#DEFINITION	Reference Metabolome for Morus alba
#IDENTTFIER	RefMeta-Morus alba.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Morus alba
#CREATION	31-MAY-2024
#PUBLICATION	CropMetabolome: a comprehensive metabolome database for major crops cross eight categories
#JOURNAL	The Plant Journal
#AUTHORS	Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X.
#COMMENT	Reference metabolome for Morus alba was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37846	1.9
71.40384	0.2
72.23257	0.2
83.01251	0.4
83.63966	0.1
89.02313	0.2
93.03329	0.3
97.48997	0.2
104.23420	0.2
107.01266	1.5
108.02061	0.7
109.02841	1.0
115.48576	0.2
121.02863	1.0
125.02293	0.3
135.00743	0.4
148.01596	0.6
151.00282	5.4
151.01480	0.3
153.01826	0.2
159.04492	0.2
163.00266	1.8
163.01511	0.3
164.01041	0.3
169.01346	0.4
178.99792	3.4
187.03867	0.4
191.05611	0.4
192.00569	0.3
199.03949	0.5
203.03268	0.3
207.14023	0.2
208.24858	0.2
209.11787	0.4
210.70775	0.2
211.03914	0.5
226.02679	0.7
227.03424	1.9
228.56161	0.2
229.05095	0.4
243.02954	5.4
244.03477	0.4
245.04567	0.7
254.02177	1.0
255.02971	15.9
256.03326	0.8
269.13968	1.5
271.02484	34.2
272.02917	2.9
273.03934	0.7
283.02518	0.7
299.01962	0.7
300.02753	61.9
301.03467	25.8
302.03711	1.7
303.03827	0.2
326.80173	0.2
381.35132	0.2
449.20340	4.0
450.20465	0.4
463.08951	1.6
505.09891	100.0
506.10184	11.1
507.10336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.587
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83116	4.7
71.58247	8.6
78.76761	4.3
78.95769	31.6
101.57674	5.6
106.84349	4.4
131.37633	4.4
152.99547	24.6
155.71184	5.7
171.00574	11.8
209.11725	5.5
222.59833	4.9
245.04300	45.6
253.21710	20.6
278.83606	5.2
442.50397	4.9
481.25720	100.0
957.45728	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68061	0.6
71.01246	1.0
71.58171	0.5
71.58549	0.7
83.01259	1.0
93.03320	0.7
106.06512	0.6
107.01275	3.3
108.02061	1.6
109.02824	0.9
121.02859	1.1
124.01521	0.8
125.02319	0.6
126.56461	0.4
135.95045	0.5
137.02330	0.6
138.01875	5.0
148.01601	1.1
151.00272	11.5
152.00850	1.6
153.01889	2.4
161.02347	0.9
163.00276	1.7
169.01358	1.9
170.01605	0.6
178.99792	7.3
179.03383	0.4
180.00111	0.6
191.05585	1.4
199.04002	0.5
201.05412	0.5
226.02663	1.3
227.03474	2.4
228.03851	0.8
229.05113	0.6
243.02991	6.6
245.04468	0.7
254.02153	1.6
255.02965	18.2
256.03445	1.4
269.00806	0.6
271.02469	33.5
272.03012	3.6
273.03992	1.1
283.02515	0.8
299.02075	1.3
300.02744	63.9
301.03467	24.5
302.03912	0.9
313.76349	0.5
335.98801	0.5
356.09467	0.6
375.05267	0.5
376.05502	0.5
389.06412	0.6
403.04443	2.0
404.04880	1.8
565.33704	0.5
585.07001	1.7
586.07227	2.6
609.14594	100.0
610.14899	11.6
747.12311	0.7
747.64307	0.5
748.12292	2.8
749.11670	0.6
779.20551	0.6
789.13422	0.5
790.13708	3.4
952.18304	2.9
953.20221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31258	2.9
69.31689	2.3
71.00889	1.0
71.01250	11.5
71.01615	1.0
72.99173	0.6
73.02805	3.6
76.80779	0.6
80.02544	0.6
83.01257	2.4
85.02805	4.5
87.00734	0.8
87.04383	0.9
89.02321	4.9
91.01768	39.4
92.02102	1.5
93.03342	1.5
95.01280	1.4
99.00784	1.1
101.02319	7.2
108.02057	1.2
109.02834	15.5
110.03149	0.8
111.00758	0.6
113.02337	9.8
119.03397	2.0
119.04889	2.4
121.02859	1.3
121.38130	0.5
121.88829	0.5
125.02325	0.6
131.03410	0.8
133.02856	1.3
135.00774	86.8
135.04372	1.5
136.01033	3.3
137.01340	0.8
137.02324	4.8
141.44214	0.5
143.03416	0.8
148.01625	0.5
149.02333	1.6
149.04448	0.6
150.03119	0.6
151.03928	0.6
153.01839	59.0
154.02158	2.5
161.02339	1.9
161.04451	4.1
163.03926	0.7
175.03824	0.7
177.01845	1.8
179.03569	0.6
179.05548	2.0
189.01910	1.0
191.05556	2.8
207.77426	0.5
255.06546	3.9
256.06985	0.6
269.04367	0.6
279.05051	1.8
297.07410	0.8
339.07181	100.0
340.07501	9.3
341.07175	0.9
341.10678	1.2
341.19702	0.6
398.22900	0.7
399.23853	30.4
400.24304	2.5
417.24936	12.2
418.25418	0.8
447.12915	2.0
459.26068	11.1
460.26190	1.0
469.64368	0.6
503.15970	0.6
514.81134	0.6
995.41876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50274	7.0
71.01254	3.5
83.01244	15.4
85.02803	2.1
87.18976	1.2
88.71618	1.0
89.02374	1.2
93.03359	2.7
95.01274	3.4
101.02325	2.2
107.01279	39.2
108.02071	1.3
108.99220	1.1
109.02827	2.3
111.00717	1.3
123.00774	1.4
123.04434	1.4
124.01553	12.1
125.02352	6.6
130.06244	1.0
133.02846	2.5
137.02345	2.6
141.13445	1.1
145.02904	1.5
149.02391	1.8
151.00281	100.0
152.01070	26.1
153.01855	34.1
155.56723	1.2
161.02368	1.8
163.00293	4.6
165.01915	1.5
167.03484	1.1
169.01364	23.0
173.04543	1.2
175.00337	1.8
177.01923	2.6
178.99791	87.4
179.98642	1.3
180.00143	2.9
181.01326	6.5
185.02203	1.1
191.05531	4.8
192.00565	1.7
193.01382	5.8
198.03227	1.8
211.03891	2.0
213.01970	1.5
215.03278	2.0
225.01865	1.2
226.02687	2.7
227.03445	5.4
241.01450	1.7
243.02892	1.9
253.01447	3.1
254.02229	3.9
255.03009	6.0
256.03564	1.4
261.40280	1.2
268.00232	2.8
269.00916	8.3
271.02591	3.0
281.00992	2.5
282.01587	2.9
283.02414	2.6
285.03955	2.0
295.02643	1.8
297.04059	1.1
299.01917	6.3
300.02686	2.1
303.06516	2.2
311.01996	1.3
315.06525	1.3
319.05911	1.5
328.47717	1.2
329.04443	2.7
330.05228	2.2
331.06131	3.0
343.06506	1.3
345.03983	3.7
345.07791	1.3
346.04584	1.4
347.05527	5.3
357.04285	2.0
359.05551	4.7
363.05151	1.7
373.03482	1.3
374.04337	1.3
375.05145	11.4
377.06778	2.5
386.04346	1.5
387.05069	3.9
388.05658	2.0
389.06787	6.6
391.04718	1.3
402.03781	9.0
403.04596	56.4
403.51620	1.1
404.05228	7.1
405.06171	6.2
415.04514	3.6
431.03986	5.4
432.04852	3.4
433.05701	4.1
483.57382	1.2
500.12915	1.3
566.04742	2.2
567.05035	2.6
585.06805	64.5
586.07245	7.9
591.23071	1.6
607.10919	2.5
747.11975	64.6
748.12695	8.1
789.13104	56.3
789.27771	2.1
790.13361	10.0
799.17114	1.7
909.17389	3.0
951.18396	39.6
951.37598	1.9
952.18530	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01240	8.9
89.02302	1.3
91.55408	1.7
93.03351	4.3
95.01260	2.4
98.20598	2.1
100.79832	1.4
101.02320	2.5
107.01276	25.6
111.00738	1.6
113.02299	1.6
123.04406	2.8
124.01548	11.6
125.02356	3.3
135.04395	11.2
137.02333	1.9
139.00279	2.1
149.02278	2.2
151.00273	78.4
151.45294	1.2
152.01073	24.2
153.01855	10.8
153.05455	2.9
161.02341	4.4
163.00273	4.5
169.01363	18.1
174.03189	1.3
175.00311	2.1
175.03951	3.8
178.99783	76.0
180.00174	1.7
181.01256	1.9
190.99741	1.7
191.05482	2.1
192.00555	4.1
193.01332	9.9
198.03192	1.5
203.03441	3.6
209.02440	1.5
211.04036	2.0
214.02574	3.0
225.01851	2.0
226.02660	4.9
227.03444	10.2
227.60544	1.5
237.01912	4.3
239.03368	2.9
241.01401	2.3
242.01965	1.8
243.02954	4.1
253.01425	4.4
254.02254	9.2
255.02942	17.5
256.03693	2.5
267.03134	2.0
269.00885	4.6
270.01712	1.7
271.02490	22.8
272.03015	2.2
281.00830	3.9
282.01511	2.9
283.02512	3.3
284.03210	6.0
285.03983	3.1
293.04639	1.7
295.02380	3.5
299.01965	3.3
300.02737	28.9
304.03830	1.5
311.01956	1.8
314.00653	1.5
321.04010	1.6
329.04681	1.4
331.06201	2.8
333.03970	1.7
345.03824	1.9
347.05505	1.7
359.05634	3.9
361.03363	3.1
361.07413	2.0
365.02521	1.6
375.05161	3.9
377.06805	2.2
387.05139	1.8
388.05789	1.9
389.02325	6.9
389.06738	5.7
390.03363	1.8
391.04715	2.1
402.03708	4.1
403.04565	23.3
404.05130	4.4
405.06058	5.5
407.04102	8.2
415.05057	2.2
417.02460	2.1
433.01669	2.9
477.14124	8.6
555.05054	1.8
567.05597	9.2
569.09485	3.2
584.05792	2.4
585.06750	47.0
586.07312	3.6
609.14624	38.0
610.15240	1.7
747.11981	72.5
748.12488	11.6
771.11804	2.0
789.13068	27.9
790.12830	2.9
909.17792	6.3
951.18396	100.0
952.18744	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01276	0.2
78.47546	0.2
78.95776	39.5
79.91153	0.2
83.04909	0.3
96.96848	2.3
98.19758	0.6
107.40370	0.2
122.00008	0.3
140.01077	2.1
152.99490	6.7
171.00548	6.4
196.03717	1.1
214.04799	3.0
230.44719	0.4
233.22736	0.4
259.20728	0.4
275.20184	0.5
277.21710	100.0
278.22055	5.3
400.22531	0.9
474.26236	75.4
475.26654	4.8
734.14978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49303	7.3
73.79363	0.8
86.57415	0.8
91.01748	1.0
91.64742	0.8
93.03349	3.3
95.69291	0.9
96.14373	0.8
103.08946	0.9
107.01258	2.9
108.02052	1.1
123.17076	1.1
129.99094	0.8
137.02338	2.3
143.04953	1.2
150.03166	0.9
151.00275	1.8
151.03915	2.5
152.01044	1.6
153.01808	1.5
159.04433	1.0
163.00296	1.5
165.01833	1.3
185.05945	1.8
187.03931	2.3
191.03940	1.0
191.05415	4.4
191.46223	1.0
197.05907	1.0
211.03917	2.7
218.07979	0.9
222.56497	1.1
227.03473	21.1
229.05026	7.5
231.27182	1.1
255.00256	2.0
255.02963	37.7
256.03531	3.5
257.04550	4.7
271.02405	1.7
284.00034	1.5
284.03265	50.9
285.04025	60.7
286.04388	4.3
300.02863	2.6
388.47617	0.9
452.66797	0.8
461.30713	1.2
505.09763	1.5
593.15118	100.0
594.15149	8.2
961.33032	1.8
969.17969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07514	1.5
70.07896	1.7
76.28933	0.7
79.32751	0.6
82.18802	0.6
83.01249	0.8
83.31714	0.6
93.03320	1.0
97.07008	0.6
97.34204	0.5
99.23055	0.6
102.47125	0.7
107.01248	1.5
108.02058	0.7
128.68251	0.6
135.00786	1.1
143.04883	0.8
151.00240	1.3
152.01042	1.1
153.01752	0.7
163.00296	1.0
166.02824	0.6
177.68056	0.6
185.05954	1.4
187.03947	2.0
189.05437	0.9
191.05449	0.6
211.03955	2.6
213.05489	1.4
227.03433	20.6
229.04982	7.5
239.03375	1.0
243.02872	0.7
250.89694	0.6
253.05106	0.7
255.02957	46.9
256.03488	5.4
257.04541	4.2
284.03259	64.4
285.04022	69.8
286.04355	3.5
489.10364	100.0
490.10712	8.0
991.36426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.347
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35523	13.3
70.17931	1.5
71.01243	3.9
73.02808	1.8
76.91507	1.5
79.90691	1.4
80.48875	1.6
85.02814	3.6
93.03327	4.9
96.95844	1.8
101.02325	2.1
108.02055	46.2
109.02839	12.1
121.02856	5.5
122.05984	3.7
128.88072	1.5
134.03604	1.9
135.04399	5.5
137.02310	2.8
151.03844	1.8
152.01059	70.3
153.01855	16.9
163.03896	2.1
165.01794	5.0
177.01816	4.0
179.03407	4.3
181.01324	2.1
191.05542	11.1
196.69293	1.4
205.03542	1.5
208.28447	2.1
210.62904	1.6
225.06488	2.6
226.07422	1.8
230.11540	1.5
237.59482	1.6
238.07446	3.6
239.04428	1.6
239.08185	3.8
241.09846	1.8
251.04803	3.0
253.06131	4.6
253.09808	3.4
254.10449	2.0
265.06168	3.1
265.09598	2.5
266.06836	4.3
267.07776	8.8
268.08194	1.8
279.07745	4.1
280.08539	5.5
281.09338	3.8
292.13000	1.5
293.09207	3.1
295.10828	3.7
297.05975	2.1
301.03232	1.8
311.10294	2.1
315.07224	14.2
319.14499	2.4
321.08820	3.6
332.10306	1.9
333.11142	2.2
334.11963	6.6
346.11926	2.5
348.13550	7.1
353.08722	4.1
360.13699	2.7
362.11081	2.7
362.15106	7.0
364.13013	5.6
369.08282	2.5
369.96826	1.7
372.13797	2.7
376.12830	2.6
376.16937	2.5
378.14578	3.8
379.15051	2.1
381.61942	1.6
388.12970	4.2
392.11926	3.2
392.16214	6.3
402.14523	3.0
406.14044	16.4
407.14609	3.8
420.15506	9.7
446.13657	2.2
458.16083	1.6
465.12744	2.4
518.13715	1.6
593.17450	1.9
749.24915	1.9
751.25928	2.2
777.23773	34.9
778.23584	3.7
782.13379	1.7
809.26141	17.1
897.31482	2.1
915.32666	4.8
941.30627	9.8
959.32062	100.0
960.32764	14.9
991.35083	18.6
992.35004	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58105	0.9
78.95776	21.0
105.20160	0.6
118.58852	0.7
122.00069	0.8
140.00217	0.6
140.01131	4.9
152.99532	1.7
191.05412	1.1
192.78339	0.7
196.03705	9.3
206.86841	0.8
214.04790	2.1
277.21542	1.0
279.23291	100.0
280.23706	4.4
335.59625	0.8
439.14233	0.6
476.27826	81.0
477.28186	5.4
525.09528	0.7
714.32330	1.0
932.93127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.589
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	6.8
71.57589	0.9
72.85011	0.6
72.99169	0.7
73.02808	1.6
76.80061	0.6
78.95763	2.3
83.87019	0.7
85.02808	2.3
87.00736	2.0
89.02323	6.9
97.02830	1.8
99.00763	0.8
101.02316	6.1
103.15488	0.7
106.67948	0.7
113.02328	3.2
116.92743	0.9
119.03381	1.8
121.10104	1.4
123.08030	0.7
125.02330	3.3
125.09612	1.5
127.11189	3.5
139.11197	6.5
143.03383	1.3
155.10672	1.6
161.04439	1.7
165.09076	0.9
171.10179	38.4
172.10504	0.9
179.05489	1.3
183.10214	2.3
183.62976	0.7
185.11755	5.6
195.46405	0.6
201.11263	6.8
235.08125	3.7
275.20120	1.8
277.21725	21.1
278.22220	1.1
293.21268	8.4
294.21527	0.9
311.22269	100.0
312.22617	7.4
397.13480	35.1
398.14050	1.0
415.14523	12.4
416.14893	1.0
474.26404	1.6
675.35938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	1.2
71.01247	1.2
71.04900	3.8
79.05428	0.5
80.05018	0.3
81.03316	1.0
81.69132	0.3
83.04906	2.5
84.02049	0.5
84.19060	0.4
85.02821	1.4
85.06462	0.7
91.05411	8.6
93.03339	2.3
95.04930	1.7
96.95864	0.4
97.02840	0.7
97.06478	2.1
101.02328	0.9
106.04129	1.1
108.02096	0.5
108.24725	0.4
109.02846	12.9
109.03604	0.6
109.06478	1.3
111.04430	2.3
113.02334	0.5
113.05953	0.4
115.07545	0.4
119.04871	0.4
121.02844	11.7
121.06482	0.9
123.04391	0.5
123.08047	2.0
125.09605	1.6
135.04416	100.0
135.07990	3.3
136.04736	2.7
137.06003	0.5
137.09576	0.5
141.09164	0.7
147.04427	5.2
150.03098	0.4
151.07549	0.7
151.11226	0.4
153.09125	2.4
155.10600	0.3
159.04448	2.2
163.11159	0.6
165.09142	0.4
167.97086	0.4
171.10188	16.4
172.10504	0.7
173.04474	0.6
177.12808	0.7
179.03464	0.4
179.99660	0.4
181.12175	0.4
183.10156	0.6
185.11752	1.6
191.05589	1.7
191.10651	0.9
193.07784	0.4
193.12270	1.0
195.13779	0.6
201.11234	0.9
202.09880	1.1
209.11777	2.8
211.13345	2.4
217.12289	17.7
218.12590	1.1
219.13867	0.4
221.11690	0.5
227.12764	1.0
235.13345	1.1
237.14935	1.0
243.17500	0.5
245.19014	1.4
249.15041	1.7
287.16534	1.8
288.16943	1.3
289.18082	3.4
305.17871	0.5
306.17749	0.5
307.19150	3.4
325.20200	62.0
326.20465	4.6
326.56934	0.4
339.15997	40.6
340.16354	2.9
384.09604	0.4
501.21310	66.3
502.21646	7.6
551.32275	0.4
663.26080	0.7
859.48340	0.4
924.77319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.4
71.01254	15.7
71.57732	1.2
72.99165	1.1
73.02821	2.7
76.80936	0.8
78.95784	3.0
83.01279	1.2
85.02827	10.2
87.00758	3.4
89.02322	10.2
94.24055	0.8
95.01276	1.7
96.95924	1.2
97.02841	2.9
97.06475	2.4
101.02316	11.0
109.02829	1.1
113.02334	6.1
119.03389	2.6
123.08192	0.8
125.02356	3.9
137.09641	1.3
143.03293	1.2
152.99490	2.5
161.04431	2.6
171.10165	14.5
179.05516	2.4
183.13818	6.1
191.47510	0.8
201.11224	0.9
211.13298	7.5
221.06613	1.5
229.14374	3.6
235.08080	4.8
245.04289	2.6
251.16507	1.2
253.09308	1.0
277.21719	25.1
278.22070	2.3
291.19669	4.5
307.19064	1.0
309.20718	7.3
323.09830	1.2
327.21762	100.0
328.22119	6.4
397.13489	42.9
398.13794	2.1
405.69186	0.8
415.14520	16.0
481.25626	4.4
506.37958	1.0
537.03656	1.0
587.44092	1.4
675.35724	1.9
707.34656	4.4
725.36438	1.6
985.57190	7.1
986.58081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.3
69.81175	1.1
71.01251	20.8
72.99189	1.8
73.02826	3.9
74.07413	1.0
75.13679	1.0
80.02555	1.4
81.03339	2.0
83.01263	2.8
83.04882	5.7
84.02042	1.4
85.02824	4.8
87.00743	5.2
88.21682	1.1
89.02316	19.5
95.01244	1.6
96.12939	1.2
97.02809	5.4
97.06474	1.9
99.00764	1.4
101.02319	18.3
113.02328	9.7
119.03381	6.9
121.02706	1.3
123.08049	1.3
125.02334	8.7
125.09604	4.0
127.11195	1.6
137.09639	11.2
139.11234	1.1
143.03360	2.3
151.03914	2.6
151.07518	5.4
152.08299	3.4
153.09174	1.9
155.10698	6.6
161.04457	2.6
171.10158	19.1
179.05493	5.2
185.11777	3.1
186.80228	1.1
191.05611	2.1
193.12227	2.8
199.09796	1.4
200.10260	1.9
209.11723	1.8
209.15375	5.6
211.13333	1.3
221.06543	2.0
223.66359	1.3
235.08182	9.1
235.95207	1.2
244.68227	1.2
247.20644	2.6
253.09326	2.7
263.20163	2.5
264.40146	1.0
265.18311	1.4
265.21664	1.4
273.18567	1.6
277.21713	56.4
278.22131	5.5
287.07739	3.2
291.19659	23.5
305.08792	3.6
307.19000	2.0
309.17126	10.8
309.20657	100.0
310.21057	6.5
323.10043	1.1
397.13470	89.4
398.13843	8.4
399.13812	1.5
415.14590	32.3
416.15115	2.7
462.45096	1.1
630.94031	1.1
782.67230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	0.6
71.01255	2.9
73.02828	0.8
83.04901	0.6
85.02824	1.5
87.00745	1.3
89.02307	1.6
89.92454	0.4
90.93221	1.0
93.03315	0.3
95.01273	0.3
96.95879	0.5
97.02817	0.9
97.06471	0.9
101.02338	2.4
106.92735	0.4
109.20654	0.3
112.32725	0.3
113.02339	1.6
117.61126	0.3
119.03394	0.6
123.08051	1.0
125.02371	1.3
125.05992	0.7
125.09626	3.8
127.11187	0.9
135.04416	1.0
135.08087	0.4
137.09637	0.8
139.11174	0.8
141.09099	1.3
143.03384	0.5
143.10658	0.4
151.07550	0.3
153.09102	1.2
153.12732	0.4
155.10670	0.9
155.14299	0.5
161.04445	0.5
165.09125	0.3
169.08557	0.4
171.10191	3.3
173.04485	0.9
179.05603	0.5
181.12160	0.3
183.13814	0.8
185.11742	0.6
191.05527	2.5
193.15840	0.3
197.11752	0.3
199.09679	3.6
200.10480	3.4
201.11273	3.7
211.13477	0.3
213.11279	1.0
215.12793	0.4
230.50322	0.3
235.08223	1.7
247.20656	4.0
253.09213	0.6
258.05130	1.1
263.20178	0.9
265.21786	1.3
273.18631	1.2
277.21713	5.6
278.21985	0.3
281.21225	1.0
287.07898	0.5
291.19699	8.8
292.19962	0.7
305.08737	0.8
307.19205	0.3
309.20703	100.0
310.21069	9.6
311.21289	0.5
329.16022	0.4
365.12888	2.1
367.15384	0.5
376.10724	0.3
397.13480	6.2
415.14536	4.1
427.24954	0.5
641.39264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87624	0.1
69.03320	0.8
71.01255	5.8
71.04895	0.2
72.99161	0.5
73.02809	1.2
75.00727	0.1
79.18167	0.1
80.92162	0.2
81.03329	0.5
83.01260	0.9
83.04911	0.4
84.02036	0.1
85.02823	1.3
87.00750	1.4
87.04353	0.2
89.02315	5.8
91.03886	0.2
95.01260	0.4
95.04896	0.2
97.02831	1.3
97.06459	0.8
99.00755	0.4
101.02319	4.8
107.08546	0.4
109.02786	0.2
109.06417	0.1
111.04398	0.2
111.08014	0.3
113.02328	2.7
115.03867	0.2
119.03389	1.7
120.76447	0.1
121.10093	0.4
123.08051	0.9
125.02325	2.1
125.05968	0.5
125.09611	3.5
127.07542	0.3
127.11199	0.9
129.01840	0.2
131.03380	0.2
135.08023	0.3
137.09601	1.0
139.03922	0.3
139.11203	1.0
141.01796	0.2
141.09116	1.3
141.12744	0.3
143.03392	0.6
143.10674	0.3
149.04460	0.2
151.07533	0.3
151.11145	0.4
153.09125	1.2
153.12773	0.9
155.10683	1.0
155.14322	0.4
157.12260	0.2
161.04475	1.2
165.09142	0.3
165.12798	0.2
167.10654	0.5
168.11476	0.2
168.91568	0.1
169.08527	0.2
169.12285	0.3
170.99789	0.1
171.10175	2.5
179.05550	0.9
179.06888	0.2
179.14383	0.3
181.12259	0.3
183.10199	0.3
183.13783	0.5
185.11647	0.8
191.05492	0.3
193.15886	0.5
195.10167	0.2
195.13657	0.2
197.11787	0.3
199.09692	3.1
199.13426	0.2
200.10484	2.6
201.11255	2.5
207.13838	0.2
209.11777	0.3
209.15498	0.2
211.16960	0.1
213.11215	1.0
214.11826	0.2
215.12859	0.5
217.07147	0.2
219.17508	0.2
221.06573	0.4
227.12856	0.3
229.41618	0.2
233.22672	0.2
235.08180	2.5
237.22159	0.2
245.19002	0.2
247.20654	3.5
248.20972	0.2
253.09282	0.5
263.07529	0.2
263.20135	1.0
265.21701	0.9
273.18536	1.1
277.21713	13.9
278.22137	1.1
279.91010	0.2
281.21182	0.7
287.07697	0.9
289.18179	0.2
291.19656	10.3
292.19946	0.6
305.08734	1.0
309.20691	100.0
310.21054	5.7
323.09726	0.3
379.12289	0.2
397.13474	23.9
398.13742	1.3
415.14554	8.4
416.15051	0.4
417.06036	0.1
675.35986	0.6
736.04736	0.2
739.20868	0.2
905.27423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	3.1
69.81268	1.0
71.01257	24.7
71.58194	1.5
72.99162	2.4
73.02814	4.1
80.02552	2.1
81.03350	2.4
83.01250	3.3
83.04877	5.5
84.02049	1.4
85.02811	4.2
87.00742	5.5
87.41593	1.1
89.02322	17.5
90.02657	1.3
95.01271	2.8
97.02824	4.9
97.06415	1.1
99.00747	2.3
101.02325	17.0
113.02328	9.3
119.03401	5.5
125.02325	8.0
125.09619	2.3
137.09641	8.4
139.11143	1.9
143.03371	3.1
151.03874	2.8
151.07516	4.3
152.08315	2.5
153.09035	1.9
155.10677	7.2
161.04457	4.3
171.10184	21.8
178.77411	1.2
179.05528	3.6
179.10638	1.1
185.11722	1.9
193.12254	1.4
199.09613	1.9
200.10411	1.6
201.11206	1.3
209.15407	5.6
211.13284	1.6
221.06572	2.8
231.18132	1.2
235.08258	9.2
247.20573	1.8
253.09256	1.5
263.20135	1.8
265.18130	2.0
265.21765	1.3
273.18570	1.9
277.21722	54.2
278.21939	4.6
287.07626	2.0
291.16339	1.6
291.19635	24.7
292.20035	1.9
298.54465	1.2
305.08749	3.7
307.18973	1.7
308.19498	1.4
309.17072	9.2
309.20657	100.0
310.20999	6.4
323.09995	1.3
397.13519	86.0
398.13815	7.4
415.14563	33.3
416.14737	1.5
517.81281	1.1
660.67029	1.3
675.35803	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	0.6
71.01255	2.9
73.02828	0.8
83.04901	0.6
85.02824	1.5
87.00745	1.3
89.02307	1.6
89.92454	0.4
90.93221	1.0
93.03315	0.3
95.01273	0.3
96.95879	0.5
97.02817	0.9
97.06471	0.9
101.02338	2.4
106.92735	0.4
109.20654	0.3
112.32725	0.3
113.02339	1.6
117.61126	0.3
119.03394	0.6
123.08051	1.0
125.02371	1.3
125.05992	0.7
125.09626	3.8
127.11187	0.9
135.04416	1.0
135.08087	0.4
137.09637	0.8
139.11174	0.8
141.09099	1.3
143.03384	0.5
143.10658	0.4
151.07550	0.3
153.09102	1.2
153.12732	0.4
155.10670	0.9
155.14299	0.5
161.04445	0.5
165.09125	0.3
169.08557	0.4
171.10191	3.3
173.04485	0.9
179.05603	0.5
181.12160	0.3
183.13814	0.8
185.11742	0.6
191.05527	2.5
193.15840	0.3
197.11752	0.3
199.09679	3.6
200.10480	3.4
201.11273	3.7
211.13477	0.3
213.11279	1.0
215.12793	0.4
230.50322	0.3
235.08223	1.7
247.20656	4.0
253.09213	0.6
258.05130	1.1
263.20178	0.9
265.21786	1.3
273.18631	1.2
277.21713	5.6
278.21985	0.3
281.21225	1.0
287.07898	0.5
291.19699	8.8
292.19962	0.7
305.08737	0.8
307.19205	0.3
309.20703	100.0
310.21069	9.6
311.21289	0.5
329.16022	0.4
365.12888	2.1
367.15384	0.5
376.10724	0.3
397.13480	6.2
415.14536	4.1
427.24954	0.5
641.39264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	16.1
71.38383	3.8
73.02826	3.2
78.95782	2.1
85.02821	4.8
87.00763	4.4
89.02321	11.6
95.01270	2.4
95.04891	1.7
96.95904	4.6
97.02858	2.8
99.00796	2.0
101.02328	11.3
111.08010	1.8
113.02358	3.9
116.68871	1.4
119.03420	2.8
121.06506	2.5
123.04388	4.5
123.08067	10.1
125.02402	2.6
125.09616	5.5
139.11191	6.3
149.05962	2.7
149.09659	1.6
151.11238	4.5
155.14355	2.6
177.12863	2.2
179.05438	1.6
199.13351	21.7
201.11226	4.7
201.67838	1.7
213.11298	4.0
221.11787	2.8
222.69638	1.5
235.08145	1.8
238.12212	1.9
239.12808	2.1
245.19141	7.2
271.16949	3.2
277.21722	27.4
287.16486	1.6
289.18097	39.2
290.18521	2.3
291.19672	5.2
306.81815	2.0
307.19153	56.4
308.19485	2.5
309.20850	2.6
325.20154	5.0
331.19272	3.5
370.43875	2.0
397.13577	11.9
415.14383	4.0
438.45456	1.7
452.25757	1.7
705.33282	10.8
723.34088	6.8
826.97430	1.9
983.55853	100.0
984.56122	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	2.1
70.75469	4.3
70.75837	3.7
71.01254	15.7
72.99226	2.3
73.02808	2.8
78.95788	2.4
85.02820	5.2
87.00755	4.3
89.02295	9.7
96.95896	28.5
99.00775	2.0
100.78690	1.9
101.02335	10.2
104.66254	1.7
109.06453	1.8
111.07993	2.3
111.26506	1.6
113.02328	4.6
121.06486	2.1
123.04414	3.2
123.08065	5.1
125.02316	3.4
125.09603	2.8
139.11185	5.2
142.02554	2.1
151.11224	3.9
152.99506	4.2
171.10204	2.6
191.05574	2.3
199.13347	13.2
201.11267	4.0
213.11336	4.4
221.06635	2.6
221.11812	3.1
238.12094	3.8
245.19128	7.3
277.21713	26.2
282.91708	1.8
289.18088	36.4
291.19855	3.5
293.21158	17.8
294.21640	6.5
307.19122	48.1
307.22571	3.0
308.19315	2.9
309.20807	2.5
325.20276	4.5
397.13370	13.9
415.14496	3.1
547.12396	2.3
621.63763	2.0
626.64886	1.8
705.33728	12.6
723.34180	4.4
728.57941	2.2
769.79504	2.4
983.56244	100.0
984.56525	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.8
71.01250	26.3
72.99178	2.7
73.02824	3.2
81.03347	1.6
83.01250	3.1
85.02825	9.3
87.00758	7.0
89.02312	22.5
91.03856	1.8
93.03353	1.9
95.01213	2.2
96.95909	2.4
97.02837	4.9
97.06442	3.2
99.00738	2.9
101.02316	19.1
106.04121	2.1
113.02334	12.5
119.03388	5.8
121.06468	4.6
123.08035	1.8
124.69414	1.5
125.02357	10.1
125.09602	4.0
135.04417	1.8
135.08043	2.9
143.03407	3.9
151.11153	3.5
153.09167	3.1
161.04477	7.7
165.12773	1.7
171.10181	18.8
179.05472	5.0
181.12224	2.2
185.11729	19.9
191.05437	3.9
191.10625	2.6
209.11778	12.0
209.33661	1.5
210.51311	1.8
221.06410	1.8
227.90709	1.7
235.08185	11.5
245.18999	4.7
253.09279	3.9
263.20111	4.0
277.21713	65.4
278.21985	2.4
287.07724	3.4
289.18060	5.2
305.08728	3.8
307.19141	26.6
308.19281	2.1
323.09460	2.1
397.13492	100.0
398.13806	6.9
415.14581	38.6
499.10626	1.8
592.45361	2.0
592.55414	1.7
675.35931	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	4.2
71.01259	25.2
73.02794	3.7
78.84995	1.4
78.95782	4.7
81.03331	3.0
83.01258	7.5
83.04922	2.8
85.02834	5.7
87.00734	7.3
89.02318	23.7
93.03297	2.3
95.04930	2.5
97.02841	6.1
97.06431	2.3
99.00780	2.6
101.02339	19.3
109.02850	2.1
109.06496	2.2
113.02322	8.9
118.58820	1.5
119.03384	7.7
120.54991	1.5
121.06505	2.2
123.04408	5.1
125.02352	11.8
125.09614	7.1
135.08006	1.4
137.06052	1.7
137.09628	3.5
143.03380	5.4
152.99533	1.7
161.04456	5.1
163.11191	8.4
171.10190	1.9
179.05534	5.6
181.12247	2.3
185.11740	7.9
191.05528	3.6
191.10727	2.3
191.14337	7.0
194.30667	1.7
207.10175	5.0
209.11771	39.1
210.12184	1.9
225.11301	4.4
235.08188	11.3
245.19080	13.3
253.09274	1.9
271.17017	1.9
277.21729	54.6
278.21915	2.5
287.07745	4.5
289.18106	44.3
290.18439	3.1
305.08817	6.1
307.19153	45.7
307.22635	3.2
308.19479	2.4
397.13480	100.0
398.13959	5.2
409.11362	1.7
415.14597	38.0
423.19437	1.7
497.97787	1.7
663.21027	1.9
675.36145	3.5
718.34625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.247
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	0.2
69.70662	1.0
69.71063	0.3
70.12617	0.1
71.01257	1.1
72.99182	0.2
73.02809	0.3
78.95755	0.2
80.02541	0.4
85.02826	0.4
88.52381	0.2
89.02338	0.3
91.01774	35.5
92.02100	0.7
93.03333	0.7
95.28323	0.1
96.95885	0.5
98.20398	0.4
101.02336	0.4
103.03889	0.6
108.02039	1.4
109.02841	14.0
110.03148	0.3
111.00700	0.2
113.02337	0.4
121.02841	0.9
123.04444	0.8
125.02296	0.3
133.02843	1.2
135.00781	82.3
136.01202	1.4
137.02344	3.0
144.16074	0.2
145.03041	0.2
147.04410	0.2
149.02330	1.1
151.03857	0.5
152.01065	0.5
153.01846	56.3
154.02220	1.2
161.02376	1.3
163.03893	0.4
173.04539	0.4
174.03238	0.2
175.03894	0.4
177.01852	1.5
179.03476	0.2
189.01900	1.3
191.05545	1.3
200.98909	0.2
207.02858	0.2
243.06564	0.8
244.76746	0.2
279.05139	1.5
297.06143	0.7
339.07199	100.0
340.07492	5.0
399.23950	0.4
447.12793	0.7
448.13785	0.2
449.14670	0.2
481.57281	0.2
557.13519	0.2
873.60577	0.2
983.45862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	0.5
71.58012	0.2
71.58434	0.3
81.71095	0.3
83.01276	0.6
93.03333	0.4
96.95809	0.3
101.02337	0.4
107.01255	2.1
108.02057	1.5
108.12486	0.3
109.02837	0.9
113.02291	0.3
115.31929	0.3
121.02814	0.8
123.04423	1.1
135.00813	0.6
138.05672	0.3
148.01587	1.1
151.00291	5.2
163.00270	0.8
164.01093	0.5
169.01279	0.9
173.04506	0.3
174.03099	0.4
178.99757	4.3
191.05550	1.0
198.03168	0.3
199.03947	0.8
211.03946	0.4
216.04288	0.6
226.02678	1.5
227.03482	2.1
228.03848	0.3
229.01437	0.3
231.46332	0.3
243.02980	9.4
244.03442	0.4
254.02242	1.5
255.02974	22.3
256.03348	1.3
257.04684	0.4
271.02478	49.7
272.02988	4.1
299.01953	3.1
300.02744	100.0
301.03348	12.0
302.03757	0.6
305.46368	0.4
325.03659	0.3
343.04849	0.5
366.53555	0.3
445.07736	0.5
463.09012	0.7
571.09375	0.3
625.14087	98.3
626.14459	10.3
808.40302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95771	33.8
82.53933	0.2
83.45425	0.2
85.35349	0.2
96.96825	2.6
98.20592	0.5
150.97978	0.5
152.99484	45.9
153.99791	0.5
171.00549	12.8
206.44667	0.3
217.90051	0.2
227.03224	2.8
229.86642	0.3
245.04276	62.8
246.04655	1.4
253.21695	30.5
254.22096	1.5
255.23257	1.1
256.23547	0.3
438.39594	0.3
480.30801	0.6
481.25693	100.0
482.26019	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	92.0
72.99181	6.2
73.02827	37.9
75.00709	3.0
82.19695	3.1
83.01264	11.9
85.02837	35.0
87.00780	5.6
89.02322	85.2
93.03333	6.7
95.01269	7.2
96.07776	3.4
96.95861	3.6
99.00771	22.9
101.02325	88.0
109.02805	3.9
113.02338	39.5
119.03377	13.0
119.04948	3.5
122.03645	3.5
125.02316	8.6
131.03378	12.1
135.04417	5.7
137.02338	5.4
143.03374	8.9
149.04460	60.2
151.00314	4.6
161.02406	4.2
161.04478	29.8
167.12944	3.5
173.04480	5.5
179.03363	3.9
179.05702	3.4
191.05528	33.4
203.05556	3.7
205.12300	50.5
209.08020	4.0
221.06494	7.0
229.84457	3.6
251.07614	5.8
283.10703	3.4
293.08881	3.1
311.09793	3.4
369.19162	17.8
371.20782	4.3
387.20248	50.8
388.20392	4.4
427.19672	5.8
429.21335	100.0
430.21588	4.7
460.34152	3.7
473.20483	4.4
503.24786	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	1.4
69.49670	0.3
71.01254	15.9
72.99175	1.5
73.02811	2.1
75.00750	0.4
81.03333	0.6
83.01250	1.8
83.04889	0.3
85.02825	3.6
87.00751	3.4
89.02316	13.5
91.03909	0.3
95.01257	1.5
97.02837	2.7
98.19823	0.6
99.00758	0.7
101.02322	13.7
101.27444	0.3
109.02790	0.5
111.04412	0.5
111.08026	0.5
113.02331	6.7
113.09586	0.3
119.03384	3.9
121.02885	0.4
125.02356	5.3
131.03380	0.7
133.04956	0.6
137.02266	0.3
139.03850	0.6
143.03406	2.8
149.04454	0.7
157.55089	0.3
161.04462	3.2
165.61494	0.3
167.03340	0.3
171.10188	0.4
177.12619	0.3
179.05533	3.0
179.14334	0.8
195.13837	8.3
196.14529	0.6
205.12256	0.6
205.15948	0.5
211.13321	0.3
217.07091	0.4
220.71147	0.3
221.06680	1.2
223.13356	5.3
224.13797	0.4
228.13580	0.9
229.43965	0.4
231.21101	0.4
235.08209	6.6
245.06728	0.6
249.22246	0.4
253.09254	1.3
256.13107	1.2
263.07678	0.9
265.21759	0.5
275.20157	4.4
279.23288	48.3
280.23682	2.6
287.07678	2.1
293.21222	100.0
294.21567	5.2
305.08707	2.9
323.09854	0.8
379.12332	0.7
384.01862	0.3
397.13492	67.8
398.13824	2.8
415.14551	24.3
416.15030	1.1
579.73114	0.3
677.37506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	2.4
70.33620	1.4
71.01257	10.1
72.35507	0.5
72.99174	0.8
73.02449	0.4
73.02817	1.8
79.63474	0.4
81.03307	0.5
83.01259	1.4
83.04882	0.4
85.02826	2.8
87.00751	1.7
88.82484	0.4
89.02321	8.1
93.03378	0.6
93.11180	0.4
93.23888	0.4
95.01276	1.0
96.95886	0.8
97.02828	1.6
98.19945	0.6
99.00778	0.5
101.01699	0.6
101.02334	7.6
109.06519	0.4
113.02348	3.5
119.03384	1.9
119.08559	8.2
121.02852	0.5
121.10126	0.7
123.08020	0.4
125.02324	3.1
125.09590	3.4
127.11174	1.7
132.72476	0.4
133.04948	0.5
135.04443	0.9
135.08076	1.0
137.09627	11.2
138.10028	0.5
139.11169	0.8
143.03465	1.0
145.46805	0.5
149.09634	0.8
151.11119	0.5
153.09145	1.0
155.10690	2.4
161.04466	1.7
167.03484	0.6
167.10732	2.0
171.10188	35.3
172.10544	1.3
179.05547	1.9
183.10173	1.7
185.11758	11.0
191.05539	0.9
195.10080	0.6
197.11671	0.7
201.11217	2.5
211.13268	0.7
213.11249	3.3
218.71935	0.5
222.50578	0.5
229.19551	1.7
235.08138	3.6
253.09245	0.5
263.20157	21.6
264.20474	1.2
273.18582	3.6
287.07773	1.0
291.19650	12.4
292.19971	0.9
305.08716	1.5
309.20709	100.0
310.21106	8.4
397.13492	31.8
398.13702	1.7
415.14551	12.5
416.14667	0.7
554.19263	0.5
625.33710	0.7
643.35437	0.8
661.34851	1.4
956.95850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	3.0
73.02819	1.0
75.90833	0.7
83.04913	0.8
85.02831	1.6
89.02310	1.9
89.62760	0.8
93.03312	6.6
95.01256	1.4
96.95907	1.4
98.19708	1.6
107.01335	1.0
107.04884	1.1
108.02071	5.4
109.02863	5.5
111.00748	1.1
113.02321	1.2
121.02839	7.6
122.03635	18.7
123.00754	1.7
123.04401	1.8
124.01531	0.8
124.59409	0.8
125.02363	1.6
132.02023	1.8
133.02875	2.6
134.03656	3.7
135.04410	3.8
136.01585	6.3
137.02351	8.1
145.02895	1.7
146.03630	2.0
147.04411	1.3
148.01598	0.9
149.02351	33.3
149.05968	3.8
150.03133	100.0
151.00279	2.6
151.03934	19.7
152.01022	3.5
152.04576	1.1
153.01797	5.1
153.05470	0.8
161.02351	2.7
161.06000	1.8
162.03215	0.8
163.03926	0.9
164.04747	6.9
165.05487	85.7
166.02592	9.7
166.05844	2.4
167.03366	2.4
173.04465	1.9
175.03944	1.6
176.01172	1.0
177.01845	1.3
177.05487	4.1
179.03426	2.3
179.07030	9.0
180.04207	7.3
181.05002	11.9
187.03850	1.1
191.04019	0.8
191.05524	6.2
193.04942	1.9
195.06563	43.4
196.06975	1.2
205.04985	3.3
219.06560	2.4
220.07335	3.1
279.05096	1.3
285.04257	1.1
294.72311	0.7
297.06247	1.2
329.10403	1.4
339.07245	1.9
340.07602	1.0
373.12894	1.6
387.14502	3.5
401.12134	1.1
403.13712	1.3
417.15561	8.1
421.15057	1.3
485.37256	0.9
535.16248	1.0
550.18585	1.0
564.19739	2.7
565.20795	23.0
566.21155	3.0
595.21912	3.4
613.23022	10.0
614.23260	1.7
619.22009	1.6
667.24432	0.9
713.25952	17.7
714.26324	2.8
743.27039	8.3
761.28296	13.9
762.28235	4.2
773.27869	2.2
791.29376	6.4
809.30225	15.8
810.30890	3.6
971.33911	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.0
71.01264	2.3
71.58166	0.7
71.58550	1.1
73.02830	0.7
83.01250	0.9
84.06451	0.7
85.02830	2.4
87.00742	0.8
89.02320	1.5
93.03337	6.9
95.04875	0.9
96.95905	3.0
97.02861	0.7
101.02300	1.1
107.04900	0.9
108.02058	3.6
109.02842	5.9
113.02341	1.4
116.39531	0.7
121.02846	9.5
122.03632	16.6
123.00745	1.2
123.04393	2.3
124.01568	1.1
125.02347	1.4
132.02039	1.7
133.02856	2.8
134.03632	3.3
135.04443	4.8
136.01567	7.3
137.02333	8.7
139.03908	1.2
145.02872	1.1
146.03658	2.1
147.04436	1.5
149.02354	34.8
149.05937	4.0
150.03131	100.0
151.00256	4.1
151.03923	17.9
152.01056	3.6
152.04613	1.1
153.01874	4.1
153.05397	0.9
159.04449	0.8
161.02362	3.1
161.05969	1.0
162.03149	2.0
163.03941	1.4
164.04701	7.4
165.01816	2.3
165.05490	86.4
166.02634	8.1
166.05786	3.2
167.03345	2.0
169.89856	0.7
170.21222	0.7
173.04494	1.5
175.03838	0.9
177.01845	1.9
177.05467	3.7
178.02588	0.9
179.03435	2.4
179.07057	7.1
180.04236	6.2
181.04980	12.1
182.05272	1.0
184.03725	1.4
187.03931	1.7
190.02618	0.8
190.06197	1.0
191.05522	7.1
193.04973	2.0
195.06561	38.0
196.06914	1.7
204.04179	0.7
205.05009	2.8
205.08652	0.8
207.06543	1.5
219.06578	1.9
220.07376	3.1
220.48767	0.7
252.06863	0.7
279.05167	0.8
299.37027	0.8
315.08978	0.9
329.10458	1.4
339.07318	0.8
355.11890	0.8
357.13635	1.1
373.12885	1.9
387.10336	1.2
387.14587	2.5
401.12781	1.0
402.13062	1.6
403.13965	0.8
416.14822	1.2
417.15430	9.0
453.98697	0.7
517.14716	0.9
535.16284	2.1
549.18182	1.0
550.18597	1.6
564.19897	1.8
565.20782	23.1
566.21576	3.2
595.21619	3.2
612.22424	1.2
613.23016	10.3
614.23199	1.1
619.22083	2.0
667.23901	1.5
713.26123	14.1
714.26202	1.6
743.27307	8.0
744.26971	1.3
761.28131	15.1
762.28064	3.4
773.28748	2.3
791.28381	5.1
792.29309	0.9
809.30463	15.4
810.30774	2.6
923.32703	0.9
927.90442	0.8
971.33282	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.8
68.00536	0.3
69.27345	3.6
71.01257	2.9
73.02818	0.9
79.23059	0.3
79.37105	0.4
81.03337	1.4
83.01251	2.0
85.02827	1.8
87.00760	0.8
89.02306	0.9
93.03337	4.3
94.60966	0.3
95.01289	0.6
96.95865	0.5
99.04398	11.0
100.04764	0.4
101.02324	10.1
108.02039	1.3
109.02842	1.6
111.04390	0.7
113.02333	1.2
119.03369	0.4
119.04975	0.5
121.02832	1.9
122.03638	1.5
123.00782	0.8
123.04405	0.6
124.01539	0.4
125.02339	12.1
134.03661	1.9
135.04404	1.3
136.01561	59.8
137.02417	2.2
143.03416	0.7
143.41812	0.4
149.06018	0.5
151.03914	100.0
152.01064	0.6
152.04272	2.9
153.01816	0.7
159.04434	1.1
160.05214	0.9
161.02361	0.8
161.04497	2.2
161.05666	0.4
162.03117	0.9
163.03873	0.8
165.01857	0.6
173.04486	4.3
173.05864	0.6
175.03917	0.6
175.07550	1.2
176.04663	0.6
177.01819	0.6
177.05539	0.7
178.02754	0.4
179.03372	1.4
179.51181	0.3
180.04135	0.9
189.05513	0.7
191.05524	3.9
191.06952	0.4
195.06520	0.9
208.58638	0.4
247.13374	0.4
305.08731	0.5
311.12842	1.1
342.11017	4.4
343.11801	1.1
357.13425	97.9
358.13748	7.6
373.18503	0.5
429.20975	0.4
449.14597	0.4
467.15482	4.1
501.17682	2.9
502.17831	0.4
506.00772	0.4
519.18646	6.9
520.19159	0.8
543.18378	0.4
547.18469	0.4
561.19745	6.1
562.20569	0.5
583.97473	0.4
601.23096	2.6
825.28198	6.5
826.29102	1.0
867.29285	2.5
907.32379	1.0
908.32635	0.4
917.20410	0.4
969.32581	9.7
970.32611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63435	5.4
69.63862	2.9
71.01257	2.5
83.04911	1.4
85.02831	1.4
93.03331	3.7
95.04905	1.8
96.95885	1.8
98.09690	1.0
98.19861	1.4
100.03331	1.0
107.04922	1.0
119.04864	1.5
119.08534	6.6
121.06433	1.4
121.10107	1.4
123.08013	1.3
125.09585	1.9
135.04456	1.4
135.08023	2.0
137.09605	13.1
147.08022	2.2
149.09618	5.9
171.10179	9.0
185.11743	3.9
191.05582	1.6
219.03368	1.2
223.02792	1.6
225.04417	3.9
227.05960	11.4
239.05954	2.0
241.07552	3.6
242.04729	2.3
245.01590	1.2
245.19064	2.0
265.07495	1.9
271.05243	1.6
273.18579	1.4
279.09280	1.2
281.07059	6.4
295.08594	3.8
309.10239	2.5
309.20746	1.9
319.12329	1.1
323.11761	3.5
327.12750	1.5
329.14386	3.7
333.10016	1.4
335.15515	2.3
345.13766	1.7
347.15335	6.8
351.14783	1.5
365.16214	1.1
377.16513	2.0
381.15958	16.4
395.17514	12.1
401.16391	3.6
409.19260	1.6
429.19235	2.8
483.24438	1.6
499.23846	1.5
501.25366	55.6
502.25558	5.2
515.26910	10.6
519.26440	22.9
520.26556	1.5
603.33649	5.0
621.34735	91.0
622.35095	10.5
639.35779	100.0
640.36151	13.9
657.36877	44.5
658.37054	6.4
683.34332	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5818
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	3.8
78.95782	0.8
86.66131	0.8
93.03327	1.3
99.20175	0.7
112.78893	0.8
143.03612	0.9
171.10150	0.9
188.54768	0.8
191.05447	1.9
201.11243	2.3
240.90428	0.8
243.05495	1.1
257.07028	6.0
269.07117	1.2
270.04221	1.0
271.05054	4.2
277.07669	1.0
283.08624	1.1
284.05725	1.2
285.06461	1.2
295.08545	1.0
298.07239	1.3
307.08371	1.0
309.06540	2.1
309.20624	1.9
310.07343	7.7
311.08023	2.3
324.08865	1.8
333.10172	2.6
337.09683	1.8
338.10306	1.5
351.11072	1.2
351.15051	1.7
362.14142	2.7
365.12598	1.5
365.16595	1.3
368.15094	1.9
373.13412	1.4
379.14127	2.3
380.15161	1.0
381.15976	2.2
389.15866	0.9
392.16238	0.9
393.15936	1.2
401.16370	2.0
407.17667	1.7
411.17178	5.2
419.17542	1.6
421.15503	1.3
430.49222	0.8
438.15564	1.4
439.16827	5.1
440.17279	2.9
443.17719	2.2
453.18030	2.6
460.26093	0.9
461.18536	9.8
479.19638	12.2
480.19751	1.0
530.25635	6.0
547.25513	4.5
548.26642	100.0
549.26868	12.9
562.28168	2.7
630.54590	1.0
639.35907	1.4
657.36816	82.3
658.37097	13.4
960.83215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.7
79.04278	0.3
83.04906	0.5
83.54409	0.3
87.94631	0.3
93.03287	0.5
97.06387	0.3
98.20507	0.7
108.05688	0.5
119.08536	1.1
125.09607	1.4
125.89127	0.3
127.11160	0.9
132.98053	0.4
135.08038	0.7
137.09628	8.2
138.09937	0.4
153.09244	0.5
171.08766	0.6
171.10184	10.0
171.11624	0.6
172.10515	0.5
183.10713	0.3
191.05557	1.4
223.02759	0.7
225.04434	3.7
227.05988	8.1
242.04668	1.2
267.09167	0.5
269.03522	0.4
295.12274	0.4
307.12503	0.4
309.20688	0.7
323.11658	0.9
325.13156	0.4
335.15424	4.6
337.17007	2.0
345.13828	0.5
347.15399	15.9
348.15698	1.3
351.14993	0.5
353.16339	0.6
363.14661	0.4
365.16522	0.4
379.14261	0.7
381.15936	100.0
382.16269	7.2
383.17542	0.5
391.14584	0.4
410.15955	0.5
501.25339	1.7
519.26404	45.5
520.26678	5.0
534.25293	0.5
592.01886	0.4
639.35986	1.3
657.36853	38.0
658.37341	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61720	2.0
70.62052	0.8
71.01250	1.6
83.04914	1.3
93.03330	1.8
95.04932	1.2
96.95879	1.7
97.02824	1.1
119.08553	2.5
121.06499	0.8
125.09614	1.5
127.11140	1.1
135.04367	1.3
137.09625	31.1
149.09645	1.0
171.10191	12.4
173.04402	1.0
185.11731	1.4
191.05522	3.4
209.11803	1.6
223.02856	1.8
225.04364	4.5
227.06004	10.9
237.04486	0.8
238.67262	0.9
239.02359	0.8
239.05942	1.9
241.07384	1.3
242.04709	1.1
269.03467	0.9
271.05038	1.6
281.07114	4.0
283.02405	1.9
309.10202	1.6
323.11685	0.9
325.60907	0.9
329.14407	1.1
335.15445	4.5
337.16974	1.6
347.15433	7.3
351.18448	0.9
381.15936	100.0
382.16284	6.4
395.12335	1.5
395.17438	13.8
397.19046	1.7
421.19043	1.7
455.24487	0.9
483.24420	2.1
501.25369	62.9
502.25751	6.9
515.27026	2.2
519.26416	21.7
519.34210	1.1
520.26648	2.8
621.34857	12.0
622.34796	1.4
639.35754	17.1
640.36237	2.8
657.36932	17.0
658.37067	1.9
935.43964	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99679	0.6
69.03313	1.3
71.01254	26.9
72.99166	2.3
73.02810	4.3
75.00768	0.8
81.03347	1.1
83.01250	3.2
83.04925	0.7
85.02822	6.5
87.00746	6.2
89.02316	23.3
93.03324	0.9
94.88328	0.5
95.01250	2.0
95.04901	0.8
95.77132	0.5
96.95903	1.8
97.02826	4.3
98.20662	0.9
99.00742	1.8
99.04404	0.6
100.14685	0.6
101.02322	24.2
109.02878	0.6
111.04417	1.0
113.02329	10.9
113.03071	0.9
115.03908	0.7
119.03389	6.7
121.02822	0.8
125.02330	9.1
131.03375	1.0
133.04984	0.6
139.03911	0.7
143.03377	4.0
149.04471	0.6
150.10413	0.7
152.36128	0.6
161.04474	5.7
165.12753	10.9
165.14101	0.9
167.03395	0.9
179.05560	4.8
187.80042	0.6
191.05562	0.8
194.34709	0.5
199.05946	0.8
217.07031	0.8
221.06599	1.7
229.27216	0.8
235.08209	10.4
245.06465	0.7
247.20605	5.8
248.20975	0.8
253.09360	3.2
263.07706	1.4
273.18466	2.7
277.09338	1.0
277.21716	64.0
278.22021	3.5
287.07645	2.8
291.19656	37.3
292.19977	1.6
305.08759	4.5
323.09760	1.7
357.67767	0.6
361.11450	0.7
379.12463	0.9
397.13486	100.0
398.13806	5.0
415.14563	36.6
416.14896	1.4
675.35870	1.9
676.36316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23516	2.6
83.01260	0.5
85.02800	0.4
89.02282	0.3
93.03299	0.3
100.29704	0.2
101.02328	0.5
103.41850	0.2
107.01254	1.0
108.02044	0.8
109.97746	0.2
113.02360	0.3
121.02825	0.2
132.02084	0.5
135.00757	0.5
135.04456	0.3
143.04903	0.2
148.01593	0.4
151.00284	3.2
163.00301	0.6
164.00987	0.4
169.01318	0.7
178.99818	1.6
183.04352	0.4
187.03882	0.3
191.05550	0.3
199.03973	0.4
211.03911	0.8
213.05542	0.4
215.03426	0.3
226.02661	0.7
227.03453	16.4
228.03899	0.8
229.05016	1.0
239.03535	0.4
240.04182	0.2
243.02939	4.6
244.03525	0.4
254.02277	1.0
255.02965	37.2
256.03461	3.0
257.04550	1.2
269.10297	0.4
271.02466	24.4
272.02960	2.0
283.02435	1.2
284.03253	40.3
285.03976	11.8
286.04382	0.4
299.02036	0.8
300.02734	51.9
301.03250	4.6
309.04089	0.4
311.11136	0.3
312.80679	0.2
327.04916	0.3
362.85162	0.2
429.08249	0.8
447.09323	0.7
609.14581	100.0
610.14948	9.9
610.25146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29875	1.9
69.30302	1.7
71.01261	1.6
73.02793	0.6
74.51312	0.3
81.03329	7.4
83.04896	15.3
85.02812	1.1
87.00775	0.6
89.02312	0.5
93.03334	0.7
98.19819	0.6
101.02334	0.6
108.02057	0.3
108.04384	0.5
109.02814	0.7
113.02318	0.5
121.02843	0.4
125.07094	0.8
126.05511	0.6
133.02831	0.5
135.04378	1.1
137.02353	0.8
151.03842	0.5
152.01053	0.5
153.01756	0.5
161.02356	0.5
161.04466	0.4
173.04446	1.0
179.03429	0.5
191.05544	2.6
192.05858	0.4
207.14957	0.9
224.17696	2.4
225.16028	10.6
232.21292	0.4
242.18797	0.4
255.02992	0.5
309.21722	0.9
324.26395	0.6
333.22946	0.5
341.29239	1.0
367.27182	0.6
371.59186	0.4
433.31732	1.1
450.34341	1.1
451.32822	7.0
452.32944	0.9
567.46332	0.6
677.49683	0.9
783.38806	0.4
791.60590	0.4
885.64923	0.6
903.66492	100.0
904.66754	18.6
906.46429	0.4
934.77698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80687	18.2
71.01270	4.1
83.39077	2.9
85.02829	13.2
87.00757	3.7
93.03336	11.4
98.19755	4.2
111.76709	3.7
121.02847	8.7
129.98517	3.1
133.02856	12.1
135.04417	5.8
138.69409	3.1
173.04456	5.5
191.05528	50.0
192.24400	3.3
195.04179	3.4
211.03993	4.4
215.05528	3.6
223.03972	17.8
239.03448	16.7
241.05305	4.0
266.02094	7.5
267.02924	38.1
279.02991	9.2
280.03665	4.3
283.02118	4.3
285.04025	5.4
295.02548	8.9
298.53525	3.1
303.06683	3.5
331.06134	4.1
342.05203	3.6
343.05878	4.4
347.05606	3.7
351.07199	12.9
353.04291	3.6
359.05621	7.4
371.05685	7.6
387.05078	12.7
388.05927	8.6
416.05426	84.5
417.06097	45.1
418.06381	3.3
434.06531	16.6
435.06870	6.1
460.04254	3.9
522.08624	3.5
666.81769	3.4
725.17242	100.0
726.17505	20.9
731.09143	4.1
743.18365	22.5
769.16034	41.6
770.16809	8.9
961.22424	48.2
962.22620	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	2.3
69.63822	1.8
69.64224	7.3
71.01253	74.6
72.99193	3.1
73.02821	29.4
75.00714	1.1
83.01255	12.5
83.04887	2.2
85.02826	26.8
87.00769	2.6
89.02319	25.0
93.03322	1.4
95.01274	6.1
96.95910	1.5
97.02843	2.9
99.00758	9.0
99.04383	2.0
101.02321	55.2
113.02322	26.3
119.03386	7.3
125.02359	5.2
131.03391	3.5
133.66185	1.1
135.04448	2.3
137.02307	1.7
143.03352	4.9
149.04462	7.2
151.03906	4.7
159.02882	3.8
161.02446	1.4
161.04477	24.3
179.03430	1.1
179.05540	4.5
191.05518	12.8
203.05548	6.8
209.15292	6.5
211.06412	1.3
221.06616	2.8
309.15042	1.4
371.20752	24.4
413.21814	24.9
414.22220	3.0
503.24973	100.0
504.25406	9.7
769.29749	1.7
953.36859	1.3
961.34998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	2.5
69.49960	1.3
69.62726	7.7
69.63142	2.8
71.01254	100.0
72.99172	6.6
73.02821	36.3
75.00726	1.4
75.69694	1.4
80.58643	1.4
83.01254	14.1
83.04877	1.4
85.02818	27.0
87.00764	2.7
89.02318	82.6
92.59268	1.4
93.03345	3.4
95.01247	4.7
96.95882	2.0
97.02817	2.3
99.00758	28.5
99.04434	2.1
101.02324	75.4
109.02831	1.8
113.02337	26.6
119.03384	6.0
121.02807	2.4
125.02323	6.0
131.03381	16.3
135.04417	4.0
137.02345	2.1
143.03416	8.7
149.04471	71.4
151.03920	2.7
161.04494	27.4
161.05849	2.9
173.04462	2.6
177.02084	1.5
179.03419	1.5
179.05496	5.5
191.05550	24.2
203.05525	11.4
209.15396	4.9
221.06602	12.0
251.07726	3.4
293.08603	2.5
301.10614	1.5
311.09698	4.6
315.13150	1.6
371.20746	12.6
413.21808	23.7
414.22046	3.7
487.68869	1.5
503.24783	3.6
523.00452	1.3
549.51202	1.4
652.97351	1.6
694.67926	1.8
740.86316	1.6
959.31287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07070	0.9
78.95777	6.2
85.49649	0.3
92.40122	0.3
97.82404	0.3
110.98412	4.9
112.95407	0.3
127.07568	0.3
151.01384	0.3
152.99449	0.4
167.01051	1.5
185.02145	3.8
207.06569	0.3
211.69101	0.3
233.22633	0.7
259.20593	0.4
275.20044	0.6
277.21719	100.0
278.22076	6.6
385.16321	0.3
445.23590	36.5
446.23944	3.4
498.72528	0.3
524.35345	0.3
591.44073	0.4
901.34869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30008	1.6
69.30421	3.5
85.02846	0.6
89.02316	2.3
93.03347	1.5
98.20510	0.8
101.02317	1.8
107.01256	1.5
109.02898	0.6
113.02336	1.2
119.03370	1.1
132.02095	0.9
135.00838	0.9
143.04912	0.5
151.00243	1.5
153.01787	0.7
159.04427	0.6
163.00246	1.3
164.00961	0.9
179.05486	0.5
185.06012	1.2
186.10403	3.2
187.03906	2.0
189.05505	0.8
191.05484	0.6
195.04445	0.9
197.05933	1.0
199.03838	0.7
201.12782	6.3
203.10294	0.5
211.03909	2.3
213.05504	1.8
227.03442	21.4
228.03860	1.0
229.05016	8.2
230.05437	0.9
239.03363	1.2
240.03815	0.6
241.04906	0.8
245.11783	4.5
255.02969	47.9
256.03543	4.4
257.04535	5.3
267.03094	0.9
284.03259	73.8
285.04016	74.7
286.04294	3.2
425.18225	12.5
426.18497	0.9
464.94876	0.5
489.10370	100.0
490.10626	8.0
570.03485	0.6
732.29846	0.5
822.62555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73755	0.7
69.31998	3.3
69.32425	4.0
71.01259	13.6
73.02820	8.1
75.85236	0.7
83.01243	4.0
85.02831	6.1
89.02303	5.6
95.01293	0.8
98.19663	0.8
99.00774	1.6
101.02325	13.2
104.64792	0.8
113.02339	6.4
119.03384	1.6
123.08050	2.4
125.02283	1.1
130.46497	0.8
131.26530	0.9
139.43739	0.7
151.00186	0.9
153.01884	0.8
161.04486	2.6
161.09676	1.0
173.04425	0.8
177.12733	5.4
191.05554	0.9
195.13768	2.4
221.11794	3.3
255.02936	2.3
256.03180	0.7
271.02487	5.5
300.02756	7.2
301.03406	4.2
316.02191	0.8
401.18146	16.5
402.18594	1.3
402.72491	0.7
443.19208	100.0
444.19406	6.0
463.08752	9.6
464.08972	1.2
479.08746	1.2
487.18433	1.8
790.29034	0.8
874.82391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	1.3
69.85806	1.1
71.01252	25.6
71.57829	1.7
72.99158	1.7
73.02834	5.3
81.03307	1.6
83.01266	3.4
85.02827	7.5
87.00766	5.5
89.02311	28.2
89.02831	1.8
95.01264	2.6
97.02836	4.9
99.00742	2.0
101.02316	21.9
113.02333	10.0
119.03412	6.6
120.57285	1.3
121.10140	3.4
125.02342	9.3
139.03896	1.6
143.03406	4.7
149.04440	1.3
157.08597	9.2
161.04471	6.5
171.10158	1.2
179.05547	4.7
191.05495	1.9
217.19633	1.1
221.06606	1.5
235.08185	9.0
247.07910	1.2
253.09361	3.0
261.18591	13.2
263.07788	1.9
277.21716	64.1
278.22021	3.9
279.19626	25.6
287.07651	2.6
305.08820	4.0
397.13489	100.0
398.13815	5.0
400.17172	1.1
415.09009	2.0
415.14526	36.2
416.14996	3.3
445.09839	1.2
675.35455	2.9
713.60901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	100.0
72.99176	7.0
73.02821	40.0
75.00755	3.1
83.01285	14.2
85.02821	30.9
87.00737	6.1
89.02314	52.9
93.03338	4.2
95.01264	7.2
101.02325	60.8
102.57707	2.6
113.02336	45.0
119.03386	23.1
125.02321	4.4
131.03401	4.7
135.04407	15.0
142.34889	2.6
143.03378	7.7
149.04475	4.9
161.04466	25.0
173.04472	4.3
173.09622	3.4
179.03421	15.3
179.05536	6.5
181.31892	2.7
189.12764	35.9
191.05565	22.6
207.13968	5.3
230.14661	3.6
271.02448	2.8
300.02789	5.4
301.03354	3.5
353.08557	3.3
369.19165	16.7
387.20251	57.7
388.20517	4.2
429.21289	87.4
430.21738	10.1
481.92432	2.3
609.14331	3.8
610.14722	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21075	0.8
78.95776	18.4
105.26846	0.4
122.00007	0.7
126.91126	0.4
140.01080	5.6
152.99458	1.6
196.02016	0.8
196.03743	9.1
214.04799	1.4
215.14375	0.4
235.37112	0.4
255.23265	100.0
256.23608	6.2
345.26703	0.5
386.28470	0.4
389.58087	0.5
452.27805	78.1
453.28140	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02876	1.4
71.01257	7.1
71.58269	2.1
73.02821	2.9
85.02810	4.7
87.00758	1.5
89.02332	4.6
93.03336	4.7
96.95941	2.0
101.02325	7.8
103.87305	1.4
103.94630	1.3
108.02082	2.5
109.02856	1.8
113.02283	3.1
119.03377	2.1
123.04399	1.7
135.04434	5.6
150.03143	1.4
151.00264	3.2
152.01097	3.7
153.01822	2.4
161.02324	3.1
161.04466	5.7
163.00278	1.9
172.89752	1.7
181.22073	1.5
185.05890	1.6
187.03966	2.0
191.05632	10.3
195.65027	1.6
227.03412	15.8
229.04973	8.7
239.03300	2.4
241.05022	3.1
255.00284	2.3
255.02957	45.6
256.03500	4.0
257.04486	6.0
283.02658	2.1
284.00073	2.1
284.03265	70.8
285.04034	74.1
286.04437	5.5
375.20129	2.5
477.14319	1.8
489.10406	100.0
490.10712	8.8
491.10834	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65852	1.9
66.82320	2.0
71.01260	45.4
72.75885	1.9
72.99194	2.5
73.02820	4.9
83.01270	2.7
85.02836	13.3
87.00755	5.6
89.02317	42.5
93.03324	2.6
95.01254	5.0
99.04377	2.2
101.02335	28.9
106.74937	1.9
113.02342	22.8
119.03390	20.3
135.04419	7.3
143.03398	7.0
159.56197	2.2
161.04486	13.4
161.13283	22.5
169.10182	2.4
179.03491	4.4
179.05521	22.3
185.13252	2.9
186.50208	2.2
187.11227	45.3
188.11499	3.3
191.05634	12.3
205.12294	37.0
218.77751	2.0
229.12251	15.6
231.10172	2.6
247.13335	5.0
249.11299	40.6
267.12314	2.7
269.10318	5.8
273.11432	3.1
291.12524	4.1
311.11469	2.5
351.14478	3.6
385.18710	20.7
401.18192	7.3
411.16647	32.4
418.89413	2.5
429.17645	100.0
430.17984	9.1
466.25638	2.3
591.23010	48.5
592.23315	6.5
927.76733	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48026	5.9
71.01263	6.1
73.02829	3.0
81.03353	1.4
83.01257	1.9
85.02812	2.7
87.00796	1.1
89.02322	1.3
93.03349	4.5
99.04398	48.8
101.02325	17.2
111.04440	0.8
113.02338	2.0
113.64722	0.7
121.02814	1.6
125.02335	22.4
133.39005	0.7
135.04427	5.0
143.03362	3.5
147.03305	0.7
147.04427	1.9
148.05205	100.0
149.05521	3.4
161.04449	4.1
163.07558	96.0
164.07890	4.3
173.04472	2.1
177.01842	0.9
191.05516	2.6
203.05501	2.5
218.98628	0.7
243.08661	1.7
315.12274	2.1
325.12790	1.7
354.85611	0.8
367.13937	4.6
407.16974	0.9
467.15475	1.2
468.15793	0.8
469.17126	21.0
470.17493	2.1
778.36346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	1.5
70.40089	1.7
70.40476	2.3
71.01254	28.4
72.99182	1.4
73.02815	3.5
75.00733	0.8
81.03326	1.6
83.01266	2.7
83.04915	0.8
85.02827	5.9
87.00760	5.1
89.02316	18.8
95.01252	2.5
97.02837	4.9
99.00766	0.8
101.02322	18.3
107.08529	2.3
113.02338	9.1
119.03391	4.9
125.02338	8.1
133.05032	1.1
139.03920	1.5
139.11169	1.7
143.03429	3.0
152.99507	1.2
161.04453	3.8
179.05536	3.9
199.13371	1.1
209.11774	12.0
221.06583	1.7
227.12788	1.0
235.08226	10.2
245.04346	0.9
253.09248	3.1
255.23273	63.2
256.23480	1.8
277.21729	6.2
287.07678	3.9
291.19666	11.4
303.05829	0.8
305.08640	3.6
311.16843	1.5
323.09692	1.0
374.64133	1.0
379.12433	1.1
397.13510	100.0
398.13806	4.3
415.14548	32.8
429.18445	0.8
481.25912	2.2
534.34717	0.8
604.42572	0.7
653.37549	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01757	2.4
69.41948	7.2
71.01273	1.2
79.09536	0.8
85.02811	4.5
85.93076	0.8
87.00745	3.1
93.03334	19.0
98.19803	1.7
101.02321	1.1
111.04388	2.3
113.02394	0.9
119.04913	5.5
124.61362	0.7
127.03896	1.7
163.03909	5.6
168.91681	0.8
173.04500	10.6
191.05540	100.0
192.05869	1.5
210.39146	0.9
226.97644	0.8
235.63203	0.7
248.40179	0.7
255.02934	5.3
283.02487	13.4
284.03174	2.2
285.04080	10.8
337.09293	29.3
338.09692	1.6
446.08408	2.1
447.09186	8.0
609.14667	22.4
610.15387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	1.6
73.02817	0.7
78.65830	0.2
83.01256	0.2
83.04900	0.2
85.02817	0.5
89.02312	0.7
93.03333	57.0
94.03661	1.4
96.95916	0.4
98.20567	0.3
101.02304	0.8
108.02052	0.4
109.02849	0.5
113.02287	0.4
119.03407	0.3
121.02820	0.4
123.04425	0.2
125.02374	0.2
131.03329	0.2
134.03632	0.3
135.04393	1.4
137.02341	100.0
138.02686	2.3
148.47517	0.2
149.02292	0.2
149.05995	0.2
151.03894	0.2
152.01035	0.2
153.01859	0.2
161.02316	0.7
173.04488	0.4
177.01842	0.3
183.13721	0.2
191.05501	1.0
221.08194	0.4
301.16248	0.2
372.04288	0.2
373.26151	0.3
383.13474	0.2
403.26779	0.2
425.14529	11.6
426.14862	0.9
477.17731	2.2
478.18405	0.3
947.37732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.579
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86533	0.6
69.03323	1.4
71.01256	23.0
71.07451	1.2
72.86722	0.6
72.99181	2.0
73.02810	3.3
75.00725	0.7
78.95784	7.2
79.42011	0.5
81.03324	0.9
83.01258	2.9
83.12090	0.6
85.02833	4.6
87.00759	5.0
89.02320	19.6
91.03875	0.6
93.03350	0.6
95.01269	1.5
96.96835	1.1
97.02832	3.5
99.00751	1.3
101.02325	18.5
107.08554	2.1
111.04406	1.0
113.02338	9.4
119.03395	5.6
120.89059	0.5
121.02838	0.6
121.10137	4.3
125.02330	9.3
125.09615	2.4
131.03401	0.8
139.03889	0.5
139.11192	1.7
141.01826	0.7
143.03424	4.0
152.99493	10.6
155.16650	0.5
161.04489	5.3
169.04921	0.7
179.05507	3.7
185.11769	5.6
191.05559	0.6
197.11804	1.4
199.13321	1.9
209.11800	2.9
211.13333	0.8
217.07245	0.7
221.06590	1.3
235.08199	11.4
247.20551	0.8
253.09355	2.6
255.23285	55.1
256.23578	3.4
263.07809	0.7
273.18613	1.1
277.09460	0.7
277.21744	2.2
287.07742	2.7
291.19675	58.8
292.20071	3.3
305.08817	3.8
311.16739	0.6
397.13522	100.0
398.13889	4.8
415.14594	28.8
416.15079	1.6
431.22174	4.1
653.37561	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26103	17.9
69.26529	13.4
71.01259	20.1
73.02821	3.7
75.00757	3.0
85.02813	3.8
87.00755	9.9
89.02331	6.5
97.02833	12.9
97.06451	3.1
98.20616	5.5
99.00762	18.7
99.81547	3.0
101.02309	9.3
104.42435	2.7
109.31138	3.0
113.02351	5.7
125.02328	9.5
125.09563	3.2
163.11182	12.3
181.12309	20.3
199.13354	3.2
207.10188	67.8
208.10538	3.9
211.46458	2.8
225.11279	100.0
243.12354	32.5
277.21719	54.9
278.22025	4.4
317.15811	4.1
325.18600	6.1
379.47079	3.4
397.13376	8.8
430.95145	2.4
464.13211	2.7
563.26184	2.9
605.24548	39.2
623.25702	32.4
661.07593	2.8
883.47119	91.0
884.47583	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46822	3.3
71.01250	25.0
71.38981	5.5
73.02818	3.8
83.01276	4.3
83.04911	4.6
85.02830	6.8
87.00759	7.4
89.02319	16.6
90.97072	3.1
97.02818	11.6
99.00758	4.5
101.02315	15.2
109.06469	27.0
113.02348	11.6
119.03362	4.8
125.02286	6.2
135.08073	5.0
142.02629	4.7
159.55363	3.5
161.04367	4.9
163.11198	25.2
179.58224	3.7
183.29219	3.5
190.71387	3.1
207.10199	100.0
208.10541	8.2
223.47292	4.0
225.11287	34.0
235.08147	8.0
239.09708	3.5
243.12596	3.9
265.07550	3.6
277.21738	76.7
278.22006	3.6
325.18356	14.7
379.12531	7.6
397.13443	60.6
415.14413	15.2
605.24219	7.0
883.46790	59.4
884.47528	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78091	0.3
71.21445	0.4
78.95778	49.8
84.61887	0.3
96.66623	0.3
96.96846	5.4
139.24017	0.3
150.97975	1.5
152.99493	100.0
153.99870	0.6
157.16151	0.3
171.00577	4.4
188.91125	0.3
190.98845	0.4
242.47256	0.3
272.27072	0.3
277.21658	1.2
431.22028	34.9
432.22256	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79117	0.5
69.58736	3.8
81.73806	0.5
107.01234	0.8
108.02055	0.6
109.02879	1.1
109.99976	2.7
111.00748	1.1
123.00786	1.0
137.99460	1.6
139.00290	4.5
148.01611	0.9
151.00278	4.6
152.01016	0.5
161.02347	0.6
163.00305	0.7
164.00989	0.6
164.98210	0.5
165.98993	3.8
166.99751	2.1
178.99803	5.1
180.00275	0.5
187.03986	0.6
191.05571	1.7
194.99258	1.2
199.04016	0.7
203.03406	0.7
206.99443	0.8
215.03423	0.6
216.04099	0.6
227.03419	1.6
231.03006	0.9
242.02187	1.7
243.02957	4.9
244.03741	0.6
245.04514	1.0
255.02966	6.7
259.02383	1.2
270.01639	3.7
271.02484	21.1
272.02985	2.4
273.04230	0.7
287.01959	11.3
288.02762	2.4
298.01068	1.0
299.01984	14.0
300.02728	23.6
301.00208	0.8
301.03491	11.1
302.03955	0.9
315.01376	1.0
316.02228	39.1
317.02966	22.0
318.03262	0.7
340.25070	0.6
453.96005	0.5
461.07236	0.7
463.08817	36.3
464.09271	3.1
477.06711	0.9
478.07477	2.0
479.08282	100.0
480.08572	8.7
486.98816	0.6
640.45331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03297	3.1
70.27883	7.8
71.01252	17.8
72.47722	1.8
73.02794	2.4
78.75768	2.0
81.90593	1.7
83.01250	3.2
83.77337	1.6
85.02818	6.1
87.00755	5.8
87.66858	1.6
89.02328	13.8
98.19878	2.4
99.00767	2.8
100.77557	1.7
101.02317	12.8
113.02299	4.5
116.92754	10.7
119.03381	4.8
125.02348	5.5
143.03410	3.4
161.04536	4.6
167.10704	3.4
179.05554	6.9
179.10712	2.2
179.14360	2.9
189.37178	1.9
195.13838	9.4
205.12312	8.8
207.62036	1.8
221.06596	1.8
223.13345	100.0
224.13692	3.6
235.08150	5.4
253.09180	2.2
277.21719	53.5
278.21985	2.7
339.19919	5.7
379.12564	9.3
397.13504	42.7
398.13522	4.6
415.14566	11.4
603.26904	11.8
604.26801	2.5
621.27740	14.8
881.49554	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05842	0.7
71.01260	13.5
72.99165	0.8
73.02815	5.7
83.01263	2.6
85.02837	5.6
85.92313	0.8
87.00737	0.9
89.02312	4.5
95.01239	1.2
98.20560	1.9
99.00756	2.0
101.02329	10.2
102.22203	0.8
113.02337	4.6
119.03378	1.5
123.08040	3.6
127.98528	0.8
137.02296	0.9
150.03117	0.8
159.02870	0.8
161.04475	2.3
165.01807	0.9
165.05438	0.8
177.12762	3.4
180.04195	1.0
181.04939	0.8
191.05534	2.4
195.06602	1.1
195.13844	2.1
207.14009	0.9
209.11749	1.9
221.11763	1.9
229.64240	0.8
269.13950	3.6
271.02390	2.2
300.02612	2.4
301.03513	1.2
346.39615	0.9
397.95609	0.7
401.18173	13.1
402.18448	1.0
405.95712	0.7
409.61673	0.7
443.19199	100.0
444.19379	6.6
446.22559	0.8
449.14578	1.4
449.20245	10.0
463.08826	1.1
487.19058	1.7
505.09998	2.4
571.41705	0.8
613.22888	1.1
917.64441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	1.0
71.01275	5.2
71.58794	1.8
72.02790	0.7
73.02827	3.1
83.01268	1.7
85.02857	1.5
89.02356	1.8
93.03346	1.3
101.02338	4.9
107.01221	1.1
109.02837	1.1
113.02340	1.5
121.02841	1.5
135.04393	0.9
149.04462	1.2
151.00279	6.9
156.03624	1.0
161.04486	2.4
163.00316	1.7
178.99791	2.8
191.05508	3.3
205.12389	1.7
227.03476	2.1
243.02982	5.4
254.02197	1.3
255.03014	14.8
271.02502	28.9
272.02835	1.3
283.02692	0.9
299.02081	1.2
300.02753	60.0
301.03485	29.7
302.03796	1.3
305.92947	0.8
361.35388	0.8
367.17575	3.4
385.18484	2.6
427.19681	6.2
463.08865	100.0
464.09192	7.0
584.13745	0.9
648.66467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.9
69.27769	1.0
69.28168	6.0
71.01236	2.6
73.02798	1.1
82.11283	0.6
83.01235	1.4
85.02819	1.2
89.02319	1.0
93.03347	0.5
98.20507	1.1
101.02309	1.6
107.01277	1.4
108.02065	0.9
108.37877	0.6
109.02814	1.4
113.02293	1.2
113.14022	0.6
121.02840	1.5
133.66661	0.5
138.19409	0.6
148.01631	0.8
151.00253	7.1
163.00249	1.8
163.78517	0.6
164.94215	0.5
169.01361	0.6
178.99773	5.3
180.98685	0.6
181.00327	0.5
187.03888	0.8
191.05527	1.1
201.05458	0.6
214.77808	0.6
225.14920	0.9
226.02762	0.6
227.03351	1.6
243.02986	6.4
244.03246	0.7
245.04678	1.1
254.02118	1.4
255.02951	17.9
271.02466	37.1
272.02899	4.1
273.03406	1.1
283.02771	0.9
299.01831	1.0
300.02734	82.0
301.03452	38.1
302.03745	4.5
303.40286	0.6
305.56998	0.6
366.32413	0.6
369.19205	5.7
375.88116	0.7
387.20303	3.9
429.21216	5.5
443.19070	3.1
462.57098	0.6
463.08810	100.0
464.09207	11.9
465.09293	2.8
533.70135	0.7
859.87189	0.7
907.59888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84291	3.7
69.63029	24.1
69.63431	8.6
71.01257	100.0
73.02831	31.2
74.81160	3.8
83.01257	16.7
85.02827	34.8
87.00730	9.9
89.02309	36.0
93.03328	10.9
95.01258	12.7
96.95889	6.1
98.19797	7.5
99.00774	10.8
101.02333	61.1
108.02068	5.9
113.02337	39.7
119.03400	8.8
119.04874	3.9
121.02798	3.7
125.02361	5.3
131.03377	4.7
134.03654	4.4
135.04382	13.8
137.02353	4.7
141.99405	3.3
143.03300	5.9
149.04491	10.6
151.03973	7.7
161.04471	30.9
173.04449	8.6
177.05530	3.7
179.03441	6.7
179.05557	8.5
191.05534	30.7
203.05511	6.3
205.12149	4.1
245.74945	3.7
249.11183	7.8
324.69406	4.1
334.17361	4.3
369.19226	21.9
371.20660	9.9
372.81000	3.4
387.20239	58.3
413.21945	24.8
429.21494	97.9
430.21573	8.0
431.19083	3.9
434.49152	3.7
467.15253	9.1
743.94208	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45815	2.3
78.95779	29.3
96.95853	0.9
96.96851	2.4
138.65796	0.8
152.99490	39.8
171.00537	12.2
188.56291	0.8
227.03206	1.8
245.04298	63.8
246.04643	1.3
253.21695	34.8
254.22191	1.7
255.23257	1.8
286.58032	0.7
481.25714	100.0
482.26077	9.0
804.92255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88564	1.9
69.03323	2.0
71.01257	49.6
71.58704	2.2
72.99180	3.5
73.02827	15.9
78.51880	2.0
83.01268	7.3
85.02821	25.2
87.00771	4.9
89.02318	10.6
93.03348	6.2
95.01271	6.2
96.95876	2.4
97.02826	3.6
99.00767	8.5
101.02335	32.3
108.02055	4.0
109.02822	3.0
113.02329	32.9
119.03429	4.5
121.02842	2.5
134.16029	2.1
135.04431	8.2
137.09732	2.0
140.41356	2.1
143.03416	2.3
151.11234	2.5
159.02917	2.2
161.04445	9.2
173.04485	5.2
179.03490	4.4
181.12236	4.4
191.05550	21.3
205.12495	2.1
207.13802	5.3
209.15414	7.3
225.14961	11.6
259.98541	2.1
269.08276	2.6
353.19626	14.1
369.19177	100.0
370.19470	7.3
371.20697	24.8
372.20984	2.6
387.20273	37.7
413.21844	39.8
414.22156	5.1
429.21234	46.8
430.21765	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11546	1.5
71.01255	53.6
71.58395	3.3
72.99194	7.3
73.02839	2.8
75.75941	1.9
79.05397	2.2
81.03344	3.0
83.01261	10.1
83.04887	2.6
85.02824	18.3
87.00753	1.7
89.02321	30.3
93.03323	11.1
95.01250	4.2
95.04926	2.1
96.95889	11.0
99.04423	3.2
101.02333	25.6
107.04899	2.6
108.02066	5.7
109.02836	6.2
111.00727	2.6
111.04357	1.8
113.02333	18.6
113.05939	2.3
119.03398	12.5
119.04893	3.1
121.02862	13.1
121.06540	2.6
123.04382	3.2
131.03465	2.1
133.02927	2.4
133.06500	3.0
135.04431	8.6
137.02332	3.2
143.03398	3.1
145.02904	2.7
148.01608	2.0
149.05925	2.9
150.03096	2.8
151.03813	2.1
152.01030	4.9
153.01843	6.0
157.06485	3.2
158.25864	2.0
161.02336	2.6
161.04474	4.2
161.05861	1.7
161.09578	1.8
161.13324	10.4
163.03918	3.0
165.05528	2.4
173.04512	8.3
175.02510	2.7
175.03937	4.9
176.01096	9.0
179.05528	4.8
185.09761	2.2
186.28976	2.0
187.09558	2.5
187.11221	48.8
188.11575	2.2
190.06342	2.8
191.03525	5.2
191.05569	21.5
192.64409	1.9
199.11133	2.0
205.12285	12.9
213.09140	2.5
222.05313	3.8
229.12291	6.8
231.10196	6.8
249.11330	14.4
253.08778	3.1
255.10246	3.1
256.20575	2.1
261.05783	2.1
263.07117	3.8
268.07260	2.3
268.11093	2.4
269.08246	4.9
273.11212	4.7
279.06613	4.5
281.08185	8.1
283.09674	3.0
285.04251	2.1
291.06625	4.7
291.12332	5.3
292.07230	3.0
293.08188	3.6
294.08987	6.0
295.09692	3.4
297.07794	24.8
297.11063	4.2
307.10107	2.8
308.10391	3.3
309.07693	38.7
309.11310	14.3
310.08240	3.0
312.10043	24.0
313.10666	5.7
315.12463	9.4
323.09299	10.3
324.10040	27.9
325.02701	1.9
325.10550	4.5
327.12375	88.2
328.12772	7.7
333.13394	6.5
339.12381	80.4
340.12741	6.7
393.15567	21.8
491.29443	2.7
573.21613	7.0
606.65735	2.3
632.49310	2.0
694.24866	2.1
751.29681	100.0
752.29767	15.6
885.39557	2.6
887.37415	3.0
931.36182	32.0
932.37299	3.3
965.93884	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23724	0.3
71.01256	20.4
71.58913	0.6
72.99178	2.0
73.02842	1.8
83.01269	0.6
83.04890	0.5
85.02817	5.1
87.00764	1.3
89.02320	18.9
93.02268	0.4
93.03345	1.1
95.01264	1.9
96.95872	0.5
97.02812	0.5
99.00764	1.3
99.04380	0.4
101.02332	9.9
107.04911	0.6
108.02066	0.7
109.02853	0.7
111.00741	0.4
111.61311	0.4
113.01618	0.7
113.02345	7.2
119.03393	7.7
119.04783	0.5
123.04453	0.7
123.08063	1.5
131.03372	0.9
131.08534	2.4
135.04420	4.0
135.08063	0.9
136.04759	1.2
137.02368	0.6
141.06982	0.6
143.03412	2.0
147.04276	0.4
149.04460	4.2
149.05858	0.9
150.03131	0.5
153.01837	0.6
155.08516	0.7
157.10123	3.4
161.02383	1.0
161.04459	3.1
163.79121	0.4
169.10153	1.7
171.11716	1.9
173.04472	0.9
173.05995	0.4
173.13290	1.2
175.03780	0.4
177.01898	0.4
179.03445	2.0
179.05559	7.0
179.07050	0.4
183.11719	0.8
185.11641	0.6
185.13287	12.8
186.13589	0.8
187.11206	1.2
189.05392	0.5
191.05547	7.6
192.05945	1.4
193.04987	0.4
203.14378	1.0
217.12425	0.9
229.12285	3.6
247.13379	100.0
248.13687	5.8
251.07849	0.5
265.14429	5.0
293.08841	0.4
311.09912	0.4
353.08789	0.4
427.19714	35.7
428.19983	2.6
737.24945	0.4
775.88531	0.5
851.55328	0.4
929.31677	1.4
934.69983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	4.0
71.01254	70.5
71.58174	6.1
72.99189	6.0
73.02815	9.0
73.86459	3.1
76.65862	3.0
79.05436	3.5
80.67805	3.2
83.01254	17.3
83.04912	3.7
85.02816	18.7
87.00753	5.4
89.02325	36.7
93.03358	13.5
93.06989	3.4
95.01266	6.5
95.04924	5.0
96.95891	4.1
99.00810	3.6
99.04417	5.7
101.02336	35.5
107.04906	4.3
108.02061	5.6
109.02877	5.3
111.04419	4.5
111.30944	3.2
113.02340	26.8
119.03400	12.0
119.04915	4.4
121.02847	17.4
121.06493	4.2
123.04370	4.5
125.17606	3.0
135.04402	17.3
136.01567	17.0
137.02301	7.2
143.03406	6.3
149.02299	4.2
149.05890	3.1
151.03947	23.6
152.01068	4.8
153.01845	4.5
157.06519	4.0
159.70122	2.9
161.04547	4.0
161.13275	12.6
163.03941	4.2
163.07565	4.5
173.04485	13.3
175.03946	8.6
177.05560	2.9
179.03406	3.5
179.05531	9.0
187.11209	43.3
191.05511	25.3
205.12320	15.6
229.12280	8.9
231.10187	7.7
234.82933	3.4
239.07057	3.9
249.11354	17.1
253.08644	5.5
263.07355	4.3
269.08221	5.2
273.11261	5.4
279.06561	7.1
281.08188	8.6
291.06732	4.8
291.12259	8.2
293.08273	3.8
294.08945	4.4
296.10431	3.2
297.07730	26.0
297.10919	5.2
308.10458	6.5
309.07697	48.7
309.11392	12.4
310.08154	3.7
312.10049	34.1
315.12344	14.9
323.09271	14.9
324.09976	39.1
325.10712	5.9
327.12387	80.4
328.12476	4.5
333.13330	7.9
339.12338	76.5
340.12576	4.9
357.13437	21.3
359.28079	3.5
393.15500	29.7
521.33264	11.1
573.22119	4.0
683.38007	18.2
751.29645	100.0
752.30170	19.0
800.33551	3.5
887.42822	3.8
931.35718	29.0
932.36194	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	3.6
71.01254	62.1
71.37785	2.2
71.38126	3.7
72.99181	3.9
73.02819	11.6
83.01253	9.4
85.02812	22.8
85.99946	2.1
87.00764	10.5
89.02328	20.2
95.01272	5.5
97.02845	3.5
99.00755	3.4
101.02316	32.7
107.04906	8.3
113.02333	32.2
119.03397	7.5
122.03627	4.6
124.01560	2.2
125.02351	14.9
135.04414	91.8
143.03407	4.8
161.04401	3.4
195.10121	2.1
228.46251	1.8
232.95622	1.9
253.50742	2.1
280.49945	2.0
307.67441	2.0
309.20917	1.9
354.54086	1.7
364.11008	1.8
387.11313	1.8
389.27020	2.1
415.32370	3.8
431.31537	4.1
433.33197	35.9
433.38940	1.4
434.33591	3.8
559.36450	3.9
560.36017	2.6
577.37433	100.0
578.37817	14.4
595.38507	81.1
596.38763	7.7
619.38318	27.5
620.38757	3.8
637.39539	84.3
638.39911	12.5
679.40930	4.9
721.41443	13.1
739.42822	28.8
740.42908	6.3
757.43103	10.5
781.43866	9.3
799.45135	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	10.6
67.05876	0.5
69.03326	3.4
71.01257	3.8
71.58578	1.0
73.02824	0.6
75.09046	0.5
81.03332	2.3
83.04894	1.7
85.02820	1.2
86.07387	0.6
87.00760	11.9
89.02275	0.7
92.97810	0.6
93.03338	75.4
94.03675	1.3
95.04899	0.6
96.95892	0.9
99.00758	1.8
99.04391	1.6
101.02319	0.9
105.03334	0.9
108.01983	0.5
109.02813	1.8
111.04408	9.1
113.02328	1.6
115.03900	0.7
123.04418	0.7
124.01548	0.6
129.01820	1.3
132.02077	0.7
133.02869	2.9
134.03638	10.9
135.04440	6.9
137.02332	2.1
145.02901	0.8
149.02356	0.6
150.03111	0.7
151.03938	0.7
155.03378	3.7
160.01578	1.0
161.02370	2.0
162.03143	5.8
163.07571	0.6
173.04472	51.3
174.04834	0.7
177.01845	0.9
179.03419	0.7
190.20753	0.5
191.05539	9.4
199.51640	0.6
231.10240	3.0
238.46704	0.5
275.09222	18.5
276.09692	0.6
342.56381	0.6
351.07291	1.0
352.08008	1.2
449.14523	100.0
450.14703	7.8
487.79910	0.6
497.08670	0.7
779.13654	0.6
927.39722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.402
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88766	1.8
69.03329	5.9
69.48920	3.9
69.49329	11.5
71.01253	100.0
72.99182	3.7
73.02820	47.9
75.00734	5.3
81.03281	2.5
83.01257	23.3
83.04876	2.4
85.02823	49.5
85.99973	2.0
87.00753	11.2
89.02327	22.2
93.03337	8.1
95.01255	10.3
96.95869	3.6
97.02822	4.4
99.00761	8.8
101.02326	69.1
108.02015	2.6
109.02840	6.0
111.08046	1.8
113.02328	57.0
119.03371	8.1
121.02839	3.3
123.04418	2.6
125.02315	3.7
131.03404	5.8
133.02859	3.0
134.03639	1.8
135.04431	12.7
137.02342	3.3
137.09622	4.1
138.03110	3.1
141.01883	2.3
143.03378	7.9
147.04480	1.9
149.04446	7.9
151.07593	2.2
153.09100	13.9
155.03387	2.9
159.02913	4.1
161.02319	5.2
161.04448	33.6
161.09671	2.3
163.11197	20.1
165.09122	6.2
173.04373	4.5
174.01459	1.9
175.07523	1.9
177.01874	3.8
177.12738	2.0
179.03418	3.2
179.05600	2.2
181.10773	3.6
181.12268	45.6
182.70557	2.1
187.11203	7.8
189.12715	8.3
190.02484	2.3
190.09972	10.9
191.05508	23.6
193.08591	2.1
203.05576	5.0
204.11369	2.6
205.12270	57.8
206.12556	3.1
209.15411	5.0
221.06628	4.9
223.09789	4.6
223.13249	14.2
229.12210	2.3
247.13254	4.9
339.12103	2.9
349.16467	8.3
353.19702	12.2
367.17615	31.8
368.17923	2.8
369.19162	5.7
371.20746	25.3
383.14999	2.2
385.18634	9.0
387.20352	2.5
409.18372	2.4
413.21780	48.3
414.22113	5.4
427.14465	3.1
427.19788	40.6
428.20172	3.7
429.21136	3.1
468.20859	1.8
586.36530	2.1
703.48535	2.3
836.28406	2.5
891.45154	2.6
929.32251	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	4.8
71.58561	0.9
71.58950	1.1
73.02824	1.2
78.50916	1.0
85.02825	4.0
85.65974	1.1
87.00762	1.1
89.02335	1.8
92.27617	1.1
93.03322	6.4
101.02302	1.8
107.01262	1.1
109.02856	2.9
111.00742	1.0
111.04432	1.9
111.58195	1.1
113.02309	2.1
127.03881	1.6
133.02866	2.2
134.03583	1.7
135.00760	1.1
135.04410	31.7
137.02316	1.4
149.05952	2.1
151.00313	1.3
153.01874	1.3
161.02374	7.8
161.04460	1.3
163.00288	2.0
165.05557	1.2
173.04527	6.0
177.05438	1.3
179.03398	14.3
185.05977	1.5
187.03896	1.8
191.05533	26.0
199.97806	1.0
203.03368	1.9
211.03822	1.3
221.04419	1.8
227.03450	16.5
228.03882	1.4
229.04971	4.0
239.03448	1.8
241.04997	1.8
241.54935	1.2
255.02974	35.5
256.03571	2.8
257.04669	4.9
284.03262	56.3
285.04013	64.2
286.04327	4.7
340.01740	1.0
341.09018	1.0
349.18723	1.3
353.08664	3.4
457.44678	1.3
489.10385	100.0
490.10678	7.9
495.35226	1.1
555.18616	1.3
565.56531	1.1
703.63257	1.2
709.27393	1.6
735.24731	3.4
747.24677	1.9
753.25830	1.3
927.30835	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10659	0.5
67.01763	10.2
69.03338	2.7
69.24184	0.9
69.24590	5.5
71.01254	6.0
73.02846	0.5
78.39973	0.5
81.03320	1.9
83.04895	1.6
85.02829	3.1
87.00757	11.9
89.02332	1.1
93.03336	71.1
94.03673	1.3
96.95895	1.2
97.06386	0.5
99.00759	1.2
99.04397	1.3
101.02335	1.6
106.29682	0.5
108.02078	1.0
109.02831	2.0
111.00821	0.5
111.04403	9.3
113.02351	1.8
115.03942	0.6
117.03326	0.8
119.72585	0.5
121.02836	1.3
123.04427	0.7
124.01565	1.0
129.01826	1.9
132.02089	1.0
133.02843	0.9
134.03642	7.1
135.04414	9.5
137.02348	1.6
143.03473	0.8
147.04471	0.6
150.03149	0.6
151.03886	1.2
155.03450	2.5
160.01572	2.9
161.02350	2.1
162.03143	5.2
166.66275	0.5
173.04474	45.4
174.04788	1.2
177.01819	1.4
178.02597	0.9
179.03412	2.2
187.07582	0.6
191.05540	35.4
192.05923	1.2
193.08594	0.5
209.11792	1.7
257.08200	2.1
275.09277	6.3
308.09094	2.2
351.07208	2.5
352.08044	3.8
353.08401	0.6
448.23248	0.6
449.14529	100.0
450.14761	5.6
477.17557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	10.0
66.09865	2.2
69.27369	21.0
71.01240	4.4
83.01250	8.8
85.02833	3.2
88.60757	2.1
93.03352	4.0
95.01295	4.0
96.95920	3.0
101.02311	4.8
101.13463	2.2
107.01258	21.9
109.02831	8.8
121.02815	4.3
122.43010	2.4
123.00759	3.9
124.01553	6.3
125.02317	4.7
135.04419	4.3
137.02301	2.8
139.03844	3.5
148.01572	4.0
149.02299	6.2
151.00273	62.6
152.01094	16.8
153.01833	7.1
161.02269	4.0
163.00258	3.7
165.01825	3.5
169.01331	18.6
173.04305	2.2
175.00307	3.3
175.03888	4.5
178.98225	3.9
178.99783	76.3
180.00020	2.7
190.99757	4.8
191.05521	8.3
192.00484	6.3
193.01324	14.0
198.03191	2.6
199.03772	3.4
203.03400	10.0
214.02658	4.0
223.05382	2.2
225.01877	3.7
226.02666	8.4
227.03430	8.7
237.01808	4.7
239.03421	3.2
240.04301	2.3
241.01414	2.5
241.05110	2.2
242.02257	4.0
243.02983	3.1
246.71603	2.2
253.01341	6.7
254.02078	9.8
255.02969	22.9
256.03537	2.3
267.02939	4.2
269.00897	18.4
271.02438	19.3
281.00763	3.8
282.01431	3.1
283.02527	4.9
289.05219	2.1
293.04300	3.7
295.02554	3.6
297.00723	2.4
299.01889	10.6
300.02603	3.5
307.47736	2.0
323.51950	2.1
339.04999	2.4
341.03098	3.7
363.04810	3.0
365.03027	4.4
375.05191	4.3
379.04449	2.3
389.02786	9.8
391.04526	3.8
393.06100	2.5
393.20236	2.2
405.06296	10.6
406.06479	2.3
407.03998	10.6
419.04065	13.4
420.05048	4.4
421.05435	5.2
429.02310	2.8
432.73672	2.3
433.01791	9.6
435.03363	2.8
447.03064	5.3
449.04852	3.4
451.03036	4.1
583.05200	4.6
601.06158	39.1
602.06482	6.3
762.10077	3.5
763.11407	100.0
764.12061	14.1
866.64807	2.3
925.16760	78.4
926.17358	12.4
928.78210	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45617	2.4
65.00186	11.1
65.74471	2.7
69.35300	27.4
71.01260	9.8
73.02841	4.4
79.64944	2.6
83.01243	13.1
85.02818	5.0
89.02293	4.3
93.03342	5.7
95.01278	4.8
96.95912	4.4
101.02313	3.7
102.61770	2.7
107.01286	27.9
109.02876	9.0
121.02853	7.7
123.00754	3.1
123.04543	2.4
124.01546	8.0
125.02366	7.1
131.34387	2.4
133.02792	3.5
135.04410	4.7
137.02361	6.2
148.01529	5.8
149.02376	6.4
151.00284	85.0
151.01527	4.6
152.01060	19.4
153.01851	8.1
161.02373	3.8
163.00267	2.9
163.03883	3.2
165.05481	2.5
168.91568	2.6
169.01358	14.7
169.02687	3.1
175.00204	4.0
175.03891	5.9
178.99785	96.9
180.00246	3.3
188.76595	2.7
190.99686	5.5
191.05566	7.3
192.00476	6.3
193.01436	14.2
198.03059	5.2
199.03818	3.4
203.03438	10.9
215.03392	4.7
226.02690	9.5
227.03375	14.7
228.04242	4.3
237.01900	7.9
239.03427	3.7
241.01491	4.0
242.02138	4.8
243.02863	5.8
244.03766	3.4
245.44691	2.5
253.01395	7.3
254.02194	8.7
255.02988	17.8
257.00925	4.2
267.03098	5.2
269.00949	12.3
269.04242	3.8
271.02490	19.9
281.01044	6.7
282.01654	3.7
283.02432	6.5
284.03192	4.1
295.02551	4.0
296.03110	3.9
299.01941	9.6
300.02853	2.8
311.01819	3.7
333.04108	3.6
341.02975	9.8
347.05685	3.1
361.03482	4.3
365.02902	6.9
375.05106	4.6
389.03043	11.5
391.04535	4.4
403.04736	3.8
405.06131	11.6
406.03220	3.6
407.04089	15.7
417.02679	3.0
419.04163	5.4
420.04599	3.3
421.05606	7.0
433.01944	9.8
449.04825	3.5
451.03076	5.1
569.09595	4.8
600.06720	3.5
601.06067	33.0
682.89441	2.8
763.11407	100.0
764.12079	11.1
925.16760	88.5
925.35248	3.8
926.16840	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.434
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	2.0
69.03331	4.0
71.01257	100.0
71.59102	3.6
72.99178	3.4
73.02820	50.7
83.01252	14.1
83.32149	1.9
84.36380	2.5
85.02819	31.1
87.00781	6.1
89.02317	53.3
89.02834	3.9
89.58641	2.1
90.37465	1.8
90.72581	2.3
92.54504	2.1
93.03328	2.3
95.01285	8.6
99.00771	8.4
101.02328	73.4
109.02837	2.8
113.02336	46.1
113.03078	4.2
119.03403	19.4
121.02850	4.8
125.02330	4.5
131.03421	8.0
133.02811	2.6
135.04453	12.3
143.03430	7.1
147.04475	3.4
149.04463	12.7
153.05489	2.8
159.03003	2.4
161.04480	25.5
161.05980	7.7
165.05470	7.0
177.47899	2.6
179.05563	9.9
179.07001	3.6
191.05592	12.3
203.05547	6.2
285.04181	6.0
300.02734	3.5
301.10794	16.3
313.16614	14.2
331.17603	27.9
371.20792	9.8
373.18680	80.6
374.19046	6.8
413.21707	2.5
447.09048	3.9
463.09460	2.5
463.15732	3.5
503.24976	71.9
504.25351	6.9
806.11469	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90359	2.4
71.01252	11.6
73.86944	2.4
78.95808	2.8
89.02303	10.5
101.02322	9.0
113.02352	4.7
158.38937	3.0
161.04475	3.7
179.05469	6.9
209.11775	100.0
210.12088	7.7
227.12822	16.2
229.74614	2.9
235.08229	5.1
277.21689	39.5
278.21967	3.1
305.08615	3.4
379.12463	14.0
397.13522	45.2
415.14691	12.1
553.90839	3.0
589.25299	5.0
607.26141	5.0
631.03717	3.2
865.63104	3.4
921.46283	16.0
922.45648	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5971
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	1.0
71.57652	1.4
78.95769	1.0
93.03311	1.1
95.04911	6.2
101.02326	0.8
103.86176	0.6
121.02798	0.7
121.10106	5.0
149.09621	3.0
155.65468	0.7
171.10179	1.9
201.11270	1.2
227.06012	1.8
237.70401	0.6
269.07001	0.7
275.20163	2.6
277.21799	1.5
279.09305	0.8
281.07037	2.4
287.48239	0.7
293.21185	2.3
302.74420	0.7
307.08771	0.7
309.10153	0.8
311.22266	2.3
329.14206	0.7
335.11584	1.2
337.13208	0.8
338.10550	0.8
363.14899	1.2
369.56067	0.7
381.16086	3.3
391.18100	1.2
403.17960	2.8
431.21005	1.1
455.20764	0.7
459.24524	3.3
466.18713	1.5
485.25995	4.7
503.26971	15.5
504.27567	1.1
581.35437	1.4
607.36829	100.0
608.37170	11.5
625.37836	39.2
626.38177	4.6
660.60345	0.9
672.18817	0.8
732.80768	0.7
919.47772	3.2
920.50500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01239	0.5
71.57487	0.2
73.02828	0.2
81.03328	0.3
83.04920	0.3
85.02823	5.7
87.00745	1.2
92.07663	0.2
93.03342	2.6
96.25554	0.2
99.04401	0.3
109.02831	0.6
111.04409	0.9
127.03885	1.5
133.02855	0.5
135.04422	1.3
137.02333	0.2
158.44121	0.2
161.02342	1.7
171.02917	0.5
173.04462	1.7
179.03342	0.9
191.05537	100.0
192.05878	2.5
230.29149	0.2
353.08762	16.6
354.08966	0.9
430.98398	0.2
450.95605	0.2
459.75595	0.2
496.81006	0.2
516.04327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01777	3.2
71.01250	93.8
72.99163	4.4
73.02814	66.8
83.01247	26.7
85.02811	23.5
87.00745	3.1
89.02316	47.1
91.05417	8.0
93.03327	7.3
95.01301	6.7
96.95922	5.0
97.02830	3.4
98.59764	3.3
101.02324	100.0
103.30180	2.8
109.02859	5.0
113.02325	49.3
117.06973	6.2
119.03384	22.8
121.02847	12.4
125.02387	3.9
131.03397	9.3
135.04408	95.9
135.05438	5.1
137.02403	6.1
143.03387	10.8
147.04391	14.2
149.04456	12.8
149.06056	4.4
153.05482	6.6
161.04468	32.7
161.05984	78.9
165.05492	51.9
179.05539	14.7
179.07060	44.6
191.05513	10.9
191.07085	6.7
203.05508	3.8
221.06639	9.4
230.46510	4.5
271.02405	4.5
277.35004	3.2
285.04208	4.1
300.02780	6.4
301.03406	8.4
301.10776	44.5
321.69077	2.9
371.20712	23.4
413.21887	37.9
463.08972	10.3
463.16049	91.2
463.21783	6.9
464.16388	8.2
592.55719	3.6
614.49805	2.8
844.57874	3.2
939.99536	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.1
69.62541	10.6
69.62939	4.3
71.01255	97.9
72.99167	4.7
73.02823	95.3
74.03191	1.8
78.87950	2.1
79.37849	1.7
83.01265	30.8
85.02827	18.1
87.00755	5.4
89.02318	33.6
95.01254	4.0
96.95905	1.8
99.79417	2.0
101.02325	100.0
102.02654	2.3
113.02332	41.4
119.03394	14.6
120.95731	1.9
125.02328	6.4
131.03397	11.6
143.03404	11.4
149.04436	18.1
152.00948	1.8
161.04474	32.8
179.05530	7.2
191.05542	6.3
195.60986	2.0
203.05574	5.8
207.10564	1.8
221.06606	5.5
277.21021	2.3
373.22256	14.0
415.23532	23.0
416.23810	2.3
461.23843	2.5
645.51099	2.0
744.75055	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	100.0
72.99186	4.2
73.02821	29.3
83.01267	11.2
85.02830	30.1
87.00753	7.9
89.02314	81.4
93.03342	14.2
95.01258	5.4
96.95878	9.6
99.00762	23.2
101.02321	82.3
101.02984	4.3
107.04872	4.8
108.02060	5.4
109.02847	5.4
113.02322	37.8
119.03356	10.5
119.04908	8.3
121.02908	6.4
123.04408	5.2
125.02337	6.8
131.03378	14.4
133.02798	3.7
135.04445	10.1
137.02354	5.0
143.03378	5.7
149.04459	50.7
152.00981	8.0
161.02318	4.5
161.04449	18.0
163.03920	8.2
165.03871	3.3
167.07008	4.4
173.04507	10.1
177.09103	8.1
179.03363	8.1
191.05554	61.8
203.07002	5.7
205.12300	15.9
209.11841	3.5
221.08243	17.3
222.08354	8.4
227.03372	5.6
229.26311	4.5
235.19029	3.7
251.07608	5.1
255.03036	5.0
256.26837	4.2
271.09775	3.8
284.03259	9.2
285.04022	6.4
293.09012	3.9
311.09763	6.0
331.17560	43.0
373.18695	64.6
374.18750	9.5
375.16855	3.8
383.13422	15.3
384.13773	11.5
385.14069	7.5
447.09122	8.2
513.35278	4.0
919.30872	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	100.0
72.99186	4.2
73.02821	29.3
83.01267	11.2
85.02830	30.1
87.00753	7.9
89.02314	81.4
93.03342	14.2
95.01258	5.4
96.95878	9.6
99.00762	23.2
101.02321	82.3
101.02984	4.3
107.04872	4.8
108.02060	5.4
109.02847	5.4
113.02322	37.8
119.03356	10.5
119.04908	8.3
121.02908	6.4
123.04408	5.2
125.02337	6.8
131.03378	14.4
133.02798	3.7
135.04445	10.1
137.02354	5.0
143.03378	5.7
149.04459	50.7
152.00981	8.0
161.02318	4.5
161.04449	18.0
163.03920	8.2
165.03871	3.3
167.07008	4.4
173.04507	10.1
177.09103	8.1
179.03363	8.1
191.05554	61.8
203.07002	5.7
205.12300	15.9
209.11841	3.5
221.08243	17.3
222.08354	8.4
227.03372	5.6
229.26311	4.5
235.19029	3.7
251.07608	5.1
255.03036	5.0
256.26837	4.2
271.09775	3.8
284.03259	9.2
285.04022	6.4
293.09012	3.9
311.09763	6.0
331.17560	43.0
373.18695	64.6
374.18750	9.5
375.16855	3.8
383.13422	15.3
384.13773	11.5
385.14069	7.5
447.09122	8.2
513.35278	4.0
919.30872	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23592	22.6
69.24019	17.6
71.01252	100.0
72.99191	5.7
73.02818	35.8
82.82673	2.9
83.01243	19.0
85.02816	46.6
87.00724	3.7
89.02314	30.6
95.01263	5.2
97.02810	4.5
99.00762	6.4
101.02316	67.3
113.02330	44.8
119.03388	12.5
125.02326	3.7
131.03416	3.9
135.04390	3.4
138.01837	3.7
143.03441	5.3
146.16786	3.8
149.04411	3.2
153.36763	2.9
159.02907	4.0
161.04456	30.0
171.74385	3.6
179.05475	6.8
189.12743	19.6
191.05499	9.2
207.13844	4.1
341.12497	4.5
359.13364	40.8
369.19125	9.0
387.20276	37.9
401.14404	17.6
429.21240	30.9
460.51260	3.5
464.20709	4.0
606.89691	3.4
625.38574	3.4
932.06769	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03838	0.8
67.01785	0.4
68.27203	0.3
70.21593	1.8
71.01259	0.8
73.96338	0.3
77.81634	0.3
91.05406	4.4
93.03333	1.5
101.02336	0.6
107.04904	0.4
109.02831	7.5
121.02842	6.3
123.04378	0.5
133.02841	2.2
134.03632	1.0
135.04414	48.7
136.04744	1.6
137.09613	1.3
147.04404	3.4
149.06055	1.0
156.30708	0.4
159.04434	5.6
161.06009	0.6
163.04001	0.4
163.11360	0.4
173.05974	0.8
174.03069	0.5
175.03845	0.4
177.05582	0.5
189.05379	0.4
189.09166	0.8
191.05527	1.0
191.10617	0.6
193.08374	3.5
201.05547	0.4
201.09204	0.8
202.09888	0.6
209.11887	0.4
217.12277	7.4
247.07074	0.3
253.07167	0.6
265.08478	0.4
277.08426	1.3
279.08755	2.0
291.06390	15.4
292.06738	1.0
303.06387	25.4
304.06802	1.8
305.07971	1.3
317.07852	0.6
323.12793	1.0
331.09396	0.7
331.17715	2.1
339.15994	16.0
340.16296	1.7
345.11063	0.6
346.11835	2.1
361.14209	100.0
362.14526	9.4
363.16055	0.5
379.13864	0.6
403.15012	0.6
421.15134	0.8
445.16452	0.8
475.16217	0.4
483.20270	31.1
484.20526	3.1
505.18433	20.3
506.18915	2.6
523.19330	5.4
524.19623	0.7
537.73871	0.4
543.22418	4.1
544.22815	0.4
565.20502	7.8
566.21027	0.8
671.33887	1.1
875.40387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.0
71.01254	89.7
72.01597	2.1
72.99187	4.2
73.02818	100.0
74.03147	1.7
75.26977	1.2
75.82571	1.2
81.01829	1.5
83.01251	33.4
84.01591	1.4
84.67194	1.2
85.02827	12.8
87.00755	4.4
89.02311	19.4
93.03333	4.2
94.93005	1.3
95.01248	4.0
95.14861	1.2
97.02835	1.9
99.00772	1.8
100.99268	1.3
101.02322	91.1
102.02630	1.8
109.02822	3.8
113.01530	1.9
113.02320	38.7
114.02667	1.4
119.03375	12.2
124.12521	1.4
125.02331	5.5
131.03369	8.5
135.04420	2.7
137.02368	2.6
143.03387	10.8
149.04460	14.2
151.00333	1.8
152.01123	1.5
155.03423	2.9
161.04466	28.3
161.05824	2.0
173.04463	1.8
179.05614	1.5
191.05505	10.4
203.05478	3.7
221.06586	7.0
285.04135	1.4
337.09299	1.5
373.22211	3.2
413.21701	2.2
415.23288	7.8
459.20609	1.5
466.10321	1.5
858.14606	1.6
917.30005	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18258	1.2
69.03343	3.3
69.20238	1.3
71.01255	77.3
72.01567	1.1
72.99181	4.2
73.02822	100.0
74.03170	1.7
75.00748	3.0
75.23756	1.2
81.03341	1.8
83.01260	27.7
85.02824	12.7
87.00754	5.2
89.02319	15.1
93.03311	2.9
95.01250	4.3
96.95864	1.4
97.02808	2.7
99.00756	2.6
101.02324	81.7
102.02644	1.9
109.02861	2.9
113.02335	32.1
115.00245	1.2
119.03387	12.0
125.02332	3.6
131.03403	7.4
135.04443	3.1
137.02318	1.5
143.03412	9.4
149.04454	13.5
151.03836	1.3
155.03386	3.4
159.02803	1.2
161.02420	1.5
161.04475	31.7
162.04750	1.9
173.04453	3.0
175.03828	1.2
185.15921	1.2
191.05489	9.8
203.05486	3.4
221.06549	7.2
283.13446	1.5
373.22253	6.5
415.23447	7.3
452.59351	1.4
552.08575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48607	1.9
68.11037	2.5
71.01247	9.4
71.30359	5.9
81.03303	2.3
83.04875	2.2
84.59510	2.3
85.02831	19.8
85.25795	2.1
87.00765	6.6
88.63165	2.2
93.03345	13.1
98.09521	2.0
101.02332	2.3
107.04879	3.2
109.02853	4.8
111.04441	2.8
113.02317	3.2
116.43646	2.5
119.04887	4.2
123.04383	2.9
127.03891	4.8
135.04405	6.7
137.02243	2.4
137.05962	6.6
137.65154	1.9
138.05504	4.6
145.02870	2.5
147.04372	2.9
150.05510	4.0
161.02330	5.2
167.03352	2.1
168.59471	2.3
173.04466	6.6
174.03178	3.8
175.03926	4.6
179.03368	2.5
179.07025	2.6
191.05539	100.0
192.05937	4.5
201.01831	4.5
233.04453	4.7
238.08678	2.3
241.09711	3.3
247.57634	2.1
247.76524	2.3
248.07040	4.8
250.05038	6.6
251.05562	4.8
253.03795	6.6
263.05859	5.8
264.06720	16.8
265.06812	2.2
266.08337	10.9
276.06595	2.5
280.06110	3.0
281.09280	7.1
282.07532	5.0
292.06125	17.4
293.06830	4.8
294.07706	3.7
295.05005	11.0
309.06488	8.1
310.07269	10.8
319.04755	3.7
320.05539	3.2
322.07184	2.8
324.08878	5.0
336.05197	5.0
337.05444	2.0
351.07031	3.1
354.06439	3.2
356.12845	2.3
399.13324	10.4
401.11017	2.4
415.13101	2.7
432.14423	4.4
443.12469	10.5
469.10645	2.7
475.14984	6.3
487.11255	2.8
501.13217	3.7
519.14111	6.2
531.10870	3.3
540.26556	2.8
545.11792	3.0
563.13007	49.9
564.13593	6.9
581.14056	6.2
584.24207	2.2
711.20410	9.7
725.18365	7.6
755.19415	89.2
756.19385	14.6
917.25000	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00203	0.9
71.01260	2.8
71.57872	0.6
72.01570	0.4
73.02847	0.5
76.03045	0.3
83.00625	0.4
83.01251	0.7
83.45648	0.4
85.02865	0.8
89.02322	2.2
93.03323	1.0
99.04432	0.8
99.87050	0.4
100.04784	0.4
101.02332	1.3
103.40871	0.3
103.41568	0.4
107.01274	0.8
108.02130	0.5
109.02827	0.8
113.02355	0.6
113.99402	0.4
119.03394	0.8
121.02847	0.5
125.02306	0.5
135.00667	0.4
135.04369	0.4
136.60959	0.5
151.00264	4.0
152.00693	0.6
153.01848	1.0
163.00296	1.1
173.04468	1.0
178.99780	2.9
191.05551	2.9
192.05847	0.5
198.03085	0.4
199.03918	0.5
201.01869	0.4
207.13869	1.5
209.11792	2.4
210.12164	0.8
216.04152	0.4
225.14978	1.0
226.02679	3.6
226.15421	0.5
227.03426	1.4
243.02965	7.5
244.03368	1.0
251.12933	0.6
254.02184	3.6
255.02917	5.3
256.03235	1.2
257.03622	0.6
269.13937	8.5
270.14301	4.6
271.02475	42.3
271.14288	1.8
272.02939	4.6
273.03308	0.7
299.01898	0.8
300.02747	46.3
301.03320	14.2
302.03625	3.0
303.04056	1.1
343.04587	0.7
430.70413	0.4
449.14194	0.5
449.20261	12.7
450.14346	0.8
450.20642	12.8
451.09076	0.5
451.15063	1.0
451.20929	12.7
452.21054	1.2
462.07635	0.6
463.08826	100.0
464.09180	11.9
465.09277	3.3
466.09781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	2.9
69.51202	12.5
71.01257	100.0
72.99184	5.3
73.02822	68.8
73.42120	1.4
83.01264	24.1
85.02822	20.6
87.00764	3.8
88.74955	1.4
89.02322	50.5
93.03374	1.7
95.01264	8.8
97.02817	2.1
98.19751	2.1
99.00751	2.1
101.02325	86.1
113.02334	44.4
114.02664	2.3
119.03394	24.7
125.02363	1.7
131.03413	8.6
143.03392	8.7
149.04495	14.8
155.03355	1.8
160.24023	1.6
161.04474	25.0
176.77664	1.5
179.03979	1.9
179.05511	12.4
191.05525	3.0
203.05563	3.7
221.06628	6.3
371.20728	17.4
381.19412	1.8
413.21902	22.7
414.22330	1.8
586.19385	1.6
592.75598	1.6
617.74628	1.5
821.50482	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41749	2.8
67.43304	2.7
68.68020	3.2
69.03308	3.5
71.01254	100.0
71.58143	4.3
72.99225	3.1
73.02822	40.4
77.95993	2.7
83.01264	15.5
83.04877	4.7
85.02827	41.9
87.00758	5.0
89.02323	26.3
93.03343	7.1
95.01275	7.3
96.95873	4.5
99.00778	7.4
99.04400	8.1
101.02321	58.8
109.02836	5.2
111.00698	3.7
113.02338	42.4
119.03387	12.8
122.03632	4.0
125.02320	8.2
131.03409	3.9
135.04439	5.1
143.03407	7.3
151.00328	3.3
151.03932	22.4
153.01744	5.1
161.04460	37.5
173.04454	6.6
179.03326	4.0
179.05530	9.6
191.05588	36.2
193.18063	3.1
203.05534	21.0
209.15375	4.6
371.20636	24.3
413.21866	42.6
457.13501	4.3
551.23865	3.3
652.20758	4.1
730.45892	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30907	0.5
71.58875	0.9
77.42538	0.4
78.95777	1.8
105.09784	0.5
121.02823	1.4
122.03651	2.8
149.02347	23.6
150.03131	2.6
152.00995	0.5
152.99486	1.8
161.02342	10.3
162.02946	0.6
165.32312	0.5
173.04576	0.6
173.52495	0.5
175.03946	1.8
189.05460	2.6
204.07828	1.2
245.04276	1.3
253.21719	0.8
273.14957	100.0
274.15237	7.0
289.14612	1.1
302.16879	0.5
481.25766	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27151	1.4
69.47749	10.6
71.00885	3.2
71.01259	33.5
73.02818	13.0
83.01279	5.6
85.02835	21.1
87.00774	1.8
89.02322	6.4
89.89478	1.6
95.01273	3.2
97.02843	1.9
99.00753	4.5
101.02325	25.8
113.02338	21.3
119.03405	2.9
137.09665	2.7
143.03314	1.7
151.91519	1.5
161.04469	10.7
209.15512	8.0
297.55991	1.8
353.19678	34.1
354.20111	2.9
371.20712	51.9
372.21167	3.9
413.21835	100.0
414.22000	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52064	1.3
69.03339	4.2
69.48345	7.7
69.48764	3.9
71.01259	100.0
72.01604	3.7
72.99185	6.5
73.02824	77.3
74.03165	2.5
75.00738	1.5
75.35201	1.1
81.03355	1.3
83.01264	29.5
85.02827	25.6
86.03145	1.3
87.00768	4.1
89.02327	17.8
93.03350	4.1
95.01248	6.4
96.95895	2.2
97.02821	2.1
98.19738	1.2
99.00753	4.4
99.04449	1.4
100.99139	1.3
101.02328	93.6
102.02666	4.2
103.02834	1.6
107.04897	2.0
108.02069	2.6
109.02850	7.0
111.04501	1.4
113.02338	47.3
114.02692	4.8
119.03382	10.6
120.57255	1.2
125.02338	4.2
126.02803	1.4
131.03406	9.4
135.04434	5.7
137.02335	3.0
137.09619	2.0
143.03406	10.8
147.02951	1.6
149.04446	14.5
150.03169	1.6
151.00356	1.5
152.01059	2.2
153.01880	1.8
155.03391	3.6
159.04425	6.4
161.02412	2.1
161.04475	27.7
162.04790	2.7
165.05479	1.4
173.04535	3.5
177.01804	1.4
189.05621	1.5
189.12799	3.8
191.05528	16.5
203.05547	3.0
209.15390	1.8
221.06554	6.9
269.08340	2.4
300.02832	1.5
348.56085	1.6
353.19608	1.5
371.20764	14.9
372.21204	2.5
411.20361	2.6
413.21936	11.7
794.07709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	1.3
71.06744	0.5
71.07083	1.3
73.77515	0.5
75.28258	0.6
76.56086	0.6
76.56551	0.5
77.27506	0.5
78.95778	28.0
81.04127	0.5
89.02320	0.8
96.51643	0.6
96.95922	0.5
110.98421	43.1
113.02336	0.9
114.91253	0.7
146.00308	0.5
152.99513	4.4
167.01039	2.0
174.62207	0.6
185.02138	100.0
186.02446	1.4
209.11856	0.9
253.21716	35.4
254.22131	1.7
255.23262	3.6
272.08389	0.6
277.21710	4.3
397.13660	3.2
421.23618	37.0
422.23892	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	7.0
72.99195	1.1
79.16695	0.5
83.01264	0.7
85.02830	1.7
87.00787	0.8
89.02328	4.9
91.01698	0.4
93.03348	0.8
95.01287	0.7
99.04395	3.1
101.02320	3.1
106.53210	0.5
107.01263	0.6
108.02076	0.6
113.02345	1.8
116.52176	0.5
119.03392	1.3
121.02836	0.6
151.00314	4.1
162.63980	0.6
163.00348	1.4
165.12820	2.5
173.04483	1.3
178.99782	2.0
189.12767	0.9
191.05539	4.5
199.03923	0.6
207.13844	5.3
209.11768	12.2
213.09166	1.0
225.14896	5.2
227.03459	1.0
231.22246	0.5
243.02939	3.8
251.13025	2.8
254.02246	0.8
255.02982	7.8
256.03372	0.8
257.08209	1.1
269.13947	38.3
270.14301	1.7
271.02493	20.0
272.03046	2.8
275.09256	1.2
277.01678	0.6
277.18954	0.5
283.02454	0.8
287.15005	1.0
299.01987	0.9
300.02753	28.8
301.03494	13.4
302.03906	1.1
430.08221	0.7
449.20288	100.0
450.20734	7.1
463.08890	29.1
463.15518	1.1
464.09229	3.2
554.03833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52064	1.3
69.03339	4.2
69.48345	7.7
69.48764	3.9
71.01259	100.0
72.01604	3.7
72.99185	6.5
73.02824	77.3
74.03165	2.5
75.00738	1.5
75.35201	1.1
81.03355	1.3
83.01264	29.5
85.02827	25.6
86.03145	1.3
87.00768	4.1
89.02327	17.8
93.03350	4.1
95.01248	6.4
96.95895	2.2
97.02821	2.1
98.19738	1.2
99.00753	4.4
99.04449	1.4
100.99139	1.3
101.02328	93.6
102.02666	4.2
103.02834	1.6
107.04897	2.0
108.02069	2.6
109.02850	7.0
111.04501	1.4
113.02338	47.3
114.02692	4.8
119.03382	10.6
120.57255	1.2
125.02338	4.2
126.02803	1.4
131.03406	9.4
135.04434	5.7
137.02335	3.0
137.09619	2.0
143.03406	10.8
147.02951	1.6
149.04446	14.5
150.03169	1.6
151.00356	1.5
152.01059	2.2
153.01880	1.8
155.03391	3.6
159.04425	6.4
161.02412	2.1
161.04475	27.7
162.04790	2.7
165.05479	1.4
173.04535	3.5
177.01804	1.4
189.05621	1.5
189.12799	3.8
191.05528	16.5
203.05547	3.0
209.15390	1.8
221.06554	6.9
269.08340	2.4
300.02832	1.5
348.56085	1.6
353.19608	1.5
371.20764	14.9
372.21204	2.5
411.20361	2.6
413.21936	11.7
794.07709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	2.0
71.01254	68.2
72.99176	2.9
73.02821	72.7
75.00761	2.8
83.01261	26.6
85.02831	14.9
87.00754	3.2
89.02316	25.3
95.01267	4.5
96.08216	1.2
97.02840	1.8
98.20569	2.9
101.02327	100.0
105.84916	1.2
106.77988	1.1
113.02336	50.3
119.03381	17.4
125.02341	4.8
129.87837	1.2
131.03415	12.0
137.09616	20.5
143.03413	15.5
149.04466	23.5
155.03407	3.4
161.04462	46.3
179.05527	4.5
189.12753	4.7
191.05435	1.9
203.05559	5.6
221.06636	16.1
229.32544	1.7
391.90604	1.6
411.20178	4.6
446.84482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51090	2.3
69.46640	19.2
71.01247	2.6
72.32482	2.1
73.02836	2.1
90.41693	2.2
93.03314	2.5
108.02065	2.3
109.02831	3.3
116.76067	2.0
138.86311	2.0
151.00275	7.8
153.01833	2.3
157.46294	2.0
178.99785	3.3
191.05592	9.5
227.03439	28.2
243.02827	11.5
255.02983	53.9
256.03534	6.6
271.02463	36.5
272.03192	5.9
284.03287	36.5
285.03976	13.0
300.02744	50.8
301.03534	21.9
447.09323	89.9
448.09576	3.7
463.08835	100.0
464.09006	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.6
71.01255	63.6
71.45930	1.6
72.99204	2.6
73.02823	66.3
80.66210	1.3
83.01259	25.3
85.02829	11.1
87.00784	2.6
89.02319	21.4
95.01254	5.0
97.02834	2.6
101.02326	100.0
102.02605	1.9
113.02338	52.2
118.94288	1.5
119.03393	16.1
121.06510	1.7
125.02344	3.7
131.03427	12.7
133.35614	1.5
137.09627	20.8
137.10631	2.3
143.03407	15.5
149.04460	25.8
155.03398	3.9
161.04472	46.1
179.05554	3.0
189.12743	5.0
203.05597	7.1
207.13783	2.1
221.06607	16.9
225.47003	1.4
294.03714	1.4
411.20041	11.1
912.61963	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02253	5.1
65.00185	11.8
71.01223	5.0
71.06850	7.2
76.12855	2.6
79.13625	2.7
83.01256	8.3
85.02820	3.5
87.00770	3.0
87.47196	2.6
93.03305	6.5
95.01242	3.1
107.01274	23.8
108.02088	4.1
109.02850	5.7
111.41646	2.5
113.02360	3.5
124.01560	16.7
125.02284	3.5
135.04359	5.3
137.02397	3.0
139.32576	2.7
146.03615	3.4
151.00282	73.3
152.01064	61.9
153.01779	8.0
161.05899	3.3
169.01343	13.2
178.99788	92.2
180.00151	3.6
191.05626	6.3
193.01341	7.7
271.02377	3.8
299.02051	5.4
300.02734	6.6
313.08658	2.9
345.07767	5.1
357.08017	5.1
367.75772	3.5
393.09479	3.8
403.08310	9.3
405.10168	6.1
433.09982	3.5
567.09753	4.1
585.10370	13.0
747.15790	54.1
747.28931	3.6
748.15576	10.4
909.20886	100.0
910.20807	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02256	8.6
65.00189	11.1
69.16788	3.4
71.01262	8.8
75.00742	3.8
80.33887	3.5
83.01237	8.3
85.77627	3.2
89.02357	5.2
93.03323	3.8
95.01286	3.8
100.83611	3.2
107.01282	30.4
124.01560	11.2
125.02334	4.3
135.04355	4.7
135.75682	3.3
149.02368	3.3
151.00290	81.1
152.01080	29.5
153.01799	7.5
161.96861	3.8
169.01326	13.1
173.29619	3.8
175.00269	3.7
178.99770	100.0
191.05566	6.3
192.00620	4.8
193.01360	14.7
203.03491	6.8
226.02640	5.6
227.03426	13.4
242.02330	4.3
253.01352	5.6
254.02190	10.8
255.02882	20.6
256.03461	4.6
267.02869	5.4
271.02600	8.6
281.01013	4.3
315.06793	4.8
317.04596	5.9
331.06189	6.8
389.02878	9.9
389.06793	10.5
401.60083	3.4
405.06476	6.8
406.03180	5.7
407.04132	11.2
411.07617	3.5
447.03287	4.4
567.05591	8.1
585.06665	10.7
747.12238	67.4
748.12164	8.8
877.97491	4.4
909.17322	98.8
910.17755	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02256	8.6
65.00189	11.1
69.16788	3.4
71.01262	8.8
75.00742	3.8
80.33887	3.5
83.01237	8.3
85.77627	3.2
89.02357	5.2
93.03323	3.8
95.01286	3.8
100.83611	3.2
107.01282	30.4
124.01560	11.2
125.02334	4.3
135.04355	4.7
135.75682	3.3
149.02368	3.3
151.00290	81.1
152.01080	29.5
153.01799	7.5
161.96861	3.8
169.01326	13.1
173.29619	3.8
175.00269	3.7
178.99770	100.0
191.05566	6.3
192.00620	4.8
193.01360	14.7
203.03491	6.8
226.02640	5.6
227.03426	13.4
242.02330	4.3
253.01352	5.6
254.02190	10.8
255.02882	20.6
256.03461	4.6
267.02869	5.4
271.02600	8.6
281.01013	4.3
315.06793	4.8
317.04596	5.9
331.06189	6.8
389.02878	9.9
389.06793	10.5
401.60083	3.4
405.06476	6.8
406.03180	5.7
407.04132	11.2
411.07617	3.5
447.03287	4.4
567.05591	8.1
585.06665	10.7
747.12238	67.4
748.12164	8.8
877.97491	4.4
909.17322	98.8
910.17755	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02258	10.4
65.00195	17.7
68.69174	2.2
69.57533	19.7
71.01253	8.5
73.02834	3.4
83.01229	11.6
85.02810	3.7
89.02346	4.2
93.03318	5.4
93.61136	2.6
95.01251	4.4
96.37112	2.4
102.39526	2.1
107.01276	36.8
109.78718	2.1
111.00694	2.9
123.00761	3.6
124.01572	14.1
124.93062	2.6
125.02328	5.2
135.04411	8.6
136.67827	2.3
138.05551	2.8
150.79205	2.3
151.00276	89.8
152.01074	48.6
153.01878	15.0
161.02351	3.3
163.00232	6.3
168.04170	3.1
169.01346	14.7
170.40596	2.4
174.65884	2.4
175.03986	5.8
178.99786	100.0
180.00099	3.1
183.06560	5.7
191.05542	6.9
192.00568	4.7
193.01389	12.3
203.03423	5.7
214.02560	3.4
226.02716	5.0
227.03365	8.5
237.01825	5.7
239.03505	4.5
242.02238	2.9
243.02917	3.4
253.01419	5.2
254.02122	10.3
255.02963	11.2
269.00970	2.7
271.02408	8.0
279.02829	2.9
281.00821	3.7
283.02472	5.1
295.02304	3.9
299.01868	4.0
327.47348	2.5
331.06058	4.0
333.03943	3.4
333.07855	3.4
345.10715	5.5
359.05582	3.6
389.02353	12.4
389.06781	8.9
390.03403	3.3
391.04565	3.0
401.18112	15.0
403.04419	7.2
405.05893	4.9
406.02969	3.2
407.04132	11.9
417.02548	3.7
433.01770	5.1
459.03687	2.5
507.16437	2.5
567.05450	7.8
569.09229	4.6
583.03784	2.9
585.06586	18.2
671.34558	2.6
747.12073	67.7
748.12000	11.1
909.17780	80.6
910.17883	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69884	4.8
71.01258	60.7
71.58167	10.0
72.99194	4.6
73.02818	16.3
83.01246	10.0
85.02835	24.7
89.02309	14.4
93.03329	6.1
99.00780	5.7
101.02333	38.9
106.66494	4.5
113.02326	26.8
119.03400	5.3
133.02835	13.2
135.04396	6.8
146.52963	4.6
159.02879	5.3
161.04442	36.9
169.09647	4.7
173.04485	9.9
177.01857	7.2
191.05521	15.7
247.11838	18.4
265.12891	100.0
307.14029	99.5
308.14447	4.7
331.59528	4.8
351.07196	10.1
351.16498	7.8
416.05472	9.1
417.06125	5.6
495.80402	5.3
549.25464	17.4
621.12366	13.6
857.18762	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.6
71.01249	18.4
71.04871	2.2
73.02812	3.0
85.02808	3.2
87.00742	2.5
89.02315	6.6
95.01231	1.6
96.95885	1.3
97.02835	6.3
97.06493	2.3
99.00749	17.0
101.02328	11.9
109.06480	2.1
111.04327	1.2
113.02310	4.5
119.03362	1.9
125.02346	3.1
125.09625	6.4
126.46335	1.0
141.01701	1.5
142.02634	1.3
158.04631	1.1
161.04440	2.6
163.11200	8.9
171.10194	11.6
177.38974	1.2
179.05536	2.1
181.12234	13.3
191.79002	1.0
197.11725	2.1
199.13301	10.6
201.11224	4.7
202.53537	1.2
204.69408	1.2
207.10196	32.0
208.10411	1.2
211.13120	1.0
221.06624	4.3
221.54167	1.3
225.11275	48.0
226.11629	3.1
243.12350	23.4
254.10765	1.0
265.14597	1.3
275.75946	1.1
277.21707	21.9
278.22079	2.3
298.33826	1.2
379.12250	1.7
397.13391	10.4
415.14584	4.1
424.62650	1.1
438.23590	1.1
623.25403	2.4
641.26483	4.4
679.09985	1.3
707.29102	1.2
791.83380	1.2
883.46899	2.5
901.47919	100.0
902.48370	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02269	0.7
65.00198	0.6
69.99467	0.8
69.99891	1.3
71.01255	1.1
83.01242	0.5
89.02346	0.6
93.03305	0.4
98.19753	0.4
101.02321	0.5
107.01290	1.5
108.02067	1.0
109.02837	0.9
113.02325	0.6
117.94328	0.3
121.02851	1.4
137.02376	0.4
144.20328	0.3
148.01582	1.2
149.02353	0.6
151.00273	6.3
152.00819	0.3
159.04424	0.3
163.00247	1.9
164.01048	0.7
169.01323	0.5
178.99750	3.3
185.82936	0.4
191.05507	0.4
199.03740	0.3
211.03860	0.8
216.04187	0.5
225.10765	0.3
226.02673	1.1
227.03456	1.5
229.04919	0.5
235.35475	0.3
243.02962	6.4
244.03310	0.5
245.04454	1.1
254.02199	1.4
255.02994	16.0
256.03375	1.3
271.02484	32.5
272.02957	2.5
273.04007	1.1
283.02411	1.0
299.01926	0.9
300.02756	68.4
301.03491	31.1
302.03842	1.5
339.14453	0.4
357.15369	0.8
399.16653	2.1
463.08838	100.0
464.09183	8.5
482.77686	0.4
485.23328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00203	5.7
67.25183	2.1
68.26637	2.2
71.01263	14.1
71.58539	2.6
71.58912	3.6
73.02808	4.7
85.02802	5.9
87.00759	3.0
89.02312	6.7
93.03341	10.6
93.63614	2.1
95.01286	3.7
96.73236	2.2
96.95893	10.2
97.02833	2.5
98.63268	2.1
101.02315	7.1
107.01273	3.3
108.02086	5.7
109.02845	11.5
113.02316	6.9
121.02861	21.5
123.04406	2.6
124.01512	2.3
125.02328	3.3
135.04402	10.4
137.02336	4.7
145.02827	2.7
147.04405	3.4
149.02345	4.7
151.00296	8.1
152.01036	6.2
153.01851	3.6
159.04347	3.8
161.02261	5.5
161.04485	2.5
163.00237	3.9
173.04471	2.9
175.00301	3.0
178.99780	5.4
179.03430	2.7
183.13837	3.3
185.06047	3.5
187.03735	2.7
187.45404	2.5
191.05542	19.4
201.01918	2.5
215.03468	3.8
227.03421	10.6
227.12784	4.4
229.05098	11.1
240.04373	3.4
241.04805	2.6
243.02992	5.0
255.03032	7.6
255.06589	3.7
267.06525	2.9
269.04816	2.9
269.08066	5.3
271.02554	19.7
271.09824	4.5
281.08414	2.9
284.03253	5.2
285.04031	5.3
299.01996	37.5
300.02710	20.9
301.03430	4.1
315.07208	4.7
333.35117	2.4
335.05612	6.5
361.06915	4.1
375.09045	3.5
379.08197	8.9
389.10303	6.3
399.21692	3.3
403.11810	5.8
404.12451	5.0
405.13760	5.6
419.11423	5.0
421.12698	3.9
425.19711	3.8
443.20679	5.9
447.09482	3.4
559.24347	3.2
575.22821	4.8
577.24854	3.9
592.23187	7.2
593.24036	24.4
608.13666	18.5
609.14160	4.9
729.24042	8.8
730.24463	4.1
797.46204	4.1
815.15656	2.8
815.47925	5.1
857.44983	2.8
883.34119	8.7
901.35120	100.0
902.35376	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	5.8
65.75640	1.2
66.53407	1.4
69.03349	1.7
70.87917	2.3
70.88235	2.4
71.01266	18.6
72.99161	1.9
73.02817	4.6
83.01257	2.1
85.02824	11.0
87.00733	3.1
89.02315	5.3
93.03336	10.2
95.01266	2.7
96.95887	7.2
97.02814	1.7
99.00739	2.3
101.02337	12.1
107.01237	1.8
108.02058	3.4
109.02847	9.7
113.02341	8.1
119.03374	3.6
119.04877	2.4
121.02855	30.3
123.00800	1.3
124.01533	1.6
125.02348	2.6
133.02824	3.2
135.04404	4.5
137.02330	3.0
139.03862	3.0
145.02811	2.0
149.02328	5.2
151.00266	3.9
151.03825	1.4
152.01038	2.8
153.01796	2.0
159.04402	2.8
161.02336	2.5
161.04558	1.8
161.06165	1.5
163.03796	1.8
173.04469	2.4
173.05832	1.5
175.00255	3.7
175.03889	2.2
177.01796	2.4
179.03285	1.8
183.08105	1.3
185.06081	2.0
185.09622	2.0
188.04549	1.5
189.01897	1.5
189.09119	1.6
191.05589	7.5
197.06058	1.6
199.03947	3.3
201.01825	2.4
203.03386	6.1
203.10721	2.7
204.03886	1.4
209.05946	1.5
211.07549	1.7
213.05388	1.6
214.02556	1.7
215.03391	4.0
225.01726	1.7
225.09125	1.4
227.03427	10.7
227.10756	2.3
229.04997	10.7
231.06575	2.1
239.03641	1.5
240.04282	1.7
241.04997	4.3
242.05807	1.4
253.05164	2.1
255.03021	8.0
255.06540	10.0
267.06717	3.3
269.08127	6.0
271.02515	5.6
271.09756	9.4
279.06705	1.5
281.08112	1.8
283.02521	10.1
284.03302	7.8
285.03952	5.8
299.02026	10.1
299.09131	2.5
300.02625	5.9
301.03253	2.7
309.04181	1.7
309.07587	2.0
313.03506	3.1
315.07257	2.3
325.03525	3.2
337.07553	1.5
351.04883	2.2
353.06747	4.5
355.11780	3.7
363.08615	2.5
366.07190	1.7
373.12799	6.1
377.06656	5.0
379.08084	5.8
381.20679	2.4
391.08310	2.4
399.21707	3.7
403.11801	3.7
405.09256	8.4
407.11060	1.7
407.18631	2.7
419.11401	6.6
420.11990	6.3
421.12979	9.3
425.19626	9.1
443.20657	5.8
445.13031	2.1
446.08459	1.9
447.09305	7.7
464.13794	1.7
523.15558	1.8
557.21124	1.8
559.23053	1.4
575.22791	12.4
576.23309	3.9
577.24951	2.8
592.22968	4.1
593.23926	32.5
594.24536	4.8
608.14032	3.7
635.39679	1.9
653.41010	3.3
713.39227	1.4
729.24188	4.9
739.31036	2.4
797.45746	12.2
815.46777	13.3
857.47876	8.7
858.48273	2.8
883.33777	13.8
884.33514	2.2
901.34991	100.0
902.35461	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32567	1.0
71.01284	2.6
71.92911	1.0
82.65476	0.9
84.92470	0.9
85.02811	8.4
87.00757	1.9
93.03339	6.4
98.19740	2.2
109.02815	2.6
113.02289	1.4
121.02866	3.5
125.02287	1.3
130.59061	1.1
135.04413	1.9
148.01567	3.5
151.00253	1.8
168.84053	1.1
171.02963	1.1
173.04427	3.5
191.03752	1.7
191.05536	34.8
195.04439	1.2
199.03973	1.8
211.04007	2.3
213.05489	2.6
223.03976	11.1
225.05621	1.1
225.07701	1.3
235.04039	2.9
238.02748	1.1
239.03418	9.5
240.04123	1.9
241.04819	2.6
242.05733	1.3
251.03453	2.8
252.04291	1.6
255.02872	2.2
266.02240	3.7
267.02975	25.8
268.03510	2.0
269.00937	1.8
269.04666	2.7
279.02936	7.3
280.03656	4.3
281.04462	2.2
285.04031	3.7
295.02411	4.3
297.04062	1.3
299.84589	1.1
308.03296	1.8
315.06668	2.6
331.06201	1.3
342.05157	1.9
343.06091	3.2
344.06812	1.9
353.04446	1.8
353.08783	1.6
359.05743	6.4
370.04816	1.8
371.05548	5.3
387.05154	6.5
388.05762	3.4
389.06314	2.1
408.67569	1.2
415.99792	2.6
416.05365	51.8
417.06076	25.2
434.06473	12.0
435.06970	4.4
460.04346	1.4
461.04996	3.9
538.60657	1.4
597.12921	1.4
621.12451	100.0
622.12708	11.5
623.10443	1.5
639.13568	21.0
640.14209	3.0
653.11652	1.6
665.11346	10.8
666.12756	1.5
813.18134	1.4
815.16339	2.3
857.17755	21.1
858.17822	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02277	0.6
63.66924	0.4
65.00191	2.1
71.01249	0.7
71.57795	0.7
71.58197	0.5
82.88322	0.4
83.01281	1.0
87.00803	0.5
96.95888	6.1
96.96780	0.5
107.01272	2.9
108.02055	0.5
109.02831	1.1
109.32643	0.5
110.45264	0.5
119.01311	0.5
121.02811	2.1
124.01501	0.5
133.02817	0.5
135.04379	0.7
140.22975	0.5
143.04997	1.1
145.02812	0.9
151.00272	10.8
155.04958	1.3
157.02890	1.1
159.04413	1.3
161.02338	0.7
163.00278	0.9
169.01372	0.8
169.02748	0.7
171.04413	1.8
171.10254	0.5
178.99792	3.1
182.03703	0.9
183.04408	2.9
185.02330	0.7
187.03932	1.4
191.05565	1.7
199.03938	8.7
201.01868	0.8
203.03464	1.4
209.04472	1.6
211.03976	0.7
215.03499	2.8
227.03438	7.0
240.11214	0.5
242.02341	0.6
243.02936	14.6
243.05356	0.9
254.05583	0.5
255.02962	13.5
256.03464	0.7
271.02475	37.4
272.02884	2.7
283.02460	1.3
284.03250	2.0
285.04071	2.6
297.04028	1.0
299.01950	100.0
300.02649	27.2
301.03482	13.6
302.03836	0.5
313.03534	1.1
314.04224	1.0
353.06708	0.6
405.16724	0.5
421.12988	0.9
462.08325	0.6
463.08795	11.6
464.09036	0.6
491.08356	0.8
575.23212	0.6
593.23224	2.4
608.13800	72.4
609.14130	9.6
729.24158	1.0
883.33990	0.6
901.34943	6.5
902.35168	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	5.8
71.01256	13.6
71.04881	1.7
71.49944	1.7
71.50275	1.2
72.99184	1.8
73.02816	1.4
78.95784	3.3
83.01286	2.0
85.02833	3.2
87.00758	3.6
89.02300	8.9
97.02835	1.9
97.06425	1.6
101.02314	8.5
108.02067	1.2
113.02339	3.9
119.03333	1.6
122.24291	1.1
125.02317	2.5
125.09590	1.9
143.03477	1.4
151.11220	1.7
161.09613	2.9
179.10712	4.5
197.11784	35.9
198.12036	1.7
209.82899	1.1
221.06505	1.7
241.10707	1.6
277.21738	31.9
278.22244	2.2
340.13669	1.2
366.54431	1.3
397.13464	2.0
452.27740	2.2
899.46466	100.0
900.46960	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02261	4.8
65.00198	4.7
71.01225	2.9
73.02808	1.8
73.03197	1.1
78.51250	1.1
83.01256	3.5
85.02808	6.6
93.03324	2.6
95.01249	1.3
101.02343	4.8
107.01254	10.4
109.02844	3.7
113.02328	1.9
121.02877	1.6
122.03667	2.6
123.96564	1.1
125.02324	2.9
135.04401	3.0
145.62639	1.2
151.00279	33.0
151.01530	2.0
152.00999	1.8
161.02380	1.2
169.01344	8.2
177.09116	4.9
178.98224	1.8
178.99788	36.5
191.05554	16.3
201.01883	1.3
221.08176	9.6
223.04082	2.2
224.04788	3.8
225.05533	3.0
229.73344	1.3
235.03993	3.6
237.05484	2.1
239.03445	4.3
241.01404	2.4
251.03398	6.6
252.04289	10.5
253.04893	5.9
255.06725	1.1
263.03467	4.5
264.04169	2.9
279.03061	18.8
280.03781	17.9
281.04550	26.6
283.02643	1.5
291.03064	2.0
306.01688	3.2
307.02475	23.4
308.03189	3.5
309.00635	1.9
309.03906	10.1
311.02008	1.2
334.01266	2.2
335.01880	4.4
351.01483	5.7
371.05450	2.0
383.13394	4.7
399.05063	3.0
415.04657	2.3
417.06213	2.2
435.07278	1.4
443.03992	3.2
461.05145	33.9
462.05457	2.0
490.18442	1.3
623.10455	3.4
665.11487	100.0
666.11639	11.5
752.06506	1.4
914.48083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	9.0
71.58736	1.6
85.02834	3.7
87.00751	1.4
89.02335	5.3
93.03356	2.2
99.04413	5.0
101.02341	4.7
109.02844	1.4
113.02304	3.4
119.03409	1.8
135.04422	1.5
135.53928	1.2
165.12747	2.5
177.31042	1.1
187.07536	1.5
191.05540	10.6
207.13831	7.3
209.11763	17.5
210.12140	1.6
224.13383	1.2
225.14917	3.9
251.12871	3.0
269.13928	41.3
270.14255	2.5
271.02298	1.5
284.02557	1.1
300.02737	4.7
414.33334	1.2
449.20303	100.0
450.20752	9.7
505.10022	4.8
571.41339	1.4
883.70721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43797	0.9
69.03320	3.3
71.00891	1.1
71.01257	12.8
71.04886	1.0
72.99168	0.9
73.02826	2.3
81.03302	0.8
83.01248	1.5
85.02830	2.9
87.00745	2.6
89.02314	8.0
95.01261	1.5
97.02831	1.9
98.19820	2.8
99.00729	0.9
101.02327	7.0
107.09738	0.8
113.02322	3.4
119.03378	1.4
123.08024	1.1
124.76426	0.8
125.02329	2.8
125.09606	1.0
132.11942	0.8
145.02441	0.7
151.11183	1.9
152.99495	0.9
161.09651	2.0
179.10693	3.4
197.11769	53.2
198.12143	2.4
200.22740	0.8
221.06650	2.2
223.09705	1.6
235.08459	1.0
241.10858	2.8
277.21695	18.7
278.21945	1.5
376.44785	0.8
397.13409	2.2
424.50888	0.9
426.76340	0.9
564.91187	0.9
607.86200	0.8
639.25610	1.1
899.46478	100.0
900.46747	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00192	0.6
71.01246	0.8
71.58365	0.7
74.02328	0.5
80.10942	0.4
83.01255	0.7
85.02838	0.5
93.03322	0.8
96.17702	0.4
98.99321	0.3
101.02317	0.4
107.01262	1.6
108.02056	1.0
109.02838	1.0
116.04923	0.4
121.02837	1.3
125.02332	0.4
135.00764	0.5
148.01573	0.7
149.02353	0.4
151.00264	6.9
162.79222	0.3
163.00270	1.9
164.00957	0.5
169.01314	0.9
173.04466	0.6
178.99779	3.7
183.04396	0.4
191.05602	2.3
199.03897	0.7
199.26050	0.4
201.05411	0.6
203.08131	0.8
211.03891	0.6
216.04184	0.5
226.02716	0.7
227.03342	1.7
229.04945	0.7
243.02977	5.7
245.04529	0.7
245.09395	0.8
254.02164	1.8
255.02966	15.8
256.03436	1.2
262.33472	0.4
271.02469	32.5
272.02975	2.8
283.02432	0.5
290.78003	0.5
299.02002	1.1
300.02744	62.7
301.03467	25.7
302.03842	1.5
343.04593	0.5
487.70053	0.4
592.26788	0.4
609.14600	100.0
610.14948	13.3
681.29144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96089	0.6
64.96891	0.4
69.03320	0.5
69.50391	0.7
69.50800	2.5
71.01257	4.3
73.02820	0.8
78.98463	3.6
79.95605	5.5
80.96391	41.4
85.02840	1.4
87.00766	2.0
94.97379	0.7
94.97964	10.8
96.95882	1.1
97.02827	0.7
98.20677	0.4
99.00745	0.4
101.02301	1.4
106.97968	1.4
121.52330	0.4
122.97463	4.1
125.01563	0.4
125.02326	2.2
127.03912	0.6
134.97469	2.6
136.99086	0.9
148.99031	3.4
152.98529	4.6
164.98555	7.6
167.75275	0.4
182.99619	1.6
206.99638	2.3
225.00700	12.6
243.01695	1.3
263.37164	0.4
277.21774	2.2
299.04379	5.1
398.57352	0.4
577.26862	100.0
578.27258	13.1
620.11328	0.4
832.03613	0.5
893.47308	0.5
916.88025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03854	1.2
69.03329	3.8
70.39993	1.0
71.01255	95.8
71.58603	2.0
72.99192	3.7
73.02821	100.0
75.00754	1.9
83.01260	33.5
85.02818	11.8
87.00774	3.2
89.02325	16.9
91.05413	3.6
93.03336	4.6
95.01273	2.8
96.95900	3.7
97.02849	3.1
99.00746	1.5
99.04400	1.2
99.29994	1.1
101.02325	93.4
102.02712	1.5
108.02066	1.3
109.02830	6.4
113.02328	34.5
115.00293	1.2
119.03397	7.1
121.02847	5.9
125.02354	5.0
131.03404	10.1
135.04422	39.3
136.04684	1.0
137.02336	1.4
143.03406	10.6
148.05246	2.6
149.04449	15.4
155.03450	2.9
155.57007	1.1
160.05106	1.2
161.02367	1.3
161.04472	27.9
163.07550	2.4
173.04503	3.7
175.07607	3.3
177.01852	3.5
179.03424	1.4
187.70961	1.1
191.05537	17.9
191.07120	1.7
193.08664	9.2
203.05534	5.1
221.06540	6.8
315.12363	16.7
453.39594	1.3
463.10797	3.8
477.17700	23.4
478.18109	1.7
691.25165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37505	6.2
71.01254	18.4
72.99168	1.6
73.02811	2.8
83.01264	2.0
85.02830	4.4
87.00762	6.3
89.02319	17.3
97.02833	3.5
98.20393	1.5
101.02335	14.8
113.02352	9.0
119.03422	4.6
121.02901	1.9
125.02335	6.4
125.03145	1.3
127.37446	1.6
143.03427	3.8
152.99510	2.0
161.04472	2.8
171.10184	100.0
172.10533	3.4
179.05508	3.7
214.25233	1.7
235.08261	7.5
253.09389	2.4
277.21729	64.5
278.22031	3.6
287.07672	3.5
305.08725	3.7
373.02777	1.6
379.12457	13.7
397.13547	47.2
398.13797	1.8
415.14587	9.6
529.02307	1.6
551.23279	2.5
569.24268	2.3
608.53015	1.6
675.36090	3.6
889.48938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37069	1.2
69.03323	1.3
70.46184	2.2
71.01258	15.2
73.02827	2.1
78.95786	1.3
79.48728	1.2
83.01285	1.3
85.02827	3.6
87.00734	4.2
89.02309	11.9
91.82579	0.9
95.01246	1.4
97.02811	2.8
99.00725	1.1
101.02330	13.4
113.02362	7.0
116.92767	1.6
119.03395	3.5
123.68362	1.0
125.02350	8.5
127.11218	1.8
131.03319	1.1
143.03404	2.5
161.04445	3.4
167.66579	1.0
171.10184	100.0
171.65094	1.0
172.10500	3.4
173.79874	1.1
179.05501	3.7
209.11700	2.8
210.42709	1.1
217.07091	1.3
221.06656	1.7
235.08197	3.6
248.45407	1.0
259.08093	1.8
277.21719	58.9
278.22031	3.0
287.07751	2.5
305.08691	2.1
323.09940	1.3
374.83307	1.1
379.12433	13.4
392.41400	1.2
397.13498	38.4
398.14243	1.7
415.14502	8.7
536.48248	1.1
544.60059	1.2
551.23376	2.7
569.24689	2.9
744.55603	1.2
821.15283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81992	14.4
71.01250	100.0
72.99187	4.5
73.02822	24.2
74.68914	1.9
82.39154	2.5
83.01258	12.6
83.21103	2.3
85.02821	46.7
87.00735	6.4
89.02325	34.2
89.46684	2.4
90.79974	1.9
93.03351	3.2
95.01268	5.0
96.95889	2.5
97.55948	2.1
99.00750	7.9
101.02316	72.6
105.07739	2.5
113.01613	3.8
113.02332	39.7
119.03378	17.9
121.02855	3.1
125.02310	5.0
135.04402	7.2
137.02368	4.3
143.03401	8.0
159.02917	5.5
161.04448	37.2
173.04382	4.2
179.03384	4.2
179.05511	15.6
191.05528	17.7
269.10287	93.1
270.10712	6.2
275.41992	2.4
311.11371	60.1
312.11832	4.4
355.10495	3.2
371.11472	2.6
395.61594	2.4
401.17981	3.9
439.33185	2.6
514.53192	2.4
533.26038	31.4
534.26013	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4855
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98700	1.9
69.03310	1.2
71.01254	25.1
71.06754	1.4
71.91040	0.7
72.99162	1.8
73.02800	2.8
78.95765	2.1
83.01247	2.8
83.04888	0.8
85.02820	6.1
87.00751	5.6
89.02322	16.3
93.91457	0.8
95.01268	1.5
97.02834	3.3
99.00754	0.9
101.02313	14.4
111.08028	1.9
113.02333	7.9
119.03376	4.2
121.02818	0.7
125.02316	4.3
131.03386	1.4
135.45576	0.6
143.03429	1.7
150.58759	0.8
159.10080	0.8
161.04416	2.5
165.12733	6.7
179.05450	2.3
183.13837	55.2
184.14160	2.5
202.63942	0.7
209.11769	1.7
217.06917	0.8
221.06578	2.3
227.12849	4.7
235.08180	2.9
277.21722	58.1
278.22086	4.2
313.11618	0.7
379.12335	2.2
397.13535	16.4
397.22745	0.7
398.13550	1.3
415.14392	4.5
607.26172	2.4
625.26819	1.5
885.48529	100.0
886.31445	1.0
886.48706	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29778	0.6
69.03334	1.6
69.94074	5.1
71.00667	0.9
71.01255	21.6
72.99198	1.6
73.02810	3.7
78.95770	1.2
83.01241	3.4
83.41436	0.7
85.02831	5.0
87.00751	3.0
88.69750	0.9
89.02318	16.0
89.25832	0.7
91.41914	0.7
95.01278	1.5
97.02828	3.3
99.00763	1.5
101.02328	15.0
106.14752	0.7
113.02335	9.1
119.03398	4.8
125.02351	4.6
143.03355	2.0
143.13542	0.7
152.99397	0.8
161.04459	2.6
164.97891	0.9
165.12759	7.5
179.05569	4.7
183.13829	75.7
184.14159	3.1
209.11734	2.1
221.06564	2.3
227.12804	7.3
235.08186	2.5
259.45807	0.9
263.07742	1.2
277.21732	34.2
278.22070	3.2
305.08817	0.8
379.12561	1.3
397.13519	15.0
415.14670	3.9
607.25446	1.8
625.27094	3.6
867.48059	1.3
885.48535	100.0
886.31403	1.4
886.48804	26.4
896.35645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.7
71.01254	13.7
71.04877	0.4
71.06252	0.7
71.26539	0.2
72.99169	1.1
73.02463	0.3
73.02798	1.9
75.00743	0.3
78.95770	0.6
80.02559	1.1
81.03329	1.6
83.01262	1.7
83.04892	5.3
84.02042	0.8
85.02827	2.7
87.00751	3.2
89.02318	10.8
95.01238	1.3
95.04890	0.7
97.02824	1.7
99.00750	0.7
101.02325	10.0
109.02841	0.3
111.00708	0.2
111.04405	0.5
113.02334	6.0
119.03388	3.0
120.94330	0.2
124.01565	0.2
125.02331	4.5
125.05973	0.6
125.09663	0.4
131.03401	0.6
135.08034	0.7
139.03931	0.5
141.01848	0.4
143.03401	2.5
147.11665	0.3
149.04422	0.3
161.04474	2.6
163.11211	3.8
164.11505	0.4
165.12750	2.8
167.03461	0.5
179.04001	0.4
179.05547	3.6
181.12305	0.5
185.04402	0.2
191.10690	1.0
199.06062	0.4
209.11768	100.0
210.12114	5.0
217.07166	0.6
221.06561	1.8
223.13397	0.3
227.12842	10.6
228.13188	0.6
235.08188	3.9
245.06558	0.4
251.12828	1.0
253.09280	0.8
259.08011	0.6
263.07657	0.5
275.20157	0.4
277.21719	44.6
278.22101	2.8
287.07761	2.0
305.08713	1.8
323.09833	1.3
361.11249	0.4
379.12448	5.4
380.12921	0.4
397.13495	28.6
398.13773	2.0
413.18491	0.3
415.14587	8.5
416.14899	0.5
445.23093	0.3
589.25092	0.6
607.26312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94703	0.3
69.03316	1.2
69.67247	2.5
70.22446	0.4
71.01256	17.8
72.99174	1.8
73.02822	1.9
76.14919	0.3
80.02549	1.0
81.03340	1.9
83.01279	2.0
83.04902	5.2
84.02029	1.0
85.02822	3.7
87.00756	4.2
89.02320	12.3
94.66960	0.4
95.01254	1.4
95.04896	1.3
97.02825	3.0
98.78889	0.3
99.00729	0.8
101.02325	12.8
109.02858	0.6
109.06427	0.5
111.00831	0.5
111.04347	0.6
113.01610	0.7
113.02330	6.9
119.03397	4.3
121.02838	0.4
125.02346	6.0
125.05919	0.8
131.03371	0.8
133.04919	0.5
135.08037	0.8
141.01884	0.3
143.03387	2.3
161.04443	3.1
163.11192	3.7
165.12758	3.1
167.03362	0.4
179.05556	3.2
181.12236	0.6
191.05591	0.4
191.10631	1.2
192.88260	0.4
199.06168	0.4
209.11774	100.0
210.12112	4.6
217.07126	0.5
221.06628	1.5
227.12854	11.5
228.13150	0.6
235.08205	4.2
236.08490	0.7
253.09306	1.6
263.07681	0.8
277.21732	50.5
278.22049	3.2
287.07727	1.4
305.08807	1.9
323.09818	0.9
379.12408	5.1
397.13504	34.5
398.13785	2.3
415.14548	9.2
416.14722	0.9
478.97760	0.5
558.58142	0.4
607.26111	0.9
746.35370	0.4
862.83459	0.4
873.38873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13770	0.4
65.00200	0.8
71.01260	2.5
71.58698	0.6
73.02818	1.0
83.01247	0.6
85.02828	1.4
87.00744	0.6
89.02305	0.9
89.82650	0.4
93.03340	3.3
96.95885	1.3
101.02343	1.6
105.06945	0.5
107.04916	1.0
108.02071	3.3
109.02863	3.7
109.06510	0.6
111.00768	0.8
111.04404	0.5
121.02850	9.8
122.03747	0.6
125.02341	0.4
125.39101	0.4
131.08533	1.1
133.02847	2.5
133.10123	0.7
134.03616	1.3
135.04427	4.1
137.02399	0.9
139.03922	0.5
148.01579	0.5
149.06032	2.3
150.03094	0.7
151.03966	0.8
152.01016	1.0
159.04431	0.7
159.08063	8.1
161.02321	0.7
161.05991	0.9
162.03081	0.8
163.03914	0.9
164.04732	1.1
165.01884	0.8
165.05478	1.5
173.04442	2.8
175.03874	0.7
175.07599	2.3
177.01878	4.1
177.05524	10.3
177.09131	33.1
178.05853	1.1
178.09508	1.3
179.03407	1.1
179.05484	0.4
187.11153	0.6
188.04706	0.7
189.05518	2.3
191.03801	0.6
191.05545	5.5
201.05482	0.8
203.07072	17.3
204.07397	0.9
205.12250	0.8
207.06535	1.5
220.07292	0.6
221.04587	1.8
221.08141	76.4
222.08498	4.1
231.06519	0.6
233.04501	0.6
249.07613	1.6
251.05449	0.6
263.09177	0.9
284.24866	0.5
285.20468	0.4
301.03369	0.5
311.07800	3.8
351.07062	1.1
353.08841	0.5
383.13461	100.0
384.13812	6.7
393.15390	0.5
473.13199	0.6
516.02936	0.4
593.31433	0.9
649.13013	0.6
651.24139	0.4
651.96826	0.5
661.25598	0.7
705.24005	1.8
825.29041	0.6
885.30310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02279	1.3
65.00200	1.4
65.21400	0.7
66.71011	0.7
69.33916	5.9
69.34328	1.4
83.01234	1.4
92.87270	0.7
93.03336	1.4
96.95918	3.4
98.20593	1.6
99.59734	0.6
101.02344	1.0
106.24792	0.7
107.01273	2.0
107.03731	0.7
117.03354	2.1
121.97684	0.7
135.00708	0.7
135.04338	1.3
151.00287	4.1
159.04393	0.8
169.01353	1.0
171.04375	0.9
173.04512	0.7
183.04427	5.7
185.02461	0.8
191.05568	2.0
199.03882	0.8
211.03946	3.8
227.03513	5.9
255.02979	42.2
256.03430	3.7
283.02478	100.0
284.03226	44.5
285.03873	5.7
296.87875	0.7
309.03909	1.7
309.20749	0.7
391.11682	1.0
405.13480	1.2
559.23602	2.6
577.24451	9.7
578.25128	1.9
592.14313	24.8
593.14795	2.6
713.24872	1.4
885.35889	8.5
886.35681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	3.1
66.12679	0.9
71.01244	2.8
71.58257	1.0
71.58647	2.0
81.60587	1.0
83.47819	1.0
85.02834	1.3
89.02319	1.2
93.03353	7.1
96.95876	2.2
109.02853	1.7
112.19447	1.0
117.03339	1.5
117.16258	1.0
119.04900	1.0
123.04417	5.2
133.02834	3.4
135.04427	2.6
137.02336	1.7
145.02831	1.4
149.02289	1.4
159.04402	1.8
161.02315	1.2
174.03114	1.2
185.05962	1.5
187.07300	1.0
191.05542	3.2
201.01852	1.5
201.05258	1.1
201.11162	1.5
203.10716	1.2
211.04030	1.3
213.05440	2.4
213.11163	1.4
214.02708	1.8
215.03398	1.2
223.07600	1.2
227.03458	4.1
227.07053	1.2
227.10686	1.9
229.05122	1.7
240.04184	1.4
241.05022	2.4
253.05037	1.3
255.02948	4.6
255.06604	2.1
255.10313	1.2
262.06329	1.3
263.07022	1.1
269.08228	1.5
271.09921	1.6
277.05225	1.4
279.06677	4.4
281.08069	1.2
283.02579	4.3
284.03201	4.3
285.04059	7.7
303.06729	1.4
303.16235	1.4
307.06052	2.0
309.04016	2.3
311.05756	1.4
315.06635	1.9
323.05203	1.2
324.06253	6.8
325.20334	1.5
330.03903	1.8
335.05566	10.1
337.07077	1.1
347.12930	1.5
349.07211	1.3
361.07141	4.6
363.08569	1.2
375.08737	5.8
376.09244	1.4
381.20688	1.4
389.10150	6.3
390.84177	1.3
399.21671	1.5
403.11859	8.6
404.12631	10.0
405.13458	33.9
406.13623	3.8
425.19742	2.4
507.16779	2.9
559.23328	12.2
576.23871	2.5
577.24438	100.0
578.24860	13.0
619.25134	4.0
713.24493	8.1
714.24603	1.7
857.63690	1.3
867.33765	4.9
885.35553	51.1
886.35913	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	3.1
66.12679	0.9
71.01244	2.8
71.58257	1.0
71.58647	2.0
81.60587	1.0
83.47819	1.0
85.02834	1.3
89.02319	1.2
93.03353	7.1
96.95876	2.2
109.02853	1.7
112.19447	1.0
117.03339	1.5
117.16258	1.0
119.04900	1.0
123.04417	5.2
133.02834	3.4
135.04427	2.6
137.02336	1.7
145.02831	1.4
149.02289	1.4
159.04402	1.8
161.02315	1.2
174.03114	1.2
185.05962	1.5
187.07300	1.0
191.05542	3.2
201.01852	1.5
201.05258	1.1
201.11162	1.5
203.10716	1.2
211.04030	1.3
213.05440	2.4
213.11163	1.4
214.02708	1.8
215.03398	1.2
223.07600	1.2
227.03458	4.1
227.07053	1.2
227.10686	1.9
229.05122	1.7
240.04184	1.4
241.05022	2.4
253.05037	1.3
255.02948	4.6
255.06604	2.1
255.10313	1.2
262.06329	1.3
263.07022	1.1
269.08228	1.5
271.09921	1.6
277.05225	1.4
279.06677	4.4
281.08069	1.2
283.02579	4.3
284.03201	4.3
285.04059	7.7
303.06729	1.4
303.16235	1.4
307.06052	2.0
309.04016	2.3
311.05756	1.4
315.06635	1.9
323.05203	1.2
324.06253	6.8
325.20334	1.5
330.03903	1.8
335.05566	10.1
337.07077	1.1
347.12930	1.5
349.07211	1.3
361.07141	4.6
363.08569	1.2
375.08737	5.8
376.09244	1.4
381.20688	1.4
389.10150	6.3
390.84177	1.3
399.21671	1.5
403.11859	8.6
404.12631	10.0
405.13458	33.9
406.13623	3.8
425.19742	2.4
507.16779	2.9
559.23328	12.2
576.23871	2.5
577.24438	100.0
578.24860	13.0
619.25134	4.0
713.24493	8.1
714.24603	1.7
857.63690	1.3
867.33765	4.9
885.35553	51.1
886.35913	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08715	0.9
64.84995	1.0
71.01258	1.6
71.06372	1.9
85.02821	13.4
87.00748	3.9
93.03334	11.6
93.66193	1.0
100.78228	0.9
104.45279	1.2
109.02854	1.2
111.04398	2.5
123.04382	1.1
127.03893	3.4
132.02052	2.0
137.02397	1.6
155.03471	1.0
161.77641	1.0
171.02808	1.2
173.04474	4.2
191.05540	57.3
192.05896	1.3
195.04404	1.5
211.03964	2.9
213.05580	2.1
222.03072	1.8
223.03949	9.8
224.04651	1.8
225.05618	1.5
226.11720	1.1
227.03352	1.1
229.05109	1.3
235.04012	5.4
239.03468	4.3
241.05026	4.7
250.02682	1.7
251.03499	4.0
252.04044	1.4
255.02969	2.6
267.02939	6.2
269.04498	3.5
279.02994	5.4
280.03677	2.6
288.07971	1.9
297.04108	2.5
299.07086	3.5
300.07767	2.8
301.04922	1.2
301.08505	1.7
311.07178	1.9
315.06619	10.4
316.07303	5.5
317.08038	1.8
323.01917	1.3
324.02698	2.6
326.06018	1.5
327.06534	4.5
328.07339	5.1
329.07990	2.5
343.06085	17.3
344.06683	9.5
345.07596	6.8
355.06342	2.1
356.06885	1.8
371.05542	9.5
372.06262	9.8
373.07159	5.9
400.00555	1.4
400.05884	47.4
401.06607	58.9
402.07269	5.6
418.07074	4.9
419.07715	5.8
420.08023	1.1
444.05130	1.9
445.05560	3.1
546.89679	1.1
563.11945	1.5
605.13007	100.0
606.13409	14.4
623.14099	15.4
624.14587	2.7
637.11664	2.9
649.12177	4.2
841.02911	1.2
841.17822	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	3.9
71.01256	27.0
72.99192	2.9
73.02828	2.8
75.00788	1.7
78.95768	2.5
80.96397	2.0
81.03323	3.8
83.01246	3.3
83.04891	2.7
85.02824	7.8
87.00755	7.1
89.02322	20.0
95.01218	2.5
97.02837	11.3
99.00808	3.8
101.02317	20.9
109.06478	28.9
110.03659	2.1
113.02325	11.5
119.03416	5.2
121.06456	2.5
125.02339	6.3
135.08011	6.5
142.02652	3.6
143.03412	2.5
152.02394	1.8
152.99477	4.9
161.04451	3.5
161.09634	2.9
163.11198	18.4
179.05525	4.2
181.12233	4.8
207.10205	100.0
208.10521	3.7
209.11754	3.6
212.83275	1.7
217.42400	2.0
225.11276	36.9
226.11629	2.4
235.08116	5.7
253.09329	1.9
256.02304	2.1
277.21716	72.2
278.22049	5.3
379.12384	6.0
397.13464	53.4
397.18631	3.6
398.13892	4.8
415.14606	14.1
438.01004	1.9
605.24231	5.4
623.26007	4.2
883.46887	48.4
884.46918	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	3.7
64.28665	1.4
66.21750	1.6
71.01257	27.1
72.99165	2.1
73.02821	3.3
78.95779	2.7
81.03322	3.1
83.01248	3.3
83.04885	4.2
85.02831	5.2
87.00755	7.4
89.02303	21.3
95.01244	2.5
97.02816	9.5
98.19788	4.8
99.00742	3.7
101.02324	16.8
107.04903	1.8
109.05716	2.3
109.06477	40.8
110.03568	1.7
113.02344	10.7
119.03372	4.4
121.06490	1.7
123.04444	1.8
125.02323	6.7
135.08044	4.7
136.05162	2.5
142.02589	3.3
143.03343	2.4
148.91042	1.5
152.99477	3.8
161.04440	4.1
161.09546	2.5
163.11186	20.3
179.05484	5.5
181.12241	5.4
189.09158	2.5
207.10201	100.0
208.10591	3.9
209.11748	3.9
221.06558	2.9
225.11272	40.4
235.08163	4.3
243.12286	2.2
253.09338	1.6
277.21719	58.0
278.22043	3.0
287.07623	2.5
305.08655	1.9
379.12277	5.2
397.13553	39.0
399.24719	1.6
415.14618	13.3
505.60736	1.4
605.24457	9.2
623.25348	10.8
624.26343	1.8
883.46948	49.7
884.47095	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.8
70.61735	3.9
71.01257	17.0
71.04897	1.6
72.99196	1.6
73.02820	4.2
75.43085	1.5
81.03336	2.7
83.01264	2.3
85.02814	6.8
85.44817	1.6
87.00736	10.0
89.02309	11.4
95.01270	3.3
97.02831	12.5
97.06476	3.4
99.00762	20.2
101.02306	11.5
109.06455	3.9
113.02316	5.5
119.03386	2.4
125.02368	11.5
125.09592	6.6
135.07979	2.0
136.05203	2.0
142.02596	3.8
143.03481	1.6
156.00117	1.8
161.04472	2.8
163.11198	11.9
179.05437	2.5
181.12256	20.4
199.13411	2.8
207.10210	68.6
207.12187	3.6
208.10518	3.4
211.13487	1.6
225.11273	100.0
226.11589	2.5
235.08086	3.4
243.12344	38.2
244.12558	2.9
263.07837	1.9
277.21719	56.7
278.22003	2.3
313.19180	2.0
317.15994	4.1
397.13403	9.7
408.79224	1.7
415.14395	2.0
605.24451	23.4
623.25482	25.8
650.91071	1.7
678.67865	1.8
883.46979	71.1
884.47314	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03825	1.9
67.01756	0.8
69.99089	3.7
71.01250	5.6
71.22205	0.7
73.02800	0.8
73.51178	0.8
78.95789	0.8
79.87298	0.7
79.95626	0.6
83.01266	0.8
85.02818	2.2
87.00752	1.2
89.02304	2.8
91.01774	36.1
93.03320	1.9
95.01247	0.8
96.95885	1.9
101.02320	3.3
108.02058	1.8
108.49837	0.8
109.02847	17.6
111.08054	1.2
113.02338	3.7
119.03386	1.0
121.02832	1.4
123.04456	0.8
125.02364	1.5
133.02852	1.3
135.00781	88.0
135.04396	2.7
136.01285	2.3
137.02327	4.3
149.02319	1.4
150.03036	1.2
151.03946	1.2
152.01082	1.6
153.01846	66.5
154.02190	2.0
161.02316	2.2
161.04512	1.4
163.03938	0.9
165.12750	18.1
166.13219	1.0
173.04503	1.2
173.05865	0.8
177.01878	1.8
179.03409	1.1
179.05464	1.0
183.13832	50.5
184.14153	2.7
191.05547	5.8
197.15468	0.9
207.13824	1.2
209.11787	3.2
225.14893	1.4
227.12842	100.0
228.13220	5.8
241.43839	0.7
251.12869	2.4
269.13971	1.0
269.52280	0.9
279.05115	1.7
329.16095	1.1
339.07202	96.2
340.07620	5.3
389.18179	22.1
390.18567	1.4
716.09705	0.9
862.13489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72546	1.9
68.59202	1.9
69.72695	1.9
71.01260	24.0
71.04900	4.0
71.57629	2.2
71.57985	2.5
72.03534	2.6
73.02824	6.3
85.02816	3.5
86.27718	2.0
87.00740	2.8
89.02331	11.2
97.02824	3.7
99.00774	16.6
101.02325	8.5
108.04342	2.0
113.02321	6.0
119.03406	4.3
121.02848	3.2
123.10859	2.1
125.02351	4.1
125.09594	5.2
161.04538	2.0
163.11179	11.5
171.10219	10.6
181.12277	11.3
199.13329	7.2
201.11279	5.3
207.10201	20.2
209.04547	3.2
225.11244	30.4
243.12349	12.9
255.23262	47.3
379.12573	2.9
397.13626	12.1
415.14529	3.7
458.25427	2.5
879.49731	100.0
880.50403	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07153	0.8
67.50410	0.8
71.01244	1.1
76.66752	0.8
83.46243	0.8
91.41159	0.8
95.04579	0.8
95.34312	0.9
107.01265	1.6
108.02110	1.3
109.02885	1.2
117.99425	0.8
121.02891	1.6
128.34239	0.9
132.21858	0.8
135.00836	1.0
143.93272	0.8
151.00273	7.6
163.00250	1.0
178.99802	3.9
191.05569	1.0
204.48505	0.8
229.78275	1.3
243.03014	6.6
254.02135	1.7
255.02997	15.4
271.02509	33.4
272.03052	4.0
273.03745	1.5
283.02670	0.9
300.02762	76.5
301.03455	34.9
302.03848	2.7
309.97278	0.9
463.08850	100.0
464.09134	11.0
465.09225	1.9
496.25192	0.9
618.22723	0.9
658.26215	0.9
722.89606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67297	0.9
69.03335	4.6
69.59835	7.5
71.01255	12.9
71.04885	1.1
72.99209	1.2
77.09201	1.0
83.04880	1.0
85.02824	3.4
87.00740	1.8
89.02328	7.6
97.02818	1.3
99.13865	1.1
101.02324	7.7
113.02316	4.5
119.03402	1.7
125.02336	1.0
125.09616	2.2
134.07097	1.1
143.03322	1.3
151.11183	2.4
153.86926	1.0
161.09712	2.1
179.10789	4.8
197.11755	31.4
198.12129	2.3
204.49576	1.0
209.11835	1.5
235.08022	1.0
241.10815	1.7
255.23274	39.4
255.25934	2.3
256.23578	3.6
261.86758	0.9
334.20013	1.1
337.39365	1.2
397.13391	3.8
639.25201	1.5
877.48047	100.0
878.48273	17.6
900.33527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34595	3.2
65.19428	3.6
71.01257	100.0
72.99166	5.4
73.02827	38.0
83.01270	15.3
85.02818	43.0
87.00777	8.8
88.77206	4.0
88.86284	3.4
89.02320	24.7
89.73208	3.3
93.03334	13.3
95.01275	7.2
96.95885	10.4
97.02833	4.9
99.00761	6.8
101.02327	71.2
108.02071	5.8
109.02796	7.2
111.00830	4.2
113.02355	34.2
114.28218	3.3
119.03397	12.3
121.02851	4.9
123.04447	5.2
125.02312	4.7
134.08757	3.6
135.04463	9.9
137.02354	8.9
143.03397	5.0
143.10411	3.8
149.04463	6.1
151.03960	4.3
152.01019	4.1
153.01808	4.2
159.02936	5.1
161.04471	32.2
163.03914	4.6
165.05573	4.6
173.04517	6.8
176.95290	4.6
177.01825	11.8
191.05554	38.0
192.05966	3.9
203.05566	3.9
205.12358	4.0
209.15427	8.3
221.06645	6.7
243.02931	3.7
255.02956	3.9
271.02304	3.7
313.16397	8.6
331.17606	27.2
353.19608	34.1
371.20670	37.9
373.18646	37.0
374.19037	4.9
413.21780	85.3
414.22171	10.7
415.22473	4.0
422.50275	5.1
522.19440	5.2
675.75824	3.8
748.28040	3.5
770.01837	4.0
775.29126	4.1
818.07233	3.9
831.26886	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34595	3.2
65.19428	3.6
71.01257	100.0
72.99166	5.4
73.02827	38.0
83.01270	15.3
85.02818	43.0
87.00777	8.8
88.77206	4.0
88.86284	3.4
89.02320	24.7
89.73208	3.3
93.03334	13.3
95.01275	7.2
96.95885	10.4
97.02833	4.9
99.00761	6.8
101.02327	71.2
108.02071	5.8
109.02796	7.2
111.00830	4.2
113.02355	34.2
114.28218	3.3
119.03397	12.3
121.02851	4.9
123.04447	5.2
125.02312	4.7
134.08757	3.6
135.04463	9.9
137.02354	8.9
143.03397	5.0
143.10411	3.8
149.04463	6.1
151.03960	4.3
152.01019	4.1
153.01808	4.2
159.02936	5.1
161.04471	32.2
163.03914	4.6
165.05573	4.6
173.04517	6.8
176.95290	4.6
177.01825	11.8
191.05554	38.0
192.05966	3.9
203.05566	3.9
205.12358	4.0
209.15427	8.3
221.06645	6.7
243.02931	3.7
255.02956	3.9
271.02304	3.7
313.16397	8.6
331.17606	27.2
353.19608	34.1
371.20670	37.9
373.18646	37.0
374.19037	4.9
413.21780	85.3
414.22171	10.7
415.22473	4.0
422.50275	5.1
522.19440	5.2
675.75824	3.8
748.28040	3.5
770.01837	4.0
775.29126	4.1
818.07233	3.9
831.26886	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	1.8
75.89412	0.3
87.81287	0.4
89.02298	0.9
93.03392	0.5
98.19666	0.6
101.02329	1.0
110.00272	0.4
119.04914	86.4
120.05261	3.1
127.47010	0.4
135.04501	0.5
161.04463	0.6
163.03915	100.0
164.04256	3.9
173.46284	0.4
179.05536	0.6
191.05475	0.6
325.09271	15.6
326.09717	1.0
350.07175	0.5
453.69290	0.4
549.25507	5.4
550.25909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	16.9
71.58399	1.9
71.63864	1.1
73.02824	6.5
79.74698	1.1
83.01258	2.5
85.02824	9.5
87.00761	1.8
89.02312	5.9
93.03349	2.8
95.01273	1.9
99.00762	1.4
101.02323	13.7
105.54636	0.9
108.02068	6.3
109.02834	7.0
110.02534	1.0
111.00716	0.9
113.02338	7.9
119.03387	2.2
122.03662	1.2
123.08037	3.0
135.04405	2.4
138.05499	1.6
146.03650	1.1
149.04449	1.4
152.01065	5.3
152.08308	1.6
153.01825	4.1
153.09123	4.9
161.04463	3.2
161.09691	1.3
177.12755	3.8
185.82645	1.0
191.05536	14.2
195.13771	1.8
205.12280	1.8
218.31883	1.0
221.11816	3.8
223.13341	1.6
247.64285	1.1
251.03455	2.2
263.03461	1.7
279.02817	1.5
280.03647	1.0
281.04483	2.4
295.05844	1.2
307.02554	1.4
308.03204	1.4
309.04016	2.9
315.07132	2.5
323.05548	1.9
339.08716	2.9
350.04272	1.4
352.63602	1.2
367.17691	7.9
383.07690	2.3
401.18173	100.0
402.18576	6.7
407.43738	1.2
425.92917	1.2
427.19553	4.3
557.13190	1.3
637.15442	4.5
638.16235	1.4
655.16290	1.5
681.14886	8.8
682.15167	2.5
873.21094	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03794	2.0
69.03322	2.3
71.01255	5.3
71.04897	4.6
71.58457	0.9
71.58820	1.1
73.02816	1.4
78.95778	0.9
80.02538	1.4
81.03322	1.4
83.01258	1.1
83.04899	6.9
84.02032	6.8
85.02825	4.1
89.02333	3.1
93.03358	2.1
95.04916	3.6
96.95887	7.0
97.02798	1.2
97.06474	4.3
99.00780	1.0
101.02328	4.7
102.31166	0.9
106.04128	2.7
107.04910	1.2
109.02860	1.6
109.06464	2.7
110.03600	1.6
111.04399	2.5
111.08015	1.1
113.02310	1.3
115.28871	0.8
119.03404	0.9
119.04926	1.1
121.02853	1.5
121.06479	2.5
123.04427	1.2
123.08068	6.3
124.05063	0.9
125.09613	3.8
135.04422	3.0
135.08057	9.1
137.02336	1.5
153.09097	14.1
155.10640	1.0
161.04549	1.1
171.10182	47.3
172.10512	2.3
173.04465	2.7
177.12764	2.9
183.10300	1.2
185.11760	2.9
191.05545	5.9
193.12231	1.5
195.10274	1.1
195.13803	3.6
196.74852	0.9
197.11722	2.4
201.11192	2.9
209.11745	4.4
211.07541	2.7
211.13344	3.9
213.11290	1.0
219.13853	2.4
223.13235	2.4
227.12625	1.0
235.13376	1.8
237.14874	4.7
249.14908	1.0
253.09262	5.8
255.06630	15.2
263.20193	1.0
265.14212	1.1
286.89764	1.0
289.18069	5.4
291.19656	5.2
307.09720	3.0
307.19107	7.4
309.20670	11.9
310.09091	0.9
325.11188	5.6
325.20190	100.0
326.20538	6.5
474.30017	1.1
545.29736	1.1
632.69189	1.5
767.45203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21657	0.5
69.03318	1.0
70.12513	2.4
71.01264	1.0
80.02551	0.7
83.04919	1.3
85.02837	0.7
87.00758	0.9
87.04376	0.8
88.68354	0.5
90.03237	0.5
90.37460	0.5
96.95844	0.8
96.99987	0.5
97.06462	1.9
111.08046	9.2
123.08071	1.8
125.09606	15.3
127.11204	5.9
135.04489	0.6
135.08043	1.4
137.09604	5.2
139.11189	1.3
141.09129	1.6
151.11235	2.6
153.09114	2.7
155.10680	2.3
159.03535	0.6
164.08311	1.6
165.09087	1.8
167.10713	0.6
168.98405	0.6
169.12251	0.8
171.10178	9.1
177.09087	0.6
183.10262	1.2
191.05585	1.2
195.10225	2.9
199.09755	1.8
199.13374	0.6
201.11261	40.4
202.11494	1.7
209.11856	0.6
213.11272	31.0
213.84537	0.5
214.11597	2.4
223.01884	0.5
227.12807	1.1
238.12021	0.6
245.19090	1.4
263.20099	0.6
289.18127	10.6
290.18350	1.1
307.19147	25.6
308.19455	2.1
309.20493	0.7
325.20187	100.0
326.20511	7.5
332.07321	0.6
359.00122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03836	4.3
69.69096	8.6
69.69511	3.9
71.01250	3.4
91.05399	14.0
93.03326	6.3
96.95893	12.2
98.19823	3.5
109.02832	24.0
111.30660	1.7
121.02853	13.3
125.09557	5.0
127.11150	2.2
135.04417	100.0
136.04732	4.1
137.09665	2.5
141.91026	1.9
147.04427	7.4
148.05190	2.7
160.05159	3.1
163.07445	2.7
163.34961	1.9
171.10147	7.3
173.04465	2.3
173.05931	2.4
175.07535	4.5
191.05530	4.7
193.08582	13.7
195.10075	2.4
201.11227	9.7
213.11253	5.3
289.18295	2.9
297.11465	4.2
307.19171	6.7
315.12393	27.2
325.20218	4.7
417.15778	1.9
487.26877	2.7
501.28397	3.7
519.18591	4.0
529.51849	1.9
623.32202	56.0
624.32727	10.1
749.68707	2.1
827.38623	22.0
828.39124	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57434	2.2
61.98681	3.9
62.50196	2.0
67.01756	5.2
69.03320	4.5
69.41730	21.0
71.01253	100.0
72.99193	6.3
73.02820	82.3
73.03239	3.3
75.00771	3.0
83.01258	26.7
83.04894	2.2
85.02822	22.6
87.00758	9.0
89.02320	57.9
93.03345	9.6
95.01258	6.3
96.95901	5.4
97.02857	2.8
99.00740	17.3
101.02324	93.1
105.03394	2.5
108.02077	2.3
109.02869	5.8
113.02325	35.7
115.00273	2.4
119.03428	13.2
121.02844	3.9
122.03633	15.7
125.02325	7.7
126.05495	2.9
131.03398	14.3
133.02884	3.5
135.04414	16.0
136.04718	2.6
137.02303	5.3
143.03406	17.1
149.04465	52.0
150.04828	2.7
151.03915	4.0
152.01088	2.6
153.01895	3.4
155.03409	2.9
156.06602	4.0
160.03798	2.3
161.02365	4.2
161.04494	33.7
161.05812	3.9
165.05421	3.3
173.04449	11.9
175.02409	3.2
177.01810	3.4
179.03400	7.6
179.05382	2.6
191.05553	45.5
191.07150	4.6
203.05548	4.4
221.06563	9.7
231.83762	2.3
241.87491	2.6
249.05574	2.4
283.11728	7.9
295.77142	2.4
297.12314	3.1
311.09616	4.1
325.12909	4.3
366.14700	4.0
382.14282	2.6
409.59415	2.4
568.95728	2.9
663.35687	5.1
681.36652	8.7
709.27356	7.2
741.38544	3.2
760.34705	2.6
871.32025	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98682	0.3
65.59164	0.3
69.03316	1.4
69.70260	2.2
71.01249	0.8
75.54984	0.3
78.95766	0.3
83.04901	0.8
84.02044	3.3
85.02810	0.4
86.50842	0.3
93.03370	0.5
96.95889	3.9
97.02813	0.8
97.05867	0.6
97.06463	7.1
99.04394	1.1
99.46339	0.3
101.02312	0.6
102.33046	0.4
109.02808	0.3
109.06426	0.4
113.02424	0.3
125.09618	1.2
135.04436	0.7
135.08075	0.6
137.09645	0.9
148.49542	0.4
149.13264	0.3
151.00259	0.3
153.09019	0.3
161.02289	0.5
163.11145	0.4
165.12753	0.7
171.10181	12.4
173.04456	0.4
175.11154	0.7
177.74802	0.3
184.11525	0.3
185.11768	0.7
187.35483	0.3
191.05605	1.4
193.12276	9.2
194.12570	0.5
197.15355	0.5
203.10759	0.3
211.13350	2.1
221.11763	0.7
225.14912	16.6
226.15294	0.8
243.15994	5.9
244.16299	0.5
253.09250	0.4
253.14444	0.7
255.02983	0.4
271.02356	0.5
272.16406	0.3
291.19714	3.2
300.02695	1.3
301.03433	0.9
341.23306	100.0
342.23657	8.9
403.49799	0.3
463.08878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	1.4
71.50067	2.7
78.95792	1.7
80.68218	1.6
95.04903	2.4
96.95879	15.9
97.02813	2.2
109.02850	1.6
111.08082	2.4
121.02789	1.5
123.04404	5.5
123.08039	7.2
125.09560	1.7
135.04478	2.2
139.11168	3.5
149.09593	1.8
151.07567	2.1
151.11151	3.2
152.08324	15.6
155.14301	1.5
167.10678	5.9
168.19011	1.4
171.10184	90.2
172.10532	4.0
175.07588	1.5
191.05551	3.3
197.06508	1.4
199.13306	13.3
211.13411	2.1
245.19057	9.6
253.09177	3.4
289.18115	45.2
290.18341	4.2
291.19592	4.5
293.21259	9.4
300.97745	1.6
307.19162	25.6
308.19681	3.1
321.20700	30.0
322.20853	2.2
324.19385	3.9
339.21747	100.0
340.22104	9.9
383.67471	1.7
565.71649	2.0
672.87177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.8
62.56007	0.5
62.98746	0.5
69.03343	1.0
69.23663	8.1
71.01254	12.2
72.99171	1.3
73.02821	6.7
81.03350	0.7
83.01260	2.5
83.04890	0.6
85.02826	4.8
87.00757	2.7
89.02311	4.1
93.03323	3.5
95.01269	1.2
96.95895	2.6
98.19799	1.0
99.00767	1.2
101.02318	7.0
108.02058	1.5
109.02832	2.7
111.04356	0.8
113.02336	4.5
119.03391	1.9
121.02863	1.0
123.04407	0.8
123.08012	0.9
125.02308	1.7
125.09591	0.9
135.04416	4.0
137.02332	1.9
150.03145	1.4
151.00323	0.8
151.03935	1.1
152.01033	1.7
153.01833	2.0
161.02354	1.5
161.04443	1.2
165.01884	0.6
165.05417	1.1
166.05092	1.0
171.10175	3.6
173.04456	2.5
173.78554	0.7
177.01787	1.1
179.03415	1.9
180.04231	0.8
185.11751	1.0
191.05557	10.1
195.06555	1.1
199.13345	2.8
209.11711	0.9
244.40625	0.6
261.22092	0.8
285.20709	7.4
337.23813	0.9
355.24866	2.6
373.25977	11.5
374.26477	0.8
415.26950	1.0
433.20871	1.5
489.56503	0.7
498.70462	0.7
517.30206	6.5
535.31244	18.7
536.31635	1.5
559.31036	5.2
577.32288	100.0
578.32599	10.5
619.32819	1.2
638.65894	0.6
852.15967	0.7
852.36359	0.7
869.36975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03833	0.7
70.45385	1.9
71.01257	1.7
78.95776	1.3
84.02042	12.5
85.02824	1.0
89.02334	1.1
96.95891	10.0
97.02833	4.2
97.06470	0.8
99.04385	3.1
101.02369	0.7
108.94803	0.6
119.08528	1.4
125.09589	0.9
127.11161	1.1
135.04376	1.5
135.08035	1.2
137.09653	0.9
141.09068	1.1
165.12663	0.6
171.10184	44.1
172.10487	1.4
175.03955	0.7
185.11778	0.7
190.21292	0.6
191.05530	1.7
193.12358	0.7
198.04124	0.6
201.11229	1.2
225.14940	0.9
247.20251	0.6
253.09351	1.0
253.14610	0.8
291.19650	3.5
307.19351	1.0
325.20062	0.7
341.23309	100.0
342.23688	6.1
411.09198	0.5
442.97879	0.7
452.78522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	0.7
63.93829	0.6
69.03344	1.2
71.01250	12.1
71.58202	1.0
72.16377	0.7
72.99165	0.8
73.02823	7.3
74.33538	0.6
81.03370	0.6
83.01250	2.4
85.02814	4.3
87.00752	2.8
89.02324	3.8
93.03338	2.5
95.01273	1.1
96.95901	2.1
97.06390	0.8
99.00771	0.8
101.02318	7.0
108.02018	1.4
109.02831	2.4
113.02352	4.4
119.03374	1.0
121.02848	1.2
125.02309	1.9
125.86128	0.7
133.02750	0.9
135.04401	2.9
137.02307	2.0
140.07083	0.6
149.02351	0.8
150.03110	0.8
152.01035	1.9
153.01846	2.0
161.02348	1.0
161.04469	0.9
165.01781	0.9
166.04991	1.4
171.10179	3.1
172.54541	0.7
173.04446	1.9
177.01837	2.0
177.05484	0.9
179.03462	1.3
191.05548	9.0
195.06512	1.3
199.13278	2.4
285.20749	4.5
286.20728	1.0
327.21576	0.8
355.24930	3.9
373.25867	10.8
374.26175	0.9
391.19730	1.2
406.80237	0.7
433.20697	1.7
499.28964	1.0
517.30017	6.8
535.31201	15.4
559.31317	6.0
577.32251	100.0
578.32690	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	10.9
71.36469	1.5
73.02818	7.9
83.01252	2.8
85.02811	2.2
87.00758	2.3
89.02316	5.0
93.03333	3.7
95.87615	1.3
96.95921	1.5
98.19736	2.0
101.02329	5.8
108.02033	3.9
109.02822	5.5
113.02314	4.9
114.23893	1.3
115.07520	2.7
119.03376	1.5
122.06003	1.7
123.04440	2.1
125.02309	1.9
135.04413	3.0
137.02379	1.5
149.04410	2.0
151.00244	3.3
151.03792	1.4
151.43355	1.2
151.84293	1.2
152.01080	1.8
153.01816	3.0
157.12512	1.3
161.04477	2.2
173.04436	2.6
179.03278	1.9
191.05530	9.4
227.03465	37.2
228.03920	1.5
229.05080	1.6
250.10986	1.4
255.02972	46.9
256.03586	5.5
267.11453	1.6
284.03256	47.2
285.04019	23.7
286.04382	1.6
331.17523	1.5
345.62106	1.2
373.18530	3.3
393.88953	1.6
406.93436	1.4
417.31241	1.5
447.09299	100.0
448.09723	9.4
532.26770	1.3
605.08551	1.4
865.28668	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30264	0.8
69.03314	0.8
70.01477	4.8
70.92101	0.8
71.01250	19.6
72.99181	1.6
73.02811	3.0
78.95723	1.0
80.02599	0.9
81.03339	1.6
83.01256	1.9
83.04894	6.2
84.02015	1.2
85.02835	4.5
87.00749	4.1
89.02320	13.6
91.76007	0.9
95.01273	1.4
97.02831	1.5
99.00772	1.7
101.02318	13.9
113.02315	8.3
116.92776	1.3
117.17902	0.9
119.03387	4.0
125.02345	7.6
135.08020	1.1
142.58461	0.9
143.03377	3.3
143.50653	0.9
149.01215	1.1
161.04439	3.1
163.11201	4.0
165.12685	2.0
175.72523	0.8
179.05489	4.3
209.11769	100.0
210.12138	5.6
217.07079	1.4
221.06567	1.6
227.12837	11.6
235.08200	8.7
253.09332	1.1
255.23256	54.7
256.23624	4.1
262.73694	0.9
287.07623	1.9
305.08762	1.8
370.18195	0.9
379.12491	6.1
397.13470	43.0
398.13702	2.6
415.14523	7.5
615.12195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00824	0.8
69.03323	0.8
71.01260	18.4
71.50227	2.1
72.99186	2.3
73.02817	3.1
83.01266	2.4
85.02829	4.2
87.00740	3.8
89.01815	1.6
89.02322	15.1
90.26891	1.1
95.01239	1.1
97.02839	3.1
99.00775	1.0
101.02336	13.5
111.08051	0.9
113.02344	7.9
119.03394	4.0
125.02321	4.0
134.13503	0.9
143.03406	2.1
143.36830	0.9
157.90016	0.8
161.04485	2.6
165.12743	5.9
168.01935	1.0
179.05515	1.9
183.13840	45.5
184.14131	2.2
221.06674	2.8
227.12790	4.5
235.08237	2.8
255.23289	67.2
256.23560	4.0
306.89005	0.9
379.12411	2.1
397.13495	13.9
398.13702	1.2
415.14432	2.4
526.65021	1.0
607.25500	1.9
625.26617	1.1
863.50104	100.0
864.50500	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49374	0.3
68.44147	0.4
69.03326	1.0
71.01256	17.8
71.07047	0.9
72.99184	1.4
73.02825	2.7
80.02543	1.4
81.03329	1.5
83.01257	2.0
83.04901	5.4
84.02037	0.9
85.02822	3.9
87.00748	4.0
89.02316	14.6
95.01289	1.2
97.02827	2.8
99.00767	1.0
101.02325	12.3
109.02851	0.5
111.04402	0.4
113.02335	7.2
119.03391	4.5
125.02334	6.7
125.05985	0.8
131.03358	0.9
132.14348	0.4
133.05045	0.4
135.08035	0.5
137.02261	0.3
138.06664	0.4
139.03902	0.6
141.01610	1.9
141.85774	0.3
143.03415	2.5
149.04526	0.5
152.99562	0.4
154.77576	0.4
161.04475	2.8
163.11200	4.0
165.12741	2.7
167.03264	0.6
179.05504	3.5
180.30107	0.4
181.12372	0.6
181.77473	0.4
191.10748	0.9
209.11771	100.0
210.12109	5.0
217.07027	0.8
221.06613	1.3
227.12828	13.0
228.13211	0.8
235.08188	5.1
245.06525	0.5
251.12907	0.5
253.09283	1.0
255.23274	55.1
256.23633	3.0
263.07709	0.4
269.25003	0.5
277.09210	0.4
287.07773	1.9
305.08734	1.3
323.09879	1.0
361.11255	0.6
379.12497	6.5
397.13498	36.7
398.13971	2.6
415.14536	7.1
436.06107	0.4
455.94266	0.5
589.25293	0.7
607.26678	0.6
653.37006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15199	14.5
78.95319	5.0
78.95779	100.0
86.73157	4.0
96.96837	18.8
121.75745	3.2
130.08540	3.9
147.61609	3.5
152.99512	16.9
195.13742	4.4
197.11790	9.8
209.71935	3.6
215.12059	3.6
233.45792	4.4
241.01163	22.5
255.23213	33.1
265.98566	3.9
309.20416	4.4
328.19687	4.1
620.35834	4.1
863.49243	69.5
864.49677	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67336	1.7
65.03820	2.2
65.49500	1.9
67.01760	2.3
71.01254	38.2
72.99183	2.4
73.02822	8.2
78.95840	2.0
79.09094	1.9
81.03323	2.9
83.01273	3.7
85.02821	15.3
87.00730	3.0
89.02323	18.1
93.03364	5.6
95.01266	4.7
96.95876	10.3
97.02847	3.4
99.00777	3.2
99.04394	4.6
101.02299	19.0
107.04883	5.2
108.02043	5.1
109.02852	5.8
113.02340	13.2
119.03403	4.9
121.02790	3.2
122.03628	37.4
123.04431	4.1
125.02383	4.2
132.79428	2.0
133.02797	2.2
134.03551	2.9
135.04402	19.2
136.05151	4.0
137.02325	3.3
148.05190	4.1
149.05981	12.9
150.06783	7.1
151.00281	2.5
151.07545	62.4
153.01845	6.4
161.02367	2.5
161.04436	2.9
161.13280	4.3
165.05510	3.6
173.04462	5.1
179.05476	4.2
191.05531	15.9
205.12247	9.0
207.13878	4.2
209.11714	3.0
221.15671	2.2
249.11292	11.2
251.12810	3.6
252.13834	2.0
253.79727	2.1
281.20407	2.2
387.20120	2.4
429.17886	11.8
431.19321	7.0
433.33249	10.4
449.20023	2.9
451.34305	18.9
452.34610	3.5
566.50000	2.3
595.38470	27.1
596.39203	4.8
605.00134	2.2
612.39307	2.0
613.39532	60.3
614.39911	7.9
655.40594	100.0
656.40906	14.6
681.31244	6.0
757.43854	9.2
758.44202	3.8
774.73712	2.4
775.45166	5.9
817.46179	9.8
861.37457	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33673	3.0
70.34071	2.8
71.01256	15.7
72.99189	3.2
73.02815	3.9
83.01279	1.8
85.02817	8.7
87.00766	1.3
87.95713	1.1
89.02315	3.2
93.03323	3.3
96.95900	5.2
97.02812	1.9
98.20458	1.7
101.02303	6.4
107.04932	2.4
108.02038	3.8
109.02831	4.5
111.51596	1.2
113.02346	4.2
119.32918	1.2
121.02821	2.7
121.06447	2.0
122.03632	38.6
123.04398	5.3
125.02374	1.9
133.06438	2.3
134.03625	5.4
135.04402	15.6
136.05212	11.4
137.02354	1.9
137.05984	2.0
148.05159	3.1
149.05974	13.2
150.06761	6.1
151.07552	85.3
152.07864	2.6
153.01834	2.5
157.18182	1.3
161.02318	1.6
165.05513	2.4
173.04512	1.7
191.05576	8.1
193.08711	1.9
205.12251	6.1
211.13113	1.5
255.02811	1.8
256.03558	1.4
271.02536	3.7
272.02686	1.4
300.02731	6.1
301.03241	3.9
302.03345	3.2
372.41547	1.3
433.33163	3.3
451.34235	16.6
452.34570	2.9
463.08749	2.9
464.09161	4.5
465.09055	2.9
468.36935	1.6
533.09326	1.5
546.44287	1.6
595.38617	28.5
596.38629	3.2
606.67395	1.6
612.38751	3.3
613.39551	55.0
614.39795	8.8
655.40637	100.0
656.41077	18.1
757.43561	10.6
758.44006	1.7
775.44922	3.8
817.45551	5.0
861.36932	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52837	5.7
67.01773	4.9
69.49254	31.2
69.49668	9.5
70.46728	4.0
70.99025	4.7
71.01255	100.0
71.01623	9.4
72.99170	10.9
73.02826	7.0
77.78244	4.6
78.95782	6.9
83.01256	9.1
85.02818	34.6
87.00767	7.5
89.02319	79.5
90.28056	5.0
91.05461	4.5
93.03352	19.1
95.01271	11.0
95.07360	5.3
96.95899	18.3
99.04383	17.4
101.02329	56.1
108.02055	24.3
109.02839	16.8
113.02346	42.1
119.03403	34.6
121.02876	8.3
123.04395	10.1
125.02347	9.5
134.03592	5.4
135.04430	39.2
136.04800	5.6
137.02328	15.9
139.03857	7.0
143.03430	5.7
151.00244	10.6
151.03828	5.1
152.01028	25.5
153.01836	18.3
161.02370	8.7
161.04497	9.5
161.13217	25.3
173.04512	14.5
175.03862	6.2
177.01874	20.0
179.03328	6.7
179.05583	27.0
179.06923	5.9
187.11296	6.2
191.05559	42.1
205.12294	49.8
207.13837	31.4
209.11739	19.3
225.15024	5.8
242.05850	4.4
249.11302	48.6
251.12843	16.4
264.03848	4.8
269.13934	37.1
270.14603	6.6
287.05536	7.2
315.07370	19.7
383.06265	6.7
385.18646	14.2
387.20364	19.0
429.17715	72.7
430.17838	9.7
431.19046	32.9
449.20309	42.3
681.31354	33.6
682.31500	7.5
699.31793	9.0
861.38147	71.9
862.37762	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03754	0.9
69.03318	1.4
71.01256	22.4
72.99191	3.3
73.02824	7.6
83.01262	5.1
85.02828	10.4
87.00756	5.2
89.02322	9.2
93.03368	1.8
95.01263	3.2
96.95883	6.1
99.00779	1.6
101.02313	11.4
103.40777	0.9
107.04933	1.7
108.02036	2.2
109.02851	3.0
113.02341	9.6
119.03397	4.3
121.02833	1.9
121.06437	1.2
122.03628	30.7
123.04466	2.0
124.01595	1.3
125.02321	2.0
133.06532	1.1
134.03622	3.0
135.04417	14.0
136.05215	3.1
137.02281	1.4
141.01620	1.9
143.03461	1.8
148.05209	2.4
149.06000	10.2
150.03122	1.2
150.06747	6.7
151.07556	56.8
152.01060	2.0
152.07915	2.6
153.01781	1.5
161.04610	1.0
165.05524	1.5
169.18254	0.9
173.04460	1.5
173.05806	0.9
176.04666	1.0
181.04919	1.2
181.09412	0.9
191.05533	7.3
227.07176	1.5
415.32251	1.3
433.33273	18.4
434.33585	1.7
451.34259	15.3
452.34628	1.6
461.30783	1.1
595.38470	25.8
596.39001	4.5
604.58081	1.0
612.38867	3.9
613.39532	49.9
614.40137	7.5
654.39844	2.8
655.40625	100.0
656.41083	16.2
707.19220	1.5
757.43646	10.6
758.44135	2.0
775.44537	5.2
776.45105	1.4
817.46313	10.7
818.46381	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31809	1.3
69.03327	3.4
71.01254	10.3
71.57784	2.4
72.99185	1.5
73.02815	2.5
80.70783	1.2
81.65272	1.1
83.01260	2.5
85.02834	6.1
85.99941	1.9
87.00771	2.1
93.03374	1.5
95.01235	1.9
96.95890	3.9
101.02330	3.5
110.09196	1.4
111.10421	1.5
113.02337	3.6
121.06502	2.5
124.01521	1.2
125.02377	1.7
135.04416	5.6
136.04137	2.6
136.05196	49.6
137.05539	2.4
137.09608	1.4
143.03401	1.4
147.08058	1.5
148.05226	7.8
149.05984	15.9
150.06772	23.1
162.06827	1.9
163.07567	11.8
164.08296	4.3
165.09126	80.3
166.09489	2.8
171.10146	1.9
172.04776	1.2
179.26782	1.1
186.19803	1.3
191.05522	3.0
228.09010	1.2
431.35297	2.3
434.34052	4.4
449.36264	18.5
450.36868	2.4
593.40582	28.2
594.40875	4.0
610.41010	7.0
611.41565	65.8
612.41742	11.0
652.41791	2.3
653.42676	100.0
654.43079	16.2
755.45837	10.0
756.46521	3.1
758.79724	1.4
773.47284	5.9
815.49243	6.9
859.52460	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	40.2
71.15263	1.8
71.58358	2.0
72.99178	3.3
73.02828	8.7
76.52499	1.3
78.95776	1.6
81.03322	2.2
83.01260	7.7
83.04877	2.3
85.02817	18.0
87.00744	5.9
89.02318	27.9
89.90645	1.4
93.00301	1.5
93.03330	12.5
95.01257	3.1
96.95879	6.0
99.04400	19.7
101.01704	1.6
101.02329	20.2
108.02040	3.9
109.02832	6.8
111.04369	2.2
113.02354	10.9
116.92759	7.4
119.03405	11.5
119.04877	2.8
119.08537	1.7
121.02848	2.7
121.06409	1.9
125.02328	3.4
127.03892	2.7
133.02829	4.2
135.04407	19.5
137.02295	4.9
143.03458	3.3
145.06483	2.6
151.03838	1.5
152.01036	2.8
153.01836	4.6
155.03436	2.2
158.96677	1.5
159.11670	2.5
161.02330	9.1
163.03883	2.8
163.11203	1.6
165.12761	6.4
171.08089	8.6
173.04486	5.0
176.00990	3.0
177.00479	2.0
177.01869	25.2
179.03435	14.1
179.04831	1.7
179.05479	1.4
185.09731	2.5
186.10431	19.4
189.12758	5.4
191.03738	3.4
191.05547	100.0
192.05777	2.3
199.11116	3.1
201.12794	31.3
207.06587	1.9
207.13850	17.9
209.09895	2.8
209.11781	48.2
225.14899	8.4
233.11606	1.9
241.05144	1.7
245.11781	7.8
251.12869	10.0
269.13937	59.9
270.14279	3.0
275.12750	3.2
285.04025	1.5
297.61368	1.4
300.02808	1.5
311.14938	4.7
334.19052	1.5
353.08655	8.8
371.17197	3.3
431.19296	8.6
449.20294	64.3
450.20493	4.5
491.21173	3.2
533.24994	1.7
551.23096	6.1
611.25275	13.6
665.35541	3.5
677.31940	9.1
792.74121	1.8
839.37146	1.8
857.38312	86.4
858.38788	14.5
882.95233	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02265	9.2
65.00194	15.0
69.45132	2.3
69.45530	10.6
71.01246	3.5
83.01244	9.5
85.02837	1.8
95.01271	3.0
96.95879	2.4
102.26346	1.5
107.01265	22.3
109.02834	1.5
124.01553	5.3
125.02332	16.3
135.04358	1.8
151.00273	85.8
152.01082	8.7
153.01860	3.8
159.04419	4.7
160.05139	2.0
161.02377	2.1
165.01848	1.7
169.01343	17.2
172.05064	1.5
173.04509	2.2
174.03163	1.7
178.99777	100.0
180.00087	1.9
187.03909	4.1
188.04794	1.8
191.05522	4.0
197.06071	1.9
198.03181	2.1
199.03960	2.0
209.06068	2.0
211.03970	2.1
212.04688	2.3
213.01990	7.3
213.09200	1.6
215.03435	2.5
224.04631	1.6
224.88097	1.4
225.05595	2.1
227.03450	4.9
237.05370	1.7
239.10762	1.6
240.04320	1.5
241.05208	2.1
242.02187	1.8
243.03043	2.8
249.05667	2.6
255.02995	2.1
265.05038	2.2
267.10220	2.1
271.02393	3.9
277.05017	3.0
279.06506	2.5
281.08160	2.9
293.04547	9.0
295.05960	1.4
296.03290	7.8
299.01889	7.3
300.02676	4.5
302.09445	1.4
305.04480	2.1
306.04999	1.4
308.03302	2.1
309.04102	10.5
321.04004	13.1
322.04761	17.7
323.05731	7.6
325.03384	8.0
333.04077	3.3
349.03604	4.1
351.05164	5.9
391.12015	2.8
401.10226	3.1
413.12292	4.3
421.20221	2.6
425.19974	2.2
427.21240	2.2
439.21289	3.4
465.19315	5.0
522.15234	3.3
523.16058	4.5
529.22272	2.3
537.60437	1.5
543.11511	3.9
547.23389	2.3
573.21625	3.3
590.21185	2.4
591.22375	56.9
592.22626	8.5
609.23407	32.1
610.23889	3.8
687.26514	6.2
813.29913	40.1
814.30939	7.6
839.50409	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02268	5.4
65.00180	8.0
68.96943	1.7
71.01240	2.8
71.58183	3.0
73.93702	1.5
83.01257	7.2
93.03336	1.7
96.95885	4.9
101.02321	3.1
107.01253	14.4
109.02831	3.0
116.92744	11.5
121.02851	4.3
124.01572	3.5
124.95560	1.7
125.02355	4.3
135.04433	6.1
137.02359	2.1
151.00278	56.7
152.00961	5.3
159.04411	3.4
163.00253	5.6
165.01801	2.4
169.01353	7.2
171.10280	2.6
173.04439	2.5
178.99776	30.6
191.05602	9.0
192.00607	2.7
227.03345	3.7
241.04913	2.5
243.02957	3.4
253.05058	1.8
255.02916	4.4
257.04382	2.6
271.02448	15.7
283.06171	2.0
284.03354	2.7
285.04053	4.2
293.04361	2.3
299.01935	16.9
300.02609	13.5
301.03391	6.1
313.03452	5.7
314.04285	2.7
327.05139	6.2
339.05042	3.2
340.05740	3.0
341.03000	3.1
353.06763	2.2
368.05112	2.5
379.08255	2.6
407.11316	13.1
408.12076	6.4
408.46356	1.9
409.12860	8.0
410.13336	2.6
437.12460	52.0
438.12714	7.8
504.08945	5.4
505.09772	10.7
591.22180	5.6
608.23004	8.6
609.23273	14.9
610.24133	2.0
613.18701	2.6
771.29303	2.5
813.29755	100.0
814.30145	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.7
71.01256	3.1
71.04893	4.1
73.02820	1.3
81.03329	0.5
82.62267	0.4
83.04917	0.7
85.02831	1.1
87.00739	0.8
87.38493	0.4
89.02318	3.1
93.03406	0.4
95.01286	0.5
95.04909	0.4
96.95914	1.0
97.06486	2.3
98.19751	1.1
101.02325	4.7
107.04869	0.5
109.06458	0.4
111.08048	4.8
113.02316	2.2
119.03366	0.8
119.08558	0.6
121.10121	3.3
123.04391	0.5
123.08055	0.7
125.09622	4.1
135.04388	0.4
135.08154	0.5
137.09622	5.4
143.03424	0.6
161.04454	2.1
163.11290	0.5
169.12222	2.1
171.08763	0.7
171.10193	12.5
172.10582	0.5
179.05467	0.8
181.12302	1.0
183.13824	0.9
185.11752	5.5
191.05527	1.6
197.11769	27.6
198.12051	1.2
199.13324	2.2
207.13853	0.7
207.17383	0.5
209.11818	0.7
209.15559	0.4
211.13321	4.3
219.13838	0.6
223.13351	0.6
227.12898	0.7
235.08128	0.5
235.16971	0.9
237.14987	0.8
247.20682	0.5
251.16502	11.5
253.09265	34.0
254.09561	1.5
263.20145	3.1
265.18039	0.8
273.18637	1.1
291.19669	36.2
292.20004	2.7
309.20706	100.0
310.21057	8.6
433.20963	1.0
545.29840	2.5
668.39978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.0
69.23299	6.6
71.01263	3.4
72.99181	0.7
73.02831	0.8
74.31915	0.6
78.95769	0.6
83.04915	1.1
85.02811	1.0
89.02319	0.7
90.88862	0.5
93.03330	1.0
95.04852	0.5
96.95894	5.7
97.06467	0.9
105.06962	0.8
106.04076	0.6
109.02841	1.0
109.06486	1.2
111.08053	7.2
121.55747	0.5
123.08043	3.9
125.09622	3.4
127.11169	1.9
133.06442	0.7
135.04425	1.3
135.08032	2.3
137.09610	1.0
139.11195	1.5
147.65550	0.5
148.01610	0.7
149.09589	1.1
151.11185	1.0
153.09116	2.3
155.10742	2.7
159.04396	0.6
165.09050	1.4
167.10625	2.6
169.12212	1.9
171.10182	18.1
172.10542	0.7
173.04515	0.7
175.07481	0.6
183.10184	2.1
185.11761	11.2
186.12186	0.7
191.05554	2.9
195.10278	1.3
197.11798	5.1
199.09720	1.1
201.11270	20.3
209.04567	0.6
213.11266	6.9
213.65057	0.6
215.12926	0.6
225.11180	1.0
245.19115	2.0
253.09247	4.3
282.43433	0.6
289.18091	4.4
293.21207	7.6
299.01752	0.6
307.19098	3.5
309.20605	0.7
315.13333	0.5
322.08975	0.6
325.11005	2.0
325.20193	100.0
326.20529	7.2
360.60156	0.6
360.64886	0.7
379.96362	0.6
755.87238	0.6
852.40253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	0.8
71.01267	2.6
71.04887	5.1
73.02825	0.6
85.02834	0.6
87.00774	0.6
89.02322	2.2
93.06982	0.6
95.04887	0.5
96.95874	1.2
97.02824	1.2
97.06475	1.9
98.20550	1.3
99.00820	0.4
101.02297	2.4
107.04888	0.9
111.08041	1.8
113.02326	1.2
119.03378	0.9
119.08548	0.5
121.10136	3.1
123.04389	0.6
123.08060	1.2
125.09614	3.8
127.11204	0.6
137.09624	4.7
161.04456	1.2
165.12747	1.2
169.12259	0.7
171.10173	10.5
179.05548	0.5
181.12262	0.9
185.11766	5.9
191.05544	0.7
193.15961	0.7
195.13951	0.5
197.11749	8.7
198.12071	0.6
207.13919	0.7
209.11806	0.9
211.13359	3.2
219.13797	0.7
225.14871	0.7
227.12828	0.8
235.17047	0.9
237.14841	1.0
247.20641	2.1
251.16502	12.4
252.16824	0.7
253.09262	18.6
254.09607	0.7
273.18604	1.5
291.19650	35.1
292.19907	2.6
309.20700	100.0
310.21027	8.0
545.29779	3.4
546.29779	0.6
864.08740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01585	1.8
69.03281	1.1
69.44676	9.4
71.01254	46.7
72.99190	3.7
73.02821	13.4
74.28420	1.0
83.01264	6.1
85.02822	24.2
85.99990	1.3
87.00756	4.1
88.32738	1.0
89.02322	8.0
93.03348	4.2
95.01285	4.2
96.95900	7.4
97.02813	2.9
98.20676	1.8
98.95471	1.3
99.00746	5.1
101.02322	25.6
108.02032	1.8
109.02819	2.4
111.00784	2.8
111.17840	1.2
113.02332	19.1
116.92722	1.7
119.03419	2.5
125.02347	2.4
133.02882	1.6
135.04417	5.2
137.02361	2.2
141.01819	1.2
142.02589	1.3
143.03418	3.8
152.01015	1.2
153.01900	1.4
159.02853	2.9
161.02328	1.3
161.04460	7.0
173.04491	7.7
177.01871	4.7
179.03493	2.2
179.41620	1.1
191.05597	8.6
197.19063	1.2
271.22809	11.0
294.88260	1.1
295.22720	1.5
367.25027	2.6
401.25354	9.7
402.25970	1.8
415.27005	73.5
416.27399	8.1
433.28055	100.0
434.28320	9.1
447.29688	4.1
457.28098	31.3
458.28488	3.0
475.29108	30.9
475.67810	1.2
476.29520	3.2
519.31598	4.3
631.34753	1.2
693.37317	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01592	5.7
71.01253	53.5
73.02818	20.8
75.00733	2.2
83.01254	12.6
85.02827	27.0
87.00761	4.2
89.02318	21.7
93.03321	2.1
95.01266	4.3
98.19756	4.4
99.00774	6.1
101.02322	52.4
113.02332	30.1
119.03377	7.7
143.03381	4.2
147.22594	1.8
149.04407	2.2
156.84808	1.7
159.02902	2.7
161.04448	19.5
179.05545	7.9
191.05563	6.8
199.23956	1.8
205.93709	1.8
231.33759	2.2
235.11827	100.0
236.12209	4.3
265.70105	2.1
277.12900	43.0
347.82315	2.1
533.25812	10.5
693.12903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98668	0.7
69.03333	0.9
69.47366	4.9
71.01253	11.0
72.99184	1.2
73.02816	3.7
79.18227	0.7
83.01251	1.6
85.02831	5.0
87.00753	2.4
89.02322	2.8
93.03325	1.4
95.01260	1.0
96.95887	1.5
98.20522	1.2
99.00758	1.0
101.02330	5.6
108.02077	1.2
109.02840	1.8
113.02328	3.7
119.03381	0.7
125.02320	1.3
126.77274	0.6
133.02835	0.8
135.04404	1.6
137.02325	0.8
143.03389	1.0
153.01840	1.6
155.03464	0.7
161.02316	1.8
161.04491	0.8
163.03934	0.8
165.23172	0.5
173.04417	1.1
177.01830	2.4
179.03403	0.8
191.05525	4.6
205.05290	0.6
207.06516	0.8
265.86737	0.7
311.25787	0.7
313.23944	2.2
327.25375	0.6
339.96579	0.7
341.27011	1.9
359.28040	15.5
360.28323	1.3
473.32291	0.7
503.32169	8.9
504.32401	1.0
508.97507	0.7
521.33282	18.7
522.33734	2.4
545.33252	5.1
563.34351	100.0
564.34692	12.1
605.34680	0.7
647.34827	0.7
751.37671	0.7
811.34851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	0.5
69.03336	0.5
70.33517	1.8
71.01256	2.5
71.04896	6.0
73.02806	0.4
73.07449	0.4
81.03333	1.4
83.01207	0.4
83.04906	0.6
85.02828	1.0
87.00739	0.5
89.02309	1.3
93.03323	0.6
95.01247	0.4
95.04884	0.6
96.95889	6.9
97.06456	2.9
99.04454	0.4
101.02333	1.9
107.04889	1.1
109.06459	1.0
111.04410	0.6
113.02334	0.7
119.08508	0.6
121.06432	0.5
121.10111	4.7
123.04373	0.6
123.08002	1.0
125.09625	4.5
127.11198	0.6
133.06493	0.4
135.04428	0.9
135.08098	0.4
137.09621	7.0
138.09933	0.4
141.12721	1.1
151.11052	0.4
161.04379	0.4
163.11197	1.3
171.10181	16.5
173.04451	0.6
181.12239	0.6
185.11768	7.2
191.05571	2.7
191.14319	0.9
192.05936	0.6
197.11717	1.5
207.10170	1.4
207.13869	0.7
207.17671	0.6
209.11766	1.8
211.13371	1.5
219.13884	0.9
225.11311	1.0
233.15234	0.7
235.16972	0.8
237.14851	1.0
245.19147	2.2
247.20656	0.9
251.16505	15.7
252.16820	0.8
253.09322	3.9
273.18619	1.1
289.18106	10.8
290.18436	0.9
291.19666	31.7
292.20096	2.4
305.08902	0.4
307.19202	7.5
307.50146	0.4
308.19540	0.5
309.20715	100.0
310.21072	6.8
623.28516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98668	0.7
69.03333	0.9
69.47366	4.9
71.01253	11.0
72.99184	1.2
73.02816	3.7
79.18227	0.7
83.01251	1.6
85.02831	5.0
87.00753	2.4
89.02322	2.8
93.03325	1.4
95.01260	1.0
96.95887	1.5
98.20522	1.2
99.00758	1.0
101.02330	5.6
108.02077	1.2
109.02840	1.8
113.02328	3.7
119.03381	0.7
125.02320	1.3
126.77274	0.6
133.02835	0.8
135.04404	1.6
137.02325	0.8
143.03389	1.0
153.01840	1.6
155.03464	0.7
161.02316	1.8
161.04491	0.8
163.03934	0.8
165.23172	0.5
173.04417	1.1
177.01830	2.4
179.03403	0.8
191.05525	4.6
205.05290	0.6
207.06516	0.8
265.86737	0.7
311.25787	0.7
313.23944	2.2
327.25375	0.6
339.96579	0.7
341.27011	1.9
359.28040	15.5
360.28323	1.3
473.32291	0.7
503.32169	8.9
504.32401	1.0
508.97507	0.7
521.33282	18.7
522.33734	2.4
545.33252	5.1
563.34351	100.0
564.34692	12.1
605.34680	0.7
647.34827	0.7
751.37671	0.7
811.34851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69099	0.6
69.36639	7.0
71.01251	12.4
72.78014	0.7
72.99165	1.5
73.02827	5.3
82.17235	0.7
83.01259	2.6
83.04864	0.7
85.02839	6.0
87.00762	2.5
89.02319	3.3
91.01762	0.8
93.03349	2.0
95.01292	1.3
96.95904	2.6
98.95483	0.7
99.00764	1.3
101.02319	8.7
104.87610	0.7
109.02824	1.9
113.02340	4.6
115.00224	0.9
119.03405	1.2
125.02352	1.6
135.04431	4.7
137.02338	1.5
150.03098	1.2
153.01791	1.6
161.02322	1.0
161.04497	1.3
165.01837	0.7
171.10147	1.1
173.04471	2.6
176.01085	1.0
177.01846	1.6
177.05589	0.7
179.03444	1.5
185.11838	1.1
191.05544	7.5
192.05911	0.9
195.06563	0.9
209.04448	0.8
232.29010	0.8
278.93509	0.8
289.16605	1.2
309.24573	0.8
311.22406	0.7
327.25293	1.3
339.25342	6.7
357.26437	18.5
358.26920	1.5
425.18399	0.8
501.30566	8.1
504.51154	0.7
519.31842	18.6
520.19153	0.7
520.31970	2.0
543.31830	5.2
561.32788	100.0
562.33148	11.5
601.38220	0.9
603.34143	1.2
707.13043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09969	10.2
71.01259	8.3
72.99180	2.4
78.98450	9.7
79.95608	19.2
80.96396	98.1
85.02821	4.4
94.97952	24.6
96.95872	2.6
106.98005	3.0
122.97446	5.2
125.02369	2.4
134.97475	6.1
142.45885	2.1
147.06798	2.0
148.99048	8.8
152.98517	7.7
164.98546	13.4
166.40831	2.0
167.30534	2.2
206.99655	3.8
225.00725	21.3
255.23384	3.5
280.91922	2.1
511.43387	2.4
571.13269	2.6
591.23810	3.6
831.85052	2.3
847.48779	100.0
848.49268	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.4
62.96278	1.4
71.01240	4.6
71.33567	1.9
72.79239	1.3
75.23374	1.1
78.95779	100.0
78.98454	3.2
79.95612	9.2
80.96391	40.9
85.02815	2.3
94.97955	8.0
96.95904	1.5
96.96843	18.0
119.13484	1.1
122.97440	2.6
134.97478	2.5
134.98494	1.4
148.99045	2.2
152.98511	1.6
152.99524	15.3
164.98485	2.2
169.44226	1.3
174.99150	3.0
195.13889	1.8
209.77353	1.2
217.00233	8.1
223.00046	4.1
241.01186	19.1
255.23248	27.7
256.23529	2.4
259.01990	1.6
269.24893	1.9
272.95840	1.3
292.30133	1.2
293.21265	8.3
307.87170	1.2
374.99146	1.8
388.25916	1.2
391.22507	1.6
399.38040	1.3
440.81015	1.5
456.01837	1.4
553.27863	1.8
847.49969	42.9
848.50226	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	33.3
65.03851	1.0
65.18289	1.0
69.03328	1.6
71.01254	22.8
71.01655	1.2
71.58552	1.1
71.58924	1.1
72.99206	2.1
73.02824	17.5
78.95782	1.1
83.01260	4.3
85.02812	5.4
87.00764	3.2
89.02317	3.6
91.05415	11.6
93.03336	4.7
95.01253	1.1
96.95887	6.2
97.02795	1.3
101.02331	15.0
107.04897	1.2
108.02033	1.3
109.02843	14.0
113.02328	6.6
113.28381	1.0
119.03425	2.3
121.02833	10.6
123.08004	1.2
125.02345	1.4
131.03407	1.2
133.02893	1.8
135.04419	100.0
136.04797	3.6
137.02357	1.2
141.16977	0.9
143.03432	1.4
147.04436	2.4
151.03970	1.8
152.01108	1.4
155.02551	2.4
159.04393	1.1
160.01820	1.1
161.02345	1.6
161.04488	2.6
165.02118	1.0
173.04518	2.7
177.01825	1.8
179.03404	1.6
182.24551	0.9
189.09126	2.2
190.36784	1.0
191.03824	1.6
191.05513	8.8
200.08453	4.7
209.11697	2.1
215.10696	14.3
216.10889	1.0
227.33337	1.0
231.94374	0.9
315.12457	1.0
326.51416	1.0
337.14432	40.7
338.14862	2.9
499.19968	2.1
517.20886	3.0
534.62366	1.1
541.20654	8.2
559.21960	46.9
559.31128	5.5
560.22125	6.9
603.37402	1.9
703.26007	2.0
763.28113	2.6
851.38348	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.0
67.01759	0.8
70.72914	0.7
71.01266	4.4
71.58447	0.8
71.58794	1.0
73.02813	1.3
81.03341	1.1
83.01252	1.0
85.02818	4.1
87.00738	1.4
88.24434	0.7
89.02299	2.4
93.03331	2.9
95.01232	1.3
96.95890	3.3
99.00746	1.1
101.02324	2.8
107.04944	1.1
108.02052	5.8
109.02836	9.8
111.00799	1.2
113.02326	2.7
116.39430	0.7
119.39922	0.7
120.06940	0.7
121.02851	2.1
122.03619	2.6
123.00765	3.2
123.04382	3.8
131.04921	1.1
133.02876	0.9
135.04427	3.7
136.01572	1.2
137.02333	29.8
139.03917	1.5
143.04868	0.8
149.02348	2.8
149.05975	1.0
150.03134	3.1
151.00269	14.2
151.03923	5.4
152.01051	6.5
152.04712	2.2
153.01840	5.2
153.05405	1.2
155.03319	0.8
159.04410	1.4
161.02344	1.2
161.04478	1.1
161.05963	0.8
162.03165	0.9
163.03926	1.8
164.01019	1.9
165.01845	100.0
165.05490	4.4
166.02631	40.2
167.03377	4.3
173.04489	2.3
175.02525	0.9
175.03954	2.1
177.01888	4.5
177.05510	2.3
178.02603	1.8
179.03412	21.9
180.04198	57.5
181.04987	47.0
182.05357	1.4
184.03654	1.1
187.03998	1.7
190.02701	1.0
190.06273	1.7
191.03601	1.4
191.05531	6.9
192.04196	1.4
193.04994	2.7
194.05797	4.6
195.02977	3.8
195.06560	75.0
196.06924	3.0
200.04840	1.0
202.06432	0.8
203.03346	1.3
205.05002	5.5
205.08658	1.7
206.05644	0.9
207.06570	2.1
210.05264	10.9
219.06583	1.8
220.07373	3.4
225.07640	68.3
226.08028	2.9
297.07318	1.0
317.66235	0.8
359.11444	2.4
371.11310	1.3
372.12213	1.2
373.25839	2.2
386.13544	1.2
387.10092	5.3
387.15002	6.7
402.13077	4.0
403.13812	2.8
416.14880	3.5
417.15521	64.7
418.15808	6.9
444.80109	0.8
449.34814	0.9
517.30249	3.3
535.31427	8.1
565.19214	2.4
566.18494	1.2
580.18842	1.8
595.21802	64.6
596.21918	8.9
613.23260	1.4
624.18085	0.9
639.91595	0.8
643.24078	18.8
644.24731	3.6
685.39960	1.0
778.23035	0.9
803.33972	1.7
847.40320	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	14.5
60.02293	2.2
66.66579	2.1
71.01258	13.3
71.38069	3.4
73.02860	2.5
75.95744	2.3
83.01237	2.7
85.02825	5.4
85.99982	3.4
87.00742	2.9
96.95874	6.2
101.02338	5.1
105.03535	2.1
109.02852	3.0
113.02351	4.2
113.20314	2.2
121.02863	6.2
122.03622	38.3
125.02284	3.1
134.03638	4.8
135.04407	17.1
136.05167	4.6
148.05260	3.0
149.05980	11.2
150.06696	6.6
151.07552	75.7
161.44099	2.0
173.04434	4.0
191.05467	3.9
313.07132	3.3
369.49496	2.3
375.07303	2.9
417.33072	2.7
420.32120	2.7
435.34769	21.6
505.48578	2.5
579.39014	25.5
580.39075	3.5
596.38959	3.9
597.40039	53.7
598.40350	8.6
618.12671	2.3
638.39789	3.1
639.41107	100.0
640.41626	17.5
741.44061	9.2
759.46521	4.2
801.46436	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.8
59.04335	1.1
60.09547	0.8
67.01748	1.2
69.62977	1.6
69.63390	4.2
71.01248	5.4
72.99142	0.9
73.02811	2.1
78.95790	1.3
85.02818	4.0
86.44052	1.0
89.02311	1.9
93.03325	3.2
96.95876	1.6
101.02312	3.7
108.02054	11.6
109.02832	7.7
109.36949	0.9
113.02327	1.6
121.02862	1.4
122.03603	2.6
123.00741	1.0
123.04424	4.0
125.02368	2.0
135.04456	2.3
137.02341	19.1
138.02670	1.0
151.00279	8.3
151.03931	2.7
152.01073	12.0
153.01843	4.6
153.05470	1.1
159.04462	0.8
161.02420	0.9
163.03989	0.9
164.01103	1.1
164.04692	1.1
165.01845	100.0
166.02635	21.2
167.03452	4.2
169.63823	0.9
173.04459	1.2
175.03911	1.3
177.01860	2.6
179.03416	13.8
180.04205	61.5
181.04968	23.0
191.03836	1.1
191.05533	7.5
194.05775	1.8
195.02852	2.5
195.06560	83.0
196.06938	4.0
205.04956	1.5
205.08730	1.0
207.06506	1.0
209.11818	0.9
210.05284	13.9
225.07643	98.6
226.07968	4.2
315.07526	0.9
353.08231	0.8
355.24683	0.9
372.11807	1.1
373.26059	2.4
387.10672	3.2
387.15021	5.6
402.12909	1.5
403.13596	1.3
417.15555	27.2
418.15863	1.7
445.24579	1.1
471.37592	0.8
517.30243	3.0
535.31390	6.5
595.21570	3.6
613.22931	1.1
643.24054	10.9
644.24084	1.1
709.41425	0.9
803.33185	7.1
804.33649	1.1
847.39380	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01595	1.3
69.03323	1.6
71.01257	41.7
71.58431	1.9
72.99174	2.3
73.02817	9.9
81.03315	1.8
83.01245	5.4
85.02821	23.9
85.03290	2.0
85.99959	1.4
87.00732	5.5
89.02326	10.0
93.03330	3.3
95.01256	6.3
96.95891	4.8
97.02827	3.0
99.00761	3.1
99.04430	1.8
101.02328	18.8
105.26221	1.1
109.02872	1.7
111.00755	2.6
111.04384	1.5
112.01509	1.4
113.02332	27.0
116.26765	1.1
119.03387	3.2
119.04941	1.9
124.01540	3.9
125.02342	11.7
129.01759	1.4
131.03430	1.1
133.04855	1.1
135.04375	3.6
137.02309	2.3
143.03387	4.8
149.02293	1.5
151.03856	1.3
153.01788	1.5
153.05455	1.3
161.02396	1.4
161.04460	3.3
173.04543	2.6
177.01785	1.6
179.03432	2.1
179.05455	1.5
191.03833	1.8
191.05516	10.8
209.71648	1.2
241.04924	1.3
243.30914	1.1
267.70609	1.2
299.25919	1.9
345.30161	5.2
377.28674	1.1
420.24252	1.2
489.34448	9.8
490.34857	1.5
507.35672	6.4
544.56610	1.2
549.32666	1.6
597.36298	2.0
615.36957	3.1
633.38513	34.6
634.38617	5.9
651.39594	61.3
652.39850	9.3
669.40576	15.8
670.41205	2.1
679.28668	1.7
693.40759	17.2
694.41309	2.3
711.41766	23.9
712.42218	3.1
753.42426	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01583	1.9
63.74401	0.8
68.07356	0.8
69.03329	2.8
69.43130	4.0
69.43556	4.6
71.01254	44.4
71.29984	0.9
72.99182	3.2
73.02817	11.7
75.00824	0.8
83.01251	6.3
85.02820	21.1
87.00756	7.0
89.02319	16.6
93.03336	2.1
95.01268	7.2
96.95873	1.7
97.02825	3.6
98.19766	1.0
99.00751	3.9
101.02327	23.2
109.02851	1.0
111.00792	2.1
112.01552	1.8
112.72836	0.8
113.02332	27.4
113.30854	0.8
114.02682	1.5
119.03389	4.7
124.01546	3.4
125.02348	9.9
126.02708	1.1
131.03387	1.0
135.04384	1.1
137.02368	1.1
143.03439	5.9
144.84628	0.9
161.04475	3.7
165.09137	1.0
173.04469	1.3
179.05479	1.2
191.05476	6.2
241.21643	2.1
325.37860	1.0
345.30099	5.4
374.44742	0.9
395.48694	1.0
403.26715	1.0
429.17398	1.0
443.23950	1.2
471.33084	2.0
489.34372	11.7
490.34921	1.5
507.35568	5.4
531.35675	1.1
597.36932	2.1
603.38037	1.2
615.37549	1.7
633.38586	38.6
634.39136	4.9
651.39612	64.2
652.40137	9.3
667.27264	1.1
669.40765	17.2
670.41040	1.9
693.40796	18.7
694.40826	3.4
711.30713	0.9
711.41718	25.9
712.42230	3.4
753.42419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.8
65.00185	7.4
66.49625	1.3
71.01260	2.1
83.88602	1.3
85.02868	1.6
88.24843	1.5
93.03329	8.9
96.95911	1.9
97.25323	1.4
108.02124	1.6
109.02843	11.7
119.21275	1.4
121.02849	37.3
124.01584	2.1
125.02337	1.6
129.06989	1.6
133.02884	1.7
135.04449	2.0
137.02335	2.4
137.35684	1.4
139.03882	2.5
143.04982	1.6
147.88832	1.3
148.01547	3.1
149.02382	9.4
151.00307	5.8
152.01027	1.9
159.04456	2.7
161.02406	2.1
161.06050	1.7
163.00240	2.9
173.05933	2.1
175.00310	3.5
178.99834	1.9
183.08115	1.5
185.05983	3.9
191.05557	7.2
197.05983	3.4
199.03877	2.2
201.01907	2.5
203.03372	2.7
203.10684	3.5
211.07430	1.9
214.02646	2.4
215.03360	3.1
217.04974	2.1
225.02057	1.6
227.03464	7.5
227.10664	2.6
229.05023	24.0
231.06516	2.1
241.05006	5.8
243.06541	1.5
255.06601	6.2
256.03564	1.9
257.04459	1.9
269.08197	8.6
271.02548	5.7
271.09769	9.8
295.09769	2.8
299.01990	8.3
299.09451	3.7
300.02710	5.3
303.06461	1.8
313.03699	2.8
319.09665	1.6
351.05011	2.2
355.15555	2.0
365.06744	1.9
376.05743	2.2
377.06708	5.9
379.08173	14.4
380.08801	2.0
381.13766	1.9
381.20670	4.0
391.08212	5.7
399.14429	4.1
399.21646	5.4
405.09735	8.6
419.11298	5.9
420.11963	9.7
421.12924	13.0
422.13309	1.9
425.19662	5.3
426.19669	1.6
443.20718	9.4
449.12543	2.8
471.19812	2.2
479.81625	1.8
504.09106	3.9
575.22906	15.0
576.23590	2.0
592.23346	14.1
593.23889	73.7
594.24188	12.2
625.19537	8.3
635.25122	2.8
636.25818	2.0
755.30029	2.0
779.29395	10.5
797.30280	100.0
798.30707	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	9.1
65.00198	7.9
71.01255	4.8
85.02830	4.2
93.03353	11.2
96.95885	4.8
108.02024	2.7
109.02836	12.2
116.92708	2.1
121.02833	43.3
124.01510	2.0
133.02859	2.3
135.04401	8.9
137.02319	3.3
139.03920	3.3
147.04451	3.2
148.01550	2.3
149.02354	8.2
151.00240	5.5
152.01012	2.2
155.04817	2.3
159.04437	2.2
161.02347	4.6
173.04475	3.4
175.00339	5.7
179.03436	3.2
181.09995	2.1
185.06018	5.4
187.03883	2.2
191.05534	28.7
197.05927	1.9
201.01826	2.8
203.03401	8.6
203.10898	1.9
211.07491	2.4
213.05362	2.0
215.03497	3.1
225.09062	3.0
227.03448	6.8
227.10672	3.9
229.05037	26.0
229.59654	2.0
231.06509	2.3
241.05003	9.4
242.05775	2.5
253.08644	2.9
255.06549	8.3
257.04572	2.8
257.08011	2.0
265.05130	2.4
269.05112	2.0
269.08176	12.3
271.02472	3.9
271.09689	10.3
271.42603	2.3
299.01871	6.8
299.09177	3.4
300.02719	5.5
301.03430	2.4
325.03595	3.0
325.20078	2.5
332.27240	2.2
339.04910	3.3
340.05627	2.4
341.06735	3.4
365.06696	2.9
366.07306	4.3
377.06396	5.2
378.07224	2.5
379.08304	15.9
381.09323	3.0
391.08228	5.3
399.14340	6.1
399.21884	3.3
405.09686	7.8
419.11288	8.3
420.12216	11.3
421.12817	11.0
425.19601	7.8
443.20612	8.7
444.99222	2.2
449.11731	2.1
471.20004	2.3
504.08167	2.2
575.22864	22.3
576.23425	3.3
592.23151	15.6
593.23895	93.5
594.24457	13.2
625.19177	9.4
635.24823	3.4
667.27661	3.9
779.29755	9.6
780.28992	3.5
797.30255	100.0
798.30426	20.7
841.32532	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.1
65.11893	0.3
67.01788	0.3
69.03317	1.4
71.01254	0.9
71.04857	0.3
71.58215	0.5
83.04895	0.7
85.02790	0.4
96.95889	1.2
97.06461	0.5
107.08550	0.7
108.05680	0.6
114.22648	0.3
119.07744	0.6
119.08557	8.3
120.08890	0.3
121.10124	0.8
123.08009	0.3
125.02253	0.4
125.09607	3.4
127.11167	1.4
127.62617	0.3
135.08047	0.7
137.09624	11.0
138.09998	0.4
139.11165	0.8
139.24710	0.3
141.12820	0.3
143.93179	0.4
148.08875	0.3
148.84486	0.3
151.11153	0.8
153.09125	0.6
155.10696	1.6
165.09126	0.5
167.10692	1.6
171.10184	39.4
172.10526	1.2
173.04604	0.3
175.14752	0.3
183.01974	0.3
183.10178	2.1
184.06442	0.3
185.11760	8.8
191.05479	0.4
195.10196	0.8
197.11818	1.1
201.11263	2.8
211.13383	0.9
213.11237	2.9
229.19603	1.0
263.20261	0.4
273.18600	4.3
275.20135	0.5
291.19659	12.8
292.19974	1.2
293.21158	1.4
309.20706	100.0
310.21054	8.3
491.95242	0.3
710.43024	0.4
843.18359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99290	0.8
60.62261	0.8
65.04674	0.9
78.95818	0.9
98.19746	1.6
100.48090	0.8
109.02842	1.2
133.02844	1.0
135.04379	1.1
146.72569	0.9
148.75343	0.8
151.00322	1.7
152.20461	1.0
165.01920	0.9
175.03932	1.0
187.03955	0.9
191.05550	2.4
192.20929	0.8
199.04007	4.4
215.03534	1.5
223.80624	0.8
224.47775	0.9
227.03429	2.5
243.03001	2.8
255.03125	1.5
271.02481	42.1
272.02850	2.0
278.51953	0.9
299.01978	100.0
300.02496	10.8
309.20767	2.2
462.41534	1.0
496.22849	0.9
504.09097	31.7
505.09665	4.0
593.23981	4.5
797.30225	4.3
807.59387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
59.39787	0.3
67.01765	1.2
69.03310	0.3
69.52979	1.3
69.53403	1.1
71.01250	1.2
83.04906	0.9
85.02822	0.5
89.02303	0.7
93.03352	0.6
93.68525	0.3
95.04897	0.7
96.95893	1.2
97.06474	1.1
101.02319	0.9
109.02836	0.6
109.06473	0.7
111.08035	3.1
113.02350	0.3
113.09630	0.3
121.10136	4.4
123.08049	1.0
125.09613	4.8
135.04370	0.5
137.09630	4.5
141.12759	0.5
146.03653	0.5
147.08098	0.4
149.09650	0.3
159.04433	0.4
161.04427	0.5
167.10684	0.9
167.14319	0.9
171.10187	15.0
172.10535	0.5
173.04515	0.4
177.12784	0.6
179.10707	0.7
180.24557	0.3
185.11765	7.6
186.12112	0.4
191.05498	1.6
195.13864	2.5
197.11768	1.6
203.33495	0.3
207.10252	0.3
209.11903	0.5
211.13338	40.3
212.13686	2.3
221.11870	0.5
223.13344	1.2
225.11374	0.3
229.01469	0.6
245.19067	0.4
247.20708	1.1
247.65242	0.3
253.09273	7.4
254.09612	0.5
267.06546	0.4
273.18643	0.9
275.20093	0.6
289.18024	1.8
290.18387	1.8
291.19662	100.0
292.20026	8.3
293.21216	13.7
294.21561	1.1
307.19199	1.6
308.19510	1.1
309.20688	15.1
310.21100	1.2
332.79160	0.3
338.04028	0.4
396.59399	0.3
443.01492	0.4
486.12421	0.4
569.52313	0.4
609.38837	0.3
839.31671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.7
59.41084	0.3
61.81654	0.3
62.30457	0.3
69.03323	3.0
69.82964	0.6
69.83375	1.2
71.01266	0.5
82.95283	0.5
83.04897	1.0
93.03326	0.5
93.06977	0.4
96.95903	1.5
97.02824	0.4
97.06474	0.8
97.98808	0.3
99.92430	0.4
107.08537	0.9
108.05702	0.6
111.08069	0.4
119.08550	9.3
121.06503	0.4
121.10098	0.9
123.08066	0.6
125.09623	4.0
127.11168	2.3
135.08043	1.5
137.09625	15.9
138.09955	0.6
139.11186	1.7
141.12814	0.4
145.47446	0.3
149.09601	0.6
149.48460	0.4
151.11209	1.3
153.09119	1.0
155.10718	2.7
157.12202	0.5
167.10709	2.1
171.10184	64.4
172.10515	1.8
183.10196	3.2
185.11763	13.8
185.13445	0.7
186.12119	0.4
191.05568	0.5
195.10208	1.3
195.13879	0.4
197.11806	2.3
201.11288	4.7
211.13356	1.2
213.11261	4.7
223.13316	0.4
229.19572	1.2
247.20760	0.5
253.09280	0.5
263.20102	0.5
273.18622	5.6
291.19666	22.6
292.19907	1.7
293.21310	1.6
299.02100	0.7
300.02924	0.6
309.20718	100.0
310.21063	8.0
324.46545	0.4
357.93106	0.3
504.09247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.0
69.03334	1.8
69.30601	5.4
71.01257	0.7
71.04869	0.7
76.19402	0.6
83.04894	1.3
96.95908	1.4
97.02827	7.4
97.06465	0.7
109.06450	0.6
111.08020	0.8
119.08547	1.2
120.17041	0.6
123.08041	0.7
125.09604	1.2
137.09634	6.0
139.11150	0.9
151.00337	0.6
151.11201	1.6
158.63063	0.6
163.11209	1.2
165.12762	4.0
171.10184	11.9
179.14258	1.0
181.12190	1.0
185.11726	1.1
191.05533	1.0
193.12262	1.1
195.13861	1.4
201.11176	0.7
203.14386	0.7
209.11691	1.9
211.13383	1.1
218.44398	0.6
221.11768	0.8
221.15398	1.1
223.13358	1.8
227.12891	1.4
239.12868	1.2
240.13707	0.8
247.20569	4.4
271.02380	1.2
273.18570	1.5
275.19989	0.8
291.19666	49.9
292.19974	3.9
293.21240	2.6
297.61588	0.7
299.01892	1.1
300.02646	1.3
309.20706	100.0
310.21078	7.3
411.67987	0.7
463.08606	0.7
597.88794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	1.2
62.00323	0.3
66.98547	0.3
69.03336	0.4
71.01257	11.0
71.57697	0.5
72.99188	0.4
73.02818	4.6
75.00769	0.5
81.03368	0.3
83.01273	2.4
83.04865	0.3
85.02827	5.1
85.61070	0.3
87.00763	0.9
89.02324	5.8
93.03333	0.3
95.01289	0.8
97.02873	0.8
99.00774	3.2
101.02326	12.1
102.02675	0.3
109.02859	0.8
111.00801	0.3
113.02338	3.6
119.03445	0.3
121.79910	0.3
125.02362	2.0
129.01894	0.5
131.03423	1.0
132.53735	0.3
135.04411	0.6
138.06819	0.5
143.03461	0.5
149.04449	2.7
151.00319	0.4
152.08394	0.9
153.09094	0.5
159.02917	0.9
161.04469	4.1
163.11234	0.4
191.05563	2.0
199.10541	0.3
205.12260	2.9
205.13710	0.3
233.06702	1.3
235.11836	19.0
236.12247	0.9
251.07555	0.4
277.12933	11.0
278.13449	0.9
293.08826	2.0
321.11829	0.3
348.65735	0.3
393.05902	0.3
431.89505	0.3
438.79526	0.3
475.10532	0.3
517.22882	16.3
518.22797	1.5
707.98358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.6
63.81660	0.5
69.03305	1.1
69.63264	3.3
71.01257	3.2
71.04889	11.5
72.99178	0.5
73.02837	0.6
80.23579	0.5
83.04894	1.2
85.02830	0.9
87.00736	0.7
89.02318	2.9
93.03312	0.7
95.04896	1.5
96.95885	3.5
97.02825	0.9
97.06464	5.2
101.02319	2.7
107.01212	0.7
107.04868	0.9
107.08519	1.0
109.02826	0.6
111.04385	0.5
112.61004	0.6
113.02325	0.9
119.03380	0.7
119.08521	1.2
121.02819	0.7
121.06515	0.6
121.10120	3.2
123.08036	1.5
125.09586	3.4
127.11185	1.1
135.04456	0.6
135.07986	1.0
137.02310	0.8
137.09619	16.2
138.10043	0.7
141.12753	1.1
146.03668	0.9
147.08057	0.9
151.00284	2.5
151.11165	1.1
152.01059	0.7
153.09023	0.5
155.10735	0.7
159.04492	0.9
161.04439	1.5
163.11201	0.6
171.10179	45.2
172.10510	2.0
173.04506	0.8
178.99683	1.3
179.05574	0.6
181.12306	1.0
185.11783	6.4
191.05537	3.6
195.13855	4.2
197.11749	1.2
201.11293	3.1
207.13858	1.4
209.11742	0.9
210.12285	0.5
211.13313	1.0
219.13889	1.2
223.13345	2.8
229.01390	0.5
233.15500	1.9
235.16977	3.6
237.14838	1.5
245.19087	2.4
246.19373	2.3
247.20547	1.0
251.13879	0.8
251.16516	15.7
252.16927	0.9
253.09245	26.4
254.09715	1.5
271.02548	0.6
273.18665	1.6
275.20096	5.4
289.18085	8.6
290.18451	5.7
291.19656	40.6
292.19992	2.7
293.21219	59.3
294.21512	3.9
299.01889	1.1
300.02655	1.8
307.18973	1.2
308.19427	1.4
309.20697	100.0
310.20993	7.3
332.57233	0.6
338.04501	0.6
392.64673	0.6
504.08890	0.6
509.83942	0.7
529.30060	1.7
555.20520	0.8
591.22040	1.4
795.29498	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
62.62314	0.2
67.04639	0.3
69.03338	0.3
69.29023	1.5
69.29439	0.8
71.01231	1.1
73.02805	0.4
73.28718	0.2
78.95764	0.2
83.04902	0.6
85.02847	0.3
89.02326	0.7
93.06995	0.2
97.06473	0.4
101.02312	0.8
107.08547	3.3
111.03282	0.2
111.08035	0.6
113.02322	0.5
119.08579	0.6
123.08022	0.6
125.09612	0.7
137.09651	1.1
139.07571	0.3
139.11186	2.3
139.60172	0.3
141.09135	0.4
149.09599	0.3
151.11201	0.7
153.12750	0.6
165.12787	0.3
167.10657	0.6
169.12289	0.3
171.10162	2.0
177.12781	0.7
179.10690	0.3
183.10199	0.4
185.11690	0.4
193.12244	0.3
195.13858	1.1
197.11740	2.0
199.13319	2.1
201.11183	0.3
211.13304	0.7
213.11296	1.6
221.11841	0.6
229.14415	1.6
229.19595	0.3
235.08302	0.3
239.12866	1.5
241.14400	0.3
247.20670	2.0
253.09271	3.3
263.20233	1.5
273.18622	2.0
277.21722	18.4
278.22089	1.1
289.18253	0.3
291.19666	24.0
292.20090	1.7
293.21121	0.3
305.21259	0.5
308.19928	3.3
309.20645	3.4
310.20953	0.3
323.22269	100.0
324.22583	7.9
487.19189	0.3
636.81152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.6
60.25961	0.7
61.98706	2.1
69.65691	3.5
69.66106	1.3
71.04897	1.9
79.95589	0.9
80.02543	1.6
81.03333	1.5
83.04905	1.3
87.76835	0.6
95.04919	2.2
96.37114	0.7
96.95890	10.8
97.02859	4.2
97.06469	2.0
106.51472	0.7
109.06454	1.3
121.06477	0.7
121.10146	0.7
123.04412	2.4
123.08064	3.3
135.04422	1.1
137.09615	3.8
139.11230	1.9
142.76900	0.7
143.89424	0.7
148.08847	0.8
149.09618	2.1
151.11200	3.6
153.09129	1.2
153.12743	2.2
157.11079	0.7
163.11198	1.2
165.12770	2.3
167.10628	0.8
171.10214	5.3
173.04433	1.0
177.12784	1.7
185.11737	0.8
191.05507	2.5
191.14365	3.3
199.13373	1.5
201.11331	0.9
203.14337	0.9
209.11757	3.7
217.15916	1.9
245.19081	28.6
246.19408	1.5
251.16541	2.0
253.09201	0.8
264.61835	0.7
265.17914	0.8
271.16998	1.0
287.16138	0.8
289.18091	100.0
290.18454	9.5
291.19632	6.7
292.20105	1.0
293.21170	1.9
307.19131	25.4
307.22626	1.5
308.19498	2.3
309.20703	10.7
563.30450	0.9
628.47845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
63.40966	0.5
67.01765	0.5
69.03328	7.1
70.33214	1.3
71.01261	1.2
81.03352	0.7
83.04895	1.2
93.03342	0.8
96.95894	5.8
97.22643	0.6
106.32305	0.5
107.04922	0.6
108.05728	1.4
109.02866	0.6
111.08041	0.6
119.08554	10.4
121.06432	0.6
125.09595	0.9
127.11178	1.6
135.08054	3.7
137.09624	39.8
138.09940	2.0
139.11102	0.6
153.09190	0.6
166.96001	0.7
171.10181	100.0
172.10507	3.4
185.11783	1.2
191.05545	2.2
201.11272	3.5
253.09250	2.2
273.18610	3.5
291.19656	21.7
292.20013	2.4
309.20697	88.9
310.20999	7.9
527.28680	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.9
61.98706	2.0
64.06824	0.8
65.17962	0.7
69.03263	0.7
71.01239	1.0
71.04893	1.4
71.34927	1.3
75.46597	0.9
80.02537	1.2
83.04897	1.3
89.97758	0.8
93.03386	1.3
95.04906	3.1
96.95893	15.0
96.96814	0.8
97.02827	4.3
97.06471	2.3
109.06464	2.4
111.08068	0.9
123.04385	2.7
123.08047	3.1
130.37154	0.9
137.09633	2.4
139.07472	0.8
139.11200	1.3
149.09685	1.9
151.11172	5.4
153.12813	1.4
162.42630	0.9
163.11267	1.0
165.12767	2.6
171.10173	6.1
175.11264	0.9
177.12759	2.1
191.05537	2.5
191.14345	4.0
203.14310	1.4
209.11752	3.8
217.15862	3.2
238.12003	1.3
245.11964	1.0
245.19093	29.2
246.19424	1.9
251.16486	2.2
253.09286	1.7
265.17883	1.0
271.16953	1.4
275.20056	1.4
289.18115	100.0
290.18408	8.5
291.19727	6.2
293.21222	2.1
307.19199	23.6
308.19498	2.3
309.20731	11.5
310.20889	1.1
625.66833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
63.96115	2.2
64.15009	0.5
69.03320	1.1
70.32962	2.5
70.43924	0.5
71.01257	10.3
73.02837	1.3
78.98469	7.3
79.95606	18.8
80.73717	0.6
80.96394	100.0
81.03353	0.6
83.01248	0.7
85.02805	3.2
87.00745	2.7
90.29736	0.5
94.97964	19.7
96.95883	1.8
97.02829	2.1
99.00773	1.0
101.02313	3.3
106.97971	4.5
118.06187	0.6
122.97488	3.9
125.02345	2.8
127.03864	0.8
132.44107	0.6
134.97504	5.6
136.99040	1.9
136.99980	0.5
148.99048	7.5
152.98560	5.8
164.98563	11.6
186.50426	0.6
206.99684	2.5
225.00710	13.9
226.01093	0.8
277.21786	1.0
468.77716	0.6
559.25671	2.8
568.57825	0.7
591.77814	0.6
666.61914	0.7
837.48279	68.4
838.48505	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.5
59.01253	11.3
69.03320	1.0
69.38427	3.6
71.01254	10.6
72.99184	0.9
73.02824	1.9
75.44144	0.4
78.95779	1.1
80.02542	1.3
81.03321	1.5
83.01257	1.0
83.04903	5.2
84.02032	0.9
85.02824	2.9
87.00757	2.6
88.78427	0.3
89.02319	9.3
93.03342	1.5
95.01254	0.8
95.04903	1.1
96.95881	1.9
97.02850	1.5
99.00770	0.4
101.02325	8.4
108.02043	0.5
109.02841	0.9
109.06500	0.5
111.00758	0.5
111.04436	0.6
113.02341	4.9
115.00248	0.4
119.03411	2.4
121.02821	0.5
123.04442	0.6
124.23826	0.3
125.02345	3.6
125.05912	0.6
125.09627	0.4
131.03363	0.7
134.06052	0.4
135.04431	1.9
135.08035	0.9
137.02347	1.1
143.03389	1.1
149.04369	0.5
151.00359	0.4
153.01836	0.7
160.68503	0.4
161.02321	0.8
161.04488	2.4
163.11185	4.4
165.12798	2.7
171.10185	1.0
173.04498	1.4
175.02383	0.8
177.01869	1.0
179.03348	0.7
179.05576	2.4
181.12292	0.6
191.05531	4.6
191.10727	1.3
199.86729	0.4
209.11777	100.0
210.12111	4.2
221.06587	0.6
227.12845	14.1
228.13216	0.7
235.08194	2.0
247.13322	0.8
253.09201	0.4
263.07703	0.5
265.14508	0.6
287.07706	0.7
305.08722	0.7
308.05038	0.4
323.09763	0.7
333.02612	0.7
379.12341	1.7
392.38260	0.4
397.13516	18.5
398.13837	1.3
415.14557	5.6
467.26813	0.5
607.25995	0.6
799.37646	0.7
817.38708	0.5
835.40698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.3
61.98698	2.3
63.23999	0.9
65.03832	41.8
66.04169	1.0
67.01772	1.0
69.03312	0.8
69.31043	6.7
71.01248	2.5
71.04892	21.4
71.71602	0.7
73.02785	0.9
73.27038	0.7
83.04893	2.1
85.02818	1.1
93.03361	1.6
96.95892	2.3
97.06465	47.2
98.06789	2.0
101.02281	0.9
119.03459	0.8
119.08562	8.4
119.49835	0.8
121.06484	66.8
122.06835	2.9
123.08035	2.9
123.79424	0.8
125.09617	33.4
126.09900	1.0
135.04453	1.1
135.08047	1.0
137.02272	0.8
137.09622	3.4
141.12746	1.1
150.90480	0.7
163.11226	1.6
165.12759	4.2
167.10826	0.9
185.11754	61.7
186.12097	1.9
191.05544	4.6
209.11771	30.1
210.12114	1.5
211.13324	29.8
216.78331	1.0
233.15517	2.2
235.13354	67.7
236.13733	2.8
247.20667	1.9
253.09248	3.8
289.15723	0.8
289.18097	27.5
291.19669	29.3
292.19992	2.1
292.78943	0.9
307.19144	100.0
308.19482	5.5
313.95386	0.9
331.15634	1.0
406.81812	0.8
566.78180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00987	1.1
59.01253	12.6
69.03284	0.8
69.33041	4.2
69.33468	2.5
71.01252	10.7
72.99145	0.8
73.02798	3.8
81.03315	1.7
83.01253	1.8
85.02815	7.3
87.00727	1.4
88.98647	1.6
89.02293	3.8
91.01740	1.2
93.03329	3.7
95.01264	4.5
96.95881	2.9
97.02808	0.8
99.00730	0.8
101.02319	5.4
104.56201	0.6
108.02048	89.2
109.02848	40.8
109.03937	1.0
110.03168	1.0
113.02353	3.6
119.03384	1.3
119.04913	0.8
121.02851	1.9
123.00754	2.9
123.04383	1.9
124.01561	0.8
125.02330	1.8
133.02882	1.1
135.00761	2.3
135.04395	2.5
137.02333	3.1
149.02199	0.8
150.03114	0.7
150.06749	0.9
151.00264	1.3
151.03877	2.4
152.01053	83.6
153.01837	32.6
153.05334	0.8
154.02197	1.8
158.15611	0.8
161.02287	1.3
163.03850	2.0
165.01866	1.5
165.05406	1.3
167.03435	0.8
173.04544	1.7
175.02332	1.0
177.01849	1.3
178.99782	0.9
179.03351	1.4
179.10693	0.7
181.04979	0.7
185.11681	1.2
191.05528	7.8
195.06459	1.2
227.12802	0.9
237.14125	0.8
241.05019	0.9
285.03952	0.9
300.02502	0.9
315.07138	0.9
357.26379	3.6
375.27502	7.5
376.27863	1.6
519.31635	2.2
537.32745	14.0
538.32977	2.2
672.40320	0.8
673.41699	0.9
709.23560	0.7
834.45728	1.0
835.39642	100.0
836.39941	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	18.3
59.28584	2.0
60.92740	1.8
69.63798	6.8
69.64204	5.5
71.01250	14.5
73.02809	5.3
81.74822	1.9
85.02821	8.3
87.00766	3.1
88.98693	1.9
89.02305	7.2
93.03353	9.0
95.01221	2.8
96.95886	3.7
98.80582	1.8
101.02322	5.7
108.02054	73.0
109.02853	39.4
111.00844	2.2
113.02318	9.8
123.04388	4.1
135.04393	5.3
136.01692	1.9
137.02347	3.6
151.03947	2.7
152.01056	72.6
153.01860	30.9
163.03877	4.4
165.05496	2.0
173.04468	3.7
175.17386	1.8
179.03383	2.6
182.77354	1.8
191.05559	12.0
207.20093	2.0
209.12010	2.3
215.70212	1.7
241.04987	4.2
253.62878	1.9
260.27203	2.0
295.18430	1.8
361.38831	2.1
375.27359	7.3
461.94266	1.9
519.30994	2.4
537.32599	11.5
655.23285	2.3
673.23816	2.5
835.39709	100.0
836.40173	20.7
847.82208	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01585	1.0
65.56049	0.2
69.45853	1.0
69.46284	1.1
69.71658	0.2
70.54079	0.2
71.01256	9.0
72.99184	0.3
73.02821	3.4
78.95750	0.2
83.01263	1.5
85.02824	5.1
87.00777	0.6
89.02328	1.5
90.19095	0.2
93.03363	1.0
95.01292	0.6
96.95945	0.4
97.02900	0.4
99.00762	1.3
100.35229	0.3
101.02330	7.2
103.12067	0.3
108.02108	0.3
109.02898	0.5
111.00755	0.3
113.02339	4.6
119.03410	0.5
125.02329	0.5
135.04468	0.4
143.03423	0.7
152.01012	0.3
153.01888	0.5
156.06451	0.2
159.02942	0.9
159.04237	0.2
160.31117	0.2
161.02376	0.2
161.04475	5.4
173.04565	0.4
191.05568	2.8
192.05943	0.3
205.03687	0.4
285.04251	0.3
313.16766	0.5
331.17639	12.3
332.18140	0.6
366.20947	0.2
373.18713	14.0
374.19229	1.2
417.17871	0.7
520.99060	0.2
619.97937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	20.1
59.70664	0.2
69.33588	0.9
69.34011	1.6
71.01250	1.2
78.95777	1.4
85.02824	0.4
89.02312	1.0
100.08738	0.2
101.02310	1.0
113.02333	0.6
119.03378	0.3
152.99506	2.1
161.04446	0.5
163.18979	0.3
191.05568	0.4
231.49451	0.3
235.08275	0.9
241.01241	0.3
253.09256	4.1
254.09698	0.3
255.23192	1.2
256.23669	0.4
259.20432	0.4
275.19882	0.2
277.21716	100.0
278.22058	7.3
291.70709	0.3
317.53345	0.2
319.22818	0.3
337.71051	0.3
513.30255	0.3
723.09125	0.3
833.51764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.47128	0.4
60.01581	0.8
62.02662	0.4
69.31599	3.4
69.32015	1.3
71.01254	10.0
71.01616	0.8
73.02823	2.3
77.01278	0.4
83.01270	1.4
85.02829	4.6
87.00793	0.6
89.02327	1.8
95.01272	0.9
96.95926	0.5
97.02885	0.4
98.20563	1.0
98.51266	0.4
99.00777	1.5
101.02313	6.6
101.02922	0.6
103.58015	0.4
108.01997	0.6
109.02819	0.6
111.12269	0.4
113.02334	3.5
119.03348	0.6
121.02852	0.6
125.02325	0.7
135.04477	0.7
153.01790	0.6
159.02960	0.8
161.04445	3.9
173.04445	0.8
179.03311	0.5
191.05540	4.3
207.82274	0.5
313.16397	0.5
331.17648	11.3
332.18118	0.9
373.18677	16.7
374.19180	1.2
630.68579	0.5
673.23566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.7
64.87920	0.7
69.03321	2.5
69.51480	6.2
71.01252	10.6
72.99189	1.1
73.02816	3.0
81.03318	2.5
83.01283	1.7
85.02832	8.0
87.00768	1.3
89.02322	4.0
93.03344	4.3
95.01251	5.0
96.95855	1.1
97.02815	1.3
101.02328	6.0
107.01294	1.0
108.02054	90.1
109.02849	43.4
110.03184	0.8
113.02321	2.8
119.03385	1.8
121.02838	3.1
123.00772	3.9
123.04407	2.2
125.02359	4.5
125.09611	1.0
127.00043	0.8
133.02821	1.5
134.03596	1.1
135.04420	4.2
137.02339	6.2
147.04465	0.8
149.02356	1.2
150.06761	1.4
151.00276	2.4
151.03891	2.6
152.01062	83.9
153.01846	39.6
154.02101	1.3
155.50026	0.8
163.03894	3.7
165.01851	1.6
171.10185	2.7
173.04449	1.7
177.01839	3.1
191.05475	6.5
195.02887	1.2
198.02588	0.9
209.11945	1.0
242.05780	1.0
243.06506	1.1
279.05045	3.3
281.06458	0.9
297.06168	3.1
301.03403	1.6
315.07529	1.2
330.91785	0.9
339.07236	5.3
355.24792	2.0
373.25964	7.1
517.30200	1.5
535.31305	16.7
536.31372	2.3
670.46075	0.9
833.38153	100.0
834.38263	18.4
844.82874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	23.7
67.57402	1.2
69.03317	1.7
71.01253	19.3
71.59050	1.7
72.99163	1.5
73.02803	4.4
74.98962	1.6
78.95774	3.0
81.03332	2.4
83.01260	1.6
83.04900	1.7
85.02812	11.4
87.00730	2.8
89.02318	7.0
93.03337	12.7
95.01238	5.3
96.95902	10.1
97.02775	1.4
101.02321	9.3
108.02058	79.0
109.02853	36.3
113.02315	5.9
115.00249	1.7
118.97955	3.2
119.03376	3.6
119.04881	2.0
121.02804	4.6
123.00749	2.6
123.04438	6.5
125.02309	2.6
133.02837	2.1
135.00746	3.0
135.04419	6.6
136.01523	1.2
136.05182	6.6
137.02333	16.9
149.05983	2.2
150.03102	1.6
150.06726	5.8
151.00125	1.6
151.03900	2.2
152.01065	72.4
153.01859	32.2
153.05438	2.9
161.04443	3.6
163.03876	1.7
163.07503	2.3
165.01842	1.4
165.05421	2.0
165.09132	3.6
173.04393	3.8
175.02310	2.2
177.01772	2.9
179.03412	1.7
179.05359	1.4
181.04951	1.5
184.07635	1.4
185.11722	3.2
191.05530	16.9
209.11794	1.5
226.49799	1.3
271.14725	1.8
343.21194	1.8
355.24802	2.5
373.26013	6.9
509.31107	4.3
517.29791	3.0
535.31268	13.3
536.31091	1.5
550.71356	1.4
573.05627	1.7
643.33405	2.0
729.40924	1.7
747.41205	2.1
833.38159	100.0
834.38660	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
62.21995	1.0
63.97487	1.0
69.03307	1.4
71.01252	31.4
73.02821	42.3
81.03355	1.0
83.01256	11.3
85.02809	5.2
87.00740	1.1
89.02308	8.7
91.05412	1.9
93.03326	1.9
95.01270	2.2
95.04914	1.0
101.02322	38.7
108.02037	3.0
109.02851	5.5
113.02328	14.6
119.03365	3.8
121.02856	5.6
125.02314	2.1
131.03395	4.5
135.04414	18.0
137.02400	1.2
143.03413	3.9
147.04408	4.3
149.04465	8.3
149.05589	1.3
151.00282	1.0
152.01065	3.0
153.01839	2.9
161.04453	13.0
161.05951	9.0
165.05460	8.7
167.03468	1.0
173.04483	1.7
179.07047	4.9
191.05525	7.7
191.07002	1.5
203.05629	1.1
221.06560	3.2
229.43617	1.1
271.12827	1.0
301.10840	14.7
302.11014	1.8
311.12521	1.3
463.16156	9.7
464.16095	1.1
833.41858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96124	4.5
69.48740	5.9
69.49178	7.5
71.01251	10.5
78.98463	8.0
79.95612	32.5
80.96396	84.9
81.03367	1.8
85.02826	2.6
87.00774	2.7
87.45780	1.5
94.97968	21.1
101.02318	3.1
106.97969	3.5
117.31886	1.7
122.97469	2.8
125.02368	2.5
134.97476	6.5
136.99042	1.8
147.20885	1.7
148.99049	6.3
152.98564	4.8
158.55435	1.9
164.98576	13.6
206.99640	2.8
225.00726	22.0
235.20107	1.9
260.61475	1.7
283.05130	2.6
293.21701	1.5
341.05478	1.8
537.27802	3.2
575.25336	2.0
585.54486	1.7
831.49396	100.0
832.49774	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.9
61.11338	0.3
62.96260	0.3
70.31825	1.2
71.01259	0.4
78.95776	84.4
80.96391	0.8
81.49629	0.2
96.96842	19.2
111.27729	0.2
115.55193	0.3
119.90219	0.2
122.87455	0.2
128.95589	0.2
134.98419	1.1
141.01598	0.9
145.39305	0.2
150.97922	0.3
152.99489	23.5
161.04370	0.3
171.00545	0.5
178.38943	0.3
180.32178	0.2
223.00081	9.8
223.84789	0.3
241.01161	39.6
242.01535	1.1
255.23276	63.3
256.23596	4.7
259.02209	2.8
259.20639	0.5
275.20071	0.5
277.21722	41.5
278.22040	3.3
297.03799	2.8
302.93060	0.3
315.04849	1.3
381.29581	0.3
391.22559	11.9
392.22830	1.0
399.98196	0.3
409.23389	0.9
413.21036	1.6
553.27850	9.3
554.28015	1.2
571.28961	1.7
575.25873	1.5
576.26550	0.4
593.26782	0.3
709.04175	0.3
831.50269	100.0
832.50616	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.3
59.01251	100.0
60.01588	0.9
69.03342	0.3
69.61597	2.1
71.01252	8.6
72.99186	0.5
73.02823	4.6
79.96621	0.3
83.01256	2.0
85.02821	3.1
89.02310	3.2
95.01259	0.5
99.00802	0.9
101.02320	7.1
113.02332	3.8
119.03401	0.4
135.04362	0.3
138.01927	0.5
143.03398	0.9
149.04436	0.4
159.02925	0.5
161.04462	3.4
173.04428	0.4
179.07124	0.4
189.12807	0.9
191.05600	1.1
201.05431	0.3
207.13826	0.4
243.09416	0.3
247.74626	0.2
269.10336	4.1
270.10754	0.3
311.11438	1.9
312.11667	0.3
369.19135	1.4
387.20197	2.4
411.20261	0.5
429.21313	4.4
430.21609	0.5
436.88437	0.3
437.20251	0.3
860.51245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.1
69.25267	6.4
69.25690	7.8
73.02824	1.8
85.02831	3.2
87.00762	2.6
88.98690	4.1
93.03336	2.9
96.77020	1.2
98.20589	2.7
100.19757	1.1
108.02046	3.4
109.02863	3.3
109.06526	1.7
113.02299	1.3
121.02859	12.0
122.03586	1.4
133.02855	2.0
135.04399	1.8
151.00223	2.2
152.01088	2.6
153.01889	1.9
159.08075	6.4
165.01833	1.8
175.07513	2.3
177.01889	4.9
177.09134	36.7
177.44664	1.3
179.69269	1.4
191.05591	14.3
202.97134	1.3
203.07094	19.4
221.08153	73.9
222.08488	2.9
227.03484	37.0
227.05757	2.5
228.03908	3.3
250.14037	1.2
255.02969	46.5
256.03494	6.4
257.04507	1.3
263.09436	1.8
279.00516	1.6
284.03259	47.6
285.03992	21.0
327.12598	1.3
332.25455	1.7
383.13474	80.7
384.13770	7.0
447.09348	100.0
448.09900	8.2
639.26080	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01572	0.9
69.34212	1.9
69.34618	6.7
71.00893	1.3
71.01257	14.3
72.99168	1.0
73.02823	10.0
83.01243	4.4
85.02826	3.9
87.00739	1.1
89.02326	4.8
93.03363	1.7
96.95854	1.0
101.02328	10.3
108.02042	1.2
109.02842	2.2
113.02335	4.1
115.26646	0.7
119.03422	2.0
121.02931	0.8
125.02334	1.0
126.99419	2.3
135.04362	1.9
137.02350	2.1
143.03378	1.1
149.04495	1.5
149.05920	0.9
151.03917	1.9
152.01160	1.1
153.01779	2.4
161.02434	1.0
161.04489	5.4
173.04439	1.8
179.05524	1.2
179.06998	1.0
180.35602	0.8
191.05525	8.5
371.20682	2.1
373.22479	4.0
415.23395	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	1.1
63.29676	0.9
69.60005	1.6
69.60420	5.4
71.01257	13.3
73.02825	13.0
83.01259	3.6
85.02829	3.5
87.81990	0.9
89.02317	7.3
95.41237	0.8
101.02320	12.2
104.91007	1.0
107.40403	1.0
113.02336	6.1
119.03390	2.9
143.03412	1.2
149.04485	2.2
161.04456	4.1
165.01767	1.2
173.04520	0.9
177.01863	1.2
179.05489	1.7
191.05508	2.5
200.48520	0.9
279.48032	0.9
313.98581	0.9
371.20703	2.4
413.21738	2.9
522.41498	1.1
627.46594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	1.1
61.65276	0.5
66.74379	0.5
66.74789	0.5
66.89103	0.6
69.03298	0.8
69.31782	3.7
69.32207	2.8
71.01242	0.7
71.04869	1.6
76.12040	0.6
78.57247	0.6
78.95779	10.3
83.04872	1.0
93.06942	1.5
96.96793	1.6
97.06467	3.1
102.71060	0.7
119.07889	0.7
119.08565	6.7
121.09297	0.9
121.10117	11.6
122.98371	1.4
123.07993	1.7
124.99976	1.6
125.09613	11.3
137.09550	0.7
141.12749	0.8
147.07962	0.8
149.09593	1.0
151.11198	0.6
152.99483	4.2
165.12721	0.6
168.04208	1.9
169.53712	0.6
169.84633	0.6
171.10194	16.4
185.11757	21.3
197.11781	6.4
208.73784	0.6
209.11754	2.8
211.13358	3.5
216.37811	0.6
223.13318	1.8
224.06874	1.2
229.19556	3.4
242.07988	2.1
247.13449	0.8
247.20644	4.6
273.18661	8.7
274.19119	0.7
275.20148	4.2
279.23294	100.0
280.23633	7.6
289.18109	0.9
291.19675	83.9
292.20020	5.9
309.20782	4.7
328.00403	0.6
334.29980	0.7
433.23520	1.2
459.25842	0.7
504.30984	30.4
505.31256	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50643	0.8
59.01250	100.0
69.03320	2.8
69.23732	8.4
69.24137	3.0
71.01252	29.1
72.99184	1.9
73.02818	6.2
81.03345	1.1
83.01267	3.5
85.02825	16.7
85.99966	0.9
87.00755	4.1
89.02312	6.6
94.60728	1.1
95.01271	4.7
96.95870	1.9
97.02818	4.5
98.20566	1.9
99.00755	3.2
101.02324	16.9
111.00757	1.7
113.02328	20.7
119.03399	1.7
124.01529	2.4
125.02341	9.3
135.04404	1.4
143.03416	5.2
161.04457	2.5
173.04558	1.6
191.05536	5.5
275.67511	1.1
283.26376	1.6
285.03864	1.4
329.30679	1.7
449.10172	1.1
473.34915	6.3
474.34888	1.0
491.35672	5.2
577.24646	1.9
587.37842	1.3
599.38086	2.3
617.39063	25.3
618.39380	4.3
635.40125	63.5
636.40350	12.1
653.41040	17.3
654.41339	3.1
677.41364	12.3
678.41168	2.5
695.42334	19.2
696.42072	4.7
737.43085	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.6
64.11835	1.1
65.00222	2.6
71.01257	4.2
73.58306	1.2
73.88878	1.0
77.57217	1.1
77.95203	1.1
83.01305	1.1
84.42368	1.1
93.03339	10.0
101.02324	1.3
108.02087	1.3
109.02845	1.9
113.02315	1.3
121.02842	1.4
123.04411	3.6
133.01338	1.8
133.02870	2.8
133.04996	3.0
135.04395	1.7
137.02437	1.3
145.02855	1.7
175.03917	1.6
185.06068	1.2
191.05563	5.0
197.06082	1.4
199.03954	1.9
225.05652	1.5
227.03461	2.8
227.07172	1.3
227.10713	1.8
229.04974	2.0
240.04279	1.3
241.05009	1.9
253.05045	2.5
255.02930	3.7
255.06619	2.7
255.10210	2.0
263.07077	2.1
269.08237	2.2
270.08661	1.7
271.09766	1.7
277.04971	1.4
279.06546	2.9
283.02475	4.6
284.03220	4.7
285.03973	7.7
290.05707	1.6
293.08261	1.6
309.04092	2.1
311.05585	2.2
323.05563	3.2
324.06400	6.6
335.05542	12.4
349.07275	2.6
361.07037	4.7
375.08704	6.3
381.20837	1.7
389.10135	6.1
403.11758	9.0
404.12607	5.9
405.13397	24.4
406.13773	3.4
407.19235	1.5
491.34970	1.4
507.16312	4.1
559.23309	11.6
560.22955	1.5
576.23517	2.9
577.24408	100.0
578.24835	16.0
609.19684	14.0
617.39197	2.2
619.25574	4.2
635.39764	3.8
763.30072	1.9
781.30762	39.1
782.30731	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.5
61.98676	1.3
69.03311	1.6
69.40253	7.1
69.40665	2.4
71.01245	4.9
71.04897	1.5
78.95777	21.0
80.02540	2.3
81.03355	0.9
83.04883	1.0
93.03316	1.5
93.06975	2.8
95.04906	2.0
96.95882	1.3
97.06474	11.9
98.20570	1.7
106.04113	4.5
107.08539	2.1
107.52458	1.0
109.06421	1.8
111.08011	3.1
121.06477	13.3
123.08035	3.2
125.09607	16.2
127.11152	2.4
135.08057	10.7
137.09625	2.6
141.12762	1.1
149.09584	1.8
151.07587	1.0
151.11172	8.2
152.99443	3.0
153.09111	15.1
155.10687	3.1
163.11148	2.7
165.12759	10.1
167.10704	2.8
168.04210	2.0
169.12230	1.2
171.10182	59.5
172.10524	2.2
179.10748	5.0
181.12262	11.0
185.11757	51.5
186.12062	2.3
191.05556	1.3
191.10776	6.5
191.14265	3.0
197.11850	1.2
209.11777	48.9
210.12085	2.3
211.09605	1.8
211.13332	2.8
212.10448	5.6
224.06868	6.2
227.12798	2.2
241.04935	1.5
242.08081	1.7
245.19115	11.5
261.18500	6.1
263.20148	12.4
271.17163	2.7
277.21710	62.1
278.22018	3.5
279.19662	8.8
285.04095	1.0
289.18112	20.2
307.19144	100.0
308.19534	5.9
502.29428	58.4
503.29996	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.3
59.65820	0.7
69.03307	0.8
69.95849	3.5
71.01247	3.3
73.02795	0.9
81.03328	1.5
84.02050	0.7
85.02824	1.9
89.02306	1.5
93.03274	1.4
96.95896	0.8
98.20470	1.3
99.04388	11.4
101.02314	10.8
101.42715	0.8
108.02122	0.8
113.02301	1.4
121.02853	3.6
122.03619	2.4
125.02335	14.1
135.04424	5.2
136.01563	61.3
137.02231	3.0
141.13184	0.9
151.03914	94.3
152.04254	3.4
159.04460	1.1
160.05197	0.8
161.02319	3.8
161.04474	2.9
163.03951	1.1
175.03951	1.2
175.07539	1.1
191.05524	2.4
261.13354	1.0
287.48441	0.8
311.12988	0.9
315.08890	1.0
342.11139	5.9
357.13422	100.0
358.13782	7.9
395.83139	0.8
477.13989	3.5
501.17728	2.2
519.18750	8.1
561.20215	1.6
825.27386	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.4
66.51064	1.1
67.01758	1.3
69.03320	1.3
69.69554	7.8
71.01248	1.7
71.04901	1.5
78.95768	9.0
80.02530	1.7
81.03337	5.4
83.01265	10.2
83.04897	3.8
95.04893	2.5
97.02843	3.3
97.06453	9.5
109.02804	1.3
112.37639	1.2
117.86148	1.2
121.06463	1.4
123.04406	6.9
123.08030	4.5
123.10129	1.1
125.09614	14.7
132.48438	1.0
135.08060	3.4
137.05980	1.3
137.09628	8.4
141.12704	1.6
142.02632	1.6
149.05928	1.7
151.11195	1.6
152.99504	1.7
161.09654	1.5
163.07504	1.8
163.11191	13.8
165.12738	3.7
167.10710	2.8
171.10170	1.5
175.11209	1.3
177.12769	1.8
179.10635	2.1
179.89096	1.1
181.12236	2.6
185.11729	12.9
187.92290	1.3
191.10690	3.4
191.14340	15.1
204.07809	1.2
207.10159	10.2
209.11765	76.6
210.12189	2.5
217.15944	2.3
225.11261	6.9
242.07919	2.6
245.19073	29.0
263.20154	2.6
271.17093	2.4
277.21713	100.0
278.22110	6.9
280.00595	1.2
289.18079	95.6
290.18445	5.6
307.19135	83.5
308.19495	4.6
474.26602	1.4
502.29391	37.6
503.29620	3.5
538.83447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.52
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	0.6
59.01238	1.8
69.03324	1.2
71.01246	2.1
71.34563	0.8
80.02538	3.8
83.04896	0.6
84.02061	1.1
95.04896	0.8
96.95854	0.5
97.06461	2.4
109.02843	0.5
111.08068	0.7
119.08534	0.7
123.08057	8.6
125.09617	9.9
127.11163	3.5
137.09616	7.7
139.11214	3.0
141.09099	0.9
141.12758	1.6
151.07571	2.3
151.11195	0.6
152.08336	0.7
153.09105	1.7
155.10683	28.0
156.11017	1.0
157.12216	0.8
165.12727	0.5
167.10707	2.9
169.08630	0.6
169.12347	0.6
171.10182	60.4
172.10544	2.6
183.10167	1.3
184.10899	0.6
185.11758	44.8
186.12108	1.4
187.11813	0.5
191.05557	0.8
193.15938	0.9
197.11775	0.5
209.11827	0.8
209.15401	2.0
211.13228	0.7
212.10486	2.0
247.20609	3.4
251.20023	1.2
253.09325	1.3
263.20129	4.9
265.18109	0.4
265.21713	2.5
273.18542	1.9
277.21790	8.3
278.22125	0.5
281.21222	7.7
282.21552	0.5
288.78281	0.5
291.19656	30.0
292.20035	2.5
307.19083	0.8
309.20697	100.0
310.17615	0.8
310.21021	6.7
346.32806	0.5
378.44177	0.6
769.77747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.5
66.00630	0.6
69.03337	1.2
71.01260	8.3
71.04812	0.6
71.59156	1.0
72.99168	0.7
73.02805	2.9
78.95770	0.8
83.01258	1.5
83.04903	1.1
85.02827	9.7
87.00745	2.0
87.24091	0.6
89.02296	5.4
92.42142	0.7
94.04810	0.6
95.01265	1.2
95.04926	0.9
96.95872	1.0
97.02838	1.9
97.06461	2.6
99.00748	0.8
101.02312	7.2
113.02348	4.5
117.07618	0.7
119.03397	1.4
125.02322	1.1
125.09622	1.0
127.11112	0.7
133.04938	1.2
137.09601	1.7
143.03398	0.9
145.04955	1.0
155.10643	1.8
159.00661	0.7
161.04457	2.9
167.14320	0.9
171.10190	18.6
177.12668	0.9
179.05525	1.4
183.13843	7.9
183.78818	0.6
185.11729	1.1
185.60725	0.7
186.16389	0.6
193.12248	1.0
195.13895	1.2
197.11780	0.7
209.11734	1.4
211.13347	15.7
221.11726	2.5
227.12903	0.9
229.14427	11.4
233.15382	0.8
235.08197	12.7
239.12843	2.1
251.16545	1.2
253.09261	25.9
254.09547	0.9
277.21725	100.0
278.22101	7.3
291.19641	8.0
292.19855	0.9
293.21280	0.9
309.20715	19.0
310.21042	1.7
327.21768	92.4
328.22067	6.0
357.82455	0.7
545.29810	3.1
563.30573	3.1
580.09839	0.8
587.43097	2.7
703.11273	0.8
823.52563	7.0
824.52667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.01250	8.0
71.59080	2.2
73.02843	1.4
75.56622	1.3
83.01261	1.8
85.02823	6.7
87.00758	1.7
89.02328	4.1
97.02853	2.5
97.06467	2.0
101.02323	6.2
113.02334	3.6
119.03377	2.0
125.02292	1.7
141.01608	54.9
145.05013	1.7
156.61507	1.4
161.04428	2.3
171.10211	4.0
183.13805	8.3
211.13338	5.0
227.58070	1.3
235.08134	10.8
246.54526	1.2
251.16513	1.5
253.09248	15.6
277.21725	65.3
278.22110	5.5
283.26416	6.6
291.19586	3.7
307.19135	1.8
309.20679	5.6
316.20203	1.3
327.21774	48.4
328.22083	2.7
365.26636	4.2
397.13492	11.6
398.13675	1.8
419.11517	2.5
437.12735	3.2
703.38501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	3.7
59.22018	0.9
59.83733	1.0
63.21786	0.9
69.03319	1.4
69.31239	4.7
69.31663	4.4
70.56087	0.8
71.01276	0.9
83.04887	2.3
83.84194	0.9
90.90421	0.8
93.03340	1.1
95.04919	2.0
97.06476	2.8
107.17338	0.8
111.08017	6.5
113.09579	1.6
119.08574	2.2
121.10133	7.4
123.08017	1.4
125.09589	5.7
135.04474	0.9
135.08015	1.4
137.09607	3.1
139.11255	1.2
145.10255	0.9
149.09540	1.5
151.07584	1.0
151.11172	4.9
152.08342	1.2
163.11227	2.0
165.12802	4.5
167.10655	2.5
171.10193	9.9
177.12706	2.9
179.10670	3.2
181.12265	5.4
185.11768	10.3
191.10670	2.7
195.13892	6.1
197.11775	4.9
209.11769	22.5
209.15251	2.3
211.13292	2.8
223.13347	1.2
229.19440	1.4
236.50963	1.0
247.20692	6.7
265.22012	1.1
273.18542	5.8
275.20068	3.2
277.21710	7.0
291.19669	100.0
292.20129	6.4
309.11142	1.2
309.17032	3.6
309.20627	18.7
310.21198	2.2
462.62469	1.0
494.21606	0.9
550.34668	1.0
768.44128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
59.01250	7.6
61.98698	4.4
69.03316	0.8
71.01249	5.5
71.04880	1.6
71.37836	0.9
73.02802	0.7
74.15903	0.6
74.71525	0.5
75.58886	0.5
77.60989	0.5
78.95789	0.8
83.04892	1.3
85.02808	1.6
85.06470	0.9
87.00773	0.9
87.04374	0.6
89.02321	3.6
92.10274	0.5
95.01238	0.7
95.04959	0.7
96.95889	1.0
97.02852	0.9
97.06496	0.7
101.02331	5.2
101.51758	0.6
109.06463	2.0
111.04409	0.6
111.08063	0.9
113.02326	1.8
119.03379	1.1
141.01569	0.8
143.03304	1.1
152.99515	0.5
161.04456	2.9
167.10712	1.1
169.12268	0.6
171.10156	1.0
179.05489	0.7
179.14310	2.1
181.12326	0.9
195.13834	17.8
196.14305	0.9
197.11746	2.0
205.12260	1.9
211.13362	1.1
221.15419	4.9
223.13333	8.4
224.13870	0.6
228.13741	0.8
233.15443	0.8
235.08226	1.7
235.16924	0.9
239.16522	2.0
247.20650	1.2
253.09248	29.6
254.09605	1.3
255.67027	0.6
256.13046	0.7
273.18610	1.1
275.20132	5.1
276.20599	0.6
291.19653	22.2
292.19971	2.3
293.21213	100.0
294.21564	7.6
309.20697	77.2
310.21072	6.2
389.20398	0.6
529.30414	0.9
545.29749	1.8
585.41815	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	13.3
61.71440	3.0
61.98684	3.9
63.61564	2.8
70.02750	15.9
71.01260	6.8
73.02829	4.6
74.95011	2.8
78.95769	6.1
79.89400	2.5
80.96397	3.5
85.02837	3.2
89.02325	7.0
96.95893	39.1
101.02325	10.1
104.65858	2.6
109.06438	2.8
113.02345	4.7
121.06467	3.1
123.04393	5.0
123.08042	12.0
125.09631	6.9
139.11159	7.8
149.09596	3.1
151.11183	3.5
155.14223	3.1
171.10237	3.1
185.11731	4.4
197.11781	5.8
199.13327	25.8
201.11229	4.8
211.13339	6.2
213.11287	4.5
226.88782	3.3
226.91144	3.4
245.19116	8.1
253.09238	10.4
277.21707	77.9
278.22043	6.5
289.18103	70.4
290.18350	3.5
293.21326	6.5
307.19131	100.0
308.19540	8.4
309.20697	4.1
325.20169	8.2
382.12244	2.9
543.28094	19.2
561.29150	22.1
821.50629	87.2
822.51288	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	54.9
66.94680	0.4
71.01246	3.7
71.58471	0.4
73.02824	1.9
73.73259	0.3
81.03342	0.5
81.65549	0.4
83.01243	0.7
85.02819	2.5
87.00755	0.6
89.02296	0.8
89.62578	0.4
91.01775	0.7
93.03324	2.5
95.01250	0.4
95.04906	0.4
96.95846	0.4
99.00777	0.6
101.02317	2.7
108.02046	2.4
109.02838	67.3
110.03178	2.0
113.02324	1.6
119.04910	2.0
121.02826	1.9
123.00738	0.4
123.04421	2.2
125.02319	0.5
129.03357	2.2
131.04909	0.9
133.02878	0.8
135.04414	2.2
137.02362	2.2
145.02861	1.1
146.03636	1.8
147.04419	23.8
148.04745	1.2
149.02325	0.5
150.03062	1.8
151.03844	0.6
152.01038	0.7
153.01805	1.0
158.03661	4.4
159.04422	100.0
160.04752	4.8
161.04507	0.6
161.06000	0.5
163.03926	0.5
165.01799	1.8
165.05522	2.0
173.04523	0.9
175.03888	1.2
177.01753	0.4
179.03453	0.5
180.04202	0.8
191.03621	0.6
191.05530	5.2
193.04904	0.4
194.05800	0.5
195.06535	2.1
197.05931	0.4
210.05139	0.4
225.07484	0.8
241.05038	0.5
251.07195	0.8
252.07831	2.2
254.05763	0.5
267.06601	0.6
268.07288	1.2
269.08182	34.8
270.08496	3.4
313.07199	0.9
357.06009	4.4
358.06299	0.4
359.15161	0.9
359.19342	0.4
375.23990	3.2
389.16068	0.9
417.24921	1.3
567.22607	0.7
585.23828	0.6
841.53503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.8
59.01255	12.6
69.03331	1.5
71.01250	11.9
71.04875	1.3
72.99220	1.3
73.02801	3.5
81.03339	3.0
83.01228	1.3
85.02808	7.5
87.00756	2.5
89.02296	3.4
93.03334	8.6
95.01263	2.7
95.04940	1.6
96.95878	4.2
99.04350	1.2
101.02327	4.6
103.59550	1.3
108.02055	83.0
109.02847	34.6
110.03187	2.0
111.04353	1.6
113.02318	3.9
119.03439	1.5
121.02837	5.1
123.08055	4.8
125.09657	1.7
135.04416	27.6
135.08047	1.5
137.02390	6.4
150.06815	1.7
151.00232	2.4
151.03815	1.4
152.01064	71.4
153.01843	26.1
157.08601	1.5
159.04398	1.7
163.03821	2.0
163.07568	1.3
165.12590	1.5
171.10173	5.1
173.04507	1.7
175.02379	1.5
175.07573	1.8
176.32303	1.4
177.01831	3.5
179.05492	1.5
179.10716	1.4
191.05530	14.6
193.08611	4.1
199.09651	2.0
201.11349	3.0
209.11731	4.1
213.11371	1.9
227.12775	2.0
229.66866	1.4
267.24173	1.2
299.01907	2.0
305.17529	2.3
313.23645	1.4
315.12296	4.7
323.18558	5.0
341.10934	3.2
341.19693	22.2
341.26727	2.6
342.19940	1.4
359.28049	8.4
477.17804	9.0
513.78143	1.4
521.33252	10.9
588.55280	1.4
647.20636	1.4
657.41101	1.6
819.40247	100.0
820.40509	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	2.5
67.01747	3.4
69.68559	6.0
71.01243	3.8
71.96510	1.1
72.02882	1.1
79.29530	1.0
81.03291	1.6
85.02820	8.0
87.00761	2.7
93.02760	1.9
93.03336	24.5
94.03701	1.1
98.20553	1.6
107.04919	1.9
109.02812	2.0
111.04391	4.4
125.02331	4.7
133.02806	2.0
134.03604	3.7
135.04413	65.9
136.04752	1.7
137.02390	5.6
151.00267	1.8
153.01799	1.3
155.03406	4.0
161.02354	3.8
167.51094	1.0
173.04471	100.0
174.04794	5.0
177.01840	2.0
179.03421	61.5
180.03712	3.1
191.05547	52.0
191.06920	0.7
191.07365	1.6
192.05864	2.4
292.34714	1.1
303.05121	10.3
309.13641	1.2
353.08749	70.6
354.09100	5.8
465.10199	1.3
508.68219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01597	1.1
61.98710	4.6
64.88093	0.4
69.03326	0.6
70.15100	1.5
71.01256	2.8
73.02826	0.5
78.95791	0.6
80.96400	0.6
81.03338	0.5
85.02818	0.7
87.00771	0.6
89.02321	1.7
93.71178	0.4
95.01285	0.8
95.15749	0.4
96.99216	1.5
97.02839	1.6
101.02329	2.0
101.88133	0.4
113.02343	1.1
119.03439	0.6
125.02350	1.1
137.96434	0.4
141.01601	56.5
142.01956	0.8
161.04430	0.7
162.70961	0.5
179.05539	0.5
181.94753	0.4
227.94283	0.4
235.08211	1.3
243.04811	0.5
277.21759	6.4
278.21835	0.5
359.22070	3.9
397.13452	13.2
398.13654	0.9
415.14719	2.2
419.11606	2.0
437.12772	5.1
645.51324	0.4
697.34009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.3
58.00452	0.8
59.01250	29.3
65.03831	0.9
67.01764	0.8
69.03331	1.2
69.81327	4.4
71.01254	16.8
72.99168	1.5
73.02821	4.4
81.03308	1.2
83.01245	3.0
83.04918	1.5
85.02819	8.6
87.00734	2.7
89.02312	7.5
93.03335	56.1
94.03686	2.3
95.01247	3.5
96.92985	0.7
96.95879	3.2
97.02850	0.9
99.00748	1.2
101.02324	8.6
105.05606	0.9
108.02056	50.9
109.02847	24.1
110.03168	1.0
111.00788	1.2
111.04394	2.4
113.02324	9.2
119.03403	2.6
119.04929	1.2
121.02849	2.0
123.00806	1.9
123.04447	0.9
124.01456	1.0
125.02316	2.2
125.09612	1.3
131.03383	0.9
133.02927	0.9
134.03685	0.9
135.04393	4.7
137.02345	100.0
137.43137	0.8
138.02675	3.7
143.03415	0.8
145.23889	0.8
149.02312	1.0
150.03044	1.1
150.05652	0.9
150.06793	2.8
151.03879	1.8
152.01060	48.7
153.01845	19.5
154.02202	1.0
161.02354	1.2
161.04433	3.3
161.05728	0.8
163.03899	2.5
163.07465	1.5
165.05455	0.9
167.07050	2.2
171.10211	1.7
173.04472	1.9
175.02443	1.5
177.08960	1.1
179.05582	1.4
179.10645	1.7
183.13809	3.4
184.30368	0.8
189.01837	0.9
191.05533	9.5
195.06631	1.4
209.11810	7.5
211.13293	1.2
301.16629	1.3
311.22125	1.4
339.24954	1.0
357.26404	5.6
397.13385	2.4
415.14594	0.9
468.51120	1.2
477.17853	2.1
478.32571	0.9
492.34827	1.4
493.35400	6.7
519.31750	7.7
535.31158	1.1
609.32623	1.5
627.33881	5.2
635.00171	0.9
645.34821	2.8
655.40991	3.1
687.36560	1.3
817.38678	61.3
818.39227	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01597	1.6
60.75417	0.6
61.98706	1.8
70.86945	0.8
70.87299	1.0
71.01237	2.9
72.15520	0.5
73.02804	0.5
85.02842	1.0
87.00767	0.6
89.02341	1.7
96.95866	0.5
97.02856	0.5
99.04375	0.5
101.02338	1.5
105.40520	0.6
105.95203	0.5
109.27978	0.5
113.02341	1.6
119.03365	0.8
125.02289	1.0
141.01593	55.6
142.01930	1.4
235.08240	0.9
277.21689	5.3
359.21844	4.5
360.22559	0.7
397.13583	10.1
398.13986	1.0
415.14600	2.4
419.11630	3.4
420.12167	0.5
437.12793	4.1
697.34613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08967	0.7
59.01251	100.0
61.98707	2.8
70.69659	0.8
71.01262	2.9
71.57561	1.2
80.96393	3.3
82.95970	0.8
85.02855	1.4
87.00776	0.9
89.02333	2.5
95.01272	1.2
96.99197	4.4
97.02828	1.8
101.02319	1.7
105.40735	0.7
113.02383	1.1
113.85245	0.7
125.02391	1.3
140.98201	1.2
141.01604	57.0
142.01959	0.9
172.37781	0.9
198.16812	0.8
235.08324	1.3
277.21738	7.1
297.80215	0.8
305.01312	0.7
305.08823	0.7
359.21912	5.5
397.13550	14.0
415.14658	3.2
419.11810	2.9
437.12732	4.8
488.13528	0.8
533.63251	0.8
585.66675	0.8
665.12189	0.9
697.34326	1.6
828.33636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	0.9
61.98699	4.2
62.26783	0.6
65.31716	0.7
69.03330	0.9
71.01263	2.1
82.18355	0.7
89.02340	1.7
89.19624	0.6
89.43575	0.8
96.99211	2.8
97.02850	2.6
101.02344	1.9
113.02390	1.1
123.52306	0.7
124.30495	0.7
125.02367	1.4
141.01604	52.9
142.01961	1.3
142.05040	1.2
161.04448	0.9
235.08336	0.8
277.21677	5.2
337.07614	0.6
359.22159	4.4
360.22372	0.7
397.13467	9.2
415.14838	2.6
419.11896	2.8
437.12552	3.9
514.49438	0.9
588.31921	0.8
600.81641	0.8
679.45276	0.8
697.34424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.2
65.03833	4.3
67.01762	10.5
70.79867	1.2
71.01250	1.3
73.62626	0.9
85.02837	1.5
90.96903	1.0
91.01778	4.1
91.05405	5.7
93.03349	5.6
96.95878	1.1
108.01985	1.0
109.02841	33.9
117.03358	1.8
119.01345	1.1
121.02837	3.8
122.03576	1.6
123.04404	4.2
133.02861	1.4
135.00810	7.7
135.04420	55.1
136.04784	1.7
137.02347	100.0
138.02682	2.1
143.04961	1.2
145.02827	1.7
149.02357	1.0
151.03893	1.2
153.01862	5.8
153.05475	8.7
156.05699	1.2
157.06442	2.0
158.03709	1.5
159.04414	10.8
161.02353	3.5
161.06007	2.3
163.00278	6.1
163.03906	1.1
167.04919	1.1
173.05948	1.5
175.03957	2.3
175.07513	5.6
177.05495	8.5
179.03433	3.5
183.04440	1.6
185.05960	3.7
187.03940	10.9
191.05493	3.2
195.06572	6.2
195.08069	1.1
197.04480	1.2
201.05452	3.6
209.11755	4.2
211.03969	10.7
225.05531	6.5
227.03506	1.9
227.07109	15.9
229.05028	13.1
232.36063	1.0
235.04025	1.1
237.05566	2.9
251.06961	2.1
253.05095	1.9
253.08815	1.5
273.04050	19.5
277.08615	1.4
279.06610	2.3
281.04520	2.2
284.85757	1.2
293.08081	2.6
295.09775	1.8
301.08585	2.4
303.10388	5.0
307.09647	1.4
317.08194	2.2
319.09668	3.4
325.03174	1.2
329.08102	2.3
331.06070	2.5
335.09283	1.9
345.07648	3.7
347.09232	16.6
348.09650	1.6
361.07385	1.2
363.08563	1.7
370.11636	1.1
373.07257	1.7
381.13733	2.2
391.08191	14.4
397.13449	2.5
405.88412	1.2
461.09366	1.3
468.08160	1.2
481.89630	1.1
483.10461	1.4
499.13858	3.8
501.11948	51.3
502.12164	3.8
517.15222	2.0
527.13397	1.9
545.14581	7.0
637.17383	8.1
655.18176	86.7
656.18500	11.6
661.18732	1.8
663.17249	1.5
679.20398	1.4
799.21783	2.7
817.23450	5.5
818.23718	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.7
60.06976	1.1
69.47908	9.8
71.01248	5.7
73.02819	4.2
83.01281	2.4
85.02779	1.4
89.02319	1.7
93.03352	2.4
101.02324	6.2
109.02842	2.0
113.02337	2.2
119.03476	1.8
137.02353	1.8
153.01866	2.0
173.04436	2.5
183.23201	1.2
189.05527	1.4
191.05540	9.3
208.03552	1.1
215.78922	1.1
219.50122	1.0
223.06157	1.6
227.03461	30.5
229.04973	1.4
255.02992	39.7
256.03610	6.1
271.02573	1.6
284.03265	51.6
285.03998	20.0
297.09338	1.2
300.02710	3.2
301.03415	3.0
327.05121	1.4
447.09317	100.0
448.09738	9.4
454.13196	1.3
469.57758	1.3
524.30048	1.3
588.32263	1.1
817.31409	2.9
818.31586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.4
63.60719	4.1
64.88025	3.8
71.01259	8.7
78.95776	76.6
83.04923	6.0
95.74644	4.0
96.96853	13.8
107.44563	4.6
152.99501	17.1
171.10165	44.3
176.04828	4.8
209.11766	100.0
210.12256	4.5
222.99988	6.3
225.11176	5.3
227.12805	10.5
229.33072	4.8
241.01183	28.2
253.09239	6.0
255.23314	34.8
261.21902	5.8
269.44180	4.1
277.21747	71.7
278.21994	4.9
283.98788	5.3
518.31744	4.6
555.25250	4.4
725.38989	25.1
797.40900	27.0
815.43622	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	24.4
62.14092	3.8
65.06613	4.5
65.58712	4.0
69.47817	33.4
71.01245	8.2
78.98473	9.2
79.95589	19.9
80.96394	100.0
94.97958	17.7
122.97465	7.3
125.02357	4.2
125.21037	4.3
141.01593	13.0
142.78163	4.0
148.99010	10.2
152.98566	12.6
155.27132	4.5
164.98555	13.5
225.00667	22.4
284.76373	4.4
305.02191	5.6
815.49811	81.7
816.50018	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.9
59.01247	2.3
59.28677	0.2
62.99670	0.3
66.70588	0.2
69.03316	2.4
70.61559	0.2
71.01244	1.2
73.02817	0.4
75.00690	0.3
83.04896	0.3
84.02036	0.4
85.02822	10.3
89.02326	0.6
91.05404	1.7
93.03320	0.8
96.95873	0.4
97.02835	1.2
97.06465	0.9
98.20568	0.6
100.08353	0.2
101.02322	0.6
107.04919	0.5
108.02033	0.7
109.02836	2.0
109.06429	0.3
111.04321	0.4
113.02342	0.4
117.60777	0.3
119.08508	0.4
121.02846	5.5
122.03647	0.4
123.08070	0.3
125.09611	1.0
127.11170	0.9
134.03606	1.6
135.04416	13.8
136.04739	0.3
137.02364	0.6
137.09604	3.2
147.04422	2.6
148.05162	1.0
152.01067	0.5
153.01913	0.5
155.10741	0.4
159.04422	0.3
161.02350	0.3
165.12717	0.5
171.10178	32.7
172.10530	0.9
177.09135	2.2
183.13850	1.0
185.11751	0.4
189.09117	5.0
190.09369	0.3
191.05519	1.1
193.12141	0.3
201.11292	2.0
203.10703	12.2
204.11174	0.5
207.10179	0.3
209.11751	0.8
211.13341	5.5
212.13629	0.3
215.10713	0.9
221.11800	1.1
229.14392	3.7
230.14813	0.4
239.12866	0.8
255.03101	0.3
285.03806	0.4
291.19586	1.7
303.68500	0.3
309.20834	0.3
325.14423	6.7
326.14731	0.6
327.21753	100.0
328.22089	7.3
487.19678	5.6
488.19983	0.5
531.86292	0.3
541.79163	0.3
815.37134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.4
70.93935	1.9
71.01251	2.3
76.67117	1.4
85.02812	9.5
87.00738	2.7
93.03329	8.9
95.57705	1.6
96.83074	1.9
109.02853	3.7
118.65052	1.6
121.02856	7.1
124.23589	1.6
127.03923	2.4
129.86478	1.6
135.04431	1.8
148.01532	5.1
151.99062	1.9
158.46243	1.8
169.49028	1.6
179.03419	1.8
180.86934	1.5
186.17229	1.9
191.05548	41.1
199.03943	3.5
201.01871	2.0
206.08142	2.5
211.03960	5.6
213.05533	2.3
223.03972	21.2
224.04556	3.0
235.03957	4.3
239.03461	17.7
240.04291	4.0
241.05057	3.0
251.03439	5.1
252.04150	1.8
253.05130	2.0
255.02957	1.9
266.02145	11.0
267.02966	38.8
268.03412	2.7
269.04437	2.2
279.03046	11.9
280.03766	6.5
285.03876	3.0
295.02457	7.1
315.06604	2.7
324.02707	2.2
331.06012	3.1
341.04605	2.1
343.06027	3.9
359.05472	7.2
370.04761	2.9
371.05801	8.1
387.05261	9.8
388.05698	6.9
389.06412	1.8
416.05383	83.3
417.06018	48.3
418.06586	4.6
434.06454	9.8
435.06815	4.7
460.04510	1.9
461.04651	3.1
526.75568	1.7
547.27069	1.6
579.11450	100.0
580.11493	10.9
597.12476	13.5
604.13458	2.4
623.10419	9.2
653.11377	3.9
815.16846	22.7
816.16974	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.9
59.01247	9.3
67.01750	0.7
71.01252	3.8
71.58525	1.2
73.02828	1.9
83.01279	1.1
85.02822	10.7
87.00761	2.4
89.02315	1.4
93.03352	6.7
99.04416	0.9
101.02332	2.4
108.02061	1.4
109.02862	3.5
111.00771	0.9
111.04379	1.7
113.02364	1.1
121.02848	6.2
127.03914	1.5
133.02834	1.3
135.04396	2.5
137.02362	1.5
139.03900	1.3
146.03641	6.4
147.04042	1.2
148.01556	4.2
149.02376	1.4
149.04546	0.9
151.00279	0.9
152.01068	1.3
152.13387	0.8
153.01888	1.2
159.04387	0.8
161.02333	1.9
161.04683	1.2
161.05904	4.1
162.06363	1.2
163.03915	0.9
165.05446	0.8
167.03395	1.3
171.04491	1.5
173.04471	3.1
179.07060	6.9
180.07468	2.7
181.08640	0.9
190.02625	0.8
191.05551	37.7
192.05820	1.6
193.04884	1.3
195.04482	1.7
199.03918	2.2
201.01836	1.1
211.03966	4.2
213.05545	1.6
216.19890	0.7
222.03218	1.0
223.03964	14.6
224.04582	1.7
225.05487	1.3
227.03369	1.8
228.04027	1.1
235.03969	2.4
238.02785	2.0
239.03485	12.4
240.04086	3.6
241.05058	3.3
242.05679	0.8
243.02936	1.3
251.03526	3.2
252.04269	1.4
253.05194	1.1
255.03004	2.2
255.99969	1.2
266.02280	5.9
267.02975	26.9
268.03500	1.7
269.04575	3.5
279.02917	6.5
280.03757	3.6
283.02335	1.2
284.03104	0.8
285.04068	2.8
295.02548	4.7
295.05408	0.8
297.04050	1.0
299.07037	1.2
301.05209	1.0
303.06766	1.4
309.03995	1.2
311.02103	1.5
315.06494	2.2
318.05563	0.8
324.02615	1.2
325.03772	1.0
327.06522	1.3
331.06161	1.3
342.05399	1.3
343.05975	4.8
344.06882	1.1
347.05859	1.6
353.04675	1.1
353.08969	0.9
359.05627	5.6
360.06155	1.2
370.04660	1.6
371.05475	5.1
372.06195	1.3
387.05109	6.9
388.06000	4.6
389.06876	1.4
404.04947	1.0
416.05396	53.4
417.06104	30.7
418.06638	1.8
419.04037	1.2
434.06375	9.3
435.07104	6.5
436.07959	0.9
460.04364	2.0
460.93164	1.0
461.05255	4.5
489.94028	0.8
579.11450	100.0
580.11786	12.5
597.12512	18.4
598.13147	2.7
623.10492	11.4
624.11188	0.9
653.11487	4.4
815.16791	19.8
816.17102	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	28.7
59.09380	1.1
63.02262	3.5
65.00181	3.5
69.30155	2.3
69.30487	13.8
71.01257	6.1
73.02819	2.5
83.01250	2.4
85.02836	5.9
87.00740	2.1
89.02327	3.7
93.03335	2.9
101.02340	1.9
107.01270	4.7
109.02828	3.4
113.02319	2.7
124.01501	2.1
125.02291	2.2
133.02847	1.9
135.04356	1.7
151.00279	23.8
152.01039	1.8
169.01311	3.2
173.04507	2.3
178.98228	2.1
178.99777	34.0
184.73869	1.1
191.05539	30.5
201.01880	1.8
205.12297	1.5
211.03841	1.5
223.03827	1.6
224.04524	1.2
226.75671	1.2
235.03957	2.6
239.03355	2.5
241.01332	2.6
243.02826	1.5
251.03453	4.6
252.04286	7.6
253.04991	4.5
255.02911	2.7
263.03537	2.7
271.02359	6.3
279.02979	15.1
280.03745	12.8
281.04553	19.7
282.04770	1.5
295.02307	1.9
299.01987	11.0
300.02271	1.3
307.02505	14.2
308.03082	4.0
309.03998	5.3
311.01953	2.4
334.01328	1.7
335.01913	2.0
341.10727	1.8
345.78516	1.5
351.01459	5.0
351.06921	1.7
353.08606	1.6
371.05704	1.3
429.21356	2.2
443.03989	3.0
461.05283	44.1
462.06021	4.5
506.49692	1.5
623.10425	100.0
624.10736	15.0
758.56268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01254	57.0
60.82425	0.7
69.03313	0.7
69.41001	1.1
69.41409	5.0
71.01258	16.1
73.02820	14.3
81.03333	0.8
83.01280	4.3
84.90667	0.6
85.02829	4.5
89.02319	5.3
93.03310	1.2
95.01270	1.2
96.95891	0.6
98.20587	1.2
101.02328	17.6
107.38185	0.6
108.02064	1.8
109.02840	66.3
110.03203	0.9
113.02341	9.5
115.05431	0.6
119.03400	2.8
119.04920	1.7
121.02827	1.8
123.04416	1.7
129.03372	2.0
130.04189	0.6
131.03403	2.2
131.04889	1.0
133.02876	0.7
134.32527	0.6
135.04451	3.0
136.66399	0.7
137.02383	0.7
137.09628	2.9
138.45000	0.6
143.03395	2.3
145.02913	1.0
146.03636	1.8
147.04428	21.7
149.04413	3.0
153.01810	1.0
158.03630	2.9
159.04428	100.0
160.04770	4.1
161.04520	6.1
161.05843	1.1
173.04591	0.7
175.03960	1.2
177.01839	1.3
179.05670	0.7
185.05600	0.7
189.12723	0.8
191.05560	1.7
203.05484	1.0
221.06604	1.3
251.07123	1.2
252.07968	1.7
267.06656	0.9
268.07532	1.1
269.08191	37.8
270.08652	1.7
313.07175	1.2
357.06216	2.8
503.82019	0.7
696.02753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
69.48454	2.1
78.95776	10.5
83.04874	0.4
86.90513	0.3
93.06976	0.9
96.96903	0.2
97.06484	1.9
98.19875	0.5
119.15132	0.2
121.10116	9.7
122.10444	0.6
123.08063	1.1
125.09607	6.7
141.12755	1.2
147.08058	0.9
152.99500	1.3
165.12804	0.3
168.04221	1.5
171.10187	0.3
185.11746	12.6
197.11789	3.4
209.11803	1.1
211.13351	1.8
216.24968	0.3
223.13310	1.0
224.06882	3.3
242.07985	0.8
247.13322	0.6
247.20589	0.9
252.17880	0.3
273.18585	0.9
279.23285	39.1
280.23602	3.8
289.17996	0.3
291.19656	100.0
292.19998	8.4
295.22653	0.5
333.36877	0.3
340.26511	0.3
504.30951	27.2
505.31339	3.3
751.44910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01254	48.9
60.01590	0.6
69.03344	0.5
71.01257	12.4
72.99191	0.6
73.02821	12.0
81.03332	0.4
83.01260	3.6
85.02823	3.5
87.00764	1.0
89.02328	3.8
90.71723	0.3
93.03349	1.3
95.01281	1.3
96.95901	0.5
99.00871	0.3
101.02328	12.4
103.05435	0.5
108.02073	1.4
109.02842	63.3
110.03185	1.5
113.02339	8.5
115.05454	0.6
119.03424	1.5
119.04939	1.9
121.02830	1.7
123.04379	1.8
123.83707	0.4
125.02338	0.7
129.03389	2.0
130.04123	0.5
131.03413	1.4
131.04945	1.4
135.04416	1.7
137.02335	0.8
137.09654	0.6
140.21577	0.4
143.03392	1.6
145.02852	0.5
146.03625	1.8
147.04431	23.0
148.04794	1.2
149.04482	2.7
153.01823	1.0
155.03348	0.4
158.03642	2.8
159.04431	100.0
160.04793	3.7
161.02405	0.4
161.04472	5.0
161.05861	0.5
173.04543	0.5
175.03943	0.9
177.01881	0.8
189.05280	0.4
191.05493	1.7
203.05498	0.5
211.07578	0.5
221.06555	1.6
241.04961	0.4
251.07077	0.6
252.07947	1.9
253.05151	0.3
267.06610	0.8
268.07230	1.1
269.08188	36.6
270.08395	1.9
284.03003	0.4
285.03998	0.4
308.79391	0.3
357.06229	3.8
411.20212	0.6
740.27911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.0
61.98677	0.3
69.03322	0.3
69.21799	0.2
69.87321	0.9
69.87763	1.1
71.01262	2.9
73.02802	0.4
79.49579	0.3
83.01237	0.5
85.02813	0.7
87.00748	0.3
88.98696	0.4
89.02319	1.9
89.99796	0.3
101.02343	1.9
111.08057	0.5
113.02316	1.1
119.03392	0.7
143.03456	0.4
152.10379	0.3
161.04475	1.2
179.05466	0.5
179.14410	0.7
181.12228	0.4
183.13766	0.7
195.13858	9.0
196.14275	0.3
205.12126	0.6
211.13332	0.5
223.13335	6.4
224.13879	0.5
228.13646	0.5
235.08255	0.6
249.11034	3.5
253.09244	14.7
256.13104	1.2
265.21735	0.7
267.12167	0.6
275.20148	5.8
276.20584	0.4
277.21701	0.7
291.19891	0.4
293.21216	100.0
294.21564	6.0
309.20654	0.5
492.21570	0.4
529.30298	0.6
538.87830	0.3
569.41980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
59.01253	0.7
69.95013	1.4
69.95431	0.6
70.86266	0.4
71.01268	0.4
73.00894	0.3
80.74593	0.3
80.96365	0.5
93.06990	0.6
97.06455	0.6
98.01701	0.3
102.97681	0.4
107.08537	2.7
111.26826	0.3
121.10125	4.2
123.08073	0.5
125.02335	0.3
125.09630	3.0
139.11185	1.8
141.12747	0.5
158.74614	0.4
165.12799	0.4
183.10252	0.5
185.11768	7.0
197.11815	1.8
199.13319	1.7
209.11810	0.5
211.13368	0.9
223.13383	0.8
247.13286	0.5
247.20612	0.8
253.09192	1.5
273.18631	1.0
277.21744	9.6
278.22092	0.8
289.18100	0.6
290.76532	0.3
291.19666	100.0
292.19998	7.7
627.25598	0.4
680.23938	0.4
731.36517	0.4
805.39233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.3
57.06801	0.2
59.01236	0.3
67.05391	0.3
69.03328	0.2
83.04911	0.4
93.06988	0.6
95.04907	0.3
97.06468	1.5
98.20557	0.7
101.02316	0.4
119.08508	0.2
121.09283	0.5
121.10123	8.5
122.10436	0.4
123.08035	0.9
125.09611	5.8
141.12761	0.9
147.08054	0.4
163.11208	0.3
176.12508	0.2
185.11755	11.3
186.12120	0.5
193.15945	0.3
197.11784	2.6
209.11771	1.3
211.13339	1.5
223.13322	0.8
231.98750	0.2
247.13275	0.5
247.20605	0.9
253.09344	0.8
273.18521	1.0
277.21744	5.7
278.22073	0.5
291.19656	100.0
292.20013	8.5
449.24573	0.2
500.55014	0.3
565.02051	0.3
714.80621	0.2
774.91211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19611	0.6
57.49924	0.6
59.01245	3.4
67.01751	0.9
71.01247	1.1
85.02835	0.8
87.00774	1.0
88.35526	0.8
93.03348	1.5
107.04910	0.7
108.02053	2.0
109.02843	5.9
113.02338	0.9
121.02842	1.3
123.00755	1.9
129.93675	0.7
135.04430	2.6
136.01540	2.0
137.02339	25.2
139.03896	1.5
145.72787	0.7
147.04410	0.9
149.02325	1.5
149.06020	0.7
150.03105	2.6
151.00267	11.1
151.03912	4.5
152.01054	3.3
152.04662	2.5
153.01831	1.7
162.03084	0.9
163.03914	1.6
164.01085	2.0
165.01846	100.0
165.05522	2.9
166.02625	32.5
167.03349	3.1
173.04468	1.1
175.03938	1.8
176.01042	1.2
177.01813	2.9
177.05521	2.3
178.02617	1.6
179.03423	22.2
180.04196	56.6
181.04980	35.2
182.05334	1.1
184.03722	1.8
187.03960	2.0
190.02722	0.8
190.06274	1.3
191.03436	2.3
191.05536	4.9
192.04094	1.0
193.05029	1.4
194.05786	4.5
195.02873	3.1
195.06563	73.6
196.06911	3.0
205.04945	5.6
207.06622	1.9
210.05309	11.0
211.05757	0.8
220.07384	4.2
225.07637	63.1
226.07921	3.6
345.09988	1.3
359.11252	2.3
363.34332	0.7
371.11395	0.9
372.11978	1.7
381.39380	0.7
387.10266	7.0
387.15182	5.0
388.15082	0.9
390.69482	0.8
402.13254	3.4
403.13770	1.7
416.14703	2.1
417.15540	49.5
418.15805	4.9
565.17761	2.3
580.19501	1.4
595.21820	49.7
596.22278	6.7
618.59143	0.7
643.23993	16.5
644.24182	2.8
805.35223	1.0
817.39630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17163	0.4
59.01250	2.0
67.01768	0.8
69.33925	4.5
69.34336	0.8
71.01260	1.2
73.02822	0.6
82.05035	0.6
82.77817	0.4
85.02824	0.9
89.02322	1.2
90.92619	0.5
95.73096	0.5
96.95917	0.6
101.02367	1.1
108.02075	0.6
109.02850	1.8
113.08312	0.5
121.02841	0.6
123.00751	1.0
124.01565	0.5
125.02371	0.6
135.04399	0.7
136.01584	0.7
137.02347	15.5
138.02679	0.6
149.02385	0.5
150.03156	0.6
151.00296	4.7
151.03940	1.5
152.01089	0.7
152.04727	0.6
163.03922	0.8
165.01852	82.6
166.02652	12.5
167.03241	1.0
177.01888	1.6
179.03447	11.0
180.04213	51.9
181.04984	14.7
182.05441	0.6
191.05565	2.2
192.04202	0.7
193.04909	0.6
194.05795	2.3
195.02980	2.9
195.06573	71.5
196.06892	3.3
205.05057	1.6
207.06531	1.2
210.05276	12.2
225.07643	100.0
226.07991	5.4
318.18832	0.6
372.11969	1.0
387.10648	2.1
387.14896	5.0
388.14871	0.7
402.13205	1.7
403.13437	0.9
417.15521	23.3
418.15982	2.4
595.21936	3.6
596.21741	0.7
643.24030	10.3
644.24200	2.0
711.01312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	76.4
60.01604	6.6
71.01246	13.2
74.66228	5.9
85.02836	6.3
92.47495	6.4
93.03337	53.9
96.95895	12.3
102.30750	6.6
109.02793	11.5
111.04415	6.3
117.88134	6.8
121.02876	12.1
135.04414	32.3
137.02357	59.7
147.04604	6.3
171.10165	9.8
173.04533	6.9
191.05528	16.2
191.07091	8.6
211.13356	7.7
227.06966	10.1
229.14423	8.5
281.06659	19.5
299.01953	7.2
300.67401	6.9
313.10736	6.7
327.21802	100.0
592.51788	7.3
605.35352	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
59.01248	10.6
67.69910	0.4
69.03320	1.4
71.01256	9.7
72.99157	0.8
73.02817	1.8
78.66754	0.4
78.95818	0.5
81.03307	0.7
81.31815	0.5
83.01251	0.8
85.02807	2.2
87.00756	2.5
87.04537	0.5
89.02314	7.7
93.03326	1.1
95.01247	0.7
96.65437	0.5
96.95879	2.1
97.02824	1.3
101.02324	7.7
109.02805	0.9
113.02319	4.5
113.50524	0.4
119.03391	2.2
125.02343	3.3
131.03383	0.6
135.04399	1.7
137.02299	0.5
143.03438	1.1
161.04451	2.1
166.14423	0.4
173.04614	0.5
179.05586	2.8
183.13818	6.5
191.05566	1.9
193.12309	2.3
209.11798	0.9
211.13335	100.0
212.13705	4.2
213.69765	0.4
221.06589	1.1
235.03831	0.5
235.08194	2.9
253.09322	0.5
259.08310	0.6
287.07657	0.9
305.08624	0.9
323.09656	0.5
379.12405	4.2
397.13477	20.0
398.13718	1.1
415.14551	4.5
548.81842	0.5
548.90582	0.6
591.26587	2.1
599.22296	1.1
609.27356	3.4
785.39899	0.9
803.27234	0.9
803.41852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
59.01251	100.0
60.01592	1.1
69.92529	1.2
69.92939	0.9
71.01255	8.9
72.99178	0.4
73.02823	4.1
73.73165	0.4
83.01268	1.4
85.02830	5.4
87.00750	0.8
89.02293	0.6
93.03324	1.0
95.01276	0.9
99.00778	1.6
100.84496	0.4
101.02322	8.0
103.28712	0.3
109.02911	0.5
113.02319	4.3
113.02928	0.4
125.02361	0.4
135.04427	0.9
137.02420	0.5
143.03455	0.4
159.02997	0.6
161.02350	0.5
161.04472	3.6
173.04500	0.7
191.05521	3.9
201.80794	0.4
211.07602	0.5
213.05511	0.9
254.05913	1.2
255.06606	8.0
266.05685	0.4
267.06625	9.3
268.07120	0.7
269.10300	10.3
270.10669	0.7
285.07675	23.6
286.07980	2.1
300.30865	0.4
311.11343	3.3
378.42221	0.4
387.22443	0.5
401.18127	0.8
418.03131	0.4
553.33411	0.4
803.23505	0.7
832.64197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	2.3
71.58962	1.5
75.00734	8.5
77.55527	1.1
78.95776	62.3
78.98468	1.5
79.95596	2.8
80.96393	16.5
81.03353	1.1
83.04892	2.8
94.97958	4.5
96.96835	15.3
109.06444	1.1
116.92728	1.2
125.09605	2.5
127.11182	4.5
134.97427	1.5
134.98386	1.3
137.09586	1.4
148.99101	1.2
152.98505	1.4
152.99504	13.5
155.10692	1.7
159.64665	1.0
160.71979	1.1
163.11153	2.2
164.98480	2.4
165.09119	1.7
165.12769	1.2
171.10168	2.4
183.10204	1.1
191.05394	1.0
199.09695	1.2
201.11256	46.6
202.11636	1.6
209.11780	36.3
210.12115	1.8
223.00058	3.2
225.00653	4.2
227.12851	3.9
241.01154	33.0
245.13863	2.5
255.23271	34.2
256.23688	1.2
259.02240	2.0
272.30933	1.1
277.21771	2.5
286.70996	1.1
381.13049	1.6
709.38275	3.1
755.40863	1.9
781.41150	11.0
782.41364	1.8
799.42383	100.0
800.42816	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44616	1.1
59.01256	10.8
61.45269	1.1
66.54533	1.1
67.98829	1.0
71.01271	2.6
73.02796	1.6
76.23822	1.0
81.03300	1.2
81.28310	1.1
81.32957	1.0
82.48192	1.0
85.02826	12.9
87.00757	4.0
93.03326	10.2
93.03742	1.0
96.95872	1.2
101.02309	1.5
103.93900	1.0
108.02067	1.1
109.02856	1.8
111.04403	1.7
113.02379	1.2
127.03915	2.0
129.02887	1.0
132.02092	1.6
133.02893	1.6
135.04434	1.7
137.02299	2.1
143.30887	1.1
155.03389	1.4
161.02432	1.5
163.03810	1.5
171.02815	1.1
173.04483	6.2
179.03612	1.6
191.05539	64.3
198.03159	1.6
199.03912	1.6
201.01714	1.2
207.04349	1.1
211.04010	2.8
223.03964	8.2
225.05444	1.2
235.04019	4.5
239.03471	4.5
241.05096	3.8
250.02872	1.8
251.03563	3.8
253.04962	1.1
255.02940	2.8
259.06195	1.2
266.02115	1.7
267.03043	6.3
269.04486	4.0
279.03067	4.7
280.03873	1.8
283.87503	1.1
285.04218	1.4
288.08044	1.6
295.02649	1.5
296.12897	1.0
297.04102	1.3
299.01913	1.6
299.07025	2.5
300.02530	1.7
300.07935	1.4
301.08344	1.3
303.06500	1.6
315.06677	7.3
316.07361	2.9
324.02698	1.7
327.06552	3.4
328.07343	4.3
329.08087	2.3
331.06155	1.2
332.06943	1.3
332.48007	1.2
343.06094	11.3
344.06784	5.6
345.07562	7.4
354.05142	1.3
355.06110	2.4
357.07568	1.3
359.05627	1.3
371.05545	6.2
372.06354	9.8
373.07175	6.7
399.98129	1.7
400.05872	50.6
401.06610	59.1
402.07028	7.2
409.79459	1.4
413.14484	1.3
418.06934	4.2
419.07623	7.3
445.05322	5.6
563.11932	100.0
564.12238	13.1
575.55377	1.3
581.13074	13.4
592.22046	1.3
607.10706	9.0
608.11090	1.5
637.12000	3.1
799.17767	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30832	1.6
63.96105	2.3
69.40198	3.1
69.40603	12.9
71.01256	12.2
73.02818	2.3
78.95764	3.4
78.98457	5.5
79.95609	19.3
80.96393	100.0
81.03285	1.6
85.02797	3.7
87.00757	2.8
89.09689	1.8
94.97959	21.2
100.50124	2.1
106.97960	2.9
122.97433	3.2
125.02330	3.0
134.97478	5.6
136.98959	1.7
138.88174	1.7
148.99011	6.4
152.98503	9.6
164.98561	15.1
167.26053	1.5
174.84908	1.6
206.99667	2.4
211.13307	2.1
225.00664	24.8
244.22676	1.7
244.88683	1.6
255.23218	4.8
291.16122	1.6
537.26923	2.3
541.19385	1.8
639.38409	1.9
797.43591	99.1
798.43921	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.5
65.00198	9.4
70.87512	5.6
71.01240	4.0
72.99146	1.9
83.01254	1.8
85.02787	1.8
88.67188	1.7
93.03319	11.6
96.95901	2.8
102.06460	1.5
107.01255	1.8
109.02819	13.0
121.02840	48.7
124.01563	2.9
125.02320	1.8
135.04419	4.6
137.02370	2.3
139.03880	5.3
147.00757	2.2
147.04373	2.5
148.01549	2.2
149.02357	11.8
149.72723	1.5
151.00287	7.6
155.04811	2.0
159.04462	2.9
159.08038	2.3
161.02296	4.2
161.09583	2.8
163.00308	3.3
163.03793	1.7
171.04330	2.1
171.08023	2.0
173.02483	2.7
174.03043	2.6
175.00293	7.3
175.03897	3.5
178.99803	2.8
183.04398	3.0
185.05962	2.0
185.09750	2.2
187.03928	2.2
189.01797	3.4
189.05458	2.1
190.02623	2.4
191.03415	2.3
191.05507	5.5
199.03943	3.2
201.01884	5.0
203.03455	6.4
203.10674	2.8
209.09799	1.7
213.05592	1.9
214.02632	3.0
215.03467	5.8
227.03467	9.3
227.10805	2.6
228.04106	1.7
229.05000	7.9
229.08482	2.2
231.02948	2.2
239.03520	2.6
241.05014	5.2
242.05661	2.3
243.02933	2.9
243.10133	1.7
251.54387	2.0
253.04900	2.5
255.02859	2.3
255.06647	20.4
256.03802	2.8
257.08154	5.8
265.04953	2.4
269.04733	1.9
269.08170	11.9
271.02435	15.5
271.09769	12.9
281.08102	4.4
283.09500	2.0
297.07635	2.1
299.01974	24.8
299.09250	4.1
300.02682	9.1
301.03326	4.3
309.11258	2.1
311.12778	3.6
313.03610	4.6
314.04446	1.7
325.03549	5.0
329.13983	3.5
351.05121	6.8
353.06738	6.9
355.11853	7.3
373.12921	10.1
377.06516	12.5
379.08173	4.5
381.20602	4.4
391.08209	4.8
399.21677	2.6
405.09778	15.8
407.11267	4.6
407.18600	3.5
419.11328	12.7
420.12057	16.4
421.12967	15.1
425.19583	15.3
431.11200	2.3
443.20770	7.2
445.13007	2.9
449.12836	2.1
457.52307	1.8
459.14767	2.3
471.20279	3.4
504.08963	12.5
523.16492	5.1
557.21179	2.8
574.22113	7.6
575.22809	48.3
576.23199	7.3
577.43054	2.0
592.23126	17.5
593.23901	85.6
594.24249	12.8
625.19110	12.1
635.25244	3.2
779.29132	35.4
780.29816	6.1
797.30243	100.0
798.30670	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.5
65.00198	9.4
70.87512	5.6
71.01240	4.0
72.99146	1.9
83.01254	1.8
85.02787	1.8
88.67188	1.7
93.03319	11.6
96.95901	2.8
102.06460	1.5
107.01255	1.8
109.02819	13.0
121.02840	48.7
124.01563	2.9
125.02320	1.8
135.04419	4.6
137.02370	2.3
139.03880	5.3
147.00757	2.2
147.04373	2.5
148.01549	2.2
149.02357	11.8
149.72723	1.5
151.00287	7.6
155.04811	2.0
159.04462	2.9
159.08038	2.3
161.02296	4.2
161.09583	2.8
163.00308	3.3
163.03793	1.7
171.04330	2.1
171.08023	2.0
173.02483	2.7
174.03043	2.6
175.00293	7.3
175.03897	3.5
178.99803	2.8
183.04398	3.0
185.05962	2.0
185.09750	2.2
187.03928	2.2
189.01797	3.4
189.05458	2.1
190.02623	2.4
191.03415	2.3
191.05507	5.5
199.03943	3.2
201.01884	5.0
203.03455	6.4
203.10674	2.8
209.09799	1.7
213.05592	1.9
214.02632	3.0
215.03467	5.8
227.03467	9.3
227.10805	2.6
228.04106	1.7
229.05000	7.9
229.08482	2.2
231.02948	2.2
239.03520	2.6
241.05014	5.2
242.05661	2.3
243.02933	2.9
243.10133	1.7
251.54387	2.0
253.04900	2.5
255.02859	2.3
255.06647	20.4
256.03802	2.8
257.08154	5.8
265.04953	2.4
269.04733	1.9
269.08170	11.9
271.02435	15.5
271.09769	12.9
281.08102	4.4
283.09500	2.0
297.07635	2.1
299.01974	24.8
299.09250	4.1
300.02682	9.1
301.03326	4.3
309.11258	2.1
311.12778	3.6
313.03610	4.6
314.04446	1.7
325.03549	5.0
329.13983	3.5
351.05121	6.8
353.06738	6.9
355.11853	7.3
373.12921	10.1
377.06516	12.5
379.08173	4.5
381.20602	4.4
391.08209	4.8
399.21677	2.6
405.09778	15.8
407.11267	4.6
407.18600	3.5
419.11328	12.7
420.12057	16.4
421.12967	15.1
425.19583	15.3
431.11200	2.3
443.20770	7.2
445.13007	2.9
449.12836	2.1
457.52307	1.8
459.14767	2.3
471.20279	3.4
504.08963	12.5
523.16492	5.1
557.21179	2.8
574.22113	7.6
575.22809	48.3
576.23199	7.3
577.43054	2.0
592.23126	17.5
593.23901	85.6
594.24249	12.8
625.19110	12.1
635.25244	3.2
779.29132	35.4
780.29816	6.1
797.30243	100.0
798.30670	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	0.8
61.74233	0.4
71.01258	2.5
71.58698	0.5
73.02827	0.7
78.95776	0.7
83.01305	0.5
89.02322	1.9
101.02330	1.2
113.02364	1.0
116.92754	1.6
119.03281	0.5
125.02357	0.7
141.01599	55.0
191.05540	0.6
197.12743	0.5
235.08221	0.6
243.04782	0.9
255.23247	6.2
337.23602	3.3
360.71417	0.5
397.13525	9.3
398.14005	0.7
415.14676	2.0
419.11456	2.2
437.12958	3.4
512.04425	0.5
653.37897	1.1
675.36127	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68443	0.2
59.01239	0.5
59.55435	0.3
60.42191	0.2
61.06395	0.3
69.23184	0.9
69.23605	2.0
70.69035	0.2
71.01244	0.5
73.02811	2.6
75.00757	0.6
79.20313	0.3
98.20614	0.3
99.00759	1.1
99.92460	11.4
100.92519	0.4
114.93275	0.6
116.03382	0.3
116.92744	100.0
116.97134	3.8
117.01823	4.4
117.05456	0.4
117.92744	4.7
131.62773	0.3
142.23811	0.2
164.07858	0.3
191.05521	0.6
264.44281	0.2
337.19138	0.5
405.70071	0.3
526.42279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09515	1.3
58.65132	1.2
59.01253	100.0
71.01248	4.0
71.58690	2.1
73.92208	1.3
78.95753	1.8
89.02345	1.9
96.99214	1.5
97.02827	2.1
101.02316	2.9
108.78169	1.5
119.03411	1.3
141.01605	59.4
171.10251	2.3
197.70955	1.4
255.23259	8.5
277.21716	3.6
328.84851	1.5
337.23605	6.3
397.13513	12.7
415.14725	1.9
419.11713	1.9
437.12842	3.2
675.35211	1.9
795.45142	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.2
60.76601	0.3
70.07171	0.2
70.40881	0.2
71.01272	1.1
71.04898	0.3
71.57774	0.3
73.02821	13.9
74.02337	0.3
75.00751	4.8
76.66641	0.3
87.00758	0.7
89.02316	0.9
99.00760	6.9
99.92461	10.8
100.58498	0.2
100.92472	0.7
101.02335	0.5
113.02296	0.4
114.93299	0.6
115.00280	0.7
115.03904	0.6
115.99770	0.2
116.03427	1.0
116.92747	100.0
117.01825	26.7
117.05447	2.1
117.92754	6.2
117.97691	0.2
118.02164	0.5
125.02380	0.3
129.19774	0.2
133.00307	0.2
134.83299	0.2
143.91129	0.2
235.08211	0.2
277.21707	1.4
293.56430	0.2
335.54410	0.2
397.13538	2.2
415.14529	0.9
513.19983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.2
56.03959	0.1
59.01246	0.7
71.01261	0.5
73.02822	5.7
74.02339	0.3
75.00755	1.6
87.00764	0.3
89.02323	0.2
99.00758	3.2
99.92464	10.4
100.92491	0.5
101.02341	0.2
114.93275	0.6
115.00288	0.4
116.03428	0.5
116.92747	100.0
117.01826	12.4
117.05448	0.7
117.92753	4.1
122.90605	0.2
224.34586	0.2
229.92535	0.2
277.21729	0.7
397.13449	0.7
398.14084	0.2
526.10431	0.2
532.87146	0.2
771.52856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	2.4
63.90521	0.7
66.92414	0.9
68.32235	0.7
69.38920	7.8
71.01257	27.8
72.99197	1.5
73.02821	31.2
75.00795	0.8
75.35258	0.8
83.01258	10.4
84.68003	0.8
85.02820	5.9
87.00738	1.1
89.02308	6.7
93.03371	1.4
95.01287	1.8
96.95882	1.4
97.02813	1.0
98.19821	1.5
98.32771	0.8
99.00784	1.2
101.02331	29.1
109.02850	1.0
113.02338	12.9
119.03405	4.1
121.02863	1.6
123.04421	0.8
125.02393	1.3
131.03404	2.8
137.02332	1.3
138.01923	1.4
143.03419	3.3
149.04477	6.6
152.01086	0.8
155.03494	1.1
161.02434	0.8
161.04443	11.8
173.04492	1.2
191.05486	4.2
203.05519	2.0
221.06572	4.6
223.13425	2.2
232.39713	0.7
261.36923	0.7
269.10281	3.9
273.17221	3.0
311.11380	1.7
312.11752	1.0
331.17889	1.1
349.18591	1.3
401.18365	3.9
403.19803	5.4
674.21851	1.1
804.77679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57895	63.2
62.69215	49.3
63.66357	55.4
64.61624	60.0
71.58199	51.3
71.58665	82.3
96.95844	77.5
97.78363	56.9
111.65111	50.3
116.75932	49.8
120.31089	58.5
142.70581	57.8
209.11795	100.0
277.21674	81.2
285.29050	61.1
294.15222	57.5
351.62708	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.2
59.01237	0.6
61.98692	0.2
71.01256	0.3
71.06656	0.4
73.02822	4.3
75.00735	1.1
75.82886	0.1
89.02306	0.3
91.19658	0.2
99.00748	1.9
99.92464	9.3
100.92500	0.5
101.02329	0.2
113.11391	0.2
114.93292	0.7
116.03407	0.3
116.92748	100.0
116.97121	1.7
117.01823	8.2
117.05492	0.3
117.78061	0.2
117.92757	4.2
129.77625	0.1
136.72087	0.2
145.43657	0.2
155.66393	0.2
189.62759	0.1
277.21765	0.4
281.10260	0.2
300.69965	0.2
397.13776	0.4
503.27380	0.2
639.85822	0.2
661.63812	0.2
705.86383	0.2
748.26270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.8
69.28664	9.1
78.95774	21.1
98.19748	1.7
109.06456	0.9
152.99471	2.6
167.41605	0.8
168.04214	2.5
171.10197	2.1
183.13850	8.9
184.14340	1.0
195.13780	3.9
211.13300	3.9
223.13339	5.0
224.06895	8.0
226.10138	0.8
242.07935	2.4
255.23268	100.0
256.13013	1.0
256.23572	5.9
275.20190	7.3
293.21210	68.9
294.21524	5.3
409.23441	1.0
480.30927	77.2
481.31354	8.0
688.99072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29388	0.2
59.01244	0.7
71.01252	0.4
71.35146	0.4
74.54185	0.2
78.95780	3.4
79.89690	0.2
79.94406	0.2
79.95605	3.0
85.02843	0.2
89.02312	0.2
96.95892	100.0
96.96776	4.6
97.95824	0.4
98.95502	0.3
100.12272	0.2
101.02373	0.2
108.14661	0.2
116.55963	0.2
123.49090	0.2
135.04485	0.2
149.02380	0.2
163.03958	0.2
173.04492	0.4
191.05557	1.4
271.06012	0.2
293.21255	0.6
304.62817	0.2
449.89032	0.2
453.09094	1.4
464.15170	0.2
729.30725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
59.01253	100.0
67.45463	1.1
69.03333	1.3
71.01255	26.1
72.99187	1.8
73.02823	15.2
82.84950	1.2
83.01273	5.8
84.13161	1.0
85.02831	9.2
87.00764	3.5
89.02304	12.8
93.03349	4.1
95.01279	2.2
96.95873	3.1
98.19814	2.1
101.02330	19.2
109.02824	2.8
113.02328	11.6
119.03366	5.6
119.04951	1.5
122.03637	2.3
125.02338	3.9
131.03436	2.6
135.04398	3.5
137.02364	2.0
143.03448	3.2
145.51427	1.4
149.04469	5.0
149.06038	1.1
149.17615	1.1
150.03146	2.0
151.03940	1.5
152.01057	1.3
153.01855	1.6
161.02411	1.6
161.04471	7.7
165.05511	3.8
173.04518	3.1
177.01857	1.3
179.03387	1.4
179.05492	3.8
187.11209	1.5
191.05531	17.0
203.05568	1.7
313.16492	1.4
331.17535	3.3
373.18567	5.6
475.20523	1.3
583.95154	1.4
607.24188	2.5
655.69495	1.3
683.38080	2.6
701.38214	1.9
727.15405	1.5
787.29651	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
55.70929	0.6
57.03319	1.7
57.12022	0.7
58.00457	0.9
59.01253	100.0
60.01609	1.0
61.73131	0.6
66.54048	0.6
67.04834	0.6
69.58588	3.2
69.59013	1.9
71.01257	17.8
72.99200	1.3
73.02823	4.5
81.03343	0.6
83.01270	2.8
85.02827	8.1
87.00760	1.7
89.02316	8.3
93.03354	3.6
95.01292	2.0
96.95903	1.7
97.02847	0.7
99.00808	1.7
101.02322	10.7
106.89288	0.7
107.04902	1.3
108.02026	1.2
109.02879	2.0
111.00810	1.2
113.02322	7.7
119.03427	2.0
119.04971	0.7
121.02862	0.9
121.42434	0.6
123.04426	2.3
124.01626	0.7
125.02358	1.6
135.04446	2.8
137.02377	2.2
143.03397	1.0
149.02296	1.2
149.50815	0.6
150.03130	1.2
151.03941	2.7
152.01125	1.3
153.01868	0.7
159.02968	0.8
161.02362	1.4
161.04494	4.3
168.00613	1.1
173.04495	2.5
175.03918	0.8
179.03461	1.0
185.05870	0.6
191.05547	16.1
239.12982	0.8
283.12042	2.9
325.12839	0.9
331.06845	0.8
331.17703	5.2
373.18671	7.1
374.19327	0.7
521.07898	0.7
682.37500	1.2
683.38440	7.6
701.38953	3.2
743.40784	1.8
787.27374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03319	1.1
58.00455	0.5
59.01252	16.5
60.13076	0.5
69.77626	0.5
71.01257	11.1
71.58414	0.8
72.99171	0.9
73.02813	7.9
83.01247	2.0
85.02823	5.1
86.73182	0.5
87.00733	1.4
89.02315	4.9
91.12301	0.5
93.03324	1.1
96.95892	1.8
97.02811	0.9
101.02322	6.6
108.02090	1.0
109.02808	1.2
111.00755	1.0
113.02338	4.8
118.97999	0.5
119.03419	1.2
119.04906	0.9
123.04419	1.4
125.02386	0.7
131.03349	0.6
135.04382	1.5
137.02342	1.3
143.03458	0.5
151.03970	0.9
152.01018	1.2
152.04694	1.3
153.01833	0.5
163.03906	1.1
164.21556	0.5
165.01892	0.6
169.12296	0.7
173.04453	1.0
176.01057	1.5
177.01836	1.1
181.04979	0.5
185.11678	0.7
191.03372	1.1
191.05522	4.0
196.03761	1.6
211.06026	1.0
241.90779	0.5
255.02917	0.6
301.23926	0.6
329.23260	1.7
357.26376	4.4
358.26938	0.9
373.26205	0.7
375.27438	12.6
376.27698	0.7
387.36597	0.5
431.26389	1.0
445.28122	0.6
449.27701	1.2
491.28137	0.7
519.31665	10.4
520.32007	1.0
536.31512	0.9
537.32770	100.0
538.33118	10.5
561.23529	1.1
579.33588	2.6
605.22522	0.7
785.29163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
58.00470	0.6
58.61887	0.4
59.01255	16.6
60.01585	0.4
71.01255	10.0
71.58936	0.6
72.99169	1.0
73.02444	0.4
73.02813	2.6
83.01240	1.4
85.02818	3.8
87.00748	0.9
89.02316	4.1
93.03381	0.9
95.01265	1.1
96.95870	1.4
101.02327	4.6
108.02081	1.1
113.02345	3.1
119.03379	1.9
125.02383	0.8
135.04405	1.9
137.02316	0.8
152.01030	0.6
161.04424	0.7
161.83238	0.5
173.04497	0.9
185.11711	0.8
191.05579	3.6
269.13770	0.6
274.55472	0.5
329.23276	1.3
339.25470	0.7
357.26492	4.8
373.26053	0.7
375.27496	11.8
376.27811	1.4
449.20087	0.9
519.31714	10.7
520.31934	0.9
535.31232	1.3
536.31580	2.1
537.32782	100.0
538.33148	13.0
579.33435	3.6
580.33734	0.7
605.32660	0.6
621.35480	0.5
623.25232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.6
57.03320	0.7
58.00437	0.6
59.01251	17.0
71.01250	9.0
71.85958	0.4
72.99165	1.2
73.02803	1.9
83.01248	1.7
85.02824	3.9
86.03198	0.5
87.00736	1.3
89.02314	5.3
93.03336	1.1
93.68259	0.4
95.01241	0.8
96.95875	1.3
97.02807	0.9
99.00784	0.5
100.28273	0.5
101.02320	6.9
107.91378	0.4
108.02058	0.7
109.02825	0.7
111.04436	0.6
113.02351	3.3
114.02795	0.5
119.03374	1.8
123.04357	0.7
125.02304	0.7
126.37321	0.4
135.04422	1.4
137.02324	0.7
152.01009	0.6
161.02254	0.6
161.04411	0.7
173.04474	1.5
179.03465	0.8
179.05511	0.4
185.11736	0.9
191.05582	3.5
209.11787	0.5
215.12837	0.7
269.13953	1.0
271.29333	0.5
280.64084	0.5
308.29602	0.4
329.23312	2.0
357.26404	4.7
365.84528	0.5
373.25705	0.6
375.27481	13.5
376.27945	1.6
412.77036	0.5
449.20657	0.5
519.31738	10.4
520.32263	0.7
535.31061	1.0
536.32007	2.4
537.32751	100.0
538.33099	13.2
538.39362	0.3
579.33539	3.2
623.25769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.3
65.03840	3.2
71.01247	4.1
71.57706	2.0
83.02377	2.6
85.02861	2.0
87.00758	1.8
87.78151	1.8
91.05411	14.7
92.49561	2.1
93.03302	2.8
96.95899	4.0
97.52812	1.7
101.02348	2.7
109.02840	17.5
121.02843	13.3
125.02308	3.4
135.04417	100.0
136.04817	2.1
140.16531	1.9
147.04398	4.8
148.05167	3.9
149.05971	6.2
160.05220	2.7
161.05992	17.3
163.07571	4.6
171.10223	2.8
175.07565	5.2
179.07074	7.3
191.05508	4.8
193.08598	15.8
289.18152	5.4
305.21127	2.6
307.19193	12.8
308.19516	1.9
313.17996	3.3
315.12405	37.8
316.12653	4.3
325.20483	9.0
331.19122	3.4
333.20801	2.6
345.20712	3.0
355.19049	4.1
373.20313	5.4
391.21304	14.3
452.08444	2.1
469.24374	6.3
477.17960	2.7
596.04492	2.0
605.31140	2.5
623.31921	7.5
778.75000	2.3
785.37695	17.9
786.37976	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
58.00465	0.7
59.01245	3.7
65.03832	3.5
67.01766	1.6
71.01261	2.9
72.98238	0.6
73.02802	0.8
78.95813	0.6
83.04874	0.7
85.02827	1.6
87.00771	1.0
89.02298	1.6
91.05409	12.9
93.03339	3.0
96.95902	0.8
98.20546	1.8
101.02313	1.4
109.02835	19.9
109.06504	0.8
111.08045	2.7
113.02299	0.9
121.02847	14.0
123.08035	1.3
125.09627	6.0
127.11173	2.1
133.02837	1.1
134.03656	1.0
135.04414	100.0
136.04736	3.3
137.06007	0.9
137.09627	2.4
141.09084	0.9
147.04402	3.5
148.05244	3.9
149.05998	2.7
151.11185	1.4
153.09117	2.3
155.10695	1.3
159.04533	1.3
160.05223	4.4
161.04305	0.6
163.07565	5.0
164.08356	1.4
165.05424	1.0
167.07072	2.0
171.10185	2.9
173.05940	0.9
175.07553	8.4
183.10229	0.8
191.05528	1.3
191.07109	1.0
193.08644	17.7
195.10269	0.8
197.11807	1.6
199.13379	1.4
201.11281	11.9
209.11771	1.5
213.11272	9.4
227.12799	1.6
245.19093	0.9
281.08286	1.1
284.46783	0.7
289.18130	4.9
297.11395	4.2
300.02765	0.7
307.19150	5.4
313.10916	0.9
315.12408	17.1
316.12750	1.1
325.20236	4.1
387.25076	1.0
405.26437	1.9
477.17596	10.4
487.27252	0.8
501.28616	1.4
605.30371	1.0
623.32233	32.4
624.32623	5.5
654.51971	0.9
785.37781	43.1
786.37842	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.3
58.01704	0.8
59.01255	1.3
65.03835	4.5
67.01748	1.2
69.25647	10.6
71.01248	1.1
84.02064	0.9
89.02301	0.9
91.05406	14.6
93.03336	2.7
96.95863	1.8
98.19810	1.3
100.34251	0.8
109.02836	18.3
111.08038	1.6
117.44684	0.9
121.02836	13.2
122.03624	1.0
125.09589	4.2
127.11158	1.2
134.03603	1.5
135.04413	100.0
136.04741	3.6
136.71043	0.8
137.05887	1.1
137.09601	1.9
147.04430	4.6
148.05188	2.5
149.06026	1.0
151.11166	1.1
155.10692	1.1
159.04382	1.3
160.05185	2.5
161.05904	1.6
163.07541	3.3
164.08318	0.9
165.05405	1.4
165.09096	0.9
165.66048	0.9
167.07018	2.0
171.10130	3.1
175.07588	6.4
191.05501	3.2
193.08618	14.4
195.10155	0.8
199.13327	1.0
201.11255	9.9
209.11922	1.1
213.11284	6.6
225.11453	1.0
227.12823	2.4
229.31639	0.8
245.19182	0.9
289.17996	4.1
297.11139	2.4
299.01962	1.0
307.19095	6.2
315.12393	23.1
316.12610	1.9
325.20129	5.1
395.84784	0.9
475.26962	1.2
477.17886	2.0
487.26428	1.8
501.28394	2.7
575.34985	1.0
578.27228	1.0
605.30396	1.0
623.32263	48.2
624.32404	8.7
665.32855	1.2
677.49371	1.0
785.37451	12.3
786.37830	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
55.11819	0.3
57.03333	0.4
59.01254	100.0
60.01589	1.0
69.00060	0.3
70.81963	0.3
71.01260	7.5
72.99174	0.5
73.02822	1.7
74.68108	0.2
75.00756	0.5
75.96297	0.3
83.01273	0.9
85.02827	3.2
87.00789	0.6
89.02321	4.8
92.25494	0.3
93.03368	1.1
95.01271	0.7
99.00771	0.6
99.04414	1.1
101.02328	7.2
108.02102	0.5
113.02329	2.7
119.03417	2.0
123.04430	0.5
125.02395	0.3
135.04414	0.6
137.02380	0.7
143.03493	0.7
151.00368	0.3
152.01120	0.5
153.59167	0.3
159.02946	0.4
160.78801	0.3
161.04442	2.0
173.04529	0.5
179.05562	0.5
191.05519	3.6
191.06868	0.3
269.10345	3.4
311.11292	5.0
311.14270	0.4
312.11572	0.3
323.10001	1.1
331.68384	0.3
385.47153	0.3
399.16653	4.0
400.17148	0.5
411.16827	0.8
429.17636	23.6
430.18054	1.7
446.08646	0.5
471.18738	0.5
474.61475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.4
60.35201	1.2
69.03334	1.5
71.01256	5.1
78.95787	9.0
83.86721	1.1
85.02846	4.0
89.02325	11.5
93.03335	5.0
96.96835	4.8
108.02053	27.7
109.02843	21.4
115.81013	1.4
121.02793	1.4
123.00777	2.2
133.04953	4.7
135.04449	10.8
148.15649	1.3
152.01054	41.5
153.01863	20.3
168.48206	1.5
173.04486	13.4
175.30838	1.6
179.03378	8.5
191.05589	8.7
205.93271	1.6
236.21838	1.5
297.06104	3.6
315.07199	9.6
353.08792	7.7
356.50455	1.5
387.09247	2.7
431.11920	100.0
432.12335	5.3
433.22705	1.5
437.08896	1.7
491.71252	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.0
62.13622	0.6
65.00197	0.6
65.03835	3.3
67.01765	15.2
70.00143	3.3
71.01236	0.9
73.02845	0.7
79.05396	0.9
83.04873	0.7
85.02831	1.1
89.02330	0.7
91.05411	12.2
93.03336	1.8
94.66565	0.6
96.95911	3.5
98.19878	0.7
107.04916	1.1
109.02840	20.8
110.03084	0.5
113.02320	0.8
117.03333	1.4
119.89121	0.5
120.14045	0.6
121.02856	5.7
122.03699	0.5
123.04414	6.5
131.04912	0.9
133.02864	0.6
133.06511	2.3
135.04417	100.0
136.04761	3.8
147.04404	2.0
149.02318	0.7
149.05901	0.8
151.00293	1.8
153.05489	25.6
154.05780	1.2
157.02927	0.8
159.04436	2.1
160.89140	0.7
161.02350	6.1
161.06023	0.7
163.03886	0.9
165.05452	0.9
173.04523	1.1
173.06007	2.6
175.03929	1.2
175.07536	6.9
177.05484	13.5
178.99841	0.7
179.03398	2.5
191.05507	3.5
195.06554	3.5
196.05263	0.9
197.04416	1.0
197.06024	1.4
199.03983	3.0
203.07129	1.0
211.03938	4.0
227.07088	23.2
228.07481	2.1
241.05028	14.2
242.05316	0.9
243.38109	0.7
253.05017	4.4
253.08801	1.4
265.05112	0.9
267.02829	0.7
267.06711	2.5
271.09854	1.7
289.08569	0.7
291.06577	1.3
291.19769	0.8
293.04605	8.0
294.05075	0.8
299.01978	0.9
305.08151	6.6
306.08673	0.9
307.06146	4.9
307.09793	2.4
309.20718	1.2
333.07532	0.9
343.06003	2.8
347.09253	1.8
357.07693	12.1
358.07962	1.3
359.09250	73.0
360.09555	6.5
427.11795	2.1
451.11356	0.9
469.12915	93.0
469.66086	0.7
470.13245	12.0
495.14502	1.0
513.15332	0.6
602.17395	0.7
605.17810	1.1
623.19153	4.1
631.18536	1.5
675.20953	1.9
742.17377	0.7
782.96686	0.7
785.24530	23.4
786.24774	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	11.0
59.01258	2.9
66.35855	0.8
68.53728	0.8
69.89727	4.0
70.02862	5.3
72.00777	3.1
72.38883	0.8
85.02840	1.3
87.00771	1.4
91.05433	2.0
93.03336	2.3
95.10798	0.9
102.01871	0.7
120.88186	0.8
135.04395	1.2
147.04430	16.4
155.00011	0.9
161.04573	0.8
163.01108	0.8
164.07089	57.6
165.07452	1.5
170.57190	0.9
173.04488	1.9
191.05530	9.0
206.08163	100.0
207.08479	5.0
366.00870	0.8
447.98206	0.8
601.25378	0.8
663.26892	1.2
807.59021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	5.9
59.35009	1.7
71.01248	4.5
75.09547	1.7
77.21332	1.8
78.95795	4.3
79.95596	3.5
80.96396	19.8
81.03325	2.6
83.04889	6.3
89.17021	2.1
92.90570	1.9
94.97967	4.0
96.95857	2.2
101.02299	2.4
149.00171	1.7
152.99557	2.0
163.11139	2.5
164.98502	4.0
209.11772	100.0
210.12103	5.0
225.00648	6.8
227.12862	10.6
229.85760	2.0
253.09224	5.5
277.21698	48.5
278.22061	5.7
354.64874	1.7
445.21085	2.4
535.52789	1.9
783.41754	20.6
784.41809	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90842	2.4
56.12212	2.6
59.01231	8.1
60.51630	2.5
61.67302	2.7
70.49458	2.6
71.01260	5.9
71.57763	5.1
71.58127	3.1
78.95770	6.6
78.98432	3.8
79.95608	10.3
80.96392	51.2
83.04886	5.3
89.02381	3.8
91.67428	2.6
94.97955	9.3
96.95874	3.0
99.00716	3.0
101.02322	4.7
106.97964	2.8
122.58835	2.5
148.99033	4.1
164.98502	8.8
176.60957	3.2
199.13281	3.9
201.41232	2.5
209.09892	5.5
209.11760	75.7
210.12022	4.1
216.09038	2.5
219.00714	3.4
225.00699	15.3
227.12791	9.9
235.08192	6.5
253.09172	11.1
277.21686	100.0
278.22073	7.5
337.22748	3.0
614.08008	2.9
739.38593	4.0
783.42017	58.2
784.42712	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	11.7
59.01236	2.0
61.09222	0.5
69.39938	1.6
69.40363	2.9
70.02844	5.1
71.01256	1.2
72.00779	3.1
73.02829	0.7
78.95805	0.8
82.53378	0.5
87.00777	0.6
88.41631	0.5
88.98697	0.7
89.02328	1.0
91.05410	2.0
93.03352	1.4
96.95849	0.6
114.15831	0.4
119.03414	0.7
119.04858	0.8
123.04367	0.8
135.04460	1.4
142.46368	0.6
147.04425	20.1
148.04739	0.9
162.09131	0.6
164.07088	59.1
165.07507	1.3
173.04454	1.6
191.05537	7.4
192.05899	0.6
206.08167	100.0
207.08505	5.5
250.07173	0.9
277.73285	0.6
427.35657	0.6
586.25647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	9.5
60.65141	2.4
61.98696	34.9
71.01240	11.5
71.21232	5.5
71.21594	3.6
73.02799	3.2
78.95796	12.0
78.96165	2.4
78.98483	6.0
79.95592	14.4
80.96389	94.5
83.04929	2.8
87.00725	4.3
92.21199	2.5
94.37603	2.2
94.97976	17.3
101.02309	3.5
101.73985	2.4
106.97975	4.4
122.97455	4.7
134.97466	5.5
136.11960	2.5
136.99106	2.7
148.99022	6.8
152.98489	8.2
164.98535	15.2
191.05533	3.4
199.13226	3.8
206.99597	3.2
209.11742	8.4
222.38138	2.5
225.00661	27.8
225.11153	2.6
238.75348	2.3
245.16241	2.6
253.09328	3.0
255.23306	4.1
277.21817	17.1
278.21985	4.1
663.41693	2.8
739.38843	4.1
783.41888	100.0
784.42401	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03307	0.8
59.01249	18.3
71.01254	10.4
72.99160	0.9
73.02819	3.0
83.01272	1.2
85.02825	3.6
87.00736	1.3
89.02315	4.7
93.03311	0.8
95.01277	0.7
96.95852	1.3
98.20518	1.0
101.02325	5.9
108.02036	1.0
109.02827	1.2
113.02296	3.4
119.03387	1.8
123.04436	0.6
125.09591	1.0
125.12740	0.6
127.11208	0.7
135.04424	1.5
152.01053	1.0
153.01775	1.0
157.40994	0.8
161.04428	1.1
162.05493	1.3
171.10196	2.4
191.05595	2.8
327.21494	0.6
355.13046	1.0
355.24744	3.7
373.25882	11.3
374.26331	0.7
391.19678	1.1
394.44110	0.7
517.30298	9.8
518.30603	1.2
535.31219	100.0
536.31586	14.4
577.32147	10.1
578.32770	1.4
739.38007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03306	0.7
58.00462	0.5
58.83803	0.5
59.01254	14.4
69.03365	0.5
70.76164	0.8
70.76508	1.1
71.01256	8.4
72.99171	1.2
73.02817	4.0
83.01257	1.6
85.02810	3.5
87.00748	0.5
89.02319	4.3
95.01260	1.2
96.95872	0.8
99.00787	0.5
101.02322	5.0
105.56274	0.4
106.16366	0.5
109.02828	0.7
113.02329	3.0
119.03390	0.9
119.04958	0.7
123.04372	0.5
125.02297	0.9
125.09601	0.8
127.41604	0.5
135.04414	0.6
151.12672	0.5
155.00005	0.5
161.04475	0.7
171.10210	3.0
191.05563	0.7
199.13345	1.0
296.58850	0.4
314.46170	0.5
355.24911	3.2
361.18707	0.9
373.25931	11.0
374.26382	1.0
391.19809	1.5
493.15509	0.6
517.30237	9.3
518.30109	0.8
535.31226	100.0
536.31494	13.3
577.32391	5.6
578.32623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.3
69.03313	0.7
70.02551	1.1
70.02966	2.3
70.24283	0.6
71.01256	5.2
73.02805	1.0
78.95782	10.7
79.95602	1.3
80.96389	7.4
81.03345	1.1
83.01279	1.0
83.04886	1.6
85.02824	1.3
87.00754	1.1
89.02325	2.6
94.97971	2.1
96.96831	2.2
97.02840	7.6
97.97633	0.6
99.00759	9.2
101.02319	3.1
107.77834	0.7
109.06493	1.5
110.03626	1.1
113.02312	2.1
115.11990	0.7
123.73317	0.6
125.02312	1.0
125.09607	3.0
133.54034	0.6
134.97424	0.8
135.08028	0.9
136.05223	1.3
142.02635	2.5
152.99501	2.9
163.11226	7.7
164.98485	0.7
181.12251	17.7
199.13303	0.9
207.10210	46.9
208.10535	2.5
209.11795	7.2
225.00734	2.0
225.11279	100.0
226.11627	5.7
227.12877	1.6
235.08209	2.0
241.01236	3.7
243.12354	11.0
253.09221	3.4
255.23219	5.8
263.20169	6.4
277.21725	83.9
278.22064	6.4
281.24881	6.3
290.08591	0.6
299.15054	1.2
313.00464	0.8
317.16019	1.1
353.70074	0.7
357.84988	0.7
443.19507	3.7
461.20303	43.0
462.20712	4.2
550.53174	0.8
721.41699	21.4
722.42352	4.3
781.41168	20.2
782.41699	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	43.7
70.11434	4.2
71.01263	1.9
72.29183	1.0
78.95779	59.4
78.98510	1.1
79.95605	4.0
80.02551	1.5
80.96399	15.5
81.03320	1.5
83.04897	6.5
84.02045	1.1
88.31969	1.0
88.44425	1.0
90.20226	1.0
94.97965	2.3
95.01299	0.9
96.96841	15.0
98.24926	1.1
114.88335	0.9
134.97449	1.8
152.98497	1.7
152.99513	13.8
163.11198	6.2
164.07751	1.1
164.98520	3.2
165.12718	2.3
181.12257	1.4
201.88390	1.1
209.11783	57.2
210.12082	3.2
223.00032	4.0
225.00679	4.0
227.12889	4.7
241.01158	30.8
255.23288	35.0
255.25943	2.1
256.23648	3.4
297.03964	1.2
303.67770	1.0
363.12164	2.9
378.59097	1.0
391.22644	3.4
553.27783	3.5
763.39661	1.7
781.41315	100.0
782.41797	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54596	2.5
72.73999	3.4
76.12836	2.6
78.95780	100.0
96.96842	19.4
104.01270	2.7
104.21976	3.7
111.08098	3.8
136.03856	3.9
152.99472	12.9
165.12785	24.6
183.13818	97.6
184.14182	7.3
223.00046	4.5
227.12842	26.6
228.13156	3.6
241.01149	42.3
255.23274	22.2
259.02222	3.3
271.42258	3.2
681.35352	3.5
781.41473	94.1
782.41797	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52040	0.6
59.01255	4.0
60.99178	19.0
61.98698	1.5
65.00199	2.1
71.01260	1.3
71.58185	1.0
72.99153	0.9
83.01268	0.8
85.02859	0.6
87.00738	2.1
88.00272	1.5
88.98679	100.0
89.02312	6.2
93.03336	5.1
96.95878	2.1
101.02336	1.4
108.02079	0.7
109.02853	0.7
121.02840	0.9
123.04392	2.8
125.02288	0.8
133.02858	2.0
133.74586	0.7
135.04411	1.1
136.01535	0.8
145.02939	0.8
146.03743	0.7
149.02428	0.7
149.99509	0.8
159.04449	0.9
163.00301	1.2
171.10167	0.8
173.02394	0.6
173.04494	0.8
185.06044	1.2
186.10417	0.7
191.05573	2.6
197.06047	1.0
201.01859	0.8
201.12743	1.5
211.03947	1.3
213.05484	1.2
227.03456	2.2
227.10803	1.1
229.05043	2.7
240.04247	1.0
241.05019	1.8
241.08591	1.0
243.10289	0.9
245.11884	1.5
253.05077	1.0
255.02911	1.9
255.06631	1.4
267.09973	0.7
269.08191	1.6
271.09811	1.6
277.04993	1.1
279.06619	2.3
281.04645	0.8
283.02585	2.4
284.03226	4.8
285.04056	4.7
291.06647	1.1
293.04575	1.1
303.06500	1.1
307.06082	1.6
307.09647	1.2
309.03885	1.0
311.05502	1.4
323.05682	1.2
323.22241	0.8
324.06219	3.2
330.04099	1.1
333.07452	0.8
333.11221	1.1
335.05502	6.4
335.09094	0.9
336.05948	1.3
345.11276	0.9
349.07111	1.5
359.05484	1.1
360.05908	0.9
361.07056	3.0
363.08563	1.7
373.26105	1.4
375.08722	3.4
381.20694	1.3
389.10318	4.7
397.13278	1.0
399.21600	1.2
403.11783	7.3
404.12604	3.3
405.13437	13.3
406.13669	1.0
415.12564	1.0
425.19653	1.9
456.80829	0.7
507.16849	1.4
533.17535	0.9
559.23328	9.2
560.23602	1.8
576.23438	1.6
577.24432	67.0
578.24634	12.0
587.29828	0.8
609.19873	6.8
610.19568	1.2
619.25177	3.1
635.40063	0.8
763.29211	1.9
781.30774	26.1
781.44977	1.5
782.31012	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.9
60.99179	4.5
65.00203	3.9
66.70596	0.6
69.03356	0.8
69.95728	1.1
69.96143	2.0
71.01286	0.9
72.99200	0.7
74.02264	0.5
77.89651	0.5
83.01306	0.9
85.02874	0.6
88.98680	26.2
89.02388	2.0
93.03339	6.6
95.04948	0.7
96.95943	1.8
97.02848	1.2
101.02369	0.5
109.02882	0.6
113.02403	0.7
115.58636	0.6
117.03383	1.5
119.04903	0.9
121.02888	0.7
123.04380	3.3
124.01594	0.9
132.02229	0.7
133.02904	2.4
135.04471	0.7
137.02423	0.9
143.05008	1.1
145.06522	0.7
147.98213	0.7
151.00327	2.4
153.01912	0.7
155.05020	0.9
157.02991	0.9
157.06558	0.7
158.03690	0.8
159.04478	1.3
161.09676	0.7
163.00349	1.3
164.01089	0.7
171.04411	0.8
171.10211	1.1
175.03873	1.1
179.03416	0.7
183.04396	0.6
185.06081	2.2
187.03975	1.2
191.05542	3.0
196.09518	0.7
197.06059	1.4
199.04063	0.8
199.07652	0.6
200.04665	0.8
201.01987	0.8
203.03448	1.4
203.10822	1.3
209.06071	1.0
211.03998	1.3
211.07611	0.7
212.04770	1.2
213.05510	0.9
215.03511	1.2
217.05185	0.8
219.03116	0.9
225.05516	0.9
225.09250	0.9
227.03519	4.6
227.10815	1.0
229.04991	3.0
235.07802	0.6
237.05615	1.6
239.03563	1.0
240.04335	1.8
241.05159	2.4
245.11833	0.8
251.07278	1.1
253.05016	0.9
253.08963	0.7
254.05989	0.9
255.02975	4.8
255.06699	1.6
255.10381	0.9
263.07178	0.9
265.05133	0.8
267.06659	0.9
269.04755	0.8
269.08215	2.8
271.09894	0.8
277.05167	1.4
279.06723	1.4
280.03751	0.7
281.04831	1.2
281.08176	2.8
283.02451	4.7
283.09964	0.9
284.03259	8.2
285.04083	6.4
291.06747	0.6
293.04562	1.0
293.08060	0.7
295.06287	0.8
297.04160	1.0
298.04767	1.1
303.06973	1.1
303.10156	0.9
307.06464	1.0
307.09814	1.5
309.04080	2.5
309.07755	1.7
311.05655	2.3
315.06757	0.8
317.08362	0.9
323.05603	3.1
324.06534	2.4
325.07178	0.9
330.03845	1.4
333.11371	0.8
335.05627	7.0
335.09323	2.6
337.07233	5.0
348.06329	0.9
349.07184	2.4
359.05530	1.4
360.06262	0.9
361.07117	4.5
361.10873	0.9
363.08762	5.5
365.10284	0.9
375.08755	4.7
379.18204	0.8
381.20609	1.7
387.08820	1.3
389.10291	4.1
397.13385	0.9
399.21600	1.3
403.11789	7.7
404.12607	3.8
405.13483	11.0
406.13669	1.2
407.18625	1.2
425.19940	1.9
429.13412	0.8
433.13037	1.7
436.77542	0.7
442.19528	0.6
443.20685	1.0
470.19348	0.7
488.10013	1.1
507.16364	1.0
529.18713	0.8
533.18054	1.2
541.22363	1.0
558.22681	1.1
559.23364	18.7
560.23712	2.5
576.23962	3.1
577.24420	100.0
578.24725	15.1
609.19702	6.7
610.19977	0.9
619.25824	5.2
721.41913	0.9
763.29706	4.6
781.30719	47.1
782.31299	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53077	0.6
59.01255	2.5
60.99180	5.9
61.98718	1.3
65.00211	2.4
68.99695	0.7
69.73756	0.9
69.74171	3.3
71.01270	1.7
72.99197	0.9
82.08829	0.5
88.00273	0.8
88.98680	44.2
89.02319	2.7
90.90811	0.6
93.03342	6.7
96.95920	1.1
97.02837	0.8
98.20471	0.7
101.02329	0.8
108.02084	1.1
109.02843	0.7
117.03328	1.0
120.02785	0.5
121.02886	0.7
123.04398	4.0
123.08080	0.6
125.02410	0.7
132.02104	1.2
133.02861	2.6
135.04451	1.4
136.01588	0.8
137.02403	0.9
145.02858	1.3
147.04448	0.7
151.00328	0.6
155.04988	0.6
161.02409	0.8
163.00351	0.6
164.01082	0.7
169.06496	0.8
171.04468	0.9
171.10210	1.4
173.04454	0.9
173.05997	0.8
175.03925	1.4
183.04454	1.0
185.06027	1.6
186.10440	0.6
187.04016	0.9
189.01790	0.6
191.05579	2.2
195.04440	0.7
197.06044	1.0
199.03905	1.0
199.07567	1.4
201.01845	1.0
203.03355	0.7
203.10730	0.9
211.03958	1.6
211.07674	0.9
213.05510	1.0
213.09142	0.8
214.02650	0.7
215.03484	1.1
225.05571	0.7
225.09286	1.1
226.02734	0.7
227.03482	2.7
227.10739	1.6
229.05035	1.8
237.05624	0.6
239.03479	1.1
239.07253	0.9
239.10701	0.6
240.04294	2.0
241.04953	2.4
242.09415	0.9
243.03056	0.7
245.11894	0.8
251.07080	0.9
251.10735	0.6
253.05060	1.8
255.03006	3.6
255.06581	1.7
255.10246	0.8
256.03610	0.9
267.06589	1.4
269.04901	0.8
269.08139	2.1
270.09119	0.8
271.09793	1.5
277.05081	1.8
277.08618	0.6
279.06631	3.3
281.08136	1.2
283.02490	2.5
284.03326	5.3
285.03995	7.2
286.04257	0.6
291.06564	1.2
293.21201	0.7
295.06235	0.8
297.03912	1.2
303.06613	1.8
305.08295	0.9
307.06216	0.8
309.04111	1.7
311.05695	1.8
315.06717	1.0
317.08154	1.5
319.09784	0.9
322.04782	0.9
323.05630	3.2
324.06375	5.5
329.13974	0.9
330.03674	1.6
331.13623	0.9
335.05640	10.7
335.09305	1.2
336.06076	0.9
337.07089	1.5
349.07043	1.4
359.05731	1.0
359.13022	0.9
360.06091	0.7
361.07190	4.0
361.10931	1.5
362.07291	0.7
363.08887	2.9
373.13000	0.9
373.26172	0.8
374.08105	0.7
375.08698	6.5
375.12762	0.8
376.09390	0.9
381.20761	1.5
389.10260	6.8
390.10852	1.0
391.11969	1.1
399.21793	1.0
403.11877	7.9
404.12595	5.5
405.13412	21.6
406.13950	2.0
407.18924	0.8
425.19507	1.7
443.20270	0.9
479.16632	0.6
507.16739	2.8
559.23322	12.6
560.23846	2.2
576.23560	1.8
577.24420	100.0
578.24689	16.2
609.19739	14.4
610.20184	1.6
619.25354	3.5
631.24060	0.6
740.58118	0.7
763.29993	1.2
781.30768	42.6
782.31067	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04428	0.6
69.25122	6.5
70.24349	0.5
78.24326	0.5
78.95770	0.5
79.95636	1.7
85.02856	0.5
88.08952	0.5
91.05410	0.7
96.95891	72.9
98.19733	0.8
101.02285	0.8
109.02808	0.9
109.82361	0.5
121.02880	0.6
135.04433	3.0
152.99512	0.6
191.05479	1.6
192.65242	0.6
265.14783	100.0
266.15140	4.4
314.18979	0.7
338.37256	0.7
407.22244	0.5
431.59698	0.7
469.29504	0.6
481.29474	1.7
495.31161	1.3
617.34717	1.3
696.33801	0.6
779.39594	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01709	2.0
59.01244	23.4
69.03331	1.8
69.56766	1.7
70.89895	6.6
71.01247	3.0
73.89674	1.7
78.95779	13.8
85.02802	1.8
89.02306	2.2
89.24620	2.0
96.96820	3.7
97.17998	1.9
101.02329	4.6
109.06422	2.5
152.99445	4.0
167.10654	3.4
169.04117	1.7
195.13846	10.3
205.12122	9.0
207.10236	9.9
220.60617	2.2
223.13339	100.0
224.13704	4.9
225.11246	8.5
235.08185	4.4
241.01154	8.7
253.09285	10.7
255.23270	9.4
256.23819	2.0
277.21695	89.1
278.22015	5.1
292.86441	1.8
295.24072	2.2
441.21146	2.6
459.22296	10.0
465.02347	2.1
492.24011	1.9
507.65857	2.7
584.28326	2.3
590.69843	2.0
779.39990	19.6
780.39935	3.9
791.06934	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.4
58.02834	1.9
59.01251	26.5
71.01251	4.7
75.00745	77.5
89.02318	3.6
101.02321	11.5
102.01850	4.7
102.02604	2.2
103.00252	100.0
103.03891	26.9
121.02834	1.8
172.29665	1.7
203.10690	1.8
235.08105	1.7
277.21729	7.5
315.14862	1.7
328.56213	2.2
397.13504	13.0
415.14581	3.7
482.95932	1.8
617.34076	2.1
779.41113	2.0
788.96887	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.6
57.03308	1.8
59.01255	39.3
61.27264	1.7
71.01254	31.1
71.52412	1.7
72.99181	3.8
73.02823	3.3
83.01296	1.4
85.02805	7.9
87.00762	2.6
89.02322	20.3
90.02644	1.6
91.05413	4.7
93.03344	4.3
95.01237	2.7
95.26390	1.3
96.95889	13.0
98.95486	2.2
101.02318	15.4
105.45203	1.4
109.02858	6.7
109.53801	1.5
113.02325	9.3
119.03394	8.3
119.04927	5.6
121.02843	3.3
125.02312	2.5
133.02881	3.1
135.04419	34.1
136.04816	1.5
137.02306	4.4
143.03374	2.9
150.03165	1.8
161.04515	1.9
165.12756	4.6
167.79898	1.6
173.04439	3.6
177.01889	2.3
179.05400	1.8
183.13828	100.0
184.14145	5.8
191.05562	16.8
197.11749	1.5
209.11830	5.0
227.12837	5.3
251.87997	1.6
297.11249	7.2
301.16565	63.1
302.16895	3.5
309.20667	6.4
323.13095	3.6
397.13632	2.0
477.17627	79.1
478.17957	10.2
485.17615	2.4
723.95715	1.7
725.77271	2.0
758.64301	1.8
785.11566	1.5
805.83972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.2
63.56584	0.1
71.01249	0.7
77.88348	0.1
78.95776	1.8
79.95608	3.2
83.02357	0.1
85.02821	0.4
87.00761	0.2
89.02305	0.4
93.03335	0.4
96.95889	100.0
96.96879	3.3
97.95837	0.4
98.02344	0.3
98.20515	0.2
101.02338	0.4
108.02044	0.3
109.62929	0.1
113.02321	0.3
122.82635	0.1
123.04435	0.1
135.04372	0.3
137.02306	0.2
149.02353	0.1
152.01068	0.2
153.01805	0.4
161.04482	0.2
165.01889	0.4
177.01805	0.2
179.03488	0.2
180.04256	0.2
191.05597	0.8
195.06583	0.3
225.07660	0.3
229.67290	0.1
273.54453	0.1
301.16376	0.1
315.07288	0.3
319.17578	0.7
346.13965	0.1
361.18744	0.9
414.63449	0.2
716.50781	0.2
725.61292	0.2
733.53949	0.1
775.46655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	0.6
71.58429	0.5
75.64431	0.2
78.95779	4.8
79.95608	3.1
93.03323	0.3
96.95890	100.0
96.96785	5.7
97.95819	0.4
103.28854	0.3
167.55621	0.2
185.56305	0.3
191.05560	0.6
258.67053	0.3
279.23218	0.4
380.01096	0.3
397.13599	0.3
453.09515	0.6
675.13733	0.3
751.14514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	17.3
71.01247	11.4
71.58759	2.2
75.88411	1.3
85.02833	5.4
85.75149	1.3
88.19219	1.4
89.02319	5.6
93.03338	7.6
95.01273	2.8
96.95897	28.9
101.02320	5.9
107.04822	1.5
108.02062	2.0
109.02834	5.9
111.04406	1.7
113.02326	3.9
119.03403	1.6
121.02857	7.9
122.03641	3.7
123.00732	4.1
123.04408	2.9
125.02354	2.6
133.02834	2.2
135.04457	9.4
135.96692	1.7
136.01578	22.6
137.02345	19.4
149.02371	2.2
150.03098	10.7
151.00276	7.2
151.03925	28.1
152.01041	2.9
153.01811	3.4
163.03912	2.9
164.01044	2.3
164.04662	1.8
165.01843	100.0
165.05504	16.7
166.02650	20.6
167.03447	3.0
173.04469	6.0
175.03894	3.8
177.01884	3.4
179.03432	26.4
179.05026	2.3
179.05608	1.6
179.07018	1.4
180.04204	63.5
180.05783	3.6
181.04976	25.5
189.05502	2.9
190.06216	5.3
191.05499	14.0
194.05884	3.4
195.06566	94.3
196.06917	5.1
205.42554	1.5
207.06488	3.2
210.05281	11.2
223.06168	2.0
225.05426	3.3
225.07646	68.4
226.07977	3.9
233.90988	1.6
273.09882	1.6
329.09824	2.3
356.12692	2.6
357.09714	5.9
357.13611	7.1
372.12213	5.4
386.13773	3.6
387.14526	53.6
388.14597	7.3
417.15280	5.3
535.19641	2.4
565.20764	61.8
565.29559	3.3
566.21210	8.0
613.22900	18.5
614.23773	3.1
767.31805	1.7
775.30121	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51707	1.5
59.01250	16.9
71.01260	11.1
71.58845	2.4
72.99183	1.6
73.02839	1.5
80.25133	1.7
84.26053	1.3
85.02821	2.7
87.00772	2.9
88.98644	1.9
89.02326	8.6
91.00523	1.5
92.45673	1.4
93.03351	7.2
96.95883	4.4
101.02339	5.1
107.04883	1.6
108.02090	3.0
108.50817	1.5
109.02843	8.8
111.00778	2.3
113.02338	3.1
119.03426	2.9
121.02834	6.6
122.03623	18.3
123.00759	2.0
124.01594	1.8
131.04953	1.8
133.02870	3.5
135.04404	5.9
136.01656	2.5
137.02351	14.2
139.03873	1.8
149.02336	24.5
150.03127	86.7
151.00244	9.7
151.03821	6.3
152.01065	2.7
152.04721	3.4
152.14369	1.7
153.01910	2.0
159.04510	1.8
159.65077	1.6
161.02249	2.9
163.03935	3.0
164.04700	5.9
165.01817	5.3
165.05489	100.0
166.02625	29.7
166.05869	3.4
167.03348	4.6
173.04465	2.1
177.01849	1.9
177.05479	3.3
178.02496	2.7
179.03421	5.0
179.07031	2.1
180.04218	8.9
181.04985	34.3
184.03780	1.9
187.03864	2.8
191.05591	7.8
193.05029	2.3
195.06563	65.2
196.06906	3.0
205.04962	7.4
220.07364	4.8
225.07561	2.8
273.16238	1.8
307.17206	1.9
339.08969	2.1
369.13412	3.2
372.12000	2.1
386.14008	1.7
387.10745	5.0
387.14975	9.1
402.13315	3.9
403.14056	2.0
416.14600	2.8
417.15533	60.0
418.15817	6.7
535.16949	3.4
565.20746	64.9
566.21045	7.8
595.21747	2.7
613.23071	33.6
614.23132	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21302	0.5
59.01252	12.0
71.01244	2.4
71.57548	0.8
73.02838	0.6
85.02836	1.0
86.81793	0.5
89.02322	0.9
93.03377	0.6
99.66853	0.6
101.02336	1.8
109.68576	0.5
113.02346	0.8
123.03164	5.6
125.02376	0.7
135.04424	0.7
138.05507	100.0
139.05884	3.8
153.01843	0.6
161.04468	0.7
169.30518	0.5
173.04578	0.5
191.05540	3.0
227.03586	0.7
255.03062	1.2
282.09839	4.3
284.03305	1.3
300.02750	0.6
300.10889	2.0
301.03555	0.5
340.49341	0.5
342.11963	1.7
383.19241	0.5
387.20288	4.6
446.39615	0.5
729.89832	0.5
739.21094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21302	0.5
59.01252	12.0
71.01244	2.4
71.57548	0.8
73.02838	0.6
85.02836	1.0
86.81793	0.5
89.02322	0.9
93.03377	0.6
99.66853	0.6
101.02336	1.8
109.68576	0.5
113.02346	0.8
123.03164	5.6
125.02376	0.7
135.04424	0.7
138.05507	100.0
139.05884	3.8
153.01843	0.6
161.04468	0.7
169.30518	0.5
173.04578	0.5
191.05540	3.0
227.03586	0.7
255.03062	1.2
282.09839	4.3
284.03305	1.3
300.02750	0.6
300.10889	2.0
301.03555	0.5
340.49341	0.5
342.11963	1.7
383.19241	0.5
387.20288	4.6
446.39615	0.5
729.89832	0.5
739.21094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01254	3.7
65.83514	0.5
69.94662	2.8
71.01270	1.8
78.31735	0.4
80.32443	0.4
85.02782	0.5
86.01775	0.4
93.03357	1.4
96.95908	2.2
98.20563	0.5
100.91325	0.5
101.02338	0.9
103.37280	0.5
107.01272	0.5
108.85384	0.5
111.08044	1.2
114.62043	0.5
119.03425	0.5
125.02342	0.8
126.12155	0.5
135.04420	1.5
137.02365	1.7
151.00293	1.9
152.01028	0.5
153.01820	1.1
159.52649	0.5
165.12769	21.2
166.13113	0.9
173.04361	1.2
178.99782	1.6
183.13832	87.7
184.14143	4.6
191.05536	4.1
209.11699	1.4
227.12842	100.0
228.13193	5.2
236.22731	0.5
271.02249	0.8
299.02048	0.7
309.86249	0.6
495.16260	0.5
593.22723	0.8
611.23962	1.1
773.30322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98665	0.2
71.01249	0.3
71.57687	0.2
77.64302	0.2
78.95777	5.2
79.95614	3.3
90.97070	0.2
94.97950	0.5
96.95893	100.0
96.96790	6.8
97.95818	0.4
98.02350	0.6
135.72974	0.2
149.60458	0.2
158.20667	0.2
235.96463	0.2
236.29875	0.2
258.64035	0.2
357.84979	0.2
434.17612	0.1
435.08304	0.3
453.09286	0.3
471.26627	0.2
593.54272	0.2
713.30829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68535	0.1
71.01241	0.5
71.06401	0.3
71.06755	0.2
71.69041	0.1
78.95778	4.5
79.95608	3.0
94.97948	0.3
95.97449	0.2
96.95891	100.0
96.96783	6.1
97.02805	0.2
97.95847	0.4
98.02363	0.6
98.90598	0.2
137.56516	0.2
170.71031	0.1
171.10139	0.2
259.14383	0.2
435.08325	0.3
453.09204	0.4
713.30896	0.4
735.04315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
58.68429	0.8
59.01252	15.2
65.00178	0.6
67.01746	0.7
69.03313	1.7
71.01260	11.5
71.58329	1.2
72.99189	0.9
73.02798	4.3
81.03329	1.4
83.01247	3.1
83.85136	0.8
85.02823	8.5
87.00742	1.5
89.02351	2.4
93.03330	7.3
95.01276	3.3
96.95901	4.4
97.02834	1.3
99.00749	1.0
101.02335	7.6
108.02052	77.4
109.02852	28.7
113.02327	5.1
121.02843	3.6
123.00790	2.6
123.04430	2.0
125.02340	3.7
133.02834	4.3
135.00722	4.0
135.04398	2.7
137.02315	3.3
149.02359	1.1
151.00278	1.8
151.03922	3.6
152.01062	79.5
153.01846	31.7
153.03085	1.4
154.02150	1.3
161.04465	1.9
163.03911	3.0
165.01846	2.7
169.01385	0.7
173.04472	2.9
176.01143	1.6
177.01859	36.4
178.02277	0.9
178.99716	1.2
179.03421	1.1
181.62141	0.7
191.03799	1.0
191.05540	7.5
195.03003	1.4
209.11800	1.4
258.22397	0.7
271.02423	0.9
285.03943	1.0
299.01761	1.2
300.02487	1.7
301.03558	0.8
315.07220	100.0
316.07449	5.6
338.78882	1.0
339.07187	51.0
340.07364	2.9
357.08286	2.5
383.06189	23.3
384.06555	1.3
401.07269	23.1
401.12570	1.3
402.07452	1.6
475.98950	0.8
581.27930	0.7
583.31085	2.5
601.32428	1.2
611.24182	1.4
625.32910	0.8
627.33435	0.7
643.34125	0.9
669.39874	1.1
729.39844	0.8
773.19189	2.1
773.31134	1.9
773.43475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
59.01257	7.5
69.03349	0.7
71.01255	5.2
71.06129	1.3
72.11369	0.5
73.02808	1.6
83.01261	0.8
83.04861	0.9
85.02827	1.9
87.00752	1.3
89.02294	3.8
93.03326	0.8
96.95912	1.3
97.06479	1.2
101.02329	5.1
111.08061	1.0
113.02319	2.5
119.03410	1.6
121.02834	0.5
123.08003	0.9
124.82555	0.6
125.09619	1.7
127.11168	0.8
135.04405	2.0
137.09639	1.3
161.02388	0.7
161.04480	2.1
165.12756	11.7
171.10190	2.2
173.04454	0.7
183.13831	82.9
184.14110	3.9
191.05482	0.6
199.13393	1.7
201.11275	5.0
207.10320	0.6
209.11743	2.2
211.13362	0.8
213.11240	3.8
223.13573	0.6
225.11368	0.8
227.12828	9.7
228.13264	0.7
235.08246	1.2
245.19156	0.8
248.78018	0.6
253.09262	7.2
260.01028	0.6
289.18069	3.6
307.19199	5.7
308.19614	0.8
309.20612	1.3
325.16595	1.1
325.20187	12.1
326.20840	0.8
368.42743	0.7
379.00745	0.6
445.20694	0.8
462.15652	0.6
463.21854	100.0
464.22119	8.7
473.32678	2.2
514.19067	0.7
609.31250	1.3
709.41931	2.7
723.03088	0.6
753.40619	4.0
754.40338	0.9
771.41925	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03316	1.2
58.45943	0.7
58.72326	0.7
59.01252	9.7
67.01757	0.7
70.32874	3.2
71.01254	6.4
72.99162	0.8
73.02820	1.0
83.04925	1.0
85.02847	1.9
87.00758	2.5
89.02335	4.0
91.05424	0.8
93.03346	1.0
95.04842	0.7
96.95916	3.7
97.06448	1.3
101.02323	5.5
111.08057	2.3
113.02303	3.9
123.04455	0.9
125.02337	0.9
125.09605	3.0
128.03465	0.8
135.04413	4.1
137.02307	0.9
137.09656	1.3
139.11185	0.8
153.09103	1.2
161.04565	1.4
161.06013	2.4
162.06314	1.2
163.11212	0.8
165.12788	12.7
169.12239	0.7
171.10170	3.8
181.12125	0.7
183.13834	82.0
184.14220	3.6
191.05618	2.1
197.11806	2.3
198.12099	0.7
199.13367	1.2
201.11212	5.0
209.11771	4.6
213.11255	3.5
225.11426	0.7
227.12825	12.5
228.12987	0.7
235.08162	1.1
245.19228	1.5
253.09296	7.9
289.18082	3.4
291.19537	1.3
299.02066	1.2
307.19196	7.0
309.20624	2.0
325.20190	13.1
326.20566	1.0
341.24969	1.2
463.21872	100.0
464.22156	9.7
473.32797	1.6
609.33234	1.8
709.41760	2.2
753.40894	4.2
771.40851	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03313	1.5
58.00460	3.6
59.01251	69.2
60.01571	1.5
60.99180	1.2
61.98687	4.9
64.44090	0.9
69.03336	1.6
69.34309	11.3
71.01252	50.7
72.99166	3.0
73.02808	8.2
77.49078	1.1
78.95767	1.2
83.01250	6.1
85.02830	16.7
85.92471	1.0
85.99969	1.2
87.00746	4.1
89.01760	2.0
89.02317	31.1
89.54774	1.0
93.03356	2.1
95.01257	4.8
96.95893	9.0
99.00793	2.7
101.01688	2.0
101.02327	27.7
103.03923	1.2
107.01319	1.9
109.02834	2.5
111.00758	1.9
113.02336	21.1
116.92795	1.1
119.03412	10.1
120.96641	1.0
121.02851	1.1
123.04380	1.0
125.02321	3.1
131.03378	1.7
135.04398	2.7
143.03378	3.6
151.00276	4.9
153.01840	1.1
159.02908	1.2
161.04466	3.1
162.22652	1.0
173.04453	2.4
178.99702	2.9
179.05511	3.0
191.05501	7.8
199.04022	1.5
213.42747	1.1
215.10957	1.2
215.24294	1.0
227.03551	1.5
243.02907	2.6
255.02969	3.8
270.01712	1.3
271.02469	7.2
272.02869	1.3
283.02545	1.9
299.01965	15.4
299.25928	2.6
300.02542	4.9
301.03506	4.2
361.29593	2.5
461.07037	2.8
461.31464	2.3
487.32883	1.5
505.33804	16.8
506.34052	1.4
523.34540	3.6
547.34998	1.8
609.23260	8.4
667.39117	100.0
668.39441	16.3
685.28760	2.1
685.40186	25.8
686.40802	3.0
727.41504	9.9
728.41260	1.8
771.30115	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.3
57.03324	6.0
58.00454	3.2
59.01252	84.5
64.37721	1.0
65.48454	1.0
69.03315	2.6
71.01254	61.5
71.58447	1.3
72.99178	5.9
73.02824	8.0
74.82811	0.9
78.19315	1.1
83.01254	5.9
83.04886	1.2
85.02820	23.2
87.00771	5.4
89.02320	31.1
93.03334	4.1
95.01253	6.5
96.95874	3.3
97.02823	1.9
99.00745	4.9
101.01698	2.2
101.02329	31.3
108.02036	3.3
109.02833	5.1
111.00753	4.5
113.02331	26.7
119.03387	12.1
121.02849	1.7
122.03635	1.2
123.00800	1.3
123.04393	2.2
124.01568	1.8
125.02299	6.0
133.02863	3.2
135.04428	20.1
136.04742	1.7
137.02353	2.6
143.03380	3.3
145.08539	1.2
149.02327	4.1
151.03928	2.8
152.01028	3.2
153.01794	3.7
153.05484	1.3
161.02341	1.7
161.04462	4.9
163.03922	2.3
171.13875	2.2
173.04521	2.5
175.07494	1.1
177.01857	39.0
178.02271	2.0
179.03404	2.2
179.05557	4.7
182.02107	1.2
191.03828	1.9
191.05511	10.7
197.04530	3.2
209.11853	1.2
257.21213	1.8
267.25793	1.1
304.89755	1.1
310.47400	1.1
315.07175	2.0
331.06631	2.2
353.08713	1.5
361.29590	6.2
382.99411	1.1
385.45795	1.1
401.07108	1.6
505.33792	9.7
506.34302	1.5
523.35016	9.2
529.20471	2.7
591.20996	2.3
631.37518	1.3
637.49030	1.4
667.39105	100.0
668.39471	17.4
685.40112	55.9
685.51892	2.7
686.40607	9.7
727.29712	1.5
727.41254	25.5
728.41730	6.0
771.26898	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08348	0.4
59.01225	0.5
66.48745	0.3
71.01288	0.4
73.02821	2.2
75.00747	0.6
78.95774	1.0
86.99300	0.3
96.95898	0.8
99.00723	0.8
99.92461	10.0
100.92496	0.4
114.93355	0.4
116.92747	100.0
116.97120	4.2
117.01837	4.9
117.92754	3.9
152.99464	0.7
174.01591	0.4
206.62080	0.4
229.38515	0.4
264.82217	0.3
313.19159	0.5
340.61905	0.3
345.85660	0.4
348.84811	0.4
397.13220	0.4
559.55542	0.4
582.84058	0.4
746.11719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03332	4.3
57.41159	1.1
58.00477	3.1
59.01251	80.6
69.03359	1.3
69.82861	7.2
71.01254	58.4
71.10835	1.1
72.99183	4.1
73.02821	10.0
75.00745	1.9
83.01258	7.0
84.62623	1.2
85.02826	25.5
87.00749	5.9
89.02309	23.3
93.03340	5.1
95.01254	5.8
96.95883	2.8
97.02831	2.8
99.00790	3.4
99.04353	1.1
101.02325	31.9
108.02050	2.3
109.02837	5.3
111.00780	2.3
112.01606	1.5
113.02325	28.3
119.03390	9.9
121.02853	2.1
121.08427	1.3
123.04424	1.4
125.02314	7.1
135.04402	3.0
137.02344	3.3
141.34969	1.1
143.03429	4.7
149.05974	2.1
152.01096	2.8
153.01871	2.9
161.02385	2.6
161.04477	4.4
163.03917	1.4
173.04471	2.9
177.01904	4.2
177.05482	2.1
178.99680	1.3
179.03607	1.1
179.05478	2.7
191.05553	11.6
192.05840	1.8
195.06599	2.7
315.07245	1.5
315.25232	2.2
331.06671	2.0
361.29520	7.3
505.33804	9.3
523.34717	11.3
524.34955	1.8
551.87067	1.2
581.12341	1.4
599.79053	1.5
609.16034	2.0
667.39087	100.0
668.39380	17.5
685.40063	52.7
686.40521	10.4
727.41119	27.6
728.41589	4.5
788.77380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
68.97232	0.3
71.01257	0.9
73.02859	0.3
77.73075	0.3
89.02319	0.6
90.16556	0.3
93.03348	1.4
98.20556	0.7
100.42511	0.3
101.02338	0.4
109.02856	0.5
111.00778	2.8
113.02324	0.4
121.02843	2.7
123.81318	0.3
134.03648	0.3
135.04427	2.4
136.94672	0.3
137.02316	0.7
137.05905	0.4
144.75037	0.3
149.02348	20.3
150.02641	0.4
151.00322	0.4
151.03941	0.4
152.01048	4.5
163.03922	3.6
164.04701	18.3
165.01819	0.7
165.05052	0.6
167.03477	0.7
169.04955	2.0
175.07545	0.6
179.03520	0.4
179.05492	0.5
179.07056	8.3
180.04230	0.5
180.07352	0.5
191.03767	0.4
191.05524	1.8
193.01346	11.2
194.01660	0.5
205.08672	1.8
208.03717	30.8
209.04060	1.6
223.06068	100.0
224.06416	4.8
271.02472	0.6
299.01883	0.4
300.02759	1.0
366.84625	0.3
385.11371	21.7
386.11609	2.0
461.91385	0.3
609.14752	0.5
771.20428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70573	0.7
57.03352	0.7
59.01252	3.7
61.98697	4.1
63.02286	0.9
65.00221	2.0
67.01772	1.1
68.95274	0.7
69.30316	0.7
71.01260	2.3
71.57721	0.7
71.58131	1.2
78.95788	1.0
83.01244	1.0
83.04913	1.3
85.02844	1.4
87.00766	1.0
89.02354	0.9
91.05438	1.0
92.45571	0.6
93.03338	1.4
96.95889	3.9
101.02324	1.4
107.01305	2.7
109.02884	2.3
109.06478	1.7
113.02346	1.6
121.02851	2.4
125.02335	0.9
125.09676	0.8
127.36416	0.7
132.44368	0.7
133.02872	2.1
135.04414	6.6
147.00801	1.0
147.04485	1.3
149.02271	0.8
151.00255	7.3
159.01961	0.7
159.04393	1.1
161.04732	0.8
161.06021	2.6
163.00237	0.9
163.11232	1.1
164.00926	0.8
169.01338	1.6
171.04417	1.7
171.10220	3.0
173.04454	1.2
175.00349	0.9
175.03932	1.5
177.05469	1.8
178.99809	2.0
191.05496	4.1
195.06570	0.9
199.03897	4.9
201.01984	3.4
201.11237	1.2
203.03453	1.2
207.10271	2.3
209.11763	8.8
215.03484	2.4
225.11276	2.6
226.02621	1.2
227.03497	5.5
227.12924	1.2
243.02916	6.7
253.09270	2.2
255.03059	3.7
271.02466	73.2
272.02823	6.3
273.03903	0.9
283.02475	1.1
284.03015	1.1
291.19583	0.8
299.01971	100.0
300.02689	40.3
301.03506	25.3
302.03940	0.8
307.19101	1.2
309.20731	3.3
325.20200	3.4
327.21664	2.1
341.06677	0.9
437.12390	0.9
441.19379	0.8
451.84106	0.8
461.07047	1.4
462.07968	6.4
463.08813	36.1
464.09195	3.3
473.25363	1.0
591.23206	1.2
608.22229	1.9
609.23029	14.5
610.23468	2.0
626.75372	0.8
640.41553	0.9
771.28473	32.2
772.28876	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.7
59.01252	13.7
59.83860	1.7
61.98708	8.7
63.02272	9.5
64.99944	1.5
65.00200	17.2
71.01237	6.2
73.02831	1.9
78.95767	1.7
83.01270	15.0
85.02824	4.2
89.02329	2.0
93.03318	4.5
95.01240	1.9
96.95898	10.9
101.02371	3.5
107.00625	2.6
107.01273	29.5
108.02029	2.0
109.02831	4.3
111.00790	1.9
113.02336	2.5
123.04442	2.3
124.01540	11.6
125.02338	21.5
135.04408	4.4
137.02383	1.7
145.02783	1.8
146.03609	3.3
147.04414	8.7
151.00281	100.0
152.01080	27.5
153.01814	6.2
161.66089	1.9
162.03159	2.9
163.00308	3.3
165.01819	5.6
167.03345	2.4
169.01363	21.3
172.05267	1.7
173.04448	2.6
175.03918	2.5
178.99791	93.4
180.00191	2.5
187.03719	1.6
191.05528	10.2
191.06963	1.6
192.00618	2.6
193.01379	3.3
199.03738	1.9
201.09137	2.1
213.01814	2.1
213.09142	8.8
213.11069	2.1
215.03339	1.8
223.04030	1.8
227.03371	2.7
228.04143	3.5
229.04878	2.1
229.12289	2.7
237.05222	2.1
239.03270	2.6
239.10712	3.5
243.03046	3.1
253.04926	3.8
255.02953	3.2
256.03775	2.9
267.10028	3.8
270.05560	2.0
271.02371	5.9
281.04727	2.6
285.03989	1.8
287.12820	4.9
295.02829	2.0
299.01990	11.1
299.12650	3.1
300.02640	16.8
301.03366	3.1
309.04065	4.8
311.01898	4.2
321.03958	4.2
322.04828	3.0
323.05676	2.9
325.03482	5.6
333.04529	1.7
377.10287	2.4
393.09650	2.1
400.09595	2.3
421.20212	2.0
439.21048	5.1
447.17804	2.3
457.80026	1.9
465.19208	4.4
573.21002	7.9
591.22479	21.0
592.22485	2.0
609.23431	78.7
610.23871	9.2
645.26929	2.1
651.24005	3.2
771.28589	89.5
772.28796	15.0
780.60748	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
59.01239	4.6
61.98711	1.8
63.02252	7.6
63.20730	1.4
65.00198	11.3
71.01248	2.3
83.01226	8.1
93.03292	1.6
96.95898	7.8
98.19777	3.9
107.01264	21.2
109.02863	2.7
124.01527	3.3
125.02340	14.7
135.04401	4.6
137.83423	1.4
142.45885	1.5
151.00275	70.3
152.00908	5.3
153.01862	3.1
159.04379	3.6
161.02449	1.6
163.00223	2.0
165.01828	1.5
169.01358	13.4
171.04434	1.3
178.99779	100.0
180.00075	4.1
185.02388	1.7
185.11606	1.3
187.03909	2.1
191.05536	7.3
193.01338	1.8
199.03929	2.9
209.06065	2.0
213.01846	6.3
214.02579	2.0
227.03401	3.9
227.10739	1.8
227.81886	1.8
229.56848	1.7
237.05334	2.0
241.01326	5.6
241.05011	1.8
242.02127	3.5
243.02927	6.4
245.00824	2.3
253.05038	2.2
255.02975	3.9
262.06161	1.3
267.10205	3.5
270.01657	5.1
271.02490	25.5
272.02924	2.0
279.02637	1.6
279.06833	1.6
281.08105	3.5
285.04150	1.5
293.04541	3.9
294.05353	2.0
296.03223	5.0
298.01138	2.3
299.01968	43.1
300.02563	11.9
301.03378	4.3
305.04349	1.7
309.03973	6.4
315.79263	1.5
321.04022	9.2
322.04788	11.6
323.05533	6.4
325.03503	6.6
349.03326	2.9
351.05096	5.8
401.10223	1.8
413.12314	2.8
421.19919	1.8
425.19513	2.1
427.21378	2.4
429.22723	2.3
439.21036	1.8
461.07327	3.3
465.18997	7.5
501.10330	2.4
517.21002	3.0
522.15350	4.8
523.16107	1.9
591.22241	39.4
592.22711	6.0
609.13568	3.0
609.23334	57.0
610.23553	12.4
645.25189	3.5
651.24121	2.8
771.28455	27.2
772.29016	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.2
69.52623	7.0
69.53040	2.1
83.86136	1.1
87.00814	1.2
87.38512	1.0
98.19685	1.2
107.01250	1.2
117.03334	1.5
128.03432	1.1
151.00287	4.3
159.04457	1.6
163.00290	1.4
169.01280	1.3
178.99779	1.9
183.04466	3.5
191.05568	3.2
211.03879	2.8
227.03447	20.8
229.05109	1.3
239.03430	2.2
255.02968	70.7
256.03412	8.7
257.04504	2.1
271.02478	9.2
283.02475	98.9
284.03229	76.7
284.06543	1.5
285.03998	37.2
286.04358	1.9
299.01981	18.9
393.95212	1.3
429.08127	3.9
446.08414	9.3
447.09579	1.8
462.08160	3.6
462.75955	1.2
609.14581	100.0
610.14801	12.8
653.53400	1.1
771.19666	4.9
772.19415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1991
Annotation	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
58.02845	1.0
59.01248	5.4
65.00185	1.3
69.70281	1.1
69.70701	3.6
71.01252	1.5
83.01247	0.9
85.02786	1.0
86.00018	0.6
89.02274	0.6
93.03336	1.4
98.19785	0.7
101.02308	1.0
107.01267	3.0
108.02074	1.8
109.02859	0.7
116.73375	0.6
121.02834	0.8
135.00755	0.7
135.04379	1.2
147.04454	0.7
148.01550	1.6
151.00279	8.6
152.00720	0.9
153.01753	0.9
161.04480	0.6
163.00266	1.0
164.01057	1.0
164.07065	1.3
169.01353	1.3
178.99791	7.8
187.03987	0.7
191.05533	3.2
199.03989	1.4
206.08145	2.2
207.08446	0.9
211.03809	0.9
215.03455	1.7
221.61705	0.6
226.02699	1.3
227.03429	4.0
229.04979	0.7
235.11740	0.8
243.02939	15.3
244.03387	1.3
245.04231	0.6
254.02180	2.3
255.02956	35.0
256.03278	2.3
271.02469	74.6
272.02893	6.6
285.03891	0.8
299.01965	6.6
300.02731	100.0
301.03354	16.4
302.03793	0.8
317.05264	0.6
518.64484	0.7
591.13141	1.1
771.19818	52.6
772.20209	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.4
63.97895	1.7
65.03819	2.7
68.10606	1.7
69.03316	4.7
71.01257	9.6
71.58273	3.0
80.09808	1.6
81.71937	1.7
85.02847	3.7
89.02344	3.8
91.05395	10.9
93.03354	2.6
95.01299	2.3
96.95901	4.6
97.02834	3.0
97.06516	2.5
101.02338	5.9
109.02829	12.7
111.08030	3.9
113.19556	2.1
121.02847	6.4
125.09628	3.1
135.04414	67.3
136.04811	1.9
137.09605	2.6
147.04396	2.5
148.05197	3.5
160.05238	2.8
161.02382	5.4
161.09665	3.7
163.07550	2.8
165.12752	2.5
171.10205	7.6
173.04544	2.1
175.07570	8.0
179.10666	6.8
191.05508	3.3
193.08621	15.7
197.11757	71.5
198.12178	2.4
209.11792	4.5
211.13437	3.2
255.13875	2.9
289.18213	2.5
291.19604	4.3
309.20743	8.5
315.12393	14.7
427.24918	2.4
453.24942	5.8
477.19717	3.3
589.31006	1.9
599.37054	1.9
607.32587	13.5
683.90253	2.3
721.19275	2.1
769.39874	100.0
770.40601	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18453	0.4
59.01245	1.7
61.32031	0.4
65.00202	1.0
66.31297	0.4
66.72041	0.4
69.54739	3.7
71.01244	0.8
78.63366	0.5
80.72590	0.4
83.01270	0.6
90.14974	0.5
93.03387	0.6
96.95890	0.7
107.01281	2.3
109.02835	1.3
119.04904	0.4
121.02840	1.3
133.02843	0.9
135.00809	0.5
149.02319	0.6
151.00267	9.3
159.33620	0.4
163.00217	0.5
165.01930	0.6
169.01361	0.9
171.04416	0.7
175.00323	0.6
175.03862	0.8
178.99861	2.5
185.06004	0.7
185.15889	0.4
187.03864	0.6
191.05533	0.7
199.03969	2.7
201.01897	0.7
211.03879	0.5
215.03404	1.9
226.02681	1.2
227.03394	3.0
243.02972	5.1
254.02090	0.5
255.02934	5.0
271.02475	55.0
272.02850	4.2
273.03885	0.5
285.03979	1.0
290.96536	0.5
297.04306	0.5
299.01962	100.0
300.02646	31.9
300.07736	0.5
301.03510	37.9
302.03909	3.3
313.03522	1.1
343.04507	1.2
364.52927	0.4
421.31131	0.5
462.08054	11.0
463.08682	6.2
478.34561	0.5
609.14587	34.3
610.15106	4.4
628.51160	0.4
701.00732	0.6
738.06970	0.5
771.19861	40.6
772.20306	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.5
57.03321	2.1
58.00475	0.8
59.01252	100.0
60.01587	0.7
60.36582	0.6
60.99215	0.7
61.98690	1.6
67.01759	0.7
69.03323	0.8
71.01254	35.1
71.94535	0.6
72.99190	2.3
73.02815	7.2
75.00757	0.7
79.95607	1.0
80.96392	4.7
81.03362	0.9
83.01250	3.3
84.49491	0.6
85.02825	13.8
87.00771	2.2
89.02315	13.9
93.03354	2.5
94.97961	1.5
95.01269	2.9
96.95876	3.4
97.02850	2.1
99.00764	2.8
101.02320	14.9
101.91326	0.6
102.02673	0.7
107.82307	0.6
108.02073	1.2
109.02863	1.6
111.00788	1.6
111.04370	0.7
111.38839	0.6
111.75500	0.6
113.02321	11.7
119.03403	5.0
121.02857	1.2
124.01537	0.7
125.02387	3.0
126.75974	0.7
129.01888	0.7
131.03426	1.1
135.04445	2.6
137.02377	1.6
143.03410	1.7
149.02353	0.8
151.03912	0.7
152.01102	1.3
153.01808	1.2
159.02892	1.0
161.02403	0.8
161.04445	3.9
164.98589	1.2
165.05569	0.7
167.00218	0.7
173.04497	2.7
177.01878	1.3
179.03326	1.2
179.05544	1.9
191.03845	1.3
191.05492	6.8
191.06847	0.6
192.03078	0.8
201.12932	0.9
225.00746	2.2
241.22148	0.7
245.12039	0.8
271.22714	5.1
283.22778	0.8
285.04077	0.7
313.23926	2.0
341.27145	0.9
359.28027	48.7
360.28476	3.9
367.24951	0.9
401.25562	4.6
415.26993	33.8
416.27185	3.4
433.28064	48.1
434.28259	4.9
443.30338	1.0
447.29810	1.9
457.28113	11.9
458.28571	2.1
475.29166	18.9
476.29434	1.9
517.77972	0.6
563.34064	1.3
579.33429	1.1
607.27618	1.0
665.38013	2.6
683.39105	1.3
725.39734	1.6
769.32581	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.01089	0.3
57.03319	1.0
58.00469	0.4
59.01254	15.9
61.14579	0.3
69.03313	0.4
69.59174	1.9
71.01259	10.6
72.01608	0.3
72.99185	0.8
73.02818	2.6
81.03338	0.4
83.01268	1.9
84.42166	0.3
85.02827	3.7
86.03130	0.3
87.00733	1.0
88.98666	0.4
89.02324	3.9
93.03320	0.4
94.44003	0.3
95.01251	1.1
96.95905	1.5
97.02795	0.4
99.00752	0.9
101.02329	6.5
108.02024	0.6
109.02837	0.6
111.00806	0.4
113.02335	3.4
119.03384	1.1
121.02848	0.3
125.02332	0.8
129.94691	0.3
131.03416	0.4
135.04401	0.7
137.02361	0.6
143.03377	0.7
151.03970	0.4
152.01083	0.5
153.01846	0.4
161.02328	0.4
161.04483	0.6
173.04448	0.4
181.54292	0.3
191.05600	2.4
192.06032	0.3
311.26160	0.3
313.23907	2.0
341.26874	2.9
342.26941	0.4
357.26630	0.8
358.26837	0.8
359.28027	15.3
360.28256	1.7
373.29663	0.4
502.31152	0.5
503.32260	9.7
504.32611	0.9
508.55399	0.3
519.31763	1.5
520.32001	2.5
521.33282	100.0
522.25745	0.6
522.33685	12.9
561.33221	0.4
562.32697	0.3
563.34198	3.3
564.34503	0.3
579.33752	0.4
725.38959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.8
57.03318	1.7
59.01252	100.0
67.41725	0.7
71.01257	19.7
72.99171	0.8
73.02822	5.0
83.01257	2.0
85.02823	11.9
87.00766	2.6
89.02314	4.2
93.03356	0.8
95.01241	2.0
96.95876	1.0
97.02795	1.7
98.20605	2.5
99.00755	1.6
101.02331	9.8
102.79769	0.8
109.77966	0.8
111.00723	2.1
113.02328	11.3
119.03448	1.0
143.03375	1.5
152.01067	1.0
159.02794	1.5
161.04463	3.3
191.05576	1.6
230.40901	1.3
271.22784	5.8
367.24911	1.1
388.36746	0.8
401.25388	5.7
415.27011	45.9
416.27380	5.1
433.28036	57.9
434.28387	4.6
447.29446	2.7
457.28119	19.8
458.28726	1.1
475.29123	26.5
476.29306	2.0
687.79266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
57.03316	0.7
58.00462	0.4
59.01251	14.1
60.68724	0.3
66.13220	0.3
69.03334	0.5
69.35095	0.9
69.35497	2.3
71.01254	9.8
72.99172	0.9
73.02821	3.4
74.88536	0.3
83.01255	1.5
85.02831	3.4
85.39796	0.3
86.03164	0.3
87.00745	1.3
89.02319	2.9
93.03328	0.5
95.01240	0.9
95.58586	0.3
96.95876	0.9
97.02811	0.4
99.00778	0.5
101.02319	6.1
108.02070	0.3
109.02831	0.4
113.02341	3.4
119.03371	1.0
125.02325	1.1
135.04414	0.9
137.02304	0.3
149.04486	0.4
161.04411	0.6
163.83115	0.3
173.04402	0.3
174.29967	0.3
191.05519	1.0
247.89821	0.3
313.23792	2.6
326.05908	0.3
341.26935	2.8
359.28006	15.7
360.28311	1.2
463.77475	0.3
503.32275	10.1
504.32599	1.1
521.33282	100.0
522.33606	12.0
563.34509	2.5
579.33881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.7
59.01247	5.4
61.98707	2.2
65.03830	5.3
67.01776	1.9
71.01240	2.3
78.95781	1.6
91.05406	15.6
93.03334	3.4
96.95886	4.3
97.06418	1.8
98.19781	3.4
108.02074	1.8
109.02835	29.7
116.92744	3.0
121.02840	14.2
121.10118	2.4
125.09584	4.6
135.04417	100.0
136.04764	2.1
139.11160	2.6
147.04401	6.8
162.08536	1.4
163.07471	1.6
171.10170	8.9
175.07530	3.4
193.08664	3.6
195.59123	1.4
197.51608	1.7
199.09808	1.4
201.11180	1.6
211.44678	1.4
239.20120	3.7
247.20668	2.4
273.18689	2.4
275.20258	7.7
291.19617	10.3
293.21204	17.3
297.11310	15.8
309.20706	51.6
309.56882	1.5
310.20932	4.1
315.12390	4.1
323.22192	2.4
373.50140	1.5
471.27686	2.8
485.28818	3.2
589.31714	2.2
607.32782	82.6
608.32935	16.0
649.33069	2.6
769.38031	31.7
770.38287	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.9
57.03309	1.2
58.20959	0.6
59.01255	19.9
70.07739	0.5
71.01253	11.8
72.99185	0.6
73.02820	2.8
83.01257	1.7
85.02824	4.2
87.00758	1.2
89.02316	4.3
93.03368	0.7
95.01284	1.0
96.95886	1.8
99.00760	0.9
99.04475	0.6
101.02331	7.1
107.17619	0.5
109.02808	0.9
111.00744	1.3
113.02332	3.9
119.03400	1.6
121.02802	0.8
124.01528	0.5
125.02316	0.7
135.04434	3.4
136.04781	1.0
137.02330	0.7
139.11176	0.8
143.03389	0.8
149.05969	0.6
161.02417	0.6
173.04486	1.1
177.05521	0.6
191.05579	2.8
208.54593	0.5
230.65855	0.6
311.22318	2.6
327.25510	0.5
337.14633	0.7
338.14911	0.9
339.25525	4.0
340.25671	0.8
355.96729	0.6
357.26456	16.4
358.26743	1.2
431.26321	0.6
440.76938	0.5
456.66107	0.6
501.30768	7.9
502.31110	1.3
518.21210	0.8
519.31750	100.0
520.32111	13.1
559.21387	0.6
561.23090	1.3
561.32690	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47819	0.3
59.01221	0.6
59.10548	0.3
60.99179	16.8
66.25922	0.4
70.87199	0.7
71.01292	0.4
73.71977	0.3
76.21685	0.3
78.95781	0.3
79.64956	0.3
87.00757	2.0
88.00267	3.4
88.98680	100.0
89.02318	11.0
89.99017	1.1
114.97964	0.3
193.90027	0.3
239.05493	0.3
279.23245	0.5
354.98428	0.4
373.00925	0.3
391.17972	0.4
397.13321	0.8
466.96301	0.4
625.27454	0.4
682.92224	0.4
767.27856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96099	2.6
64.70424	1.1
67.18737	1.2
69.03338	1.5
70.01403	5.8
71.01254	11.5
73.02819	1.8
78.98465	9.0
79.95609	15.5
80.96392	100.0
84.97937	1.4
87.00746	3.6
90.11413	1.4
92.01061	1.3
94.97964	22.2
97.02829	2.0
101.02361	3.1
101.38924	1.3
106.97959	2.7
122.97469	4.5
125.02312	4.7
134.97469	6.7
136.98949	2.1
148.99054	7.2
152.98521	8.4
164.98541	19.1
183.13774	3.1
185.88794	1.2
185.98726	1.4
206.99611	3.6
224.15817	1.5
225.00711	28.9
251.38815	1.2
255.23206	3.0
443.24646	1.4
509.16898	3.0
537.27271	2.3
718.56641	1.5
726.65649	1.3
765.40936	55.0
766.41217	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26324	0.5
55.01756	0.6
55.32093	0.4
56.08576	0.5
57.03322	1.0
58.00459	0.9
59.01255	25.0
69.49361	4.4
71.01255	12.1
72.99198	0.8
73.02842	3.6
80.29043	0.6
81.03355	0.5
83.01264	1.9
85.02824	4.8
87.00751	1.2
89.02316	4.3
93.03323	1.0
95.01257	1.6
96.95864	1.1
98.20544	1.0
99.00780	1.0
101.02328	7.0
113.02342	5.6
119.03401	2.2
121.02844	0.6
125.02341	1.2
125.09645	0.8
131.03419	0.5
134.03613	2.3
135.04459	2.6
137.02321	1.2
149.05952	0.6
173.04507	0.8
178.02634	1.5
179.03401	0.7
179.05621	0.8
191.05557	2.9
193.04996	3.6
199.57561	0.5
216.73625	0.5
232.42528	0.5
311.22354	2.1
339.25238	2.8
357.26456	17.4
357.30872	0.9
358.26724	1.2
359.27939	0.9
494.30783	0.5
501.30664	9.6
502.30975	1.5
519.31750	100.0
520.32056	13.7
561.32751	10.2
562.33032	1.8
589.79785	0.6
767.27698	0.6
780.38501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03311	1.9
58.00454	1.4
59.01252	55.3
60.01558	1.0
69.59052	0.8
69.59364	7.9
71.01253	22.9
72.99186	1.0
73.02815	5.7
82.07926	0.9
83.01234	2.2
85.02823	10.2
86.03146	0.9
87.00755	3.8
89.02324	9.6
93.03357	2.0
95.01263	2.3
96.95897	3.3
99.00753	1.2
101.02331	11.8
109.02835	1.5
110.52085	0.9
113.02326	9.0
119.03410	3.1
121.02832	1.5
125.02316	1.4
131.89500	0.9
135.04401	3.3
137.02304	1.3
137.81520	0.9
149.05943	2.7
153.95059	1.1
161.04480	2.2
165.05522	1.6
171.13818	1.0
173.04501	1.0
176.01047	4.3
177.01814	1.0
179.03316	0.9
179.05475	1.1
191.03447	4.6
191.05522	8.3
250.23489	0.9
311.25974	1.9
337.24054	1.4
473.30820	1.3
517.30316	6.3
541.30298	1.1
559.31201	100.0
560.31616	12.6
583.30945	2.4
739.17023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02831	0.4
59.01249	0.8
70.02460	0.6
70.02879	1.3
71.01258	0.5
72.00778	0.6
74.02347	2.4
74.59291	0.4
82.02864	3.2
84.04430	5.8
86.02365	1.0
93.88075	0.3
101.02328	0.5
101.27018	0.4
106.76079	0.3
111.92125	0.4
116.03437	0.5
128.03433	5.1
128.10683	1.5
130.08623	1.2
141.10239	2.0
148.99840	0.3
167.11852	1.6
169.13412	2.0
171.14943	3.6
172.09741	2.0
181.80553	0.3
191.05551	0.9
195.11348	0.5
197.12897	25.2
198.13228	0.9
212.09244	0.3
215.13963	100.0
216.14323	4.8
460.72180	0.3
478.10306	0.3
549.25543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	6.9
57.04306	2.7
59.01252	52.9
61.98693	6.3
62.70870	2.8
67.09574	2.3
69.03339	5.0
71.01250	35.8
72.99199	2.9
73.02808	5.7
75.00765	3.0
81.03293	3.6
83.01270	6.1
85.02832	11.1
87.00757	6.5
89.02322	33.7
93.03345	6.5
95.01258	3.3
95.04910	2.5
96.95918	5.4
97.02827	9.4
97.06441	4.5
99.00790	3.3
101.02322	24.2
109.06531	3.6
113.02351	13.2
116.03967	2.6
119.03407	11.3
121.02815	3.3
123.04433	6.9
125.02322	10.5
125.09656	5.5
135.04439	7.6
137.02400	3.2
137.09587	5.1
143.03380	4.5
161.04474	6.3
163.11176	6.4
173.04503	3.9
176.18590	2.7
179.05574	6.8
181.12289	3.9
185.11787	8.6
191.05550	14.7
191.14346	8.8
207.10199	8.1
209.11806	31.4
221.06721	4.1
225.11253	5.9
229.58781	3.1
235.08223	10.2
237.11278	3.2
245.19112	18.4
246.19197	2.6
253.09636	2.7
263.20114	7.2
271.16885	3.0
287.07495	3.3
289.18094	86.0
290.18262	7.7
303.16028	3.1
305.08801	2.7
305.55881	2.8
307.19150	100.0
308.19540	7.9
397.13455	54.4
415.14563	50.7
416.14972	5.9
605.35583	3.6
705.33380	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51488	0.4
59.01252	0.8
60.99179	16.7
72.11931	0.5
87.00755	2.5
88.00282	3.2
88.98679	100.0
89.01756	0.7
89.02315	14.2
89.99026	0.6
115.56149	0.4
166.50363	0.4
220.14250	0.5
265.67743	0.5
364.93771	0.5
390.76886	0.6
397.13382	1.0
452.01022	0.5
537.13849	0.5
771.72711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
60.99180	17.0
71.01258	0.6
87.00763	4.8
88.00277	4.8
88.01101	0.8
88.98682	100.0
89.02319	30.2
89.99020	0.6
101.02351	0.6
117.98406	0.4
186.85045	0.4
227.02016	0.4
229.29921	0.5
235.08292	0.5
277.21725	1.7
328.63843	0.4
397.13565	2.1
415.14624	0.6
651.85559	0.4
759.56757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03328	1.5
58.00452	1.5
59.01252	43.8
65.03837	2.5
68.78854	1.1
69.42915	1.4
69.43320	7.4
71.01261	20.9
72.99169	2.3
73.02818	9.0
81.03349	0.9
83.01274	3.2
85.02835	5.6
87.00794	1.5
89.02322	10.6
91.05410	12.2
93.03352	4.3
95.01274	1.0
96.95889	1.5
101.02334	13.4
108.02079	1.8
109.02839	14.1
113.02317	7.1
119.03388	4.2
121.02842	10.5
123.04434	1.0
123.05293	1.0
131.03397	0.9
134.03624	2.8
135.04416	100.0
136.04779	3.6
137.02338	1.4
147.04401	3.0
149.05988	7.2
161.02370	1.0
175.15231	0.9
177.09172	1.4
189.09122	2.9
191.05525	2.6
200.08391	3.5
201.09192	4.1
203.10715	8.3
215.10713	14.5
216.11069	2.3
337.14493	29.1
338.14728	2.3
339.15854	4.0
355.15311	1.3
499.19730	2.4
501.21738	2.4
517.20801	66.3
517.29572	3.2
518.20880	6.0
541.21130	4.4
543.22083	2.5
559.21802	27.2
559.31201	23.0
560.22076	3.4
560.31268	1.8
721.26935	8.5
722.27313	2.1
752.14410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.8
71.40028	0.2
84.94990	0.5
85.00343	0.2
86.02340	0.5
87.00754	100.0
88.00282	5.0
88.01071	1.0
89.02360	0.3
89.83452	0.2
98.19762	0.5
100.60506	0.2
101.02308	0.3
118.45061	0.2
136.73941	0.2
182.76895	0.2
237.50899	0.2
277.21756	0.9
397.13498	1.3
415.14328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01253	41.2
60.80989	0.9
71.01256	23.1
72.99184	1.6
73.02821	33.3
79.05407	2.0
83.01260	11.2
85.02837	4.5
87.00729	1.7
89.02321	5.6
91.05405	4.5
93.03369	5.6
96.95879	1.2
101.02330	29.7
107.04925	17.8
109.02824	2.2
113.02336	7.2
118.96165	1.0
119.03393	2.9
119.04911	1.5
121.02843	1.6
123.04381	1.6
128.27116	1.0
131.03424	2.0
131.08531	2.3
133.02837	3.0
135.04424	35.1
137.02324	2.0
143.03392	2.9
149.04475	3.8
155.03452	1.6
157.06393	1.4
159.04427	1.9
159.47464	1.1
161.02348	20.7
161.04401	5.3
163.03914	1.1
173.04463	9.7
175.07571	100.0
176.01019	1.1
176.07928	5.9
179.03444	2.6
191.03654	1.6
191.05525	10.8
193.08585	1.7
201.05634	1.4
205.12320	1.7
219.06726	1.3
221.06642	1.2
249.11275	1.5
319.09824	8.2
320.09790	1.3
337.10696	8.3
355.14240	1.1
356.85666	0.9
365.60382	1.3
397.09879	2.0
397.15039	34.5
398.15237	2.1
414.83368	1.1
423.16873	1.4
429.17645	1.7
499.16199	8.5
500.16281	1.4
559.18256	6.4
603.22827	7.7
604.23523	2.0
721.23438	13.9
722.23315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03321	2.3
58.00482	0.7
58.62772	0.5
59.01253	14.9
70.10721	0.5
71.01253	15.3
72.99189	1.2
73.02816	5.0
83.01266	2.7
84.08911	0.5
85.02829	6.7
87.00751	0.7
89.02326	5.9
91.09499	0.5
95.01285	0.8
96.95903	0.9
99.00766	1.4
101.02322	13.0
101.76632	0.5
113.02338	6.6
119.03387	2.1
122.05936	0.7
123.08020	2.6
135.04427	0.6
141.93306	0.5
145.15059	0.6
160.03995	1.0
161.04594	0.6
173.04535	0.7
177.12704	3.1
189.04198	0.9
191.05557	1.9
195.06650	0.9
195.13867	1.6
199.74979	0.5
206.36597	0.6
221.06705	0.8
221.11794	3.5
251.40530	0.5
267.11264	0.6
297.04590	0.6
311.10281	0.5
331.13156	0.9
343.12738	1.0
361.13977	1.4
401.18143	100.0
402.18506	8.8
584.14099	2.0
637.14441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00439	0.7
59.01252	100.0
60.01587	2.3
60.02957	0.6
61.01691	1.5
69.03341	0.8
71.01251	21.0
72.99181	1.0
73.02821	15.5
75.00733	0.7
83.01244	4.4
85.02807	5.5
86.03193	0.9
87.00774	1.3
89.02327	3.9
93.03313	3.8
95.01248	0.8
99.00789	1.3
99.67355	0.8
101.02322	18.1
108.02090	1.5
109.02856	1.2
111.04443	1.4
113.02327	7.6
119.03378	1.7
121.02850	13.8
121.03671	1.1
123.04391	3.6
125.02433	1.1
139.03932	4.3
143.03418	1.7
149.04517	1.8
150.03185	0.7
151.03954	1.1
159.04460	0.7
161.04445	5.7
169.14442	0.7
173.97404	0.8
175.07556	1.6
177.01817	0.7
191.05544	3.9
203.05573	1.0
221.06744	1.2
223.13298	1.0
225.05542	1.5
243.06578	9.4
250.33577	0.7
269.10297	6.4
270.10864	0.9
311.11346	3.2
312.11597	0.7
361.11481	1.1
403.19839	2.0
405.11987	1.3
405.21286	1.8
457.77264	0.8
581.22675	1.0
761.27936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61515	2.6
57.03309	5.1
57.42589	2.7
58.00454	4.3
59.01252	82.7
71.00891	4.1
71.01255	43.7
71.58026	4.0
72.99186	4.5
73.02804	9.4
81.03362	2.5
83.01263	8.9
85.02834	16.9
87.00733	3.6
87.91262	2.4
89.02334	20.0
93.03319	8.2
95.01253	3.8
96.95895	4.9
99.04399	21.2
101.02335	18.8
108.02071	14.3
109.02851	16.4
113.02316	13.3
119.03387	4.7
119.04901	3.2
121.02823	6.8
121.06507	3.9
122.03626	44.8
123.04424	48.3
133.02881	3.8
134.03688	2.8
135.04388	3.7
137.02306	17.1
149.02374	7.9
149.05972	8.8
151.03894	15.1
152.01007	4.4
153.01804	5.5
161.04480	3.8
165.05453	3.5
167.03400	7.2
173.04492	3.3
179.05438	3.1
189.12646	4.1
191.05495	11.5
196.48190	2.9
207.13821	11.5
209.11761	39.4
209.13541	4.4
231.33908	2.5
243.23474	3.2
251.12744	4.4
267.08679	6.3
269.13858	4.1
273.32666	2.9
371.09811	3.9
519.22632	5.5
537.23389	28.7
563.21240	4.7
581.22290	38.1
582.23151	5.3
601.81226	2.7
731.81024	3.1
761.28754	100.0
762.28784	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03196	1.3
59.01252	16.5
65.91006	1.8
66.95769	1.5
68.95496	1.9
70.18417	3.2
70.18829	5.9
71.01259	16.6
73.02817	4.2
75.00727	1.4
82.95290	84.8
83.01268	1.9
83.02382	71.0
84.00784	100.0
84.01904	6.0
84.02708	4.3
84.94996	40.4
85.00316	7.6
85.02814	3.3
87.00745	3.1
89.02320	13.7
97.02835	2.7
101.02329	14.9
102.05354	1.8
113.02322	6.6
117.52427	1.8
117.65704	1.4
119.03423	3.9
125.02314	4.5
125.23708	1.4
143.03400	3.0
161.04443	3.7
164.03772	1.5
174.36133	1.5
179.05530	4.4
188.61353	1.5
235.08191	6.8
263.07538	1.8
277.18918	3.0
277.21738	37.4
277.24677	1.2
278.21976	3.3
288.08490	1.6
305.08728	2.7
340.55286	1.6
397.13504	44.0
398.13834	4.6
415.14511	22.0
566.55157	1.6
582.95697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84279	4.3
54.51142	4.4
57.28683	4.1
71.58443	7.3
71.58830	5.5
78.95776	8.9
171.10422	4.6
174.01608	29.9
179.65347	4.3
209.11789	100.0
210.12108	5.8
227.12886	12.9
253.09312	6.8
260.47202	4.7
277.21753	59.4
311.16843	6.6
440.10425	5.0
465.57574	5.3
656.07599	4.9
759.40906	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87581	6.8
71.58646	8.8
78.04408	6.0
78.95758	23.3
96.27535	6.9
97.81007	8.7
100.82626	6.4
113.73695	6.7
152.99469	10.6
165.34416	7.2
174.01622	38.4
175.32637	7.2
209.11745	63.9
227.12865	12.7
277.21692	100.0
279.23450	7.0
391.36664	6.8
581.91016	8.0
759.42194	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04680	2.0
57.98226	2.1
59.01252	20.6
61.98699	2.9
64.00265	2.1
71.01257	17.3
71.57578	2.6
72.99186	3.0
75.27405	2.0
77.16896	2.2
78.42353	2.2
82.95286	100.0
83.01267	3.6
83.02379	32.7
83.92777	1.8
84.00784	80.2
84.01893	4.2
84.02712	3.4
84.94994	41.3
85.00307	5.8
85.02828	4.5
87.00764	3.3
89.01850	2.3
89.02309	16.1
97.02824	3.6
101.02327	15.9
113.02316	7.2
119.03410	5.5
125.02321	6.6
143.03401	4.9
148.05212	2.7
155.35233	2.1
161.04445	2.6
179.05429	3.4
208.76337	2.0
235.08130	7.8
253.09286	3.2
277.21732	41.9
278.21912	4.4
287.07965	2.6
397.13510	52.2
398.13666	4.6
414.77792	2.4
415.14569	16.7
416.14633	2.6
597.20587	2.2
700.32721	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06279	0.6
55.57042	0.6
57.31084	0.5
59.01258	4.1
65.94926	0.6
68.35027	0.6
69.43172	2.7
69.43596	3.0
71.01254	1.4
73.02831	1.3
79.29883	0.7
93.03360	1.2
96.89175	0.7
96.95887	2.4
111.08041	1.2
119.38968	0.6
135.04433	3.3
147.04466	1.8
151.00293	0.8
151.07565	0.9
161.05995	2.6
165.05487	4.4
165.10658	1.0
165.12769	22.5
166.13055	1.2
167.16029	0.6
177.01988	0.6
179.07129	1.2
183.13828	90.6
184.14163	4.6
191.05582	3.3
191.07063	0.8
203.10698	5.0
209.11746	1.6
215.10735	1.0
227.12842	100.0
228.13231	5.2
299.01880	0.9
369.17203	4.1
531.22437	1.4
715.42560	2.1
759.29913	2.3
760.29895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82444	7.5
58.78170	7.4
59.75533	7.0
61.98707	13.9
69.24328	100.0
71.38202	7.0
78.95782	14.3
82.13918	8.2
82.30670	7.5
88.18944	7.8
90.90928	7.9
145.03148	7.3
152.99532	8.7
159.80589	8.7
167.31424	9.2
168.55247	8.8
199.13307	8.4
207.10225	48.2
225.11235	12.5
227.66576	8.0
275.16864	8.6
277.21658	37.1
352.23529	7.7
404.06232	8.8
461.20013	9.4
550.83093	10.4
591.41608	10.1
614.19061	8.8
721.41852	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25836	2.3
57.82355	1.8
59.01248	9.7
69.45884	18.9
69.86491	2.0
71.01252	100.0
75.52986	1.9
78.95777	9.1
89.02340	3.0
101.02331	3.8
109.06429	3.1
113.02269	2.3
127.11119	3.1
152.99448	3.3
171.10184	68.4
172.10526	3.5
199.09702	5.5
201.11314	10.2
207.10164	10.2
225.11256	8.5
235.08318	3.9
253.09264	7.3
277.21732	87.6
278.22000	5.8
288.50992	2.3
432.76260	2.1
470.40799	2.5
535.54205	2.6
538.30261	2.1
721.41357	3.8
739.42474	3.1
757.43750	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32191	38.1
71.50825	87.5
78.95768	91.1
125.65556	47.9
139.03986	40.8
152.99481	65.1
178.04263	39.5
191.05469	46.0
225.11142	58.7
277.21613	100.0
590.52936	46.6
757.39551	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
64.73760	2.1
71.01248	15.7
73.02805	6.6
80.06154	1.8
83.01289	3.5
85.02804	6.4
89.02327	3.8
101.02326	11.6
113.02314	7.7
119.03452	2.2
121.02769	2.3
135.04382	3.3
154.41399	2.0
154.73232	2.0
161.04419	5.0
191.05557	9.4
221.11859	2.7
230.72908	3.4
230.74942	2.5
269.10260	10.0
311.11258	4.2
401.18182	35.8
402.18289	3.3
432.55838	2.4
587.86395	2.0
737.28430	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
58.00466	1.7
58.10477	0.9
59.01249	31.3
65.80499	1.1
69.03344	1.4
69.63758	8.1
71.01258	18.1
72.99171	3.6
73.02818	6.8
81.03352	1.1
83.01253	4.3
85.02818	7.7
87.00756	2.5
89.02320	11.4
93.03343	6.0
95.01270	2.2
95.99048	1.1
96.95882	6.1
98.12180	1.3
99.04391	4.7
101.02319	10.6
108.02045	27.8
109.02848	14.7
111.00761	1.6
113.02311	6.6
116.92762	2.4
118.98866	1.1
119.03424	5.3
119.04915	100.0
120.05258	4.2
121.02854	3.3
123.00751	1.9
123.04404	3.6
125.02312	2.2
133.02837	2.6
134.28949	1.1
135.04433	7.7
137.02286	2.5
139.03851	1.9
143.03433	1.1
149.02336	2.2
151.00279	1.2
151.03949	1.8
152.01054	26.9
153.01857	15.0
153.05443	1.9
159.04269	1.1
160.74783	1.0
161.02385	5.2
161.04477	3.5
163.03922	60.0
164.04295	1.6
165.01810	2.5
165.05510	2.9
167.03426	1.2
173.04460	4.9
177.01845	14.4
179.03438	2.3
179.05518	2.6
181.04933	3.4
191.05536	13.6
195.06538	2.2
207.13843	2.7
209.11771	9.4
215.08173	1.9
225.14842	1.5
233.11679	1.9
251.12872	3.6
257.09286	3.0
269.14008	6.7
315.07217	38.7
316.07590	3.3
317.13846	1.4
325.09216	1.7
339.07202	19.7
362.06036	1.1
367.10254	1.9
383.06146	14.1
389.18188	1.1
395.17062	1.3
401.07288	9.7
413.18066	4.7
431.19205	2.6
464.00851	1.2
486.66132	1.2
535.21423	1.3
559.21613	2.2
577.22888	30.9
578.23376	3.6
593.24567	1.8
595.24011	1.6
757.29102	21.4
758.29370	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01246	7.4
69.03300	0.9
71.01264	3.7
71.57475	0.7
71.57887	1.0
78.95783	3.8
83.01283	0.6
83.81792	0.6
85.02823	1.6
87.00769	1.2
89.02316	2.6
96.95882	1.5
99.00755	0.8
101.02328	3.6
107.08552	0.9
111.08022	1.8
113.02290	1.5
139.11139	3.3
141.12770	0.9
152.99495	2.8
165.12761	7.7
167.10739	1.6
183.13831	39.0
184.14162	2.3
185.11803	1.0
191.05630	1.4
199.13364	1.7
201.11320	1.4
209.11760	1.6
213.11263	1.6
214.11935	1.2
225.11235	0.9
227.12840	7.0
235.08174	1.3
240.13684	1.3
242.01883	0.6
247.20616	1.9
253.09250	2.6
261.73157	0.9
273.18701	0.9
291.19662	12.7
292.20135	0.9
309.20703	100.0
310.21088	7.0
445.20358	4.2
463.21863	29.6
464.21994	2.9
479.21152	1.1
501.32077	1.8
502.32663	0.7
607.34363	0.8
737.40906	4.5
738.42206	0.9
755.42151	6.8
756.42664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77249	0.5
57.03317	0.6
58.00459	0.5
59.01249	9.4
67.01777	0.9
69.03301	0.6
70.55535	0.5
70.96447	0.6
70.96770	1.3
71.01246	3.6
73.02843	1.1
78.95769	0.6
80.02538	0.6
81.03338	1.6
83.04890	4.4
84.02031	1.3
85.02838	1.8
87.00713	0.8
89.02332	3.0
91.05409	1.2
93.03340	0.8
96.95879	2.1
97.02826	1.6
101.02321	4.5
107.04819	0.6
109.02864	1.4
109.06492	0.7
111.08047	3.9
113.02332	2.3
121.02837	3.9
125.09676	0.6
135.04422	10.6
135.07993	0.6
137.09662	0.9
146.28664	0.5
147.04439	2.8
151.00278	1.2
151.11137	0.9
153.12665	0.7
161.04555	1.3
161.05991	4.5
163.11218	4.4
165.05562	3.1
165.12782	3.6
169.12242	1.2
171.10150	3.4
177.02054	0.6
179.07072	1.4
181.12260	1.5
183.13896	1.0
191.05573	0.8
191.07149	0.7
191.10684	1.0
195.13867	0.8
197.11771	23.0
198.12137	1.3
199.13376	2.1
201.11174	0.8
209.11774	100.0
210.12105	4.4
211.13358	4.4
225.11290	1.6
227.10725	1.1
227.12833	13.7
228.13104	0.8
235.08249	2.6
243.03049	0.8
247.20786	0.7
249.75052	0.6
251.16402	0.5
253.09280	12.5
254.09464	0.7
255.03023	1.3
256.03571	0.6
263.20187	1.1
271.02466	3.5
281.15466	0.7
283.09845	1.9
291.19666	15.9
292.20041	2.0
293.21133	2.7
299.01920	5.4
300.02597	3.0
301.03607	2.7
301.10730	1.6
309.20715	36.1
310.21005	3.1
325.03653	1.3
407.11258	1.0
421.20389	1.0
462.08011	1.7
545.29700	0.6
593.23285	4.6
593.31488	2.4
594.24329	1.1
755.29205	2.3
755.38867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01246	7.4
69.03300	0.9
71.01264	3.7
71.57475	0.7
71.57887	1.0
78.95783	3.8
83.01283	0.6
83.81792	0.6
85.02823	1.6
87.00769	1.2
89.02316	2.6
96.95882	1.5
99.00755	0.8
101.02328	3.6
107.08552	0.9
111.08022	1.8
113.02290	1.5
139.11139	3.3
141.12770	0.9
152.99495	2.8
165.12761	7.7
167.10739	1.6
183.13831	39.0
184.14162	2.3
185.11803	1.0
191.05630	1.4
199.13364	1.7
201.11320	1.4
209.11760	1.6
213.11263	1.6
214.11935	1.2
225.11235	0.9
227.12840	7.0
235.08174	1.3
240.13684	1.3
242.01883	0.6
247.20616	1.9
253.09250	2.6
261.73157	0.9
273.18701	0.9
291.19662	12.7
292.20135	0.9
309.20703	100.0
310.21088	7.0
445.20358	4.2
463.21863	29.6
464.21994	2.9
479.21152	1.1
501.32077	1.8
502.32663	0.7
607.34363	0.8
737.40906	4.5
738.42206	0.9
755.42151	6.8
756.42664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.5
57.03324	2.8
59.01254	97.8
60.71246	1.6
61.98696	7.1
67.01805	1.6
69.03327	1.9
69.45274	7.4
69.45700	8.1
71.01255	65.0
72.99162	4.7
73.02811	13.8
75.00753	1.9
83.01268	5.7
85.02827	26.6
86.39891	1.7
87.00764	7.9
89.02321	22.7
93.03350	8.0
95.01265	6.9
96.95898	11.0
97.02826	3.6
99.00767	5.2
101.02327	34.8
108.02068	6.6
109.02843	5.5
111.00739	2.1
113.02328	26.6
119.03384	7.8
119.04814	1.8
121.02857	2.2
124.01532	1.7
125.02325	5.8
133.02824	2.9
135.04399	7.4
137.02324	6.2
143.03401	4.9
152.01007	4.0
153.01784	3.1
155.03418	1.7
155.17023	1.7
159.02998	1.9
161.02368	4.7
161.04459	6.5
173.04497	5.8
177.01761	2.1
179.03394	2.9
179.05602	2.3
191.05527	17.6
192.05927	2.0
226.08075	2.1
227.42809	1.7
284.02570	1.8
345.26324	2.1
345.30020	5.1
355.25153	1.9
489.34329	5.1
507.35272	9.9
565.32025	2.0
651.39624	100.0
652.39990	12.4
669.40588	68.3
670.40826	11.7
711.41711	23.1
712.42010	3.0
755.38861	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.4
57.03333	3.7
59.01254	81.2
61.98701	3.9
69.34710	8.8
69.35144	8.2
71.01254	47.7
71.29700	2.0
72.99194	3.4
73.02816	15.9
83.01269	7.5
85.02824	24.9
87.00771	6.0
89.02326	15.2
93.03344	5.6
95.01282	6.5
96.95888	6.6
97.02847	3.2
98.19836	3.6
99.00768	5.4
99.04341	1.8
101.02317	25.8
102.02650	2.9
108.02117	1.9
109.02834	4.5
111.00789	2.9
112.01524	2.9
113.02319	26.2
119.03383	4.9
119.04974	4.0
124.01539	2.0
125.02339	6.4
135.04396	11.5
137.02362	6.1
138.81517	1.6
143.03426	3.0
149.02350	1.9
151.03896	2.1
152.01080	3.0
153.01855	4.4
155.03423	2.3
161.02399	3.2
161.04547	4.1
163.03912	3.2
171.22398	2.2
173.04480	3.1
181.71178	2.0
191.03998	1.9
191.05536	14.5
315.07159	2.3
315.12540	2.3
345.30066	3.7
355.88507	2.1
469.65082	2.5
489.34247	6.9
507.35468	8.5
549.33075	3.8
651.39642	100.0
652.39832	16.7
669.40692	58.6
670.41278	7.5
711.42334	15.9
712.42572	2.8
715.63544	2.4
755.34924	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.5
58.00480	2.1
59.01252	83.8
65.00210	2.5
71.01257	62.4
71.58625	2.5
72.49098	2.1
72.99187	6.3
73.02811	14.5
81.95524	1.9
83.01279	7.6
85.02821	27.4
87.00748	8.8
88.98717	2.0
89.02322	30.7
93.03338	4.8
95.01289	6.7
96.95895	13.8
97.02852	3.7
101.02325	32.5
107.01254	3.2
109.02852	4.9
111.00790	3.2
113.02331	25.7
114.11900	1.8
119.03386	12.3
121.02843	5.4
124.01524	2.4
125.02338	6.7
135.04433	4.0
137.02365	3.0
143.03363	3.8
151.00296	14.3
152.01062	2.7
153.01816	2.9
161.04471	7.7
169.01334	2.4
173.04480	4.8
178.99808	8.6
179.03448	3.6
179.05496	6.8
191.05527	17.9
197.11993	2.1
209.04456	2.8
209.11806	2.6
211.04016	3.3
215.12851	4.6
243.02969	4.6
244.03139	2.3
255.02956	21.5
271.02499	37.3
272.02942	3.8
283.02579	4.0
300.02744	43.6
301.03467	40.8
302.04218	2.9
337.08716	2.2
345.30139	3.0
473.90073	2.4
489.34497	13.0
507.35635	11.1
593.24194	8.8
651.39655	100.0
652.39850	16.2
669.40668	61.8
670.41187	10.0
695.39282	2.9
711.41693	14.2
712.41803	5.4
755.29150	32.8
756.29474	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38302	1.5
55.01752	4.7
57.03311	4.0
58.00453	1.5
59.01252	72.2
69.48627	2.7
69.49033	12.3
71.01257	46.1
72.53862	1.6
72.99178	1.8
73.02826	12.2
76.72353	1.8
83.01268	7.3
85.02818	25.1
87.00748	5.0
89.02328	15.1
95.01271	6.2
97.02813	3.0
99.00749	4.3
101.02328	29.9
111.00786	2.4
113.02325	22.2
119.03367	2.5
124.01503	2.2
125.02329	5.5
143.03419	3.4
161.04491	5.1
191.05434	3.4
294.15765	2.2
345.30045	3.5
489.34177	8.0
495.84042	2.1
507.35535	12.0
508.34836	2.4
581.81470	2.1
651.39600	100.0
652.39789	20.1
655.13879	2.1
669.40680	65.2
670.41266	10.5
711.41797	17.1
712.41809	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.8
58.00483	2.2
59.01252	79.5
62.47623	1.4
63.29005	1.4
69.03316	3.6
69.37399	12.7
70.24916	1.5
71.01251	54.0
72.99188	3.1
73.02817	8.1
75.00733	1.6
81.03355	1.4
83.01253	6.2
83.27467	1.5
85.02825	22.9
87.00735	5.2
89.02316	29.8
95.01263	7.2
96.95917	9.1
97.02813	2.0
99.00742	2.8
101.02329	27.8
108.02032	2.1
109.02825	5.6
111.00739	1.8
113.02338	29.0
119.03395	9.2
123.04382	1.6
124.01569	1.6
125.02335	4.2
131.03355	1.7
135.04410	11.3
143.03397	4.1
147.04379	2.6
159.04431	5.0
161.02338	1.7
161.04463	4.7
161.05937	2.1
173.05945	3.4
176.04666	3.3
179.03441	2.6
179.05482	3.5
189.09024	1.4
191.05531	6.6
200.04642	1.6
201.12801	1.8
205.08582	5.2
215.07082	4.4
217.08716	10.6
229.08798	3.7
241.21632	2.4
245.11909	2.1
255.10277	4.7
292.07834	1.6
321.11194	2.9
345.30283	3.6
347.12784	2.1
365.13876	18.1
366.14145	2.6
430.05396	1.6
488.70560	1.5
489.34311	9.5
499.28903	1.7
507.09967	1.6
507.35428	12.2
577.36255	1.7
651.39612	100.0
652.40125	16.2
655.86200	1.9
669.40674	67.3
670.40540	9.8
711.41864	19.7
712.41925	3.5
726.73474	1.5
749.98816	1.7
755.33325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.6
57.02919	1.2
57.03324	5.3
58.00465	1.9
59.01251	90.7
69.29272	9.9
69.29697	4.5
71.01254	53.5
72.99187	3.2
73.02816	11.1
81.84853	1.2
83.01260	7.1
85.02828	22.6
87.00761	5.2
89.02324	23.6
95.01250	7.3
96.95867	2.1
97.02835	2.7
98.19810	2.0
99.00772	3.6
101.02319	29.5
112.01500	1.8
113.02334	24.0
119.03397	9.3
120.13896	1.4
124.01579	3.7
125.02373	4.0
143.03381	3.6
161.04445	3.6
179.05589	2.1
191.05507	2.2
241.21658	3.1
251.76205	1.5
255.49225	1.3
285.04007	2.2
296.10071	1.4
303.26779	1.3
345.29919	6.3
413.08139	1.3
489.34534	10.4
507.35333	11.6
576.33008	1.4
586.42792	1.6
651.39569	100.0
652.39844	14.6
669.40643	63.7
670.40735	9.5
711.41809	23.4
712.42139	3.8
788.98364	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35088	1.5
59.01243	4.1
61.98689	3.8
65.00187	6.0
77.86410	1.6
83.01258	2.1
88.34109	1.5
93.03323	4.2
96.95880	7.3
107.01261	6.8
109.02842	4.5
121.02842	22.1
123.04428	1.7
139.03912	2.8
148.01538	3.3
149.02335	7.1
151.00269	17.0
159.04520	2.4
161.05910	2.1
163.00256	4.6
164.01082	2.2
169.01314	2.3
171.07939	1.9
175.00276	4.3
178.99725	8.7
187.04008	2.1
189.01888	4.4
189.09148	4.8
191.05498	1.8
202.99734	2.9
203.03409	3.4
209.11751	4.4
213.09116	3.6
226.02553	2.0
227.03445	5.4
229.04956	4.6
239.03680	2.0
243.02875	4.7
254.02226	2.3
255.02951	20.3
255.06621	2.9
256.03622	2.9
257.08185	19.0
271.02475	32.8
272.03195	3.1
281.04410	2.0
283.02490	3.8
284.03268	7.2
285.03983	7.9
285.07608	4.8
297.11182	2.0
299.01950	5.9
300.02744	35.4
301.03513	42.9
302.03552	2.1
302.11905	1.8
310.38589	1.8
313.03500	5.5
315.12534	2.9
325.03400	3.0
339.05206	2.0
353.03046	2.8
359.11319	5.6
373.12756	3.4
377.06406	2.0
399.21677	4.1
405.09814	6.9
407.11325	32.1
408.12039	3.4
421.12985	2.3
425.20215	2.9
443.20886	9.3
447.09341	2.5
471.20023	3.0
497.14545	2.9
498.14813	2.4
500.72052	2.0
509.14426	3.6
523.15839	2.1
575.22778	5.0
592.22986	11.7
593.23828	94.5
594.24170	14.9
619.40973	2.0
635.25043	3.5
755.29187	100.0
756.29584	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.0
61.98701	0.6
71.01250	1.8
71.49799	0.7
78.91762	7.8
78.95776	15.4
80.63049	0.4
83.04862	0.8
85.02821	0.8
89.02316	1.0
93.03335	1.0
96.96857	2.1
101.02318	1.3
107.01255	1.0
109.02890	0.8
111.08032	0.7
113.02303	0.6
121.02838	0.8
121.05736	0.5
125.02341	0.4
133.02850	1.0
135.04428	1.1
138.55835	0.5
150.97916	1.5
151.00290	2.4
152.99489	9.4
163.11269	0.6
165.12740	1.8
171.00601	0.7
171.04382	1.4
171.10153	1.6
175.03909	0.8
178.99733	0.6
183.12172	0.8
183.13840	16.4
187.03990	0.7
197.11809	5.3
199.04001	4.1
201.01894	1.3
203.03572	0.6
203.08939	0.5
209.11751	2.9
210.12096	1.0
215.03448	1.9
224.07774	0.5
225.11082	0.6
226.02626	0.9
227.03423	2.4
227.12938	1.7
235.08159	0.7
241.01198	1.3
242.02211	0.5
243.02991	3.4
253.09317	2.5
255.03099	1.6
271.02478	46.4
271.77399	0.6
272.02875	3.3
277.21802	2.9
291.19708	1.9
293.21338	1.8
299.01965	100.0
300.02563	14.5
301.03452	4.0
307.19107	0.6
309.20642	5.8
393.09573	0.8
407.11081	0.6
443.20612	0.6
462.08044	37.6
463.08395	4.3
463.21860	0.8
471.20346	0.6
477.10251	1.3
575.24750	1.0
592.23102	1.0
593.23657	6.3
594.24567	1.2
632.34381	0.5
755.30890	10.1
755.42377	11.5
756.31152	2.1
756.43488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01247	3.0
59.96180	0.5
65.39014	0.4
69.03329	0.8
69.41038	2.6
69.41443	1.2
71.01263	4.3
73.02823	1.3
81.03334	0.6
81.60239	0.4
83.01255	1.1
83.04868	0.5
85.02827	4.4
87.58621	0.4
89.02310	1.3
93.03340	2.3
95.01263	1.8
96.95922	0.5
97.02824	0.8
99.00771	0.5
101.02348	2.3
107.01252	0.5
107.04906	0.5
108.02052	68.5
109.02853	28.0
110.03157	1.2
113.02309	2.2
121.02833	2.8
123.00780	1.4
123.04389	1.6
125.02347	2.0
132.02084	0.7
133.02835	4.2
133.21623	0.4
135.00766	3.6
135.04420	2.1
137.02350	0.9
137.05934	1.3
139.03902	0.6
141.69618	0.4
149.02342	0.6
151.03909	2.8
152.01057	74.9
153.01852	32.8
154.02194	1.5
161.02431	0.6
163.03951	2.5
165.01900	3.3
173.04482	0.9
176.01103	1.4
177.01851	32.5
178.02136	2.2
179.03473	1.2
181.04980	1.3
182.70586	0.4
189.01825	0.6
191.03514	0.7
191.05540	2.9
195.02869	1.0
290.64304	0.5
314.70911	0.4
315.07220	100.0
316.07526	6.9
317.07672	1.1
339.07187	53.2
340.07617	4.5
341.07462	0.6
357.08228	0.9
383.06189	46.4
384.06516	4.3
385.06808	0.6
401.07217	24.1
402.07498	2.1
437.59991	0.5
575.21631	0.6
755.27521	8.0
756.28186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2038
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
56.06752	0.5
56.14099	0.4
56.86187	0.4
59.01241	1.1
63.02288	0.8
65.00193	0.6
71.57926	1.0
79.13876	0.5
83.01258	1.2
85.02812	0.6
93.03336	1.8
96.95883	0.9
101.83707	0.5
107.01256	1.2
109.02806	0.7
116.95692	0.4
117.03320	1.1
118.80296	0.5
119.04924	0.6
123.00733	0.6
132.45229	0.4
135.00778	0.6
135.04449	0.6
143.04955	0.6
151.00327	2.3
153.01868	0.8
154.04132	0.7
159.04405	1.0
163.00262	1.8
169.01338	1.0
169.06488	1.1
171.04362	0.7
183.04411	2.4
185.06001	1.4
187.03891	1.4
189.05475	0.9
191.05589	3.3
201.05501	0.6
211.03908	3.3
213.05505	1.3
221.82700	0.5
227.03458	13.9
228.03937	0.9
229.05020	4.4
239.03462	1.1
241.05066	1.0
255.02966	50.0
256.03479	4.4
257.04465	3.2
269.04678	0.9
281.04489	0.7
283.02472	53.9
284.03226	41.0
284.06625	0.9
285.04019	100.0
286.04373	6.4
297.04010	0.5
313.19067	0.5
327.04959	3.0
374.19336	0.5
446.08572	2.8
447.09235	3.5
593.15082	100.0
594.15430	14.4
635.16620	0.8
661.98029	0.6
755.20343	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.6
60.74585	1.0
69.52835	3.3
69.53261	4.1
72.99184	1.0
80.20515	0.9
83.01238	1.0
93.03352	1.9
98.19809	2.0
123.04343	1.4
130.03043	0.9
135.00580	0.9
135.04445	2.1
137.02318	1.4
151.00328	2.2
172.75435	0.9
173.04514	5.5
176.12950	0.9
179.03491	2.8
183.04440	2.8
187.03946	1.0
191.05551	6.0
203.30338	0.9
211.03987	3.1
216.71535	0.8
227.03461	13.2
228.03966	1.3
247.92203	1.0
255.02980	60.1
256.03494	5.9
257.04376	1.3
281.04422	0.9
283.02481	100.0
284.03232	59.8
284.06479	1.3
285.03998	18.1
326.04367	1.3
352.97766	1.1
353.02872	1.1
353.08707	2.0
429.08234	1.6
446.08475	13.9
447.08878	1.6
593.15106	84.1
594.06293	1.5
594.15320	10.6
627.80750	0.9
635.16278	1.9
755.20258	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55822	2.4
55.45360	2.9
59.01255	17.3
67.05103	2.9
71.01246	8.3
71.34303	5.3
72.57781	2.8
72.99171	2.7
77.75703	3.0
78.70360	3.0
78.95766	4.0
83.04914	4.8
87.98627	2.8
88.98661	3.2
89.02287	3.9
96.95857	3.6
97.02824	5.1
97.06520	3.4
101.02334	4.4
109.06480	9.7
111.08056	4.5
113.02346	4.9
125.09595	6.0
135.08038	2.9
142.02750	3.1
161.09593	2.8
163.11143	12.7
165.12772	6.2
169.12213	3.9
171.10197	5.1
179.10802	4.0
191.05536	4.1
191.73138	3.0
197.11777	22.2
207.10214	36.4
209.11760	100.0
210.12057	7.4
225.11252	17.8
227.12860	12.2
233.02574	3.1
235.08148	4.1
245.19044	6.6
253.09135	14.7
263.20258	3.1
289.18051	16.8
291.19781	13.6
293.21140	6.5
307.19098	18.3
309.20697	26.2
331.18958	4.3
421.16479	4.1
461.19812	3.7
671.05695	3.4
753.41107	32.4
754.40735	5.9
757.25348	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48481	1.9
69.48874	6.4
90.28367	0.8
107.01273	1.4
108.02061	2.7
148.01561	1.7
151.00233	5.5
163.00200	1.3
178.99832	3.9
191.05418	0.8
199.03951	0.9
227.03362	2.8
228.03928	1.0
235.75543	0.8
243.02940	10.8
244.03516	2.0
254.02148	2.3
255.02977	28.7
256.03278	2.9
271.02472	65.6
272.02893	6.3
284.03320	1.5
296.70383	0.9
299.01974	3.2
300.02740	100.0
301.03238	10.7
366.22446	0.9
489.11285	1.0
732.75677	1.0
749.81671	0.9
755.20398	44.7
756.20905	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	3.7
57.03309	4.8
58.00478	2.3
59.01252	97.3
60.99188	2.1
67.37328	1.6
69.03325	3.0
69.45706	8.1
69.46130	7.0
69.70173	1.9
71.01255	56.5
72.99175	3.4
73.02821	17.7
81.03358	1.9
83.01266	9.1
85.02831	27.5
87.00773	6.7
88.98691	15.0
89.02315	17.2
93.03349	3.1
95.01287	7.0
96.37125	2.0
96.95863	10.3
97.02835	2.2
99.00768	6.0
101.02315	32.9
108.02044	3.7
109.02863	8.1
111.00761	3.9
113.02333	32.4
119.03395	5.7
119.04906	2.9
121.02836	2.3
123.04445	2.0
124.01546	2.6
125.02360	5.7
129.77953	1.8
135.04439	4.2
137.02335	4.3
143.03412	3.6
151.03847	2.3
152.01054	3.8
153.01831	9.9
159.02960	3.3
161.02336	3.3
161.04558	4.2
161.05908	2.1
173.04477	3.6
179.05621	2.0
179.07040	3.3
191.05519	14.4
198.57439	1.9
201.43584	1.8
250.06844	2.2
298.53870	2.1
343.28577	6.3
344.29221	2.0
444.33371	2.2
462.99316	2.3
487.32693	8.4
505.34326	11.2
506.34335	2.4
550.33118	1.9
613.35199	3.4
633.38379	3.4
649.38031	100.0
650.38519	17.8
651.39520	6.7
667.38995	69.9
668.39136	9.8
669.40424	2.6
695.34924	2.1
709.40332	15.7
710.40320	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47130	3.4
59.01241	20.4
61.98692	4.0
66.58165	3.0
69.03300	3.7
69.65574	22.9
70.34528	3.9
71.01258	15.9
83.04887	5.9
85.02814	5.5
88.98672	7.7
89.02326	6.8
97.02843	13.2
97.06477	4.9
98.20656	4.5
101.02318	11.5
105.54834	3.1
109.02838	7.3
109.06505	23.0
111.08076	8.3
113.02345	5.5
119.97674	3.1
125.09637	6.9
125.61411	3.1
135.04472	4.6
135.07994	3.7
137.02365	5.1
137.09627	4.7
141.97942	3.4
153.12675	3.9
153.60368	3.3
161.04459	4.4
161.09592	4.3
163.11179	26.9
165.12654	4.0
169.12263	9.6
171.10173	5.6
179.10677	3.2
181.12233	8.9
185.11723	6.3
189.09143	3.5
191.05502	4.1
197.11763	45.3
207.10205	87.9
208.10512	7.0
209.11761	100.0
210.12093	6.2
211.13423	6.5
225.11333	34.7
227.12868	13.0
235.08122	5.7
237.11301	3.4
245.19090	9.4
253.09245	33.1
257.98547	3.5
265.97592	4.0
271.17093	4.1
277.21991	4.4
289.17957	35.1
291.19608	28.5
293.21149	7.6
299.12869	15.6
307.19165	28.1
309.20715	66.8
310.20987	3.3
421.16522	36.6
422.16962	6.7
443.14316	6.3
461.20364	8.3
688.77045	3.9
753.40546	61.2
754.40967	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.3
59.01253	6.1
65.89453	0.3
71.01256	4.5
71.58556	0.5
72.99200	0.5
73.02811	0.9
78.95755	0.3
81.03336	0.7
83.01265	0.6
85.02826	1.9
87.00751	0.5
89.02325	3.3
89.03848	2.5
93.03350	1.5
95.04914	0.4
96.95877	1.5
99.04383	0.5
101.02343	2.7
105.03347	4.3
105.66337	0.3
108.02065	1.2
109.02838	2.1
111.04443	0.3
113.02340	1.9
119.03406	1.2
119.04914	0.4
121.02853	1.8
123.04409	0.3
125.02399	0.5
133.01852	0.6
133.02852	9.7
135.04414	2.9
136.04788	0.4
137.02333	0.9
139.03920	0.5
143.03546	0.3
149.02341	1.4
151.03944	0.5
152.01053	1.4
153.01820	1.3
161.04425	0.7
173.03038	0.3
173.04512	0.8
177.01860	100.0
178.02196	4.2
179.03468	0.6
179.05539	1.7
179.07079	0.8
187.11295	0.3
191.05542	3.6
203.10759	0.6
204.10991	0.5
251.12901	0.9
252.18631	0.3
283.11014	0.3
300.62558	0.3
315.07169	1.6
317.14032	0.4
339.07101	1.0
383.06232	0.4
395.16980	0.8
488.20419	0.3
505.30014	0.6
573.20355	0.7
575.23352	2.8
576.23297	0.4
649.38324	1.1
660.54199	0.4
667.39209	0.5
753.27100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27290	0.6
57.03321	0.6
59.01246	5.4
60.99168	1.7
67.01775	4.4
69.03318	1.3
69.69019	4.3
71.01256	4.1
81.03327	1.5
82.42581	0.5
82.99690	0.6
83.04913	0.7
85.02817	4.6
87.00755	5.3
89.02325	0.9
93.03339	26.7
94.03656	0.7
96.95918	1.3
98.19859	0.7
99.00783	0.9
99.04369	1.0
101.02335	1.2
109.02793	1.1
111.04411	4.2
113.02335	1.2
114.75415	0.6
117.03349	0.6
126.74700	0.5
127.03895	1.2
129.01796	1.0
134.03639	10.7
135.04388	0.7
137.02396	0.7
149.06026	0.9
151.03874	0.6
153.01898	0.6
155.03416	1.1
161.02394	0.5
173.04480	12.3
179.03421	0.7
183.63051	0.6
191.05542	100.0
192.05878	3.0
193.04970	5.6
209.25664	0.5
299.01907	0.6
301.03424	0.7
321.15341	0.7
367.10330	30.4
368.10675	2.4
421.02271	0.7
543.34851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66897	0.5
57.03320	0.7
59.01254	6.6
69.03328	1.8
71.01249	7.3
71.57980	0.9
73.02821	2.5
81.03317	0.8
83.01260	1.4
85.02799	4.3
87.00773	0.7
88.98693	0.7
89.02322	1.8
91.01769	1.1
92.39249	0.5
93.03320	3.7
95.01260	2.0
96.95890	1.2
97.02833	1.1
99.00731	0.8
101.02320	3.1
108.02054	63.8
109.02847	30.1
110.03179	0.9
113.02338	2.5
121.02844	2.7
123.00793	1.3
123.04395	1.2
125.02328	1.3
132.02046	0.7
133.02852	4.5
134.03745	1.1
135.00792	5.7
135.04413	12.8
137.02333	2.3
139.22255	0.6
149.02428	0.9
150.03259	0.7
151.00185	0.6
151.03917	2.1
152.01064	68.0
153.01851	37.3
154.02100	0.7
161.02374	0.6
161.04463	0.8
163.03963	3.0
165.01875	3.0
173.04492	2.3
176.01129	1.5
177.01863	35.2
178.02200	1.9
179.03456	8.6
179.05029	0.8
179.05542	0.5
179.07027	1.3
180.03917	0.7
187.04112	0.7
187.11229	0.8
191.03619	0.8
191.05536	8.1
219.02962	1.0
225.03995	0.8
231.02998	0.6
279.14120	0.6
285.04062	0.6
287.75323	0.6
312.98480	0.6
315.07230	100.0
316.07498	6.0
339.07184	51.5
340.07260	2.9
357.08374	0.9
383.06204	46.3
384.06534	2.6
401.07220	27.4
402.07556	1.9
431.75543	0.7
507.70297	0.7
519.19025	0.6
529.20929	0.7
547.21777	0.8
573.20752	0.8
709.25714	0.7
753.25616	6.8
754.26349	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.7
59.01247	6.6
60.68948	0.5
61.30674	0.5
67.01752	0.8
67.59581	0.6
69.03329	1.3
71.01256	6.3
72.99163	0.7
73.02828	2.0
81.03342	1.2
83.01248	1.2
85.02827	4.1
87.00757	0.7
89.02317	2.7
90.47328	0.5
93.03338	3.6
95.01268	2.5
96.95889	1.3
97.02814	1.0
101.02327	3.3
106.32170	0.6
107.04911	0.9
108.02052	65.7
109.02850	29.9
110.03165	1.0
113.02335	3.0
119.03384	0.6
121.02840	2.1
123.00772	1.7
123.04398	2.5
125.02313	2.5
132.02040	0.9
133.02856	3.8
135.00801	4.9
135.04422	11.0
137.02316	2.8
139.99640	0.6
149.02359	1.2
151.03902	2.9
152.01060	74.1
152.73712	0.6
153.01849	35.2
154.02211	1.3
156.39996	0.5
161.02344	0.7
161.04497	0.6
163.03879	3.8
164.04675	0.7
165.01862	3.3
167.03319	0.7
173.04491	1.2
176.01102	0.6
177.01852	34.1
178.02188	1.6
179.03442	7.6
179.06947	1.0
191.03604	1.0
191.05554	6.1
192.05775	0.7
207.02870	0.9
215.03633	0.6
315.07211	100.0
316.07489	5.8
321.53644	0.5
339.07190	51.9
340.07706	3.1
357.08237	1.0
383.06186	42.8
384.06598	2.5
401.07239	23.9
401.12558	1.0
402.07303	1.1
462.99710	0.7
472.95587	0.7
573.20172	0.7
753.25781	8.7
754.26569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03315	1.3
57.87029	0.5
58.00453	0.6
59.01252	17.4
59.83602	0.4
69.03318	0.7
69.59895	2.6
69.60307	1.1
69.69387	0.5
71.01255	26.9
72.55754	0.5
72.99169	1.4
73.02827	4.1
81.03329	0.8
83.01248	3.4
85.02826	15.6
86.44386	0.5
87.00757	3.2
89.02316	13.5
93.03323	1.2
95.01271	2.7
97.02827	1.6
99.00758	10.1
99.04393	11.0
101.02326	19.4
109.02823	0.7
112.94223	0.5
113.02331	18.3
119.03415	5.8
125.02354	2.4
131.03436	0.5
137.02341	1.4
140.45511	0.5
143.03386	4.8
149.04465	1.1
155.03487	0.6
159.02843	0.8
161.02402	0.6
161.04466	15.1
161.05807	0.8
179.05504	4.7
188.93875	0.6
189.08875	0.6
191.05571	2.6
203.05539	0.6
221.06642	1.1
223.06047	0.7
297.81027	0.6
323.09821	100.0
324.10114	4.3
423.15024	0.8
476.37418	0.6
529.19275	8.7
530.19666	1.4
573.18262	2.0
588.72882	0.6
753.24768	1.4
754.25555	0.7
755.77917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31572	1.6
58.00464	2.4
59.00953	2.9
59.01250	55.6
61.98699	10.3
63.60008	1.4
69.03336	2.8
71.01254	43.4
71.04893	3.4
72.99198	2.6
73.02829	5.7
83.01261	4.8
85.02836	6.1
87.00738	8.8
88.67905	1.6
89.02315	27.5
93.03347	1.6
95.01274	2.1
96.75944	2.0
96.95902	6.6
97.02835	6.3
99.00744	2.4
101.02320	33.0
113.02337	15.1
119.03371	9.4
125.02334	9.9
135.04443	2.7
143.03398	5.2
154.21556	2.0
159.92860	1.7
161.04474	7.0
173.04471	2.5
179.05565	5.9
191.05576	5.6
221.06584	3.2
223.16968	2.3
230.05016	1.7
235.08176	11.6
235.17014	16.8
236.17490	1.8
253.09195	2.3
260.31552	1.7
275.20181	18.3
276.20694	1.6
287.07803	2.8
293.21225	85.5
294.21518	5.3
305.08853	4.2
319.60672	2.0
331.19141	1.8
397.13492	100.0
398.13913	6.7
415.14575	42.8
416.14893	3.6
519.93311	1.7
557.18896	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.4
63.21837	0.2
66.89818	0.2
68.71014	0.1
69.66732	0.5
69.67157	0.7
71.01256	1.2
72.99181	3.7
73.99509	0.2
75.00747	100.0
76.01081	0.6
85.02817	0.2
87.00760	0.3
89.02311	1.1
101.02330	1.0
113.02325	0.3
119.03368	0.3
125.02331	0.6
135.37172	0.2
143.03423	0.2
151.26422	0.1
161.04494	0.2
169.03035	0.2
179.05518	0.3
211.36493	0.2
235.08167	0.5
277.21735	3.4
278.21878	0.2
397.13522	5.8
398.13977	0.3
415.14523	1.8
430.81693	0.2
493.70511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.8
58.00459	2.5
59.01252	52.9
61.98693	14.1
69.03342	3.8
70.67422	2.6
71.01251	42.5
72.99181	3.2
73.02819	8.1
81.03343	3.1
81.07526	2.4
83.01254	6.6
85.02826	9.1
85.45325	2.4
87.00759	11.5
89.02322	30.1
96.95891	16.8
97.02821	5.6
99.00764	3.3
101.02332	30.4
113.01642	2.8
113.02325	15.6
119.03423	7.1
121.10162	4.9
125.02334	11.1
126.21347	2.5
135.04471	4.7
143.03395	6.5
161.04486	9.4
171.10170	13.9
179.05560	7.0
180.80963	2.4
183.13834	7.4
191.05476	4.5
211.13408	3.4
235.08200	14.5
275.20163	19.0
287.07721	4.1
293.21225	94.6
294.21509	9.1
302.77603	2.6
305.08774	5.8
309.20718	3.3
382.39651	2.8
397.13489	100.0
398.13763	6.2
415.14566	44.9
547.28235	2.6
617.49622	2.5
776.27966	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
61.98703	0.2
62.20449	0.1
69.66425	0.6
69.66844	0.4
71.01250	1.3
72.99179	3.8
75.00748	100.0
76.01088	0.7
83.01254	0.2
85.02798	0.3
87.00755	0.3
89.02313	1.3
97.02827	0.3
98.19842	0.2
101.02316	1.1
113.02348	0.6
119.03385	0.4
125.02326	0.7
143.03383	0.2
170.30316	0.2
179.05522	0.3
197.11888	0.3
235.08211	0.6
277.21719	3.8
278.22198	0.4
287.07938	0.2
305.08878	0.3
393.26779	0.2
397.13480	6.9
397.18600	0.4
398.13727	0.7
415.14664	2.5
416.14786	0.3
751.39539	0.4
766.92902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76197	0.2
59.01228	0.3
71.01232	0.2
71.57752	0.3
78.95776	6.7
79.95605	3.0
84.30038	0.2
87.00762	0.2
94.97958	0.3
95.97514	0.2
96.00793	0.2
96.95889	100.0
96.96783	6.6
98.02384	0.4
113.61585	0.2
123.60119	0.2
223.16673	0.2
230.32101	0.2
255.23396	0.2
378.65149	0.2
385.19366	0.2
397.13654	0.4
435.08224	0.2
453.09378	0.4
493.37308	0.2
597.45392	0.2
662.38580	0.2
680.27460	0.2
691.32428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90691	0.2
59.01263	0.4
68.07182	0.2
69.05130	0.2
70.32965	0.2
71.01248	0.3
71.57671	0.3
78.95777	3.7
79.95609	3.2
96.95890	100.0
96.96780	5.4
97.95824	0.3
118.96526	0.3
124.70840	0.2
152.99370	0.2
253.77898	0.2
255.23030	0.4
255.50073	0.2
257.77231	0.2
397.13446	0.4
435.08411	0.3
436.19644	0.2
453.09372	0.8
505.62534	0.2
691.32080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17826	0.9
59.01255	12.3
65.03843	1.5
71.01261	9.5
73.02832	2.7
78.95795	1.3
79.05430	1.1
83.01259	1.3
85.02831	2.9
87.00744	2.5
89.02307	5.4
91.05413	9.2
93.03359	4.8
94.83866	1.0
95.01270	1.4
96.95888	4.9
100.53194	1.2
101.02332	4.1
105.03359	1.7
107.04922	3.8
108.02071	2.0
109.02847	10.7
109.06480	1.5
111.00743	1.2
113.02334	2.7
119.03373	1.4
121.02847	35.3
122.03674	2.3
125.02370	1.9
133.02850	3.6
134.03653	10.7
135.04420	92.7
136.04764	2.9
137.02365	1.1
142.09219	1.0
147.04425	18.3
148.05232	5.8
151.03938	2.5
153.01860	1.2
159.04474	1.8
160.05190	1.0
161.02348	1.5
166.02675	1.6
173.04526	2.6
173.05946	1.7
175.07593	1.1
177.01866	31.7
177.05447	1.1
177.09114	16.8
177.42963	0.9
178.02286	2.0
178.77029	1.0
179.03412	1.4
181.92206	0.9
182.57564	1.0
189.09146	44.4
190.09454	2.4
191.05551	8.9
195.06636	1.3
199.07622	1.3
203.10715	100.0
204.11171	4.8
209.11835	2.2
215.10715	8.8
217.08652	6.8
257.00601	1.1
323.13004	2.7
325.14444	62.3
326.14728	4.2
371.05286	1.1
469.18674	8.8
487.19724	41.1
488.20029	4.4
524.98114	1.0
529.20807	62.2
530.21283	7.3
545.20209	6.7
571.18549	1.4
665.37274	1.4
751.25592	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.2
58.00469	1.2
59.01251	70.8
60.01548	1.1
61.98697	1.7
64.35407	1.1
69.03313	1.1
71.01257	35.8
71.58407	1.9
72.99184	2.5
73.02824	10.7
75.00775	1.0
81.11585	1.0
83.01256	4.7
83.04909	1.3
85.02821	13.8
87.00752	2.6
89.02315	18.9
93.03336	4.8
95.01260	2.6
96.95898	4.6
97.02814	1.5
99.00763	2.7
101.02317	19.8
108.02081	1.8
109.02818	1.7
111.00836	1.2
113.02325	16.4
115.15618	1.0
119.03412	8.0
119.04893	1.6
119.30560	1.0
121.02831	1.3
125.02351	1.9
127.03884	2.3
131.03490	1.3
131.85143	1.0
135.04405	6.0
137.02304	2.0
151.03893	1.0
152.01062	1.9
161.02344	2.1
161.04507	2.4
165.05446	1.3
173.04411	2.4
177.01869	1.8
179.05429	1.3
191.05536	8.1
193.27493	1.1
216.44594	1.0
307.42047	1.2
339.12311	1.4
483.29425	3.5
501.30789	5.2
525.30682	1.4
543.31714	100.0
544.31940	13.1
645.34802	16.9
646.34637	2.2
661.38300	1.4
663.35797	10.6
689.39264	2.4
705.37634	2.2
749.25903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	2.3
57.18624	1.8
58.01013	2.0
59.01253	44.2
64.26906	1.7
68.41485	2.1
69.03308	2.7
71.01254	26.4
72.99189	2.9
73.02831	7.1
74.36818	1.8
75.00754	2.8
83.01279	2.7
85.02821	7.7
85.03291	1.8
87.00758	5.9
89.02328	13.1
91.65913	1.9
93.03342	3.6
96.07923	1.7
96.95889	18.8
97.02807	2.1
99.00706	1.9
101.02319	15.5
102.91792	2.0
109.02900	2.3
113.02348	7.3
116.22861	2.1
120.49326	1.9
125.02353	7.1
131.37978	1.9
135.04410	5.1
143.03397	3.7
161.02364	2.3
161.04430	3.9
165.12782	19.6
173.04417	3.2
179.05463	3.9
191.05544	11.7
221.06592	2.5
222.96776	2.2
235.08197	3.2
247.20630	9.8
273.18576	6.1
291.19641	100.0
292.20056	8.4
309.82733	1.9
377.91995	2.1
397.13507	50.9
398.13852	4.8
415.14514	30.7
717.60175	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48182	0.4
56.39458	0.3
59.01249	4.4
65.03836	1.8
67.01772	0.5
69.27293	3.6
71.01245	3.4
76.01389	0.4
77.24036	0.3
79.00163	0.3
81.03332	0.6
83.01241	0.5
85.02816	2.7
87.00766	0.5
89.02319	1.5
91.05411	12.6
93.03342	3.2
93.91327	0.4
96.95892	0.7
97.02850	0.6
99.00767	2.5
101.02334	1.1
108.02097	0.4
109.02835	13.0
110.03185	0.6
113.02330	3.3
119.03378	0.6
119.04937	0.4
121.02842	15.7
125.02348	1.1
133.02835	0.4
135.04413	100.0
136.04756	3.2
137.02356	0.7
143.03418	2.9
147.04413	6.4
159.04411	2.8
161.04453	1.2
161.05901	0.6
173.04460	0.5
179.05489	0.5
191.05553	1.1
191.10690	1.3
202.09956	1.2
203.05562	1.1
215.69339	0.3
217.12288	16.1
218.12613	1.1
227.05505	0.4
284.84021	0.3
291.19742	0.5
323.09787	0.7
339.15988	66.0
340.16367	6.9
365.10907	2.2
434.36505	0.4
663.26648	0.6
702.61945	0.4
705.27704	5.9
705.59467	0.4
706.28046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13199	2.3
55.01770	3.1
58.00486	3.0
59.01252	71.7
61.98704	4.4
67.01774	3.8
69.58323	18.7
71.01258	51.3
72.99177	4.8
73.02815	26.8
78.95792	6.9
83.01255	10.5
83.04874	3.7
85.02813	20.3
87.00728	4.5
87.04395	3.5
89.02313	13.1
93.03326	6.8
95.01261	3.1
96.95875	21.9
98.19815	6.3
99.00770	4.0
101.02330	25.4
103.95741	2.3
108.02085	2.6
109.02866	5.8
111.04401	2.8
113.02328	21.1
115.00256	2.4
119.03394	8.5
119.04917	88.8
120.05222	4.0
122.08537	2.5
125.02325	4.7
135.04420	30.9
137.02359	8.2
143.03412	3.5
149.05965	3.2
150.03156	5.7
151.00293	2.9
151.03946	4.5
153.01831	3.1
155.03473	3.1
157.06487	5.1
161.02339	4.2
161.04552	5.4
163.03911	4.0
165.05473	3.1
171.10237	4.0
173.04498	10.4
177.01860	4.3
179.03368	7.2
191.05539	30.8
192.05902	3.5
201.05492	2.7
217.08759	3.8
241.05009	3.3
300.02777	4.7
315.12427	11.7
321.11298	63.9
322.11768	5.3
505.09903	4.4
540.11255	3.4
543.18719	100.0
544.19183	13.0
645.35181	7.8
663.35992	10.4
687.40131	6.7
705.36865	5.5
750.27417	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.1
65.03835	1.3
69.24317	1.1
69.24717	5.3
71.01255	1.9
83.01313	0.8
85.02854	0.8
89.02345	0.8
90.54951	0.6
91.05411	9.9
93.03354	2.7
96.95902	1.1
101.02325	0.9
109.02838	12.4
113.02328	0.6
121.02845	11.3
135.04419	100.0
136.04742	3.3
136.78154	0.5
147.04443	4.8
159.04419	3.5
175.71652	0.5
191.05573	1.7
191.10732	1.6
202.09883	1.6
217.12294	18.5
218.12651	0.8
231.21967	0.6
273.18585	0.7
291.19681	3.5
332.81122	0.6
339.16000	38.1
340.16519	3.2
363.26553	0.7
397.13452	2.3
415.14682	0.7
483.20309	4.7
501.21323	20.7
501.28757	1.1
502.21741	2.1
529.74707	0.5
532.62012	0.6
543.22388	10.7
544.22913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03508	1.2
59.01252	100.0
70.63697	3.4
78.95779	2.8
81.45662	1.4
86.96205	1.2
105.77209	1.3
134.93143	1.5
135.45609	1.4
152.99471	2.7
207.32538	1.5
332.90118	1.4
455.17441	3.0
473.18298	4.9
496.14252	2.1
512.12976	8.4
513.13348	2.7
526.15057	8.8
527.15326	2.8
599.17920	1.8
600.18311	2.1
601.18420	3.1
613.19440	2.0
614.20209	66.2
615.20459	13.4
632.18298	2.0
646.19318	8.1
647.19342	2.2
687.23175	6.2
747.25067	43.4
748.25580	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	25.7
69.84139	9.1
71.01261	12.3
73.02814	2.9
74.61957	1.6
76.46654	1.3
85.02809	6.0
89.02303	6.8
95.01266	3.4
96.95866	2.3
99.04363	2.4
101.02333	6.7
107.01262	1.6
108.02051	64.0
109.02161	2.4
109.02853	46.3
110.03200	1.3
111.33346	1.7
111.34210	1.5
113.02328	4.3
113.97798	1.3
119.03365	1.9
119.18099	1.3
121.02813	1.6
123.00758	2.8
128.14406	1.4
135.00737	2.2
135.04417	1.3
151.03928	2.8
152.01064	67.3
153.01849	37.2
165.01848	1.6
190.37968	1.3
206.57222	1.4
209.11745	5.1
254.12239	1.4
315.07193	9.9
339.38855	1.5
357.08209	7.7
505.20425	1.7
523.21521	2.3
567.20697	15.0
568.20801	2.3
747.16351	3.5
747.27130	100.0
748.27325	17.9
763.02258	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
64.65498	0.4
70.32066	0.7
78.95780	31.8
89.02356	0.4
96.95872	0.4
96.96841	2.9
150.97952	0.7
152.99495	41.0
153.99850	0.5
171.00554	3.2
177.06021	0.4
192.98198	0.3
227.03227	4.8
245.04301	1.2
253.21715	26.2
254.22061	1.7
255.23265	2.4
256.23416	0.5
279.23425	3.1
281.24860	100.0
282.25220	7.1
366.98843	0.4
373.26642	0.5
417.23981	2.4
463.24664	0.5
491.27615	1.0
509.28830	87.3
510.29190	9.8
701.15845	0.5
745.50281	22.2
746.50562	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65028	0.7
57.03328	1.7
58.00470	5.0
59.01254	100.0
60.01583	1.0
69.50323	4.8
69.50742	1.3
69.58307	0.7
71.01257	72.4
72.01575	0.8
72.99187	6.6
73.02813	3.3
76.29369	0.7
81.03311	1.2
83.01256	3.1
85.02827	13.5
87.00763	3.8
89.02320	79.7
90.02667	1.2
93.03343	2.9
95.01265	5.7
96.95894	1.7
99.63525	0.8
101.02327	41.5
102.02650	0.8
109.02818	2.3
110.06120	0.8
111.04535	0.8
113.01532	1.2
113.02328	28.9
119.03394	33.2
119.04810	1.5
120.03806	0.9
120.70679	0.7
121.02840	3.3
122.03642	6.9
124.01546	0.8
125.02330	3.2
131.03401	4.3
132.02025	1.0
133.02852	2.0
135.04391	2.0
136.01588	1.1
137.02306	2.4
139.00139	1.0
143.03436	5.0
146.03647	0.9
147.04442	1.3
149.02365	14.2
149.04411	2.3
150.03149	31.4
151.03827	2.9
152.01010	1.1
153.01753	1.0
159.04378	1.8
161.04472	4.1
164.04755	1.8
165.05492	27.4
166.06078	0.9
168.00490	1.0
173.04544	1.9
177.05437	1.3
179.03366	1.1
179.03966	1.0
179.05571	8.5
179.07021	1.5
180.04202	3.2
180.05753	0.8
191.05551	6.3
195.06551	16.5
196.06862	1.1
205.04987	1.9
209.18759	0.9
268.07458	1.7
280.07263	1.4
283.09741	1.6
296.06784	1.5
301.03696	0.9
308.07062	1.5
309.07669	2.1
311.09271	3.8
321.07440	1.0
323.09250	3.9
324.06329	1.7
324.09961	2.2
337.11218	0.8
339.08746	13.3
340.09180	1.9
354.11108	5.3
362.17004	0.8
367.10641	1.4
369.13434	25.2
370.13727	3.0
517.18719	9.9
518.19470	1.4
565.20001	1.8
745.26569	2.7
776.60901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55901	0.8
56.94595	0.8
58.00460	1.9
59.01255	24.6
64.56719	0.9
71.01257	18.3
71.01619	1.7
72.99194	1.9
73.02812	2.2
74.68346	0.9
85.02809	4.7
87.00761	2.6
89.02325	16.5
93.03347	7.3
95.01257	0.9
96.95911	5.5
101.02330	9.6
108.02068	5.3
109.02845	3.9
113.02344	6.3
118.15721	0.8
119.03380	7.1
121.02839	6.6
122.03625	10.5
123.00819	1.0
123.04446	1.7
125.02369	1.7
131.03394	1.0
133.02812	1.8
134.03604	1.2
135.04443	3.7
136.01578	12.9
137.02356	5.1
143.03432	1.0
145.02846	1.9
149.02364	18.5
150.03137	93.2
151.00323	4.3
151.03937	15.8
152.01062	3.0
153.01820	2.5
153.05400	0.9
161.02370	2.8
161.04477	2.4
162.03160	5.9
163.03918	1.4
164.04716	3.8
165.05496	100.0
166.02660	10.7
166.06000	4.2
167.03383	1.1
173.04474	2.6
174.40968	1.0
175.02303	0.8
175.03949	2.6
177.01846	1.7
177.05508	3.3
179.03456	1.0
179.05522	3.4
179.06958	1.0
180.04195	6.0
181.05000	11.6
190.06305	1.8
191.05573	9.2
195.06564	98.8
196.06905	5.0
207.06538	1.0
225.35173	0.9
265.34753	1.0
357.09610	2.8
357.13406	8.4
369.13348	1.2
372.12213	2.1
387.14536	31.4
388.14868	2.2
535.19867	3.7
547.20105	1.4
553.20984	1.6
583.21912	14.2
584.22113	2.2
636.28168	1.1
647.68481	1.3
680.08569	1.3
701.26837	3.9
702.27930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.3
58.00473	5.3
59.01253	100.0
69.33446	10.7
71.01254	66.0
71.04907	1.0
72.01579	1.5
72.99185	6.3
73.02810	2.4
80.30337	1.2
83.01237	2.3
83.52231	1.0
85.02834	12.7
87.00759	4.3
89.02322	78.2
90.02647	1.4
93.03340	4.3
95.01247	5.4
96.95901	1.6
101.02328	38.3
102.02659	1.6
109.02836	2.2
113.01537	1.4
113.02325	25.6
119.03396	34.7
119.04249	1.7
121.02853	2.4
122.03630	5.8
125.02350	2.0
131.03412	3.7
135.04411	3.1
137.02310	2.3
143.03375	5.3
149.02368	11.0
149.04437	2.9
150.03136	29.6
151.03839	2.2
153.01918	2.1
161.04492	3.8
163.03853	1.2
164.04698	1.9
165.01894	1.9
165.05502	27.0
173.04530	1.8
177.05446	2.0
179.05556	7.8
180.04262	1.2
191.05502	6.3
195.06573	18.9
268.07312	1.4
309.07764	1.4
311.09222	1.9
322.08347	1.4
323.09244	3.7
324.06296	1.4
324.09689	2.0
338.11551	1.5
339.08728	13.0
340.09369	1.3
346.18774	1.6
354.11111	4.1
369.13434	25.6
370.13904	2.9
517.18744	8.6
745.26343	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
58.00455	3.1
59.01250	56.3
61.98700	1.6
66.81840	1.5
68.60330	1.2
71.01254	41.2
72.99180	3.4
73.02804	2.8
83.01251	2.9
85.02834	8.9
87.00770	3.6
89.02319	40.0
93.03329	7.4
95.01274	3.0
96.95894	2.4
97.06486	1.5
101.02323	20.4
108.02051	3.5
109.02858	6.7
113.02311	15.1
119.03381	16.2
121.02828	13.1
122.02985	1.4
122.03654	15.3
123.00748	2.1
124.01546	3.9
125.02324	6.5
133.02821	2.2
135.04399	10.2
136.01563	17.9
137.02315	5.4
143.03392	2.8
147.04431	1.8
149.02356	28.4
149.04381	2.2
149.05956	3.3
149.99530	3.4
150.03130	100.0
151.00256	6.2
151.03940	19.9
152.01057	3.6
153.01828	5.9
160.05208	1.6
161.04515	3.4
161.05878	2.1
163.03909	3.4
164.04721	7.2
165.05489	94.7
166.02617	13.3
166.05824	3.9
167.03328	3.5
168.00528	7.4
173.04488	1.8
175.03906	3.1
177.01714	2.2
177.05461	2.9
179.03360	1.9
179.05539	5.7
180.04187	6.2
181.04994	16.1
189.05481	3.9
190.06288	6.7
191.03607	1.9
191.05522	7.8
193.60413	1.6
195.06560	69.2
196.06873	3.8
202.06441	1.4
205.04883	1.7
205.08609	2.3
229.25497	1.5
308.06943	2.2
309.07578	2.0
315.08975	1.9
323.09152	3.4
329.10172	3.1
332.15631	1.5
339.08716	9.4
342.10965	1.9
354.10956	2.3
356.12408	1.8
357.09787	3.2
357.13583	7.2
369.13309	15.6
370.13846	2.6
372.12100	2.6
373.12820	2.9
386.13986	1.6
387.14539	38.9
388.14734	4.8
505.18491	2.8
517.18695	1.6
535.19727	51.2
536.20343	7.7
553.20551	1.9
583.21759	22.7
584.22156	3.4
589.58496	1.5
745.24530	7.9
746.24927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.8
60.54501	0.3
60.99177	18.1
71.57668	0.4
78.49142	0.3
87.00764	2.6
88.00285	3.8
88.98678	100.0
89.02312	17.8
89.99003	1.2
90.02676	0.3
122.09885	0.3
122.55479	0.3
145.62924	0.3
169.75325	0.3
191.05510	0.7
233.14360	0.4
255.23242	0.5
281.15057	0.4
397.13544	1.2
507.62805	0.4
699.80109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
60.99177	18.3
61.98706	1.9
63.87109	0.3
67.70602	0.3
71.01226	0.4
87.00768	1.8
88.00275	3.1
88.98677	100.0
89.02314	12.1
89.99025	0.7
100.37363	0.3
229.24768	0.4
249.89130	0.4
255.23244	0.6
397.13550	1.0
492.22943	0.3
637.45490	0.3
687.95087	0.4
691.07013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82431	0.7
53.69943	0.7
57.03314	1.3
59.01252	100.0
60.01583	1.0
70.40476	2.5
71.01253	8.6
73.02816	4.6
83.01295	0.7
85.02827	4.4
89.02347	1.5
99.00766	1.8
101.02322	7.0
108.02071	0.8
111.39300	0.6
113.02338	4.4
115.46365	0.7
121.02874	1.3
122.48702	0.8
138.01886	5.7
138.41325	0.7
139.02229	1.3
143.03450	0.7
153.12823	0.6
159.03033	0.8
161.04504	4.9
191.05687	1.0
201.07724	0.7
225.14896	5.7
269.10324	13.6
311.11267	5.0
383.30853	0.8
387.20367	4.8
529.03149	0.7
770.48712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03328	1.7
59.00996	1.7
59.01257	25.5
59.03054	1.2
59.71285	1.2
61.99925	1.3
64.80930	1.4
69.03315	5.0
71.00906	1.3
71.01257	15.7
71.91790	1.2
72.99185	1.8
73.02819	3.1
77.86902	1.3
83.01247	3.9
85.02805	7.2
87.00729	2.6
89.02336	9.1
93.03326	4.4
95.01247	4.2
96.95870	3.7
97.02867	2.3
99.00735	1.8
101.02318	9.0
108.02049	4.0
108.74724	1.4
109.02828	6.6
111.00803	1.2
113.02317	5.4
118.22179	1.4
119.03389	2.4
119.04901	1.6
121.02874	2.5
123.00766	12.5
123.04384	4.2
124.01563	24.1
125.02346	58.4
126.02622	2.0
135.04399	4.9
137.02306	5.5
149.02328	2.3
149.06035	1.6
149.99498	35.7
151.00203	2.7
151.03879	4.4
152.01021	4.8
153.01772	4.3
165.05507	1.9
167.03387	5.9
168.00565	75.8
169.01324	14.5
173.04456	3.0
173.05829	1.5
179.03329	2.9
187.11110	1.5
191.03816	1.6
191.05467	9.0
193.05099	1.4
205.12090	1.6
287.07904	2.0
313.05649	2.0
315.07043	1.8
327.09985	1.5
331.06677	6.1
362.83813	1.3
434.02771	2.2
489.47702	1.4
563.17932	3.0
581.22040	1.6
639.35773	5.3
657.36713	4.2
683.38641	2.1
743.24072	100.0
744.24347	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03328	1.7
59.00996	1.7
59.01257	25.5
59.03054	1.2
59.71285	1.2
61.99925	1.3
64.80930	1.4
69.03315	5.0
71.00906	1.3
71.01257	15.7
71.91790	1.2
72.99185	1.8
73.02819	3.1
77.86902	1.3
83.01247	3.9
85.02805	7.2
87.00729	2.6
89.02336	9.1
93.03326	4.4
95.01247	4.2
96.95870	3.7
97.02867	2.3
99.00735	1.8
101.02318	9.0
108.02049	4.0
108.74724	1.4
109.02828	6.6
111.00803	1.2
113.02317	5.4
118.22179	1.4
119.03389	2.4
119.04901	1.6
121.02874	2.5
123.00766	12.5
123.04384	4.2
124.01563	24.1
125.02346	58.4
126.02622	2.0
135.04399	4.9
137.02306	5.5
149.02328	2.3
149.06035	1.6
149.99498	35.7
151.00203	2.7
151.03879	4.4
152.01021	4.8
153.01772	4.3
165.05507	1.9
167.03387	5.9
168.00565	75.8
169.01324	14.5
173.04456	3.0
173.05829	1.5
179.03329	2.9
187.11110	1.5
191.03816	1.6
191.05467	9.0
193.05099	1.4
205.12090	1.6
287.07904	2.0
313.05649	2.0
315.07043	1.8
327.09985	1.5
331.06677	6.1
362.83813	1.3
434.02771	2.2
489.47702	1.4
563.17932	3.0
581.22040	1.6
639.35773	5.3
657.36713	4.2
683.38641	2.1
743.24072	100.0
744.24347	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36269	6.2
59.01241	18.2
65.00178	16.5
71.01238	14.3
71.57873	8.8
73.02797	10.7
82.40669	6.1
83.01254	13.9
85.02820	12.2
93.03335	15.6
95.01274	20.0
107.01228	19.4
109.02811	28.4
111.00729	14.7
121.02863	9.6
123.00780	41.2
125.02327	11.9
133.02899	8.1
135.00848	10.1
135.04427	17.7
137.02321	16.0
139.00243	32.5
141.01837	9.2
147.04355	7.3
148.01469	7.3
149.02321	15.4
149.99451	8.7
151.00291	59.2
152.01010	6.9
153.01830	13.9
159.04510	10.6
161.02309	9.7
163.00256	14.7
164.98201	10.1
166.99817	15.6
167.35069	6.5
168.00555	11.8
169.01323	11.3
173.02351	9.6
173.04379	15.8
175.00285	17.2
177.01840	14.1
178.99794	48.6
179.03394	8.1
181.01385	12.2
187.03954	16.1
188.07463	7.1
190.99710	8.0
191.05533	50.5
192.00400	9.1
193.01321	24.3
194.99367	12.7
198.01514	6.9
199.03885	9.3
201.01959	10.5
202.02498	7.8
203.03552	8.0
205.01419	12.0
206.99298	12.7
214.02684	9.2
215.03497	8.1
226.02791	10.9
229.01419	9.7
231.03020	17.8
242.02106	12.3
243.02986	27.9
258.01508	14.2
259.02347	11.0
271.02487	57.2
272.02676	8.9
285.00482	11.6
286.01202	18.3
287.02084	50.8
297.00366	9.2
299.01913	38.4
300.02817	14.3
301.03549	24.5
314.00461	12.0
315.01480	74.2
316.01984	10.9
331.00775	16.5
331.06628	13.3
341.05020	21.6
355.06488	10.3
397.07727	14.2
449.07117	18.2
477.06772	100.0
478.07376	14.4
493.09686	8.4
495.08066	8.9
504.08963	7.9
505.09778	23.8
519.07623	22.3
537.08594	19.8
543.62469	6.8
699.14221	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	27.6
70.01154	6.3
70.01564	2.7
71.01253	27.8
72.99178	3.1
73.02816	4.2
78.95777	10.6
83.01257	4.3
85.02835	5.6
87.00745	6.7
87.64237	1.7
89.02319	20.8
95.01241	1.8
97.02820	4.5
99.00774	2.1
101.02312	20.6
113.02317	8.8
116.92696	3.0
119.03393	7.5
125.02333	8.7
143.03387	4.4
152.99542	4.9
161.04462	4.1
179.05565	3.9
235.08231	12.4
253.21623	1.8
277.21677	3.6
283.26410	72.0
284.26776	8.4
287.07571	3.7
305.08664	5.0
397.13483	100.0
398.14038	6.0
415.14569	32.4
505.25406	5.0
514.54425	1.7
741.43378	5.2
742.57855	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.4
57.03331	5.6
58.00468	3.1
59.01252	89.2
61.79086	2.2
64.51660	2.1
65.12267	2.2
69.03330	2.9
69.86740	12.8
71.01256	60.2
72.99166	4.8
73.02829	17.6
75.00773	2.6
83.01263	10.7
83.04906	3.9
85.02816	27.5
87.00754	10.0
89.02324	28.7
89.02851	3.7
91.01782	3.1
93.03334	7.6
93.44061	2.0
95.01274	7.7
96.95869	3.4
98.20618	2.5
99.00795	3.4
99.72849	2.2
101.02325	30.4
107.04912	2.0
108.02047	29.0
109.02861	3.1
111.00777	3.5
113.02324	19.9
114.50139	1.9
119.03390	9.8
119.04856	4.3
121.02837	5.2
122.03609	3.0
123.00785	2.8
123.04402	14.2
125.02316	6.8
133.02887	2.5
134.03712	2.5
135.04433	21.9
137.02310	2.7
139.21457	2.1
143.03394	5.8
144.81290	2.5
149.02368	2.8
152.01062	62.0
153.01752	4.6
161.02444	3.3
161.04407	3.1
161.13312	4.1
163.03951	3.9
165.05473	5.2
167.03415	100.0
168.03723	4.1
173.04462	5.2
176.01071	16.7
177.01747	2.8
179.03391	5.7
179.05583	8.5
187.11261	7.5
191.03426	16.8
191.05554	27.8
205.12321	8.7
229.12186	2.7
243.06635	4.9
249.11317	7.0
307.14063	3.4
313.23883	2.4
315.12451	5.6
331.24951	8.7
393.15494	6.1
475.29193	5.9
489.19321	3.0
493.30029	21.3
519.31653	3.8
535.31097	4.7
537.32654	13.8
538.32434	2.6
549.20807	5.6
561.20087	8.9
573.21814	4.7
637.34320	57.7
638.34998	9.7
655.35388	47.8
656.35663	9.8
667.42157	2.7
697.36407	9.3
721.54248	2.5
739.02350	3.0
741.24438	17.1
742.26001	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	27.4
59.77111	2.8
60.72330	3.1
61.36031	2.8
61.98701	3.6
62.12515	3.0
64.47366	2.8
68.13169	2.8
69.37423	3.3
71.01260	14.5
71.58527	4.7
73.02818	7.6
78.95779	9.6
83.01253	3.2
83.04905	3.2
85.02827	7.6
89.02309	7.5
93.03347	8.9
96.95895	33.5
101.02342	10.7
109.02856	4.9
113.02318	6.5
135.04442	7.7
137.02328	5.8
171.10172	5.1
171.55273	3.1
173.04488	10.1
179.03470	4.3
182.38759	3.1
191.05539	26.0
209.11783	100.0
210.11974	4.8
227.12831	23.4
235.08339	4.5
253.09212	8.2
279.45468	4.1
296.00494	3.1
379.93423	3.4
399.65143	3.2
445.20651	5.1
562.43347	3.9
586.18433	3.8
737.93768	3.6
741.34491	12.6
755.52081	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.4
57.03331	5.6
58.00468	3.1
59.01252	89.2
61.79086	2.2
64.51660	2.1
65.12267	2.2
69.03330	2.9
69.86740	12.8
71.01256	60.2
72.99166	4.8
73.02829	17.6
75.00773	2.6
83.01263	10.7
83.04906	3.9
85.02816	27.5
87.00754	10.0
89.02324	28.7
89.02851	3.7
91.01782	3.1
93.03334	7.6
93.44061	2.0
95.01274	7.7
96.95869	3.4
98.20618	2.5
99.00795	3.4
99.72849	2.2
101.02325	30.4
107.04912	2.0
108.02047	29.0
109.02861	3.1
111.00777	3.5
113.02324	19.9
114.50139	1.9
119.03390	9.8
119.04856	4.3
121.02837	5.2
122.03609	3.0
123.00785	2.8
123.04402	14.2
125.02316	6.8
133.02887	2.5
134.03712	2.5
135.04433	21.9
137.02310	2.7
139.21457	2.1
143.03394	5.8
144.81290	2.5
149.02368	2.8
152.01062	62.0
153.01752	4.6
161.02444	3.3
161.04407	3.1
161.13312	4.1
163.03951	3.9
165.05473	5.2
167.03415	100.0
168.03723	4.1
173.04462	5.2
176.01071	16.7
177.01747	2.8
179.03391	5.7
179.05583	8.5
187.11261	7.5
191.03426	16.8
191.05554	27.8
205.12321	8.7
229.12186	2.7
243.06635	4.9
249.11317	7.0
307.14063	3.4
313.23883	2.4
315.12451	5.6
331.24951	8.7
393.15494	6.1
475.29193	5.9
489.19321	3.0
493.30029	21.3
519.31653	3.8
535.31097	4.7
537.32654	13.8
538.32434	2.6
549.20807	5.6
561.20087	8.9
573.21814	4.7
637.34320	57.7
638.34998	9.7
655.35388	47.8
656.35663	9.8
667.42157	2.7
697.36407	9.3
721.54248	2.5
739.02350	3.0
741.24438	17.1
742.26001	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	0.7
59.01253	100.0
60.01590	1.0
69.73076	4.5
71.01259	10.1
72.99184	0.9
73.02812	1.7
81.85249	0.7
83.01302	1.3
85.02853	3.4
87.70660	0.6
89.02319	5.7
93.03355	3.1
95.01329	0.9
96.95901	1.3
101.02319	5.1
109.02879	1.7
113.02320	5.1
119.03432	2.0
131.03447	0.8
135.04456	1.1
137.86012	0.6
145.02885	0.8
147.04376	0.9
149.04518	0.7
155.67851	0.9
161.04500	2.1
173.04453	1.2
179.05573	1.9
191.05542	6.4
208.46571	0.7
228.76442	0.6
250.99829	0.6
259.50955	0.7
269.10449	2.8
271.02390	1.0
300.02740	1.1
311.11423	4.5
315.33136	0.7
411.16803	0.8
429.17700	3.5
436.24213	0.7
571.25751	0.8
716.80261	0.7
721.53864	0.7
741.17511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76302	0.8
54.02129	1.1
55.01759	5.9
57.03322	6.9
58.00465	3.2
59.01250	65.6
60.01580	1.1
63.13375	1.0
65.26315	1.0
67.01772	1.5
68.99697	1.0
69.03322	4.5
71.01254	100.0
71.58379	1.3
72.99178	6.4
73.02818	17.5
75.00742	2.7
81.03325	3.0
83.01260	12.4
83.01728	1.6
83.04918	1.5
84.02003	1.4
85.02824	49.7
85.99983	1.0
86.03133	1.3
87.00750	20.7
89.02318	43.6
93.03340	13.2
95.01263	8.2
95.04874	1.2
96.26900	0.9
96.95883	3.8
96.99205	1.1
97.02834	10.8
99.00761	25.1
99.04404	1.4
101.02321	62.2
102.02663	1.4
108.02065	2.7
109.02842	6.0
111.00770	9.6
111.04401	2.7
113.02333	44.1
115.03850	1.3
119.03386	21.9
119.04805	1.3
120.03675	1.2
121.02850	7.8
122.03703	0.9
123.00768	2.2
123.04404	7.4
125.02337	22.3
127.03877	1.6
129.01842	2.2
131.03394	10.7
133.02861	1.9
135.04431	13.2
135.09157	0.9
136.04781	1.1
137.02361	8.2
139.03859	2.2
141.01801	4.5
143.03410	23.5
145.04976	1.7
149.02419	2.5
149.04393	1.9
149.05887	1.0
151.00294	15.1
151.03865	2.4
152.00980	3.3
152.04657	1.7
153.01842	1.1
155.03442	2.0
158.10020	1.0
159.02869	3.5
159.04388	0.9
161.02361	2.4
161.04477	47.5
163.03883	1.0
165.01814	3.5
165.05496	1.7
166.01248	1.9
166.02640	38.5
167.03378	4.3
167.07011	0.9
173.04460	4.2
174.37894	0.9
175.03864	1.5
177.01799	2.4
177.05533	1.6
179.03464	6.9
179.05544	9.9
181.05003	39.4
182.05351	1.1
185.04373	1.1
187.11118	1.3
191.05554	18.1
193.04976	1.4
203.05482	2.9
207.06532	1.2
221.06589	30.4
235.08073	1.9
245.06635	31.5
246.07111	1.5
263.07715	28.2
267.71722	1.0
287.07697	1.5
305.08746	2.5
323.09845	28.7
323.13705	1.4
324.10141	1.3
353.08981	1.3
355.09467	1.2
387.10867	7.6
402.13095	3.9
417.15536	19.5
418.15820	2.2
457.41122	1.1
505.20480	1.4
549.20111	1.4
561.19922	1.8
637.34717	1.6
681.36737	1.4
741.25690	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.9
61.98685	2.2
64.14841	0.4
64.25243	0.3
66.57986	0.4
69.44395	0.4
71.01260	0.6
71.15517	0.6
75.00764	0.7
77.03832	2.9
93.03357	0.8
118.87459	0.3
121.02843	100.0
122.03159	2.8
131.30618	0.4
135.04390	1.2
137.02319	0.5
165.01842	72.3
166.02184	2.2
180.05670	0.6
181.06511	3.0
186.34352	0.4
191.03459	1.7
191.05531	1.0
209.11783	6.1
210.12068	2.9
225.05496	1.4
227.12817	1.0
228.13220	0.6
229.68922	0.4
235.08076	0.3
253.09212	0.8
253.21747	0.5
254.09496	0.8
263.29660	0.3
275.20135	0.7
276.20526	0.6
277.21680	0.7
285.03485	0.5
293.21301	3.6
294.21609	3.8
313.07108	2.0
357.06143	11.3
358.06534	1.1
413.53650	0.4
505.25757	0.7
518.19250	0.4
741.14685	3.6
742.14886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.4
61.98703	100.0
64.52393	0.2
71.01255	1.0
86.88918	0.2
87.00763	0.3
88.98717	0.3
89.02337	0.7
101.02331	0.6
163.35152	0.3
173.04561	0.2
204.96568	0.3
209.11801	0.5
211.13362	1.2
253.09274	0.3
269.37527	0.3
279.23294	0.9
280.23654	1.4
281.23920	0.4
283.02573	0.5
291.19919	0.3
293.21252	0.6
294.21597	0.3
397.13266	0.4
398.13858	0.9
399.14124	0.7
416.15021	0.3
764.09619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.8
61.98705	100.0
64.73955	0.3
69.27854	2.0
69.28281	1.3
71.01256	1.9
73.02818	0.5
81.03371	0.6
83.04897	2.4
84.05236	0.7
85.02823	0.7
85.03683	0.3
89.02341	0.8
93.03338	0.5
98.42678	0.3
101.02328	1.1
102.63053	0.3
106.44883	0.3
108.02077	0.9
109.02853	0.4
113.02348	0.8
122.03607	1.5
122.51636	0.3
123.04406	2.2
129.61505	0.3
135.04478	0.9
137.02356	0.7
139.03969	0.4
143.03481	0.3
147.65198	0.3
152.01077	1.3
161.13271	0.5
167.03421	2.9
167.04623	0.4
173.04520	0.8
175.02448	0.4
175.03961	0.3
179.03418	0.5
187.11244	1.2
191.04048	0.5
191.05405	1.9
205.12340	0.8
224.17763	0.4
225.16089	0.9
226.16472	0.9
241.04955	0.3
261.77945	0.3
261.80804	0.3
333.27673	0.3
393.15915	0.3
434.32242	0.3
452.33405	0.5
453.33817	0.6
454.33755	0.4
561.20117	1.1
637.34937	0.6
677.49927	0.6
678.50146	2.0
679.50201	9.0
680.50507	13.6
740.49811	0.7
741.26453	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34460	1.3
57.03321	2.2
59.01248	14.9
61.98702	2.5
69.03304	2.0
69.27677	7.0
69.28101	11.2
71.01254	20.1
71.04897	3.1
73.02798	2.7
78.95796	8.2
80.49531	1.3
83.04868	1.6
85.02830	4.2
87.00764	4.6
89.02312	5.3
94.97978	1.4
96.95886	34.0
96.96825	3.0
97.02827	4.9
97.06443	2.8
99.00761	15.7
101.02326	6.7
111.00684	1.6
113.02325	3.2
119.03349	2.0
123.08060	1.8
125.09618	9.4
136.95856	1.4
143.03450	1.4
145.04988	2.1
151.21303	1.3
152.99472	4.4
161.04419	2.3
163.11186	13.3
171.10176	20.4
179.05533	2.3
181.12259	18.2
199.13283	5.7
201.11278	10.3
207.10216	24.5
225.11273	41.7
226.11784	1.5
227.12871	2.1
235.08215	6.0
243.12355	18.4
253.09187	5.7
277.21732	68.1
278.22058	6.3
281.24835	12.4
293.21362	1.8
313.17999	1.4
397.13596	13.3
398.13779	2.0
415.14621	3.6
461.20154	7.7
479.21152	4.2
553.31970	1.6
721.42053	2.2
739.42725	100.0
740.42889	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	1.5
59.01254	9.2
61.98682	2.3
71.01255	12.3
71.04871	3.1
71.37838	1.9
73.02806	2.5
74.25837	1.5
78.95770	9.1
85.02802	3.4
87.00740	1.9
89.02304	2.2
96.95869	6.4
97.02836	3.1
99.00747	9.9
100.39963	1.3
101.02300	4.9
110.88866	1.5
113.02312	1.6
119.03380	2.0
125.09592	5.6
141.48373	1.4
152.99472	8.5
153.12735	1.8
163.11179	6.3
166.26053	1.4
170.41016	1.3
171.10178	15.6
172.47894	1.6
175.58760	1.4
181.12283	13.6
197.11688	2.0
199.13332	22.4
200.13617	1.8
201.11234	6.8
207.10216	36.2
208.10367	1.4
223.43454	1.5
225.11278	65.2
226.11586	3.2
243.12416	12.7
253.09306	6.9
277.21716	61.3
278.22046	4.4
279.23206	2.5
281.24875	1.6
299.21512	1.6
346.87375	1.4
375.65411	1.5
397.13486	1.6
443.19308	2.4
445.19699	2.1
461.20255	11.3
462.20554	1.5
479.21365	3.9
588.89227	1.7
721.41577	4.9
739.42676	100.0
740.42719	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01250	9.5
61.98703	68.4
62.22893	0.9
63.02277	1.0
66.60024	0.8
69.25066	6.0
69.25494	4.3
71.01243	5.6
72.99216	0.9
75.00744	1.1
81.03326	2.4
83.04888	4.8
85.02827	2.0
87.00745	1.8
89.02344	3.5
93.03326	1.6
95.04922	1.0
97.02834	1.0
101.02339	3.8
107.01262	1.9
109.06478	1.2
113.02346	2.7
113.09624	1.5
117.03387	1.7
119.03406	0.9
135.04443	1.5
151.00194	2.0
159.04463	0.8
161.04556	2.0
161.05870	0.8
163.11218	3.6
164.00977	1.1
165.12761	2.2
171.10176	1.8
173.04478	1.8
173.37012	0.9
181.12306	1.1
182.03545	1.1
183.04440	3.9
183.13927	1.2
191.05585	2.5
191.10710	1.3
195.13863	7.0
196.14497	1.0
204.83432	1.0
209.11771	100.0
210.12088	5.0
211.03957	2.2
211.13342	3.9
223.13306	5.4
227.03493	3.1
227.12839	14.2
235.08191	2.3
253.09256	20.0
255.02969	29.7
256.03531	2.5
271.02582	1.7
275.20148	5.9
283.02475	56.9
284.03204	31.3
285.03900	12.0
291.19742	3.0
293.21216	84.9
294.21613	6.6
300.02734	1.5
309.20810	1.5
338.43002	1.0
375.44757	1.0
424.57547	1.1
437.27997	1.0
446.08627	10.1
447.09045	5.5
507.64246	1.0
577.24274	12.7
577.32239	1.7
578.24976	2.8
579.91412	1.1
739.42657	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.8
57.03318	2.9
57.55850	1.6
59.01252	73.8
59.56625	1.7
70.02395	8.6
71.01257	46.4
73.02824	12.1
79.43887	1.6
83.01272	5.3
85.02818	17.8
87.00724	4.5
89.02312	11.0
95.01260	5.5
96.95897	4.4
99.00744	5.2
101.02322	24.4
101.02933	2.7
105.23532	1.6
108.47726	2.0
111.00770	2.4
113.02338	22.0
115.58142	1.6
125.02340	5.1
134.55724	1.7
143.03400	5.2
161.04482	3.7
164.55090	1.6
191.05487	3.0
227.03497	6.3
255.02950	5.7
257.04153	2.0
276.35065	1.8
284.03217	6.9
285.04001	18.6
286.04309	2.7
291.06653	1.9
324.61511	1.7
384.17014	1.4
473.35068	2.4
491.36166	8.5
528.83875	1.7
553.56604	1.8
559.27576	2.3
577.27417	3.9
635.40149	100.0
636.40399	16.1
653.41199	73.2
654.41461	10.3
695.42133	18.8
696.42438	3.1
719.54944	1.9
739.30396	6.5
740.29828	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	47.7
59.91605	2.4
69.03337	3.2
71.01253	45.0
72.99169	2.5
73.02826	7.4
75.00755	3.2
78.95781	5.7
83.01252	3.5
83.04914	3.3
85.02833	7.6
87.00761	8.1
89.02327	29.4
96.95879	3.6
97.02837	7.1
97.40051	2.2
99.13701	2.5
101.02329	30.2
109.06500	5.5
111.04410	3.5
113.02330	13.9
119.03376	5.9
125.02349	8.6
161.04425	4.4
171.10201	39.3
201.11253	18.1
207.10197	11.3
225.11325	24.3
235.08229	14.7
243.12238	2.4
253.09355	8.9
277.21738	61.8
281.24866	91.0
282.25266	5.0
305.08786	4.3
397.13498	100.0
397.18637	5.9
398.14066	7.2
415.14529	36.2
516.02960	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03321	1.2
58.00452	0.7
59.00948	1.2
59.01252	24.1
61.98706	0.8
65.00195	0.9
68.22361	0.5
69.03339	0.5
71.01258	14.1
71.58476	1.0
72.99182	1.2
73.02819	2.9
83.01265	2.0
85.02824	6.6
87.00782	1.8
89.02303	3.6
93.03362	2.0
95.01266	1.4
96.95905	2.0
97.02814	0.8
99.00768	1.4
101.02328	7.3
102.61717	0.5
107.01263	1.9
109.02863	1.2
111.00780	1.5
113.02332	5.9
119.03381	0.8
121.02895	0.6
123.00748	0.6
123.04374	0.6
124.01508	0.6
125.02337	1.7
125.28751	0.4
132.02087	0.9
135.00763	0.6
135.04434	1.1
143.03400	1.3
143.04887	0.6
149.67249	0.5
151.00290	3.2
153.01797	0.9
159.04448	1.3
161.04460	1.7
163.00287	1.8
169.01331	1.0
171.04440	1.0
171.10170	1.3
173.04474	0.9
173.06010	0.7
183.04443	0.8
185.06059	2.0
187.03918	3.2
189.05482	0.7
191.05479	3.6
193.64484	0.5
195.04477	0.8
197.06015	0.7
199.03873	0.9
200.04710	0.5
211.03949	1.7
213.05615	2.4
221.08260	0.5
227.03458	23.3
228.03864	2.2
229.05019	7.7
239.03383	1.2
240.04161	0.9
241.05060	1.6
255.02977	39.9
255.06476	1.2
256.03537	4.4
257.04562	6.0
267.02899	1.3
267.06589	2.1
279.06442	0.7
283.02478	1.0
284.03256	37.8
285.04047	100.0
286.04333	5.7
309.20706	0.6
403.11642	0.7
447.08649	0.7
453.24994	1.8
473.34766	1.2
491.35861	2.4
544.67279	0.5
559.24023	1.1
577.24133	5.5
635.40118	28.0
636.40106	0.6
653.41125	18.8
695.42181	5.5
739.29749	31.9
740.30115	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.0
65.00191	2.5
69.05988	1.4
83.03382	1.4
90.49033	1.6
93.03315	4.1
96.95847	2.0
98.20551	3.9
107.01238	1.6
121.02840	3.1
123.04401	2.8
133.02847	3.8
136.01579	2.2
151.00264	2.4
159.04326	1.8
165.79341	1.6
185.05882	1.8
187.03918	3.5
191.05496	2.1
199.03766	2.4
203.03497	2.6
211.03931	2.1
225.05589	2.1
227.03459	10.1
229.05013	3.2
239.03468	1.9
240.04172	3.0
241.05038	2.6
253.05066	2.4
254.05733	2.5
255.02919	14.8
256.03702	2.9
257.04291	2.8
265.04971	2.0
267.06497	5.4
269.04514	2.8
281.08261	2.0
283.02478	3.0
283.05997	1.9
284.03284	15.1
285.00980	3.2
285.04065	51.9
286.04413	3.0
289.10788	1.9
295.05829	2.9
297.04080	4.2
298.04807	4.7
309.03943	3.9
309.07538	2.9
309.20615	2.0
311.05673	30.8
312.05933	3.5
324.06378	2.1
325.07144	1.8
330.03607	4.5
335.05432	3.1
337.07193	12.3
338.07266	2.9
342.45084	1.7
343.81177	2.0
353.10645	2.1
372.62393	1.6
377.10635	2.0
387.15680	1.7
389.10300	5.0
391.11694	1.8
399.21835	2.6
403.11951	2.1
405.12851	2.7
405.17130	5.8
412.76563	1.6
439.13913	5.0
440.14673	4.7
447.14355	3.9
448.99908	1.7
507.16663	3.0
559.25287	5.1
576.23413	2.5
577.24103	100.0
578.24683	15.9
619.26025	2.6
656.26141	2.0
739.29724	90.8
740.30231	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26147	0.6
59.01255	5.4
61.98672	0.7
65.00178	2.5
71.01246	1.7
71.16368	1.3
71.90130	0.6
75.79518	0.5
85.02779	0.6
93.03329	5.4
96.95853	1.8
101.60873	0.6
108.02050	1.1
109.02853	0.6
117.03224	0.7
121.02823	0.9
123.04413	2.8
129.03357	0.6
133.02823	1.8
136.01512	1.2
143.04892	0.7
145.02794	0.5
159.04370	1.1
161.02344	0.6
161.05925	0.8
163.00285	1.0
164.00977	0.7
169.06453	0.8
173.02374	0.7
173.05916	0.9
175.03893	1.0
182.31523	0.5
185.05911	1.0
187.03908	0.8
191.05513	1.3
197.06009	1.1
199.03903	1.0
201.01851	0.9
201.05325	0.9
203.10873	0.7
209.05901	0.8
211.03938	1.1
211.07478	1.5
213.05435	1.5
214.02606	1.3
215.03300	0.6
225.01932	1.0
225.05365	0.7
225.09114	1.1
227.03464	4.2
227.10658	2.1
228.03853	1.0
229.04936	1.9
237.05574	0.8
239.03488	1.2
240.04257	1.4
241.04977	1.6
243.10052	0.6
249.05380	0.7
253.04985	1.6
253.08466	0.7
254.05711	0.7
255.02983	3.6
255.06546	2.6
256.03497	0.7
257.04300	0.8
267.06573	0.8
269.08127	2.7
271.09750	1.4
277.05042	2.1
279.06622	3.3
281.08099	0.8
283.02426	2.2
283.09930	0.8
284.03259	5.9
285.00967	1.0
285.04028	13.3
286.04288	1.1
291.06757	1.4
293.04474	0.8
295.06085	0.9
297.03912	0.8
298.04755	0.8
303.06583	1.7
305.07974	0.7
307.05908	1.7
307.09518	0.6
309.03854	1.5
311.05560	2.1
317.08038	1.0
319.09763	0.9
322.04633	0.7
323.05576	2.7
324.06491	4.6
330.03720	1.8
335.05630	11.4
335.09369	1.5
336.06241	1.0
337.07153	1.2
343.10211	0.8
347.12915	1.0
349.07086	1.2
355.11905	0.9
359.05603	0.8
361.07138	5.0
361.10831	0.8
362.07361	0.8
363.08701	1.4
375.08459	5.5
375.12534	0.7
377.13599	0.8
381.20889	1.4
389.10309	6.7
391.11679	0.9
399.21817	1.0
401.09930	0.9
403.11810	7.2
404.12543	7.0
405.13403	20.2
406.13684	2.4
425.19699	2.1
429.13336	0.7
433.12866	1.1
443.20715	1.0
449.58945	0.6
507.16437	2.6
533.18225	0.9
559.23303	11.1
560.23944	1.2
567.18634	10.3
568.18903	1.0
576.23926	1.3
577.24377	100.0
578.24725	15.7
619.25415	3.5
620.25671	0.7
721.28955	0.9
723.08099	0.7
739.29724	34.1
740.29944	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.0
61.98678	0.4
63.02261	0.9
65.00216	0.7
69.63672	2.2
70.96743	0.3
78.95759	0.4
83.01266	0.6
93.03328	0.5
96.95914	0.6
107.01259	1.8
117.03361	1.1
121.02844	0.7
132.02063	0.6
135.00766	0.4
151.00298	3.6
155.04968	0.5
159.04424	1.0
163.00227	0.5
164.01079	0.8
169.12158	0.5
171.04446	0.5
171.10138	0.5
182.03632	0.6
183.04437	4.3
184.04791	0.4
185.02388	0.8
197.02284	0.3
199.03862	0.4
209.11794	1.2
211.03993	3.2
216.51608	0.3
227.03465	3.0
241.05066	0.3
255.02968	38.5
256.03375	2.1
257.41348	0.3
268.26840	0.3
269.04510	0.5
283.02472	100.0
284.03186	29.6
285.03772	3.1
297.04019	0.3
309.04099	1.0
309.20819	0.5
335.05533	0.5
375.08450	0.5
405.13458	1.3
446.08548	28.1
447.08945	2.7
452.02072	0.3
539.05127	0.3
559.23785	2.0
567.18677	1.0
577.24310	8.4
578.24774	1.3
721.29028	0.5
739.29523	4.2
739.39392	0.3
740.29865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	9.6
65.00194	4.6
69.03310	1.0
71.01266	2.3
71.57978	0.8
73.24157	1.0
78.95792	1.5
79.69098	1.1
85.02808	1.7
89.17895	0.9
93.03351	4.3
95.04958	1.1
96.95889	8.4
98.95493	1.0
99.32013	0.9
101.02296	1.1
107.01226	1.4
113.02391	1.7
123.04404	3.5
133.02882	2.4
135.04390	3.7
145.02893	1.2
147.04474	1.0
151.00243	1.9
159.04417	1.5
171.10202	2.1
173.04530	1.2
191.05582	3.8
196.59613	1.0
197.06009	1.6
199.07460	0.9
200.04445	1.1
201.05473	1.0
203.03387	2.2
211.04037	1.6
211.13333	1.3
223.07581	1.0
225.05534	1.8
227.03444	2.6
227.10634	2.7
229.04996	4.1
239.03368	1.2
240.04340	1.7
241.05092	2.1
249.54694	1.2
253.05038	1.1
254.05840	4.0
255.03012	3.7
255.06648	2.2
266.05643	1.3
267.06702	3.0
269.07919	1.9
279.06680	1.5
281.08032	1.9
283.02505	3.8
284.03296	8.4
284.06433	1.8
285.04025	5.6
285.07385	2.0
288.53131	1.1
291.06665	2.6
293.08282	1.2
297.07657	1.3
303.10333	1.2
307.09708	1.4
309.04129	2.3
309.07706	3.2
309.20212	1.2
311.05676	1.3
317.07950	1.5
319.09531	1.2
324.06296	2.5
327.21725	2.0
335.05536	2.8
335.09296	2.2
337.07227	5.4
350.07748	1.2
361.07120	3.5
363.08719	6.0
365.09976	2.0
375.08612	2.4
379.95480	1.1
381.20749	1.6
387.08438	1.4
387.15869	1.3
389.10312	2.0
399.21637	2.0
401.10275	1.2
403.11932	6.8
405.13037	5.1
415.11911	1.6
425.19394	1.6
433.13037	2.0
443.20502	1.6
559.23065	17.7
560.23700	1.6
576.23804	1.3
577.24139	100.0
578.24609	15.1
619.25830	4.4
625.64880	1.2
721.28491	3.2
739.29803	31.1
740.30011	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2091
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
59.01246	1.5
62.24832	0.3
63.02272	0.7
65.00193	1.0
70.40727	0.8
70.41122	0.7
83.01257	0.9
85.02824	0.5
89.02301	0.5
91.01746	0.4
92.55190	0.3
93.03354	1.1
96.95906	1.2
101.02340	0.5
107.01278	2.1
108.02081	0.5
121.02873	0.5
122.79431	0.3
132.02109	0.9
135.00786	1.1
135.04478	0.4
151.00270	3.7
152.01070	0.9
163.00316	0.9
164.01025	0.6
167.04953	0.4
169.01323	1.0
171.04396	0.4
173.04497	0.5
178.99762	1.7
183.04425	1.2
187.03963	1.0
190.99991	0.5
191.05550	3.3
197.05963	0.3
199.03879	0.7
200.04851	0.6
200.94673	0.4
211.04027	2.5
221.08145	1.0
227.03455	49.4
228.03868	3.3
229.04955	2.2
239.03482	1.3
241.05118	0.4
245.09207	0.5
255.02979	88.9
256.03513	9.4
257.04446	2.2
271.18668	0.4
283.02466	2.9
284.03268	100.0
285.03912	17.2
286.04312	0.8
318.35046	0.4
327.05289	0.8
374.22549	0.4
544.15173	0.4
547.13025	0.4
575.14063	1.5
680.91394	0.4
739.20905	62.4
740.21259	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
57.03327	1.0
58.00463	1.5
59.01250	100.0
60.01586	1.1
69.03323	1.1
69.49945	0.6
69.83173	3.7
71.01255	33.9
72.99181	1.8
73.02819	43.9
74.03146	0.8
75.00771	0.5
79.21085	0.5
83.01259	11.7
85.02824	4.9
85.64539	0.5
87.00757	1.4
87.03976	0.5
88.98664	0.7
89.02325	8.6
93.03339	1.2
95.01276	1.3
96.95921	0.6
97.02836	1.2
98.19852	1.0
101.02324	40.6
102.02670	0.7
108.02056	0.7
109.02851	0.9
113.02331	14.5
114.02643	0.6
119.03392	4.1
125.02371	2.5
125.33981	0.7
131.03397	4.3
135.04433	2.5
143.03410	3.9
149.04453	6.9
155.03473	1.2
161.02426	1.0
161.04459	10.9
173.04529	1.1
174.73679	0.6
175.03969	0.6
179.03476	0.8
191.05585	4.6
193.36177	0.6
203.05588	1.6
221.06729	1.9
295.68427	0.6
349.45416	0.6
358.10593	0.5
372.30600	0.6
373.13214	1.1
426.71445	0.7
433.14932	1.2
441.68091	0.6
653.34399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49224	2.8
58.37918	2.9
59.01249	6.4
67.01758	2.4
69.63418	13.1
69.63830	6.8
71.01245	5.4
72.99178	8.2
79.92934	2.7
85.02820	7.1
91.60006	2.7
93.03333	32.1
98.20526	6.3
109.02838	7.1
121.02817	9.2
123.04381	4.0
127.03860	3.0
132.36316	3.3
135.04382	8.7
137.02335	30.7
139.03903	7.4
145.36623	2.7
149.02347	13.2
151.03885	5.0
155.03432	2.8
159.59354	2.9
167.03432	6.4
172.61183	3.0
173.04474	100.0
177.01855	5.0
179.03404	11.1
191.05540	43.2
193.01398	20.2
195.02773	3.4
211.02420	8.1
288.12650	3.4
317.69653	3.0
341.09048	7.1
353.08661	8.4
385.07703	12.2
399.12769	6.1
402.34772	3.1
490.76523	3.3
545.25378	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87259	0.2
59.01245	1.4
61.98703	100.0
71.01256	1.2
82.77025	0.2
84.70242	0.2
89.02337	0.7
89.79654	0.2
101.02327	0.5
102.02620	0.3
113.02340	0.4
125.02350	0.4
151.50769	0.2
161.04454	0.3
179.05591	0.3
229.85347	0.3
236.08582	0.2
277.21628	1.2
278.22079	1.6
279.22491	0.8
310.36414	0.3
397.13580	0.8
398.13815	1.4
399.14047	1.5
400.14478	0.9
415.14627	0.4
416.15237	0.3
417.15237	0.6
418.15729	0.3
546.00275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39570	0.1
59.01255	1.5
61.01698	0.1
61.98705	100.0
62.47470	0.1
62.98402	0.1
69.28532	0.2
69.28933	1.0
71.01258	1.0
72.01608	0.1
73.02834	0.2
85.02829	0.2
87.00770	0.2
89.02316	0.6
97.02852	0.1
98.20623	0.1
101.02321	0.5
102.02663	0.1
113.02351	0.3
115.71293	0.1
119.03400	0.1
125.02348	0.2
161.04480	0.1
167.59363	0.1
202.04691	0.1
209.11879	0.6
235.08275	0.2
236.08644	0.2
247.88155	0.1
253.09268	0.1
255.03069	0.5
258.55933	0.1
265.93356	0.1
277.21744	1.1
278.22092	1.5
279.22385	0.6
280.22690	0.2
283.02429	0.8
284.03387	0.4
293.21262	0.3
388.83377	0.1
397.13550	0.7
398.14008	0.8
399.14188	1.2
400.14285	0.7
415.14859	0.2
416.14835	0.2
417.14938	0.6
418.15784	0.3
577.25024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.8
57.03318	1.1
59.01252	7.5
65.01981	0.5
69.03336	5.2
69.25535	2.0
69.25953	4.1
71.01249	5.9
71.04889	1.2
72.99181	0.5
73.02818	1.5
73.84402	0.6
83.01261	0.9
83.04926	0.6
85.02814	1.5
87.00748	1.3
87.02229	0.5
89.02317	2.8
95.01270	1.2
96.16728	0.5
98.19828	0.9
101.02318	4.2
113.02308	2.2
119.03389	0.6
123.08010	0.7
125.09604	3.4
127.07506	0.7
151.11203	3.4
153.12767	1.2
161.04471	1.9
161.09613	4.7
169.12222	1.5
175.60170	0.7
179.10696	8.4
179.20401	0.5
183.25082	0.5
197.11765	48.5
198.12088	2.5
223.09697	1.8
235.08218	1.0
241.10703	2.1
253.09227	3.5
277.21710	62.6
278.22037	5.1
459.18494	1.3
477.19537	1.5
737.41132	100.0
738.41406	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01255	8.2
59.81002	0.8
67.07961	0.7
69.03346	4.4
71.01243	6.4
71.04891	1.2
71.22766	2.2
83.01264	1.1
83.04891	1.2
85.02830	1.6
87.00721	1.0
89.02336	3.1
96.95911	0.9
97.06518	1.4
101.02340	4.4
113.02332	1.2
123.08013	1.7
125.09598	1.9
128.32500	0.9
133.05042	1.0
151.11157	1.4
152.99481	0.9
153.12715	2.1
161.04456	1.0
161.09642	4.5
169.12326	1.1
179.10707	6.4
197.11771	99.6
198.12125	4.8
223.09605	1.5
240.45941	0.8
241.10765	3.2
253.09245	3.1
277.21729	28.0
278.22025	2.8
302.96597	0.8
306.63586	0.8
407.21207	0.9
459.18643	2.1
477.19778	2.9
623.25836	1.0
719.40155	1.4
737.41132	100.0
738.41437	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	0.8
59.01252	13.2
61.98728	0.5
68.47476	0.4
71.01251	8.1
71.58479	0.9
72.99190	0.8
73.02823	1.3
75.00760	0.6
83.01261	1.6
83.20774	0.5
85.02825	1.9
87.00752	1.5
89.02319	4.5
93.03336	17.5
94.03690	0.9
95.01264	0.6
96.95897	3.4
97.02835	0.6
101.02335	3.6
107.04954	0.6
108.02074	0.8
109.02836	1.1
111.04385	0.5
113.02339	2.3
117.03359	0.6
119.03452	2.6
119.04916	100.0
120.05249	4.5
121.02824	1.0
123.04402	0.8
125.02370	0.6
135.04424	1.9
137.02344	30.5
138.02721	0.5
143.03337	0.5
146.56870	0.5
151.00272	0.6
153.01845	0.6
161.02429	0.9
161.04457	0.7
161.13297	1.6
163.03918	86.3
164.04254	4.3
173.04469	1.3
177.01845	1.0
179.05522	1.5
187.11182	3.6
191.05540	4.9
205.12207	1.2
229.12280	0.8
249.11375	1.2
259.09729	0.5
299.07721	1.4
325.09222	2.3
393.15955	0.9
513.21234	5.3
557.20355	6.9
558.20685	1.4
573.21692	0.7
575.22107	1.1
737.26483	7.3
737.38104	0.9
738.26965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	0.8
59.01252	13.2
61.98728	0.5
68.47476	0.4
71.01251	8.1
71.58479	0.9
72.99190	0.8
73.02823	1.3
75.00760	0.6
83.01261	1.6
83.20774	0.5
85.02825	1.9
87.00752	1.5
89.02319	4.5
93.03336	17.5
94.03690	0.9
95.01264	0.6
96.95897	3.4
97.02835	0.6
101.02335	3.6
107.04954	0.6
108.02074	0.8
109.02836	1.1
111.04385	0.5
113.02339	2.3
117.03359	0.6
119.03452	2.6
119.04916	100.0
120.05249	4.5
121.02824	1.0
123.04402	0.8
125.02370	0.6
135.04424	1.9
137.02344	30.5
138.02721	0.5
143.03337	0.5
146.56870	0.5
151.00272	0.6
153.01845	0.6
161.02429	0.9
161.04457	0.7
161.13297	1.6
163.03918	86.3
164.04254	4.3
173.04469	1.3
177.01845	1.0
179.05522	1.5
187.11182	3.6
191.05540	4.9
205.12207	1.2
229.12280	0.8
249.11375	1.2
259.09729	0.5
299.07721	1.4
325.09222	2.3
393.15955	0.9
513.21234	5.3
557.20355	6.9
558.20685	1.4
573.21692	0.7
575.22107	1.1
737.26483	7.3
737.38104	0.9
738.26965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2667
Annotation	Ligupurpuroside C
Peak:m/z	Relative Intensity
54.75018	0.4
55.70649	0.4
58.00445	0.5
59.01252	12.7
69.30852	2.6
69.31276	2.3
69.83286	0.5
71.01260	7.6
72.99198	0.6
73.02859	0.7
83.01264	1.3
84.41237	0.5
85.02819	2.3
87.00751	1.6
89.02328	4.6
90.98578	0.4
93.03345	2.1
95.01276	0.6
96.95904	1.3
98.55702	0.5
101.02316	3.2
107.04917	0.4
109.02828	1.4
111.00786	1.0
113.02324	2.5
119.04919	100.0
120.05241	2.3
122.06031	0.8
123.04442	0.6
125.02338	0.7
131.93097	0.5
135.04424	1.7
137.02367	1.0
150.03108	0.5
152.00945	0.6
152.07095	0.6
156.70137	0.6
161.02342	1.5
161.04466	0.7
161.13219	1.1
163.03922	94.4
164.04230	3.7
173.04482	1.0
177.01813	0.4
179.05519	1.0
179.60796	0.5
187.11237	5.0
191.03844	0.9
191.05516	4.6
194.67351	0.4
205.12288	1.2
241.14020	0.5
249.11446	0.9
300.02701	0.5
309.11087	0.6
315.12421	1.1
325.09265	3.4
384.14026	0.5
393.15579	1.6
513.21600	4.1
514.21924	0.6
557.20203	9.0
558.20758	1.5
573.21893	0.7
575.21686	0.6
674.27722	0.6
702.35773	0.5
737.26538	9.1
738.26868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.0
59.01253	36.7
61.98703	4.1
63.58160	1.4
65.03827	2.0
65.81724	1.5
67.01759	1.7
69.03320	1.7
69.80418	10.2
71.01254	16.7
72.99184	1.6
73.02811	4.4
74.98270	1.4
78.95762	3.6
83.01261	3.9
84.39346	1.4
85.02827	8.4
87.00764	3.1
89.02326	8.8
91.05428	12.2
91.29823	1.3
93.03336	10.1
93.99144	1.4
96.95907	10.7
97.17272	1.3
99.00749	6.5
101.02329	8.5
107.04892	4.6
108.02022	2.6
109.02834	14.7
109.06481	2.1
113.02322	12.0
116.92780	2.2
117.35995	1.3
119.03384	5.7
119.04936	2.3
121.02849	64.5
122.03647	1.7
123.04455	1.9
125.02312	4.3
127.57845	1.6
133.02885	2.0
134.03641	8.3
135.04425	100.0
136.04752	4.2
137.02370	5.6
143.03365	5.0
147.04425	27.5
148.05208	5.7
152.01009	1.6
161.04457	3.4
173.04445	6.7
177.01794	1.6
177.09131	15.6
179.03372	2.1
189.07445	2.9
189.09151	60.4
190.09499	3.6
191.05580	15.5
192.06020	1.9
199.07487	1.9
203.10707	70.0
204.11081	3.3
209.11624	2.0
215.10666	10.8
241.20647	1.5
253.09241	2.6
291.10968	1.6
309.20642	4.4
325.14465	91.5
326.14804	8.9
365.10739	4.0
487.19696	1.8
501.16040	2.2
631.35828	2.9
649.25140	2.4
656.01038	1.5
691.25983	18.4
692.26508	2.8
697.46155	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46051	2.4
56.25370	2.1
59.01256	22.2
65.03835	2.8
69.75434	13.1
71.01265	9.8
73.02834	6.4
78.95793	2.9
85.02845	6.3
87.00746	3.9
89.02341	5.1
90.41866	2.1
91.05418	5.9
93.03355	7.5
96.95899	23.0
99.83533	2.4
101.02324	6.5
107.04931	3.9
108.02080	6.3
109.02837	15.5
113.02339	4.9
119.04900	2.4
119.56057	2.0
121.02855	38.4
134.03648	10.2
135.04417	100.0
137.02359	6.1
147.04446	23.2
148.05132	4.2
152.01047	5.6
159.04407	3.3
161.02338	6.5
161.04506	2.2
163.03961	3.3
173.04503	7.1
177.09125	11.9
179.03342	2.1
189.09163	45.0
191.05583	18.1
195.04678	2.2
203.10718	91.9
204.11012	2.6
209.11861	2.3
215.10783	12.7
325.14432	68.6
325.18097	4.4
326.14771	5.7
352.85095	2.4
381.78699	2.4
469.18777	8.2
476.00458	2.5
487.19690	44.0
488.20053	5.7
501.89551	2.5
529.20746	38.5
530.21472	4.8
544.10651	2.0
564.20557	2.2
736.27478	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83186	1.9
57.03315	2.8
59.01255	34.8
59.11578	1.6
61.98697	4.3
65.03819	2.4
67.01765	2.3
68.75087	1.7
68.99670	2.2
71.01247	20.6
71.58644	3.3
73.02824	5.7
78.95791	3.0
83.01268	3.2
85.02836	10.2
87.00761	4.4
88.98704	1.6
89.02322	11.3
91.05405	16.7
93.03344	11.6
95.01258	2.2
96.95875	12.2
97.02849	2.4
99.00745	5.0
101.02311	9.9
107.04919	7.5
108.02073	5.4
109.02838	16.2
109.06428	1.6
113.02325	12.4
114.34805	1.9
119.03409	1.9
119.04884	2.5
121.02844	84.4
122.03655	3.3
125.02364	7.1
127.86909	2.0
131.41089	1.7
133.02861	4.1
134.03601	14.9
135.04411	100.0
136.04770	4.4
137.02359	3.9
143.03401	2.4
147.04416	21.8
148.05135	5.8
151.04045	1.8
152.01074	2.4
159.04280	1.9
161.02386	2.7
161.04544	4.0
162.03162	2.4
163.03909	3.2
164.04716	5.8
166.02672	2.1
173.04465	8.8
173.05954	2.8
175.03935	3.2
177.09126	17.0
179.05568	2.5
181.04958	1.7
189.09145	85.0
190.09492	5.6
191.05553	27.3
201.05472	1.8
203.10712	80.0
204.10979	4.8
215.10704	7.9
219.10233	42.3
227.03299	1.8
245.06592	2.1
253.09367	3.5
263.07730	3.9
291.19818	2.0
305.08936	2.0
309.20724	6.7
322.80872	2.1
325.10565	3.8
325.14429	74.7
326.14877	5.6
343.77307	1.9
365.10556	3.0
487.19818	22.6
517.15405	1.9
631.24219	8.9
631.36102	1.9
649.25238	2.9
691.25836	26.0
691.36572	3.3
692.26447	5.4
735.37463	2.6
739.65155	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.6
61.98700	1.1
65.03841	1.9
69.39527	7.2
69.39951	4.0
71.01258	10.9
73.02827	2.5
78.95799	1.8
80.02613	1.2
83.01255	1.8
84.72220	1.1
85.02827	7.3
87.00757	3.7
89.02320	3.5
91.05400	12.4
93.03347	7.6
95.01266	1.8
96.95889	6.0
97.02848	1.2
98.20609	2.5
99.00751	4.0
101.02321	7.1
107.04888	6.7
108.02052	6.2
109.02829	10.4
109.06459	3.0
113.02313	6.4
116.92853	1.3
119.04921	2.0
121.02846	80.8
122.03700	1.9
123.04438	1.9
124.68223	1.0
125.02368	2.4
126.83913	1.2
133.02835	3.1
134.03635	24.7
134.58112	1.1
135.04417	100.0
136.04752	4.7
136.83014	1.1
137.02309	2.5
147.04424	25.0
148.05270	6.4
159.04398	3.1
159.11659	1.3
161.02348	1.7
161.04448	2.0
163.03874	2.1
166.02550	1.5
173.04515	4.0
173.05960	2.7
174.06836	1.8
177.01947	2.4
177.09138	19.6
178.09468	1.1
187.07494	1.7
189.09137	66.9
190.09456	2.9
191.05554	15.0
193.04860	1.3
203.10710	98.3
204.11000	5.5
215.10695	9.9
283.08246	1.5
325.14447	6.4
325.67535	1.4
393.81454	1.2
426.60522	1.3
445.13071	1.8
445.69919	1.1
459.15326	2.3
487.14523	11.2
501.16138	20.5
502.16470	2.1
513.15955	1.2
529.20776	3.5
543.26147	1.7
545.29474	2.7
570.57574	1.3
631.24115	1.4
649.24249	2.8
691.26068	74.1
692.26855	11.0
735.36462	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24873	2.7
59.01253	50.2
61.15578	3.1
61.98728	6.5
62.65732	2.7
71.01247	38.6
73.02833	6.0
78.95748	4.2
81.03305	4.3
83.01244	3.7
85.02817	6.1
87.00752	9.3
89.02322	38.0
95.01189	3.2
96.95895	7.5
97.02864	8.2
101.02324	30.1
113.02318	17.2
119.03378	8.7
125.02366	18.4
130.31053	2.8
134.01591	2.7
139.03815	3.4
143.03372	6.4
161.04422	6.8
163.03853	3.6
165.09100	2.8
167.71452	2.8
173.04501	3.9
179.05513	9.5
191.05527	5.7
202.34288	2.9
211.13300	5.3
235.08144	13.0
253.09145	4.4
275.20154	66.3
276.20526	5.4
290.43271	3.0
349.16885	12.5
390.60333	3.4
397.13501	100.0
398.13745	5.2
415.14532	32.6
673.39954	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09414	1.6
59.01235	3.2
70.81068	1.6
70.96098	1.8
70.96448	4.3
71.01235	2.6
75.00735	3.0
78.95776	86.8
82.18293	1.5
90.86973	1.5
96.96840	8.9
97.98814	2.3
99.92437	1.7
116.92766	2.1
150.97939	32.5
152.71748	1.6
152.84145	1.7
152.99490	100.0
255.11740	1.6
255.23268	56.5
256.23642	4.0
297.03842	2.0
391.22479	7.0
409.23434	6.2
477.10388	4.0
553.27716	16.0
554.28363	2.2
571.29138	2.6
733.34149	69.9
734.34540	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74782	2.5
53.18789	2.1
59.01240	9.7
61.98694	2.1
68.87476	2.2
71.57986	3.2
78.24460	2.0
78.91748	17.7
78.95775	45.7
80.21475	2.5
82.95258	2.4
83.04855	2.5
96.95888	5.6
96.96873	3.8
115.91962	2.7
116.92716	3.4
150.97945	14.5
152.98306	4.4
152.99496	56.7
189.96698	3.0
223.19455	2.7
255.23230	28.6
394.63876	2.6
409.23416	4.4
441.15317	3.3
442.16165	2.7
453.11844	3.7
455.17395	12.0
457.19183	12.0
473.18234	14.6
474.15350	4.1
485.18259	4.8
496.13776	10.4
511.16229	16.1
512.13196	24.6
513.13916	8.2
526.14764	16.1
527.15479	15.3
528.16272	4.3
553.27673	6.5
583.18628	6.4
597.19653	4.0
599.20862	8.9
614.20203	100.0
615.20715	40.3
646.19250	13.3
673.21198	3.5
714.96423	2.8
733.34186	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2577
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
58.23054	5.0
58.23346	3.8
59.00953	5.6
59.01257	100.0
59.77373	3.0
64.66256	3.5
64.88529	3.8
71.06683	4.2
71.07035	10.8
78.95771	4.6
96.95905	13.5
99.92474	5.4
116.92764	6.4
172.70027	4.3
539.15735	6.7
553.17224	9.0
598.20416	5.9
599.21375	6.0
630.19714	5.3
671.23468	14.7
672.24243	4.7
731.25568	59.1
732.26288	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03312	1.0
57.25001	0.5
58.00468	0.7
58.22548	0.6
59.01250	31.1
60.01584	0.7
69.03322	0.7
70.55154	2.2
71.01254	20.1
72.99172	2.0
73.02803	2.2
73.14455	0.5
83.01251	2.0
85.02824	7.4
87.00761	0.7
89.02325	9.0
93.03325	2.0
95.01283	4.3
98.19918	0.7
99.00773	1.2
99.04402	3.9
101.02320	9.6
107.04934	0.6
107.08562	0.9
108.02053	62.2
109.02857	32.7
109.03506	0.5
110.03154	1.5
111.04375	0.6
113.02341	6.4
113.05949	0.5
119.03385	2.3
121.02817	2.1
121.06503	0.7
123.00755	1.8
123.04410	2.6
133.02844	0.8
135.00780	1.1
135.04410	1.9
137.02351	1.6
151.03871	2.2
152.01068	71.6
153.01860	32.9
161.04405	0.9
163.03889	2.1
164.21584	0.6
165.01877	1.5
173.04500	0.8
177.01810	1.1
179.03416	0.8
181.05011	0.6
189.12794	4.8
191.05484	1.9
195.02983	0.8
207.13847	2.1
225.04036	0.6
251.12856	2.1
313.25906	0.6
315.07196	17.9
316.07498	1.0
505.20752	7.8
506.21078	0.6
549.19714	30.4
550.20203	3.9
555.34198	0.7
567.20685	2.3
668.40161	1.0
729.26031	100.0
730.26422	18.3
730.37000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.3
71.01270	2.1
71.21706	3.2
78.95763	2.0
89.02297	1.5
92.07266	1.3
97.53631	1.2
101.02335	1.9
104.11124	1.1
154.61597	1.1
171.10176	91.9
172.10513	3.5
223.05859	1.2
235.08168	2.9
253.09184	7.4
255.23224	3.0
277.21701	100.0
278.22150	8.7
285.51111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.5
62.94175	0.8
71.01245	1.7
71.58392	0.7
77.23110	0.7
78.95782	0.9
89.02303	1.6
101.02351	1.1
113.02331	0.9
125.09596	0.7
127.11139	1.5
138.39874	0.7
161.04524	0.8
171.10184	100.0
171.72330	0.7
172.10545	4.4
231.76999	0.7
235.08197	1.6
253.09258	4.5
255.23238	1.7
272.97018	0.7
277.21732	44.6
278.22021	4.6
313.10007	0.8
407.19351	1.4
427.80286	0.8
643.49274	0.8
689.50928	0.8
697.73352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2553
Annotation	Erythro-carolignan E
Peak:m/z	Relative Intensity
59.01239	2.0
61.98696	3.6
67.58464	0.9
71.04855	0.9
71.57954	1.8
78.95780	1.2
89.03835	2.8
93.03310	1.3
97.97247	1.0
105.03352	1.6
108.02087	1.0
109.02832	1.5
117.03320	2.6
119.04886	3.2
121.02826	4.3
123.04393	1.5
127.37864	1.1
132.02069	13.9
133.02872	13.5
134.03645	100.0
135.04478	17.7
136.01543	4.2
137.02350	12.7
139.03926	2.9
145.02849	2.0
147.04388	3.2
148.05186	5.5
149.02364	1.2
149.04868	1.2
149.06003	20.7
150.03137	2.3
150.06290	1.5
151.03902	2.4
160.01584	41.4
161.02368	10.1
162.03076	3.5
163.03908	3.4
165.05467	1.4
175.03929	58.9
176.04355	3.2
177.05431	1.6
178.02641	30.0
179.03413	18.1
191.05582	2.6
192.04272	5.4
193.04997	75.9
194.05365	2.5
205.78432	1.1
207.06480	2.3
216.79231	1.1
313.17950	1.5
335.19388	1.0
341.10229	1.2
342.10992	10.3
343.11685	4.2
353.10083	2.9
356.12494	3.4
357.13464	19.0
358.13995	2.5
371.11426	1.5
394.73004	1.1
397.12775	3.2
411.14566	1.3
440.06055	0.9
440.51385	1.2
464.71033	1.1
503.17065	12.0
505.18506	5.3
517.18640	3.2
535.19635	1.7
553.20801	11.8
554.20959	1.4
644.48254	1.1
711.25226	1.7
729.25555	33.2
730.26093	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93351	2.7
59.01253	57.2
62.21896	2.9
71.01254	32.2
71.58026	2.8
72.99186	2.9
73.02811	6.8
74.19615	2.9
82.95292	4.9
83.01250	6.9
84.95001	6.0
85.02827	8.6
87.00738	6.4
89.02316	27.7
97.02866	3.7
101.02325	24.1
113.02319	10.2
119.03396	6.9
125.02313	6.3
143.03438	4.4
151.54352	2.9
152.99429	4.0
161.04456	8.0
169.12273	9.1
171.10152	17.4
179.05539	5.2
209.27948	3.1
235.08147	10.0
253.09225	5.2
269.24860	70.7
270.25223	9.7
277.21771	22.7
284.07965	3.0
287.07761	3.7
289.99689	3.7
306.63556	3.1
397.08371	6.3
397.13498	100.0
398.13998	9.0
415.14658	29.4
416.14743	3.9
482.15469	4.4
556.19342	14.0
643.23236	4.2
675.22345	7.2
727.42877	34.2
728.42822	5.1
759.00250	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55828	2.6
59.01251	64.4
71.01252	31.5
71.58905	5.0
72.99177	3.3
73.02803	6.3
78.95802	4.9
83.01243	3.1
84.94984	2.4
85.02826	7.0
87.00744	4.7
89.02329	24.1
101.02316	21.2
113.02339	10.5
119.03368	7.0
125.02336	9.0
135.14862	2.4
152.99498	2.8
161.04492	3.0
169.12267	23.5
171.10182	45.7
178.13577	2.8
179.05423	5.2
213.11327	3.2
220.71313	2.9
235.08257	12.8
253.09436	3.0
255.23486	2.8
269.24838	64.5
270.25171	6.0
277.21732	57.0
278.22073	3.9
287.07529	3.8
305.08838	4.8
397.13483	100.0
398.13791	6.8
405.34518	2.7
411.94669	2.8
415.14520	31.3
467.21362	2.7
525.48492	2.8
556.19177	9.3
571.28766	4.1
667.38599	3.3
709.41809	6.9
727.42743	89.3
728.43481	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	2.4
59.01253	54.2
69.36837	16.4
69.92522	1.8
71.01255	33.9
72.99168	3.4
73.02823	26.4
81.03319	2.5
83.01286	9.1
83.70640	1.8
85.02840	10.1
85.28925	1.7
86.81960	2.3
89.02300	12.2
90.01299	1.9
93.03339	4.2
95.01257	3.5
98.20642	2.0
98.88664	1.8
101.02327	24.5
108.02050	57.7
109.02841	63.9
113.02329	9.8
119.03369	4.8
121.02828	3.3
122.07257	2.1
123.00739	3.1
123.04374	12.5
134.58978	1.8
135.04376	4.6
151.03879	4.0
152.01054	69.1
153.01843	63.0
153.05450	13.4
154.02142	2.1
154.96635	2.1
161.04408	6.0
161.05988	5.8
187.11235	5.8
191.05502	5.2
193.78166	2.1
271.08020	2.3
299.12860	34.0
311.40121	1.9
315.07205	27.0
316.07431	2.0
328.21872	2.3
503.19116	18.6
521.20325	11.9
547.17932	24.5
667.38629	3.2
683.25427	19.5
684.26251	2.2
727.24506	100.0
728.24951	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90905	9.9
59.01250	97.2
61.98693	19.5
62.43784	9.0
66.83153	10.1
67.01756	9.8
71.01258	28.9
71.57513	10.5
71.57937	13.9
72.13383	10.3
72.19740	10.2
73.02827	15.8
75.18913	9.8
77.73584	9.4
77.74022	9.4
78.44432	10.7
79.73163	11.1
85.02813	20.0
87.00742	12.1
88.98711	9.2
89.02306	22.3
96.95888	24.3
97.02843	13.6
101.02322	18.2
108.02020	12.7
109.02854	21.0
113.02328	17.3
117.03339	31.3
119.03443	13.1
119.04910	81.8
120.91563	10.8
125.02333	15.6
132.81902	10.4
135.04398	14.8
137.02275	16.2
145.02852	49.8
151.03876	11.7
152.01007	22.2
161.02219	11.3
163.03922	66.7
173.04393	17.3
191.05510	61.4
211.13483	11.9
214.03227	9.9
223.13608	10.1
223.67567	9.8
235.16907	10.8
238.39743	9.8
261.42825	12.4
275.19992	13.8
285.80869	9.9
291.19553	22.6
293.21307	79.2
309.20901	14.6
327.21848	14.1
389.58160	9.4
397.13403	100.0
414.87213	9.6
415.14603	35.7
420.09070	13.5
599.60913	11.2
623.30579	11.5
727.23126	28.6
727.33386	36.2
728.34686	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.0
59.00954	2.8
59.01252	52.2
60.62634	1.6
60.75301	1.9
65.64867	1.7
66.20187	1.6
66.34411	1.7
69.43935	17.0
69.87408	1.4
71.01258	31.6
72.99184	1.8
73.02822	5.5
81.03343	2.5
83.01248	5.3
85.02843	11.3
87.70125	1.6
89.02316	15.5
93.03307	3.0
94.22164	1.7
95.01251	4.5
98.20580	2.0
99.00752	2.2
101.02325	12.0
108.01383	2.6
108.02065	43.7
109.02845	80.6
113.02330	12.2
119.03384	3.8
121.06480	5.0
123.00734	3.3
123.04422	12.5
125.02268	2.2
135.00739	3.4
151.03859	2.4
152.01062	62.6
153.01846	100.0
153.05376	9.8
154.02179	1.9
161.04462	2.3
161.13287	4.8
163.03912	2.6
177.01869	12.2
187.11108	2.6
191.05524	4.1
205.12213	2.1
220.06358	1.9
221.15636	2.0
269.07935	2.1
315.07217	23.8
322.56287	2.0
364.77243	1.9
393.15503	3.2
464.59879	1.7
503.19003	9.8
504.19025	2.0
547.18091	20.6
548.18372	2.8
565.19287	2.6
667.39258	17.9
685.40363	9.5
727.24512	90.5
728.24854	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.5
57.03320	5.8
59.01253	43.4
62.95134	1.3
67.01773	4.1
68.99690	2.9
69.03331	9.3
70.40099	1.2
71.01256	20.2
72.99191	2.2
73.02819	14.4
81.03343	4.1
83.01249	6.3
83.04905	3.8
85.02824	63.8
87.00753	100.0
89.02319	1.8
93.03348	10.2
95.01262	23.5
97.02835	24.8
99.00752	3.0
99.04422	5.9
101.02338	2.1
103.03894	8.0
108.02032	2.9
109.02831	9.6
111.00790	10.4
111.04402	2.5
113.02332	19.9
115.00258	13.0
115.03935	2.4
121.02842	2.4
123.04429	3.0
125.02316	4.1
127.03896	18.2
135.04405	2.6
137.02333	13.0
139.00272	16.2
141.05556	1.8
145.04953	7.2
153.01877	3.2
155.03415	4.0
157.01337	12.5
169.04984	4.4
171.02882	1.9
173.04510	3.9
175.02400	52.0
176.02710	1.4
181.01318	1.2
191.05563	4.1
199.02426	38.8
200.02757	1.6
209.96054	1.3
217.03485	19.5
272.29291	1.4
285.06168	2.8
301.05759	1.9
303.07211	19.2
315.07364	3.5
321.08316	6.7
345.08258	5.6
387.09277	15.6
388.09805	2.0
405.10287	4.2
521.11316	2.3
525.01611	1.4
563.12598	3.1
581.13751	2.0
610.22748	1.5
623.14502	8.2
685.18262	1.5
709.18134	11.3
710.18781	1.7
727.19421	14.2
728.18982	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.8
59.01257	37.0
63.02246	4.5
65.00214	22.8
69.45446	33.0
69.45864	11.1
71.01258	19.6
72.84890	4.3
72.99181	6.7
73.02807	6.0
75.00760	6.4
83.01264	14.6
87.00761	6.4
87.60566	4.5
89.02326	7.4
93.03318	16.3
96.95839	5.0
97.75332	4.3
98.19843	10.2
99.00777	5.6
101.02339	5.4
107.01283	17.9
108.02055	5.3
109.02838	14.3
111.00745	21.9
113.02286	4.9
117.03347	6.8
121.02826	9.2
123.00770	20.3
125.02331	17.0
128.79500	5.5
132.02104	5.4
133.02855	5.8
135.00795	6.6
135.04413	16.3
137.02348	17.0
137.06052	5.5
139.00261	45.6
141.01874	5.1
143.04974	5.3
145.02910	5.5
149.02354	17.5
151.00291	80.8
151.03885	5.6
152.00993	9.5
153.01817	12.6
155.04774	4.9
156.00563	8.5
159.04501	7.5
161.02354	8.6
163.00244	15.2
163.03976	7.4
164.01060	6.7
164.98164	8.9
165.01779	7.8
165.98961	7.4
166.99768	10.7
169.01370	10.6
171.04478	5.5
173.04483	10.1
175.00307	19.6
175.03928	11.3
177.01944	5.5
177.99052	5.6
178.99818	35.6
179.03445	5.9
183.04460	11.5
187.03897	6.4
189.01828	5.5
191.05531	38.7
193.01385	20.3
199.03844	12.0
203.03442	7.9
206.99368	25.8
207.00989	5.3
208.00085	8.8
209.00845	5.6
215.03371	16.4
217.01291	4.7
223.06076	13.8
227.03410	26.3
228.03761	5.5
229.05051	6.1
231.02931	11.2
233.00722	6.3
241.01384	8.1
242.02121	9.0
243.02904	18.8
245.01105	6.8
255.02911	31.1
256.03409	6.5
259.02380	12.6
270.01706	16.8
271.02487	100.0
272.02975	10.9
273.03790	6.1
283.02441	26.0
284.03162	7.8
285.04007	16.1
287.01996	51.6
288.02716	5.0
297.03983	6.9
298.01196	11.5
299.01971	76.6
300.02682	10.0
301.03534	17.6
312.02588	5.4
315.01526	85.1
316.02094	26.0
317.03067	32.9
318.03778	5.3
319.06671	10.9
341.05063	19.9
370.05264	6.2
413.07333	13.7
433.07666	11.6
447.09122	5.8
451.08951	6.7
461.07288	86.9
462.07730	18.5
463.09195	6.1
478.07474	23.9
479.08517	24.6
482.27518	5.2
489.10367	9.2
503.08185	26.0
505.09854	5.0
521.09399	73.8
522.09747	8.0
641.14075	5.9
683.14581	78.2
684.15167	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85481	2.4
66.55342	2.8
69.94501	5.8
69.94911	9.6
71.01255	7.3
71.22504	3.0
73.02850	3.9
78.95778	23.8
80.96391	7.6
96.96819	3.1
101.02338	4.6
112.03027	3.0
116.92742	12.9
145.04974	3.2
152.46704	2.9
152.99474	9.9
161.04468	2.9
164.98494	3.5
165.12779	6.2
171.10178	21.0
183.13849	50.5
209.11757	8.5
227.12900	4.5
235.08228	3.7
237.20457	3.0
241.01253	7.5
253.09195	3.9
255.23305	20.3
279.23279	100.0
280.23715	8.1
287.52039	2.9
306.86072	3.2
725.46570	43.6
726.45496	8.7
745.55750	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.8
63.23553	2.0
65.00195	2.8
65.69498	2.1
69.48608	18.4
71.01246	2.4
83.01215	2.8
107.01243	4.4
109.02824	4.3
109.99995	3.0
111.00778	3.7
116.31660	1.9
123.00779	2.6
123.04519	2.2
125.02326	5.0
133.03862	2.0
137.99513	2.6
139.00269	11.4
139.03888	2.3
149.02385	5.2
151.00281	14.2
152.00937	1.9
161.02341	3.5
163.00250	3.7
164.01013	3.8
164.98190	6.8
165.82733	2.1
165.98990	7.3
166.99788	5.1
169.01328	2.2
171.04451	2.6
175.00266	8.1
177.01855	3.1
177.99028	4.4
178.99750	11.6
183.04439	2.7
187.03920	6.6
189.01875	5.0
191.05530	6.5
194.99278	2.9
199.03929	5.1
201.01859	3.9
203.03423	4.9
209.95619	2.3
214.02768	2.2
215.03458	5.1
227.03477	8.2
231.02948	7.6
241.01431	3.7
242.02119	3.8
243.02882	12.0
245.00917	3.3
255.02966	5.6
259.02472	8.8
270.01675	7.5
271.02432	54.5
272.02942	5.9
273.04123	4.1
287.01968	50.8
288.02435	7.1
298.01089	3.8
299.01990	21.6
300.02591	3.4
301.03561	4.9
315.01459	100.0
316.02182	56.8
317.02975	53.7
318.03439	6.3
433.07889	3.5
461.01266	3.5
461.07278	45.1
462.07648	6.9
478.07391	20.4
479.08078	14.4
499.57208	2.1
503.08328	5.1
521.09308	56.8
522.09564	6.9
639.15228	3.7
641.13031	4.8
665.13855	4.0
683.14642	94.3
683.96301	2.2
684.15265	18.4
719.81256	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01582	0.8
61.98711	1.0
68.87680	0.5
71.01265	1.9
73.02819	1.1
85.02818	1.1
93.03375	0.8
96.95939	0.7
97.02789	0.5
98.29695	0.5
101.02357	1.7
109.02846	0.8
113.02366	0.8
128.26416	0.5
135.04425	1.8
161.04506	0.6
191.05629	1.4
229.52614	0.6
296.90680	0.6
311.76529	0.5
371.10992	0.6
420.93262	0.5
442.16681	0.5
489.49533	0.6
563.26288	0.6
605.37311	1.1
623.38098	1.7
665.38879	0.9
699.01520	0.7
749.48566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	3.5
59.01246	43.0
61.98701	5.5
69.03345	1.9
71.01250	25.0
71.57204	3.0
72.99175	6.6
73.02831	4.6
78.95773	2.0
85.02824	6.8
87.00759	6.2
89.02316	24.9
91.86586	1.9
93.03316	2.1
95.01282	3.5
97.02837	4.9
101.02329	20.2
113.02324	10.8
119.03405	8.0
121.60592	1.9
125.02337	10.4
130.39328	1.9
135.04417	3.1
143.03424	5.7
161.04456	3.5
179.05444	4.7
196.16321	1.9
235.08258	9.9
267.23282	77.5
268.23615	5.0
287.07602	4.5
305.08838	6.3
376.08112	1.9
397.13467	100.0
398.13937	6.0
415.14566	34.7
416.14697	4.5
597.89642	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	6.6
56.18116	2.0
57.03313	6.2
58.00460	2.8
59.01251	100.0
59.48767	1.9
69.26479	9.8
69.26902	12.1
71.01256	68.2
72.99190	3.4
73.02811	17.0
78.01661	2.0
83.01247	13.4
83.04921	2.9
85.02824	31.5
87.00751	8.8
89.02320	27.4
90.52792	1.6
93.03345	6.4
95.01255	5.4
96.95897	3.9
97.02808	3.5
99.00716	5.1
101.02316	39.3
109.02812	3.6
111.00764	6.0
113.02334	35.5
113.50011	2.0
118.97961	2.8
119.03395	8.5
124.01611	2.7
125.02325	8.3
128.45607	2.0
135.04411	7.3
143.03413	6.3
159.02885	2.2
161.04485	4.5
163.03761	2.9
171.10199	2.8
173.04422	7.7
179.03358	2.7
179.05614	4.6
191.05542	20.1
222.81996	2.2
231.10014	3.0
315.25381	8.1
327.21725	3.3
365.13675	2.5
393.19208	2.2
452.22125	2.0
459.29446	9.6
477.30673	20.9
478.30862	3.0
503.33545	2.7
521.32971	5.7
621.34894	98.6
622.35400	13.6
639.35956	84.8
640.36304	15.2
665.38867	2.7
681.36682	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	8.7
59.01253	7.7
69.39039	15.5
71.01253	3.7
85.02811	2.1
89.02309	1.8
93.03329	3.7
96.95889	1.6
99.04382	3.1
101.02296	4.5
109.02833	2.1
122.05998	3.2
123.04427	1.4
126.05489	3.2
135.04393	5.0
137.02237	2.2
156.06577	2.8
160.03912	1.7
161.04536	1.9
173.04507	4.5
175.03856	2.0
176.07062	2.4
177.01814	7.1
179.03442	2.8
191.05574	11.9
205.08604	1.7
217.72354	1.7
218.08195	2.6
221.08102	3.4
227.11809	2.0
230.06967	4.0
242.06865	4.5
243.07544	2.8
258.06372	3.4
259.07169	2.6
267.11386	2.4
269.12860	3.2
271.07230	2.0
273.08160	1.7
295.10907	2.6
298.15646	4.1
336.13702	2.0
338.15149	2.2
364.12991	4.5
382.13904	2.4
383.13492	5.3
389.15945	14.7
396.15695	2.6
419.16986	2.2
458.15939	5.1
470.15378	4.0
488.16736	11.6
489.07867	1.8
544.19238	4.2
677.24200	2.4
689.25360	2.1
695.25433	7.8
700.66168	1.7
707.25696	14.3
708.25824	2.7
725.26685	100.0
726.26959	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45199	1.5
54.09609	1.3
57.03330	12.6
59.01255	9.4
65.11874	1.2
70.98221	2.0
70.98559	3.6
71.01266	7.5
73.02784	1.3
81.53081	1.4
82.02869	1.8
85.02821	4.1
87.00771	1.5
89.02322	2.6
93.03319	6.1
96.17542	1.4
96.95901	2.2
99.04398	4.7
101.02311	5.5
106.06461	1.6
108.02068	1.5
109.02811	3.5
113.02317	3.5
122.06016	3.7
122.82088	1.5
124.03918	1.8
125.02328	2.7
126.05491	2.0
133.02824	1.7
135.04399	6.2
137.02310	3.1
150.05496	1.9
151.03857	1.9
152.01024	1.6
153.01845	2.6
155.55382	1.4
156.06589	3.3
160.03938	2.0
161.02356	2.7
161.04546	2.3
173.04486	5.3
175.03922	2.6
176.07144	2.3
177.01843	8.7
179.03430	3.8
180.04170	1.9
190.06285	4.0
190.08569	1.8
191.05540	14.5
191.07021	1.7
205.08621	3.0
207.06572	1.6
208.07298	1.3
215.11729	1.8
218.08197	2.2
221.08154	1.7
227.08354	2.3
227.11726	1.7
230.06950	4.6
231.07753	1.8
235.10754	2.8
241.09746	2.7
242.06982	2.4
243.07664	1.5
255.11217	2.0
258.06488	2.0
259.07120	2.2
267.11359	2.9
269.12885	3.2
270.06607	1.9
293.09476	2.3
295.10916	2.1
298.15582	4.8
310.12082	2.4
310.15536	3.4
322.12149	2.3
324.13260	1.6
336.13489	2.4
338.15189	2.5
348.13443	2.1
350.14832	2.0
364.12903	5.6
376.13004	3.8
382.13968	3.9
383.13446	2.3
389.16058	23.4
390.16574	1.4
394.14148	2.0
414.16742	1.7
419.17007	6.4
458.15637	8.2
470.15717	5.4
488.16812	11.1
544.19403	2.2
554.70459	1.6
665.24408	4.5
677.24500	3.1
695.25836	6.8
707.25702	14.8
708.26215	2.1
725.26678	100.0
726.27087	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.3
57.03329	3.8
57.30618	1.8
58.24559	2.0
59.01252	100.0
59.59204	2.4
62.99091	1.9
63.49203	1.8
71.01254	62.7
72.99188	4.4
73.02823	69.8
75.00725	2.5
79.64465	2.0
83.01258	20.5
85.02833	10.1
87.00761	4.2
89.02309	12.1
91.05407	7.1
93.03319	15.1
95.01247	1.8
96.95899	2.5
97.02800	2.5
99.00789	1.9
101.02328	54.2
108.02036	4.8
109.02827	10.1
111.04408	3.6
113.02336	19.8
118.97992	6.0
119.03375	6.0
121.02856	9.6
125.02346	6.1
131.03416	5.7
133.02867	3.8
134.03621	8.7
135.04422	60.3
136.04790	4.4
137.02298	2.7
143.03418	6.7
147.04469	2.0
149.04466	4.5
151.03934	5.5
152.01001	3.5
153.01715	1.9
155.03357	2.1
160.05139	2.0
161.02385	4.8
161.04475	10.7
161.05692	2.1
165.05478	2.6
171.10089	2.4
173.04478	23.9
175.07599	5.1
177.01881	3.0
177.05528	2.1
190.02609	6.0
191.05556	39.7
192.05835	2.6
193.08604	2.7
205.04951	4.5
239.76390	2.1
297.11340	63.3
298.11490	9.0
315.12369	8.3
327.12271	3.0
327.21716	4.3
367.10394	9.8
368.34390	2.2
389.25421	13.2
477.17545	3.7
519.18762	89.6
520.19238	16.0
533.20160	6.1
563.30786	20.6
621.22491	2.2
639.23041	3.6
665.36902	2.9
681.24170	57.5
681.34802	6.0
682.24445	12.0
725.24298	7.8
725.36353	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93468	0.2
59.01251	6.1
69.03329	0.2
70.18405	1.1
71.01258	4.4
73.02828	0.8
78.95795	0.7
80.02567	0.7
81.03312	1.1
83.01273	0.9
83.04897	3.5
84.02032	0.6
85.02827	1.1
87.00752	1.1
89.02318	2.2
91.03838	0.2
95.04914	0.6
97.02782	0.3
97.06418	0.2
98.20517	0.3
99.00748	0.4
101.02325	3.3
113.02313	1.4
113.38174	0.2
119.03395	0.7
125.05977	0.4
131.03455	0.3
133.04962	0.4
135.08026	0.4
145.04961	0.9
148.34985	0.3
148.36288	0.3
152.99515	0.7
161.04466	1.5
163.11189	3.1
165.12782	2.0
174.49953	0.3
179.05428	0.3
181.12267	0.7
183.13753	0.3
191.10690	0.5
209.11772	79.4
210.12077	4.5
225.11287	0.4
227.12849	9.5
228.13205	0.7
233.22661	0.3
235.08197	5.9
253.09259	9.2
254.09695	0.3
277.21719	100.0
278.18976	0.5
278.22058	9.4
382.61713	0.3
445.20630	0.6
738.58191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.8
70.80157	0.7
71.01250	5.1
73.02821	1.8
78.95783	2.4
80.02531	1.0
83.01276	1.4
83.04908	2.5
85.02837	0.9
87.00753	1.4
89.02319	3.6
101.02323	5.1
109.06512	1.1
113.02322	2.1
135.08089	0.9
152.99521	1.4
158.50790	0.8
161.04492	1.2
163.11201	3.1
165.12779	2.6
181.12154	0.9
183.13829	23.2
184.14194	1.5
190.31796	0.8
199.13327	6.7
207.10242	1.2
208.10562	1.0
209.11784	60.2
210.12140	2.8
225.11287	1.5
227.12828	25.0
228.13237	1.2
229.68588	0.8
234.91649	0.8
235.08167	4.7
253.09311	10.7
253.21838	0.8
277.21729	100.0
278.22098	10.1
282.13776	0.8
349.41864	0.8
445.20810	2.6
463.21765	6.6
469.14874	1.3
705.36798	0.8
717.69604	0.8
718.29889	0.9
723.43268	11.4
724.43378	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
52.80273	0.6
55.01788	0.8
59.01252	7.2
69.03303	0.6
70.88199	0.7
70.88525	1.0
71.01254	6.7
71.06616	0.5
71.39291	0.6
73.02831	1.7
73.04950	0.6
75.68932	0.7
85.02823	1.4
86.93904	0.6
87.00735	1.2
87.66606	0.6
89.02309	3.1
93.01366	0.6
97.06453	1.0
101.02322	4.7
111.08048	1.8
113.02313	2.5
115.86973	0.6
119.03328	0.7
135.42921	0.6
145.04994	0.6
161.04431	2.2
165.12761	10.1
166.00436	0.6
183.13832	70.8
184.14154	4.4
209.11768	3.6
227.12860	4.7
235.08156	3.3
253.09268	7.8
277.21719	100.0
278.22079	10.6
306.43698	0.6
445.20676	2.2
463.21863	2.6
513.30804	0.7
723.43237	60.2
724.43488	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.6
64.42789	0.3
66.94540	0.2
69.83565	0.9
69.83978	0.5
71.01244	2.5
72.99152	0.3
73.02819	0.7
76.68194	0.2
80.02570	1.1
81.03337	1.2
82.38130	0.2
83.01264	0.6
83.04897	4.9
84.02054	0.8
85.02821	0.4
89.02324	1.6
93.03327	0.2
95.01268	0.2
95.04921	0.7
97.06415	0.3
98.19820	0.2
101.02321	2.1
113.02336	1.3
117.94798	0.2
125.06006	0.6
135.04422	0.6
135.08055	0.8
147.11705	0.2
147.73338	0.2
161.04457	0.9
161.05887	0.2
163.11203	3.5
165.12753	1.8
179.05537	0.4
179.07037	0.3
181.12260	0.7
191.10674	1.0
199.13217	0.3
209.11777	100.0
210.12122	5.9
225.11328	0.3
227.03883	0.2
227.12845	11.3
228.13206	0.8
235.08168	1.2
253.09253	7.3
254.09552	0.4
254.57832	0.3
277.21725	45.6
278.22052	5.4
307.65634	0.2
309.04843	0.2
387.73419	0.3
445.20865	0.6
446.20642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.1
59.01253	100.0
60.01597	2.6
69.33995	25.3
71.01250	49.8
72.99178	4.5
73.02824	19.9
74.46035	2.3
75.00732	2.2
79.09340	2.3
83.01237	8.6
83.04884	2.6
85.02827	24.7
87.00747	7.8
88.98704	3.4
89.02326	15.8
93.03331	10.1
95.01285	4.2
96.95881	7.2
97.02840	4.5
99.00772	6.6
99.04434	5.6
101.02325	24.5
108.02052	3.7
108.76690	2.4
109.02831	5.5
113.02343	24.3
119.03368	7.9
119.04864	2.5
121.02839	2.9
121.06367	2.4
123.04460	3.8
125.02331	8.3
128.36302	2.6
133.02866	2.8
134.31596	2.9
135.04396	9.8
137.02290	4.8
137.95410	2.3
143.03371	4.4
161.04451	4.7
171.10210	5.4
173.04546	12.6
174.01378	2.6
176.00934	2.8
177.01839	4.3
179.03444	3.6
191.05553	26.3
209.11839	4.2
217.15410	2.7
231.68597	3.0
313.23810	3.8
325.20190	9.4
367.24365	2.7
373.25772	3.7
387.23758	4.0
439.26953	6.5
457.27829	5.5
475.29199	31.9
517.30145	3.4
519.31610	13.4
561.30334	5.2
601.31885	3.2
608.90216	2.7
614.74109	2.5
619.33264	57.9
620.33533	9.8
637.34351	63.0
638.34723	7.2
639.35553	3.8
679.34839	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39449	0.3
52.09806	0.3
52.76898	0.3
59.01250	1.2
64.50226	0.3
65.03842	1.5
67.01746	0.5
67.06445	0.3
69.29051	3.4
71.01257	0.7
91.05412	8.4
93.03339	2.0
96.95938	0.4
98.20564	0.7
109.02834	12.5
109.98281	0.3
110.03195	0.5
121.02844	11.9
122.03221	0.5
135.04416	100.0
136.04744	2.9
147.04411	5.4
159.04443	2.4
177.01871	0.4
191.05534	1.1
191.10638	1.8
202.09909	1.2
217.12285	18.2
218.12643	1.4
339.15994	42.5
340.16293	3.9
501.21307	46.0
502.21704	5.9
626.95239	0.3
653.83844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44855	1.0
51.04662	0.7
55.01754	0.9
57.03319	3.9
57.58776	0.7
58.00468	2.1
59.01250	41.7
67.55462	0.7
69.03329	2.6
70.70369	0.9
71.01254	25.7
71.58237	1.0
72.99167	2.7
73.02830	5.3
81.03338	1.6
83.01263	2.6
83.04867	1.1
85.02828	8.1
87.00745	6.4
89.02318	17.8
93.03333	2.3
95.01251	1.6
95.04913	1.2
96.95885	3.4
97.02802	3.9
97.06438	1.0
99.00748	2.1
101.02323	17.2
107.04920	1.3
108.02029	1.1
109.02825	2.3
109.06490	2.1
111.00776	1.4
111.04419	1.0
111.08016	1.2
113.02324	9.1
116.92757	1.1
119.03400	4.4
121.06479	1.7
122.03590	0.8
123.04412	5.2
123.08034	8.3
125.02351	5.8
125.09584	3.8
130.25020	0.8
131.03365	1.1
135.04382	3.7
137.02327	1.6
139.11174	3.5
142.02606	1.9
143.03391	2.4
149.05945	1.4
149.09627	1.3
151.03911	1.8
151.11160	2.1
152.01158	0.8
155.03410	1.0
155.14322	1.6
161.02425	1.0
161.04413	2.9
167.03465	1.3
171.10156	2.2
173.04507	2.6
177.01794	1.3
177.12808	1.3
179.03552	0.8
179.05505	2.5
183.10194	0.8
185.11783	0.8
189.05380	1.2
191.05499	6.0
191.14261	0.9
199.13345	14.0
201.11269	4.4
209.11700	1.1
213.11322	3.9
221.06616	2.6
221.11760	2.2
227.60175	1.0
235.08138	2.4
238.12132	2.2
245.19142	6.0
247.17076	1.3
253.09239	2.2
261.18640	0.9
263.07617	0.9
271.16995	1.4
289.18091	35.0
290.18491	2.4
291.19730	2.1
307.19138	45.0
308.19516	3.8
313.18112	1.6
325.20178	11.0
326.20517	1.4
331.19098	1.7
397.13519	2.1
415.14551	14.2
416.14664	1.1
427.23178	0.9
579.17017	1.0
619.33398	1.9
637.34515	2.5
679.09686	1.2
705.33124	1.9
723.34485	100.0
724.34760	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63929	0.5
51.64175	0.5
57.03324	65.6
59.01245	2.5
64.31110	0.5
69.31328	2.1
69.31754	3.3
71.01262	1.6
81.03370	1.4
85.02820	0.9
93.03354	1.0
95.01275	0.6
96.95904	1.2
99.04397	26.8
100.04761	0.8
101.02316	14.2
108.02057	0.7
109.02824	1.9
113.02348	0.9
123.00777	1.9
123.04401	1.0
125.02334	13.5
137.02333	6.6
141.04192	0.6
149.02371	1.3
151.00272	13.5
151.03867	1.3
152.01015	1.3
152.04677	1.4
153.01839	1.2
161.04480	0.6
165.01816	0.9
166.02632	43.5
167.03204	2.7
175.03865	1.2
177.01848	2.7
178.02695	0.6
181.04994	57.4
182.05299	2.5
184.03627	0.7
189.05501	1.3
190.06367	1.4
191.03470	1.2
191.05537	3.0
193.04959	0.7
195.03036	1.0
205.08585	0.9
279.37738	0.6
359.11237	1.2
371.14954	0.6
387.10672	12.2
388.11276	0.6
400.61151	0.6
402.13132	6.4
403.13699	1.1
417.15540	100.0
418.15887	13.1
561.19574	0.8
723.25092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80568	2.1
59.01252	2.7
63.34828	1.9
63.67213	2.0
67.01746	3.4
69.37666	3.8
69.38007	21.1
71.01218	3.3
74.85717	2.1
85.02834	10.3
87.00755	5.8
93.03345	21.7
111.04414	4.6
121.02817	2.7
123.04433	19.7
133.02805	11.7
149.02438	2.3
173.04443	21.1
177.01860	15.2
191.05544	100.0
192.05907	4.4
195.02898	10.3
266.39771	2.1
269.67731	2.1
318.03867	2.3
351.07132	8.1
353.08762	7.6
369.08310	35.8
614.16840	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80356	1.1
58.69485	1.2
59.01253	1.6
66.30556	1.4
67.01778	2.8
69.40968	1.3
69.62344	9.4
71.01262	2.3
81.03313	1.3
85.02832	4.5
93.03334	17.0
96.95902	3.6
98.20505	2.7
99.04401	2.3
108.02030	1.7
109.02817	1.4
110.01032	1.3
111.04390	4.7
115.77040	1.4
121.02834	1.9
123.04406	23.1
127.03880	1.3
133.02858	9.6
135.04427	9.0
137.02368	3.7
149.02356	2.6
151.03922	10.7
155.03394	2.8
173.04472	100.0
174.04802	4.3
177.01834	17.1
179.03429	10.2
180.03780	1.5
191.05547	51.0
192.05797	2.4
195.02943	20.0
196.03299	1.5
351.07474	1.8
353.08713	13.8
354.09256	1.5
369.08307	14.3
381.39264	1.3
514.85474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02065	13.8
78.95757	37.3
93.34381	13.2
94.94116	13.4
95.49734	13.8
98.20553	44.9
105.12888	15.6
136.78578	13.0
140.02063	15.0
152.99477	50.1
229.55348	17.1
232.83485	14.1
253.21761	33.3
255.23203	100.0
265.59808	18.3
318.68982	15.8
409.92480	13.9
483.27200	75.9
484.27704	30.5
616.15186	20.7
719.48224	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.9
71.01256	5.7
71.58066	1.6
73.02824	1.9
75.00758	1.4
78.95773	1.4
81.03335	3.0
83.04897	2.9
87.00714	1.6
89.02328	4.3
96.95884	3.8
97.02851	5.9
99.00760	2.9
101.02329	4.7
109.06474	34.6
113.02329	4.1
116.92751	2.6
119.03417	1.9
121.06476	2.1
121.15331	1.3
123.04459	1.4
135.08044	2.9
141.57947	1.1
142.02666	1.9
161.09578	2.2
163.11200	16.9
181.12317	3.2
189.09219	2.0
207.10201	100.0
208.10551	4.8
209.11794	1.6
225.11269	35.3
226.11557	1.6
235.08368	1.7
253.09262	14.4
277.21713	77.5
278.22028	6.2
299.14883	1.6
303.24887	1.3
365.25375	1.4
441.33975	1.7
443.19055	4.2
459.39117	1.4
461.20377	13.6
471.23245	1.4
600.04053	1.6
721.41541	29.5
722.41956	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.5
58.02851	1.5
59.01248	15.6
60.77123	0.9
61.98709	3.1
69.03323	6.2
71.01249	11.1
71.04897	3.1
71.58451	1.2
72.99183	1.3
73.02821	2.5
75.00737	1.4
81.03359	2.5
83.01260	2.3
83.04903	7.7
84.02055	2.4
85.02820	3.4
87.00773	2.3
88.98717	1.0
89.02328	4.4
93.03326	2.0
96.95882	8.7
97.02775	1.3
97.06512	2.3
101.02342	6.2
109.02810	1.3
109.06516	1.0
111.00752	2.5
111.01601	0.9
112.57191	1.0
113.02333	4.1
116.49613	1.0
119.03404	1.9
123.04407	1.0
123.08053	3.1
125.02378	1.7
125.09624	3.7
135.04404	2.7
137.02322	2.0
151.11188	3.9
153.12665	2.3
159.03162	4.4
160.03941	11.9
161.04532	4.1
161.09599	4.8
162.05507	1.5
163.11203	5.3
165.12756	3.5
172.05304	1.3
173.04494	1.7
179.10689	6.9
180.10887	1.3
184.05251	10.3
191.05565	7.4
197.11775	91.5
198.12091	4.5
199.07605	14.1
199.13255	2.1
209.11786	60.3
210.12074	3.1
211.29073	1.1
219.05264	2.0
223.09691	1.4
227.12880	5.0
241.10713	5.2
253.09360	4.7
255.23233	1.5
256.13452	1.8
268.13446	2.5
270.14978	1.2
271.02521	1.9
283.52328	1.0
289.18311	1.1
293.21219	2.0
300.02765	3.0
301.03461	2.2
326.65045	1.1
344.14886	1.7
366.01056	1.0
370.38446	1.1
418.60715	1.1
436.24924	4.0
454.26035	10.4
455.26428	1.6
463.08606	4.8
477.19736	3.0
480.23438	1.9
495.28662	3.2
496.28333	1.0
513.29785	2.7
539.28534	1.6
557.29181	1.5
687.32324	100.0
688.32800	15.4
719.34955	18.1
720.35229	2.9
748.50177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30035	12.5
57.65158	12.1
58.88755	11.7
59.01248	100.0
71.01268	32.2
71.56169	21.8
72.87297	11.1
73.02831	21.9
78.95786	21.2
85.02861	15.8
87.00730	15.7
89.02343	27.6
101.02316	22.7
107.76849	13.6
113.02341	15.9
135.04413	29.4
137.65793	10.6
149.02090	16.7
161.04494	20.6
191.05490	48.9
341.10928	29.5
377.08517	34.1
377.14584	19.9
647.58893	13.7
673.39911	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13041	2.6
54.05532	2.7
59.01254	38.8
62.86209	2.8
63.14499	2.7
71.01254	33.4
72.99158	3.0
73.02832	6.8
83.01261	5.3
85.02826	6.6
87.00761	4.4
89.02314	28.9
95.13875	2.7
97.02837	5.4
98.19788	9.3
101.02319	26.5
106.12852	2.7
112.75571	2.8
113.02314	12.8
113.19281	2.7
119.03385	10.6
125.02347	11.0
161.04398	4.7
178.00952	3.5
179.05569	4.0
221.06467	4.0
229.98895	4.3
235.08171	12.0
277.21747	72.6
278.21967	8.1
305.08572	3.9
320.22443	3.6
397.13477	100.0
398.13733	8.5
415.14612	34.8
445.42252	3.0
518.84509	3.1
704.66638	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20253	1.6
57.00989	1.6
57.03313	2.5
57.50043	1.6
59.01252	76.2
61.98701	2.3
71.01251	21.2
71.58767	3.5
72.01563	1.8
72.99184	3.6
73.02812	4.5
76.91940	1.5
78.95770	2.9
85.02822	4.7
87.00771	1.7
89.02316	15.0
90.11605	1.5
93.03329	2.3
95.01264	2.6
96.95901	5.3
99.04389	8.9
101.02322	9.9
108.02051	2.4
109.02831	3.7
113.02329	8.9
119.03407	4.8
121.02860	4.2
125.02306	1.9
135.04396	3.8
137.02368	3.7
139.03935	3.0
151.03940	1.7
152.01099	3.2
161.04501	2.7
162.06958	1.7
165.12790	3.1
179.03427	2.7
189.12752	2.4
191.05522	8.4
191.07040	1.8
202.24756	1.8
207.13847	11.4
209.11778	27.9
225.14938	3.9
229.42598	1.6
251.12903	6.4
269.13931	100.0
270.14490	4.6
289.44360	1.8
291.96124	1.8
349.43542	1.7
381.12592	1.7
431.19232	7.8
432.19717	2.0
449.20209	10.7
450.20963	2.0
464.63586	1.6
473.41196	1.6
537.23444	58.3
538.23621	8.6
664.82928	2.0
716.48145	3.1
717.29572	24.5
717.48096	3.9
718.30487	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37694	0.2
59.01244	1.8
61.90977	0.2
61.98704	100.0
69.03323	0.3
71.01264	1.3
71.58041	0.2
73.02838	0.4
85.02834	0.2
87.00792	0.4
89.02335	1.1
97.02860	0.2
101.02347	0.7
102.02660	0.3
111.99533	0.2
113.02333	0.4
118.99221	0.1
119.03427	0.4
119.05125	0.2
125.02348	0.3
179.05495	0.3
234.41614	0.2
235.08278	0.3
238.95692	0.2
239.50702	0.2
255.23250	1.7
256.23602	1.9
257.23932	0.7
378.06857	0.2
397.13431	0.9
398.13818	1.1
399.14056	1.9
400.14441	1.2
416.14963	0.4
417.15268	0.6
418.15601	0.3
721.71698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12018	1.5
57.26467	1.2
59.01252	100.0
61.98698	1.6
68.86058	1.1
71.15540	2.9
71.15882	1.2
75.42774	1.3
136.09454	1.3
144.90160	1.6
145.71275	1.5
206.88060	1.6
254.69969	1.4
457.18854	1.5
459.16776	2.9
481.11453	2.7
496.13702	11.6
497.14407	10.0
498.15308	2.8
510.15378	4.1
511.15973	7.8
512.16669	2.8
513.17596	5.2
539.19550	2.9
544.08545	1.7
544.15509	7.2
545.16144	1.9
567.18964	10.3
568.19171	3.1
570.17755	2.1
571.18628	11.4
572.19189	3.2
583.18579	2.8
589.19415	1.9
597.19971	2.2
598.20404	3.7
599.21411	30.7
600.21722	8.7
602.16449	3.7
606.85919	1.6
625.18671	1.9
657.21869	18.4
658.22351	4.5
717.24158	62.0
718.24377	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.5
59.01250	7.8
61.98696	0.5
65.03841	1.3
71.01254	5.2
71.58109	0.8
72.99175	1.1
73.02814	1.1
75.38314	0.4
76.91805	0.4
78.95796	0.5
83.01245	0.7
83.04907	0.5
85.02821	1.9
87.00733	0.6
88.98683	0.6
89.02313	5.2
93.03339	65.2
94.03677	1.5
96.95906	2.4
98.12627	0.4
99.04398	1.5
99.69896	0.4
99.98031	0.4
101.02332	3.9
104.95245	0.4
107.05003	0.4
109.02827	1.7
110.02348	0.4
111.00770	1.0
113.02331	2.7
115.38004	0.4
119.03396	2.4
119.04904	0.7
121.02825	0.8
123.04414	0.8
123.08032	0.5
125.02299	0.7
135.04407	2.0
137.02348	100.0
138.02693	2.9
143.03427	0.8
149.04442	0.5
149.05910	0.5
151.03946	0.6
152.01054	0.8
153.01860	1.2
161.02307	0.5
161.04485	1.1
163.03922	0.7
173.04497	1.2
177.01845	0.5
179.03375	0.7
179.05550	2.8
181.04948	0.4
191.05554	4.0
207.13918	0.7
251.12843	2.2
299.13120	0.6
317.13947	1.3
335.15225	0.7
359.94305	0.4
395.17316	1.3
575.23285	3.5
627.36096	0.6
713.37567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06552	0.4
59.01244	1.6
65.99712	3.5
67.87914	0.4
69.24039	4.2
69.24464	0.9
71.01254	1.4
73.02837	0.5
85.02818	5.9
87.00752	1.7
89.02319	0.6
93.03334	2.7
96.95907	0.6
101.02338	0.5
109.02841	0.7
111.04402	0.9
113.02318	0.5
118.02865	0.5
125.02324	0.5
127.03889	1.6
127.63684	0.4
133.02878	1.1
135.04414	2.5
137.02319	0.7
144.04445	0.9
159.03168	0.5
160.03943	8.3
161.02261	2.2
170.13248	0.4
173.04424	1.8
175.02643	2.6
175.03946	0.5
179.03380	1.8
186.01944	0.7
187.02673	22.9
188.03374	2.8
191.05537	100.0
192.05913	3.4
218.04578	0.6
219.01689	14.1
219.05119	3.8
220.02040	0.9
220.06055	0.6
234.00490	0.5
251.04318	4.9
297.08777	5.3
297.12085	1.0
298.09219	0.6
309.08801	22.7
310.09189	1.5
327.09854	56.6
328.10214	4.6
329.11441	2.1
341.11328	7.7
342.11511	0.5
353.08762	15.0
353.13150	0.7
354.08929	0.8
359.12494	24.4
360.12561	1.5
528.81427	0.5
577.17084	0.4
713.22321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91420	0.7
59.01252	20.5
71.01253	5.6
71.05211	0.8
71.05536	1.0
73.02824	1.0
77.49947	0.6
78.95757	0.6
85.02842	1.4
87.00766	1.6
89.02328	2.9
95.04900	3.2
96.96854	0.7
101.02361	2.8
113.02330	1.5
119.03374	1.4
121.02879	1.0
123.04413	100.0
124.04755	3.6
133.07611	0.6
135.04381	0.8
148.54886	0.6
161.04500	4.3
179.05540	2.1
191.05548	2.9
204.03444	0.6
221.06635	12.1
299.01794	1.1
300.02274	1.2
301.02829	0.9
327.10870	2.1
341.10916	6.0
352.10443	0.8
371.09714	6.2
525.02740	0.6
627.92816	0.6
669.15741	2.2
693.80115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	14.7
66.34727	0.4
71.01262	1.9
71.58015	0.6
72.99184	0.5
73.02832	0.6
78.95779	0.6
80.74814	0.5
85.02834	2.0
93.03353	3.0
93.03891	0.6
96.96798	0.5
101.02341	1.7
101.03847	0.6
108.02057	1.3
109.02837	29.3
110.03215	0.5
111.00739	0.5
111.04436	0.7
117.03345	0.6
119.04918	6.1
121.02840	3.9
123.04379	3.4
129.03351	8.6
130.04088	1.7
131.04947	0.8
133.02834	0.8
135.04431	6.8
137.02362	0.6
145.02850	11.0
146.03654	10.3
147.04420	100.0
148.04784	3.1
153.01811	0.6
158.03671	1.3
159.04422	17.7
160.03802	0.6
160.25122	0.5
161.02371	1.8
161.05988	0.7
173.02362	0.5
173.04503	1.7
174.88161	0.5
179.03418	3.1
187.02716	2.7
187.04201	0.4
191.05542	19.6
192.05917	0.6
203.03406	0.7
213.09090	0.5
219.01682	2.1
223.07666	0.9
251.07182	0.8
252.07971	1.1
267.06696	1.4
269.08179	61.9
270.08530	4.3
271.02472	0.7
297.08932	0.5
309.08798	2.8
313.07190	18.9
314.07578	1.6
327.09756	5.1
335.12521	0.8
341.10995	0.9
353.08722	5.0
359.12567	2.0
375.15079	0.5
435.12885	0.8
713.20465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.7
57.03328	7.5
58.00481	2.5
59.01254	100.0
60.01594	1.5
65.03887	0.5
68.99709	0.7
69.03336	2.4
69.38383	1.1
69.38787	4.2
71.01257	60.2
72.01601	0.8
72.99180	4.3
73.02819	10.5
75.00783	1.0
81.03330	0.8
83.01258	9.3
83.01719	0.8
85.02829	26.9
85.99969	1.5
87.00763	4.8
87.04416	0.6
89.02324	28.2
93.03355	0.6
95.01257	6.4
96.95918	0.7
97.02853	1.9
97.23669	0.5
99.00753	4.6
101.02327	34.2
109.02833	1.0
111.00783	2.9
112.01550	1.6
113.02339	29.0
114.02679	0.9
119.03397	10.9
121.02880	0.6
124.01574	1.8
125.02327	5.2
131.03394	0.8
135.04454	0.9
137.02377	1.3
143.03416	4.6
159.02878	1.2
159.04369	0.7
161.04451	4.4
173.04509	0.9
179.05568	2.6
191.05556	2.8
191.77699	0.4
241.21663	2.3
268.38422	0.5
281.24777	0.7
327.29181	0.8
345.30139	6.6
346.30634	0.9
374.47638	0.5
487.29633	0.7
489.34317	11.7
490.34482	1.5
507.35367	14.1
508.35587	2.2
549.36639	0.8
603.37665	0.8
615.37457	1.4
616.38068	0.6
651.39600	94.2
652.39905	16.8
667.73291	0.6
669.40698	64.1
670.40991	11.7
711.41730	13.7
712.42017	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.9
57.03318	4.5
58.00475	1.7
59.01252	85.9
60.01599	0.8
60.99150	0.7
67.01743	0.7
68.58176	0.8
69.03333	1.8
69.86706	1.3
69.87135	2.7
71.01255	48.3
72.99183	2.8
73.02819	13.6
75.00750	1.4
83.01262	8.9
85.02823	26.0
85.99983	1.1
87.00754	5.1
88.98693	2.8
89.02316	17.4
89.02825	1.2
93.03339	12.5
94.03696	0.7
95.01262	7.2
96.95930	1.3
97.02820	3.3
98.19884	1.1
99.00759	4.9
101.02320	29.0
102.02657	0.8
108.46085	0.8
109.02843	1.6
111.00785	3.4
112.01572	0.6
113.02329	22.6
115.37359	0.7
119.03395	5.2
122.98215	0.6
124.01546	2.3
125.02345	7.5
127.09289	0.6
129.01862	1.4
131.03465	1.0
133.02843	0.7
135.04425	2.3
137.02339	31.1
138.02673	1.1
141.01884	0.8
143.03424	3.7
159.02898	2.0
159.04311	0.7
161.04453	4.5
162.03394	0.7
173.04491	1.1
177.01828	4.3
179.05557	1.3
191.05550	3.9
192.86461	0.6
259.32568	0.7
299.25839	1.5
345.30042	4.2
489.34436	8.7
507.35428	12.2
508.35657	1.7
537.58350	0.7
573.22198	0.9
603.37903	0.8
615.37012	1.0
651.39594	100.0
652.39941	15.7
669.40692	62.5
670.41113	9.4
711.30719	0.8
711.41901	11.2
712.42072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05870	0.6
54.17876	0.6
55.01755	3.6
57.03323	6.7
57.21714	0.7
58.00465	3.0
59.01251	97.4
60.01579	1.2
64.66998	0.6
69.03337	1.9
69.81398	3.4
71.01253	56.4
72.01604	1.1
72.99177	4.7
73.02820	11.0
73.57388	0.7
74.40337	0.7
75.00742	0.8
81.03313	0.7
83.01248	9.0
84.02063	0.8
85.02824	26.5
85.99956	1.4
87.00748	5.1
89.02319	30.9
93.03362	1.0
95.01253	6.8
96.95903	1.2
97.02839	2.7
99.00752	5.0
101.02324	33.9
109.02858	1.2
111.00778	2.7
112.01535	1.5
113.02332	31.4
119.03387	10.6
119.04884	0.5
123.04435	0.8
124.01549	1.8
125.02342	4.8
129.01820	0.7
131.03389	0.8
131.04881	0.7
135.04410	1.9
136.30299	0.6
137.02316	1.7
143.03391	4.9
146.24074	0.7
149.04460	1.1
151.03928	0.9
159.02951	1.1
159.06560	0.6
161.04454	5.6
162.04904	0.8
173.04456	1.2
179.05528	2.6
191.05539	4.4
241.21698	2.3
289.33688	0.7
292.40909	0.7
327.21927	0.7
327.28970	1.1
345.29974	4.7
489.34283	12.7
490.34641	2.0
507.35464	15.1
508.35446	1.1
587.38226	0.9
603.37024	0.8
615.37299	1.1
651.39606	100.0
652.39978	18.5
652.48468	0.4
669.40680	66.5
670.40869	11.1
711.41907	14.2
712.42267	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81652	4.1
59.01260	23.9
71.01243	20.7
74.18523	4.6
89.02328	19.1
98.19738	10.3
101.02326	13.7
113.02333	5.8
113.77185	4.3
133.58389	4.8
164.87575	4.5
186.94386	5.7
196.54916	4.6
225.20642	4.8
235.08185	11.1
277.21732	57.5
366.11609	4.6
397.13544	100.0
398.13864	9.3
415.14450	35.6
545.15387	4.8
548.50226	4.7
711.33685	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
58.00467	1.5
59.01253	38.1
60.50922	1.0
61.98708	4.1
69.03337	1.6
71.01249	30.0
72.99191	3.0
73.02822	4.3
74.36209	0.9
75.00771	1.4
78.95762	1.4
80.83140	1.0
81.03359	1.1
82.86595	1.0
83.01276	4.4
85.02825	5.6
87.00741	6.0
89.02315	28.5
95.01279	1.8
97.02842	5.4
98.20553	2.6
99.00792	1.2
101.02322	23.6
111.04404	1.1
112.58518	1.2
113.02341	11.4
118.73169	1.0
119.03400	8.6
125.02332	6.2
135.04385	1.2
139.03983	1.1
143.03424	4.5
161.04521	5.3
179.05562	5.3
235.06224	1.5
235.08162	8.5
237.50916	1.0
253.09244	2.5
253.21713	21.1
254.22031	1.2
305.08743	1.6
397.13498	46.8
398.13956	2.8
415.14569	100.0
416.14984	6.6
428.61374	1.2
469.20715	1.1
541.98047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01603	1.4
65.12411	0.9
71.01259	4.1
73.02836	1.1
83.01275	1.0
85.02841	2.5
85.46379	0.8
89.02319	1.6
93.03339	0.7
94.89107	0.7
96.95839	1.0
99.33411	0.7
101.02324	3.2
109.02844	0.9
113.02294	1.8
129.05293	0.7
135.04410	0.9
136.01573	1.4
151.00270	1.6
151.03909	1.9
161.04495	1.3
177.33543	0.8
178.99763	0.8
181.04958	1.6
184.60081	0.7
191.05534	4.7
228.57774	0.8
255.02956	1.1
269.10254	5.4
271.02448	3.4
291.31772	0.7
299.01904	2.1
300.02826	6.1
301.03519	5.0
311.11404	3.5
347.67667	0.7
387.14441	5.1
463.08945	1.2
505.09689	4.9
625.12488	0.9
667.15424	2.9
668.15479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	21.6
60.94874	3.9
69.56150	12.2
69.56570	20.7
101.75060	4.0
103.59727	4.4
105.03416	4.4
133.02861	10.0
137.02377	6.2
157.84851	4.5
158.70337	4.9
161.04434	6.4
177.01871	100.0
191.05530	13.9
198.59521	3.9
221.06601	16.3
246.31017	4.0
299.01978	8.7
301.03589	8.6
339.07071	6.9
371.09680	4.6
462.07870	5.6
476.19882	4.4
479.39600	4.8
505.09485	6.6
667.14667	8.8
701.72571	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01255	12.6
61.98697	2.8
65.00203	1.7
65.03834	7.1
67.01763	4.6
70.90940	1.6
71.01257	4.0
71.57829	2.4
71.58180	1.7
77.40232	1.2
85.02827	2.7
89.02283	1.3
91.01788	3.9
91.05408	3.4
93.03345	8.1
96.95908	2.9
105.00643	1.3
108.02078	1.4
109.02840	36.0
113.02382	2.0
121.02850	3.0
123.04448	2.4
131.04900	1.6
133.02864	12.3
133.06523	1.4
135.00797	5.3
135.04427	17.1
137.02345	100.0
138.02698	4.1
145.02856	3.2
149.02333	2.3
149.05997	1.9
151.00261	1.6
153.01828	5.8
157.06456	2.3
158.03775	1.6
159.04462	8.9
161.02368	2.6
161.06007	3.6
163.00320	4.3
167.04935	1.5
173.04625	1.7
173.06021	5.8
175.03917	11.3
175.07570	5.6
177.05499	2.0
185.06035	3.1
186.06248	1.6
187.03899	9.5
187.07620	1.6
191.03900	1.8
191.05551	8.1
191.07059	2.5
197.06018	2.1
201.05527	3.9
201.09138	1.8
211.03964	6.0
211.07610	1.3
215.07027	2.8
225.05438	3.0
227.03445	2.0
227.07144	3.3
229.04999	9.1
230.05420	1.7
232.95029	1.7
233.08165	2.0
237.05502	2.9
239.07126	1.6
241.05019	2.0
245.04480	1.8
251.07108	4.1
253.05156	3.5
255.03017	2.1
255.06560	2.0
259.09784	1.9
267.06735	1.7
273.04037	14.6
293.08252	2.6
317.08273	2.6
341.08347	1.5
347.09317	2.8
355.04294	1.6
391.08194	3.3
427.11685	1.6
475.14124	4.6
501.11865	5.6
533.14838	3.2
537.15442	2.4
549.24921	4.9
563.21820	1.6
565.15051	4.1
573.17584	5.1
583.16278	4.6
617.14508	5.5
635.15808	5.9
657.17761	5.0
675.18890	14.0
676.18756	3.3
693.19708	19.0
694.20074	2.9
711.20685	23.1
711.31366	2.1
712.21484	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55228	0.6
65.00198	0.8
71.34230	1.6
72.68764	0.8
73.90994	0.8
90.45238	0.7
95.27010	0.6
107.01309	0.9
133.02910	0.8
143.04877	0.7
151.00279	3.3
154.52162	0.7
171.04419	1.2
175.03937	0.8
195.03725	0.7
199.03911	2.2
215.03539	1.2
226.02654	1.0
227.03392	2.1
243.02908	4.0
255.02911	1.6
271.02472	44.6
272.02844	3.5
299.01978	34.0
300.02579	6.6
301.03513	15.9
302.03796	0.8
462.08041	22.3
463.08765	18.9
464.09180	1.9
505.09943	20.2
506.10309	2.9
547.11194	1.7
625.14233	3.2
667.15149	100.0
668.15527	21.1
668.26862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63663	2.0
59.01250	9.3
69.89562	14.7
71.01263	3.1
85.02847	4.2
88.32764	2.2
90.64314	2.6
98.20567	2.3
101.02374	3.2
133.02853	3.7
133.05733	2.1
139.00217	3.6
141.10617	2.3
151.00288	8.7
164.00958	2.5
165.98999	3.6
166.99644	2.4
171.04446	3.7
173.04507	2.3
174.26488	2.2
178.99782	3.0
183.04504	2.9
187.03848	3.6
189.78157	2.4
191.05571	13.9
199.04037	2.8
215.03465	7.5
227.03491	9.3
229.04715	2.3
243.02953	10.9
247.49843	2.5
254.02110	3.7
255.02937	18.8
261.25845	2.4
271.02469	76.2
272.03088	8.2
283.02707	4.0
285.04089	2.6
299.01971	100.0
300.02634	31.5
301.03540	62.6
302.03973	3.1
462.07947	18.1
463.09024	14.9
504.09055	2.6
505.09927	71.2
506.10217	7.3
667.15271	69.2
667.26947	3.3
668.15607	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.8
64.67790	0.8
71.01239	5.4
71.49895	1.9
73.02814	1.2
73.87745	0.9
78.95773	1.6
85.02793	1.1
89.02317	5.1
97.06466	3.7
101.02340	3.1
113.02341	1.4
131.00583	0.9
145.83742	0.9
151.11192	14.9
152.11528	1.3
152.99454	1.2
161.04453	1.7
169.12256	100.0
170.12582	5.1
185.68269	0.9
195.10178	2.6
213.11270	13.1
235.08232	1.6
253.09221	3.2
255.23398	1.5
277.21710	25.5
278.22070	2.2
279.23129	1.5
322.89810	0.9
351.94623	0.9
367.90445	1.0
431.19345	5.0
442.34421	1.2
449.20303	11.1
450.20761	1.6
709.41632	75.9
710.41992	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01585	2.7
63.83558	1.2
67.01787	1.1
68.11521	1.0
69.57612	7.7
71.01263	9.7
73.02831	4.6
83.01267	1.8
85.02814	6.7
86.91708	1.3
87.00765	2.2
89.02321	2.8
93.03365	2.8
95.01253	1.0
96.95888	5.5
98.95452	1.1
99.00774	2.2
101.02324	11.2
102.78915	0.9
109.02864	1.2
113.02309	4.6
116.63600	1.0
122.90770	1.1
133.02907	1.4
135.04416	1.7
140.07124	2.1
161.02425	1.1
161.04436	4.7
161.05734	1.4
173.04457	3.6
179.03427	1.7
191.05553	13.6
198.38060	1.0
219.00595	1.1
235.11823	19.7
236.11972	1.7
250.56796	1.1
255.06604	1.3
267.06577	3.7
277.12949	9.1
323.12231	1.3
325.10883	1.6
355.68930	1.0
378.85193	1.2
414.13629	1.1
447.94162	1.2
487.15723	1.3
501.76212	1.2
526.23053	1.2
528.19763	4.0
580.60492	1.1
602.62299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68780	2.5
54.94056	3.2
55.90046	3.0
58.75400	3.0
59.01238	8.4
66.35484	3.2
71.01259	3.5
71.63660	3.4
74.46919	3.1
85.02846	3.3
85.55207	2.7
89.02297	3.1
98.19676	6.0
105.91953	2.7
110.06070	4.5
120.04419	2.7
122.05984	18.3
124.07610	5.6
134.05962	4.5
150.05519	5.2
153.01649	3.2
173.04572	3.0
183.76196	3.1
191.05582	9.9
213.10265	7.4
214.11058	4.6
215.11839	5.3
225.10301	6.5
226.10770	3.9
227.08231	6.7
227.11871	9.2
239.08157	3.7
239.11743	3.7
254.10451	3.9
255.07687	6.6
255.11447	6.3
267.11328	5.6
269.09241	5.3
283.02499	9.4
283.10928	7.7
284.07968	4.3
285.12540	5.4
293.09302	7.8
295.10782	3.3
297.08810	5.3
298.09521	4.5
311.10321	5.5
327.09912	7.9
335.12491	5.1
338.18665	9.0
345.10861	4.3
350.14990	4.1
352.86652	3.6
362.15204	7.7
366.14432	7.2
368.19681	4.6
376.16849	5.2
380.15991	4.4
386.11353	15.3
387.11816	7.0
388.12802	10.8
412.18701	9.6
438.16782	9.8
439.16925	3.9
454.16220	9.1
468.17618	5.3
482.16058	4.2
495.17090	3.8
496.17700	7.0
507.31409	3.2
512.16779	13.0
526.18073	8.7
527.19147	85.5
528.19464	25.3
529.22986	3.7
563.00519	4.2
565.13177	3.6
649.24921	20.9
665.12030	7.8
673.25092	8.0
691.26074	100.0
692.26581	23.2
709.27289	67.6
710.27509	11.6
725.15009	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.6
57.81063	2.6
58.21368	2.0
59.00986	2.6
59.01255	30.3
67.01749	2.7
69.62025	16.9
71.01253	12.8
72.99104	2.1
73.02811	5.5
75.00711	2.1
78.95782	2.2
82.02845	5.1
83.01235	3.0
85.02827	11.6
87.00731	9.5
89.02289	8.9
93.03334	25.9
96.95876	5.1
99.04399	3.3
101.02290	9.3
108.02000	7.1
108.04418	2.9
109.02834	12.2
111.04368	6.2
113.02308	5.1
119.04919	7.0
122.05996	8.6
123.00805	2.3
124.03894	5.0
125.02318	4.1
126.05514	13.6
133.02805	4.4
135.04428	15.1
137.02386	10.9
138.02809	2.5
138.05556	3.2
146.06024	4.1
147.04373	5.8
150.05490	3.0
156.05594	2.3
156.06593	23.6
159.04410	8.2
160.03790	2.7
161.02306	5.4
162.05507	4.3
163.03914	3.8
171.05540	3.1
173.04475	19.9
176.03442	2.7
176.07062	7.4
177.01826	4.7
179.03378	8.2
190.08801	3.2
191.05537	29.0
201.12738	4.2
202.13103	4.2
204.06512	6.8
215.08125	3.3
218.08136	3.5
222.59294	2.3
227.08372	3.3
239.05545	3.9
245.11673	3.3
246.12225	3.1
253.13515	4.4
254.06985	3.7
255.07721	3.5
255.11293	3.3
259.07126	3.8
265.13394	3.5
267.11191	3.7
269.08588	3.5
273.08688	6.6
280.08521	2.7
281.09204	6.7
283.10770	7.6
285.08807	4.8
295.10736	9.8
296.11478	3.4
297.12335	10.3
309.12399	3.1
322.15674	4.8
334.15573	3.4
339.13098	3.8
346.11920	3.0
350.11478	3.6
351.13376	2.6
366.14569	50.5
367.15042	4.0
378.14584	28.6
379.14780	4.5
383.07596	5.0
396.15433	6.9
410.13388	6.2
422.13437	5.4
440.14572	9.0
442.15887	4.3
454.16003	7.4
472.17270	13.5
527.48877	2.4
528.19714	8.1
529.26489	2.6
535.31018	7.7
547.20471	4.7
573.23456	3.3
585.21979	2.8
615.25079	6.1
633.25488	8.8
641.21985	2.9
649.24554	5.5
659.23468	10.9
660.24231	4.8
661.25098	4.5
677.24487	36.0
678.25043	8.0
679.26294	8.8
691.25800	18.6
692.25488	4.5
709.26941	100.0
710.27197	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.8
65.91953	1.2
69.34672	1.4
69.65446	7.8
71.01249	3.1
73.68935	1.3
82.02857	1.7
85.02828	3.2
87.00758	6.4
89.02312	1.5
93.03333	4.2
96.95883	4.0
101.02327	2.3
108.01161	1.4
109.02796	2.5
122.06016	7.1
123.04420	3.2
124.03895	2.0
126.05527	2.3
135.04402	4.3
137.02345	1.6
146.06084	1.6
148.07506	1.6
150.05537	2.1
151.03873	1.7
156.06514	2.9
161.04588	2.0
162.05467	1.9
172.03946	3.0
173.02298	1.7
173.04552	4.4
174.05489	1.8
176.07030	3.2
177.01801	1.8
179.03406	2.2
188.06947	1.4
190.08554	1.6
191.05516	9.7
204.06673	3.2
215.08124	4.2
217.01398	4.1
218.08112	1.5
227.08099	2.3
235.10701	1.5
237.09991	1.4
239.08191	1.3
243.07669	2.8
251.11897	1.5
253.13411	4.2
255.11476	1.9
259.07162	3.4
271.11023	1.5
273.08844	3.8
280.08279	2.3
281.09283	1.7
283.10629	2.3
285.08774	2.0
295.10776	3.9
296.11591	2.2
297.12360	4.9
308.10556	1.9
322.15469	2.9
323.13409	1.5
324.13583	1.6
334.15469	2.7
335.12399	1.4
339.13309	2.4
346.11633	1.7
350.11374	1.9
360.13452	1.7
366.14563	34.3
367.14731	3.5
369.06082	3.2
374.11365	3.3
378.14587	16.2
379.15054	1.6
398.16806	2.3
410.13605	5.9
422.13409	1.9
440.14658	1.5
442.16132	3.8
454.16187	4.5
472.17133	13.7
528.19885	3.2
531.11523	7.2
535.31384	2.4
661.24341	3.3
673.24780	2.1
677.25018	2.0
679.26520	9.9
691.26300	15.9
692.25806	2.7
709.27234	100.0
710.27740	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72285	0.7
56.70946	0.5
56.92255	0.7
57.07500	0.6
59.01033	0.7
59.01259	6.8
65.03825	1.4
67.01768	0.8
69.53316	1.9
69.53731	3.8
71.01247	2.8
71.56184	0.6
71.97995	0.6
79.78117	0.6
85.02834	1.1
87.00779	0.8
89.02294	1.4
91.05413	10.2
93.03343	4.5
96.95871	1.4
101.02319	1.5
107.04916	2.9
108.02053	3.1
109.02833	13.6
109.06455	0.7
113.02370	0.9
118.45129	0.7
119.04910	0.9
121.02847	38.5
122.03648	1.1
133.02884	1.1
134.03629	9.3
135.04417	97.2
136.04759	2.9
137.02345	1.0
142.28841	0.7
147.04434	17.7
148.05231	5.6
152.01056	3.6
152.95596	0.6
153.01837	3.0
159.04420	1.2
166.02657	1.0
167.07185	0.7
173.04489	2.3
173.05920	1.1
177.01807	0.9
177.09132	16.6
189.09146	42.6
190.09450	2.3
191.05554	6.2
203.10715	84.7
204.11034	5.0
215.10765	8.4
302.30905	0.8
315.07208	0.9
325.14462	72.0
326.14780	7.3
395.06342	0.7
487.19754	100.0
488.20084	14.2
491.28494	1.7
536.20685	1.4
559.68408	0.8
677.24957	0.8
709.27716	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
57.03319	4.1
59.01254	18.9
61.98693	2.0
69.03321	2.5
69.48792	2.1
69.49222	3.2
71.01254	18.7
71.04888	8.8
72.99169	1.6
73.02820	6.7
81.03316	2.3
83.01241	2.3
83.04893	1.6
84.71289	0.6
84.75776	0.6
85.02817	7.8
87.00748	6.9
87.04385	0.7
89.02319	8.1
93.03337	6.6
95.01260	1.5
96.95884	10.4
97.02814	2.4
97.06455	3.2
98.20552	1.2
99.00752	1.9
99.04390	1.0
101.02330	14.5
107.04842	0.7
108.02024	0.9
109.02837	3.6
111.04417	0.9
113.02335	4.6
119.03387	2.5
119.04903	6.4
120.05235	1.9
121.02812	0.8
121.06441	0.8
121.10147	1.4
125.02336	3.4
125.09614	1.5
127.11205	0.9
128.22453	0.7
131.03339	0.8
135.04420	7.3
137.02351	5.4
137.07948	0.8
137.09625	11.9
143.03389	2.0
147.04425	0.6
152.00995	0.6
161.02403	1.5
161.04442	1.4
161.09636	1.1
163.03815	0.9
171.10190	25.7
172.10457	1.9
173.04465	6.1
175.03712	1.1
177.01859	1.6
179.03378	2.1
179.10704	1.7
181.04988	0.8
181.12283	1.0
185.11745	2.5
186.10446	1.1
191.05540	17.1
192.05833	0.8
197.06140	0.8
201.12813	0.8
207.13840	0.9
209.15250	0.7
211.13310	1.1
219.13850	1.2
235.17039	1.7
237.14890	0.7
245.11716	1.0
251.16522	1.1
275.20197	1.9
284.08755	0.9
291.19644	18.3
292.20029	2.0
293.21387	1.1
309.20676	7.5
315.12466	1.5
315.19659	2.5
321.11139	1.9
322.11600	1.5
323.12018	0.8
333.20465	1.8
351.21719	1.4
397.13852	0.9
446.18179	0.6
497.22076	1.3
543.18683	0.8
545.19147	2.7
647.36963	1.0
665.37018	1.4
689.34052	1.8
707.35046	100.0
708.24023	1.4
708.35455	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.9
57.03323	2.2
58.00461	1.4
59.01251	26.2
60.01609	0.6
61.98692	1.0
69.03328	1.3
69.29220	1.9
69.29639	4.3
71.00847	0.8
71.01250	17.3
71.04891	0.7
72.99195	1.7
73.02814	3.9
75.00729	0.8
78.88159	0.6
81.03338	1.0
83.01253	2.5
83.01699	0.7
83.04887	1.9
85.02821	5.5
85.06468	1.6
87.00761	3.9
89.02316	15.2
93.03327	2.3
95.01255	1.5
96.95886	1.9
97.02811	3.6
97.06453	1.0
99.00726	1.5
101.02325	10.8
109.02821	1.0
109.06461	1.4
111.00708	0.5
111.04388	1.2
111.08059	6.2
113.02329	7.1
116.92700	1.1
119.03381	4.4
123.00769	0.6
124.13081	0.5
125.02309	3.6
131.03369	1.2
135.04434	3.9
137.02289	0.9
143.03371	2.1
147.04401	0.7
149.05905	0.8
153.05511	1.0
153.64719	0.6
161.02386	0.8
161.04475	2.5
161.05995	5.8
165.05461	1.7
169.12257	1.1
171.10182	1.4
173.04446	1.7
177.01834	0.9
179.05533	4.7
179.07072	3.3
179.10828	0.9
181.12195	1.2
183.13840	0.7
191.05551	7.6
195.13799	4.5
197.11765	18.5
198.12152	1.3
199.13406	1.4
211.13335	4.2
217.12344	1.5
221.06618	1.0
221.15489	3.3
223.13300	1.5
227.13010	0.8
235.08177	2.7
239.16714	0.7
243.50642	0.7
251.16452	1.5
253.09254	1.6
258.46506	0.6
263.20139	1.7
273.18674	0.9
280.70026	0.6
287.07849	0.7
291.19656	18.0
292.19962	0.9
309.20706	100.0
310.21045	8.3
383.18600	5.1
397.13501	13.1
398.13971	0.9
415.14563	27.2
416.14783	2.0
461.77948	0.6
483.20126	1.1
545.24005	3.0
647.35956	1.2
663.31976	0.7
669.40308	1.2
707.34814	6.7
708.35590	1.4
715.63379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39469	0.2
55.01756	0.7
57.03325	0.6
58.00467	0.3
59.01250	100.0
60.01582	1.0
69.71265	1.5
71.01251	8.4
72.99196	0.5
73.02818	3.6
82.02264	0.2
82.37809	0.2
83.01264	2.0
85.02824	5.2
87.00757	0.8
89.02323	1.5
93.03358	0.3
95.01282	0.9
95.89854	0.3
96.95881	1.7
97.02863	0.5
98.19844	0.2
99.00751	1.3
99.04391	0.2
101.02320	9.5
109.02818	0.3
111.00756	0.3
113.02322	4.4
119.03439	0.3
125.02357	0.3
129.01784	0.4
135.04460	0.2
138.06772	0.7
143.03368	0.4
151.07596	0.7
152.08357	0.9
153.09113	2.8
155.87704	0.2
159.02928	0.8
161.02429	0.3
161.04462	4.2
173.04462	0.3
179.05547	0.3
191.05559	1.7
205.12242	1.2
223.13422	1.2
235.11823	19.7
236.12242	0.9
266.68820	0.2
277.12930	7.8
278.13251	0.4
314.04172	0.2
321.12033	0.4
353.09213	0.3
385.18713	2.2
386.19214	0.2
515.11139	0.3
631.33588	0.2
677.62201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17764	0.5
55.01762	1.2
57.03314	1.4
58.00472	1.4
59.01251	25.7
62.25725	0.6
67.01736	0.6
69.03318	2.5
69.31363	4.7
69.31786	1.4
71.00870	0.8
71.01254	17.7
72.99191	1.6
73.02818	3.4
81.03302	0.6
83.01266	1.8
83.04874	0.7
85.02831	4.9
87.00740	3.9
89.02322	16.9
93.03336	1.0
93.37212	0.5
95.01260	1.3
97.02843	4.2
99.00772	1.4
101.01692	1.2
101.02325	12.5
101.02916	0.6
111.08041	8.3
112.38278	0.6
113.02342	6.7
116.31471	0.6
119.03382	4.2
125.02351	3.1
127.03822	0.6
135.04451	0.7
137.09633	1.1
143.03406	2.3
151.11232	1.0
153.12810	0.8
161.04482	2.5
163.11107	0.6
165.12778	1.4
169.12248	4.0
171.10213	2.9
173.04489	0.8
177.01768	1.0
179.05548	4.2
181.12297	1.4
183.13823	1.0
185.11737	0.7
191.05534	1.6
193.12352	0.7
197.11781	39.1
198.12119	1.9
199.13338	1.6
209.11882	1.2
209.15408	1.1
211.13387	5.2
221.06653	0.8
223.16862	1.0
227.12770	2.0
235.08208	4.4
247.20609	0.8
251.16470	1.7
253.09325	1.2
263.07648	1.0
263.20157	2.8
273.18399	1.1
287.07993	0.8
291.19681	19.5
292.19943	1.4
309.20712	100.0
310.21014	9.1
323.09818	0.9
323.68045	0.6
397.13531	20.6
398.13727	1.8
415.14563	32.2
416.14890	1.3
582.50635	0.6
707.35199	6.3
708.35651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26869	2.4
50.87344	2.2
59.01253	27.1
60.99194	5.1
61.98698	9.1
72.58832	2.2
78.95777	6.8
79.11903	2.3
84.98217	2.3
85.16020	2.3
88.91367	2.1
88.98675	33.3
89.02370	2.3
95.78376	2.2
98.20715	3.3
171.04425	2.9
178.99986	2.9
191.05489	3.2
211.03938	3.4
211.13373	2.8
227.03447	79.4
228.03810	6.4
255.02975	100.0
256.03564	12.1
277.21716	10.6
278.22043	2.8
284.03256	50.7
285.04013	30.1
332.75858	2.8
358.73105	2.4
707.30591	72.8
708.30981	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78398	1.6
59.01251	14.2
71.01259	2.8
71.38204	2.9
71.38552	1.7
80.04929	10.2
82.02849	2.2
85.02845	3.5
85.60410	2.0
89.02338	2.4
93.03348	2.6
94.02863	22.4
94.06526	3.3
96.95860	3.3
101.02316	3.1
104.04931	3.3
106.06535	4.2
107.03667	4.7
108.04424	4.9
109.02853	3.1
122.06002	48.7
123.04436	1.9
124.03927	3.9
126.18069	1.6
132.04474	3.0
133.42297	1.9
134.06012	11.6
135.04390	4.3
136.03926	4.1
137.02383	2.5
138.05536	10.1
139.02673	4.1
146.06009	2.5
147.05516	2.6
148.03937	3.8
150.05542	10.3
152.07082	83.4
153.07394	2.3
160.03937	2.7
162.05536	3.1
173.04456	2.3
174.05544	2.6
174.71161	1.7
188.07115	2.3
190.05069	2.3
191.05563	10.1
197.98930	1.9
200.99557	1.9
201.10251	10.2
211.08690	2.7
213.10213	5.8
223.08650	2.2
224.09392	2.9
225.10196	4.2
227.11783	5.7
229.09819	11.0
229.13377	3.0
230.10136	2.5
237.10251	3.8
239.11827	7.7
245.12918	9.6
250.07449	3.6
251.08195	3.1
253.09756	7.0
255.11328	6.2
257.12857	5.5
262.11365	1.8
263.08148	4.0
265.09793	9.2
266.10419	4.0
267.11389	5.6
273.12439	5.7
277.09741	3.0
278.06946	6.0
278.10400	4.2
279.07809	4.8
279.11264	4.2
280.08047	2.2
281.08875	2.3
289.12076	2.6
291.08008	1.9
293.09366	22.1
294.09879	6.7
295.10913	8.7
296.72385	1.8
301.11935	17.0
307.10840	3.4
309.12390	4.3
313.11908	5.1
319.12970	49.1
323.10321	7.1
325.11993	2.1
327.13492	3.9
337.08344	13.2
338.09027	2.9
339.09778	3.1
344.14069	2.2
355.13062	3.5
359.12759	2.7
362.15460	2.1
372.17667	2.3
374.15298	9.2
375.15457	2.1
386.14972	2.5
391.15158	3.8
392.16217	5.5
414.61545	2.1
416.16159	7.5
419.14581	2.1
430.13779	1.8
432.19412	3.3
434.17130	6.5
459.17804	5.1
460.18781	2.1
474.20261	6.2
476.18124	3.1
492.21365	6.0
503.17117	5.2
504.17731	12.0
518.19391	24.3
519.20227	4.5
535.19647	2.4
539.22882	6.6
550.21936	32.9
551.21924	5.4
557.24066	8.1
581.24213	6.1
583.22241	3.8
599.25104	46.9
600.25385	10.4
615.24377	5.4
625.23389	3.6
631.27612	4.1
643.24048	52.6
644.24316	7.2
657.25671	4.9
675.26630	100.0
676.27063	18.8
707.29364	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99680	0.7
55.94142	0.6
57.03336	0.7
59.01250	3.1
60.99158	0.6
64.81039	0.6
67.01761	1.6
71.01248	2.6
74.40457	0.6
77.46166	0.8
78.95765	2.4
81.03330	0.9
83.04932	0.8
85.02819	10.1
87.00744	3.3
93.03329	11.2
96.96829	1.8
101.02320	0.8
108.02039	1.2
109.02828	3.5
111.04424	3.3
115.00304	1.1
121.02850	1.0
127.03902	1.8
129.01790	1.2
130.96788	0.6
133.02853	1.7
134.03615	1.0
135.04408	17.3
149.05937	1.8
155.03403	1.3
160.03841	0.8
161.02359	4.6
161.06042	1.5
173.04462	15.2
179.03413	13.1
185.63821	0.7
191.05536	100.0
192.05861	3.8
241.04938	1.0
242.05760	3.3
243.06638	1.9
263.97891	0.7
269.07797	0.9
271.09790	2.4
283.02164	1.1
297.07565	1.6
323.05505	1.5
339.05173	1.6
340.05264	0.8
341.05945	2.3
353.08768	17.8
354.08994	1.2
359.07895	3.1
372.75723	0.8
462.93481	0.9
463.11014	1.0
489.13931	0.9
514.10944	1.1
515.11346	3.5
533.12915	6.9
534.14050	1.1
635.19861	0.7
663.21106	0.9
707.18152	20.2
708.18652	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.7
62.73753	0.1
64.15778	0.1
71.01250	0.6
71.43093	0.2
71.58548	0.3
72.99204	0.2
74.02363	0.5
79.95611	3.0
85.02814	0.3
87.00719	0.2
93.03333	0.5
96.95893	100.0
97.21443	0.2
97.95824	0.5
101.02365	0.2
109.02829	0.3
125.77808	0.2
133.02826	0.1
135.04422	0.6
137.02354	0.3
151.00227	0.2
161.02428	0.3
173.04486	0.6
177.01900	0.7
178.99782	0.2
179.03400	0.2
191.05571	1.5
192.05984	0.2
203.08238	0.2
209.06805	0.2
219.02922	0.2
245.09372	0.7
255.02974	0.4
271.02426	0.9
272.83710	0.1
300.02768	1.3
301.03540	0.5
609.14484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18991	0.2
59.01248	0.6
67.01771	0.3
69.03333	0.2
71.01244	0.5
71.34526	0.4
73.02805	0.2
74.62634	0.2
85.02828	5.0
87.00748	0.9
92.53355	0.2
93.03337	1.9
94.00771	0.2
99.04391	0.2
104.21812	0.1
109.02799	0.5
111.04391	0.7
127.03909	1.2
133.02856	0.6
135.04399	1.3
138.90750	0.2
161.02312	1.6
163.22989	0.1
171.02922	0.4
173.04468	1.6
179.02211	0.2
179.03433	1.6
180.50183	0.1
191.05547	100.0
192.05884	3.7
204.18089	0.2
235.01970	0.2
250.19212	0.2
272.15897	0.2
305.16388	0.2
347.80145	0.2
353.08786	8.8
354.09125	0.8
419.38953	0.2
577.85059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72941	0.3
57.03317	1.2
59.01257	2.6
60.20064	0.3
60.99182	0.5
66.60374	0.3
67.01763	5.0
69.03326	1.2
69.49111	2.6
69.49523	0.6
71.01257	3.7
81.03329	1.1
83.04897	1.3
85.02830	7.9
87.00748	1.9
90.57062	0.3
93.03339	29.2
94.03688	0.6
95.01249	0.4
99.04431	0.6
107.04920	1.8
109.02827	2.3
111.00793	0.9
111.04411	6.1
113.02332	0.6
114.21275	0.4
121.02919	0.4
127.03902	1.7
133.02879	1.9
134.03639	4.1
135.04420	72.9
136.04764	2.8
137.02354	4.7
149.02328	0.6
155.03415	4.3
161.02350	3.8
171.02855	0.4
173.04485	100.0
174.04811	3.9
177.01831	0.7
179.03435	58.6
180.03781	2.6
191.05562	45.3
192.05927	1.4
351.07071	0.4
353.08780	88.2
354.09137	7.0
534.81427	0.4
690.64380	0.4
729.28687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.7
62.73753	0.1
64.15778	0.1
71.01250	0.6
71.43093	0.2
71.58548	0.3
72.99204	0.2
74.02363	0.5
79.95611	3.0
85.02814	0.3
87.00719	0.2
93.03333	0.5
96.95893	100.0
97.21443	0.2
97.95824	0.5
101.02365	0.2
109.02829	0.3
125.77808	0.2
133.02826	0.1
135.04422	0.6
137.02354	0.3
151.00227	0.2
161.02428	0.3
173.04486	0.6
177.01900	0.7
178.99782	0.2
179.03400	0.2
191.05571	1.5
192.05984	0.2
203.08238	0.2
209.06805	0.2
219.02922	0.2
245.09372	0.7
255.02974	0.4
271.02426	0.9
272.83710	0.1
300.02768	1.3
301.03540	0.5
609.14484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27819	0.9
58.00465	1.1
59.01251	32.4
65.79998	0.9
67.01768	1.3
69.03329	1.2
71.01248	22.9
71.04887	2.6
71.58403	1.1
72.99162	3.6
73.02826	5.6
73.54496	0.9
77.59449	1.0
78.95760	1.5
80.02540	0.9
81.03323	1.8
82.70956	0.9
83.01247	3.3
83.04892	1.9
85.02812	7.6
86.14055	0.8
86.60696	0.8
87.00758	7.7
89.02316	24.7
91.05399	2.1
93.03342	6.7
95.01265	1.6
95.04890	2.8
95.62650	0.8
96.02577	0.8
96.95891	8.2
97.02834	3.4
98.03614	1.5
99.00750	2.3
101.02325	15.6
107.04866	1.1
108.02081	2.3
109.02819	3.6
109.06480	9.2
109.73057	0.8
111.00783	2.1
111.04397	3.9
111.08026	2.6
112.07516	1.0
113.02328	9.1
119.03402	5.3
119.04905	2.0
121.02808	1.0
121.06445	1.1
122.03619	3.3
123.04367	1.2
123.08022	1.3
125.02312	5.0
127.03872	1.1
133.02873	1.2
133.06473	0.8
135.04410	15.6
136.04738	1.4
137.02321	2.8
137.09528	1.3
143.03386	2.9
143.10573	1.1
145.06500	2.3
152.01144	1.0
153.01811	1.6
159.04408	1.5
161.02345	13.9
161.04463	2.7
161.06033	0.9
163.11192	1.1
165.05405	1.1
167.10727	1.6
171.10240	1.0
173.04456	7.7
175.07602	1.4
177.01845	1.3
177.09119	15.2
179.03516	1.1
179.05493	4.5
191.05551	10.9
195.13770	2.8
209.11713	1.3
219.06570	1.1
221.06607	1.0
235.08228	5.4
235.13364	1.1
245.19165	4.3
253.09189	1.4
271.16882	1.1
277.05243	1.1
277.09045	1.1
287.16635	2.2
289.18094	100.0
290.18359	8.0
307.19177	7.9
339.12628	5.4
397.13522	26.4
398.13617	1.9
415.14590	20.8
416.15112	1.4
501.17709	4.6
543.18738	2.8
543.31842	1.5
661.35376	1.3
687.32196	1.4
705.23547	1.3
705.35297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.9
58.00479	4.3
59.01250	80.7
70.55080	6.1
70.55473	6.4
71.01250	52.1
72.99191	3.2
73.02822	10.3
74.16621	2.7
74.99674	2.7
77.31626	2.7
78.29702	2.5
81.03321	4.1
83.01279	12.4
83.04893	4.0
85.02798	13.6
87.00755	12.5
89.02320	45.4
93.03342	5.1
95.01286	3.3
96.95884	6.8
97.02838	9.0
97.06480	6.2
98.95470	3.7
99.00775	7.6
101.02319	36.6
103.91925	4.4
108.01991	2.6
109.02859	6.8
109.06481	9.1
111.00767	3.9
113.02341	19.9
113.06009	3.2
119.03403	15.9
119.04919	2.9
119.08584	2.3
121.02804	2.7
123.04398	4.4
123.08030	7.0
125.02348	10.9
125.09621	6.2
133.02878	6.8
135.04407	26.6
137.02301	3.8
139.03833	3.8
143.03404	5.8
151.11153	6.9
161.04448	7.5
163.11168	7.7
165.12796	7.3
171.10149	4.7
172.05222	3.1
173.04440	6.6
177.01816	4.2
179.05522	5.2
181.12274	9.8
183.13782	3.9
191.05528	18.4
191.10745	5.9
191.14346	8.2
193.08450	3.1
207.10201	17.6
209.11768	35.4
211.13414	6.6
224.64435	2.7
225.11266	8.9
227.12885	11.9
235.08203	8.2
237.11278	6.1
245.19038	11.5
253.09390	6.2
263.07852	3.9
263.20215	8.7
289.18082	60.6
290.18442	5.3
307.19180	100.0
308.19531	8.0
309.04190	3.5
339.15756	4.2
379.12091	42.8
397.13559	41.6
415.14642	38.5
416.14725	3.7
607.25842	12.1
673.34351	7.6
705.33484	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09686	0.3
58.00448	0.3
58.35741	0.3
59.01251	7.9
61.05625	0.3
69.33012	0.6
69.33411	2.8
71.01254	4.3
73.02827	2.6
76.23257	0.4
83.01257	0.8
85.02808	1.4
87.00719	0.4
89.02322	2.1
91.95621	0.3
93.03335	0.7
96.59326	0.3
96.95890	1.2
97.36024	0.3
101.02312	3.8
108.02047	0.5
108.04432	0.6
109.02833	0.8
110.59908	0.3
113.02321	1.3
119.03410	0.9
119.04899	3.4
122.06002	1.0
123.03124	0.4
125.02322	0.4
132.04482	0.4
135.04425	1.0
137.02327	0.5
150.05498	0.5
152.00961	0.3
152.07085	1.5
153.01799	0.8
154.02208	0.3
161.04463	1.1
173.04451	0.8
177.01756	0.4
179.05553	0.5
186.09193	0.4
189.34465	0.3
190.05037	0.9
191.05553	3.1
192.05817	0.3
213.06680	1.5
214.07161	1.9
215.08070	0.8
216.10307	0.9
217.03032	0.3
218.08342	0.3
227.08162	0.6
227.11786	1.6
228.08911	0.6
229.09744	6.2
230.10219	0.5
231.11298	0.9
239.08400	0.5
243.11349	10.3
244.08386	2.0
244.12103	5.8
245.09296	2.3
245.11714	0.3
255.11389	3.9
257.09299	25.3
258.09668	1.4
259.10861	9.2
260.11588	3.0
265.09494	0.4
271.10886	1.2
272.11670	13.8
273.12158	2.3
275.10373	12.8
275.13373	0.6
276.10724	0.9
277.12018	0.5
288.11172	0.4
289.11771	0.3
290.12717	8.9
291.13123	0.6
303.09845	1.1
316.10623	3.7
317.10739	0.4
321.11295	2.8
322.11551	0.5
331.12976	5.4
334.11703	6.4
334.15433	0.6
335.12091	0.4
349.14041	100.0
350.14362	7.7
350.18610	0.5
355.13083	1.8
364.16916	0.4
483.16525	0.6
483.29477	0.3
543.18671	1.0
555.22302	0.5
597.23621	1.2
629.26385	3.2
630.27008	0.4
645.34753	1.1
663.35693	0.7
705.23541	2.3
717.63623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69754	0.2
59.01251	3.5
63.54660	0.2
64.56320	0.2
65.03830	1.9
65.42313	0.2
67.01748	0.4
69.45674	1.8
71.01270	1.0
71.94340	0.2
85.02827	0.3
89.02323	0.8
91.05408	9.3
92.05762	0.3
93.03328	2.2
96.95859	0.2
101.02324	0.5
107.04906	0.2
109.02839	13.1
109.06432	0.2
110.03162	0.4
111.64168	0.2
113.02295	0.2
121.02842	12.6
122.03162	0.5
123.04402	0.2
125.86535	0.2
133.02875	0.9
135.04416	100.0
135.86983	0.2
136.04750	3.8
147.04413	5.9
148.04900	0.2
149.05981	0.4
151.03947	0.2
159.04417	5.1
161.05971	0.4
163.04004	0.2
173.05937	0.4
174.03188	0.4
177.05519	0.7
187.07610	0.4
189.05550	0.6
191.05556	0.7
191.10712	1.8
194.05759	0.3
194.90808	0.2
201.05515	0.4
202.09964	1.4
207.10204	0.2
211.13446	0.3
217.12285	20.0
218.12631	1.0
253.09343	0.2
279.08762	1.8
289.18091	0.6
307.19110	0.9
339.15997	49.1
340.16342	3.9
363.15961	0.4
397.13596	0.4
415.14401	0.4
437.55136	0.2
483.20230	9.1
484.20419	0.9
501.21326	11.8
502.21509	1.6
543.22308	12.5
544.22888	1.3
653.99298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.6
59.73960	1.1
63.52897	0.9
67.01752	2.0
67.94102	0.9
71.01239	1.8
71.37820	2.3
73.02831	1.0
82.80118	0.9
85.02834	9.1
87.00747	2.7
89.02332	1.3
93.03337	11.3
96.95924	1.4
105.03389	1.2
109.02866	5.1
111.04407	1.9
111.20692	0.9
121.02845	2.8
124.37640	1.0
127.03922	1.7
133.02855	3.6
135.04405	4.1
155.03366	1.7
161.02362	9.2
173.04478	7.7
177.01837	1.2
179.03397	3.0
185.02356	1.9
191.05544	51.9
195.08060	2.1
203.03416	1.0
211.07545	1.7
221.06035	3.1
223.07553	4.1
229.01378	2.0
237.05426	2.8
239.07104	3.5
249.05469	3.4
250.06161	1.5
251.07219	4.7
265.05225	1.9
267.06638	8.9
277.05090	3.9
279.02875	1.2
293.04562	6.2
295.06125	13.5
296.06464	1.8
311.05624	3.6
321.03986	15.3
339.05081	80.3
340.05530	6.2
487.12311	1.8
495.08844	1.1
513.10352	100.0
514.10748	15.0
517.83612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89522	0.4
55.01751	0.5
57.03320	1.1
58.00465	0.5
59.01251	28.4
68.79626	0.5
69.03332	0.8
71.01255	19.9
71.58904	0.8
72.60902	0.5
72.99187	0.5
73.02821	24.0
78.95744	0.8
81.03339	0.7
83.01261	6.9
83.04887	0.5
85.02837	3.3
87.00787	0.7
89.02305	3.8
91.05409	0.7
93.03357	2.8
96.95889	3.6
99.00742	0.9
99.04411	0.7
101.02325	16.9
102.02652	0.5
108.02081	0.5
109.02873	2.3
113.02345	4.2
117.03338	0.6
119.04918	100.0
120.05247	4.6
121.02840	1.5
123.04443	0.5
125.02348	1.2
131.03349	1.4
135.04410	11.2
139.03984	0.6
143.00363	0.5
143.03410	1.1
143.89160	0.4
145.02844	1.1
149.04485	0.7
151.88182	0.4
152.01036	0.5
153.01947	0.6
153.58774	0.5
154.72939	0.5
155.03432	0.6
157.06511	5.0
159.64917	0.5
160.03990	0.6
161.04512	2.7
173.04536	2.8
173.05821	0.5
175.07529	1.6
191.05522	4.1
193.08678	1.3
201.05473	4.9
205.03714	1.4
209.11751	1.9
219.06570	1.7
227.12830	1.5
299.01901	0.8
301.11969	0.5
315.12387	8.3
316.12750	0.8
321.11304	60.2
322.11636	6.6
339.05099	0.5
345.10876	1.6
363.12354	1.0
420.02036	0.6
423.12946	0.8
434.97598	0.5
457.31943	0.8
477.17499	1.6
543.18732	73.0
544.19073	12.1
585.19733	1.2
645.34839	1.0
661.36743	1.5
663.36194	0.9
669.40625	0.7
689.62616	0.6
705.23584	0.6
705.38965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
59.01252	20.4
65.03825	1.2
67.01772	0.9
71.01251	9.2
71.04884	1.0
71.58656	0.9
73.02824	2.8
78.95795	1.2
83.01270	1.0
83.04906	2.4
85.02825	5.3
87.00738	1.6
89.02315	5.5
91.05413	7.1
93.03354	3.9
95.01260	1.4
96.95905	5.4
97.02827	1.6
101.02332	5.7
108.02091	1.1
109.02837	15.6
110.03242	0.9
111.00800	1.0
111.04374	1.3
113.02339	5.0
114.68859	0.7
119.03387	2.2
119.04906	1.3
121.02859	10.4
123.04400	1.4
123.99100	0.8
125.02393	1.6
127.03903	3.8
135.04420	100.0
136.04778	3.0
137.02354	2.8
139.03989	1.5
139.07562	1.2
142.02576	0.9
143.03441	1.0
147.04437	2.1
148.05199	5.4
149.02287	1.0
149.05916	1.3
151.03877	1.1
152.01044	1.0
153.01840	3.3
159.04427	1.4
160.05203	3.2
161.02402	0.8
161.04425	2.1
161.05708	0.7
163.07565	4.3
163.11115	0.9
165.05501	1.1
167.07071	1.3
170.60492	0.8
173.04491	2.8
175.07574	8.5
177.01878	1.5
179.03424	2.0
179.05493	1.7
181.12259	2.0
187.03993	0.8
191.03854	1.3
191.05511	7.2
193.08633	19.5
195.87688	0.6
207.10254	4.2
225.11264	9.7
315.12396	36.5
316.12790	3.6
324.07266	0.8
337.10873	1.5
341.93454	0.8
387.10849	1.2
402.13153	3.5
455.30161	2.2
477.17703	44.3
478.17908	5.0
525.10004	1.8
606.19586	1.9
643.33429	1.3
659.36090	1.8
661.34637	1.5
689.62897	0.9
703.22913	1.1
703.38507	2.4
704.23206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2462
Annotation	Argylioside
Peak:m/z	Relative Intensity
55.01758	0.8
57.03312	1.3
58.00459	1.0
59.01251	25.8
61.77073	0.7
68.99686	0.6
69.03314	1.1
71.01257	16.1
71.58302	0.9
72.99154	1.7
73.02834	3.1
81.03311	1.4
83.01237	2.0
85.02822	8.3
87.00726	1.0
87.04379	1.5
89.02315	8.8
91.01786	1.2
93.03332	3.1
95.01273	4.5
95.04869	0.7
96.95866	1.0
99.00774	1.2
99.04346	0.6
101.02313	7.1
108.02053	72.3
109.02847	38.0
110.03123	0.8
113.02331	4.3
119.03355	1.5
121.02809	2.4
123.00787	3.3
123.04353	2.3
123.19147	0.7
125.02302	1.1
131.86922	0.6
135.00710	2.6
135.04384	1.8
137.02327	1.1
139.03874	0.9
139.11224	0.9
151.03876	2.9
152.01060	72.5
153.01846	36.8
154.02122	1.5
163.03831	1.3
163.11102	1.9
165.01801	1.0
175.03856	1.0
177.01830	0.9
179.05464	0.7
181.12254	5.5
183.10133	1.0
191.05492	3.9
201.11186	0.7
207.10135	0.7
209.07837	0.6
225.11288	3.9
249.11192	1.0
259.08469	0.6
272.25003	0.6
281.09186	1.8
315.06949	2.5
391.26642	1.0
429.06357	0.7
453.39267	0.7
479.19281	8.2
505.17035	1.1
523.18140	27.1
524.18195	2.7
541.19287	13.9
542.19385	2.0
583.19684	1.0
609.16736	2.0
627.17743	1.1
635.65930	0.7
643.22150	1.6
653.15747	2.5
671.17242	8.3
672.17767	1.3
703.24127	100.0
704.24670	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76733	0.8
59.01252	13.5
64.28927	0.7
71.01251	4.4
73.02825	6.1
83.01254	1.5
85.02799	0.7
89.02328	1.1
89.03831	1.9
93.03348	0.7
101.02322	4.9
109.02815	3.9
113.02328	2.0
119.03420	0.6
125.02385	0.7
133.02858	6.2
149.04424	1.6
161.02350	0.8
161.04477	2.3
177.01866	100.0
178.02226	4.4
189.01892	1.5
191.03647	1.0
191.05428	1.5
201.01904	4.0
219.02951	5.2
222.58636	0.6
251.39929	0.7
318.08685	0.8
339.07199	32.4
340.07581	2.2
684.79120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45294	0.7
57.03320	5.6
58.00469	2.1
59.01252	11.6
69.03336	1.7
69.29439	1.3
69.29841	7.1
71.01257	5.8
71.04899	1.6
73.02831	2.6
75.00752	1.6
78.95785	1.7
81.03342	2.1
83.01285	0.9
83.04894	2.4
85.02831	3.1
87.00753	2.5
89.02319	6.1
93.03335	3.1
95.01273	1.5
95.04900	1.2
96.95900	2.0
97.06470	7.7
99.04391	6.6
101.02313	3.7
107.04911	2.1
108.02060	4.0
109.02868	4.8
109.06477	16.3
111.04429	2.7
111.08043	2.8
113.02339	2.0
113.09612	1.2
119.03411	1.2
119.04900	1.0
121.06491	1.1
122.03413	0.8
123.04437	3.3
123.08051	22.3
123.08920	1.4
124.08379	0.8
125.02326	3.1
125.05997	1.4
125.09621	2.6
127.03889	0.9
127.07513	1.8
127.11213	1.9
135.04422	2.6
135.08044	14.1
135.92642	0.7
137.02370	2.3
137.09619	3.4
138.06767	8.5
141.09106	5.1
142.09622	0.8
143.03452	1.0
145.04979	7.8
149.06017	1.3
149.09637	8.6
150.06767	21.3
151.00302	0.8
151.03941	1.7
151.07509	1.6
152.01059	4.0
153.01834	4.0
153.09120	34.5
154.09392	1.5
161.02435	0.9
161.04425	1.3
163.07571	7.3
164.08327	2.5
167.03418	1.2
167.10730	5.2
173.04485	2.1
173.08142	2.7
175.00169	0.8
177.09122	1.4
178.09927	1.1
179.05545	0.9
179.10674	8.3
187.09689	33.3
188.10071	1.2
191.05583	6.1
200.16342	0.7
211.13271	1.0
217.10770	97.4
218.11067	4.4
231.12349	48.3
232.12631	2.3
239.41312	1.0
259.15427	1.4
292.16986	1.2
306.18246	2.9
307.19025	1.5
320.20001	1.9
321.20746	1.7
336.19177	1.9
350.20889	0.9
351.21695	4.8
389.25259	2.3
393.26691	1.6
397.31958	0.9
445.11371	0.9
453.03238	0.8
510.45978	0.8
521.23425	1.2
521.31244	4.1
538.31146	1.0
539.32440	2.9
575.38721	0.8
683.36493	9.5
684.36902	1.3
684.76129	1.0
701.37646	100.0
702.37982	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	9.4
58.00480	1.0
59.01253	17.4
61.98699	1.4
67.01750	1.2
69.03325	2.6
69.34352	8.3
69.34755	2.1
70.32983	0.9
71.01251	8.0
72.99191	1.1
73.02832	2.9
83.01216	1.3
83.04903	1.9
85.02830	5.7
87.00735	2.4
87.04386	4.8
89.02309	9.6
93.03345	4.1
95.04917	1.0
96.95856	4.4
97.06483	2.2
99.04382	2.7
101.02338	4.1
105.03316	1.0
108.02062	3.9
109.02841	4.3
109.06467	5.9
111.04381	2.1
111.08026	1.5
111.16576	1.2
113.02349	2.5
119.03373	1.9
119.04919	1.9
121.02851	3.0
122.03634	1.2
123.04401	4.4
123.08046	7.1
125.02383	1.3
133.02823	1.4
134.03616	1.1
135.04456	4.5
135.08060	5.5
137.02354	4.8
137.05988	1.5
137.09612	1.1
138.06775	2.1
141.09109	3.0
149.02454	1.9
149.05971	2.0
150.03058	1.9
150.06767	31.4
151.07520	0.8
152.01024	2.9
153.01851	3.7
153.09120	8.5
155.07025	1.1
161.04462	0.9
162.06731	1.5
163.03860	1.9
163.07576	5.1
164.08325	5.5
165.05499	10.7
165.09117	1.9
166.51668	0.9
167.03412	1.6
167.10629	1.4
173.04492	2.6
173.08105	20.9
173.09482	2.0
174.08540	1.2
174.93831	1.0
177.01706	1.3
177.05537	1.3
177.09125	1.3
178.10005	1.7
179.03313	1.6
179.10693	10.6
182.02132	1.4
185.08243	0.9
187.09679	11.4
191.05540	6.1
203.09196	2.9
205.08649	5.8
217.08688	5.1
217.10706	23.6
231.12379	7.3
235.09836	2.6
321.20770	2.1
335.22266	1.3
341.13831	7.1
341.19788	1.4
350.20953	2.1
351.21713	3.3
364.22626	1.4
365.23236	4.4
389.25537	1.1
503.19214	19.2
503.29739	1.1
504.19699	3.8
520.30719	1.4
521.24243	1.3
521.31329	4.0
523.08801	2.1
539.32281	4.0
540.20007	1.1
594.24469	1.2
658.35590	1.3
683.36859	5.9
684.37219	1.1
697.46832	1.1
701.37677	100.0
702.37939	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.08106	0.5
70.92262	0.5
70.92563	0.9
90.49305	0.5
232.20531	0.5
423.11334	0.7
437.12503	0.7
438.13162	4.2
439.13971	0.8
451.14050	0.6
452.14694	2.9
453.15417	0.8
467.13403	0.6
480.14340	1.4
481.15201	29.6
482.15601	7.4
495.16727	11.5
496.17542	2.9
497.18359	6.6
498.18341	1.5
514.14758	2.7
523.16028	0.8
525.14453	1.2
539.15472	2.5
540.16339	7.6
541.16968	2.3
553.17242	0.8
554.18127	3.0
555.18842	59.2
556.19049	11.6
567.19238	1.0
569.20422	0.7
572.15466	14.8
573.15814	2.8
586.17206	6.9
587.17413	1.3
609.19781	1.1
627.21185	1.5
641.12000	1.1
641.22595	24.5
642.22791	6.3
701.24689	47.9
702.24927	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91814	1.2
61.98698	2.2
69.28444	14.3
78.95791	1.9
95.37334	1.3
96.95901	8.6
98.95470	4.3
99.92457	100.0
100.92469	4.4
100.93243	3.6
115.91962	76.5
116.92017	2.9
116.92742	51.1
117.92747	3.4
121.06454	1.6
121.10050	1.4
131.16260	1.1
160.23199	1.5
171.10243	2.0
228.37773	1.3
255.23280	2.2
290.18399	1.3
291.19604	7.8
293.05023	1.8
295.22794	1.6
304.04254	3.0
307.19083	1.8
322.04980	7.8
342.36600	1.5
369.07687	1.6
371.09583	7.7
372.09906	3.2
373.11185	10.4
375.12595	2.4
385.07684	2.8
386.07480	1.4
387.09058	14.8
388.09384	3.7
389.10513	6.8
390.10590	1.8
391.12250	2.6
403.08795	3.0
405.10043	3.3
463.07581	1.4
519.24860	1.4
596.24591	2.7
665.31470	10.1
666.31970	3.7
679.29706	7.4
683.32648	2.8
701.33502	6.4
702.33234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	45.8
70.54134	2.2
71.01252	8.0
71.58124	2.9
71.58489	2.9
78.95733	2.9
83.04890	2.3
85.02827	4.1
87.18165	2.0
89.02328	3.2
90.59889	2.1
91.05386	8.0
93.03335	5.6
96.95901	7.8
101.02310	5.7
102.49630	1.9
109.02853	14.4
121.02844	11.9
128.31354	2.4
135.04413	100.0
135.08015	10.5
136.04800	2.4
137.02335	8.6
147.04417	4.6
152.01070	5.7
153.01813	3.7
159.04381	4.0
167.03410	6.9
173.04462	3.8
177.09164	3.5
191.05544	11.2
194.64667	2.6
217.12325	17.4
309.20663	2.4
339.16010	63.9
340.16312	6.4
501.21320	77.0
502.21600	10.1
655.40466	4.9
699.24084	54.9
699.43066	5.8
700.24432	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.1
57.03318	3.8
58.00452	4.6
59.01252	100.0
69.03336	2.2
69.42393	5.6
69.42812	8.4
71.01251	49.4
71.04902	2.5
72.99184	5.9
73.02822	10.4
83.01269	8.8
85.02816	20.2
87.00743	5.6
87.90878	1.4
89.02319	28.0
93.03340	5.1
95.01255	2.7
96.95884	5.3
97.02822	1.9
97.06477	1.5
99.00745	2.3
99.04394	20.2
101.01696	2.2
101.02322	27.0
108.02050	6.0
109.02847	9.6
111.00836	1.7
111.26985	1.7
111.38992	1.5
113.02325	18.2
115.00266	2.1
119.03397	10.4
119.04920	5.8
121.02839	2.6
123.04369	4.6
127.24653	1.4
135.04440	10.4
137.02348	3.7
143.03374	2.8
152.01064	6.5
153.01849	8.0
161.04465	4.3
163.03891	3.3
170.79416	1.7
173.04436	4.5
175.02428	3.1
177.01854	2.6
179.05606	1.7
191.05521	18.1
192.05945	1.9
205.74756	1.5
271.06146	3.1
285.04028	3.4
302.73758	1.6
375.24207	2.2
413.25272	3.8
431.26385	10.3
457.28262	9.3
473.27570	95.6
474.27969	11.8
475.29193	4.6
517.30170	4.9
611.33289	1.9
653.33911	29.5
654.34015	4.9
697.32288	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07869	1.4
56.69849	1.5
57.03329	3.8
58.00434	1.9
59.01251	76.1
61.98681	1.5
69.25636	3.5
69.26042	16.7
71.01261	43.5
72.99187	6.6
73.02826	6.2
76.04077	1.7
83.01272	4.8
83.04879	1.8
85.02823	14.5
86.56953	1.7
87.00769	6.0
89.02325	27.0
93.03333	6.1
95.01280	3.1
96.95888	5.6
99.04378	10.2
101.02332	26.8
108.02054	5.6
109.02861	7.4
111.00790	1.9
111.04450	2.3
113.02330	19.4
119.03399	10.4
119.04919	6.3
121.02834	6.0
123.04433	4.0
125.02328	2.7
135.04402	15.4
136.04842	1.6
137.02332	7.7
137.05902	1.8
149.02325	3.4
149.05989	2.5
150.06749	1.9
151.03854	1.7
152.01051	3.0
153.01836	3.1
159.63565	2.0
161.02361	4.2
161.04437	4.5
161.13269	64.7
162.13576	3.6
163.03896	5.6
173.04546	8.2
174.01682	1.8
175.11293	1.7
177.01826	6.8
177.05420	1.7
178.02228	1.7
179.03413	3.5
179.05626	3.4
187.11168	7.9
191.05533	22.6
192.05872	2.8
196.62239	1.6
205.12296	47.4
206.07874	1.8
206.12578	1.9
231.10190	1.8
249.11304	100.0
250.11635	5.7
287.22043	2.0
291.12503	4.0
367.17572	3.4
373.26062	2.1
411.16531	6.1
429.17520	9.3
449.27509	4.7
491.28867	5.9
492.88403	1.8
517.20776	95.3
518.21094	12.1
611.33344	2.6
637.35547	2.6
665.28357	3.1
697.25751	25.9
697.37036	4.9
698.25989	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.1
63.29817	0.7
65.03831	10.0
67.01761	18.1
67.34711	0.7
69.59944	6.5
71.01253	3.7
73.02847	1.0
79.05415	1.4
81.03331	1.6
85.02826	1.4
87.00780	1.1
89.02303	1.9
89.31139	0.9
91.05417	10.9
93.03333	4.5
96.95892	1.1
99.04395	1.8
101.02333	2.2
107.04916	4.0
108.02050	2.2
109.02839	53.9
111.00750	4.6
113.02347	2.1
117.03358	1.4
119.04916	3.2
121.02843	11.9
122.03654	1.7
123.04431	5.4
131.04924	3.2
131.08597	1.2
131.37970	0.9
132.58589	0.8
133.02850	4.1
133.06477	1.7
134.03587	1.2
135.04416	95.1
136.04735	3.2
137.02339	1.7
147.04427	3.4
149.05969	2.2
153.01845	32.3
153.05466	19.5
154.73053	0.9
155.08592	1.4
157.06509	1.2
159.04416	6.0
161.02344	12.1
161.06003	1.9
163.03957	2.2
165.01831	2.5
165.05475	2.9
172.05142	1.1
173.04568	1.6
173.05956	11.6
175.03943	8.3
175.07561	17.3
177.01872	5.5
177.05479	16.9
179.03436	9.8
181.05013	1.2
183.08153	2.2
191.05521	6.8
195.06534	11.4
197.04486	2.9
199.07588	3.5
201.05511	1.4
201.09169	3.0
203.03418	2.1
203.07056	3.2
205.01408	5.9
209.05991	2.1
211.03961	9.4
212.04272	1.4
213.09134	0.8
215.07143	3.2
217.05038	5.6
219.02975	2.1
219.06558	4.7
221.08174	2.4
225.05510	12.6
226.05916	1.2
227.07091	42.2
228.07361	3.0
239.07011	1.0
245.08182	2.6
253.08719	2.9
269.04553	2.4
271.06122	53.9
271.09354	2.6
272.06528	2.3
278.09314	0.9
279.06699	2.0
293.08228	3.0
297.07919	1.3
301.12234	1.3
303.10114	1.2
307.09753	1.9
313.07211	1.6
317.08337	1.3
319.09656	2.9
333.11230	1.4
337.10718	2.0
339.08774	2.3
345.11368	4.5
351.08817	1.2
355.08441	1.7
355.11887	4.9
363.08469	4.3
363.12387	3.2
364.08926	1.1
381.09766	63.5
381.13565	2.3
382.10229	6.4
382.14590	1.3
407.11462	3.5
410.33569	0.9
423.10764	1.9
425.12399	10.1
517.14948	14.5
518.15332	1.2
535.16107	100.0
536.16394	15.3
543.15308	2.3
568.68909	1.0
569.17010	1.7
577.16687	1.4
587.17645	5.7
598.65668	1.1
629.75226	0.9
679.20160	8.2
680.21021	1.0
697.21173	17.8
697.30939	0.9
698.21844	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.3
62.99545	0.8
65.03831	10.2
67.01761	16.8
70.35243	2.8
71.01230	1.2
73.02805	1.4
79.05398	1.9
81.03328	1.4
83.01260	1.3
85.02819	1.6
87.00773	1.2
89.02322	1.7
91.05408	14.1
93.03320	3.6
96.95951	1.8
99.04436	1.0
101.02302	1.6
105.03323	1.0
107.04909	5.4
108.02064	1.3
109.02841	51.5
110.03158	2.5
111.00738	4.4
112.78403	0.9
113.02344	1.7
117.03328	1.5
119.04905	2.4
121.02845	10.6
122.03607	0.9
123.04416	5.4
131.04921	2.5
131.08568	1.0
133.02873	4.2
133.06462	1.9
134.03528	0.9
135.04424	83.9
136.04802	2.6
137.02319	2.1
147.04420	3.6
149.05994	1.2
150.03099	1.1
153.01849	31.4
153.03081	1.5
153.05473	16.3
154.02155	1.2
155.08577	2.2
157.06549	1.6
159.04443	3.9
161.02368	10.5
161.06035	2.0
163.03961	2.0
165.01814	1.7
165.05478	2.9
173.04588	2.1
173.05969	12.4
175.03905	7.4
175.07579	15.1
177.01900	5.1
177.05498	19.9
179.03433	7.9
181.05045	1.5
183.08147	1.0
185.05951	1.0
191.05533	3.8
195.02991	1.1
195.06570	11.0
197.04369	1.6
199.03975	0.9
199.07616	2.0
201.09203	3.1
203.07094	3.6
205.01364	4.1
209.05995	2.2
211.03984	10.2
213.05356	1.2
215.07156	3.4
217.05019	4.1
219.02992	2.2
219.06592	3.6
221.08127	2.2
225.05551	11.8
226.05876	0.8
227.07097	40.6
228.07401	2.8
229.04892	1.0
245.08171	2.6
249.09288	1.1
253.08684	3.5
269.04559	1.3
271.06122	47.1
271.09573	4.1
272.06540	3.6
273.09235	1.3
279.06528	2.1
293.08206	3.2
301.08731	1.3
307.09772	2.2
313.07468	2.0
319.09680	1.4
339.08679	2.4
345.11322	3.5
351.08701	1.8
355.08255	2.2
355.12009	4.4
361.68042	0.9
363.08615	6.4
363.12653	3.0
381.09747	62.2
382.10034	6.1
407.11490	3.5
423.10828	1.3
425.12466	8.9
517.15057	13.4
518.15259	1.2
535.16101	100.0
536.16418	13.5
543.14996	3.1
569.16437	1.8
587.17700	3.8
597.58405	1.1
679.20007	6.6
697.21149	15.9
697.32397	1.0
698.21649	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01596	1.1
60.38997	0.5
61.98724	0.5
69.62811	3.6
71.01263	0.5
93.03361	1.0
98.20585	0.4
109.02837	1.8
117.03313	0.7
119.04907	3.7
121.02815	2.5
123.04402	0.6
134.03667	1.9
135.04437	1.9
137.02348	2.8
145.02888	0.6
149.06056	0.6
151.04008	0.6
163.03952	2.8
171.10239	0.9
173.04462	0.9
175.03928	0.7
178.02673	0.9
179.03448	0.7
191.03568	0.6
191.05547	1.3
193.04959	2.6
200.46721	0.5
209.04521	1.6
217.04968	0.8
222.07365	0.5
241.05136	0.6
309.21027	0.6
386.79840	0.5
414.71820	0.5
511.80005	0.4
593.13855	0.6
628.57190	0.5
661.28229	0.5
697.23792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73946	0.7
53.82257	0.6
59.01232	4.3
60.95581	0.7
65.03835	5.8
65.04134	0.9
67.01760	16.7
67.22882	0.7
70.56710	1.5
70.57105	1.3
71.01252	1.3
77.03853	0.9
79.05410	0.7
83.01247	0.8
85.02827	1.8
91.05412	10.4
93.03331	2.2
93.32847	0.6
96.12320	0.8
98.19893	0.8
107.04926	1.1
108.02060	1.5
109.02835	44.9
110.03169	1.4
111.00764	2.1
113.02296	0.9
117.03369	1.2
121.02832	6.8
122.03635	1.0
123.04409	6.2
131.04945	2.0
131.08607	1.5
133.02881	1.6
133.06502	1.2
135.04414	100.0
136.04730	3.4
147.04422	2.3
149.02408	1.4
149.05969	1.4
153.01848	24.1
153.05476	22.5
154.02184	0.8
154.05829	1.1
155.08591	3.1
159.04428	2.6
161.02365	10.0
161.05997	1.7
165.01857	1.1
165.05435	1.1
167.03407	1.8
167.04886	1.0
171.08099	0.9
173.06009	7.9
175.03929	8.1
175.07559	8.1
177.01872	4.3
177.05478	9.1
179.03450	6.0
181.06500	1.1
183.08069	9.9
185.06004	1.5
191.05566	1.7
195.02989	1.7
195.06519	1.8
197.04512	1.4
199.03944	1.2
199.07576	2.2
201.05507	1.0
201.09120	1.1
203.03445	1.5
203.07109	2.7
205.01413	3.4
209.06039	0.9
211.03928	15.1
212.04448	1.1
213.05627	0.7
214.06171	0.9
215.07080	3.8
217.05072	3.0
219.02954	2.4
219.06573	1.8
221.07965	0.9
225.05513	15.0
227.07088	85.0
228.07530	4.4
229.04982	2.0
239.07239	1.2
245.04509	0.9
245.08195	2.9
253.08742	1.8
269.04523	1.2
271.06125	58.6
272.06506	3.2
279.64679	0.7
283.06079	0.9
285.07666	4.4
293.08267	1.0
293.11780	1.0
307.09885	1.5
313.07181	13.3
313.10535	1.1
314.07617	0.8
319.09644	1.0
337.10754	4.4
339.08588	1.6
340.73718	0.7
345.11041	0.9
351.08710	1.2
355.11954	1.2
359.07727	0.7
363.08768	3.1
363.12711	1.0
373.09338	2.4
381.09769	66.9
382.10211	5.9
405.09628	0.9
407.11285	1.3
423.10846	5.0
425.12476	4.3
433.11365	11.9
434.11890	1.0
455.14792	0.9
483.12897	2.3
517.15112	10.6
518.15472	1.6
525.14111	1.1
535.16064	65.5
536.16431	9.5
543.15094	40.5
544.15399	4.0
577.17242	1.2
587.17352	0.8
595.22247	1.0
679.19983	1.3
697.21295	13.2
697.32678	1.1
698.21320	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36730	0.4
55.01751	0.5
55.88279	0.5
57.03331	0.8
58.00456	0.8
59.01252	100.0
60.01581	1.0
61.98708	0.8
70.78465	0.5
71.01257	13.6
71.15968	1.1
72.99213	0.6
73.02814	2.8
83.01270	1.1
85.02830	4.4
87.00777	1.0
89.02313	14.4
89.02824	0.8
93.03338	0.6
95.01293	1.2
96.95866	0.7
99.00779	1.3
101.02321	10.9
109.02869	1.6
113.02332	7.6
119.03376	7.1
121.02871	1.5
123.04389	0.7
124.01657	0.5
124.20035	0.4
125.02353	0.7
131.03456	0.9
135.04420	2.0
137.02422	0.9
143.03397	2.7
149.04515	1.0
159.02971	1.1
161.02409	0.8
161.04469	8.9
173.04541	0.7
179.05522	7.5
191.05626	1.7
193.01230	0.5
231.06572	0.5
241.04988	0.5
425.92389	0.5
437.34381	1.1
533.25525	1.0
635.41675	24.7
636.42072	3.9
695.23492	0.7
695.43286	4.5
696.43500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88235	0.5
56.32549	0.4
59.01252	100.0
60.01582	1.2
61.98699	0.8
66.95300	0.5
69.36976	4.7
78.95781	13.8
137.53149	0.5
138.90047	0.4
143.94708	0.5
149.00037	0.6
152.99602	0.6
205.15921	1.0
279.23209	0.7
310.96881	0.5
447.13419	0.6
634.72888	0.5
695.31158	48.8
696.31506	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71643	0.5
55.01761	3.5
57.03327	4.9
58.00476	2.1
58.45354	0.6
59.01252	98.8
59.88903	0.5
60.01578	1.0
60.25072	0.6
61.98705	0.7
67.01772	0.8
69.03329	2.1
71.01254	57.1
72.01599	1.0
72.99163	3.3
73.02818	13.8
75.00748	0.9
78.95757	0.7
81.64035	0.6
83.01254	9.5
83.04911	0.7
85.02825	28.3
85.99978	2.0
87.00761	4.2
89.02321	15.1
93.03349	2.0
95.01272	6.5
96.95881	1.3
97.02827	4.0
98.20566	1.4
99.00754	6.3
99.04370	0.7
101.02323	35.0
102.39503	0.5
107.29970	0.5
108.02055	1.1
109.02848	2.4
109.06513	0.9
111.00764	3.7
112.01563	1.5
113.02338	27.0
115.03899	0.7
115.50605	0.5
119.03391	4.1
119.04945	1.0
121.02855	0.8
123.04443	0.7
124.01559	2.7
125.02355	7.4
129.01840	0.9
131.01137	0.6
135.04399	2.7
137.02332	4.1
141.01830	0.9
142.02574	0.7
143.03410	5.7
149.06009	0.6
151.03935	0.8
153.21788	0.5
159.02934	2.4
161.02353	1.5
161.04460	6.2
163.03860	0.6
171.10165	0.6
173.04475	1.3
179.03404	0.6
179.05515	0.7
191.05550	7.1
225.05376	0.6
233.85753	0.7
245.54883	0.5
260.40781	0.6
267.23309	1.5
283.26501	1.9
289.18033	0.7
307.19168	1.0
329.30722	2.5
353.04388	0.6
358.53787	0.6
386.08215	0.9
473.34930	6.1
474.35217	1.3
491.35858	13.3
492.36133	1.3
521.23694	1.2
561.36505	1.0
571.37860	0.9
587.38519	0.9
599.38031	1.6
635.40125	100.0
636.40399	18.3
653.41156	74.9
654.41370	11.4
695.42096	11.2
696.41748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	28.6
61.65272	2.3
71.01248	17.1
71.57919	4.5
73.02820	5.2
83.01274	3.4
85.02833	9.0
87.00731	5.0
89.02312	47.6
89.67419	2.6
93.02805	2.7
93.03330	14.3
94.02854	11.6
96.95872	7.7
99.00756	3.3
101.02332	11.1
105.59563	2.3
109.02855	4.1
110.06006	4.9
113.02318	7.0
122.05978	7.2
133.04971	15.1
135.04448	5.7
137.02310	15.3
138.05524	7.7
148.81076	2.7
150.05508	5.1
150.88028	2.5
153.01826	3.3
161.02335	4.0
161.04471	3.6
167.03470	2.9
173.04459	4.7
174.05597	2.6
179.03429	4.1
184.38843	3.1
191.05534	24.4
201.10283	3.6
219.06458	3.4
227.03523	3.7
227.11896	4.0
229.09802	8.6
229.13423	4.7
239.11728	6.7
239.31729	2.6
241.13901	2.9
255.02937	10.4
257.04459	3.8
264.08987	5.1
265.09708	2.8
267.06680	2.9
269.08221	4.1
273.12247	5.4
279.06940	3.3
279.11450	4.5
280.12695	2.4
281.08133	6.1
284.03256	10.0
285.04028	40.3
291.11319	5.5
292.08243	7.3
293.08698	3.7
294.08972	3.8
296.10681	3.3
297.07706	16.4
298.08163	3.4
301.11978	15.8
307.10928	17.9
308.11240	6.0
309.07672	26.8
309.11429	9.4
312.10040	17.3
319.12970	40.0
323.09192	7.5
324.09991	18.7
327.12387	100.0
328.12686	7.2
328.21014	2.8
339.12332	78.6
340.12747	4.8
343.13013	3.1
349.13922	2.9
350.08936	6.6
351.09769	11.8
359.15137	4.5
365.11890	3.4
417.15753	2.9
430.17874	3.5
492.17865	6.7
506.19250	14.2
519.07581	3.0
527.22809	5.5
538.21875	35.4
539.22571	5.1
545.24060	9.0
569.23901	6.4
571.22168	4.4
587.25189	22.9
603.24750	7.7
613.22974	5.3
631.23975	29.5
632.23828	5.2
645.25146	9.6
651.15454	13.2
663.26666	52.7
664.26788	5.1
695.28461	13.0
703.07617	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03466	2.8
59.01257	34.8
66.73126	2.8
68.10440	2.6
69.57124	2.7
69.76133	10.3
69.76555	8.0
71.01251	17.9
73.02818	8.3
82.02846	3.4
83.04898	4.5
85.02839	6.6
85.42536	2.7
86.58186	2.7
87.00771	5.6
89.02320	20.9
93.03339	7.4
94.02853	26.9
94.06512	3.0
96.95898	6.2
98.19840	5.7
101.02327	7.0
107.01264	4.4
108.01958	3.1
108.04395	5.0
109.02832	9.3
110.05977	8.5
113.02355	5.6
114.19442	3.1
119.03378	4.3
119.04974	3.5
122.05997	16.9
124.03930	4.3
131.81743	3.2
133.04961	6.1
133.86607	3.0
135.00731	3.5
135.04411	12.5
137.02342	11.5
138.05542	9.3
144.04457	4.1
150.05531	4.8
153.01918	4.3
159.04474	3.7
161.04594	4.5
163.15862	3.2
168.06602	3.7
173.04544	8.3
175.05153	3.8
179.03392	6.9
185.06061	3.8
186.05435	3.3
187.03903	3.9
188.07173	3.8
191.05527	21.4
201.10287	11.3
203.03426	2.8
213.05594	5.2
213.10249	7.9
215.11862	4.6
217.44536	3.3
220.03307	3.8
227.03455	13.3
227.11829	7.1
229.05023	9.5
229.09824	16.3
229.13210	5.7
230.05078	3.8
239.11899	9.8
241.05127	4.0
251.11803	4.3
255.03072	26.9
255.11482	7.2
257.04660	6.6
257.13019	9.2
259.10767	3.9
264.08981	9.8
265.09644	5.2
267.11447	6.8
273.12411	7.4
278.10480	3.8
279.11322	15.6
280.12015	4.6
281.13037	5.7
283.10831	5.2
284.03262	26.7
285.04053	96.1
286.04352	8.6
291.11444	13.9
292.08743	15.0
292.11777	5.2
293.09085	4.8
297.07605	6.5
301.11859	26.7
302.12457	3.7
306.10123	6.0
307.10834	40.1
308.11554	11.5
309.07736	11.1
309.12112	6.1
311.10458	5.9
312.10364	5.2
319.12973	74.6
320.13306	6.0
324.10110	8.4
325.11859	5.9
327.12311	29.7
339.12427	26.3
340.12701	4.0
349.14038	7.4
350.09119	14.8
350.14136	5.7
351.09946	37.0
351.14136	6.3
352.10098	4.0
356.43341	3.6
386.15128	9.4
387.15549	4.0
388.16443	4.5
404.16339	8.6
405.17203	3.8
429.16913	6.4
430.18042	5.2
432.15408	6.2
433.16678	3.9
437.15555	5.1
446.17026	4.7
447.17719	5.8
491.16904	3.9
492.17990	4.9
506.19550	24.1
524.20203	4.3
527.22784	7.6
538.22052	65.1
539.22430	6.5
545.23798	17.4
569.23889	13.0
587.25214	47.8
588.25519	7.3
601.25580	4.3
603.24658	13.1
613.23047	11.6
631.24207	52.1
632.24500	8.2
645.25537	14.8
651.15997	24.6
652.15826	6.2
653.34058	3.9
663.26727	100.0
664.26947	15.4
695.29504	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.6
59.01254	63.1
67.01765	3.9
71.01258	28.4
71.04872	3.3
72.99190	5.3
73.02821	11.4
75.00729	2.9
79.58660	2.9
83.04900	5.2
85.02826	20.4
87.00751	11.4
89.02309	13.0
92.32771	3.2
93.03373	17.7
94.02870	34.4
95.61700	3.5
96.95907	9.2
98.20568	7.3
101.02326	20.0
103.21919	3.0
108.02051	7.2
108.04474	5.6
109.02833	12.2
110.05978	5.3
111.04424	6.7
113.02333	12.3
119.03371	4.3
119.04920	5.7
121.02839	6.4
122.05970	18.3
124.03956	5.7
125.02345	3.1
134.05978	4.5
135.04417	21.6
136.03915	6.9
137.02367	11.7
138.05470	15.9
147.05502	3.8
150.03130	3.9
150.05438	6.1
151.00298	3.2
151.03902	6.7
161.02322	11.6
161.04489	7.3
163.03937	7.7
165.05504	6.7
167.80769	3.1
173.04442	17.2
177.01794	5.5
177.05434	5.8
179.03453	7.8
180.06584	5.5
181.04713	3.0
188.07076	4.7
191.05574	56.4
195.06628	4.1
201.10233	16.7
213.10210	4.4
215.11792	7.4
227.11913	6.3
229.09772	17.9
229.13466	7.7
233.12785	5.0
237.10318	5.6
237.95152	3.4
239.11818	11.4
241.09732	4.9
255.11293	5.8
257.12872	5.0
259.10910	4.1
264.08936	4.9
265.09866	6.1
267.11340	7.4
271.02512	4.5
271.10995	5.1
273.12277	5.9
275.10458	3.5
279.11389	10.0
280.11996	4.4
283.02719	4.7
283.10849	7.1
284.03848	4.0
289.11768	10.8
293.09259	6.7
300.02716	4.0
301.12054	28.3
307.10876	12.0
308.11194	4.0
309.12292	5.2
319.13004	76.1
320.13327	4.5
327.13495	5.3
334.15381	4.3
343.12869	7.0
351.09814	7.4
388.16498	5.1
403.15302	4.7
404.16214	5.3
406.17468	3.8
432.15509	4.1
447.18051	12.8
448.18527	9.8
462.20438	5.1
474.17096	5.3
491.16965	10.2
492.17670	11.5
506.19376	25.3
521.14667	3.5
527.22980	6.8
538.22046	53.2
539.22552	10.4
545.23920	10.9
569.23853	6.7
587.25049	33.5
588.25751	5.7
619.28052	17.3
631.24365	34.6
635.33026	6.6
645.25525	5.7
653.34052	7.0
663.26819	100.0
664.27289	16.8
695.29169	44.9
696.30145	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	24.5
59.01248	40.8
69.49095	6.1
69.61826	23.5
69.62253	17.4
71.01237	26.5
73.02797	7.2
83.43988	4.8
85.02827	10.8
87.00729	5.8
89.02310	9.8
93.03339	10.7
94.02868	9.5
96.95899	8.1
99.04395	14.6
100.04761	5.8
101.02332	19.0
108.02088	5.8
108.04467	9.6
113.02330	9.2
122.06027	13.8
123.04459	6.1
124.03954	15.4
125.02336	6.9
132.04344	6.0
135.04468	9.5
136.01552	8.3
136.03949	9.5
138.05470	8.3
141.28130	5.4
144.04448	9.5
150.05495	8.2
151.03957	14.7
152.00987	6.0
157.83159	6.5
162.05534	9.5
163.03920	8.3
166.02597	8.0
170.04721	6.4
173.04578	7.0
177.01852	13.7
180.06541	6.0
181.04977	7.8
191.05540	25.8
203.05789	12.8
214.07346	6.0
219.54439	5.1
229.09872	14.5
233.08014	5.3
239.12047	7.2
243.11447	7.5
245.09216	8.1
249.10332	8.1
251.12016	7.7
257.09293	35.8
259.10974	32.8
260.11734	9.5
271.10959	29.4
275.10352	27.7
276.88641	5.0
278.10498	6.5
279.11346	9.5
289.11932	20.2
290.12854	33.4
291.11603	6.9
293.09256	8.8
301.11908	6.1
307.10849	18.3
308.11664	19.7
319.13019	22.6
320.13449	6.5
325.11807	8.8
327.13593	7.8
334.11700	100.0
340.10559	9.9
343.13089	17.2
372.13718	7.6
383.07831	6.5
386.15216	7.2
387.14676	16.2
388.14993	13.3
389.15222	20.1
400.12726	8.8
413.13947	6.5
416.16299	8.9
418.17831	7.4
428.16153	6.6
430.17865	42.0
431.15005	9.6
446.17377	51.1
448.18906	32.0
478.20078	7.2
490.16922	7.4
492.17578	17.3
506.19086	7.7
522.18933	36.3
538.21802	16.7
587.24921	10.6
589.21881	6.3
613.23822	7.7
631.23920	19.7
662.26044	56.5
663.26648	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46059	2.2
59.01255	14.1
61.20386	2.3
61.98715	3.0
63.24363	2.3
65.03838	9.8
67.01751	4.8
70.10387	2.3
71.01240	2.5
71.57274	4.1
71.57622	2.5
76.38172	2.4
79.05412	5.1
83.92854	2.2
85.02767	2.3
91.01781	4.7
91.05434	3.5
93.03330	8.8
96.95914	4.5
105.03394	2.3
107.04910	7.7
108.02054	4.3
109.02837	46.1
121.02853	6.6
122.55094	2.5
123.04404	55.8
124.04702	2.9
135.00769	6.1
135.04401	14.9
137.02348	100.0
138.02605	5.1
145.02805	2.5
153.01854	6.2
157.06506	6.7
159.04405	9.7
161.02388	7.2
163.00256	3.7
165.05554	3.7
171.10173	2.7
171.28896	2.3
175.03853	4.0
175.07558	37.3
177.09210	3.5
185.06073	4.6
187.03937	8.6
193.08598	19.9
201.05460	8.5
211.03960	11.8
219.06621	4.5
225.05501	8.3
227.07104	21.3
229.05115	8.1
253.05006	5.9
262.06500	2.5
273.04071	32.1
279.03033	2.6
282.05234	3.0
293.08130	3.8
301.08694	5.3
303.10251	8.0
317.08179	6.9
319.09586	5.1
331.06052	5.1
345.07605	8.7
347.09247	28.5
363.08746	7.8
391.08234	55.0
392.08771	6.3
405.35242	3.4
413.13855	3.3
431.57709	3.0
435.09723	3.2
457.12903	5.8
473.12338	4.3
483.10910	9.8
501.11920	99.4
502.12476	16.5
539.16791	4.6
585.17413	3.5
677.20172	7.0
695.21240	34.5
696.21423	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81966	1.1
58.96037	1.0
59.01249	8.5
59.41131	1.0
59.92197	1.0
61.98675	1.2
65.03836	8.5
67.01748	4.5
71.01253	1.5
71.39796	1.0
71.44675	2.2
88.98650	3.0
89.02312	1.2
91.01752	4.1
91.05393	3.9
92.49307	1.2
93.03326	5.1
96.95865	1.3
108.02009	1.1
109.02846	35.2
109.03593	1.9
117.03385	1.1
119.04855	1.5
120.81131	1.0
121.02831	4.8
121.13585	1.0
133.02800	2.3
133.06487	1.4
135.00768	5.1
135.04420	19.9
136.04764	2.0
137.02347	100.0
138.02693	3.5
145.02878	2.7
149.06018	1.8
153.01816	7.5
157.06502	2.8
159.04440	10.4
161.02374	2.6
161.06020	1.7
163.00247	4.5
175.03929	1.5
175.07567	10.2
177.05467	4.9
183.04324	1.9
185.05954	4.8
187.03947	9.7
191.05525	2.0
201.05446	3.7
201.09023	1.5
209.05988	1.5
211.03952	5.9
223.07632	1.3
225.05557	1.7
227.03430	2.1
227.07066	3.3
229.05031	12.7
235.09698	1.8
237.05495	3.3
241.04993	3.5
251.07008	3.3
253.05193	1.4
253.08414	1.3
255.06612	1.7
273.04077	19.3
279.06711	1.5
286.09744	1.2
293.08093	3.1
303.10361	1.3
309.20621	1.6
317.08163	2.9
339.08499	1.5
347.09097	2.8
373.06818	1.3
391.08072	3.0
403.15231	1.5
427.11548	1.9
457.12827	1.8
475.14008	7.1
476.13895	1.6
478.72165	1.1
483.11142	1.4
501.11978	8.1
515.13641	3.1
523.17975	1.4
539.17114	3.1
567.16559	12.2
585.17731	7.2
615.20074	2.0
633.20996	1.4
649.20959	1.7
659.19159	1.6
677.20264	34.7
678.20709	7.3
695.21240	35.5
695.32623	2.5
696.21826	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.5
69.48936	1.0
69.49362	1.6
71.01253	1.2
77.23061	0.3
85.02824	5.2
87.00745	1.3
89.02332	0.4
93.03344	2.7
98.19781	0.4
101.02347	0.5
109.02832	0.6
111.04414	1.1
127.03906	1.4
133.02866	0.8
135.04431	2.7
138.05522	0.4
155.03362	0.5
161.02414	2.0
173.04495	2.8
179.03413	2.1
191.05544	100.0
192.05884	3.3
215.63272	0.3
217.07227	0.3
227.03442	0.5
255.02974	3.1
283.02487	3.9
284.03076	1.3
285.04034	4.3
353.08685	12.5
354.08722	0.6
446.08334	1.0
447.09451	0.5
489.10266	1.6
503.11591	0.3
651.15906	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.5
60.01585	0.9
61.98684	0.9
65.03836	6.2
67.01758	5.3
69.63377	6.8
75.35846	0.9
78.95812	0.9
91.01751	4.3
91.05386	3.2
93.03336	7.6
96.95877	1.0
98.19855	1.7
109.02837	32.9
112.04185	1.0
117.03336	1.1
121.02903	1.8
122.56069	0.8
123.04437	1.1
133.02856	1.8
133.06451	1.4
135.00764	7.3
135.04414	19.5
136.04765	1.1
137.02345	100.0
138.02663	3.5
143.04994	1.1
145.02847	2.3
147.04402	1.3
149.06042	1.6
153.01842	6.8
157.06430	2.3
159.04437	10.2
161.02332	2.3
161.06058	1.5
163.00252	4.8
173.05963	1.8
175.07533	6.6
177.05467	3.6
183.04477	1.3
185.02341	1.6
185.05962	4.0
187.03900	11.4
189.01860	1.2
191.05505	1.9
193.08542	1.9
199.07550	1.5
201.05486	3.5
201.09097	1.4
207.23901	0.9
209.11711	1.8
211.03928	6.5
221.73584	0.9
225.05325	1.5
227.03494	1.7
227.07054	2.2
229.05008	13.2
230.05338	1.2
235.09579	1.3
237.05544	3.1
241.05019	2.5
243.11935	0.9
246.00139	0.9
247.02132	1.4
251.07120	3.0
251.10706	1.0
255.02934	1.1
255.06624	1.8
256.38232	1.0
273.04028	19.4
274.04367	1.1
275.07269	1.1
279.06689	2.5
293.08105	2.9
295.09903	1.2
305.08023	1.1
309.20694	1.5
317.08038	1.8
319.09683	1.5
321.11105	2.1
323.05670	1.0
347.09158	2.4
363.51886	1.0
373.07062	1.6
385.13773	1.0
391.08115	3.7
427.11862	1.2
457.12704	2.7
459.10971	1.4
471.10608	1.2
475.14081	8.8
476.14569	1.2
501.11948	8.9
503.36319	1.0
505.16449	1.3
515.13593	3.2
519.13049	1.2
523.17627	1.1
539.16791	2.4
557.18335	1.3
567.16534	8.9
585.17676	7.3
586.17816	1.6
615.20325	2.9
633.21362	3.2
649.20978	1.0
659.19586	2.3
677.20245	33.4
678.20483	6.9
679.70966	1.0
695.21338	33.7
696.21625	5.9
720.87445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84788	0.9
63.02269	2.2
65.00194	1.4
69.50337	3.4
69.50767	4.5
70.19161	1.0
80.80208	1.0
83.01263	2.2
89.31092	0.9
91.74086	0.9
93.03331	1.0
98.19797	1.7
107.01250	5.4
113.02443	1.1
135.04414	2.5
151.00278	13.6
163.00261	1.7
164.01080	1.4
169.01311	2.5
173.04372	1.0
191.05516	2.9
227.03448	6.9
229.05055	4.5
241.04984	1.9
255.02954	16.5
256.03528	1.8
257.04532	7.3
283.62320	1.0
284.03265	26.5
285.04044	100.0
286.04388	8.8
327.05173	2.9
357.32336	0.9
438.65601	0.9
447.09314	11.2
448.09500	1.1
489.10385	23.3
490.10962	2.7
606.26093	1.0
619.61224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1463
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.54996	0.6
69.71011	2.3
69.71424	1.6
83.01221	0.6
93.03325	1.0
99.23807	0.6
107.01277	0.8
117.03371	0.7
117.45347	0.7
143.79999	0.6
151.00278	2.6
159.04372	0.9
171.04445	1.1
173.02393	0.9
173.05978	0.8
183.04436	5.0
211.03879	3.5
213.05362	0.8
227.03441	17.1
228.03799	0.9
229.05043	1.1
239.03423	0.7
241.04985	0.7
253.29274	0.7
255.02966	66.6
256.03458	5.7
257.04352	0.8
267.03043	0.7
269.04626	0.9
281.04410	0.7
283.02472	100.0
284.03110	21.8
285.04037	83.3
286.04401	6.9
297.03885	1.3
298.04526	1.2
326.04272	1.0
327.05066	4.1
328.05728	0.8
446.08505	16.7
447.09225	14.6
489.10352	40.2
490.10818	4.1
531.11517	5.4
651.15662	44.8
652.16113	6.5
658.84473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74407	1.2
69.27608	8.8
69.28026	1.4
79.32172	0.9
108.02087	0.8
113.66454	1.0
125.08669	0.9
126.66625	0.8
151.00232	2.5
170.92163	0.8
178.99736	2.8
191.05585	0.9
199.03862	1.6
226.07582	0.9
227.03436	2.9
243.02989	8.0
254.02150	1.6
255.02954	21.0
256.03336	1.0
271.02472	45.3
272.02954	5.5
281.20016	0.9
299.01971	2.3
300.02744	100.0
301.03217	9.9
521.21851	0.9
609.14026	2.0
651.15607	46.7
652.16077	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67033	1.7
57.03328	3.1
58.02849	1.8
59.01253	47.5
67.01744	1.9
67.71433	1.7
69.88347	7.1
71.01257	58.1
72.10164	1.6
72.99195	6.0
73.02831	4.7
83.01254	2.6
84.98560	1.9
85.02825	42.2
87.00759	4.1
89.02316	39.2
92.03905	1.8
93.03336	5.3
95.01269	17.4
96.95903	6.0
97.02830	2.0
99.00784	3.1
101.02317	21.5
109.02843	4.5
113.02327	100.0
119.03407	14.2
131.03406	2.3
133.02847	4.2
135.04430	7.4
137.02325	2.6
143.03416	8.1
151.00287	1.9
151.03918	2.2
153.01851	2.2
161.02361	2.1
161.04474	37.4
163.03897	3.1
165.01828	5.0
171.04477	2.2
173.04518	9.3
174.04758	2.4
179.03427	3.8
179.05544	17.9
180.04198	3.1
181.04912	2.6
183.04378	3.9
187.03815	2.1
191.05539	27.3
192.05910	3.6
195.06572	4.2
227.03391	8.6
255.02985	34.8
256.03629	2.3
283.02466	66.3
284.03003	10.6
285.04044	76.6
286.04385	5.7
327.04968	4.7
333.94153	1.9
335.12390	5.9
446.08511	12.2
447.09317	19.9
489.10260	24.5
490.10739	2.4
515.24908	15.9
518.95612	1.8
588.22351	2.0
651.15540	28.2
652.16223	4.8
695.31897	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	12.9
61.98702	1.1
67.01765	1.7
69.03331	1.3
70.03611	4.2
71.01254	5.5
71.53883	0.7
73.02818	1.7
78.95801	1.0
80.41114	0.7
81.03317	1.0
83.01265	1.1
83.04904	1.2
85.02824	14.6
85.40361	0.7
87.00277	0.9
87.00761	5.0
87.67075	0.8
88.98686	2.2
89.02325	1.6
93.03335	9.2
95.01195	0.9
96.95901	2.3
98.20576	0.7
98.74955	0.7
101.02329	2.1
103.35599	0.8
108.02026	1.1
109.02855	7.7
111.04410	1.9
113.02337	1.9
113.54807	0.8
114.02684	0.8
118.51965	0.9
121.02800	1.3
122.03614	0.8
123.04512	0.8
125.02377	1.0
127.03949	1.8
134.03654	0.8
135.04404	8.4
136.04932	0.8
137.02364	3.0
146.03682	0.8
150.03090	0.9
153.01817	1.3
155.03490	0.9
159.04414	2.1
161.02350	4.5
161.04506	1.0
163.07547	2.2
167.03444	0.9
171.02959	1.2
171.10158	2.1
173.04495	4.8
173.05910	1.6
174.03122	1.8
175.03951	2.1
177.09166	0.8
179.03275	1.1
181.48897	0.8
183.04309	0.8
185.05946	1.1
187.07419	0.9
191.05545	100.0
192.05846	4.2
198.61955	0.8
200.04732	1.8
209.11745	1.0
213.05556	2.3
221.07973	0.8
225.05589	3.5
227.07066	2.3
243.06645	1.3
253.04935	1.1
269.11801	1.9
293.21161	1.6
294.21454	2.0
295.21609	1.2
297.11496	4.1
317.08002	1.1
320.10214	1.0
331.19070	1.3
343.06085	1.0
347.18533	2.1
349.20151	1.4
385.12921	1.3
389.21188	1.1
399.14209	1.2
425.23312	5.8
443.24268	3.7
451.21368	8.0
452.21625	1.1
469.22339	25.4
470.22690	3.6
515.13617	1.6
633.39508	1.4
651.39587	1.3
661.28546	6.0
693.31946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.4
62.16846	0.7
69.79416	4.2
71.01265	1.5
72.99172	0.6
73.02810	1.2
79.43759	0.6
85.02822	1.0
89.02293	1.1
89.37353	0.7
93.03324	1.1
96.95881	2.1
98.20457	1.0
101.02327	0.9
108.93932	0.6
109.02844	0.9
111.00774	1.4
111.04397	0.7
117.43937	0.6
118.97968	0.7
122.06010	0.6
135.04428	1.6
137.02274	0.9
138.91634	0.6
140.79008	0.7
147.04428	0.9
152.07080	0.8
161.04462	0.8
173.04433	1.2
179.03418	0.7
182.94968	0.6
191.05573	5.3
200.10741	0.8
204.94534	0.7
206.41144	0.8
213.06651	1.9
214.07344	2.4
224.02104	0.8
227.11803	2.6
228.09123	0.8
229.09752	7.4
231.11366	1.0
243.11369	11.0
244.08487	2.0
244.12131	5.1
245.09277	2.5
245.12277	0.9
255.11456	3.8
257.09311	29.1
258.09695	2.1
259.10895	11.7
260.11655	3.8
271.10837	1.5
272.11667	16.2
273.12274	2.7
275.10349	11.6
276.10666	0.7
287.10742	0.7
290.12714	11.1
295.10718	1.1
303.10031	1.0
316.10580	4.1
317.11078	1.0
331.12967	4.1
334.11703	7.5
339.05084	1.9
349.14041	100.0
350.14297	10.4
501.21448	1.1
504.17603	1.3
536.20490	1.6
585.23529	1.2
617.26526	3.4
661.24268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	19.4
71.01255	10.4
71.58264	1.9
71.58611	3.0
73.02811	5.7
77.03261	2.2
80.04922	6.9
81.03349	2.1
83.01286	2.0
83.04877	3.7
85.02819	13.1
87.00745	5.2
89.02309	4.4
93.03328	8.0
94.02869	19.2
94.06523	2.6
96.95885	8.5
101.02303	5.9
104.04966	2.3
106.06532	3.8
107.03693	2.6
108.02036	2.7
108.04419	4.3
109.02808	5.4
111.00774	9.8
113.02319	4.0
119.03395	3.2
121.02889	2.6
122.06014	22.9
133.02858	3.4
134.06006	9.5
135.04405	9.6
136.07553	4.1
137.02333	4.4
138.05498	4.2
146.06056	2.6
147.04410	4.2
148.03894	2.4
150.05449	3.0
152.07066	46.0
159.04317	3.4
160.03961	3.7
161.02299	5.1
161.04535	3.3
173.04478	6.8
173.05904	2.6
174.05510	4.4
175.03949	3.6
179.03468	2.2
180.06552	3.9
188.07137	16.3
191.05540	65.1
192.05971	3.6
202.46495	2.1
209.05945	2.4
225.10304	3.5
227.11769	7.5
229.01393	6.6
229.09695	2.8
244.21828	2.0
245.12993	3.5
249.10272	2.7
251.08253	3.5
251.11945	3.4
252.08954	2.9
253.05003	2.9
253.09843	10.7
257.09274	4.2
263.08295	4.0
265.09747	4.2
267.06689	2.8
267.11243	4.4
273.12265	4.5
277.09897	5.8
278.10403	3.3
279.07941	3.4
279.11288	4.9
291.07687	10.3
292.07806	2.7
293.09070	4.6
294.10104	4.8
295.06119	2.6
295.07144	2.5
295.10852	37.9
296.11389	4.9
305.09335	3.3
306.10110	10.8
307.10779	16.9
313.07150	2.6
317.11349	3.2
318.11691	2.6
319.12820	3.6
323.10446	3.6
329.10226	9.2
331.12857	4.4
335.12427	10.6
336.12875	11.3
337.12973	10.7
339.05032	16.8
339.09708	6.9
340.05402	3.3
345.48868	2.2
347.11227	2.1
349.14136	6.2
350.09103	16.5
356.13266	2.6
390.14398	2.6
398.06750	2.1
418.17603	3.5
430.14117	3.2
432.19165	3.0
439.20956	3.8
445.16699	3.2
446.16989	3.0
457.22256	6.8
460.18802	43.5
461.18954	3.8
465.19220	6.0
476.18073	4.8
483.20343	6.4
490.15900	3.1
501.14694	2.3
501.21243	15.6
504.17752	100.0
505.18375	18.0
521.17627	3.8
536.20374	65.6
537.21014	10.0
585.23834	4.9
617.26422	5.2
643.23999	2.7
661.25110	20.3
662.25342	3.9
675.26477	4.5
693.27582	13.0
693.49268	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11088	2.9
54.81469	3.0
59.01235	3.3
79.40491	3.6
94.17572	3.0
95.08749	3.6
96.95903	25.7
98.95491	14.6
98.96207	2.9
109.84940	2.9
110.83781	2.8
122.06023	9.5
129.39088	3.7
174.05396	2.9
191.05548	10.4
204.06552	5.7
215.00345	3.0
220.52525	2.8
225.06763	4.4
230.56686	3.4
238.07431	5.7
239.08228	9.9
253.09776	13.1
266.06995	6.0
267.07727	12.6
267.11246	9.2
268.08572	6.0
279.07706	7.9
280.08575	10.9
281.09247	19.4
282.10001	4.6
283.10938	12.8
284.07996	3.8
284.11176	3.7
285.03986	3.9
295.10876	52.0
296.11545	11.6
297.12265	4.7
298.09442	7.4
299.10272	4.9
311.10468	15.5
312.11182	5.4
313.11877	12.7
320.10345	3.4
327.09943	6.7
327.13480	4.6
339.09894	5.1
341.11365	7.8
346.15805	4.9
348.13483	7.7
351.12103	9.9
360.10123	3.7
362.15189	7.8
372.13519	6.1
376.16840	7.3
378.14612	4.8
388.12955	5.7
390.14590	22.4
392.12439	9.4
402.14679	8.5
404.16248	18.0
405.16602	4.7
406.13901	25.8
407.14465	14.9
418.17725	4.0
420.15750	31.5
421.16205	5.3
422.17526	4.4
424.14923	4.9
434.17737	7.2
435.18048	18.4
438.16614	11.6
448.15054	5.6
464.14554	10.7
478.16022	4.9
479.17133	29.2
480.17981	8.6
496.17297	10.0
510.18442	7.1
511.19595	89.2
512.20154	26.1
543.18781	4.5
557.24622	4.5
574.37726	4.3
596.56885	3.3
599.25061	13.0
601.22784	9.2
633.25513	13.5
643.23944	45.1
644.24518	8.6
653.62653	3.6
657.25287	4.7
661.25122	34.7
662.25183	4.2
675.26624	100.0
676.27051	24.6
693.27753	49.6
694.27954	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	64.0
58.79987	0.8
59.01255	5.1
61.39728	0.8
69.33241	1.8
69.33644	8.2
71.01257	2.1
73.02835	1.1
81.03316	1.8
85.02813	1.2
87.00731	1.3
93.03368	1.6
96.95857	1.6
99.04397	23.8
100.04724	1.1
101.02329	13.7
109.02824	2.2
113.02327	1.1
115.00234	0.9
121.02855	2.4
122.06033	1.5
125.02338	13.1
135.04401	3.1
136.00514	1.7
136.01558	30.0
137.02390	5.6
143.03444	0.9
148.03969	1.0
149.02332	1.0
151.00275	4.8
151.03906	36.8
152.00981	0.9
152.04582	1.5
160.05243	1.0
161.02428	1.1
161.04364	1.3
161.05875	1.3
163.03972	1.3
166.02626	18.7
167.03242	1.3
173.04507	2.1
175.02438	1.5
175.03831	0.9
176.91760	0.9
177.01817	0.9
177.05460	1.4
181.04993	29.0
188.09109	0.8
189.05612	1.1
191.05547	4.3
257.09274	2.6
272.11627	1.3
295.10977	1.3
305.08768	1.0
335.12384	0.9
339.08603	0.8
349.14023	7.4
357.09723	9.0
357.13531	1.3
372.12198	7.6
387.14499	100.0
388.14957	8.7
531.18719	1.0
606.11560	1.0
619.24200	1.9
643.24585	1.1
661.25201	1.1
693.26263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21098	1.5
57.03317	1.9
59.01250	8.8
67.01773	3.5
71.01255	6.5
73.02820	2.1
85.02824	3.8
87.00748	3.3
89.02309	3.1
93.03334	17.7
96.95892	4.0
101.02342	3.6
108.04411	2.2
109.02827	8.4
111.00744	4.0
113.02383	3.6
121.02805	1.7
122.06007	5.8
122.24957	1.8
133.02835	7.2
135.04425	7.9
136.07524	3.6
137.02347	6.0
147.04396	3.5
152.07072	2.4
155.03334	2.0
162.05499	2.3
167.89194	1.6
168.08165	1.7
172.04044	1.8
173.04475	28.7
175.03873	2.8
177.01767	3.1
179.03415	5.7
190.05013	3.8
191.05565	26.3
193.05057	2.2
204.06487	1.7
213.06471	1.6
214.07199	2.7
219.03003	3.3
225.06612	1.6
227.11813	3.4
228.08919	2.5
229.01413	4.8
229.09715	7.7
229.26051	2.1
239.03522	2.1
239.08165	1.8
243.11372	15.7
244.08710	2.1
244.12067	7.7
245.09338	4.0
249.05627	2.4
251.11963	1.8
253.09822	7.8
255.11403	4.7
257.09317	30.6
258.09448	2.6
259.10931	15.5
260.11618	4.1
265.09534	2.0
266.06833	2.6
267.06888	5.8
267.11169	3.0
272.11710	19.8
273.12280	3.5
275.10376	18.9
277.05045	4.6
280.08517	2.5
281.04492	5.9
281.09314	9.5
281.11966	1.9
283.10712	8.5
290.12692	16.0
295.06042	4.3
295.10880	16.4
296.11505	3.4
298.09576	2.9
311.10391	7.9
312.11069	2.4
313.11914	6.6
316.10587	7.2
328.10483	2.1
331.12943	4.9
334.11560	8.9
339.05063	17.5
339.08899	4.9
340.05533	3.0
341.11310	2.4
343.12888	3.7
349.14026	100.0
350.14511	9.4
360.17120	1.9
372.13443	2.4
374.11472	2.0
376.17102	2.1
388.12845	2.0
390.14648	4.9
402.14819	2.4
404.16223	5.9
406.14044	5.4
407.14542	2.7
416.16568	2.6
420.16043	8.3
434.17352	3.6
435.17667	4.6
438.16766	1.9
475.10248	6.2
479.16934	13.4
480.17737	4.5
510.18665	2.5
511.19455	20.7
512.20294	4.5
557.23700	3.7
585.23389	2.9
599.25348	9.0
601.22870	6.3
602.24231	2.1
617.26044	4.5
633.25513	3.8
643.24091	25.4
644.24347	3.0
657.25244	2.1
661.25214	13.1
675.26752	16.7
676.26758	3.6
693.28387	13.3
694.28131	2.1
718.98767	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	100.0
58.03654	2.0
59.01252	12.9
71.01243	5.7
71.58453	1.3
73.02808	2.8
74.81298	0.8
81.03333	3.4
83.04900	0.9
85.02824	2.5
87.00786	1.3
89.02316	2.1
93.03340	2.9
96.95900	4.5
99.04395	44.7
100.04708	1.0
101.02322	16.3
108.02081	1.0
109.02842	3.5
111.04392	0.9
113.02331	2.3
113.20178	1.0
121.02834	1.7
122.06013	2.9
123.00713	1.3
125.02324	16.1
133.02818	1.0
135.04402	3.6
136.07510	0.9
137.02328	7.4
139.03937	1.4
151.00253	7.0
151.03986	1.7
152.00967	2.0
152.07066	1.3
153.01811	1.2
155.03459	0.8
161.02351	1.2
161.04608	1.2
163.03833	1.5
166.02628	30.8
167.03154	1.9
173.04417	4.1
175.03888	1.2
175.07561	1.0
176.67230	0.9
177.01848	2.7
179.03394	1.5
181.04984	43.6
191.05557	13.6
205.08565	1.0
230.14816	0.9
234.36668	1.0
275.07755	2.9
280.11087	1.0
285.04007	1.0
309.11618	1.2
314.07953	0.9
336.12961	1.1
378.14566	1.0
380.16080	1.0
387.10931	8.3
402.13007	5.7
403.14249	1.5
417.15536	71.6
418.15997	7.3
427.10031	1.7
505.39172	0.9
531.18903	2.1
531.26678	1.0
617.25128	0.9
661.24646	1.7
675.25024	1.1
693.27710	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
68.83512	0.2
69.50803	1.9
71.01237	0.6
77.73183	0.2
85.02809	0.5
89.02293	0.3
93.03327	0.7
96.95889	0.9
101.02319	0.4
109.02882	0.5
109.06461	1.9
113.02281	0.3
121.02822	0.2
121.96684	0.2
124.33295	0.2
133.02853	0.7
135.04428	0.9
139.47234	0.2
149.71375	0.3
157.02831	0.6
173.04491	0.6
177.01828	0.8
179.03429	0.6
183.13295	0.2
185.14270	0.2
191.05554	3.0
197.06006	0.5
199.03922	0.8
212.04724	0.6
225.05516	3.3
226.06305	9.1
227.06664	0.6
239.03464	0.3
240.04167	0.5
241.05006	0.9
253.05045	3.6
254.05821	10.9
255.06158	0.8
265.05072	0.6
265.12332	0.5
266.05814	0.3
268.21500	0.2
281.04507	0.3
286.04889	1.7
309.11319	100.0
310.11652	8.7
350.67047	0.3
351.07181	1.1
471.16617	7.9
472.16858	0.8
623.23743	0.2
693.25092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59214	0.6
59.01251	3.0
60.99142	0.7
67.01778	3.4
69.43992	4.7
69.44408	1.1
71.01245	4.3
76.62893	0.8
83.01273	0.7
85.02815	3.6
87.00764	0.9
89.02332	0.8
93.03344	23.7
94.03697	1.1
95.04931	1.1
96.95905	4.3
98.20569	1.4
105.03349	5.0
109.02843	2.4
111.04416	3.8
121.02785	1.0
123.04395	3.2
127.03912	1.5
133.02859	33.2
135.04422	23.5
135.05447	1.3
137.02335	4.7
145.02841	1.3
147.04387	1.3
149.02330	1.0
150.03127	2.4
151.03929	2.1
151.69151	0.8
155.03394	3.6
159.02773	0.7
161.02345	1.9
173.04477	100.0
174.04849	4.2
177.01854	18.6
178.02399	0.7
179.03435	7.6
180.04138	0.9
184.91553	0.6
191.05550	33.9
192.05907	1.4
195.02953	1.4
215.05424	0.8
241.04953	1.6
256.40134	0.7
269.08136	3.7
285.04080	2.9
295.06259	1.1
307.08301	2.9
313.07297	3.4
335.07764	0.7
351.07208	27.3
352.07712	2.2
353.08765	7.2
401.28735	0.7
447.09271	2.1
475.12311	1.6
621.14905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.4
59.01250	22.8
61.01962	1.9
69.24686	22.1
71.01262	28.6
72.99182	12.6
73.02835	11.6
75.00759	7.9
78.95798	3.2
83.01266	4.3
85.02824	58.4
87.00780	10.6
88.98526	1.9
89.02338	8.7
95.01280	16.1
97.02854	3.9
99.00762	10.1
101.02335	7.6
103.00269	3.2
103.03936	2.8
113.02336	100.0
115.00240	2.2
117.01837	2.2
129.01840	10.4
131.03392	7.5
139.00298	2.4
143.03407	2.6
157.01277	3.2
161.04514	3.4
175.02405	24.0
193.03566	3.3
217.03491	4.4
235.04549	32.7
286.66803	2.0
307.60925	2.0
337.07751	9.4
355.08716	3.8
397.10022	10.0
499.12958	4.0
602.17816	2.6
693.17291	50.6
694.17749	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.3
61.18069	0.7
67.01787	0.7
71.01254	2.2
71.37037	0.9
77.03824	1.3
85.02821	3.7
87.00757	1.9
89.03834	1.2
93.03355	7.5
95.04897	3.7
96.95907	1.2
96.96869	0.6
97.42210	0.7
101.02290	0.8
105.03344	15.7
107.04964	0.8
109.02821	4.0
111.04434	3.6
121.02847	2.2
123.04426	5.2
132.02077	0.8
133.02847	100.0
134.03076	3.7
135.04411	32.1
136.04742	0.8
137.02336	2.1
145.02896	1.6
147.04401	1.7
149.02310	1.0
150.03119	0.7
151.03926	1.6
155.03395	2.1
159.04431	1.5
161.02361	1.4
169.06537	1.4
170.56918	0.7
173.04478	24.1
173.05971	1.3
173.20761	0.6
174.04808	1.2
177.01849	52.6
178.02235	1.9
179.03426	8.6
191.05544	24.0
192.05814	0.8
213.05530	1.6
215.03506	0.8
229.01512	1.0
235.06090	0.9
241.04997	4.7
251.07062	0.8
257.04599	1.9
267.06595	1.4
269.08130	6.2
283.02341	1.2
285.04068	11.6
291.98337	0.6
295.06152	2.9
307.08163	0.8
313.07208	4.6
335.07648	0.8
339.05115	2.3
351.07184	31.9
352.07550	2.7
353.08688	4.4
447.09201	2.2
475.12460	2.2
501.10516	2.7
621.14471	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88140	0.4
57.03323	0.5
58.85839	0.3
59.01252	2.8
67.01752	0.7
68.66539	0.3
71.01242	2.2
71.58112	0.5
72.99162	0.5
73.02810	0.4
73.05737	0.3
76.38564	0.4
78.14937	0.4
83.04884	0.5
85.02823	7.1
87.00745	1.9
91.67090	0.3
93.03340	5.8
95.04913	0.6
96.95874	1.0
99.04371	0.4
101.02316	0.8
101.08813	0.4
105.03368	1.0
109.02837	1.1
111.04387	1.5
113.02270	0.4
120.95745	0.3
127.03906	1.6
133.02853	7.4
135.04417	9.0
137.02299	0.6
151.03891	0.6
155.72418	0.4
160.01511	0.5
161.02364	2.5
161.04437	0.6
171.02969	0.8
173.04442	5.2
177.01866	3.1
179.03494	3.6
179.05032	0.6
179.26573	0.3
180.03830	0.6
191.05536	100.0
192.05856	4.1
192.41881	0.4
196.96846	0.5
198.37231	0.4
202.03430	0.4
215.05644	1.0
220.01634	0.3
245.09232	1.0
269.10257	0.7
284.06793	0.5
285.04498	0.4
295.05936	0.6
335.12857	0.4
337.09354	0.4
351.07208	4.9
352.07675	0.6
353.08768	14.4
354.09247	1.1
379.10522	0.6
382.31448	0.4
395.09833	1.7
408.86179	0.4
693.16339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87841	0.5
57.03326	1.0
59.01244	1.6
60.99182	1.1
67.01763	4.8
67.44661	0.5
69.03324	1.0
71.01262	3.6
71.06664	1.3
75.90517	0.5
81.03341	1.1
83.04899	1.4
85.02821	6.5
87.00755	2.4
89.03825	0.8
93.03338	28.5
94.03686	1.0
95.01297	0.5
105.03336	1.5
105.24168	0.5
107.04939	0.9
109.02844	3.1
111.00758	1.1
111.04408	5.3
117.58479	0.5
123.04403	0.8
127.03883	2.4
127.04788	0.5
129.33270	0.5
133.02859	12.7
134.03654	3.6
135.04416	66.4
136.04744	2.3
137.02341	4.2
150.03189	0.6
155.03398	4.2
161.02365	3.0
173.04478	100.0
174.04843	3.1
174.15796	0.4
177.01848	16.5
178.02330	1.0
179.03421	59.6
180.03815	2.2
191.05542	57.3
192.05917	1.6
195.73878	0.4
205.24498	0.5
215.05609	3.7
241.58716	0.5
269.08252	0.5
285.03986	0.8
289.80978	0.4
307.08298	0.7
313.07062	0.6
339.07376	3.5
339.10690	0.7
351.07178	12.7
352.07626	1.1
353.08755	75.4
354.09149	5.2
448.57028	0.5
459.09076	1.2
493.96390	0.5
533.88763	0.5
621.14764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
59.01252	0.5
67.01760	0.4
69.87811	1.5
70.82699	0.3
71.01260	0.5
73.02828	0.3
81.03316	0.3
83.04933	0.3
85.02827	4.9
87.00762	1.1
93.03341	3.3
99.04403	0.3
105.03349	0.9
109.02824	0.5
111.04414	0.8
114.90509	0.4
127.03893	1.2
128.40038	0.3
133.02850	3.1
135.04407	2.1
137.02284	0.4
161.02351	1.5
173.04440	1.5
177.01855	17.4
178.02209	0.8
179.03413	0.9
191.05540	100.0
192.05843	2.6
206.66728	0.3
215.05536	0.3
339.07187	2.4
351.07181	1.3
353.08771	10.6
354.09027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32610	0.6
54.64397	0.7
59.01249	2.9
60.90269	0.7
60.99167	2.7
67.01760	4.4
69.03324	1.8
69.69353	5.1
71.01246	4.6
80.42598	0.7
81.03334	1.1
83.04887	1.7
85.02822	9.2
85.51556	0.6
87.00745	10.2
93.03338	40.0
95.04907	1.6
99.00733	0.8
99.04396	1.0
101.02327	0.8
105.03336	6.1
107.04933	2.0
109.02843	10.0
111.04402	8.1
113.02341	1.0
121.02792	1.0
123.04385	3.6
124.01527	0.7
127.03899	2.1
129.01828	0.7
133.02852	53.6
134.03560	1.2
135.04414	50.8
136.04738	1.3
137.02357	1.7
149.02327	1.0
150.03137	1.3
151.03918	2.4
155.03397	2.4
159.11827	0.7
161.02408	3.2
161.04478	0.8
171.02863	1.3
172.51546	0.7
173.04466	28.4
174.04829	1.3
177.01854	19.0
178.02296	1.0
179.03433	8.6
187.03773	0.8
191.05542	100.0
192.05888	3.3
213.05597	1.0
215.05548	28.3
229.24158	0.7
235.06104	1.2
241.05002	1.3
257.04218	0.8
267.06653	1.2
269.08035	1.1
277.05203	0.8
285.04044	4.6
293.04547	0.8
295.06082	6.9
307.08054	3.6
313.07211	2.2
339.04831	1.4
341.08884	1.3
351.07227	85.7
352.07526	6.3
353.08829	6.7
395.10193	1.0
413.41025	0.7
434.85278	0.7
457.11398	2.0
458.21478	0.7
459.09293	6.2
487.12503	2.9
501.10529	1.9
621.14575	7.9
622.14398	1.4
649.18097	1.7
693.16730	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13109	2.7
54.50934	2.2
55.03998	2.6
71.20686	6.9
71.78812	2.7
77.66884	2.3
78.95779	83.4
93.12538	2.7
96.96838	10.6
152.99500	54.4
233.22610	2.8
277.21729	100.0
278.22058	8.2
336.64813	2.5
413.20993	37.2
431.21967	18.0
500.50290	2.8
578.54999	2.8
625.18964	3.1
691.43353	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
57.03307	2.6
58.00447	2.7
58.85705	0.6
59.01252	56.1
67.01736	0.8
68.76422	0.6
69.03324	2.9
70.06411	2.3
71.01256	46.8
71.04893	4.5
72.99174	3.0
73.02818	8.4
75.00732	1.1
81.03326	2.2
83.01247	4.9
83.04909	1.1
85.02821	11.1
85.99952	1.4
87.00744	11.5
87.04366	0.6
89.02316	37.1
90.02634	0.7
91.03883	1.4
93.03321	2.1
95.01270	3.8
97.02252	0.8
97.02837	7.8
99.00752	2.9
99.04341	1.0
101.02325	35.9
102.02621	0.9
103.03918	0.8
103.50550	0.6
109.02837	1.3
111.00788	1.3
111.04392	1.9
113.02332	17.9
115.03905	0.9
119.03396	13.7
119.04729	0.8
121.02839	1.7
123.00773	0.9
123.04385	1.2
124.01551	0.6
125.02334	13.8
127.44169	0.8
131.03391	2.0
133.04942	1.6
135.04413	1.7
137.02348	1.0
143.03391	6.8
149.04445	1.5
152.99449	1.0
158.26942	0.6
161.02362	1.0
161.04472	9.2
167.03400	1.6
170.08340	0.8
171.10229	0.7
173.04465	2.0
179.03259	0.8
179.03990	0.9
179.05531	9.8
181.12340	0.7
185.04402	1.0
191.05536	6.4
199.06139	0.7
201.11182	0.6
203.05492	0.8
207.10049	1.4
209.15413	1.4
217.07132	1.6
219.17325	0.9
221.06499	3.2
223.17038	2.6
225.11247	0.8
231.21176	0.9
235.08179	15.5
235.17001	24.9
236.08543	0.9
236.17201	1.6
245.06474	0.8
253.09303	5.3
261.88358	0.7
263.07672	1.4
275.20157	27.9
276.20328	2.4
277.09354	1.4
287.07773	2.8
291.19647	1.9
292.19940	1.3
293.21222	100.0
294.21594	9.2
305.08939	3.6
305.11923	0.7
323.09616	1.7
379.12445	1.2
397.13501	80.8
398.13776	6.7
399.14066	1.2
415.14551	47.5
416.14731	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06907	0.7
52.73467	0.6
55.01750	2.4
57.03313	2.1
58.00475	2.8
59.01252	52.7
59.97193	0.6
61.98706	1.0
67.01778	0.9
69.03329	2.6
69.39577	0.6
70.54535	1.5
70.54890	1.2
71.01258	43.4
71.04881	0.8
72.99172	3.1
73.02824	7.2
75.00745	1.1
78.95795	0.8
81.03325	2.2
83.01266	5.8
83.04909	1.1
85.02827	10.5
87.00750	10.6
89.02324	33.9
91.03873	0.9
93.03319	3.3
95.01271	2.9
97.02827	7.7
99.00768	2.4
99.04359	1.1
101.02328	35.2
109.02847	1.4
109.06488	4.1
111.00784	1.0
111.04400	1.9
113.02341	16.2
113.09607	2.4
119.03400	12.9
121.02856	1.3
121.10119	5.5
123.04314	0.8
124.01544	0.9
125.02343	12.2
127.03883	1.5
131.03403	3.1
133.04944	1.1
135.04430	1.4
135.08080	0.9
139.04010	1.5
143.03421	6.4
152.61032	0.6
155.10683	1.1
161.04485	7.8
163.11224	2.0
167.03441	0.9
171.10190	13.4
173.04474	3.2
179.05566	6.5
181.12152	0.7
181.98186	0.6
183.13844	6.4
185.04460	0.8
185.11734	0.8
191.05551	9.5
195.13852	3.1
197.11710	0.7
207.10228	5.9
211.13368	2.6
221.06641	2.5
223.13312	2.1
225.11298	2.6
231.21109	1.4
235.08194	13.3
235.17043	2.1
253.09283	5.3
263.07648	1.3
265.21637	0.8
275.20181	22.0
276.20547	2.1
277.09329	0.7
287.07660	2.7
293.21240	100.0
294.21548	9.4
305.08862	3.2
321.03897	1.2
323.09781	2.4
328.48413	0.8
397.13525	70.3
398.13895	6.5
415.14600	37.1
416.14890	2.7
473.23465	1.8
505.08139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64652	0.8
57.03316	0.8
59.01254	22.9
69.03341	1.0
71.01260	15.8
71.07116	1.4
72.99216	1.0
73.02834	3.2
78.95773	1.0
83.01284	2.1
85.02811	5.1
87.00766	3.0
89.02327	13.3
91.58810	0.8
95.01275	1.0
96.95885	1.3
97.02827	2.8
99.00773	1.3
101.02327	11.3
111.04441	1.0
111.08130	1.0
113.02323	5.8
119.03384	3.9
121.02847	1.1
123.00811	0.9
125.02335	4.4
143.03391	1.9
150.03168	0.7
161.04497	2.7
167.90471	0.7
171.10175	2.5
173.04488	1.2
173.06056	1.0
179.05515	2.9
191.05482	3.8
195.13817	6.5
196.14612	1.0
201.05534	1.2
219.06609	0.8
223.13345	6.9
235.08162	3.5
253.09229	1.1
256.13147	0.9
275.20178	6.2
291.19693	1.7
293.21234	100.0
294.21521	8.6
321.75739	0.9
347.50015	0.9
397.13504	24.0
398.13733	2.8
399.13934	0.8
415.09012	1.5
415.14569	26.9
416.14731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.0
57.03329	1.6
58.00444	2.4
58.29202	1.2
59.01254	52.7
61.98691	1.8
66.17043	1.2
69.03335	1.6
69.67937	1.2
71.01256	35.0
71.04884	2.2
72.99175	3.2
73.02828	7.0
75.00721	1.4
78.95774	1.8
81.03320	1.9
83.01261	3.2
83.04876	1.3
85.02840	7.1
87.00755	8.1
89.02325	28.4
90.86365	1.3
93.03332	5.0
94.62796	1.2
95.01241	2.1
96.95914	8.8
97.02816	3.4
99.00755	2.3
101.02319	28.5
109.02838	3.8
111.00697	1.5
111.04361	1.8
113.02339	14.6
119.03404	10.8
123.00809	1.3
123.04457	1.9
125.02316	9.1
135.04446	5.9
137.02290	1.6
138.42421	1.7
139.03877	1.3
143.03392	5.7
149.04485	1.4
151.03885	1.7
157.08612	1.8
161.02330	2.6
161.04433	6.1
171.10124	2.3
173.04482	6.4
177.01778	1.9
179.03363	2.0
179.05518	5.6
183.10182	1.4
191.05542	18.8
206.29147	1.2
209.15353	1.3
211.13353	2.5
221.06616	2.2
235.08215	9.7
235.17010	34.0
236.17459	2.6
253.09154	3.4
263.07516	1.8
275.20148	50.6
276.20428	3.4
287.07806	2.0
293.21231	100.0
294.21613	9.0
305.08746	2.6
323.09775	1.5
335.12259	1.5
351.07278	1.9
397.13501	59.6
398.13785	5.0
415.14526	41.7
416.14664	1.7
499.23309	1.4
537.86780	1.3
637.32050	2.3
691.31439	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11544	0.3
57.03317	0.8
58.00447	0.6
59.01252	18.2
62.75629	0.3
69.03304	0.7
70.11210	2.0
71.01255	13.0
72.99164	1.0
73.02813	2.0
81.03336	0.7
83.01286	0.9
85.02830	2.6
87.00749	1.8
89.02320	10.8
94.06291	0.4
95.01279	0.9
97.02824	1.8
99.00748	0.8
101.02322	9.5
113.02334	5.4
119.03395	2.8
123.90325	0.4
125.02333	3.5
131.03310	0.4
135.90112	0.4
142.80649	0.3
143.03403	2.0
161.04453	2.0
166.23520	0.5
179.05586	2.5
179.14359	0.8
181.82858	0.3
183.10217	0.6
191.05524	0.4
195.13829	7.4
196.14444	0.6
205.12358	0.6
221.06560	0.8
223.13365	5.3
224.13658	0.6
228.13538	0.5
235.08200	3.5
253.09256	1.1
256.13083	1.0
275.20117	3.6
287.07608	0.8
293.21228	100.0
294.21573	7.5
305.08704	0.8
323.09738	0.6
397.13504	18.8
398.13736	1.2
415.14566	22.0
416.14871	1.7
691.34259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12582	0.3
52.53392	0.3
59.01256	2.9
65.99718	0.4
69.33804	3.2
71.01263	0.5
72.55146	0.3
82.02851	0.4
83.04897	1.1
85.02829	0.5
91.05524	0.4
93.03326	0.4
94.02868	3.2
98.02357	0.4
107.03561	0.3
108.04450	2.7
109.02893	0.3
113.02334	0.3
115.06468	0.3
120.04414	1.0
121.05221	0.3
122.06013	11.3
124.03931	1.1
124.07577	0.3
132.04466	0.9
134.06032	1.8
135.06786	0.8
136.03952	4.7
136.06529	0.6
136.07584	11.1
137.04727	0.5
137.07933	0.4
138.05495	2.7
146.05991	0.6
147.05614	0.3
148.03951	0.6
148.07619	0.3
150.05516	10.5
152.07069	3.1
158.02390	0.4
158.06082	0.4
159.11751	0.5
163.08684	0.7
164.07132	0.3
169.10132	0.4
170.24393	0.3
171.06747	0.4
172.07532	0.6
173.04362	0.3
174.09164	0.9
176.03461	1.0
185.09642	0.5
186.04277	1.0
186.09186	4.2
187.11263	0.4
190.04999	1.1
191.05533	1.3
200.05739	0.4
200.10724	0.5
201.06468	3.0
201.08275	0.5
202.07094	2.1
202.08772	1.2
202.12325	1.9
203.08215	0.3
212.10791	1.9
213.06544	0.7
214.07410	1.2
215.08160	3.1
216.08907	0.7
226.07545	0.4
227.11800	0.4
227.34895	0.4
228.10353	3.2
229.09778	16.4
230.11937	10.1
231.11478	1.0
239.08162	0.6
240.08989	1.1
241.09727	0.6
243.07669	0.4
243.11278	0.5
244.08481	1.1
245.09309	5.4
245.12900	1.3
253.04941	0.5
255.11382	4.7
257.09317	7.5
258.10074	2.1
259.10791	1.2
263.10428	0.4
273.12460	22.7
274.10403	0.5
274.12912	1.1
275.10339	1.7
290.12613	0.4
299.10361	0.7
307.09790	0.8
317.11417	19.8
318.11719	1.5
325.10788	0.6
334.11707	1.1
335.12482	100.0
336.12808	6.9
355.12918	2.2
473.49738	0.4
599.21680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.1
65.03835	1.6
71.01273	3.0
71.14111	0.6
71.14433	1.0
73.02788	0.9
79.05401	0.7
85.02840	1.7
87.00771	1.2
89.02332	1.4
91.05410	9.0
93.03330	3.9
94.02886	0.6
96.95888	2.2
101.02319	2.1
107.04925	2.6
108.02079	2.1
108.25113	0.6
109.02844	9.6
109.06476	2.1
111.04366	0.6
113.02331	0.7
119.03298	0.6
119.04906	1.2
121.02850	33.8
122.03677	1.3
122.06043	1.4
123.04402	0.6
125.02322	2.0
133.02866	1.2
134.03642	10.7
135.04420	88.2
136.04781	2.7
137.02357	0.8
147.04430	16.4
148.05240	5.2
152.07088	1.0
159.04411	3.0
159.11736	1.2
161.05951	0.6
163.03970	0.8
166.02577	1.0
169.32504	0.6
173.04478	1.4
173.06013	1.5
174.06786	0.7
177.05515	0.6
177.09138	16.1
178.09444	0.9
179.03529	0.6
187.07603	0.6
189.09152	46.3
190.09521	2.7
191.05537	6.1
201.05527	0.6
203.10718	100.0
204.11061	5.1
209.11737	1.1
215.10724	7.8
253.09633	1.1
257.12967	0.7
279.08655	1.0
285.03818	0.6
300.02408	0.8
325.14453	69.6
326.14832	6.1
335.12375	0.9
393.10019	1.0
469.18826	15.0
470.18655	1.2
487.19797	21.0
488.20157	2.3
517.29907	0.5
529.20831	41.2
530.21027	5.4
647.12677	0.6
654.44885	0.7
659.26990	0.9
691.25250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64584	0.3
55.68941	0.3
59.01044	0.3
59.01258	3.4
69.49654	2.6
71.01250	1.0
80.68761	0.3
82.02861	0.3
83.01251	0.4
83.04890	0.4
85.02811	0.4
89.02267	0.4
94.02860	2.4
96.95906	0.8
98.02339	0.4
98.19662	0.3
99.43646	0.3
101.02325	0.8
108.04432	2.6
109.02843	0.7
112.23930	0.4
113.02340	0.5
119.04856	0.4
120.04443	0.9
122.06010	10.4
123.06374	0.4
124.03927	0.5
132.04408	0.4
133.03918	0.5
134.05997	1.5
135.04453	0.6
135.06793	0.6
136.03935	4.3
136.07588	9.8
137.04668	0.7
138.05487	2.7
148.03954	0.4
150.05508	10.4
151.05774	0.4
152.07095	3.6
153.01845	0.7
172.07507	0.4
174.09178	1.0
176.03464	0.9
186.09148	3.5
187.11276	1.0
188.10719	0.5
188.12263	0.4
190.04968	1.0
191.05521	1.5
201.06467	2.4
201.08197	0.4
202.07146	1.9
202.08957	0.8
202.12297	2.2
212.10732	1.3
213.06589	0.6
214.07315	1.1
215.08182	3.1
216.08679	0.4
227.08185	0.5
228.10274	2.9
229.09769	15.0
230.12004	8.3
231.11743	0.6
239.08173	0.4
240.08992	0.9
241.09798	0.4
243.07558	0.4
243.11620	0.4
244.08537	0.5
245.09309	5.3
245.12692	0.7
246.11441	0.6
255.11331	4.0
257.09308	7.0
258.09985	2.0
259.10971	0.5
273.12436	21.8
274.12848	1.3
275.10428	1.7
290.12842	0.6
299.10257	0.5
307.09814	1.4
317.11407	20.8
318.11679	1.5
325.10818	0.9
334.11642	1.0
335.12482	100.0
336.12869	7.9
355.13028	1.4
359.12915	0.4
436.93210	0.4
599.21674	0.7
605.39520	0.4
631.23914	0.4
641.22931	0.5
659.24042	0.4
691.26984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
62.96419	1.3
71.01254	12.2
71.56066	1.5
73.02817	7.3
79.29404	1.3
85.02824	4.0
87.00742	1.6
89.02317	10.3
95.01246	1.7
101.02320	14.2
101.05938	2.5
105.29407	1.4
113.02320	7.5
119.03403	3.5
135.04456	1.4
155.99480	1.5
161.04451	6.9
173.04478	3.0
179.05548	4.2
184.03653	1.7
191.05547	8.3
215.36427	1.6
221.06473	1.6
263.11334	6.1
293.04483	3.0
305.12402	18.8
341.10867	19.0
349.11105	2.5
349.15012	3.1
452.37781	1.6
514.52142	1.5
674.54712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81607	0.4
59.01255	6.9
64.37958	0.3
65.03830	1.5
67.01768	0.6
71.01264	3.5
71.07111	0.7
71.07438	0.5
72.99205	0.6
73.02816	0.9
79.05418	0.6
85.02831	2.0
87.00768	1.2
89.02331	1.6
91.05421	7.9
93.03335	3.7
96.95897	2.3
97.02873	0.4
101.02328	1.8
106.06513	0.5
107.04917	3.4
108.02066	1.8
108.04495	0.4
109.02843	10.0
109.06470	1.3
113.02359	1.1
115.00242	0.4
119.03441	0.7
119.04921	1.1
121.02851	33.5
122.03730	2.2
122.05988	1.3
123.04342	0.4
125.02382	0.8
127.03912	0.6
133.02852	1.2
134.03642	9.7
134.06017	0.5
135.04420	90.1
136.04793	3.1
136.07639	0.5
137.02379	1.5
147.04424	16.8
148.05226	5.8
149.02341	0.5
149.05815	0.4
152.01042	0.5
152.07092	1.6
153.01820	0.5
159.04425	3.3
159.11719	0.6
160.05212	1.1
161.02333	0.7
161.05917	0.4
162.03236	0.5
163.03989	0.4
166.02678	1.4
173.04463	2.0
173.06039	1.5
174.06770	1.2
177.01834	0.5
177.09129	15.6
178.09537	0.8
179.03357	0.7
189.09148	46.6
190.09456	2.1
191.05565	4.8
192.05925	0.4
203.10716	100.0
204.11034	5.7
209.11821	1.0
215.10713	9.0
216.11156	0.6
227.11925	0.7
239.11943	0.5
253.09911	1.1
257.12927	0.8
267.11337	0.4
279.08768	2.0
283.02533	0.5
313.11969	0.9
319.12982	0.6
325.14450	71.1
326.14783	5.8
335.12500	0.9
393.09778	0.7
423.13477	0.4
463.08658	0.6
469.18802	11.9
470.19168	1.5
487.19763	23.6
488.20154	3.0
519.48322	0.4
529.20819	27.7
530.20996	3.2
583.25195	0.5
597.23322	0.8
615.24377	0.7
659.26801	1.6
690.40839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56835	0.8
54.51821	0.7
57.03336	1.4
58.00468	1.1
59.01252	27.9
69.03326	1.6
69.51933	6.1
71.01252	22.5
71.04901	1.2
72.99187	1.4
73.02824	3.6
73.40756	0.8
78.95782	1.0
81.03306	0.9
83.01283	1.8
83.04895	1.0
85.02821	5.0
87.00758	3.9
89.02320	16.1
91.05484	0.8
93.03314	1.2
95.01273	1.6
96.95894	1.1
97.02840	2.8
97.06460	1.4
98.19793	1.1
99.00735	2.1
101.02329	16.6
109.02856	1.7
109.06459	1.0
111.08038	7.0
112.19903	0.8
113.02333	8.6
115.73601	0.8
119.03369	4.7
121.10133	2.0
125.02332	4.4
125.09616	2.1
130.90063	0.7
135.04408	2.9
137.02303	1.0
143.03407	2.5
147.08052	0.8
159.02847	0.9
161.04480	2.8
167.10677	1.4
170.11281	0.8
171.10251	1.5
173.04506	1.4
177.12752	0.9
179.03311	1.6
179.05513	2.6
179.10715	1.1
183.78094	0.8
185.11772	2.7
191.05544	3.3
195.13855	2.8
197.11748	1.0
209.11787	2.6
211.13354	1.6
221.06709	0.9
225.11252	1.0
235.08174	4.7
247.20485	1.3
253.09273	2.3
273.18555	1.8
287.07776	1.4
291.19659	100.0
292.20007	9.0
323.09933	1.6
327.22073	0.8
397.13474	39.7
398.13867	2.3
408.99152	0.9
415.14566	22.7
416.14880	1.8
551.01678	1.0
689.33167	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.1
57.03318	2.5
57.19043	0.9
59.01253	28.0
61.98709	1.4
66.02917	1.0
67.94220	0.9
69.03317	1.5
69.26156	10.6
70.03063	0.9
71.01257	21.6
71.01632	0.8
73.02821	3.4
74.62971	0.9
79.81142	0.8
81.03336	1.2
83.01254	2.4
83.04902	2.3
85.02808	5.2
87.00767	4.3
89.02313	14.6
93.03323	1.6
95.01262	1.1
95.04903	2.0
96.95885	0.9
97.02827	2.6
97.06454	1.6
98.19842	2.0
99.00790	1.3
101.02330	16.1
109.06501	1.2
111.04359	1.1
111.08042	7.0
113.02327	7.4
119.03387	4.2
119.41673	0.8
125.02340	5.8
131.03421	1.0
135.04404	3.2
137.02342	1.3
137.09561	1.0
143.03419	1.7
161.04495	2.7
167.26031	1.0
171.10152	1.9
173.04472	2.5
179.05501	2.3
179.10681	1.8
191.05545	3.9
192.06015	0.9
193.08473	1.5
195.13831	4.8
207.10318	1.0
214.72070	1.0
221.06654	1.8
227.12866	1.9
235.06171	1.2
235.08052	5.2
240.76060	0.9
241.16745	1.1
247.20515	2.0
253.09273	2.9
255.08165	1.0
273.18576	1.8
287.07559	1.4
291.19659	100.0
292.19962	9.3
305.09045	1.2
336.95236	0.9
341.23233	1.1
397.13480	40.0
398.13788	3.1
415.14554	21.1
416.15186	1.4
485.33020	1.4
560.88544	1.1
689.33350	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09495	0.3
52.82051	0.3
55.01751	0.7
57.03316	1.8
58.00469	1.0
59.01254	22.8
63.28297	0.3
67.01741	0.4
69.03324	1.3
71.01256	18.8
71.04898	1.4
72.01570	0.3
72.48759	0.2
72.49223	0.3
72.84235	0.3
72.99192	1.6
73.02827	3.1
74.70801	0.2
75.00758	0.4
78.95741	0.4
81.03342	0.8
83.01257	1.7
83.04913	1.0
85.02826	4.3
86.03124	0.3
87.00750	4.2
89.02320	15.7
91.03928	0.3
93.03348	1.0
94.53202	0.3
95.01269	1.2
95.04908	1.1
96.95885	0.3
97.02843	2.7
97.06461	0.9
99.00771	1.6
101.02326	14.6
106.04098	0.3
107.04925	0.3
109.02838	0.6
109.06464	0.5
111.00838	0.3
111.04379	0.6
111.08042	8.3
113.02340	7.8
113.09605	0.5
115.03860	0.4
119.03396	5.6
121.02828	0.4
123.04395	0.4
123.08057	0.3
125.02338	4.9
127.03931	0.3
131.03384	0.7
134.54855	0.3
135.04393	0.6
137.09590	0.8
138.85254	0.4
139.03897	0.7
141.01788	0.6
143.03439	2.9
149.09612	0.6
152.99486	0.3
161.04457	3.0
163.11266	0.4
167.10643	2.1
171.10150	0.6
173.04515	0.4
177.12794	1.5
179.05550	4.0
179.10712	1.8
181.12346	0.3
185.04465	0.4
191.05515	1.3
193.12294	0.3
193.15947	0.3
195.13840	5.4
207.13908	0.3
209.11786	0.8
211.13358	0.4
212.42245	0.3
221.06621	1.0
235.08205	5.3
245.06581	0.5
247.20656	2.5
253.09364	1.9
263.07800	0.8
273.18588	1.4
277.09152	0.5
287.07755	1.0
291.19666	100.0
292.20026	7.6
305.08783	1.0
309.20645	0.5
323.09738	0.8
341.23428	0.6
375.06717	0.3
379.12152	0.5
397.13504	37.0
398.13870	2.6
415.14575	23.3
416.14883	1.7
465.64362	0.4
689.33728	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.01255	29.1
60.01571	0.7
61.98681	1.0
67.01778	1.1
69.03319	0.8
71.01255	24.1
71.04871	0.8
71.58733	0.8
72.99164	1.3
73.02814	3.9
81.03349	0.9
83.01265	2.3
83.04890	1.6
85.02830	5.4
87.00758	4.5
89.02322	15.2
93.03351	2.5
95.01273	1.5
95.04935	0.9
96.95886	2.7
97.02841	4.6
97.15211	0.7
99.00761	3.3
99.04391	1.1
101.02325	17.4
101.84927	0.7
109.02805	2.0
109.06453	0.9
111.00741	1.1
111.04440	1.7
113.01637	0.7
113.02340	7.8
119.03396	5.0
119.04855	0.8
121.02864	0.9
123.04395	0.8
125.02336	6.4
125.09620	0.8
126.90373	1.7
133.04971	0.9
133.36348	0.7
135.04425	2.6
137.02316	1.3
143.03416	3.4
149.04443	1.0
149.06021	0.7
151.03903	0.8
161.04456	4.1
163.11183	2.4
165.12773	18.4
171.10147	4.4
173.04472	2.4
179.05499	3.5
181.12198	1.2
183.13858	4.9
191.05551	5.7
193.08592	0.7
197.11803	1.1
199.13380	1.1
201.11275	1.3
207.10150	3.9
209.11757	9.7
221.06731	0.8
225.11310	5.5
227.12781	1.8
235.08206	5.8
241.09851	1.4
243.12320	2.0
247.20668	9.3
253.09296	3.8
265.07980	0.8
273.18619	4.7
287.07718	1.5
291.19662	100.0
292.19998	8.6
305.08719	0.8
315.13477	2.3
384.53592	0.7
397.13510	28.3
398.13937	2.3
415.14584	21.2
416.14688	1.2
461.20651	0.8
689.33496	9.1
690.34839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94442	0.5
55.01750	0.7
57.03326	1.3
59.01254	8.8
67.01766	1.6
70.47796	0.5
71.01259	4.4
73.02843	1.4
76.97061	0.5
79.47199	0.6
85.02830	2.5
87.00758	0.8
89.02325	3.2
91.01770	1.1
91.05420	1.1
93.03326	2.8
93.69849	0.6
93.85397	0.6
94.56820	0.7
96.95887	1.7
98.19762	1.2
99.04415	1.3
101.02328	3.2
108.02068	2.4
109.02849	5.0
113.02335	3.0
117.03350	1.3
119.03438	1.3
121.02846	5.5
123.04395	1.7
123.08002	0.6
135.00745	1.4
135.04402	11.3
135.08066	0.8
136.04938	0.6
137.02347	21.1
138.02708	0.6
145.02843	1.5
148.05341	0.7
149.02354	0.8
149.06009	4.5
150.06773	39.0
151.07225	2.4
152.01082	2.3
153.01845	2.6
153.05473	1.6
153.09129	1.1
159.04431	1.2
161.02376	1.8
161.04536	0.8
162.06732	1.0
163.00317	2.2
163.03967	0.6
163.07556	7.8
164.08322	7.7
165.01872	0.8
173.04512	0.6
173.05984	1.1
175.00284	0.7
176.08345	0.7
177.05554	2.2
177.09163	1.2
178.09976	1.3
179.03337	0.8
179.05554	0.9
179.10695	18.7
180.11075	0.8
187.03973	1.0
189.01834	0.9
191.05598	2.4
207.02995	0.9
209.04503	4.2
211.04074	1.2
213.05641	0.7
217.01569	0.6
224.04749	0.6
226.55962	0.6
229.05083	1.5
230.47363	0.7
235.06119	2.6
239.07095	0.9
241.05061	2.0
267.06717	1.0
273.03973	1.0
283.06143	1.2
285.04077	0.6
293.04532	0.7
297.55865	0.5
309.04272	0.6
315.12610	0.7
327.05118	1.6
335.70694	0.6
337.03635	0.9
343.24774	1.1
345.22754	3.7
354.03897	1.1
355.04535	7.5
356.05206	0.9
375.27295	0.6
405.05960	1.1
446.30197	0.8
461.32895	0.8
464.31332	4.9
465.31412	0.7
478.32932	0.9
479.33801	7.7
480.34412	1.8
491.09991	2.8
497.08572	0.8
506.32968	1.4
507.33267	2.8
509.10876	15.8
510.11279	2.4
515.09985	6.6
516.10291	1.3
524.33459	1.8
525.34326	26.5
526.34924	2.5
533.11255	1.0
645.35590	0.6
651.14850	1.3
687.39722	100.0
688.40094	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.396
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
52.33648	0.7
57.03318	0.8
58.48429	0.6
59.01257	4.3
69.35895	3.7
69.36320	2.7
70.85550	0.6
71.01265	2.6
72.48510	0.7
75.12800	0.7
78.99174	0.6
85.02831	2.3
87.00768	1.9
89.02338	1.1
93.03325	1.8
93.24103	0.7
96.95860	0.8
98.19729	1.2
99.04405	1.5
101.02326	1.0
108.02083	3.7
109.02862	3.0
109.06502	0.7
113.02313	1.7
119.03436	0.7
121.02811	0.5
121.06493	0.7
123.04408	0.8
123.08066	0.9
134.99039	0.6
135.04390	0.7
135.08037	0.8
136.05200	1.3
137.05974	0.7
149.05971	5.9
150.06772	51.2
151.07246	2.1
152.01083	3.5
153.01822	2.6
153.09164	1.1
161.09654	1.2
162.06711	1.0
163.07564	11.3
164.08344	9.3
173.04485	0.7
176.08301	1.0
177.09134	0.9
178.09903	2.5
179.10706	21.0
180.11049	0.9
191.05551	2.0
210.57402	0.6
289.67383	0.6
343.25046	1.9
345.22845	4.1
350.20709	0.8
375.27679	1.2
376.93396	0.7
389.25647	1.4
446.30377	1.5
461.32855	2.0
462.32846	0.7
464.31427	5.7
465.31879	1.4
477.32169	0.8
478.33078	1.7
479.33749	8.4
480.34143	1.0
506.32663	2.2
507.33167	5.8
508.33722	1.3
524.33795	3.2
525.34332	23.3
525.42273	1.3
526.34613	4.3
532.69855	0.8
687.39795	100.0
688.40216	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
59.01251	31.4
59.01535	1.8
65.03848	2.4
67.01771	7.3
68.79396	1.0
68.85332	1.1
71.01254	16.8
72.99208	1.7
73.02823	4.5
75.02288	1.6
83.01292	2.5
83.95547	1.2
85.02822	5.2
87.00761	2.2
87.04449	1.1
89.02328	11.2
89.03834	1.9
91.01788	3.0
91.04791	0.9
91.05414	3.7
93.03352	7.5
95.01271	2.9
96.95898	2.6
99.04399	1.1
101.02328	8.8
101.02837	0.9
105.03348	1.8
107.01262	1.1
108.02056	9.4
108.02579	0.9
109.02839	19.2
111.04395	1.1
113.02331	10.6
117.03366	5.4
119.01313	2.1
119.03406	4.9
119.04971	1.5
121.02834	7.9
122.03723	1.6
123.00784	3.4
123.04422	4.1
123.08154	1.2
125.02370	1.1
131.03464	1.2
133.02908	1.7
133.06529	1.3
135.00786	5.0
135.04422	40.5
135.08089	1.3
136.04800	1.8
137.02345	100.0
138.02728	2.4
143.03433	2.0
143.04927	1.0
145.02884	3.7
147.04543	1.5
147.45244	1.1
148.01564	1.4
149.02385	2.0
149.05975	5.7
150.03242	1.7
150.06773	42.2
151.07401	1.6
152.01067	8.1
153.01863	9.8
153.05487	5.2
157.06532	1.7
159.04483	5.6
161.02351	8.0
161.04510	3.3
161.05984	2.3
163.00264	7.7
163.03931	2.6
163.07532	8.8
164.01088	1.1
164.08336	8.6
165.01900	2.9
165.05544	2.5
171.04527	1.5
173.04631	1.8
173.06049	4.1
175.00331	3.0
177.05490	9.9
178.09912	3.2
179.03473	3.7
179.05573	3.0
179.10712	20.5
179.12201	1.6
181.04884	1.4
185.06012	2.1
187.03986	5.9
189.01880	5.6
191.03821	1.2
191.05566	5.9
195.06567	2.1
197.06090	1.5
198.03156	1.7
199.04027	2.0
201.05490	2.4
205.01442	1.6
207.03014	2.9
209.04424	2.3
211.03995	3.8
213.05592	2.6
217.01405	4.6
217.05037	4.2
223.07683	1.7
224.04799	1.6
229.05063	8.2
235.06023	12.3
237.05559	2.4
239.03587	2.9
239.07251	2.6
241.05017	8.1
255.06638	2.2
263.06961	1.1
265.05136	3.4
267.06644	5.3
273.04153	3.8
283.06076	5.1
285.04099	2.3
293.04617	1.7
297.07797	1.1
313.03708	1.6
327.04932	6.4
335.09299	1.7
337.03619	3.4
339.53427	1.3
343.24921	1.3
345.22745	4.9
354.03928	3.5
355.04575	29.9
356.05240	3.1
373.13083	1.2
375.27484	5.0
379.08499	2.3
405.06345	4.6
446.30490	1.1
447.07248	1.8
463.10226	1.6
464.31317	6.9
471.10556	1.8
473.08850	1.7
474.73624	1.1
479.27347	1.5
479.33575	7.0
481.11484	1.5
489.12161	3.5
490.09436	1.6
491.09824	11.6
497.08994	2.7
507.33441	1.6
509.10886	55.6
510.11157	9.0
515.09760	24.7
516.10388	4.4
524.33844	3.2
525.34418	30.2
533.10962	4.6
541.11786	3.3
559.12573	1.3
601.32379	2.3
651.15332	4.5
652.15942	1.7
669.16309	3.1
687.39972	95.7
688.40375	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71942	0.3
57.03321	0.6
59.01246	1.2
65.07249	0.4
71.01276	0.6
71.18880	0.8
71.19251	0.8
84.42889	0.4
85.02835	0.9
87.00751	0.7
89.02316	0.6
93.03319	0.6
96.02924	0.4
97.06428	0.4
99.04408	1.0
109.02852	1.2
111.08027	0.4
113.05968	0.5
117.03366	0.6
117.44104	0.4
123.04424	2.9
123.08016	0.9
127.11172	0.8
135.00764	0.6
135.08037	0.5
136.05212	0.6
137.02354	7.5
137.05949	0.7
137.09636	0.5
138.02661	0.5
148.05257	0.4
149.05992	1.7
150.06773	32.6
151.03938	1.5
151.07281	1.3
155.96671	0.4
161.02344	0.5
161.09633	1.0
161.61089	0.4
163.07539	4.6
163.23605	0.4
164.08344	6.6
165.05460	0.5
176.08380	0.7
177.01888	0.7
177.05531	0.4
177.09166	0.7
178.09920	1.8
179.03427	0.5
179.10703	18.4
180.11090	0.9
184.10951	0.6
189.01874	0.6
191.05600	0.6
211.91859	0.4
218.51497	0.4
233.04510	0.7
251.40936	0.4
283.06256	0.5
301.08603	0.4
306.18335	1.6
321.20670	1.4
327.05173	0.5
337.03564	0.4
341.23505	0.5
343.21304	4.5
350.20920	0.6
355.04581	2.5
444.28976	0.4
459.30515	0.7
462.29913	2.5
477.32187	7.6
478.32437	0.8
489.08359	0.9
504.30969	0.7
505.32010	1.9
507.09277	5.0
508.09158	0.6
515.10004	1.8
522.32025	2.0
523.32745	25.4
524.33209	2.4
685.38031	100.0
686.38385	16.6
700.49097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.38
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01250	1.9
69.47708	4.6
71.01253	1.8
71.01681	0.4
85.02802	1.0
87.00716	0.6
90.42527	0.5
96.95884	0.8
97.06476	0.9
99.04404	1.0
107.28411	0.5
109.02856	0.8
111.04426	0.9
111.08081	0.6
113.02347	0.7
123.08013	1.9
135.04388	0.6
136.05200	0.8
137.02408	0.9
137.05940	0.6
141.09073	0.6
145.04919	0.9
149.05980	2.2
150.06772	35.3
151.07251	1.1
161.09671	0.9
162.06738	0.8
163.07570	7.3
164.08363	5.2
165.08981	1.1
176.08351	0.9
177.09105	0.6
178.09895	1.9
179.10693	15.3
180.11099	0.7
229.10773	1.5
261.18640	0.6
277.24103	0.5
292.20340	0.8
302.19019	0.6
320.19974	2.2
335.22214	1.7
341.23312	0.8
343.21225	4.1
364.22589	1.8
373.25909	1.2
441.30487	0.7
444.29007	0.7
459.30872	0.8
462.29874	2.1
476.31927	1.0
477.32135	4.1
478.32150	0.9
504.31296	1.0
505.31433	2.2
522.31989	2.1
523.32733	22.6
524.33154	2.3
685.38049	100.0
686.38416	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26573	1.1
55.01761	1.1
59.01250	10.4
61.98697	1.2
63.49345	0.9
65.03849	2.9
67.01777	1.9
69.35351	9.4
71.01250	5.7
72.99171	1.1
73.02842	1.8
75.02293	3.5
79.01781	1.3
79.05421	2.5
82.32736	0.9
83.01282	1.0
83.27468	0.9
85.02860	3.4
85.17051	1.0
87.00767	1.5
89.02349	3.8
91.01772	2.5
93.03337	7.2
95.01295	3.3
96.95896	2.5
99.04382	1.1
101.02357	2.3
105.03377	2.4
107.04908	1.4
108.02046	8.1
108.39246	0.9
109.02845	19.3
113.02379	3.0
116.14793	0.9
117.03372	6.5
119.01292	2.8
121.02832	6.5
122.03662	1.7
123.00784	2.2
123.04407	41.6
123.05279	2.3
124.04835	1.7
125.02364	1.5
133.02881	2.2
135.00836	5.1
135.04372	5.8
136.01619	1.2
137.02342	100.0
138.02744	2.7
143.04993	1.2
145.02875	5.3
147.04459	1.9
148.01570	1.9
149.02367	5.5
149.06058	2.1
150.03119	2.2
150.06773	21.8
151.00357	1.0
151.03911	18.0
151.05013	1.1
152.01060	9.1
153.01878	8.5
157.06567	1.7
158.06050	1.0
159.04510	3.8
161.02328	8.4
161.06079	4.3
162.06863	1.1
163.00270	5.5
163.04002	3.3
163.07602	4.1
164.01079	1.3
164.08380	3.3
165.01904	1.7
165.05479	4.9
167.03427	5.9
167.04756	1.1
168.00575	1.0
173.04530	2.8
173.06087	1.0
175.00372	3.7
175.03943	1.6
177.01912	2.9
177.05612	2.8
178.09962	1.4
179.03435	5.0
179.10686	11.3
183.04576	1.0
185.06058	1.9
187.03986	4.3
189.01866	5.2
189.05531	1.5
190.99884	2.8
191.05615	3.9
193.04964	5.6
195.02979	3.6
198.03238	2.0
199.04005	1.2
201.05563	2.8
205.01431	2.4
205.05098	3.0
205.81996	1.0
207.03011	3.5
211.04018	2.8
213.05632	2.3
217.01529	4.7
223.07584	1.7
229.04970	4.8
233.04500	16.4
237.05655	2.7
239.03514	2.5
239.07199	4.2
241.05045	8.2
249.05807	1.6
255.06754	1.8
265.05066	2.4
267.06549	6.3
269.04654	1.6
273.04105	2.9
281.04477	1.0
283.06305	4.3
285.04263	3.7
293.04678	2.0
311.05597	1.6
313.03571	1.5
319.06302	1.1
327.05118	7.6
327.21948	2.5
337.03714	3.2
343.21515	3.5
349.07346	1.2
354.03833	6.2
355.04575	34.0
355.09003	1.7
356.05038	2.9
361.07462	1.4
364.22592	1.4
378.41501	1.1
379.08450	1.9
405.06461	4.8
447.07401	2.3
457.05676	1.3
471.11630	1.4
477.32462	4.2
488.07449	1.6
489.07642	13.6
490.09152	1.7
497.09009	4.2
506.08853	1.8
507.09311	72.8
508.09622	8.9
508.15652	1.0
515.09851	24.3
515.16986	2.3
516.10291	3.1
522.32404	1.6
523.32727	16.1
533.11292	4.3
539.09637	1.3
606.21478	1.3
649.13367	5.0
667.14984	2.3
685.38690	67.6
686.39429	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.0
57.03325	2.5
58.00469	1.8
59.01252	92.7
64.33104	2.0
65.03828	4.6
67.01759	11.8
69.03323	5.7
69.34222	6.8
69.34648	10.2
71.01256	56.2
72.99172	4.6
73.02828	14.5
75.87595	1.7
76.22184	1.5
78.08730	1.5
78.95763	2.7
83.01276	11.2
85.02823	35.1
87.00752	7.4
89.02323	15.6
91.05418	8.6
93.03339	7.5
95.01266	8.5
96.95879	3.2
97.02834	16.4
99.00767	6.4
101.02325	36.9
107.04881	2.3
108.02074	6.4
109.02840	47.6
110.03213	2.7
111.00772	5.9
113.02338	21.3
119.03391	5.1
121.02852	10.9
122.03603	2.8
123.04421	14.8
124.01514	3.3
125.02320	6.5
131.08583	2.3
135.04416	86.3
136.04747	3.3
136.41768	1.7
137.02347	16.8
139.03915	26.5
143.03415	4.8
149.02359	3.0
150.06769	6.0
151.03923	6.3
152.01067	7.4
153.01807	5.9
153.05492	18.8
161.02382	13.0
161.04488	5.5
161.05946	2.1
163.03868	4.5
163.07602	3.0
165.05435	7.8
173.04483	3.1
173.06001	2.9
175.07559	11.6
176.10515	1.6
177.05493	32.0
179.03448	7.7
189.05492	2.4
191.03787	2.9
191.05530	14.6
195.06551	19.3
197.04472	2.7
201.09206	2.1
203.07103	9.1
205.05075	2.7
205.08623	7.3
211.03961	2.7
221.08153	4.1
225.05496	3.1
227.07072	29.5
231.10179	1.9
247.00200	2.0
253.08788	6.2
255.06551	4.6
257.08185	47.4
258.08545	2.8
271.09644	9.3
273.24536	2.7
273.50922	1.8
279.06561	2.4
291.10138	2.7
313.23679	1.8
323.09341	2.2
325.10925	4.1
334.75174	2.0
345.11017	1.8
349.10666	4.2
359.27737	1.7
363.12488	5.6
367.04697	4.1
367.11844	43.0
368.12173	7.9
379.32391	1.8
381.13425	9.5
393.13437	2.5
411.14481	7.4
417.28452	3.2
435.29535	12.1
461.31232	4.1
479.31735	2.2
503.16956	9.7
505.07858	7.8
521.18140	94.1
521.31421	4.9
522.18463	17.7
543.17926	1.8
573.19873	2.8
579.33850	100.0
580.34143	14.0
597.34937	72.4
598.35205	10.8
623.36304	18.0
639.35809	9.8
641.37726	15.2
642.37177	2.4
665.22461	2.8
683.23694	9.0
683.38989	28.6
684.23889	2.5
684.38226	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	4.6
57.03331	8.6
58.00481	2.5
59.01252	100.0
65.03850	5.8
67.01765	10.7
69.03336	4.8
70.92181	3.3
70.92554	8.2
71.01259	59.1
72.99152	4.2
73.02820	16.0
80.72465	2.4
83.01275	10.7
83.19856	2.6
85.02828	27.9
86.03131	2.3
87.00773	7.5
89.02325	16.2
91.05418	8.0
93.03336	8.7
95.01274	9.0
96.95889	3.4
97.02849	15.9
99.00755	6.5
101.02341	37.5
107.04919	2.3
108.02059	6.9
109.02850	43.1
111.00751	9.9
112.01531	2.9
113.02335	24.1
116.91943	2.5
119.03430	5.0
121.02853	7.6
122.03676	2.9
123.04431	14.4
125.02357	8.1
135.00772	3.5
135.03410	5.7
135.04419	99.7
136.04803	3.6
137.02368	17.2
139.03911	23.8
143.01009	2.5
143.03427	2.9
147.04442	3.4
149.06133	3.3
150.06772	4.0
151.03931	8.6
152.01064	5.6
153.01857	5.8
153.05475	21.1
161.02400	9.5
161.04446	6.1
165.05545	8.4
173.04578	3.1
175.07578	14.8
177.05498	36.6
179.03473	5.0
191.03619	5.5
191.05571	15.2
195.06592	23.7
203.07079	11.4
205.08607	10.7
205.93498	2.6
211.03964	3.0
221.08128	4.2
225.10919	3.1
227.07074	28.1
236.06557	3.0
253.08820	7.1
255.06551	5.7
257.08221	47.9
258.08524	3.5
271.09818	8.0
273.24472	2.6
330.04956	3.1
363.12308	4.1
367.04611	5.1
367.11859	36.4
368.12219	6.1
381.13669	10.7
393.13715	4.6
395.54120	3.2
405.97760	2.8
408.56433	2.7
411.14343	5.3
435.29892	13.6
477.07751	4.3
479.32385	2.6
503.17157	8.0
505.07968	13.9
506.07843	4.3
521.18152	87.3
521.30621	4.9
522.18494	15.1
530.55212	2.8
579.33807	88.9
580.34381	11.0
597.34906	72.9
598.35486	11.5
623.36292	13.8
639.35913	10.1
641.37689	9.6
683.24420	9.9
683.38660	27.0
684.23749	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33049	0.3
54.41141	0.3
57.03319	0.7
58.00465	1.6
59.01252	35.8
59.46199	0.3
60.01588	0.5
64.42382	0.3
69.60029	2.5
71.01254	26.4
72.01582	0.5
72.99180	1.6
73.02829	1.1
77.12769	0.4
83.01279	0.7
85.02833	3.2
86.58795	0.3
87.00756	1.5
89.02318	30.2
90.02693	0.4
95.01266	1.6
98.19817	0.7
101.01694	0.8
101.02330	10.6
113.02336	10.4
118.96941	0.4
119.02564	0.8
119.03390	11.3
131.03412	1.4
143.03424	3.0
149.04451	0.9
161.04485	4.3
162.45006	0.4
179.05547	18.9
200.67188	0.4
341.10880	100.0
342.11234	7.4
392.65091	0.4
408.41022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58929	0.3
53.42100	0.6
59.01232	1.3
60.99877	0.4
69.71196	2.4
71.01248	1.8
73.02818	0.9
85.02791	1.0
89.02336	0.5
93.03338	0.9
96.95895	0.9
98.19892	0.6
99.00789	0.5
101.02324	1.9
104.88347	0.4
108.02048	0.7
109.02883	0.8
111.00765	0.6
113.02325	0.9
113.63739	0.4
121.02846	2.6
122.03622	1.2
123.00761	0.9
123.13496	0.4
124.01522	0.4
133.02855	0.5
135.04408	1.3
137.02353	1.6
137.05962	0.7
143.04866	1.0
147.04425	1.2
149.02367	1.5
150.03133	5.3
151.03819	0.7
152.00996	0.6
153.05530	0.6
155.03389	0.7
158.03615	1.8
159.04419	5.6
160.05203	20.3
161.02376	0.5
161.04446	1.9
161.05963	4.8
163.03923	5.0
164.04697	4.1
173.04510	0.7
173.05977	2.6
175.07561	19.2
176.04562	0.5
176.07890	0.7
177.05486	5.7
178.06256	5.3
179.03406	1.3
191.05524	4.7
192.07861	0.9
193.08623	2.4
206.06079	0.4
236.39101	0.4
287.91519	0.4
314.11447	0.6
329.13934	100.0
330.14291	8.1
353.08707	0.6
359.14978	17.9
360.15396	1.7
380.58807	0.4
521.12933	0.7
521.20013	1.1
575.45337	0.5
683.20087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35170	0.6
55.11736	0.6
57.03315	0.7
59.01244	6.3
61.62849	0.6
67.01752	2.1
69.22952	7.8
71.01255	5.0
72.99169	0.9
73.02812	1.6
81.03338	0.7
83.01281	0.9
83.59631	0.6
85.02822	6.1
87.00736	3.7
89.02320	2.1
93.03340	16.2
99.04429	0.7
101.02342	1.6
108.02042	1.9
109.02846	3.1
111.00737	1.4
111.04412	1.8
113.02296	1.5
113.78529	0.7
121.02835	1.2
123.04414	1.8
125.02368	0.6
127.03920	1.8
133.02849	4.8
134.03598	0.6
135.04414	15.7
135.05443	1.0
137.02327	1.4
139.00269	2.2
140.01047	1.9
147.04448	0.6
150.03165	0.9
150.23000	0.7
151.00313	0.6
152.00984	0.9
153.01854	4.1
153.05452	1.1
154.02608	0.9
155.03419	5.0
159.04445	0.7
161.02347	4.9
164.04639	0.7
173.04483	6.6
175.07475	0.7
175.63043	0.6
177.01904	1.2
179.03415	10.3
191.05544	100.0
192.05838	3.3
203.03423	0.9
206.40723	0.7
215.05704	0.8
311.09326	1.0
317.08759	5.4
329.14099	3.2
341.13892	1.0
351.07010	1.0
353.08777	28.8
354.09091	2.6
362.03299	0.6
367.10550	1.8
395.09836	4.0
396.10031	0.8
407.09790	0.6
425.11606	0.8
455.11993	0.8
479.08466	0.8
564.97125	0.8
683.18176	5.0
684.87866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57426	0.5
55.01753	1.6
57.03322	1.2
58.00465	2.1
59.01253	40.0
61.98420	0.6
61.98706	7.2
67.01758	0.5
68.82800	0.6
68.99693	0.6
69.03314	2.5
71.01254	39.9
72.99191	4.0
73.02827	7.0
75.00741	1.0
78.95783	1.2
79.95605	2.0
81.03320	1.5
83.01264	4.4
85.02822	9.9
87.00756	9.0
89.02319	34.3
91.03860	0.9
93.03345	0.5
95.01254	3.5
96.95885	1.4
97.02831	7.2
98.19785	1.9
99.00752	2.9
101.02327	34.2
109.02834	0.9
111.04415	1.1
113.02327	15.5
115.03909	0.6
116.28774	0.6
119.03391	10.7
121.02829	1.0
125.02348	13.0
131.03391	1.8
133.04967	0.9
139.03947	0.9
141.01805	1.0
143.03415	6.4
149.04500	1.1
161.04469	7.7
167.03421	1.1
179.05531	7.5
203.05617	0.7
217.07141	1.3
221.06630	3.0
223.67067	0.5
235.08215	15.6
245.06659	1.6
253.09317	4.0
263.07693	1.9
277.09158	0.8
277.21677	1.9
283.26425	100.0
284.26819	8.6
287.07779	2.7
305.08804	4.6
323.09766	1.4
379.12546	0.9
397.13501	83.0
398.13882	5.9
415.14575	31.7
416.15005	2.2
493.05231	0.7
550.64929	0.6
594.96985	0.7
681.36969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35170	0.6
55.11736	0.6
57.03315	0.7
59.01244	6.3
61.62849	0.6
67.01752	2.1
69.22952	7.8
71.01255	5.0
72.99169	0.9
73.02812	1.6
81.03338	0.7
83.01281	0.9
83.59631	0.6
85.02822	6.1
87.00736	3.7
89.02320	2.1
93.03340	16.2
99.04429	0.7
101.02342	1.6
108.02042	1.9
109.02846	3.1
111.00737	1.4
111.04412	1.8
113.02296	1.5
113.78529	0.7
121.02835	1.2
123.04414	1.8
125.02368	0.6
127.03920	1.8
133.02849	4.8
134.03598	0.6
135.04414	15.7
135.05443	1.0
137.02327	1.4
139.00269	2.2
140.01047	1.9
147.04448	0.6
150.03165	0.9
150.23000	0.7
151.00313	0.6
152.00984	0.9
153.01854	4.1
153.05452	1.1
154.02608	0.9
155.03419	5.0
159.04445	0.7
161.02347	4.9
164.04639	0.7
173.04483	6.6
175.07475	0.7
175.63043	0.6
177.01904	1.2
179.03415	10.3
191.05544	100.0
192.05838	3.3
203.03423	0.9
206.40723	0.7
215.05704	0.8
311.09326	1.0
317.08759	5.4
329.14099	3.2
341.13892	1.0
351.07010	1.0
353.08777	28.8
354.09091	2.6
362.03299	0.6
367.10550	1.8
395.09836	4.0
396.10031	0.8
407.09790	0.6
425.11606	0.8
455.11993	0.8
479.08466	0.8
564.97125	0.8
683.18176	5.0
684.87866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.7
57.03307	5.1
57.62742	1.1
58.00475	2.8
59.01251	100.0
67.01725	1.6
67.08257	1.0
71.01253	70.0
71.58389	1.5
72.01598	1.3
72.99173	4.5
73.02816	19.9
75.00769	1.1
83.01252	11.2
83.04898	2.7
85.02825	34.6
87.00750	10.1
89.02318	24.8
93.03339	7.6
95.01257	5.5
96.95909	3.0
97.02827	4.3
98.01662	1.1
99.00743	6.7
99.04415	1.7
101.02324	44.6
108.02016	2.8
108.05354	1.3
109.02838	4.6
111.00759	4.2
111.04385	1.1
112.01549	1.8
113.02333	31.9
115.03922	2.1
116.92766	1.4
119.03388	7.1
119.04882	2.3
121.02868	3.1
123.04448	2.7
124.01525	1.4
125.02327	8.7
127.04004	1.1
129.01881	1.4
135.04459	5.7
137.02324	3.8
143.03395	8.1
149.04430	1.4
151.03934	1.9
152.01016	2.6
153.01839	2.2
159.02890	2.3
161.02362	2.6
161.04471	7.6
173.04483	10.1
175.02391	1.4
177.01839	2.6
179.05568	2.1
191.05556	22.1
191.07159	2.4
192.05875	2.1
208.15213	1.1
214.42526	1.1
223.13271	2.6
235.44269	1.2
315.25403	9.6
333.51340	1.4
345.22763	2.0
347.09958	1.1
364.22388	1.1
384.94110	1.2
392.20581	1.3
397.13556	2.0
400.19229	1.2
406.54208	1.3
458.68298	1.2
459.29648	16.2
460.29739	1.6
477.30658	28.9
478.30939	3.1
519.32300	2.2
579.34283	1.6
585.32635	1.7
621.34912	94.4
622.35345	11.9
639.35925	90.3
640.36279	14.9
681.26862	3.6
681.37360	13.3
682.37402	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01249	2.1
57.03321	2.3
58.00452	5.2
59.01254	77.2
62.47272	2.4
69.03348	2.4
71.01256	61.4
71.57867	2.4
72.99184	6.6
73.02818	12.0
75.02675	2.1
80.74258	1.9
83.01259	5.0
85.02835	14.8
87.00780	4.9
89.02322	55.7
93.03365	3.6
95.01260	7.1
96.95878	4.4
97.02798	3.5
99.00758	9.4
101.02331	36.4
109.02787	2.0
113.02327	18.7
115.44942	2.5
116.19421	2.0
119.03396	19.0
124.70944	2.4
125.02335	8.4
131.03401	6.3
136.01547	4.8
143.03441	2.7
149.04462	5.0
151.03876	10.6
161.04456	3.7
162.00090	2.0
173.04547	2.9
179.05614	6.0
182.90823	2.6
189.01434	2.1
189.12622	3.8
191.05524	16.0
233.06622	6.4
293.08771	4.3
357.13489	8.4
385.28012	2.1
405.20844	2.5
501.23285	15.3
519.24225	4.7
544.26324	2.5
549.25562	7.4
681.29730	100.0
682.30096	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.5
57.03333	6.5
59.01251	100.0
67.01762	3.6
71.01255	65.0
71.58260	2.7
71.58644	3.7
72.99174	4.4
73.02810	19.4
73.03152	2.2
74.42273	2.0
83.01268	13.0
85.02829	27.5
87.00758	15.0
89.02323	18.7
89.13691	2.5
93.03363	12.3
95.01274	10.2
96.95889	4.7
97.02835	4.2
99.00769	6.4
101.02322	42.9
108.02087	4.9
109.02852	8.4
109.10326	2.0
111.00781	5.4
113.02338	27.4
115.00245	11.1
119.03405	8.4
119.04919	2.8
121.02832	3.6
123.04436	3.1
125.02333	7.8
135.04387	11.2
137.02325	8.3
143.03386	8.1
151.03935	3.9
152.01047	4.6
153.01756	2.8
153.97820	2.3
159.02977	3.1
161.02419	3.4
161.04485	6.2
171.10347	2.3
173.04442	7.3
173.05881	2.8
175.02435	20.8
179.05492	4.4
191.05571	44.9
192.05914	3.6
200.82457	1.9
227.03352	3.1
239.48915	2.0
281.09338	2.7
285.52435	2.2
315.25412	4.6
357.26566	13.3
433.28061	7.9
459.29416	5.4
463.21387	2.6
474.16571	3.3
477.30560	8.5
506.19437	3.4
519.31622	2.9
577.32263	40.3
578.32764	5.3
579.33289	3.0
595.33392	33.7
596.33966	5.9
621.34729	28.3
622.34747	4.6
637.33539	5.2
639.35797	32.8
640.36444	5.2
681.37793	20.4
682.36823	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	40.9
59.82940	2.0
62.51325	1.8
69.43390	20.1
71.01254	17.9
73.02834	3.6
75.00754	2.3
81.03359	2.4
83.01266	3.0
83.42046	2.0
85.02830	6.7
87.00770	3.3
89.02316	9.0
93.03342	6.5
94.02857	7.8
96.95889	3.7
98.19782	2.9
99.00729	2.2
101.02325	9.0
108.02076	4.6
109.02834	9.7
113.02332	7.6
116.92719	3.2
119.03368	3.9
119.04908	2.9
121.02809	4.3
122.06035	3.6
123.00790	2.9
123.04376	2.2
125.02312	3.2
127.03896	2.0
129.45717	2.2
135.04411	13.6
136.07607	3.4
137.02336	8.3
143.03452	2.2
149.02419	2.1
150.05548	2.7
151.00290	15.0
152.01070	3.0
153.01891	2.7
157.07632	2.7
161.02373	5.7
161.04453	4.0
163.03909	2.9
163.07542	5.1
166.02634	42.0
167.03304	1.9
173.04460	11.3
175.03949	3.9
175.07462	3.1
177.01833	9.2
179.03407	7.2
181.04991	44.4
182.05418	3.2
191.05522	22.7
205.08568	3.9
205.51276	2.0
217.08614	3.1
219.07866	4.9
229.09630	2.1
230.11987	2.2
235.09621	2.9
250.72246	2.0
255.11380	2.9
257.09384	3.1
273.12527	5.8
276.09030	3.0
291.11313	6.8
294.10266	2.4
297.07870	2.1
317.11566	3.2
334.29980	2.5
335.12756	27.9
341.10385	6.4
356.12619	2.7
357.13358	4.1
387.10736	11.8
387.15088	2.6
402.13190	8.0
417.15540	100.0
417.21237	5.0
418.15845	10.3
475.24435	3.2
519.18481	13.2
589.22858	3.0
631.23877	9.0
632.23993	3.0
649.25494	10.5
663.26105	3.5
681.24988	7.0
681.36981	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11494	1.1
59.01248	14.6
65.00166	1.4
65.03835	3.5
67.01761	14.2
71.01260	9.6
71.58464	1.3
73.02818	2.6
78.95805	1.8
83.01258	1.8
85.02816	7.8
86.01707	1.0
87.00732	2.4
89.02281	1.5
90.47749	1.1
91.01789	1.4
91.05412	9.1
93.03344	10.8
94.03630	1.3
95.01308	1.3
95.04847	1.4
96.95895	1.9
100.06873	1.2
101.02311	4.5
105.03326	1.3
107.04887	1.5
108.02042	2.7
109.02841	47.5
113.02296	3.4
119.04911	4.8
121.02852	7.4
123.04391	5.0
131.08574	1.4
133.02818	3.3
133.06435	2.0
135.00732	1.6
135.04417	100.0
136.04784	3.9
137.02344	36.5
138.02666	1.5
143.03348	1.3
143.04898	1.7
147.04475	2.9
149.02382	6.5
150.03098	1.9
151.03917	2.1
152.01074	3.1
153.01830	4.2
153.05486	24.0
154.05809	1.3
157.06468	4.1
159.04411	3.7
161.02359	8.9
161.05968	2.3
163.03911	8.7
173.04445	6.1
173.05971	8.5
175.03932	4.4
175.07559	7.0
177.05467	10.2
179.03452	2.1
187.03917	7.6
189.01807	2.2
191.05544	28.7
191.06982	1.0
192.05827	5.4
193.06145	1.9
195.06575	3.3
201.05499	10.4
202.05786	2.0
203.03448	2.0
203.07074	35.0
204.07404	2.0
211.04050	7.5
212.04646	1.4
213.05415	2.2
214.06007	1.4
215.07040	3.0
216.86293	1.2
217.12338	1.3
227.07118	15.8
229.05019	2.9
239.03300	2.4
255.06610	68.6
256.06967	4.8
308.65503	1.5
323.09146	7.0
365.10294	39.6
366.10529	4.2
409.13120	1.6
444.24896	1.9
445.25281	2.8
469.22073	1.5
470.22491	2.2
471.23111	5.1
485.14212	1.5
507.25110	1.7
519.16559	12.9
520.16956	2.3
527.15594	68.1
528.15851	10.2
681.21246	18.5
681.31683	4.4
682.21899	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
71.01250	63.8
72.99180	6.4
73.02808	24.7
75.00754	8.2
78.95776	9.1
83.01249	14.6
85.02835	25.4
87.00758	12.5
89.02308	52.8
93.03339	14.4
95.01289	9.2
96.95893	13.3
97.02839	5.1
98.19785	15.7
99.00741	7.2
101.02314	44.0
108.02054	7.7
109.02811	20.5
111.00745	6.9
113.02359	33.2
113.03027	6.9
119.03389	17.2
121.02847	8.1
122.06032	7.1
123.00778	6.6
125.02397	8.8
128.93169	4.7
131.03366	7.6
135.04407	26.5
137.02339	13.5
137.06047	6.0
137.12315	4.1
139.00246	5.4
145.80104	4.2
151.03864	8.9
152.00995	5.6
153.01840	17.6
155.03320	5.2
161.02333	11.4
161.04480	13.1
162.03053	7.2
163.03909	6.4
166.02641	6.7
173.04510	16.7
177.01775	6.0
177.05478	7.5
179.03442	9.3
179.05522	14.5
191.05539	36.0
192.04181	7.5
193.04901	8.8
255.03017	6.3
267.11465	11.2
267.80301	5.4
297.13449	5.0
308.11365	7.1
321.17068	13.5
336.12665	6.8
343.07846	7.4
358.10529	10.4
373.12918	26.7
403.13837	13.9
417.15219	7.0
418.12335	5.7
433.15009	81.6
434.15109	5.7
492.18076	10.4
501.19708	6.1
524.20367	16.6
577.28516	20.1
595.29626	12.7
637.21655	53.3
637.31396	9.1
638.21436	6.5
669.33911	6.2
681.26843	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
61.98705	100.0
67.01855	0.8
77.94154	0.8
78.31419	0.8
78.95773	2.5
95.46088	0.8
112.17879	0.8
210.38911	0.9
283.20178	1.0
307.19070	3.5
309.20694	3.2
358.22095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
55.38495	0.7
56.71764	0.7
57.03323	1.2
58.00468	1.2
59.01252	36.9
61.98721	0.9
62.83139	0.8
69.03324	2.0
70.40347	1.5
71.01254	34.4
72.79408	0.7
72.99189	2.8
73.02820	4.6
81.03322	2.1
83.01257	3.6
85.02830	6.9
87.00752	8.6
89.02316	30.4
95.01274	2.1
97.02820	6.0
97.59668	0.8
99.00737	2.3
101.02319	25.7
109.02803	0.9
113.02323	13.5
119.03390	9.8
125.02344	12.3
131.03389	1.4
133.04962	1.2
133.96600	0.8
139.03918	1.2
143.03406	6.0
146.33047	0.8
149.04427	1.3
154.85158	0.9
161.04514	6.8
167.03352	1.2
179.05469	5.4
192.16064	0.9
219.05138	0.9
221.06621	2.0
235.08202	12.8
253.09323	2.7
263.07654	1.0
277.09296	1.2
281.24860	100.0
282.25226	9.4
287.07745	3.7
292.52097	1.0
305.08820	3.4
312.23346	0.9
313.00650	0.9
319.23770	0.8
323.09836	1.5
373.57056	0.8
379.12552	1.3
397.13501	65.8
398.13928	4.3
415.14578	27.3
416.14801	1.7
549.90320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15908	0.3
59.00988	0.5
59.01253	4.9
65.99712	0.4
71.01256	1.4
71.58045	0.4
80.29438	0.3
83.04890	0.9
85.02843	0.8
87.00768	0.5
89.02308	1.1
93.03336	0.7
94.02844	2.2
95.04829	0.3
96.95852	0.7
98.02367	0.6
99.04411	0.5
101.02311	1.0
107.03660	0.4
108.04437	2.5
109.02857	0.3
113.02314	0.5
120.04400	0.6
122.06013	8.9
123.06371	0.4
124.03949	1.7
126.05566	0.3
132.54526	0.3
134.06056	1.4
135.04408	1.2
135.06747	0.4
136.03946	3.9
136.07588	9.2
137.02341	0.5
138.05501	2.6
145.84839	0.3
147.05560	0.4
150.05515	9.2
152.07077	2.0
153.16425	0.4
159.05511	0.4
159.11647	0.5
160.03944	0.4
161.02374	0.4
162.05550	0.3
168.30333	0.3
172.07579	0.4
173.04407	0.8
174.09221	1.0
175.07535	1.1
176.03403	0.3
185.09592	0.3
186.04263	0.4
186.09164	3.2
187.11287	0.4
188.10701	0.3
191.05537	1.3
201.06444	2.4
201.08261	0.5
201.10245	0.3
202.07117	1.8
202.08771	1.0
202.12285	1.8
212.10754	1.8
214.07346	0.9
215.08153	2.3
216.08794	0.5
227.08202	0.4
228.10262	3.2
229.09778	14.2
230.12024	9.0
231.11470	0.9
240.09062	1.4
241.09662	0.6
243.11374	1.0
244.08414	0.7
245.09293	5.9
245.12939	0.9
246.11584	0.4
255.11386	4.4
257.09320	8.6
258.09851	1.3
259.10849	1.2
260.11716	0.4
273.12442	22.7
274.10403	0.7
274.12802	1.3
275.10327	2.2
285.04065	0.3
290.12741	1.3
299.10251	0.7
317.11414	18.1
318.11615	1.2
334.11743	2.7
335.12473	100.0
336.12787	7.7
343.12924	0.3
465.64291	0.4
575.21674	0.5
607.24048	0.7
647.23346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61898	0.8
56.08528	0.7
57.03312	1.1
57.51165	0.7
59.01248	7.8
60.99160	2.4
61.98686	1.8
65.03847	0.9
67.01756	6.0
69.03326	1.2
69.25623	1.1
69.25970	9.5
69.39138	0.7
71.01250	4.1
72.99157	4.6
81.03317	2.6
83.04888	1.6
85.02818	10.5
87.00751	9.5
93.03332	39.1
94.03665	1.5
99.00768	1.2
100.13316	0.7
107.04885	0.9
108.02054	3.4
109.02841	19.1
111.04411	7.1
113.45935	0.8
121.02849	1.1
123.04420	4.4
124.01593	1.0
127.03893	2.1
129.01860	1.6
133.02840	2.6
134.03610	4.9
135.04414	31.9
136.01549	6.9
136.04747	0.9
136.53682	0.9
137.02341	37.8
138.02705	1.1
151.03902	8.0
153.05508	1.0
154.02571	2.4
155.03429	2.8
160.89998	0.7
161.02321	1.7
171.02824	3.9
171.10178	0.8
173.04466	34.0
177.01852	1.8
178.02612	3.9
179.03407	3.1
189.03966	1.3
191.05533	100.0
192.05870	3.9
195.02965	1.2
195.61176	0.9
197.04596	1.7
232.05757	1.2
233.06575	5.7
233.08636	0.9
247.04333	1.2
264.04803	1.4
286.96689	0.8
296.41840	0.9
309.20563	5.9
313.81000	0.9
340.07944	1.6
353.08777	1.4
369.08176	2.1
370.08981	2.4
371.09717	6.2
372.83929	0.9
443.24408	5.3
444.24939	1.3
461.25449	1.0
469.22482	4.9
505.24405	19.6
506.24442	2.9
618.46899	1.2
619.46960	1.2
649.28241	1.3
661.28894	1.0
679.29663	58.6
680.30042	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	2.1
58.88929	2.1
59.01252	55.0
71.01247	23.5
71.58849	4.2
71.59226	3.1
72.99194	2.7
73.02815	4.3
74.17042	2.3
78.61004	2.0
79.05370	2.8
83.01282	3.5
83.49863	2.2
85.02852	6.5
87.00772	3.3
87.88763	2.1
89.02331	24.1
91.05431	4.9
93.03335	8.4
96.95898	9.1
99.00058	2.1
99.00742	4.3
101.02331	22.5
103.03894	2.3
107.04890	12.5
108.04457	4.2
109.02854	4.4
110.06029	3.0
113.02319	10.8
119.03417	14.1
121.02794	2.4
122.06013	14.6
124.03945	3.3
133.02829	2.6
135.04424	41.1
136.03941	4.5
136.07587	8.2
137.02327	2.9
138.05508	2.7
150.05515	8.4
159.04440	4.3
161.02359	23.5
161.04425	3.4
162.05539	2.4
166.05005	3.1
173.04514	7.5
175.07568	76.2
176.07961	4.2
177.01822	4.4
179.05540	3.9
191.05571	13.2
201.10452	3.6
203.05865	3.0
207.95354	2.3
215.08266	3.5
227.11737	3.0
229.09818	13.4
230.11807	8.4
243.11371	2.8
245.09323	7.3
255.11441	5.7
257.09265	10.3
258.33585	2.4
259.10931	3.2
262.07458	2.8
263.08258	3.7
267.11261	4.4
272.11707	2.1
273.12436	20.8
275.10468	8.1
277.09784	8.4
278.10394	2.8
279.11743	2.7
291.11353	6.9
292.09354	2.6
292.12018	13.3
295.09927	2.6
317.11383	25.0
319.09613	5.8
319.13062	8.1
327.12711	2.8
334.11682	3.5
335.12521	100.0
336.12808	6.3
337.10971	7.9
343.12955	4.4
355.13980	30.0
362.16281	2.5
373.13474	3.0
385.14261	4.5
403.15247	5.6
414.14291	2.9
430.13889	5.0
445.16217	5.4
446.16968	3.8
473.23849	7.6
476.18341	15.5
489.15274	4.2
499.16272	5.0
508.20425	12.2
517.17322	9.6
530.69342	2.7
533.26691	2.4
543.22266	3.8
585.23431	13.8
603.24500	7.8
604.25342	4.5
617.26111	10.2
619.23895	4.5
629.22089	11.6
647.23505	24.1
648.23907	4.1
661.25378	10.2
679.24365	15.1
680.26105	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58661	0.6
54.58759	0.5
59.01255	2.6
59.63203	0.5
67.01768	0.6
69.27109	4.6
69.27522	1.8
87.18553	0.5
94.02859	2.8
108.04430	2.3
120.16282	0.5
122.06013	9.4
122.09702	0.5
124.03957	1.4
124.15144	0.5
134.06039	1.6
135.04382	0.8
136.03934	3.1
136.07579	9.2
137.04697	0.5
138.05484	1.8
142.75813	0.6
146.06038	0.6
148.07607	0.6
150.05518	9.5
152.07057	2.0
170.44138	0.5
174.09172	1.0
177.01866	0.6
186.09207	2.3
191.05524	0.9
201.06610	2.4
202.07384	1.8
202.12297	2.3
203.05801	0.9
212.10716	1.9
213.06560	0.7
214.07310	1.0
215.08241	2.1
216.09091	0.6
228.10265	2.4
229.09766	14.1
230.11995	9.2
231.11136	0.6
240.09097	1.1
243.11296	0.7
245.09328	6.0
245.13022	1.0
255.11391	3.9
257.09274	7.4
258.10034	2.0
259.10889	0.7
273.12442	21.1
274.12833	1.3
275.10364	1.4
317.11407	20.1
318.11838	1.1
325.11877	1.3
334.11581	1.6
335.12482	100.0
336.12775	7.4
343.13022	1.7
480.18637	0.7
549.39526	0.7
680.69666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.1
65.08778	0.6
69.56915	4.4
83.04906	1.3
91.15799	0.6
94.02876	2.8
108.04430	2.3
112.03243	0.5
112.51438	0.6
120.04424	0.6
121.05237	0.6
122.06017	9.8
124.03908	1.9
134.06003	2.1
135.06764	0.8
136.03975	4.3
136.07593	9.6
138.05489	1.5
144.04463	0.8
148.04018	0.7
150.05510	11.0
151.05840	0.6
152.07079	2.4
152.47249	0.6
159.11743	0.7
163.08664	0.7
174.09270	1.3
175.05008	0.8
176.03561	0.7
186.09160	4.1
187.11282	0.7
201.06502	2.7
202.07350	2.0
202.08945	1.0
202.12299	2.3
203.05742	0.9
212.10820	1.2
213.06459	0.6
214.07321	0.9
215.08075	3.3
216.08960	0.6
228.10333	3.0
229.09789	14.9
230.11995	8.8
231.11481	1.1
240.08818	0.5
242.10414	0.7
244.08501	0.8
245.09338	5.8
245.11699	0.7
245.12852	0.9
255.11411	3.6
257.09320	7.6
258.09921	2.2
263.10452	0.6
273.12460	22.5
274.13022	0.9
275.10397	2.5
299.10245	1.2
317.11411	18.2
318.11676	1.2
335.12485	100.0
336.12747	7.8
343.13184	1.2
523.49286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03543	1.5
57.03333	2.5
59.01252	40.4
65.99717	2.2
66.03325	2.1
69.03316	2.1
69.28951	18.1
71.01255	19.7
72.99202	2.5
73.02821	5.7
75.00752	2.1
83.01273	4.1
85.02822	13.3
87.00771	5.0
89.02324	7.0
93.03343	6.2
94.02869	3.2
95.01295	2.5
96.95877	12.1
97.02860	1.9
98.20617	3.1
99.00770	3.4
99.04410	3.1
99.79350	1.7
101.02313	12.4
108.04459	4.8
109.02861	6.0
109.62039	1.8
111.00773	3.3
111.04381	3.3
113.02340	9.6
115.00266	1.5
116.04970	1.7
119.03417	3.0
119.04902	2.3
120.04440	2.2
122.06038	5.5
124.03959	6.0
124.07562	2.0
125.02325	3.3
134.02386	6.8
134.06062	2.0
135.04431	9.1
136.03946	7.4
137.02345	3.6
138.05553	1.7
139.03958	2.1
149.05972	2.4
150.03188	2.0
150.05519	4.6
151.03946	4.2
152.01035	2.7
161.02350	4.2
165.05455	2.3
168.06609	2.1
173.04486	10.5
174.03209	2.1
177.01965	2.8
179.03462	3.1
191.05562	33.3
192.05901	3.3
198.00835	1.9
201.10373	2.2
203.10829	2.7
218.08046	1.7
229.09857	4.0
229.13541	2.2
253.09816	4.1
255.11528	2.2
267.11423	6.6
273.12430	2.1
283.10660	2.6
285.12445	2.9
301.11957	3.5
307.10611	2.2
309.11981	2.6
319.13007	14.7
335.12619	4.5
341.11520	2.4
346.12112	1.8
348.13806	2.3
357.04834	1.7
359.12717	3.4
373.10583	1.9
386.15305	2.5
388.12976	2.1
390.14557	2.0
392.12546	1.9
394.14041	5.6
398.15201	2.2
400.13019	2.4
404.16345	3.9
412.13110	4.8
414.14749	3.5
417.15714	2.1
430.13947	7.2
439.13394	1.9
440.14563	6.2
445.16446	10.3
448.15143	5.0
462.16635	2.1
475.28873	3.4
477.15622	3.1
489.15564	3.5
492.14182	3.5
517.29767	3.2
555.22339	3.0
561.24030	2.0
567.23102	4.3
585.23505	22.9
586.23395	6.4
587.23975	2.1
599.21222	11.5
603.24646	12.7
604.24780	3.0
611.21710	2.5
617.25983	12.5
619.33325	20.2
629.22479	54.4
630.22919	7.5
637.34387	18.8
647.23578	100.0
648.23834	16.7
661.25232	17.2
662.25476	2.8
679.25488	15.5
679.35852	6.3
680.26947	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81563	0.4
55.56955	0.4
59.00991	0.9
59.01254	6.7
67.01749	0.7
69.64263	3.4
71.01258	2.5
73.02808	1.0
78.95773	1.0
81.03358	0.5
83.01270	0.7
83.04877	0.9
85.02822	1.4
87.00786	0.9
89.02311	1.3
93.03319	1.0
94.02884	2.8
96.95866	0.6
96.96875	0.5
98.02352	0.5
98.19782	0.6
99.04390	0.8
101.02309	1.4
108.04419	2.8
109.02824	0.9
110.92300	0.4
111.00745	0.6
112.16331	0.5
113.02343	1.0
119.04904	0.9
120.04453	1.0
122.06008	10.1
123.06311	0.6
124.03920	1.4
124.07559	0.6
134.05991	2.1
135.04414	1.3
135.06735	0.7
136.03960	4.0
136.07584	10.3
138.05513	2.6
148.03990	0.6
150.05505	9.5
150.06612	0.9
151.00313	0.5
151.03801	0.5
152.07095	2.0
153.01772	0.6
159.11743	0.7
161.02394	0.6
162.05499	0.7
163.03874	0.6
163.08582	0.4
166.02655	0.5
173.04440	0.9
174.09122	1.2
177.05525	0.6
179.03383	0.6
184.07562	0.5
186.04265	0.7
186.09181	3.9
187.06403	0.5
187.09785	0.7
188.10750	0.5
189.05479	1.2
191.05545	3.7
201.06451	2.3
202.07268	1.5
202.08702	1.6
202.12306	2.0
203.05775	0.6
205.05038	0.8
212.10838	1.6
213.06679	0.8
214.07344	1.4
215.08167	3.2
216.08781	0.6
221.04453	0.4
227.03477	0.9
227.08240	0.6
228.10344	4.3
229.09770	16.1
230.11986	9.1
231.11539	1.2
240.08957	1.0
243.07753	0.6
243.11337	0.9
244.08524	1.3
244.12167	0.6
245.09268	4.7
245.12971	0.9
251.12862	0.9
255.02927	1.6
255.11296	3.9
257.09259	7.8
258.10007	1.8
259.10843	1.9
273.12445	23.6
274.13004	0.8
275.10303	2.7
284.03378	2.4
285.03586	0.5
290.12668	0.8
291.13422	0.5
299.10272	0.8
317.11398	21.6
318.11664	1.6
334.11819	3.4
335.12469	100.0
336.12769	6.9
343.12860	0.8
357.13660	0.6
367.10312	0.7
473.20099	0.9
579.27740	0.5
629.22852	0.7
635.16315	1.1
647.23981	0.9
679.26184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02998	0.6
59.01262	7.1
69.65089	5.1
71.01238	1.2
85.02810	0.8
89.02280	0.8
93.03361	0.9
94.02864	2.1
96.95881	0.7
98.02381	0.9
101.02309	1.2
108.04425	2.6
109.02804	0.9
119.04901	0.7
120.04461	1.4
122.06013	8.1
124.03946	1.1
133.52045	0.7
134.05962	1.3
135.04401	2.9
135.06860	0.7
136.03947	3.3
136.07579	8.7
138.05498	1.8
150.05511	8.3
151.00211	0.8
152.07059	1.6
156.82903	0.7
161.02376	0.8
173.04424	0.8
174.09123	1.1
176.03433	1.2
186.09203	3.4
188.03496	0.8
191.05620	2.7
201.06583	2.8
202.07330	2.1
202.08928	1.0
202.12372	1.8
203.05879	1.2
212.10725	1.5
215.08221	3.2
227.03453	4.5
228.10231	3.0
229.09798	13.3
230.12044	7.4
245.09344	4.1
245.12971	1.0
255.02930	9.3
255.11444	3.4
256.03223	0.9
257.09332	6.8
258.10031	2.0
259.10968	0.8
273.12454	20.0
274.39072	0.7
275.10483	1.7
284.03226	9.7
285.03983	2.4
317.11438	17.5
318.12033	1.0
334.11636	1.6
335.12497	100.0
336.12863	7.1
343.12891	1.4
517.17157	0.9
634.15332	0.8
635.16376	6.4
636.16699	1.6
647.23706	1.0
679.24030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01597	1.1
63.77769	1.0
69.26350	9.1
71.01257	23.5
73.02823	7.0
75.00723	1.3
78.95793	1.0
83.01264	2.9
85.02819	8.2
85.49596	0.9
89.02316	11.1
95.01286	1.2
96.96852	1.1
99.00761	2.3
100.39468	0.9
101.02325	15.8
113.02322	9.2
119.03394	2.9
136.07614	1.3
138.81050	0.9
143.03391	2.2
161.04475	12.3
176.34114	0.9
179.05515	4.4
191.05525	3.3
233.10281	3.9
251.11330	32.9
252.11707	1.3
277.11948	2.0
293.12430	35.1
294.12759	1.9
319.13101	1.5
337.15015	5.4
341.10806	19.2
345.84686	0.9
349.20663	0.9
358.39322	1.0
480.17245	1.0
647.62988	1.1
675.16156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60474	0.6
52.71259	0.7
53.55851	0.8
55.01759	0.7
59.01263	3.1
69.24313	5.9
69.24734	1.9
71.01247	2.1
79.05379	0.9
85.02797	1.1
87.00773	0.7
89.02348	0.7
94.77021	0.6
96.95911	0.9
98.19801	0.9
98.86900	0.6
101.02328	1.0
105.06990	8.2
107.04922	1.5
108.02029	0.8
109.02776	0.7
118.97894	0.7
121.02868	1.0
123.04416	19.0
132.98659	0.7
133.86830	0.7
134.03632	9.3
135.04427	16.8
137.02319	0.8
147.04460	1.0
149.05992	100.0
150.06400	4.0
161.06021	1.8
173.04498	1.2
175.07558	9.2
186.06746	0.9
187.07599	1.4
191.05560	3.4
193.08623	9.6
201.09155	40.2
202.09544	2.3
205.08640	12.2
205.10429	1.0
206.08841	0.7
219.10222	27.7
220.10606	1.8
273.12433	1.0
283.29822	0.9
285.11267	4.8
317.11517	0.8
329.22141	0.8
335.12466	3.6
337.14355	4.2
355.15500	67.9
356.15793	7.3
374.99207	0.7
448.80109	0.7
517.20825	71.5
518.21088	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69643	1.5
55.64190	1.7
57.46564	1.4
59.01251	54.8
67.01767	1.8
69.35642	14.9
71.01255	29.2
73.02862	2.6
78.95731	1.8
79.05399	3.0
85.02823	7.0
89.02321	29.5
91.05403	5.5
93.03340	3.5
96.95880	4.4
101.02333	20.3
107.04916	14.5
108.04420	2.2
113.02319	9.6
119.03391	15.2
121.02882	2.0
122.05999	3.2
123.04428	3.5
125.02219	1.5
130.08060	1.6
131.03349	2.7
133.02789	2.0
134.03625	1.9
135.04424	47.1
136.07610	4.4
138.05533	2.5
140.46144	1.6
143.03407	4.2
149.05988	6.0
150.05510	3.4
157.06534	2.3
159.04398	3.9
161.02359	21.0
161.04457	3.3
173.04471	2.0
175.07573	100.0
176.07959	4.0
177.01791	2.4
179.05580	5.9
189.09119	8.1
191.05597	6.5
193.08594	4.0
194.98079	1.7
201.09145	3.3
205.08810	1.8
219.06726	2.0
219.10252	6.7
229.09784	5.9
255.11217	2.6
257.09305	4.1
267.11090	2.1
273.12451	7.7
275.10333	2.1
277.09872	2.3
291.11368	4.1
292.12134	5.3
295.09799	2.0
301.95859	1.7
317.11465	6.2
319.09750	7.4
335.12555	31.3
337.10965	9.0
355.13959	39.1
356.14102	2.3
416.16257	2.0
473.23767	4.6
476.18295	4.9
499.16055	10.2
508.20959	4.9
517.17603	6.1
517.20715	7.1
522.18896	4.1
585.23560	3.7
603.24518	4.1
629.22424	4.2
647.23425	6.3
679.22058	16.9
680.23303	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.8
65.03828	6.7
66.15903	1.1
67.01737	4.7
70.09032	1.2
70.84977	1.1
71.44513	2.0
73.29903	1.0
79.05405	4.1
91.05425	6.9
93.03324	3.4
105.03362	1.5
107.04910	6.7
108.02061	1.3
109.02836	64.3
110.03142	1.9
119.04901	1.7
121.02840	11.2
123.04394	3.1
129.07016	1.9
131.04930	1.9
131.08574	4.1
133.02852	30.9
133.06480	3.1
135.04416	53.1
135.05444	2.8
136.04771	1.4
147.04379	2.1
147.08119	1.6
149.05966	3.1
151.03911	2.9
157.02811	6.5
158.44305	1.2
159.04446	3.0
161.02393	2.9
161.06010	1.3
165.05441	2.7
169.06500	2.3
173.04610	2.1
173.05968	8.5
175.03925	49.2
175.07570	25.3
176.04289	1.8
176.08040	1.4
179.03441	3.5
184.38640	1.2
191.05507	6.1
191.07092	3.8
193.04930	2.9
196.05208	4.7
197.05980	10.9
199.03923	20.6
199.07576	2.8
201.05504	4.8
201.09198	7.8
209.08086	3.7
211.03903	2.3
212.04749	1.2
215.07109	6.0
222.06705	1.7
225.05484	1.6
227.07034	7.6
233.08154	7.9
239.07072	2.9
241.05028	83.6
242.05359	5.8
251.07013	3.7
251.09224	20.3
253.05022	12.3
257.70178	1.4
259.09747	2.3
265.04935	2.0
267.06622	17.6
268.06891	1.5
277.05112	2.6
277.10687	4.0
279.06223	1.7
281.08228	1.6
291.06702	9.5
293.04581	2.8
293.08008	1.9
293.35483	1.3
295.06131	1.5
299.10886	1.4
305.08173	21.1
307.06158	2.9
307.09683	16.4
309.11322	1.7
317.08179	2.1
327.06628	2.1
327.12311	4.3
329.07919	1.3
329.54581	1.2
331.09814	4.3
333.11398	8.8
341.08313	2.5
343.09720	7.6
344.10687	1.3
349.10785	1.7
353.10492	3.5
357.07623	4.1
359.09198	19.0
360.09451	1.3
371.11362	3.2
383.12796	1.3
401.13837	3.3
409.06628	1.8
419.15060	12.4
420.15198	2.0
423.08865	3.3
427.11896	7.9
437.15872	6.5
439.11899	8.1
443.15115	12.5
451.12265	2.3
451.21362	1.9
457.10818	3.5
469.12921	8.1
469.22253	1.4
475.11859	5.7
481.12723	2.9
485.12390	4.4
493.13007	2.7
499.14023	3.9
503.13458	4.1
515.14893	2.6
515.38708	1.5
533.16016	3.8
534.16174	1.5
551.17163	11.7
569.18146	13.3
570.18372	1.7
585.15576	24.8
586.15948	4.9
603.16608	20.9
604.16876	3.8
643.19104	6.6
661.20740	19.3
662.21094	4.4
679.21814	100.0
679.40601	2.6
680.22192	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.4
63.99028	1.5
65.03844	7.1
65.57267	1.3
67.01747	4.4
69.27438	3.3
69.27846	13.9
79.05408	3.8
81.03327	2.0
85.02830	2.0
89.02280	1.3
91.05421	6.8
93.03357	3.6
97.63515	1.4
107.04902	6.4
109.02838	57.7
110.03158	2.1
119.04962	1.9
121.02825	10.4
123.04414	4.6
131.08560	2.5
133.02859	29.5
133.06418	1.7
133.19183	1.6
134.03200	2.1
135.04422	47.1
148.01534	2.0
149.05984	3.4
157.02876	6.9
159.04396	2.9
161.02266	1.7
165.05463	3.2
173.04622	2.1
173.05978	9.3
175.03925	47.0
175.07555	20.8
176.04282	1.8
179.03360	2.4
191.05530	4.8
191.06993	2.7
193.04919	2.0
196.05322	3.4
197.05989	7.9
199.03912	19.1
199.07600	1.7
201.05481	3.4
201.09190	8.0
203.13832	1.4
209.08098	6.2
215.07062	7.5
227.07083	7.9
233.08188	9.1
239.07112	2.5
241.05042	71.8
242.05396	4.5
251.06982	5.2
251.09235	19.8
253.05081	13.0
259.09561	2.4
265.05008	1.7
267.06589	16.6
277.04971	1.4
277.10870	4.1
291.06635	10.3
293.04547	2.2
293.08102	2.0
304.89694	1.3
305.08157	17.4
306.08618	1.7
307.06403	2.6
307.09720	17.2
317.08142	1.8
327.06491	2.3
327.12384	4.9
331.09650	4.7
333.07681	1.8
333.11359	5.5
341.08026	2.2
343.05994	2.2
343.09763	6.4
353.10275	3.0
357.07837	5.3
359.09225	19.1
360.09604	2.1
371.11545	1.9
401.14130	3.0
407.12204	1.7
409.07150	2.2
419.15097	13.4
423.08707	3.4
427.11945	6.8
431.98984	1.6
437.15982	7.1
439.11884	7.3
443.14941	13.1
463.11465	1.7
469.12790	10.1
475.11841	5.8
481.13437	1.5
485.12527	4.5
493.13019	4.2
499.13950	4.1
503.13440	2.5
515.14825	2.0
533.16052	6.2
551.17175	9.6
569.17944	10.6
570.18030	2.6
585.15619	26.0
586.15771	4.4
603.16534	19.7
604.16724	2.6
643.19983	7.5
661.20831	21.2
662.21063	4.9
679.21814	100.0
679.40485	3.4
680.22321	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.152
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
56.76792	0.6
59.01234	2.6
65.99773	0.6
68.70927	0.7
69.58349	2.8
69.58775	2.1
79.59010	0.6
82.41584	0.6
84.68700	0.6
91.55362	0.6
107.01252	1.8
117.03321	1.0
124.13338	0.6
132.02025	2.3
135.00826	1.6
136.07542	1.3
145.02849	1.8
147.50388	0.6
150.05539	1.2
151.00250	3.3
163.00266	0.7
178.99759	1.6
183.04399	1.7
187.03952	1.1
191.05518	1.9
199.03873	1.0
211.03995	1.9
215.08163	0.9
227.03459	45.6
228.03871	3.5
229.04971	1.2
229.09770	0.9
239.03580	1.0
255.02975	87.2
256.03534	9.2
257.04346	1.0
273.12473	1.9
283.02548	1.7
284.03278	100.0
285.03885	16.3
288.18915	0.7
317.11401	2.0
334.11920	0.9
335.12469	10.4
345.66946	0.8
420.69547	0.7
471.09363	1.3
635.16174	61.1
636.16571	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16297	1.1
59.01248	3.6
60.53877	1.2
65.03831	5.8
67.01749	3.9
67.68337	1.3
71.58688	1.8
80.02534	1.4
91.01764	4.0
93.03353	5.9
97.10130	1.4
108.02047	16.0
109.02841	40.4
109.03594	2.0
109.06445	2.9
110.03130	1.3
117.06987	1.4
121.02838	9.3
122.03646	6.7
135.00768	7.0
135.04425	8.6
137.02344	100.0
138.02670	2.8
143.04918	1.0
145.02887	2.2
145.14769	1.1
147.04420	1.2
153.01814	4.4
157.06441	2.6
159.04431	11.0
161.02347	2.5
161.05969	1.8
163.00243	4.7
165.01805	2.1
173.05936	1.4
174.42194	1.1
175.03873	1.7
175.07628	6.0
177.09125	33.8
181.06567	1.3
183.04378	1.4
185.05994	4.6
187.03960	12.8
201.05461	4.2
211.03944	16.8
221.08109	3.1
225.05516	7.5
227.03506	2.2
227.07079	18.9
228.07437	1.7
229.05003	13.0
237.05554	2.0
251.07074	2.5
253.05014	4.7
255.02974	1.7
255.06615	2.7
269.08133	2.4
273.04034	33.1
274.04312	2.2
277.05237	1.6
281.04602	2.9
286.48505	1.2
287.07156	1.6
291.19687	2.9
295.06082	2.1
295.09671	1.3
301.08691	4.5
303.06955	2.1
303.10239	6.1
305.08310	1.3
313.18030	1.4
314.05728	1.2
317.08350	2.9
319.09665	3.4
325.03540	2.1
329.08252	1.7
331.06125	4.1
345.07660	5.5
347.09244	24.4
348.09613	1.4
373.06827	1.9
379.28607	5.6
380.28802	3.1
384.69321	1.3
391.08240	42.2
392.08612	4.5
413.13925	3.7
457.12894	4.2
475.13831	2.9
483.11005	9.1
501.11874	68.3
502.12134	10.3
569.18140	3.9
604.36273	1.6
661.20544	10.4
662.20844	2.4
679.21796	20.4
679.40460	1.4
680.22156	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12374	0.3
53.91547	0.2
55.20555	0.4
55.92679	0.3
58.02854	0.4
59.01258	2.2
60.47166	0.3
71.01248	1.0
71.38161	0.4
71.38490	0.6
72.99143	0.3
73.02830	0.4
78.55253	0.3
78.99308	0.3
81.03333	8.0
83.04896	21.4
84.05236	0.6
85.02805	0.6
87.00754	0.3
89.02322	0.6
93.03359	0.4
96.95884	0.5
100.07533	0.5
101.02300	0.5
107.06065	0.6
108.04436	0.7
108.39861	0.3
113.02322	0.4
125.07088	1.1
126.05506	0.4
139.03839	0.3
143.08142	0.7
179.03398	0.3
184.34232	0.3
191.05576	1.0
207.14867	1.7
220.86655	0.3
224.17642	3.3
225.16048	13.1
226.16380	0.8
242.18686	0.7
268.16541	0.4
278.90363	0.3
309.21765	0.9
324.26590	0.6
333.23001	0.9
339.27512	0.3
341.29175	1.0
341.51428	0.3
351.32666	0.4
367.27005	0.9
393.31985	0.3
433.31827	1.1
450.34415	1.2
451.32861	5.8
452.33078	0.9
550.43396	0.4
559.39667	0.4
593.44263	1.0
626.71234	0.4
659.48199	1.0
677.49695	100.0
678.50043	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34256	0.8
53.76228	0.7
55.01757	1.1
57.03320	3.4
59.01257	7.7
67.01758	1.2
68.09805	0.7
69.03336	4.1
69.57762	0.7
69.59514	0.8
69.75855	1.7
69.76270	3.3
71.01248	6.1
73.02808	1.9
74.03172	0.7
80.14095	0.7
81.03335	1.7
83.04903	2.2
84.02044	1.8
85.02831	16.4
87.00768	2.1
89.02328	1.8
93.03339	8.2
95.04888	1.7
96.95901	2.7
97.02833	14.8
97.03422	0.8
97.06474	2.9
98.09488	0.7
101.02324	2.2
108.02060	1.8
109.02839	4.9
111.04409	3.5
113.02318	1.2
119.04939	0.8
119.08549	0.9
121.02867	2.0
123.04433	0.8
123.08021	0.9
124.01537	1.0
124.11909	0.9
125.02367	1.1
125.09587	3.6
127.03923	1.8
127.11211	1.4
133.02840	2.3
134.03636	4.6
135.04425	12.8
137.02330	3.3
137.09613	6.5
141.09146	0.7
146.03590	1.0
149.05991	2.7
150.03088	1.0
151.11247	1.0
153.12750	1.2
155.03391	3.3
155.10838	1.0
159.04442	2.4
161.02383	1.4
161.05922	4.7
162.10477	0.9
163.04094	1.0
163.11189	1.9
165.12752	14.1
170.27298	0.8
171.10178	25.6
172.05223	1.5
173.04486	12.5
173.05890	1.2
174.03040	1.2
174.06741	0.9
175.03859	1.2
178.02588	1.8
178.72064	0.7
179.03401	2.7
179.10512	1.2
183.13857	2.1
185.06001	2.1
185.11760	1.1
187.07585	2.4
189.05547	1.0
191.05533	37.4
191.06828	1.4
192.05734	1.8
193.08392	25.9
193.12106	1.9
194.08727	1.3
197.11830	1.4
199.07526	1.7
200.08295	1.1
201.11220	1.5
203.06926	1.0
203.10522	1.9
205.12054	2.3
207.09979	12.6
208.10309	1.0
209.07985	1.7
209.11794	2.5
211.07668	2.5
211.13333	14.3
213.05542	0.7
213.09132	5.3
215.10489	1.0
219.09943	5.0
221.11613	7.7
222.08659	2.7
223.09457	1.7
225.09259	1.8
226.09915	1.7
229.14413	10.6
231.09987	9.2
233.11552	67.8
234.11911	4.5
237.09254	1.3
239.12927	1.8
243.10153	1.6
247.09557	0.8
248.10284	2.3
249.11159	12.2
251.12848	18.6
252.12979	0.8
255.13815	3.2
261.11063	12.9
262.11163	1.1
279.11453	0.8
291.19739	2.3
309.20581	1.1
313.18002	4.0
327.21753	100.0
328.22095	9.0
331.18854	8.4
349.19946	90.0
350.20367	7.7
352.07980	2.5
359.91754	0.8
391.23071	4.1
393.19141	1.9
409.23758	3.9
427.24860	30.1
428.25259	5.6
438.59296	0.8
441.22729	1.7
459.24066	1.7
467.20535	1.5
471.23804	6.7
485.12802	1.1
485.21930	2.5
503.23019	1.4
553.24921	1.0
645.29559	8.2
646.29449	2.5
677.28839	3.2
677.42059	10.5
678.41864	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
57.03318	1.1
58.00465	2.1
59.01252	43.2
60.01601	0.4
66.93849	0.3
68.99691	0.4
69.03322	2.6
71.01254	37.6
72.01598	0.6
72.99178	3.3
73.02817	5.6
75.00757	1.0
81.03345	2.0
83.01260	4.0
84.75911	0.3
85.02825	7.8
87.00753	9.2
89.02318	31.6
90.02656	0.5
91.03880	0.8
95.01247	1.9
97.02834	6.8
98.03168	0.4
99.00748	2.2
101.02324	28.8
102.02686	0.7
103.03922	0.5
109.02852	0.6
111.00786	1.0
111.04394	1.1
113.02331	15.5
114.02727	0.3
115.03915	1.0
115.91998	0.4
119.03393	10.6
121.02870	0.4
123.00712	0.4
124.01568	0.4
125.02343	13.1
127.03922	0.7
131.03427	1.5
133.04970	1.0
139.03912	1.1
141.01822	0.5
141.39690	0.4
143.02341	0.6
143.03413	6.5
149.02338	0.6
149.04492	1.0
151.03951	0.3
157.33675	0.3
161.04466	7.4
167.03380	0.5
171.02832	0.4
179.05515	7.1
179.60953	0.3
185.04509	0.4
186.72188	0.3
199.06175	0.6
203.05563	0.4
217.07120	0.9
219.04965	0.5
219.26685	0.4
221.06621	2.5
235.08200	13.6
236.08575	0.4
245.06648	1.1
250.04619	0.3
253.09236	3.5
263.07776	1.4
277.09262	1.3
279.23291	100.0
280.23651	8.1
287.07706	3.1
293.24905	0.4
305.08810	3.0
306.09262	0.3
323.09805	1.2
361.11600	0.4
379.12399	1.1
397.13495	68.8
398.13831	4.5
415.14578	31.2
415.71799	0.4
416.14932	2.1
581.56165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03319	1.1
58.00458	1.8
59.01253	42.0
60.01554	0.5
67.51460	0.5
68.99672	0.7
69.03321	2.2
70.26575	2.1
71.01254	34.8
72.01579	0.5
72.54041	0.5
72.99168	2.1
73.02821	5.1
75.00739	1.2
78.64178	0.5
81.03310	1.2
83.01265	4.2
85.02822	6.0
87.00751	9.0
89.02319	29.8
90.29563	0.5
91.03928	0.8
95.01264	2.1
97.02846	4.9
99.00748	1.4
101.02324	27.5
109.02840	0.7
111.04359	0.9
113.02325	14.7
119.03383	9.6
121.02791	0.9
125.02342	12.6
129.17946	0.5
131.03397	1.6
133.04951	0.9
139.03896	0.9
141.01828	0.5
143.03410	5.3
143.11069	0.5
149.04396	0.7
161.04472	7.9
162.04750	0.6
167.03429	0.6
169.04976	0.8
171.02759	0.6
179.05547	5.8
200.32698	0.5
203.05467	0.9
217.07164	1.4
221.06621	2.1
227.05392	0.5
235.08202	13.1
253.09354	3.4
258.01990	0.5
258.15915	0.5
263.07651	1.9
277.09299	1.1
279.23288	100.0
280.23666	8.4
287.07764	2.8
305.08743	3.8
323.09848	2.1
332.17026	0.5
372.11618	0.5
379.12302	0.7
397.13504	68.3
398.13876	5.5
398.64841	0.5
415.14557	30.5
416.14899	2.3
595.28387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
59.01255	8.1
60.99163	1.0
67.01764	6.1
69.03324	2.1
71.01244	6.8
71.58749	1.1
72.99171	1.2
73.02824	1.7
75.00715	0.6
81.03341	1.6
83.01231	0.7
83.04885	1.6
84.04823	0.6
85.02835	9.3
87.00764	2.8
93.03339	37.7
94.03639	1.1
95.01289	0.7
96.95881	1.7
101.02309	1.9
108.02032	2.2
109.02844	5.7
109.06474	0.8
111.00773	1.8
111.04412	7.4
113.02304	1.0
119.04902	0.7
119.26366	0.7
121.02837	1.2
122.03625	2.2
123.04494	0.8
124.01485	0.8
125.02313	1.1
127.03897	3.0
133.02872	1.9
134.03644	6.2
135.04414	17.3
137.02354	7.9
147.04427	0.9
149.06001	2.5
151.03896	2.0
153.01837	0.9
155.03407	6.0
159.04462	2.3
161.02400	1.5
161.05983	1.3
171.02721	0.6
171.10159	1.2
173.04475	100.0
174.04823	4.3
174.06775	0.8
178.02660	4.0
179.03412	4.4
185.05988	2.4
187.07550	3.3
191.05544	83.4
192.05829	3.1
197.06140	0.8
199.03967	0.9
199.07658	1.4
200.08347	1.2
211.07634	3.2
213.09113	4.7
225.09207	2.4
226.09883	2.3
237.09178	1.2
245.92134	0.6
246.55235	0.6
255.13919	5.3
307.08298	0.8
308.08975	2.1
331.18964	1.0
349.20132	0.7
352.08023	6.1
353.08609	1.0
391.22705	5.7
392.23010	1.1
409.23914	5.6
427.24850	46.0
428.25262	6.2
453.22876	1.9
471.23865	15.1
472.24213	2.1
485.25540	1.6
503.22565	1.1
645.29138	21.5
645.39868	1.1
646.29364	4.8
677.17456	0.8
677.28290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42093	0.3
57.03323	0.8
58.39849	0.3
59.01248	2.4
67.01749	1.0
69.03314	0.7
70.97844	0.3
71.01268	1.6
73.02838	0.5
81.03355	0.7
83.04905	0.6
85.02823	10.7
87.00758	2.8
89.02308	0.3
93.03338	8.0
94.03604	0.3
95.28858	0.3
95.69738	0.3
96.95934	0.3
97.02814	0.7
97.79617	0.3
99.04366	0.6
109.02860	1.7
111.04375	1.7
113.02321	0.3
121.02834	0.4
124.01593	0.5
125.02362	1.6
127.03922	2.7
133.02867	0.3
134.03607	0.6
135.04424	7.0
137.02382	0.5
143.03349	0.4
149.06010	0.4
150.03160	0.3
151.04019	0.7
153.96162	0.3
155.03427	0.8
159.04431	0.3
161.02449	0.3
170.91586	0.3
171.02881	1.0
171.10184	0.3
173.04453	4.5
177.24300	0.3
179.03413	1.3
185.06021	0.3
191.05540	100.0
192.05930	3.5
193.08463	0.5
211.07520	0.4
220.96207	0.3
225.09074	0.5
233.11609	0.4
255.13806	0.4
262.19785	0.3
307.08212	0.4
308.08954	1.0
327.21771	1.1
341.95123	0.3
349.19882	0.9
352.07980	1.2
353.08939	0.3
409.23721	0.5
427.24905	1.7
429.91687	0.3
453.22672	2.2
454.22546	0.3
471.24078	0.4
503.22470	0.4
595.72491	0.4
645.29175	16.9
646.29541	4.1
653.51709	0.3
677.20166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01251	1.6
60.99179	0.2
67.01746	1.0
69.03310	0.5
70.60957	0.6
71.01253	1.4
72.99154	0.2
73.02815	0.3
81.03328	0.4
83.04900	0.7
85.02824	10.8
87.00759	3.0
93.03336	8.5
94.03690	0.2
95.01269	0.3
99.00735	0.3
99.04393	0.4
108.02084	0.4
109.02841	1.4
111.04400	1.5
121.02869	0.4
122.03635	0.5
124.01567	0.6
125.02356	0.4
127.03909	2.7
132.02094	0.3
133.02849	0.3
134.03630	0.8
135.04417	10.1
136.04779	0.4
137.02386	0.4
149.05983	0.4
150.03120	0.5
151.03917	1.0
155.03368	0.5
159.04379	0.3
160.01593	0.2
161.02348	0.5
171.02885	0.8
173.04474	2.9
179.03403	2.1
180.03998	0.2
187.07513	0.3
191.05537	100.0
192.05905	3.6
201.15424	0.2
213.09138	0.5
225.09241	0.2
255.13885	0.6
281.12033	0.2
307.08258	0.6
308.08990	1.5
314.78827	0.2
317.42133	0.2
352.07877	1.7
353.08359	0.3
391.22571	0.5
396.23697	0.2
409.23810	0.5
427.24707	1.0
453.22818	2.8
454.22684	0.4
471.23969	0.5
645.29156	18.6
646.29510	3.6
677.32043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77181	2.9
58.71597	2.9
69.22411	31.1
69.22834	5.6
72.52260	2.7
85.02814	6.5
93.03289	3.5
98.19730	6.5
103.80078	3.0
103.82183	3.3
109.02834	4.2
126.17385	2.7
129.52368	3.2
135.04404	2.8
173.04498	3.1
179.03394	2.8
191.05554	100.0
233.91219	2.9
273.02130	2.8
353.08716	12.5
400.15280	3.0
402.74146	3.0
407.73792	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.8
62.32290	1.6
66.10149	1.3
67.41025	1.6
71.01256	13.2
71.58505	2.2
71.58888	1.5
72.99175	1.8
73.02823	2.2
75.20509	1.7
77.94688	1.8
80.04945	2.7
82.02853	4.3
82.27494	1.5
83.01259	2.1
83.04915	2.2
85.02831	7.4
87.00771	3.8
89.02325	6.8
93.03341	5.7
94.02264	2.2
94.02862	40.2
94.06530	4.4
96.04428	2.8
96.95893	31.7
99.00765	1.9
99.04424	2.1
101.02325	11.3
102.86823	1.3
103.03915	2.1
104.04977	1.5
105.05680	1.5
106.06530	3.6
107.03664	5.4
108.04422	1.9
109.02860	3.7
110.06042	1.6
110.54712	1.5
111.00747	4.4
113.02340	4.5
119.03403	1.8
119.04929	7.0
120.05244	2.5
120.08083	30.9
121.02804	1.6
122.06011	40.8
123.06441	1.8
124.07553	3.7
125.02340	2.5
127.03862	1.6
131.39088	1.6
132.04471	4.4
133.02908	2.0
134.05997	7.8
135.04448	5.2
137.02336	2.4
138.05504	19.9
139.02695	2.5
142.47552	1.7
152.01086	2.1
152.07083	100.0
153.01910	2.2
153.07404	3.9
159.04366	1.9
159.44302	2.2
160.03972	2.3
161.02368	2.8
161.04556	3.2
164.07112	2.2
165.05479	1.8
173.04523	10.0
173.05826	1.7
177.01859	5.8
177.05585	1.8
179.03445	2.7
189.09129	3.7
190.05026	6.2
190.09442	1.8
191.05528	19.2
191.07083	2.0
223.08711	10.4
224.09402	5.3
225.10274	4.6
235.12239	2.1
237.10327	14.3
238.11147	3.0
239.11864	11.0
245.12901	4.6
249.10368	3.1
251.08176	3.9
251.11908	7.2
252.08748	2.0
252.12561	1.9
253.13618	2.5
257.12939	4.7
263.08377	8.3
263.10901	1.5
264.09000	11.1
265.09683	9.5
267.11365	2.8
276.09076	2.3
277.09750	6.5
278.10522	7.2
279.11386	44.1
280.11887	7.2
281.12799	3.2
291.11331	11.5
291.14178	1.7
292.11969	5.0
295.10947	5.8
296.11179	2.3
297.11981	2.1
301.11884	3.4
305.09311	2.7
311.14108	1.6
313.11703	2.9
321.79434	1.7
322.09470	2.0
323.10190	9.7
324.11069	6.5
325.11737	3.9
326.12527	1.8
333.14700	3.6
334.15533	2.6
339.09866	1.7
342.11960	2.4
355.13037	4.3
356.13947	1.9
371.11328	4.5
372.17133	1.9
374.18503	2.1
376.16446	4.0
388.16776	3.0
389.17444	2.9
402.18414	8.6
404.19806	3.0
412.16687	1.8
416.15491	2.8
416.20316	2.7
430.17917	2.1
444.19373	11.5
445.20062	3.9
448.18640	4.3
461.19321	3.6
462.20215	5.7
471.17181	2.9
488.18307	23.8
489.19025	18.1
490.19476	2.6
508.20480	1.6
520.20868	44.2
521.21307	6.0
541.25470	8.0
583.25732	12.3
583.92377	1.8
584.25989	2.2
585.23700	25.0
586.24103	3.4
601.24548	4.7
617.26050	20.9
618.26270	4.3
627.24451	28.6
628.24841	6.4
645.25647	81.8
646.25916	15.9
659.27295	12.4
660.27753	3.4
677.27838	17.2
678.28235	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84048	0.8
55.01773	0.8
57.03331	1.0
59.01251	10.4
61.98713	1.6
67.01766	2.9
69.03328	1.5
69.28179	1.3
69.28585	7.8
71.01260	7.9
72.99201	0.8
73.02819	2.0
81.03334	1.1
83.01277	1.3
83.04893	2.0
85.02812	9.6
85.03214	0.9
87.00759	3.5
89.02323	3.2
93.03342	20.2
96.95896	11.7
99.04372	1.0
101.02332	2.5
107.04928	1.4
108.04453	1.6
109.02840	3.0
111.00786	1.8
111.04404	8.2
113.02348	2.6
116.92741	1.9
119.03411	1.0
119.04966	0.9
122.05988	1.0
122.40577	0.8
125.02337	1.3
127.03889	3.3
133.02885	6.3
134.03629	3.0
134.06030	1.1
135.04417	58.3
136.04781	2.2
137.02309	6.4
147.03188	1.9
149.02264	0.8
155.03406	10.3
159.04350	1.2
161.02345	24.4
162.02689	1.4
162.05508	4.2
163.03851	1.3
173.04477	72.8
174.04829	2.2
177.01772	1.1
179.03426	59.9
180.03781	2.4
187.07608	1.3
191.05544	63.4
192.05898	2.8
199.03854	1.1
203.03467	2.3
209.11777	2.3
228.07855	1.0
231.06335	0.9
239.10805	1.0
255.06552	1.2
299.05725	1.0
313.10745	2.5
335.07736	9.3
335.12720	1.5
353.08780	45.0
354.09052	2.9
405.20810	1.3
423.21771	2.3
427.13342	1.4
441.22971	3.3
447.71301	0.9
459.24002	1.1
467.20508	2.8
485.13486	0.9
485.21780	7.2
515.11957	100.0
516.05151	1.5
516.12311	12.8
522.18488	1.9
644.24432	1.4
645.25140	1.0
677.15125	1.6
677.26422	3.3
677.37360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43884	1.0
59.01252	100.0
60.01577	1.1
61.06300	1.0
71.01240	1.7
71.57900	1.5
78.95776	1.8
87.32853	0.9
94.96558	0.9
100.05321	0.9
121.94915	1.1
123.08079	1.1
125.09660	1.2
128.85840	0.9
132.22180	0.9
134.28535	0.9
152.99420	1.2
187.09572	1.2
199.13318	3.1
227.12897	1.9
245.19093	1.5
277.21695	2.4
289.18057	17.0
290.18506	2.0
307.19159	25.1
308.19513	2.2
309.20764	1.9
325.20065	1.2
397.13565	2.0
597.37524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88074	0.3
59.01250	100.0
60.01592	0.6
70.07175	0.4
70.18961	2.1
71.01263	0.6
78.95815	0.4
89.02327	0.7
90.00153	0.4
101.02367	0.5
102.17252	0.5
102.85269	0.4
150.19881	0.4
152.99590	0.5
181.69092	0.4
236.30894	0.4
245.27228	0.4
277.21893	1.3
397.13934	0.7
511.33557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06984	1.2
57.03326	1.9
58.38268	1.3
58.97809	1.1
59.01238	9.7
69.03312	1.4
71.01248	14.5
71.58330	2.1
73.02817	2.3
78.95767	4.7
85.02805	2.3
87.00801	2.5
88.86309	1.2
89.02325	3.5
90.93203	2.4
93.03328	3.1
94.86303	1.2
95.01271	1.8
96.64819	1.1
97.02824	2.1
101.02321	4.7
106.92747	1.5
109.02838	2.5
113.02312	2.3
119.03381	1.5
123.04402	1.8
123.08015	1.6
125.02345	3.8
125.09660	1.8
129.18207	1.4
135.04391	4.7
137.09602	1.7
141.09073	2.3
143.03409	1.7
152.99539	2.5
161.04359	1.3
165.01575	2.4
171.10165	2.9
173.04433	2.6
179.03407	2.1
179.05388	1.5
191.05492	7.2
193.08424	8.2
199.13359	2.8
209.07854	3.6
221.07870	4.2
221.11552	10.1
222.08687	61.0
223.09454	28.9
224.09824	1.4
227.69237	1.2
231.01640	1.4
233.11742	1.7
235.08060	2.5
245.18944	1.7
248.10323	1.6
253.09303	2.0
254.07671	5.7
258.05072	2.6
259.09381	4.8
260.10226	10.7
261.10846	2.8
262.11615	2.1
265.42697	1.2
277.21692	15.2
278.21933	1.6
289.18137	7.2
291.19568	1.5
301.17737	1.6
307.19138	15.6
309.20786	6.4
310.20868	1.7
313.17584	2.7
329.17322	18.2
330.17633	1.7
331.18903	100.0
332.19266	9.1
335.91946	1.3
363.12308	1.7
365.15244	16.8
366.15201	1.8
367.15927	2.8
375.17889	1.7
397.13354	7.1
415.14621	4.6
625.11530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03315	2.3
58.00470	2.7
59.01252	42.6
67.01775	1.9
69.03330	3.8
71.01255	39.4
71.57816	1.4
72.99185	3.3
73.02813	6.8
75.00748	1.4
78.95782	4.1
81.03339	2.9
83.01256	6.0
83.04896	0.8
85.02818	11.9
87.00753	20.3
87.04419	0.9
89.02318	28.0
91.03896	1.4
93.03349	6.0
95.01278	5.1
96.95909	1.1
97.02823	13.1
99.00755	2.4
99.04378	0.9
101.02325	33.3
109.02828	2.4
111.00736	1.2
111.04412	1.7
113.02332	19.0
113.03066	1.6
113.50880	0.7
119.03385	9.0
121.02873	1.4
121.06345	0.9
123.04417	2.5
123.08108	1.0
124.01595	1.4
125.02338	20.1
125.09601	1.7
125.99244	1.3
127.41311	0.8
131.03412	1.0
133.02896	1.2
135.04420	7.7
137.02344	1.3
141.09134	1.4
143.03397	8.1
149.04512	1.1
151.03972	1.6
152.99535	2.9
153.12704	1.0
161.02390	1.4
161.04463	8.6
165.01590	1.3
173.04468	6.3
178.02484	1.4
179.03444	2.6
179.05551	7.7
181.08450	1.1
183.10017	0.8
191.05521	10.7
193.08478	6.2
199.13377	2.6
209.07858	2.1
212.21172	0.8
217.07036	1.0
221.06328	1.0
221.08145	1.2
221.11523	7.1
222.08688	31.1
222.11943	1.4
223.09477	14.8
235.08188	23.1
245.19115	1.9
253.09282	8.1
254.07732	2.5
258.05118	2.9
259.09531	2.2
260.10242	9.0
261.11090	4.8
262.11856	12.0
263.07773	1.9
263.12253	1.1
269.08014	1.1
275.20026	1.2
277.21722	100.0
278.21988	8.8
287.07755	5.7
289.18137	7.1
291.19586	1.6
294.10904	1.6
305.08752	5.7
307.19122	13.6
308.08768	1.1
308.19467	1.5
309.20721	5.2
323.09784	2.2
329.17352	13.9
330.17651	2.6
331.18900	65.7
332.19162	4.9
352.07938	1.0
365.14935	11.1
367.14767	5.3
375.17984	1.1
397.13501	42.6
398.13873	2.5
415.14566	45.2
416.14890	4.9
593.27411	1.9
601.45618	1.1
675.30847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33525	0.6
51.60876	0.7
55.01747	2.2
57.03314	1.8
58.00454	2.7
59.01250	61.2
60.01582	0.8
66.45609	0.5
69.03329	3.1
71.01253	46.3
72.01616	0.9
72.99173	2.9
73.02825	8.1
75.00735	0.9
76.86684	0.6
81.03326	2.5
83.01256	6.2
83.04899	0.6
85.02827	8.9
87.00745	9.3
89.02317	38.6
95.01252	2.4
97.02832	7.0
99.00722	2.2
101.02323	34.6
101.17278	0.6
102.02701	0.8
109.02842	0.7
111.04382	1.7
113.02328	15.7
115.03857	0.9
119.03387	10.2
120.22267	0.6
121.02852	1.0
125.02341	14.8
127.03886	0.7
131.03377	1.6
133.04942	1.8
139.03937	0.9
143.03421	5.8
149.04478	1.1
161.04449	7.3
167.03377	0.6
169.04968	0.7
179.05547	6.3
185.04414	0.6
203.05632	0.6
217.07178	1.0
221.06641	3.5
235.08206	13.8
245.06769	0.7
253.09236	3.4
263.07663	1.5
277.21713	100.0
278.22028	8.2
287.07816	2.2
305.08914	3.2
323.09814	1.5
386.40067	0.6
397.13492	58.1
398.13605	4.4
415.14584	27.9
416.14810	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.4
57.03319	1.3
58.00457	2.6
59.01250	58.5
68.99671	0.7
69.03328	3.4
71.01251	42.8
72.99187	3.3
73.02826	6.3
81.03323	1.4
83.01267	5.0
85.02818	10.8
87.00752	12.2
89.02319	36.9
91.03843	0.8
95.01263	3.7
97.01881	0.8
97.02832	8.5
99.00755	2.9
101.02317	32.5
102.09814	0.6
109.02837	1.0
110.00865	0.7
111.04368	1.0
113.02328	16.4
115.03847	1.1
117.14361	0.7
119.03395	13.0
120.77592	0.6
123.00735	0.9
125.02351	13.7
126.02651	0.6
131.03383	2.3
133.04962	1.0
136.71440	0.8
139.03905	0.7
139.39096	0.6
141.01865	0.6
143.03383	8.7
149.04477	1.7
161.04466	9.7
167.03401	1.5
179.05553	8.4
185.04472	1.0
199.06113	0.7
217.07074	1.0
220.63414	0.7
221.06599	2.8
235.08212	17.0
236.08488	0.9
245.06653	1.0
253.09270	5.3
263.07654	1.9
277.21713	100.0
278.22067	8.0
287.07742	3.5
305.08777	4.0
323.09811	2.5
361.11508	0.9
379.12411	1.7
397.13464	79.1
398.13849	7.0
415.14575	37.6
416.14743	3.9
479.03824	0.9
649.36774	0.7
701.41241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09253	0.4
56.99074	0.5
59.01254	5.6
60.99191	0.4
63.08893	0.4
67.01751	1.5
67.93382	0.5
69.03310	0.7
71.01268	2.7
71.37984	0.5
71.58411	0.9
73.02814	1.1
78.95758	1.0
83.01214	0.5
83.04899	0.9
85.02827	12.4
87.00759	3.1
89.02306	0.9
93.03344	8.9
96.95900	1.7
99.04390	0.6
101.02325	1.2
105.60172	0.5
109.02855	2.4
111.04427	2.7
125.09644	0.5
127.03922	2.9
133.02859	2.8
134.03609	0.8
135.04424	7.0
137.02347	1.7
148.28671	0.5
148.60286	0.5
150.03331	0.4
152.99425	0.9
155.03433	0.7
159.04437	1.1
161.02310	4.1
163.50746	0.4
171.00467	0.5
171.02895	0.9
171.10170	1.1
173.04477	8.5
174.03188	0.9
177.01880	1.6
178.02599	0.8
179.03397	3.3
183.13853	0.5
184.05188	0.5
185.06064	0.7
187.03929	0.6
187.07541	0.5
191.05544	100.0
192.05873	3.5
193.08351	1.1
197.05942	0.5
199.03941	4.2
200.04620	0.5
209.11836	1.5
211.13547	0.7
213.05627	0.5
213.11221	0.4
215.05580	0.6
219.10056	0.5
225.05530	0.5
227.03502	1.1
227.10667	2.2
229.08583	0.7
229.14467	0.5
237.82405	0.7
240.04202	0.5
253.04994	1.3
265.09293	0.5
269.08167	0.5
271.09750	1.3
327.21729	0.9
341.50140	0.5
351.07190	1.5
352.07697	0.5
353.08871	1.9
381.13565	1.1
382.13846	0.6
383.14792	0.7
407.22369	1.0
413.16193	1.4
414.16797	2.1
423.21982	0.7
425.23477	1.1
439.25183	3.0
441.22754	2.7
451.21283	2.5
457.26111	1.7
483.24130	30.2
484.24466	4.7
643.26941	0.6
657.25751	0.7
675.26160	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.1
57.03279	1.8
58.00449	1.8
59.01250	38.3
66.94011	1.4
69.03333	2.6
71.01255	33.0
71.57358	2.8
72.99200	3.0
73.02831	5.1
78.95776	53.4
82.27505	1.8
83.01266	2.2
85.02824	9.0
87.00758	10.6
89.02317	29.0
93.03341	6.3
95.01270	2.0
96.95898	1.8
96.96847	9.3
97.02837	6.9
99.00786	2.1
101.02329	27.6
111.48895	1.5
113.02327	14.2
119.03409	7.3
124.01584	2.0
125.02320	11.3
130.05994	1.4
131.03416	2.4
135.04414	16.8
141.49155	1.5
143.03394	4.7
152.99492	66.0
160.01590	1.7
161.02411	1.7
161.04500	5.4
173.04547	8.3
173.05823	2.0
178.95976	3.3
179.03447	4.3
179.05576	6.0
191.05537	17.2
217.25188	1.5
221.06613	2.6
223.00084	7.9
235.08228	11.1
236.48576	1.7
241.01112	18.3
253.09206	4.4
255.83253	1.9
259.20743	1.7
277.21722	100.0
278.22046	9.0
287.07565	2.8
305.08627	2.7
315.04901	8.5
352.07642	2.6
355.02841	3.3
397.13446	44.8
398.13516	2.9
415.14523	25.1
483.23560	2.5
513.28516	6.7
593.27295	81.5
594.27490	12.6
675.34766	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56155	0.9
55.01753	0.9
56.83275	0.7
59.01252	18.8
65.02538	0.8
67.01738	0.8
69.25791	6.8
69.26206	2.0
71.01254	17.9
71.56934	0.9
72.99168	1.2
73.02825	3.1
74.93887	0.8
76.45136	0.7
77.72712	0.7
81.03297	1.0
83.01273	3.1
85.02825	9.2
87.00768	2.6
89.02321	5.8
93.03343	5.8
95.01257	1.3
96.95885	9.6
97.02843	1.2
99.00746	1.6
101.02325	11.2
107.04896	5.3
109.02847	1.4
111.04446	1.3
113.02330	10.8
119.03462	2.5
119.04913	91.9
120.05280	2.9
121.02856	1.2
122.06023	2.5
125.02332	3.2
127.03830	0.9
131.03523	0.8
134.03629	2.2
135.04451	4.0
137.02344	1.7
143.03424	2.8
148.05211	1.7
152.07007	1.9
153.01810	0.9
159.04445	1.1
161.04489	5.8
162.03055	0.9
166.02600	2.0
173.04497	3.0
173.06001	2.3
174.06775	1.4
177.01898	1.1
178.99742	1.1
179.03331	1.3
189.09135	100.0
190.09456	5.1
191.05528	18.7
192.05931	1.1
203.10699	9.9
209.11841	1.7
211.13412	1.1
218.34540	0.8
221.06699	2.3
255.11324	0.8
301.12183	1.0
309.14957	63.6
310.15390	7.3
471.20749	1.2
483.20032	2.0
504.17590	1.1
513.21887	1.3
519.18384	1.1
599.24951	2.5
615.24591	1.9
633.15796	1.6
633.25537	15.2
633.35052	1.5
634.25677	2.5
643.23853	2.4
675.26447	15.7
675.36884	1.4
676.26758	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.6
69.35040	1.7
69.35450	8.4
80.04929	8.2
82.07706	0.8
83.04887	1.2
94.02860	3.1
94.06480	2.9
95.97622	1.0
96.95861	1.7
100.70350	0.9
104.04939	3.7
106.06489	3.6
107.03641	5.9
108.04430	3.2
108.08004	1.1
111.00760	1.1
120.08065	2.7
121.05232	1.3
122.06008	33.7
124.03952	5.6
124.07563	1.0
132.04433	3.0
134.06026	8.1
136.03967	6.6
137.04692	2.3
138.05487	5.8
139.02629	1.6
147.05547	2.7
148.03923	2.2
149.04590	1.0
150.05516	15.8
152.07079	48.7
153.07385	1.2
160.03943	2.3
161.03447	1.7
161.04698	1.8
162.05508	1.5
168.06631	1.6
174.05562	4.7
175.05032	3.6
176.03490	1.5
176.05724	1.4
186.12814	1.1
189.15327	1.0
190.04979	4.5
191.05476	3.3
197.07098	1.1
201.10263	18.0
211.08685	2.4
213.10251	9.5
215.11873	1.6
217.09875	1.7
223.08705	2.1
225.10335	1.4
227.11830	6.2
229.09790	24.8
229.13263	7.9
237.10419	1.8
239.11876	9.2
241.09746	3.5
243.11211	1.1
245.12891	11.5
247.10878	3.7
249.10202	1.2
255.11285	6.8
257.12936	7.0
265.09808	2.5
267.11261	3.1
273.12415	6.3
279.11600	1.1
285.12341	1.1
289.11963	5.7
290.12769	1.0
291.11490	1.0
295.10916	4.4
301.11911	22.5
302.12280	2.6
304.14633	1.2
309.12427	2.7
313.11911	8.1
319.12982	100.0
320.13297	9.7
323.10324	10.4
325.11902	3.3
327.13348	5.6
330.12515	2.3
331.13245	1.7
332.14047	2.1
339.09927	1.3
341.11224	1.3
344.10458	1.2
344.14014	1.4
346.11935	2.0
355.13052	7.6
356.13846	1.2
358.12076	1.3
359.12579	2.7
360.13077	1.2
362.15030	1.4
372.13425	2.8
373.14355	1.5
374.15060	14.3
375.15234	1.8
388.16412	1.1
391.15323	4.3
392.16119	14.3
393.16617	1.3
400.12720	1.7
401.13553	1.5
403.15103	2.8
404.16208	1.2
416.16266	6.8
418.14072	2.3
428.15973	1.9
434.17166	8.5
446.17291	3.6
531.26147	2.7
539.22900	4.6
555.25598	1.8
557.24109	22.5
558.24384	4.5
571.24994	1.3
575.24976	2.8
581.24030	8.1
582.24457	1.7
599.25116	83.9
600.16473	1.5
600.25452	16.4
602.23853	4.1
603.23859	1.8
615.24542	1.7
625.23138	1.4
631.27740	1.8
643.24091	97.5
644.24512	19.7
675.26563	25.5
675.36981	2.1
676.27051	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.0
58.65895	1.8
59.01251	23.3
71.01260	8.2
73.02820	4.9
80.04932	7.6
85.02815	3.7
86.44464	2.0
87.00757	2.6
87.01519	1.8
89.02332	5.4
90.01179	1.8
93.03353	1.9
94.02868	3.7
94.06483	1.9
96.95898	6.0
99.00772	2.3
101.02316	5.7
104.04945	2.9
107.03639	4.8
108.02080	4.1
108.04435	3.5
109.02843	4.9
111.00780	3.6
111.04515	1.7
113.02314	5.4
121.02895	2.1
122.06015	34.1
124.03934	3.5
125.02319	3.2
134.06039	5.2
135.04434	6.2
136.03952	8.7
136.07579	2.4
137.02333	3.6
138.05518	3.7
147.05553	3.1
148.03979	3.4
150.05522	11.3
152.07085	49.2
153.01788	4.5
160.03955	2.3
161.04645	2.1
173.04573	4.0
174.05615	5.0
177.01897	2.3
177.05559	1.9
179.05611	2.6
190.05148	2.7
191.05539	17.5
201.10295	12.3
202.12314	3.0
213.10265	5.4
223.08736	2.3
227.11784	7.1
229.09782	19.2
229.13460	6.3
230.10233	2.9
237.10260	4.2
239.11870	6.8
245.12886	12.7
247.10826	7.0
249.10225	2.3
251.08066	2.5
255.11388	9.3
259.10898	3.7
260.20877	1.9
267.11389	2.9
273.12454	4.4
274.12827	2.1
275.13998	7.4
289.12103	4.3
297.12372	2.8
301.12070	11.2
309.12646	2.5
313.11893	7.9
319.12982	100.0
320.13239	8.7
323.10397	8.5
327.13626	2.8
330.12521	2.8
355.13092	6.1
358.11716	2.7
374.14941	11.2
375.52176	2.0
391.15323	2.8
392.16083	11.1
393.16605	2.7
400.12317	2.2
403.15656	2.5
416.16205	7.2
434.17126	5.1
446.17117	3.1
469.20895	2.1
510.18738	2.3
531.26892	2.8
539.22717	2.5
555.26068	2.3
557.24036	26.5
558.24445	5.6
581.23822	7.4
583.22125	2.6
599.25177	56.8
600.25433	8.3
601.23120	3.8
602.23969	11.0
603.24072	2.4
625.23816	3.4
631.27557	2.6
643.24127	72.3
644.24719	15.8
675.26459	35.3
675.35620	3.9
676.26935	9.9
676.37152	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92045	3.5
53.31425	3.4
53.41074	3.3
59.01249	18.0
60.49404	3.9
61.98714	4.4
65.03815	5.1
69.21483	3.7
71.01249	8.5
71.57859	4.8
78.95790	5.3
85.02804	6.4
89.02303	4.0
90.93234	6.6
91.05298	4.2
93.03335	10.2
95.04935	4.1
96.95902	5.0
97.02844	3.8
99.53899	3.8
101.02308	9.5
107.04926	5.8
108.02087	4.0
109.02831	14.0
111.04339	4.2
113.83002	3.8
114.62624	4.4
121.02834	8.9
123.04399	12.6
133.02820	8.5
135.04404	17.2
137.02342	33.3
149.02283	4.2
151.03824	4.6
156.15518	3.9
159.00543	9.3
159.04396	6.4
161.02353	19.1
171.10162	12.9
173.04498	6.8
173.06029	8.2
177.01743	4.8
187.03961	4.0
191.05592	27.2
193.08440	9.1
211.03893	5.7
211.13443	4.4
221.08052	4.5
225.05537	9.9
229.05002	5.3
233.11946	4.9
269.08246	6.6
277.11044	6.0
295.02219	12.6
309.20660	9.4
327.21738	10.8
333.07541	4.6
335.04803	6.3
343.20966	4.6
345.03305	4.4
347.01837	6.5
347.08926	4.6
353.52863	4.9
361.06900	13.8
363.12836	4.7
373.16537	20.3
385.06909	7.0
412.68701	4.6
413.06454	100.0
414.06775	8.3
473.57394	4.5
481.09375	4.5
513.28418	11.0
523.10095	65.3
524.10413	10.6
537.11035	4.2
565.70758	4.2
675.14642	36.1
675.34570	5.6
676.14642	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.6
58.00460	1.6
59.01253	5.9
70.80640	3.2
71.01263	3.7
73.02858	1.8
74.08536	1.1
78.03758	1.0
80.02567	1.2
81.03353	1.4
83.01269	4.4
83.04888	2.0
85.02853	1.9
93.03368	1.9
95.04929	1.2
97.06467	2.0
98.03642	1.5
109.02811	2.6
111.08032	10.8
113.02309	3.1
123.04426	6.2
123.08039	3.2
125.09623	18.6
127.07606	1.7
127.11205	5.7
134.63885	1.1
135.04395	2.1
135.08064	3.4
137.02252	1.1
137.09628	7.6
138.10132	1.1
139.11163	2.1
141.09102	7.1
142.70398	1.1
151.07585	1.5
151.11203	4.9
153.09109	6.4
155.10661	3.3
164.08336	4.1
165.09009	3.3
167.10718	2.6
171.10199	12.3
173.04387	2.1
179.06831	1.2
181.08369	4.4
183.10010	4.1
183.13770	1.2
191.05496	4.7
191.06981	2.2
193.08369	17.4
195.06464	1.3
195.10194	2.0
199.09648	2.2
201.11249	48.1
202.11552	1.6
205.08369	2.0
207.10002	6.6
209.07855	8.4
209.11790	4.4
213.11272	32.0
214.11639	1.4
219.10001	1.5
221.07948	1.4
223.09476	80.9
224.09776	3.5
227.08981	2.0
227.12888	1.7
231.10027	2.1
235.09514	30.1
241.09265	4.6
248.10289	3.1
249.10982	4.4
260.10309	21.4
261.10809	1.4
264.40115	1.1
278.11356	41.3
279.11685	2.6
287.16064	2.0
289.18118	13.5
299.02063	2.1
307.19150	27.8
308.19458	3.0
311.16281	5.1
317.17227	1.5
325.20184	100.0
326.20523	6.9
329.17334	76.0
329.20349	1.2
329.21460	1.2
330.17703	5.3
347.18362	34.4
348.18491	3.4
404.61847	1.3
448.97501	1.2
544.31335	1.2
586.29388	1.7
673.39288	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3805
Annotation	MK 7924
Peak:m/z	Relative Intensity
57.03316	1.2
57.59415	0.7
59.01258	7.1
60.09425	0.8
71.01260	3.4
85.02827	2.9
85.48180	0.7
87.00763	1.7
89.02320	1.3
93.03333	2.0
96.95909	3.6
97.22119	0.9
99.04408	2.0
100.42940	0.7
101.02303	2.0
108.02076	1.5
109.02840	1.2
113.02316	1.7
121.02814	0.9
122.03645	0.9
123.04429	1.4
123.08105	1.2
126.09789	0.7
135.04410	3.7
136.05203	37.6
137.02383	0.8
137.05940	1.0
149.05994	11.1
150.06779	9.6
152.01073	1.6
153.01823	1.2
162.06729	1.4
163.07544	1.1
164.08363	3.5
165.09135	32.4
166.09465	1.3
173.04501	1.2
175.03857	0.8
191.05522	5.6
209.11639	0.7
214.25960	0.8
230.01578	0.8
282.63229	0.8
302.35370	0.8
327.21768	1.3
345.22794	3.4
432.28809	1.4
447.31033	2.6
450.30057	2.0
465.32272	13.2
466.32501	1.7
492.30862	1.6
493.31778	11.3
494.32141	1.2
510.31918	1.9
511.32657	22.3
512.33112	3.7
598.91144	0.8
655.38342	0.9
673.38013	100.0
674.38416	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61731	0.3
59.01252	3.8
71.01247	2.9
73.02818	0.7
79.95589	0.3
80.02542	1.3
81.03340	1.2
81.85108	0.3
83.01259	0.5
83.04905	4.4
84.02042	0.6
85.02822	0.9
87.00761	0.6
89.02311	1.3
93.03341	0.9
94.07182	0.3
95.04899	0.5
96.95883	5.9
97.06461	0.4
98.95467	3.7
98.96320	0.6
99.92471	2.1
101.02319	2.3
106.51566	0.3
109.02843	0.4
113.02342	1.5
115.91946	1.7
116.13383	0.3
116.92752	9.7
117.92759	0.8
119.03379	0.5
123.04337	0.5
125.02297	0.5
125.05968	0.5
135.04414	1.5
135.07999	0.6
137.02353	0.8
137.64857	0.3
150.06789	0.5
160.04443	0.3
161.02406	0.3
161.04495	0.8
161.09625	0.4
163.11209	4.3
164.11525	0.3
165.12781	2.2
166.78778	0.3
171.10193	3.2
173.04405	0.8
179.10667	0.3
181.12358	0.6
184.91902	0.4
191.05582	2.3
191.10690	1.0
199.13342	0.6
209.11775	100.0
210.12132	5.7
221.11732	0.4
223.13564	0.3
227.12843	12.7
228.13142	0.7
235.08231	1.2
247.13412	1.7
253.09251	5.2
265.14389	0.5
299.01871	0.5
401.23108	0.5
411.39868	0.4
419.24164	0.3
451.14063	1.0
471.04630	0.3
565.19336	0.4
569.11267	0.4
587.12103	0.5
611.12097	1.0
629.13721	0.6
637.32239	0.8
641.23413	0.5
655.32733	0.4
673.12292	0.4
673.42255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.3
65.78558	0.2
70.45816	0.7
71.01256	2.4
73.02824	0.4
80.02539	0.8
81.03318	0.9
83.04903	4.4
84.02044	0.9
85.02803	1.0
87.00759	0.5
89.02303	1.4
93.03319	1.0
95.01251	0.4
95.04900	0.9
96.95912	0.7
99.92420	0.2
101.02304	1.9
109.02845	0.6
109.06490	0.3
113.02330	1.2
116.92738	0.6
125.02338	0.7
125.05971	0.4
125.09652	0.4
135.04437	1.5
135.08066	0.6
137.02327	0.3
143.03406	0.4
147.11678	0.4
151.00273	0.5
151.07564	0.5
157.72462	0.3
161.04480	1.0
163.11220	3.7
164.11580	0.2
165.12721	1.9
168.00529	0.4
171.10193	3.0
173.04547	0.7
179.05450	0.3
181.12254	0.6
191.05528	2.0
191.10736	0.7
192.05791	0.3
209.11769	100.0
210.12115	6.7
221.11748	0.5
227.12834	12.7
228.13158	0.8
235.08194	1.8
247.13414	2.1
253.09270	5.7
254.09746	0.4
260.46732	0.2
265.14368	0.5
271.02466	0.4
277.97754	0.3
293.21219	0.2
299.01868	1.3
300.02692	1.1
301.03528	0.3
375.21732	0.3
401.23026	0.5
445.21014	0.3
462.08188	0.3
463.61563	0.3
483.22455	0.3
533.13965	0.3
637.32465	1.0
656.86359	0.3
657.00226	0.3
673.22595	0.5
673.34192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95100	1.8
53.76236	2.0
55.68982	1.8
59.01254	28.4
59.52634	2.0
67.96707	1.9
69.53950	8.3
69.54372	7.7
71.01258	11.7
73.02826	4.3
80.04941	9.5
83.01212	2.0
83.04924	2.2
85.02835	8.6
87.00733	3.0
89.02310	5.4
91.33934	2.4
93.03355	5.5
94.06486	4.8
95.04898	2.1
96.95872	5.3
101.02335	6.5
104.04958	6.3
106.06516	8.4
107.03649	7.2
108.02056	2.4
108.04485	2.5
109.02853	6.5
111.04371	3.2
113.02335	6.0
119.03402	2.0
120.04408	3.1
122.06007	70.3
123.04496	2.6
123.06318	2.6
125.02390	2.9
132.04463	4.3
134.06029	18.2
135.04385	11.6
135.08090	2.8
136.05200	3.0
136.07538	2.8
137.02342	8.9
139.02655	2.9
148.03931	4.2
150.05428	2.4
151.07549	16.8
152.07074	81.1
153.01753	3.4
153.07419	4.0
155.10922	1.9
159.04295	2.8
160.06329	2.3
161.04544	3.0
173.04504	4.6
174.05540	6.0
179.03424	4.0
180.06563	4.7
188.07172	6.0
191.05521	27.5
197.04503	6.5
199.13376	2.4
206.44301	2.1
209.11786	37.8
211.08652	4.7
213.10281	15.8
222.44479	2.0
223.08846	2.9
225.10321	6.1
226.11061	2.3
227.12918	20.4
234.37500	2.4
235.08659	3.0
237.10277	4.4
239.11908	16.3
241.13535	11.0
245.12892	8.7
249.10320	2.6
250.07477	6.2
251.08122	3.4
251.11967	4.6
252.08878	2.8
253.09668	9.5
255.11281	2.3
263.08234	2.9
265.09845	9.3
267.11401	6.1
273.03989	3.1
277.09863	5.9
278.06973	6.8
278.10474	5.1
279.07794	9.6
279.11026	4.4
283.02420	2.8
285.09271	2.4
285.12454	42.2
292.08331	2.0
293.09305	22.3
293.12955	8.8
294.10052	7.0
295.10840	17.7
299.01932	5.2
300.02597	2.8
306.10095	3.3
307.10858	5.9
309.12408	3.6
313.11819	7.7
323.10300	8.0
325.12051	2.8
332.17688	2.3
337.08344	13.5
338.09006	2.5
339.09708	6.0
340.14563	2.5
343.13428	2.7
351.10300	2.2
355.13171	5.0
357.14859	2.4
358.15512	7.4
384.13568	6.0
385.14221	2.9
399.15683	3.0
400.16769	12.4
401.17325	3.3
412.16534	4.6
430.13843	2.5
431.18420	3.0
432.19345	3.7
442.18127	2.4
444.15305	3.8
458.17108	4.8
459.17960	5.5
460.18842	11.2
466.69485	2.0
474.20358	12.9
476.18127	3.0
503.16711	4.1
504.17783	25.1
505.17987	3.2
518.19415	36.7
519.19434	6.2
523.23419	6.6
536.19965	3.9
550.21954	30.1
551.22211	5.6
565.24536	100.0
566.24591	17.6
581.44501	2.6
592.19971	2.4
597.27545	9.3
609.23456	43.7
610.23566	9.7
613.39099	6.0
641.26166	95.2
642.26428	17.3
655.41003	4.2
673.27454	10.4
673.41534	4.0
674.27576	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99478	0.8
59.01249	7.7
64.85799	1.0
71.01251	3.5
72.38369	0.9
73.02824	1.0
74.69839	0.9
76.02217	0.9
78.95786	1.3
79.05410	1.0
85.02810	1.3
87.50507	1.0
89.02301	2.1
93.03333	2.0
94.06509	6.2
96.95894	3.9
101.02340	1.7
106.06503	2.1
107.03649	18.3
107.04831	2.1
108.02056	4.6
108.04472	2.1
109.02883	4.9
113.02325	1.4
120.04446	1.9
121.02796	1.2
121.05141	1.4
122.02375	1.3
122.06011	68.8
123.03133	1.6
123.04472	1.1
123.06342	2.9
124.03907	3.3
124.07619	1.1
125.02374	1.2
126.90338	1.0
128.27225	0.9
134.06017	8.7
135.00777	1.6
135.04442	1.6
135.08035	2.8
136.03929	3.4
137.02306	1.6
138.05516	2.0
139.02660	5.6
139.03568	0.9
144.15918	0.8
150.05518	3.3
152.01042	3.6
152.07079	90.4
153.01894	4.3
153.07393	2.7
166.05080	1.1
168.06564	1.5
173.04437	2.6
178.99736	1.9
191.05525	4.7
199.04002	1.9
200.34187	0.9
209.11774	8.8
227.12996	0.9
231.28929	1.0
234.95828	1.1
262.07443	1.2
263.07919	1.3
265.09677	1.6
277.09738	3.1
278.10452	2.0
279.10239	1.6
291.06595	7.1
292.07028	1.2
305.08252	2.3
306.09018	6.6
307.09744	67.0
308.10049	7.7
328.10797	1.5
342.12439	2.9
343.13620	1.7
344.14145	1.2
354.12650	1.8
356.10196	2.2
356.14157	1.8
357.11148	1.5
358.12033	3.5
359.13419	1.3
360.13632	1.8
370.11990	3.0
371.12936	1.6
372.13736	4.6
375.27536	1.2
382.11942	1.4
384.13699	1.9
386.10641	5.5
386.15729	6.0
387.15967	1.3
398.10986	1.4
398.15524	1.5
399.12012	1.7
400.12903	2.5
401.13803	2.7
402.14563	3.3
404.16278	5.5
412.12668	1.1
414.14752	6.1
417.13235	4.5
418.13663	1.2
426.14563	3.4
430.14035	2.7
431.14743	1.1
432.15570	27.2
433.16034	3.1
444.15604	11.5
445.16391	1.8
446.17111	1.2
451.13925	4.7
463.17841	2.2
464.18192	5.8
469.14993	3.8
511.16068	15.9
512.16479	1.9
523.19574	1.1
537.21356	1.2
538.22632	2.0
553.24408	1.9
556.22992	2.1
569.24176	5.1
597.23566	100.0
598.23828	17.5
629.26202	50.3
630.26575	7.0
641.22571	41.6
642.23016	6.7
673.24915	36.1
673.35138	10.1
674.25037	8.4
674.34747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4015
Annotation	Guineamide D
Peak:m/z	Relative Intensity
52.62763	0.4
57.03309	0.5
59.01256	3.8
65.03822	0.6
69.38660	1.3
69.39071	3.1
71.01254	1.6
76.21746	0.5
85.02820	1.8
87.00742	1.0
89.02332	0.7
93.03328	0.5
98.70394	0.4
99.04409	0.8
101.02317	0.8
105.88961	0.5
109.02796	0.5
109.06411	0.5
112.46620	0.5
113.02299	0.5
122.06017	0.6
123.04371	0.6
127.11159	0.7
135.04408	1.9
135.08057	1.1
135.78378	0.4
136.05223	1.1
137.02330	1.6
137.05981	0.7
137.09637	0.5
149.05984	8.0
150.06773	51.1
151.07315	2.0
153.05428	0.5
155.10696	0.7
158.54219	0.5
161.09561	0.7
162.06709	0.7
163.07565	12.5
164.08342	6.3
171.10204	0.7
176.08263	2.7
177.09126	1.1
178.09904	3.8
179.10709	16.9
180.11002	1.0
191.05542	1.4
193.08574	0.5
209.11728	0.8
247.97311	0.6
265.21701	1.1
283.22668	0.6
327.25348	1.6
329.23309	6.9
332.84384	0.5
377.27927	0.5
397.71014	0.6
404.91751	0.5
430.30725	1.2
445.33197	1.6
447.34985	0.6
448.31973	11.1
449.32324	2.0
462.33502	1.7
463.34290	13.5
464.34592	1.6
490.32825	3.1
491.33624	3.0
508.33990	4.1
509.34842	32.6
510.35114	5.8
517.11652	0.8
551.35681	0.8
671.40149	100.0
672.40497	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.9
62.49972	0.8
71.01235	2.5
71.58153	0.9
72.99195	1.0
73.02817	1.8
81.03362	0.9
85.02841	1.1
89.02313	1.7
89.52434	0.9
93.03348	2.0
94.06523	4.3
96.95899	3.6
101.02305	1.0
102.17841	0.9
107.03646	17.8
108.02052	4.2
108.04462	2.0
109.02857	6.8
113.02313	1.0
120.04439	2.6
121.05173	1.1
122.02370	2.0
122.06013	77.9
123.06356	2.1
124.03931	3.6
134.06044	8.2
135.00735	3.1
135.03247	1.0
135.04405	1.9
135.07947	1.0
136.03937	3.8
137.02382	1.0
138.05478	1.5
139.02678	6.7
150.05531	4.5
150.06694	1.6
151.00232	1.1
152.01047	4.1
152.07082	100.0
153.01886	6.8
153.07410	3.4
159.50572	0.9
168.06526	0.9
173.04443	1.6
178.99677	0.9
184.91771	0.9
187.11877	0.9
191.05550	5.8
199.78165	0.8
209.11775	10.2
249.06398	0.9
255.11324	1.2
257.60043	1.0
263.08218	1.8
264.09122	1.0
265.09567	0.9
276.08917	1.1
277.09857	4.9
278.10507	1.7
279.11020	1.3
290.10553	1.2
305.09137	1.7
306.09042	1.9
307.09784	14.4
317.11661	1.2
342.08755	1.2
342.12424	2.3
344.13934	1.6
352.10980	0.9
354.08887	1.4
355.13846	0.9
356.10367	1.9
356.14178	1.7
357.11014	1.1
358.11844	3.4
358.15714	1.0
359.13580	1.6
360.13525	1.4
365.48618	0.8
368.10477	1.2
370.11938	3.6
371.13071	1.0
372.13635	4.0
373.14081	1.2
375.27338	1.9
382.12115	0.9
384.13635	1.5
385.14258	1.1
386.10788	6.0
386.15192	3.8
387.15787	1.4
391.15469	0.9
396.13681	1.0
398.11081	2.0
398.15570	1.2
399.12122	2.2
400.12881	2.1
401.13718	2.4
402.14487	3.4
404.16275	5.4
406.17712	1.4
408.13834	1.0
411.12390	1.0
414.14435	6.9
416.16422	1.5
417.13361	5.8
426.14624	3.1
428.16327	1.2
429.13177	1.3
430.13986	1.3
432.10007	1.8
432.15677	26.4
433.16049	3.3
444.15619	10.5
445.16443	2.3
446.17267	1.5
451.13425	1.0
463.17505	1.8
464.18188	5.7
511.16125	2.9
523.19849	1.8
535.23248	1.1
537.21326	1.2
553.24518	2.9
555.22510	1.3
556.23077	2.2
567.22076	1.0
569.24060	6.9
570.24292	1.0
579.22333	1.5
597.23553	94.5
598.23853	15.3
611.24640	1.0
629.26208	45.3
630.26544	6.4
641.11945	2.0
641.22589	38.9
642.22644	7.5
672.34705	1.1
673.24945	35.7
673.35052	10.2
674.25031	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11956	0.7
59.01249	2.7
69.37724	6.9
71.01254	1.3
73.02832	0.7
85.02810	1.5
87.00751	1.4
89.02333	1.5
89.51699	0.7
91.33300	0.6
99.04397	1.2
101.02332	0.8
108.02056	3.3
109.02821	2.5
113.02312	1.3
121.06490	1.2
122.03587	0.9
123.08057	2.1
123.77007	0.8
127.11237	0.7
135.04408	1.2
136.05203	32.9
137.05997	0.7
137.09579	0.9
145.04988	1.5
149.06015	4.7
150.06789	4.0
152.01031	2.7
153.01834	1.7
155.10657	0.7
162.06776	1.5
163.07541	1.4
164.04733	0.8
164.08351	3.0
165.09120	31.4
166.09502	1.2
191.05582	1.3
217.52959	0.7
222.87709	0.8
292.16772	0.9
307.19196	2.3
321.20691	1.3
336.31946	0.7
343.21317	5.8
344.21643	0.8
350.21069	1.7
354.94669	0.7
385.30814	0.7
445.29523	1.4
463.30573	8.6
464.30826	1.4
491.30356	2.6
508.30420	1.9
509.31183	28.0
510.31516	4.1
671.36548	100.0
672.36908	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03304	1.4
59.01252	7.3
61.48546	0.5
67.01751	0.5
69.03326	1.0
69.44180	4.7
71.01252	6.2
72.99186	0.9
73.02806	2.6
81.03327	1.4
83.01273	0.8
83.04942	0.9
85.02821	4.7
87.00707	0.8
89.02305	2.1
93.03341	3.2
95.01259	4.1
95.04926	0.6
96.95898	4.6
97.02818	0.7
99.00784	0.6
101.02314	3.1
108.02056	67.8
109.02847	44.8
110.03162	1.4
113.02327	2.6
119.04887	0.9
121.02846	2.4
122.03638	1.3
123.00751	2.6
123.04352	0.6
125.02307	1.0
125.09620	1.3
127.11165	0.7
133.02869	1.0
135.00809	1.2
135.04420	4.0
136.05154	2.1
137.02332	3.0
137.09598	0.9
150.06715	1.0
151.03925	1.1
151.07578	0.9
152.01064	67.3
153.01849	26.0
155.10674	1.2
161.02299	0.8
163.03888	1.3
165.01828	1.1
165.09126	1.1
171.10239	3.6
173.04526	1.2
179.05446	0.6
181.04935	0.6
191.05544	4.4
207.10312	0.9
209.11819	1.7
211.30612	0.5
225.11226	1.0
239.05110	0.6
241.05199	0.7
243.06532	0.7
297.06314	0.7
302.15057	0.6
315.07071	0.7
318.90097	0.6
338.62054	0.6
355.24820	1.1
371.24313	0.8
373.25919	22.2
374.26193	2.3
467.33664	1.2
470.56055	0.6
517.11523	1.2
532.80658	0.6
671.32764	100.0
672.33179	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
58.35837	0.6
59.01254	19.4
67.01755	0.8
69.03327	0.7
71.01254	11.7
71.58413	1.3
72.99176	1.2
73.02808	2.3
80.02560	2.1
81.03336	4.3
83.01258	0.9
83.04894	7.9
84.02028	0.9
85.02840	3.5
87.00755	1.8
89.02335	4.2
91.05413	0.9
93.03338	4.1
95.01264	1.1
95.04909	2.4
96.95895	2.7
97.02821	4.3
99.00773	2.2
101.02324	7.5
107.04920	1.2
109.02825	2.1
109.06479	22.9
110.03592	1.1
111.04401	1.7
113.02296	3.7
113.61227	0.8
118.71416	0.9
119.03418	0.7
121.02840	2.0
121.06484	1.7
122.06007	2.4
123.04417	1.8
123.08057	0.9
123.37350	0.7
125.02389	1.2
125.09621	2.9
133.02919	1.3
134.03505	1.1
135.04419	4.3
135.08055	4.5
136.05180	1.3
137.02341	1.8
142.02620	2.9
145.10188	0.9
149.02448	0.9
149.06024	1.3
151.03917	1.1
151.07477	1.4
152.01010	1.2
152.07092	3.6
153.01888	3.5
161.04514	1.9
161.09636	1.5
163.11208	19.9
165.12769	2.1
167.07021	1.5
171.10176	5.1
173.04448	2.4
173.05923	0.8
175.07492	0.8
177.01886	1.3
179.05518	0.9
179.10684	1.2
181.12274	4.2
185.11765	3.1
185.13263	0.7
187.09680	1.2
189.09158	2.1
191.05597	5.7
191.10756	2.4
195.02933	2.5
199.13353	0.9
201.11192	1.2
207.10210	64.0
208.10571	3.5
209.11781	100.0
210.12120	5.3
225.11272	31.3
226.11612	1.0
227.12834	14.4
231.10297	1.7
235.08211	4.1
247.13368	1.3
249.11383	1.6
253.09250	11.3
263.12915	2.1
265.14429	0.8
281.13971	0.9
293.09348	2.8
305.09439	0.9
360.34222	0.9
373.23807	1.7
381.20822	1.2
393.01108	0.8
399.21829	7.2
417.22836	6.1
435.24051	1.5
443.19235	3.7
458.17163	1.1
461.20273	11.7
462.20712	0.9
481.21234	1.0
499.22635	1.0
502.16214	2.8
517.11212	2.0
563.23590	1.1
625.32520	1.4
629.39441	1.4
635.30560	8.5
636.31421	1.7
639.24890	1.5
640.24512	0.9
653.31708	12.0
654.32196	2.1
671.32141	19.9
672.32507	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.4
65.03836	2.0
78.95801	1.7
85.02815	1.0
91.05417	8.3
93.03349	2.5
98.20583	2.0
108.02048	3.7
109.02832	4.1
109.06455	3.4
116.65533	0.8
117.03366	1.6
121.02844	12.3
122.03644	8.2
123.04447	1.0
126.43244	0.8
130.50967	0.8
133.02841	7.1
133.10118	1.2
134.03606	1.2
135.04417	46.9
136.04791	1.7
148.45761	0.9
152.99509	1.2
157.06485	2.6
159.08072	6.7
161.02353	100.0
162.02686	3.7
164.30502	0.8
175.07471	1.1
177.01579	1.2
177.09126	43.8
178.09502	2.4
191.05522	1.7
203.07104	7.1
206.92508	0.9
209.11754	1.6
221.08134	18.6
222.08499	1.5
255.06633	1.9
265.05002	4.3
277.04932	1.2
280.46524	0.8
283.06067	2.7
305.04309	1.2
306.04984	1.4
309.20819	1.0
315.12192	0.9
317.04315	1.6
321.11337	14.4
322.11746	1.3
339.08325	2.3
339.12357	46.9
340.12738	5.7
343.09393	5.9
361.10565	73.7
362.10913	7.3
450.22427	1.0
549.22107	0.9
671.30762	6.8
672.31348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.9
58.66119	1.0
59.01255	14.1
61.98676	1.2
69.03306	1.2
71.01258	7.9
71.58344	1.1
71.58752	2.1
73.02805	3.0
78.95785	1.5
80.35361	1.0
81.03330	1.9
83.01247	1.9
85.02827	5.8
88.27264	0.9
89.02308	3.5
93.03342	5.8
95.01225	3.0
96.95889	2.0
98.95544	1.1
101.02303	3.9
107.04922	1.5
108.02055	61.4
109.02848	40.4
109.06447	1.3
110.03162	1.2
111.00781	5.9
113.02282	3.1
119.03436	1.0
121.02792	1.9
123.00769	2.3
123.04370	3.2
123.08006	1.5
125.02319	2.5
127.07601	1.1
135.00743	1.8
135.04446	7.1
136.05170	1.3
137.02324	6.8
142.95848	1.0
145.21544	1.0
150.06674	2.0
151.03889	1.5
151.07513	1.5
152.01062	65.4
153.01843	23.2
153.05423	2.9
153.71201	0.9
161.02328	1.5
163.03847	1.1
163.66251	1.0
165.01799	2.2
171.10266	1.2
173.04416	2.1
174.01555	1.2
175.29562	1.0
176.15186	0.9
179.03470	1.4
179.05432	0.9
181.67535	0.9
185.11693	2.8
191.05531	8.8
203.03397	1.3
207.10211	1.2
209.11717	2.5
214.41876	1.0
225.11290	2.7
243.56050	1.1
355.08130	3.0
373.21497	1.8
373.25928	20.6
374.26147	2.5
509.14346	4.1
671.32703	100.0
672.23022	1.3
672.33289	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15439	0.6
59.01256	8.5
65.03836	3.6
67.01761	6.6
69.03326	1.2
69.26682	7.8
71.01256	3.6
73.02818	1.2
75.03357	0.6
77.03846	0.7
80.02538	0.9
81.03309	0.7
83.01235	1.2
83.04901	1.3
85.02835	2.2
89.02321	1.8
91.01746	3.7
91.05424	4.5
93.03336	12.2
95.01260	2.3
95.04912	1.0
96.95871	1.5
97.02824	1.4
99.00722	0.9
101.02345	1.8
107.01220	0.8
107.04925	1.6
108.02044	5.6
108.59386	0.8
109.02841	26.7
109.03600	1.3
109.06470	1.3
113.02328	2.5
117.03363	1.0
121.02856	2.7
123.00777	2.8
123.04398	2.3
124.01589	1.0
125.02331	8.7
129.07001	0.8
131.04866	0.9
133.02815	1.6
135.00751	4.1
135.04419	31.7
135.08041	0.7
136.01523	2.1
136.04843	1.0
137.02345	100.0
138.02690	3.3
147.04457	1.1
149.02374	2.0
149.06000	1.4
151.00266	5.0
151.03932	2.0
151.07588	1.4
152.01070	1.2
153.01820	5.3
153.05476	3.7
153.44640	0.8
159.04443	2.4
161.02339	4.6
161.04497	1.4
163.00252	0.7
163.11180	1.4
165.05573	1.1
167.07079	1.1
169.01329	5.5
171.04460	1.3
171.10181	0.9
173.04636	1.1
173.05898	3.4
175.03911	2.3
175.07567	3.1
176.00986	0.9
177.01857	1.8
177.05453	4.8
179.03439	1.8
181.12320	0.8
183.04480	1.1
185.02383	1.0
185.06029	0.9
189.05473	7.2
191.05498	2.3
191.07082	6.4
191.10609	0.8
198.03122	0.8
199.04001	1.4
199.07652	0.6
201.05673	0.7
203.07048	0.9
207.10207	6.8
209.11784	14.2
211.03871	2.8
213.05492	0.9
215.07077	1.1
217.05019	10.5
218.05302	0.7
219.02827	1.4
225.05528	4.1
225.11269	6.1
226.02594	0.8
227.03481	5.5
227.07025	4.8
227.12881	2.6
235.06046	6.2
240.04253	0.6
240.97659	0.6
241.05080	3.8
242.05850	1.0
243.06544	3.7
245.04529	5.2
249.09259	0.9
253.04971	1.2
253.09096	2.3
255.02917	1.0
269.04547	4.1
275.07095	0.8
277.04968	1.3
279.06329	0.7
281.08276	1.4
288.02771	1.9
291.06705	1.3
293.04910	1.3
293.08203	1.8
295.06100	0.8
297.03979	0.8
299.06992	0.9
303.06473	0.8
309.07758	0.8
311.09311	3.8
317.08179	3.4
319.09601	1.3
329.04434	1.0
330.05457	1.1
333.07620	1.5
335.09222	11.0
336.09698	1.5
337.07095	1.3
343.06287	1.2
345.07681	4.6
353.10190	2.1
355.08304	2.5
361.07114	2.1
361.11093	0.9
363.08685	9.7
363.12402	0.8
364.09140	1.7
379.08142	12.2
380.08640	1.7
397.09296	5.9
398.08875	0.9
405.09921	1.3
437.10394	0.9
445.12943	2.2
453.13254	1.0
455.11282	1.6
461.20560	1.8
471.14578	3.6
472.14767	0.9
473.12109	5.5
489.11041	1.2
489.15637	3.5
515.13489	5.8
516.13892	1.1
517.11456	15.4
518.11829	2.6
533.14496	9.6
534.15118	2.1
565.50232	0.7
581.18488	0.9
609.17450	1.5
611.37628	1.2
625.17554	2.3
627.18927	2.6
629.36658	0.9
653.16321	5.1
653.31714	1.3
670.39337	1.2
671.17914	10.0
671.32501	2.9
671.41479	1.7
672.18140	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32566	0.8
53.21029	0.6
55.01751	1.0
59.01254	5.1
65.03833	6.0
67.01765	13.7
71.01254	2.2
79.05380	1.1
85.02817	1.4
89.02335	1.4
91.01784	6.5
91.05408	10.2
93.03339	2.7
96.95879	1.3
98.20654	1.7
101.02318	0.9
107.04923	2.2
109.02833	37.5
110.03167	1.3
111.00767	1.8
113.02321	1.0
117.03383	1.0
121.02854	6.7
123.04422	6.1
128.05362	0.7
131.04939	1.9
133.02834	2.1
133.06483	0.8
135.00836	3.8
135.04419	84.9
136.03830	0.8
136.04692	3.7
147.04410	2.6
149.06012	1.8
151.03929	1.0
153.01845	33.7
153.05482	17.3
155.08571	1.5
159.04419	2.8
161.02383	7.9
165.01866	1.1
167.07040	2.9
171.08095	1.1
173.04530	1.3
173.06010	5.7
175.03925	9.9
175.07555	7.0
177.05479	6.0
179.03442	6.1
183.08054	2.0
191.05533	2.4
192.29507	0.8
195.06476	1.8
197.04433	1.7
198.03229	0.9
199.03732	0.8
199.07578	2.2
201.05518	2.3
201.09131	1.3
203.03447	1.4
203.07054	2.2
205.01379	3.5
207.10283	1.2
209.10077	0.8
209.11769	4.4
209.47466	0.7
211.03958	17.6
212.04428	1.7
215.07127	2.8
217.05080	2.2
219.03043	2.1
219.06720	2.0
225.05531	23.6
225.11391	1.9
226.05888	2.7
227.07086	50.5
228.07454	3.0
239.11827	1.1
241.09868	4.3
242.10156	1.0
243.06778	0.9
243.52899	0.9
245.04555	1.4
245.08119	1.6
253.08963	2.1
256.12131	2.3
259.06122	0.9
269.04520	2.1
271.06119	79.3
272.06537	6.1
282.41977	0.8
293.08224	1.1
315.13498	5.2
337.10800	1.2
348.22031	0.8
355.08145	1.8
363.08740	3.6
381.09781	93.9
382.10110	8.8
407.11746	1.5
425.12158	4.0
461.20657	0.9
499.13791	1.1
517.15179	8.4
518.15839	1.0
535.16089	100.0
536.16449	14.3
538.99347	0.9
587.78278	0.8
671.39935	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52533	1.5
55.86688	1.2
57.02314	1.6
57.03313	3.2
59.01236	2.0
61.09486	1.4
71.01241	2.1
71.04897	7.2
71.49286	2.8
74.75651	1.3
79.70499	1.4
88.73258	1.4
93.03333	2.7
93.06976	2.0
96.95856	1.7
97.06455	3.3
107.04931	2.0
109.02843	3.0
109.06443	1.3
119.08559	4.3
121.10113	13.5
123.08005	3.0
125.09618	10.6
135.04414	11.7
137.09624	10.7
141.12726	1.6
147.08046	3.5
149.09599	4.8
163.07481	1.7
163.11125	1.5
171.10184	16.1
185.11740	18.6
191.05458	3.2
193.08348	2.6
197.11761	5.3
198.32831	1.5
207.09972	6.8
209.11655	2.9
211.13362	1.9
217.15878	5.3
227.17863	1.4
245.19048	10.1
271.29889	1.6
273.18567	5.4
291.19647	52.1
292.19965	4.0
305.21222	20.2
307.09897	1.6
313.10706	5.0
313.17850	80.1
314.18201	4.8
323.22250	100.0
324.22586	8.5
345.20392	7.4
355.15591	2.5
381.17130	2.1
491.91592	1.6
559.22821	1.7
669.43378	82.5
670.43683	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.2
57.03331	2.7
58.00469	1.0
58.95321	0.5
59.01251	30.1
61.84517	0.6
67.01746	0.5
69.34669	3.8
69.35084	1.1
71.01255	31.9
72.01575	0.7
72.99185	2.0
73.02825	8.4
83.01266	4.8
85.02827	14.8
87.00762	1.7
88.41810	0.5
89.02320	10.9
89.02840	0.9
93.03342	1.2
95.01244	3.8
97.02805	0.9
99.00769	3.8
101.02323	20.3
108.02082	3.4
109.02832	2.3
111.00765	3.2
113.02332	11.0
119.03402	4.0
121.02842	0.7
123.04389	0.8
125.02345	0.8
129.01817	0.9
134.03694	0.7
135.04408	1.3
136.05193	0.8
137.02348	2.0
143.03365	0.8
149.20171	0.5
152.00987	2.6
153.01804	2.0
159.02892	1.4
161.04474	3.0
173.04451	1.2
179.03419	0.7
179.05484	0.8
191.05507	1.9
200.51173	0.6
221.10759	0.5
224.15068	0.5
263.19531	0.6
281.69882	0.6
333.80807	0.5
345.30109	1.6
459.58850	0.5
463.30807	0.5
507.28622	0.9
507.35486	12.8
508.35846	1.0
639.17291	1.0
669.40717	100.0
670.41125	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55420	1.2
59.01252	2.3
59.96802	1.2
65.72243	1.1
67.01752	7.5
67.25024	1.1
69.70309	5.7
69.70713	2.6
71.01258	1.6
76.85410	1.2
98.20524	2.5
109.02804	2.0
153.01886	1.2
191.05537	4.5
199.03911	7.6
211.07596	3.9
222.06760	1.8
223.07536	5.5
244.03899	1.2
255.06596	23.6
267.06619	100.0
268.07001	6.5
285.07687	71.7
285.10278	1.2
286.08038	6.0
313.41501	1.5
377.07388	1.3
447.12970	34.5
448.13345	3.7
616.28534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3853
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03317	1.4
57.68792	0.5
59.01255	6.2
59.43079	0.4
69.11971	0.5
70.00721	0.4
70.85321	1.7
71.01261	2.5
73.02812	1.1
74.61687	0.5
78.95762	0.4
83.01247	0.5
83.04906	0.5
85.02823	1.6
87.00727	0.8
89.02291	2.3
93.03346	1.0
96.95886	1.9
99.04408	0.7
101.02330	1.6
108.02047	1.0
109.02847	2.0
110.97113	0.6
111.04376	0.6
113.02323	1.6
113.05968	1.0
119.03401	0.6
121.02791	0.7
123.04414	4.9
124.04773	0.7
135.04424	3.2
135.08055	1.2
136.05139	0.5
137.02344	5.8
137.06007	0.9
145.02815	0.6
149.05989	8.3
150.06773	51.8
151.03934	3.5
151.07314	2.0
152.01123	0.8
153.01848	1.5
153.09097	1.0
155.10715	0.6
157.08566	0.8
161.02438	0.7
161.05943	0.5
161.09657	1.2
162.06837	0.9
163.03899	1.0
163.07552	9.3
164.08350	6.4
168.86418	0.5
169.12312	0.7
171.10234	0.6
173.04527	0.8
175.07458	0.6
176.08310	1.6
177.09064	0.9
178.09926	3.4
179.03389	1.5
179.10698	15.6
183.22424	0.5
189.09174	0.7
191.05515	2.4
229.01553	0.5
229.04921	0.8
241.05025	0.7
263.20166	0.7
279.23239	0.8
281.21155	1.2
309.20728	0.5
325.23816	1.1
327.21768	6.7
328.22125	0.7
345.07947	0.8
351.68399	0.5
428.29129	1.0
443.31528	0.9
446.30347	10.5
447.30750	2.0
460.32114	1.4
461.32700	11.3
462.33228	1.5
463.34317	1.7
465.32248	1.0
473.12979	0.5
488.31451	1.6
489.32349	2.3
491.08847	1.7
499.10077	1.0
506.32312	3.3
507.33298	25.7
508.33560	3.6
517.11255	2.3
518.11597	0.9
633.69690	0.6
669.38629	100.0
670.39001	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79653	1.8
59.39095	2.1
66.43451	1.5
67.02208	1.7
68.04213	1.4
70.06439	5.5
85.02844	4.4
98.03707	1.6
98.20572	1.9
108.02067	22.2
109.02858	6.6
135.04408	3.8
152.01083	27.9
153.01877	11.7
161.02388	2.8
163.03989	2.2
173.04474	6.4
179.03421	5.7
191.05545	100.0
315.07233	39.5
315.10648	3.5
353.08762	10.2
559.24261	1.9
609.88605	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	2.1
55.75531	1.8
57.18425	1.9
59.01250	31.9
65.03825	6.6
67.01778	3.8
71.01248	9.4
71.58265	4.8
72.31052	2.0
73.02811	5.2
78.95791	4.4
83.01215	2.5
83.04893	3.3
85.02803	4.1
87.00687	2.4
89.02309	7.1
91.01759	2.9
93.03342	11.3
95.31314	2.5
96.95876	12.4
99.00701	3.5
101.02332	6.4
105.03371	2.8
107.04921	3.6
108.02030	5.4
109.02840	43.2
109.06461	2.7
112.92142	2.3
113.02319	3.5
119.04858	3.8
121.02850	52.1
121.06492	2.7
121.34439	1.8
123.04432	27.1
125.02264	2.9
131.92067	2.0
135.00777	4.9
135.04434	20.7
137.02359	71.7
138.02768	2.7
147.04402	2.7
148.01663	2.1
149.02359	73.1
151.03883	5.8
153.01793	6.3
157.06535	2.4
159.04391	9.2
161.02362	3.8
161.05952	2.4
163.00336	5.2
163.03960	27.0
165.01808	3.6
165.05507	2.6
167.03426	100.0
168.03827	3.3
171.10150	2.8
173.04436	8.3
173.05829	2.6
175.07545	4.2
177.01768	2.8
179.03398	4.0
187.03894	7.3
191.03403	25.0
191.05487	14.7
193.01344	6.2
194.01566	2.3
201.05605	3.0
205.22800	2.2
209.04454	17.9
209.11781	8.9
211.03912	7.0
223.13365	5.2
225.05460	4.2
227.07121	6.2
227.12846	4.6
229.05057	5.8
239.07243	3.6
241.05104	3.6
251.07065	2.4
255.02846	2.7
265.05054	2.5
267.06656	3.4
269.08258	3.3
271.22766	6.0
273.04025	6.9
293.04614	2.7
319.09982	3.4
335.09103	2.4
345.07339	4.2
347.09378	10.7
363.08676	3.5
391.08298	18.9
395.10947	5.4
473.12469	4.7
501.11871	22.2
502.12418	3.2
559.12445	3.7
609.36023	3.4
633.14014	3.6
651.15015	8.4
651.29572	3.1
669.15973	53.0
669.39404	11.8
670.16443	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01715	1.3
59.01265	8.9
65.03833	4.1
67.01747	2.3
71.01239	4.2
71.58170	2.6
79.05416	4.2
80.76947	1.4
91.01775	4.0
91.05409	2.8
93.03319	10.9
95.01305	1.8
101.02333	1.9
105.03343	2.4
107.04952	3.0
108.02087	5.4
109.02840	29.2
111.49286	1.5
117.52178	1.5
121.02838	5.1
121.06450	1.5
122.03658	1.7
123.00779	4.5
123.03532	2.4
123.04414	42.6
124.01492	1.5
125.02331	4.8
129.06967	1.3
133.02852	3.1
135.00812	4.0
135.04428	9.7
136.04773	1.6
137.02344	100.0
138.02675	2.6
140.43263	1.4
142.02567	1.3
147.04364	2.4
149.02354	5.5
149.06004	2.4
151.00290	7.8
151.03923	21.4
151.07536	2.1
152.01086	1.5
153.01839	5.4
158.61166	1.2
159.04388	3.4
161.02313	7.7
165.05534	3.4
171.10197	3.3
173.04570	2.8
173.06001	3.6
175.03918	4.1
175.07564	3.4
175.28419	1.2
177.01840	5.0
179.03384	1.7
189.05498	9.0
191.03487	1.7
191.05495	5.3
191.07045	2.2
193.05003	2.7
195.02910	1.8
198.03107	1.8
199.03960	3.2
201.05484	2.3
209.11745	4.8
211.03976	3.4
213.05542	1.7
217.05026	15.9
223.13304	3.7
225.05551	7.1
226.02768	1.5
227.03430	6.3
227.07022	8.1
241.04959	5.9
243.06577	3.1
244.03835	1.4
245.04553	8.6
249.09029	1.7
267.06534	3.1
269.04608	3.8
269.08026	2.7
275.07031	1.5
277.63022	1.4
279.06583	1.4
283.05792	1.9
288.02881	2.1
293.04745	2.2
293.08035	2.9
309.07941	1.3
309.21024	1.8
311.09100	2.7
313.07236	4.2
317.08194	3.0
319.09970	2.1
333.07568	2.4
335.09277	13.9
337.07144	4.3
339.30362	1.5
343.05881	1.6
345.07605	5.7
353.10156	2.1
363.08737	22.2
364.09015	4.1
375.08765	2.4
379.08130	24.5
380.08575	2.6
397.09402	2.0
455.11407	3.0
465.31879	2.2
469.12854	3.2
473.12360	14.4
485.12137	1.9
487.13733	3.3
489.12180	4.8
489.28720	1.9
513.12079	6.4
517.11371	25.7
518.11584	3.9
531.13074	16.4
532.13550	2.8
534.35980	1.5
580.29694	1.8
581.31006	2.2
607.15717	2.0
625.17084	4.3
626.18390	1.7
651.14758	3.9
669.15833	10.3
669.38416	2.9
670.16351	2.0
689.38989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
59.01251	7.7
65.03839	6.0
67.01767	3.3
68.55269	1.0
70.23555	3.2
70.23959	2.2
71.01281	2.9
71.04866	1.1
78.95805	1.6
79.05396	5.8
83.04913	1.4
85.02811	1.6
87.00720	1.4
89.02308	1.7
91.01793	3.2
91.05426	2.7
93.03325	7.9
95.04925	1.3
96.95891	1.8
105.03352	3.4
109.02840	30.4
111.10068	1.3
121.02845	2.5
121.06469	1.2
123.04414	100.0
124.04774	4.6
126.72056	1.3
133.02837	1.8
134.03636	1.4
135.00800	5.7
135.04408	9.7
137.02342	86.8
138.02721	3.4
147.04407	2.0
149.02321	5.9
151.03943	2.7
153.01820	6.7
153.50784	1.3
157.06497	3.3
158.03632	1.8
159.04471	7.0
161.02330	2.7
161.05998	1.8
163.00279	2.5
163.03862	1.2
165.05521	5.4
167.03423	51.4
168.03801	1.8
171.10219	2.8
173.04529	2.7
175.03860	2.2
175.07501	3.8
176.26639	1.4
179.03429	1.5
185.05978	2.9
187.03906	7.7
191.03540	1.9
191.05521	8.7
192.05969	1.4
199.04141	1.3
199.07607	1.4
201.05482	3.4
209.04366	1.8
209.11766	3.1
211.03967	8.0
223.13402	3.4
225.05545	7.6
225.11186	1.5
227.03531	2.4
227.07114	8.7
227.12874	3.0
229.05035	8.5
237.05602	1.9
241.08720	2.2
251.07024	1.7
251.10674	1.6
253.05057	2.6
267.06650	1.9
273.04056	12.8
279.06531	2.5
281.04565	2.4
287.07196	2.4
295.06427	1.2
301.08704	4.1
303.06757	1.4
303.10217	4.4
305.17596	1.7
317.08026	3.1
319.09821	3.1
325.03317	1.9
329.08170	1.3
331.06091	3.9
332.31381	1.4
345.07617	4.0
347.09262	15.3
359.09326	1.4
363.08191	1.3
375.06381	1.9
386.63956	1.3
391.08194	27.7
392.08606	1.9
395.11951	1.4
413.13925	2.4
422.94861	1.6
428.95233	1.5
440.56921	1.3
457.12857	2.1
475.13666	1.2
476.21353	1.8
483.10727	2.8
501.11868	47.6
502.12213	6.3
607.16199	3.8
625.17358	3.3
633.14081	3.8
651.14972	14.0
652.15137	3.2
668.28015	2.2
669.16187	30.8
669.27594	1.6
670.16522	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94309	2.2
57.03311	3.8
59.01256	33.4
61.98685	2.5
67.01768	9.3
69.03333	2.4
69.29101	4.3
69.29505	20.5
71.00896	2.8
71.01258	32.3
71.04890	2.5
72.99171	2.4
73.02811	8.6
83.01267	3.8
85.02821	20.4
87.00748	3.2
88.98663	8.1
89.02318	17.4
91.05379	6.6
93.03338	10.8
95.01285	3.0
96.95877	7.1
101.02319	13.4
108.02044	4.4
109.02835	61.1
113.02338	10.4
115.00256	10.3
119.03285	3.1
121.02835	11.4
122.03589	7.2
123.04396	10.8
131.04913	2.7
133.02834	10.5
135.03419	4.2
135.04420	70.9
137.02313	6.9
143.03406	2.7
145.02765	3.5
146.03665	16.1
147.04387	15.2
148.05197	11.8
149.05994	33.9
151.03888	4.4
151.07509	4.6
153.01833	13.7
153.05470	9.9
159.04413	15.8
159.08063	2.6
160.05186	9.4
161.02324	9.0
161.04541	4.9
161.05974	13.2
162.02879	3.6
162.06723	2.9
163.03999	3.1
163.07530	6.8
171.10165	4.9
172.05196	12.3
173.04454	5.4
173.05992	21.2
174.03142	4.0
175.03911	10.2
175.07513	7.1
177.05470	6.0
179.03410	5.1
185.05977	13.2
186.06741	4.4
187.07564	13.6
188.04613	4.2
189.05453	3.3
189.70918	2.5
191.05542	63.9
192.05960	4.2
193.04984	3.0
193.08511	2.8
197.05946	3.9
198.06808	2.5
199.07497	7.3
200.08310	3.7
201.05426	4.6
201.09148	6.5
201.11192	4.6
203.10722	4.3
205.01355	4.3
211.03934	11.4
211.07549	3.5
213.09108	6.6
213.11258	13.8
214.09854	5.6
215.10684	16.5
215.12823	13.5
216.11429	2.8
217.12216	4.4
225.05600	15.3
227.07144	31.4
227.10683	9.0
229.12305	11.2
240.04294	4.3
241.12216	3.8
245.04517	4.1
245.11778	3.4
251.07268	3.3
253.05008	7.1
253.08472	3.3
254.05780	7.3
255.13799	3.1
257.11761	9.0
265.05060	3.6
266.05771	10.4
267.06659	15.4
268.03879	5.8
268.07068	2.7
269.04562	3.6
269.08072	4.6
271.06119	52.6
272.06433	5.6
277.04959	3.3
279.06567	7.6
280.07239	6.0
281.04532	24.2
281.08115	13.4
282.08752	3.3
292.07507	3.4
293.04761	4.1
293.08127	6.1
294.05566	4.4
294.08945	16.0
295.06076	23.1
295.09616	9.6
296.06549	3.3
297.11237	3.6
309.11261	5.5
334.11984	3.6
335.12451	2.7
338.07727	4.0
351.16061	4.7
360.15887	4.5
363.15982	10.0
365.17300	3.8
369.17255	2.4
379.18927	3.0
381.09802	73.8
382.09933	8.0
393.20428	4.3
411.21741	7.9
417.28543	6.8
427.20828	2.3
429.22803	27.8
430.22870	3.9
434.40009	2.4
457.25958	5.5
467.33539	5.8
468.33740	4.2
469.25934	3.4
475.13959	48.3
476.14130	8.9
505.24683	3.6
510.22488	5.1
535.15717	8.9
543.27710	3.1
551.26270	8.2
552.27399	3.2
561.28387	9.4
579.29657	100.0
580.29950	20.5
623.28333	24.1
624.28693	3.7
625.38318	3.1
667.19281	9.4
667.28021	16.2
667.37982	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20689	1.8
56.54665	1.7
59.01246	14.5
61.98705	1.9
71.01258	13.3
85.02814	2.5
88.98695	2.1
89.02325	2.4
93.03349	5.7
98.20515	3.5
107.04891	2.8
108.02045	20.0
109.02837	74.0
109.06512	2.6
111.00697	2.0
115.00298	11.1
115.00994	2.1
119.04893	2.4
121.02847	13.2
121.12520	2.0
122.03623	4.2
123.04402	10.4
123.08091	2.5
124.01532	3.8
125.09624	2.1
132.02077	2.9
133.02835	13.6
134.03654	5.2
135.04413	46.4
137.02342	11.9
137.05989	3.1
145.02881	3.0
146.03627	2.8
147.04427	31.8
148.05208	18.9
149.05975	17.1
153.01845	2.8
159.04393	16.9
160.05186	5.5
161.02328	4.7
161.05992	53.1
163.03859	4.7
163.07555	3.5
165.05388	2.3
171.10179	1.9
175.04051	2.3
177.05588	2.2
177.38481	1.9
178.02654	14.3
179.03416	48.0
185.06020	3.2
187.03970	2.4
191.03458	7.0
191.05573	6.3
198.06819	1.9
199.07515	2.5
201.11020	2.2
211.07558	1.9
213.05492	5.7
213.09270	3.5
213.11177	2.5
223.13475	3.4
225.05568	2.9
225.11179	3.1
226.06062	2.6
237.05528	1.9
241.04945	13.1
241.08597	4.1
242.05814	62.9
243.06361	6.3
251.07176	3.7
252.07841	3.9
253.05241	2.3
254.05884	9.2
255.06470	2.8
267.06543	8.5
268.07367	39.2
269.08170	100.0
270.08774	24.9
271.09750	82.9
271.12592	2.2
272.10062	6.1
302.07819	10.7
307.19138	6.4
309.20667	6.3
313.07092	3.1
314.08075	12.2
315.08640	6.4
321.17014	6.8
327.21655	2.7
358.06784	2.9
359.07599	2.8
375.06888	3.9
381.23901	2.0
389.06461	3.1
443.24405	2.5
468.64218	2.5
497.08646	2.7
539.31128	2.2
579.29486	23.9
580.30249	4.7
623.28717	19.5
667.27570	50.1
667.40100	9.1
668.27820	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91667	1.2
53.71634	1.3
56.23459	1.2
59.01252	100.0
69.40228	13.0
70.66622	1.2
71.01246	3.6
71.94807	1.3
78.95784	6.6
84.15197	1.6
85.23605	1.3
85.34748	1.3
93.03338	1.6
96.96803	1.5
99.87780	1.2
101.79272	1.3
109.02808	3.1
111.04408	1.3
124.05207	1.3
129.48642	1.3
135.04434	3.1
151.00285	1.5
152.99481	4.2
171.10216	6.6
191.05534	2.7
201.11163	2.6
201.64558	1.4
277.21777	4.9
348.91122	1.3
456.65088	1.4
473.29230	1.5
532.61346	1.5
666.25348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80957	0.5
51.84583	0.5
52.76884	0.4
56.13002	0.5
57.03308	1.7
57.22612	0.4
59.01247	5.3
65.03823	2.6
67.01751	0.7
71.01257	3.2
72.99233	0.6
73.02805	1.0
75.00725	0.5
79.64635	0.5
83.01273	0.7
85.02830	1.8
87.00758	0.9
89.02320	1.7
93.03339	4.4
96.95909	1.3
98.19691	1.2
99.04368	0.7
101.02310	3.0
106.06493	0.9
107.04904	6.6
108.02050	0.9
109.02833	5.9
113.02341	1.7
118.56944	0.5
119.03374	0.6
119.47642	0.5
121.02843	2.5
122.03630	2.1
123.04442	1.4
125.02320	0.5
133.02876	0.8
133.04927	0.8
135.02818	0.6
135.04448	2.7
137.02383	0.9
145.02840	0.7
147.04449	0.8
148.31032	0.4
149.02339	4.2
150.03108	1.8
150.70111	0.4
151.03914	100.0
152.01013	0.6
152.04239	3.0
153.01846	1.4
153.05501	0.5
161.02367	0.6
161.04492	0.6
161.05888	0.5
163.03934	3.1
165.01833	0.5
165.05473	1.0
173.04471	1.5
177.01865	1.0
179.03435	0.6
179.06990	0.6
191.03464	1.4
191.05550	4.5
193.05022	0.9
199.04996	0.5
239.12910	1.3
257.08167	36.8
258.08508	2.4
271.02509	0.7
301.03452	0.5
353.08859	1.1
359.14975	0.6
361.16348	3.7
376.24884	0.5
389.15985	1.1
401.12326	0.6
402.86990	0.5
419.13474	8.7
420.13898	1.1
461.14539	47.1
462.14700	5.2
463.16360	0.7
483.96924	0.6
522.63995	0.5
685.28632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.9
65.00190	2.7
71.01241	6.3
71.58359	3.0
72.30363	1.5
72.99178	2.1
73.02820	2.2
83.01255	2.4
85.02808	2.1
87.00747	1.8
89.02323	2.9
93.03329	6.1
95.01257	1.8
96.95867	6.0
98.96316	1.6
101.02321	2.0
107.01257	1.7
109.02827	2.6
109.99936	2.9
111.04530	2.1
121.02822	3.3
123.04440	2.5
125.02328	2.7
128.14288	1.7
133.02815	5.0
135.04431	4.1
139.00279	3.2
142.25415	1.7
145.40979	1.6
151.00198	5.6
155.04913	2.4
164.07104	2.7
164.98166	3.4
165.01823	2.2
165.98975	6.6
171.04414	2.1
173.04488	3.7
176.55675	1.7
178.99803	3.4
179.03352	2.0
191.05585	15.7
199.03932	3.0
211.04024	2.6
215.03430	7.6
227.03346	5.2
243.02965	14.4
245.04695	2.1
254.02249	2.5
255.02975	23.9
256.03354	2.9
267.06415	2.1
271.02478	72.3
272.03073	9.6
283.02435	3.4
299.01962	80.7
300.02698	36.3
301.03513	58.8
302.03799	6.0
449.25546	1.8
462.08017	19.3
463.08838	14.2
464.09232	2.2
503.68085	2.1
504.08899	6.5
505.09778	100.0
506.10104	10.2
547.11157	2.6
667.15094	61.7
668.15710	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1516
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
59.01250	3.0
63.02254	1.3
65.00187	2.6
68.65553	0.4
70.56049	0.4
71.01242	1.7
71.58015	0.4
71.58413	0.5
80.15720	0.4
83.01275	2.0
85.02811	0.8
87.00781	0.7
89.02302	2.5
89.18057	0.4
91.01784	0.4
93.03320	2.2
96.95854	0.7
101.02306	1.4
107.01268	6.0
108.02055	1.1
109.02835	1.6
112.90578	0.4
113.02332	1.1
119.03388	0.6
121.02848	4.2
135.00769	0.9
135.04396	0.6
137.02333	1.0
139.03918	0.5
147.04314	0.4
148.01575	1.0
149.04445	0.5
151.00273	23.6
152.00726	1.0
153.01868	0.5
161.02345	0.4
161.04381	0.4
161.06026	0.5
163.00246	2.1
164.01160	0.6
169.01320	2.6
173.04486	1.1
178.99780	12.0
179.05606	0.4
187.03987	0.6
191.05545	7.1
192.05869	0.6
193.01244	0.5
199.03952	0.8
211.03943	1.2
215.03406	0.6
216.04250	0.4
226.02682	1.2
227.03485	2.6
229.05017	1.0
239.03331	0.4
243.02979	7.5
244.03464	0.5
245.04523	1.3
254.02115	1.7
255.02974	19.6
256.03296	1.6
257.04367	0.5
271.02466	41.1
272.02982	4.3
273.04016	1.3
283.02328	0.8
299.01926	3.4
300.02740	79.4
301.03494	98.3
302.03867	7.0
318.05573	0.8
341.17285	0.5
343.04782	0.5
387.14206	0.5
399.07852	0.5
401.06509	0.6
439.78903	0.4
463.08810	13.2
464.08978	1.5
505.09882	100.0
506.02972	0.9
506.10153	10.9
535.27454	0.5
667.15015	6.0
667.32764	3.1
668.15497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1508
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
54.14326	0.2
56.87423	0.2
59.01250	0.6
63.02285	0.7
65.00222	1.0
66.92151	0.2
71.57289	0.5
71.57688	0.3
82.05456	0.2
83.01261	0.9
85.02846	0.2
93.03342	0.3
97.00713	0.3
101.02308	0.3
107.01273	1.9
109.02847	1.1
116.92741	0.4
121.02848	1.1
125.02336	0.3
133.02884	1.0
135.00786	0.5
135.04402	0.4
137.02304	0.3
139.03857	0.3
147.00807	0.5
149.02388	0.6
151.00288	6.9
151.01511	0.4
157.02907	0.3
159.04410	0.3
161.02347	0.4
163.00246	0.8
163.04076	0.3
164.01086	0.3
167.74835	0.2
169.01395	0.5
171.04443	1.2
173.02341	0.4
175.00319	1.2
175.03947	0.9
177.02040	0.3
178.99719	1.8
183.04456	0.6
185.02393	0.5
185.06023	0.3
187.03928	0.9
189.01981	0.3
190.99818	0.4
191.05537	1.1
192.00587	0.3
193.01431	0.3
197.02463	0.4
199.03970	4.9
201.01813	1.5
201.05521	0.5
202.15942	0.2
203.03459	0.9
211.03856	0.4
213.01874	0.4
215.03436	2.5
226.02612	1.3
227.03429	4.6
229.05150	0.4
242.02171	0.6
243.02977	6.0
244.03395	0.5
245.04433	0.3
254.02219	0.5
255.02977	2.3
256.03644	0.3
271.02475	66.3
272.02850	5.2
282.01596	0.3
285.03854	0.3
297.04437	0.4
299.01959	100.0
300.02576	16.2
301.03513	33.1
302.03876	2.2
313.03522	0.9
314.04291	0.3
343.04483	1.5
462.08041	25.8
463.02118	0.6
463.08725	15.0
464.09412	1.2
505.09872	15.4
506.10486	1.9
547.11023	0.9
625.14026	1.1
667.15125	52.9
668.15485	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47580	2.3
55.01765	3.5
57.03316	4.2
58.00440	2.9
59.01249	100.0
59.43766	2.3
69.33077	10.7
69.33499	12.5
71.01252	65.6
72.99169	4.9
73.02825	15.9
78.95782	3.3
83.01257	8.8
85.02826	26.5
87.00720	4.0
87.04393	3.0
89.02314	26.2
93.03326	3.5
95.01260	4.8
95.63375	2.4
96.95880	2.8
99.00757	5.0
100.50460	2.3
101.02322	38.9
109.02784	2.4
111.00761	3.3
113.02339	30.6
119.03385	10.2
125.02357	7.1
129.01717	2.9
131.66669	2.6
135.04407	5.8
143.03375	5.9
161.04427	11.7
173.04475	4.1
175.11221	2.1
178.06082	2.6
191.05527	11.8
218.91017	2.8
325.36160	2.7
399.23874	12.7
417.24963	7.5
449.59515	2.7
561.29095	93.9
562.29834	11.6
577.40979	2.7
579.30176	70.7
580.30713	14.8
621.31323	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63887	0.5
55.01761	1.3
59.01252	9.3
65.00175	0.7
65.03826	2.2
67.01752	2.5
70.91855	1.5
71.01252	4.3
73.02793	1.1
75.09605	0.6
78.13048	0.5
79.05400	3.1
83.01260	0.7
85.02813	2.3
89.02325	1.6
91.01785	4.5
93.03361	3.5
96.95898	5.5
101.02317	2.6
107.04900	1.3
108.02064	1.4
109.02132	1.0
109.02837	10.9
112.23515	0.6
113.02326	1.4
115.00363	0.6
117.03297	0.7
119.01145	0.6
119.03375	0.6
119.04936	0.8
121.02846	2.1
123.04410	47.1
124.04742	1.8
125.02316	1.0
133.02827	1.8
135.00781	5.1
135.04399	6.1
137.02342	51.9
138.02663	1.2
141.72623	0.6
145.02818	0.6
147.04431	3.0
148.01535	0.8
149.02296	1.6
149.06044	0.7
149.12085	0.5
151.03912	23.3
152.01070	1.1
153.01831	7.1
159.01503	0.7
159.04414	1.3
161.02350	1.6
162.02988	0.6
163.00235	1.2
163.03914	6.5
167.04924	0.5
171.04305	0.5
173.02385	1.4
173.04541	1.1
173.05951	0.8
174.44489	0.5
175.00325	0.6
175.03935	1.4
177.01900	1.3
177.05522	2.0
179.03400	1.1
185.06036	0.6
187.03868	2.0
189.05556	1.2
191.05518	3.6
193.06514	0.7
195.02914	0.9
195.04469	0.8
196.34035	0.6
196.48724	0.6
197.05923	1.5
199.03969	0.6
201.05495	1.0
203.03302	0.8
209.06012	4.4
211.03944	2.3
213.05511	1.6
217.01463	0.8
219.04411	0.7
221.06073	1.7
223.03946	1.6
223.07570	1.2
225.05522	1.0
226.99840	0.8
229.05020	2.2
235.03926	2.2
237.05554	9.8
238.05959	1.2
239.03340	0.9
239.07129	1.0
241.05106	3.3
249.05527	2.5
251.03493	1.1
251.07204	1.0
253.05002	2.4
264.04236	0.6
265.05096	7.3
266.05539	0.9
267.03055	1.2
267.06546	3.5
273.04092	2.8
279.06564	1.0
285.04077	2.1
293.04553	10.1
294.05130	1.1
295.06088	3.0
309.04135	3.4
309.07181	0.7
323.05646	0.9
337.03497	23.5
338.03842	1.7
351.08942	0.6
354.03653	0.9
405.06229	0.9
455.07590	0.8
457.05496	2.5
461.08881	6.9
462.09238	1.2
469.09482	0.7
471.07199	1.0
475.10284	0.8
485.08798	0.8
488.07623	2.8
489.08261	100.0
490.08588	11.3
497.08694	3.8
515.09808	1.0
553.11249	0.6
557.11200	1.1
579.29541	0.8
607.36987	0.8
621.14703	0.8
625.13696	1.8
649.13263	3.2
650.14160	0.8
667.14575	1.9
667.28839	1.1
667.38739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53125	3.5
52.90100	3.2
52.99806	3.4
59.01252	45.2
60.66213	3.6
70.88026	10.4
71.01266	20.3
72.04429	3.7
73.02829	5.5
74.02347	69.9
83.01279	4.7
85.02815	16.5
87.00777	4.3
89.02322	10.5
93.03329	12.9
96.95882	17.7
98.02354	4.9
98.89569	4.3
101.02326	11.7
108.02039	8.9
109.02840	71.4
110.03157	5.4
113.02355	7.0
116.03422	56.1
117.03776	6.7
119.04916	6.3
121.02829	4.0
123.04445	6.5
125.02344	4.6
133.02823	9.1
134.03586	5.1
135.04422	61.8
137.02344	6.8
144.66957	4.0
146.03635	20.5
147.04366	14.5
148.05194	15.0
149.02281	4.0
149.06021	5.0
153.01752	4.8
159.04420	75.3
160.05121	12.2
161.02382	4.3
161.05917	6.5
163.03854	4.3
171.04514	5.6
171.10197	6.2
172.05177	18.9
173.04431	9.9
173.05975	15.6
174.03152	5.9
175.03775	3.9
179.03391	4.4
183.04425	15.8
184.05318	7.1
185.06024	16.0
186.06772	11.3
187.03897	9.1
187.07608	3.9
188.04697	4.2
191.05547	64.3
192.05872	16.2
193.06001	5.5
196.05258	10.7
197.06064	23.6
198.06659	6.9
199.07617	5.8
200.04597	6.5
201.11220	10.2
203.03442	52.0
209.06032	5.8
210.06693	4.6
211.03935	5.5
211.07561	7.0
212.04741	8.5
213.05598	5.3
213.09346	6.3
213.11136	17.4
214.02701	5.9
215.10751	5.5
215.12740	33.7
225.05513	16.0
225.09151	4.7
227.03464	3.8
227.10748	15.7
229.12274	13.0
239.10643	8.7
240.07811	5.1
241.12369	18.4
251.10760	8.0
253.12271	13.5
255.13875	9.2
257.11874	8.9
263.06964	5.5
264.07898	18.5
265.04965	9.2
267.06451	4.1
268.07227	4.6
269.11728	6.8
283.13406	11.5
291.06680	12.6
292.07428	58.0
293.08035	21.3
294.08972	8.0
295.13382	11.8
305.08087	4.5
306.08704	5.2
307.09616	13.9
308.10385	5.7
329.08212	5.9
341.10269	3.9
348.15790	8.9
359.15021	4.5
360.15680	8.8
361.14355	35.5
362.14838	4.2
363.15991	21.9
375.15930	8.5
377.17505	9.7
398.17169	7.9
399.21729	8.1
405.16904	7.0
411.21664	7.8
417.22803	71.3
418.23141	6.3
419.22308	6.9
429.22934	25.7
430.23190	4.6
437.23264	6.1
441.22702	12.5
455.24066	19.9
467.24414	39.4
471.23535	6.0
472.24374	9.0
473.24359	6.9
508.20984	6.1
559.26917	15.1
563.34589	5.2
576.33795	8.6
577.27478	100.0
577.33508	13.2
578.27911	19.4
607.16003	6.5
621.27142	12.1
665.19617	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22974	5.8
57.03321	7.1
59.01249	63.5
61.98711	8.0
71.01251	23.0
71.58159	5.8
73.02832	6.9
83.04881	5.2
85.02824	19.6
87.00730	5.4
89.02319	26.5
93.03327	24.0
96.95882	53.1
101.02333	15.9
108.02010	5.7
109.02850	59.2
113.02360	12.5
116.92721	7.5
119.04904	7.1
123.04374	6.0
125.09668	8.4
134.03685	8.8
135.04413	67.0
137.02336	19.0
140.37070	5.8
146.03636	14.5
147.02893	7.1
147.04437	19.9
148.05214	10.4
149.05969	6.3
151.03958	8.7
153.01727	5.6
159.04446	56.1
160.05148	15.2
161.05930	10.4
165.01793	6.0
171.10168	16.6
172.05222	16.2
173.04552	12.9
173.05986	13.2
183.04449	7.5
184.98734	5.4
185.06027	7.4
186.06758	15.5
191.03853	3.6
191.05539	100.0
191.07162	10.6
192.05896	25.0
193.06020	5.8
196.05193	11.6
197.06006	12.8
198.06711	9.6
199.03841	6.3
203.03439	52.5
209.06070	6.5
211.13330	6.0
212.04826	9.1
213.05426	7.9
213.11290	14.6
215.10939	8.1
215.12865	24.1
225.05501	15.0
227.10794	11.4
229.12427	7.2
237.09250	5.8
241.12289	16.6
241.27760	5.3
250.98654	5.2
253.12209	11.2
257.11899	5.9
264.07819	10.4
265.05045	13.0
268.07349	6.4
277.05020	6.6
279.06155	6.1
291.06570	9.7
292.07376	26.1
293.08163	14.2
294.09055	6.2
295.13214	6.5
305.08350	8.8
307.09631	6.7
309.20691	6.8
323.09329	10.9
330.78848	6.5
341.10519	9.4
348.15732	11.6
359.15030	8.7
361.14539	11.7
363.15894	13.5
375.16013	8.5
377.17514	12.1
398.17416	6.3
417.22775	66.1
429.22626	26.9
437.23566	9.7
441.22781	9.1
454.23175	11.0
455.24200	22.6
465.32150	6.1
467.24298	30.0
471.23828	6.3
473.25040	7.7
508.20923	6.4
559.27026	13.1
577.27960	84.2
578.28333	13.3
607.16888	7.1
621.26617	9.0
647.18750	13.2
665.20166	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67363	1.3
57.03333	1.8
59.01256	8.2
60.67154	1.2
70.02406	2.8
70.02814	3.7
71.01255	2.8
81.46210	1.2
93.03334	1.4
95.04903	1.6
96.95925	1.6
107.04855	1.7
108.02064	4.6
109.02842	45.5
110.03175	1.5
119.04894	1.1
123.04418	1.7
125.09621	3.8
133.02885	2.9
135.04427	50.4
136.04779	2.2
137.02409	1.4
140.23143	1.2
145.02869	2.8
146.03653	11.9
147.04424	12.0
148.05180	5.0
158.03656	3.3
159.04437	34.5
160.05223	14.4
160.99460	1.3
161.02379	2.9
161.06030	7.8
162.03252	1.4
171.04521	3.3
171.10220	8.2
172.05212	11.8
173.05978	11.0
174.03152	2.3
175.03893	1.5
179.03433	2.4
182.03676	3.4
183.04454	11.2
184.05205	2.8
185.05971	8.1
186.06821	8.6
187.03923	4.7
187.07521	1.6
188.04733	3.0
191.03438	14.8
191.05272	2.7
196.05206	4.8
197.06017	10.2
197.11737	2.2
198.06886	7.5
199.03955	3.8
199.07573	4.9
199.09387	1.7
200.04724	4.9
201.01630	1.7
201.05493	3.4
201.09541	1.4
201.11197	6.2
203.03395	7.3
209.05975	3.9
211.03961	3.2
211.07611	3.1
212.04689	5.3
212.08180	2.2
213.05502	3.8
213.09172	5.4
213.11311	12.1
214.02411	1.7
214.06271	1.5
214.09741	2.7
215.10680	7.8
215.12863	19.0
223.07498	2.0
224.08276	1.5
225.05432	2.6
225.09198	3.2
226.06250	2.8
227.07158	1.7
227.10799	10.0
228.11418	3.5
229.12245	9.9
239.07169	1.4
239.10777	5.6
241.04938	1.7
241.12363	13.4
241.14688	2.2
251.10747	5.4
253.12430	3.5
254.09547	1.9
254.12666	1.3
255.13919	4.5
257.11813	9.3
263.07086	3.6
264.07907	5.0
265.08539	1.6
265.12338	3.5
267.06546	2.2
267.13840	2.0
268.07437	4.9
269.08234	1.5
269.11804	4.4
275.07208	2.4
277.05258	2.1
278.05685	2.7
279.06528	1.6
283.13477	4.2
291.06744	5.3
291.19617	1.6
292.07410	33.1
293.08099	12.1
294.08899	8.4
305.08389	2.0
306.08792	2.1
307.09808	4.0
308.10587	1.6
309.20422	1.9
318.08679	1.4
319.50659	1.7
348.15720	2.4
359.09070	2.6
359.15472	1.9
360.09656	4.6
360.15710	4.6
361.09906	3.4
361.14185	18.4
362.15005	2.5
363.16101	14.4
364.16357	2.1
375.06815	1.5
375.16135	5.0
377.17538	7.3
398.17395	5.1
405.16971	2.6
411.21701	4.3
417.22763	19.0
418.23645	1.7
423.21619	2.5
428.22122	2.5
429.22845	25.5
430.23154	3.5
437.23331	4.3
441.22849	9.1
442.16351	2.2
449.23334	2.6
455.24393	11.0
467.24347	34.6
467.29694	1.3
468.24701	3.0
471.13974	1.8
508.21280	2.3
511.23071	3.1
512.23877	1.3
541.26324	2.1
559.27124	6.6
560.27301	1.5
577.28070	100.0
578.28381	15.2
606.95374	1.3
621.27100	6.7
637.86346	2.1
652.98993	1.7
665.25891	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.9
59.13891	2.2
70.51143	2.0
70.54803	7.6
73.27108	1.9
83.74424	1.9
108.02059	4.3
109.02850	35.3
119.04819	2.5
125.09589	3.4
135.04408	49.6
146.03625	12.0
147.04422	12.4
148.05197	3.2
158.03642	3.0
159.04442	28.4
160.05293	11.7
161.06018	7.3
161.67570	2.1
163.29578	1.9
164.45081	2.1
171.10196	3.4
172.05203	8.3
173.06015	7.5
174.03157	3.4
183.04430	9.4
185.06004	7.6
186.06804	5.9
187.03955	3.3
188.04692	2.5
191.03438	14.2
191.05559	6.9
196.05272	4.9
197.05997	11.8
197.11807	2.5
198.06812	2.8
199.03926	2.1
199.07536	4.0
201.11253	4.2
203.03461	9.6
211.04053	3.1
211.07607	2.6
212.04703	6.1
213.05568	2.6
213.09177	7.6
213.11311	10.6
214.06409	2.6
215.10716	9.1
215.12862	16.8
217.12744	2.2
225.05554	2.4
225.09131	2.6
226.06326	2.3
227.10773	8.2
229.12338	8.9
239.10812	2.7
240.11569	2.3
241.12337	12.8
251.10847	6.2
255.13918	6.4
257.11755	10.5
263.07199	2.8
264.07883	4.7
265.12485	2.2
269.11847	3.2
274.65125	2.3
279.06573	2.6
283.13382	4.5
291.06528	4.0
292.07388	22.3
293.08145	8.9
294.08923	6.7
295.13712	3.4
307.10098	2.8
309.20645	2.3
348.15988	3.3
360.15662	5.6
361.14163	14.2
363.16028	13.3
375.15869	3.4
377.17654	6.4
398.17285	4.9
411.21692	7.1
417.22662	20.2
428.21973	3.9
429.22781	28.6
430.23114	3.4
435.18414	3.4
437.24036	3.2
441.22729	10.4
455.24249	10.3
467.24475	29.0
468.24948	2.6
559.26801	6.2
577.28131	100.0
578.28387	18.3
621.27063	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42591	3.0
57.03315	3.4
59.01251	50.8
61.26309	4.2
69.38893	8.2
69.39310	23.7
71.01262	32.2
72.95164	3.0
73.02809	11.4
78.95789	6.1
81.03304	3.7
83.01242	4.7
85.02827	11.1
87.00761	5.4
89.02304	13.1
93.03336	7.8
95.01261	8.3
96.95864	3.6
96.96832	3.9
101.02349	19.2
109.02853	9.7
113.02311	14.1
119.03410	6.9
121.02780	3.6
125.02339	4.9
135.04375	12.5
137.02333	11.4
139.00275	3.5
151.00285	17.2
161.04504	4.0
161.65022	3.5
163.03831	3.6
166.02634	52.8
167.03293	3.4
173.04468	12.4
177.01822	6.3
181.04999	70.7
189.05461	3.2
189.09111	4.4
191.05522	20.6
205.08679	5.0
219.06488	4.8
257.04443	3.8
383.95566	3.2
387.10681	12.1
399.23880	4.8
404.03720	3.4
417.10315	5.7
417.15659	100.0
417.21121	7.1
418.15854	12.0
426.17612	3.4
459.22366	11.9
491.28470	6.8
561.28888	23.6
579.30371	14.8
622.19104	4.0
665.24860	12.6
665.33313	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05912	3.7
59.01239	18.0
68.44310	4.4
69.03227	4.0
71.01234	6.3
71.04871	4.0
78.95785	5.1
81.03332	6.9
85.02818	6.3
93.03339	13.3
95.04858	4.9
96.95889	12.7
98.19737	6.7
108.02064	9.1
109.02833	100.0
109.06434	7.6
119.04887	8.3
121.02802	8.4
122.03638	6.2
123.04389	8.0
123.08053	6.3
125.09618	9.8
129.03351	5.8
133.02835	12.8
135.04410	25.4
137.05972	13.2
137.09610	5.3
144.27077	4.3
145.02835	11.7
146.03621	45.8
147.04422	87.1
148.04852	6.2
149.05986	4.4
158.03632	6.8
159.04428	61.2
161.02338	14.7
161.06021	4.7
171.10179	17.5
173.04480	10.9
175.03815	4.9
178.02693	4.8
179.03435	9.2
185.11629	4.5
189.01842	37.1
190.02672	22.8
191.03433	24.0
191.05518	14.9
201.01823	9.0
201.11279	15.7
203.03378	12.6
211.07596	7.5
211.09644	4.2
217.12320	5.7
229.31326	6.2
239.07123	14.7
245.11804	7.9
251.12584	5.5
266.05838	7.7
267.06570	38.0
268.07254	24.1
269.08151	55.8
270.08514	8.5
291.19769	8.3
307.18903	6.6
309.20734	12.9
311.05664	61.6
312.06351	27.5
313.07172	31.4
321.17047	29.6
327.21872	7.8
341.19885	4.7
389.23413	6.3
399.21603	12.7
413.98941	4.5
417.22781	45.1
418.23279	5.3
449.22833	5.4
467.24341	15.4
499.23395	17.2
577.28033	36.8
578.27954	7.2
599.36926	5.4
621.27161	31.0
622.27545	8.3
665.25574	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76563	1.3
51.08387	1.1
51.83408	1.1
57.03321	1.7
59.01264	6.4
60.99180	1.4
63.88010	1.3
65.03828	1.6
67.01769	8.4
70.01080	3.0
70.01481	3.5
71.01265	4.3
78.95806	1.3
81.03337	2.3
83.04910	2.1
85.02818	7.2
87.00750	8.5
89.02332	5.4
93.03339	50.0
105.03355	2.0
107.04894	1.5
108.02077	4.0
109.02850	5.2
110.63846	1.3
110.86844	1.3
111.04389	7.4
119.04919	2.1
121.02834	3.6
123.04422	1.6
124.01525	5.8
125.02330	3.6
125.09622	1.6
126.03154	2.1
132.02112	1.7
133.02866	14.3
134.03647	11.4
135.04422	100.0
136.04771	4.1
137.02345	9.1
137.06049	1.3
137.49889	1.2
139.03851	1.5
149.05980	1.6
150.03186	3.7
151.03911	11.8
155.03424	3.7
160.01620	2.0
160.61891	1.3
161.02304	6.4
161.39687	1.3
171.10124	1.6
173.04478	42.9
174.03265	1.4
174.04755	2.5
177.01837	6.4
177.05476	1.6
178.02620	7.1
179.03429	24.6
191.05545	61.0
192.05856	2.6
215.05536	5.8
241.04999	1.4
271.13513	2.1
299.12885	1.7
307.08231	6.2
308.09045	16.1
309.09360	1.7
311.22247	3.2
321.17163	1.6
351.07263	14.6
352.07919	11.8
353.08551	2.2
427.24951	5.1
445.01981	1.3
445.26007	6.4
453.22662	5.9
471.23856	27.8
472.24420	2.6
489.25168	2.6
663.30420	39.6
663.41486	2.9
663.65857	1.4
664.30646	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87951	0.3
59.01250	2.0
61.98703	100.0
64.49142	0.3
65.78709	0.3
69.23824	0.5
69.24227	3.7
70.05547	0.4
75.49755	0.3
141.01564	0.8
171.10280	0.7
289.18176	0.7
307.19226	1.5
540.47980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	28.7
67.01753	2.4
69.03326	2.0
69.47517	18.6
71.01239	9.3
73.02847	1.9
80.57609	1.7
82.59434	1.7
83.01213	2.4
85.02805	7.8
87.00759	2.1
89.02318	5.8
93.03325	5.6
94.02872	5.6
96.95883	11.4
98.02374	5.1
101.02315	7.2
108.04403	3.8
109.02864	2.3
110.02359	13.1
110.06000	8.3
111.04408	13.5
113.02334	4.5
120.08064	9.2
122.06009	15.0
123.04360	4.4
124.03932	4.0
125.02322	2.0
135.04436	7.2
136.03928	7.2
138.05501	6.3
143.03285	2.3
147.05540	2.5
150.05554	11.5
152.03433	11.7
154.05035	4.2
161.04610	3.9
162.05566	5.6
168.06587	5.5
173.04468	3.9
174.05502	8.2
191.05579	11.2
201.10237	13.3
203.05830	4.3
213.10266	9.2
227.11839	4.6
229.09779	14.3
229.13353	7.2
237.10292	3.9
239.08020	2.2
239.11844	4.9
241.09657	2.5
251.11871	2.3
253.09912	2.4
255.11305	10.9
257.09109	4.5
257.12881	6.3
267.11282	2.5
273.12445	13.5
279.11316	2.7
282.10095	3.0
283.10806	7.2
291.11536	2.5
293.12878	3.3
301.11893	33.2
302.12271	4.3
309.12347	2.6
311.10419	15.3
313.11929	5.4
317.11292	6.4
319.12979	56.4
320.13495	4.8
325.11935	2.8
329.11655	2.9
335.12463	24.6
336.12524	3.0
342.12274	2.4
343.13010	8.5
346.15521	2.9
372.13284	3.0
376.16364	3.1
386.15009	8.9
388.16714	3.9
400.12482	2.6
400.17056	3.5
403.04391	2.3
404.16241	4.9
414.14490	11.4
428.16217	6.6
429.16791	2.7
432.15179	3.5
434.20572	3.6
446.17126	4.6
527.23169	7.2
543.26428	2.1
545.24170	12.8
546.24701	3.1
551.23419	4.4
569.24091	20.5
570.23566	2.8
587.25128	30.7
588.25201	5.8
590.23132	4.0
601.25964	2.6
613.22974	9.4
619.35535	3.5
631.24030	39.2
632.24414	8.3
645.25439	7.9
663.26624	100.0
663.34778	4.9
664.26819	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	11.6
57.62599	1.1
59.00953	1.5
59.01249	29.7
65.92390	1.5
69.62236	1.1
71.01249	10.3
73.02789	1.9
76.79942	1.2
79.05351	1.1
83.01231	1.4
85.02829	4.9
87.00760	2.4
89.02316	6.8
93.03346	1.5
94.02863	2.6
99.04395	8.7
101.02325	8.7
108.04429	3.1
109.02841	2.6
110.05994	3.1
113.02336	5.9
115.66428	1.2
119.03391	3.1
119.04933	1.7
120.08109	1.6
121.02801	2.2
122.06004	7.3
124.03945	3.4
125.02317	4.8
131.42075	1.2
135.04398	2.1
136.01550	8.8
136.03940	5.9
137.02258	2.2
137.04701	2.2
138.05508	6.3
147.05553	3.2
150.05467	5.2
151.03908	16.1
161.04608	3.0
162.05560	1.8
163.03870	1.9
168.06570	1.3
173.04500	3.3
175.05040	3.2
179.05540	1.5
189.25075	1.6
191.05588	3.0
201.06723	1.4
201.10260	14.2
203.11841	2.8
213.10300	5.5
215.11864	2.2
227.11862	3.7
229.09769	17.4
229.13275	6.8
239.11836	9.0
241.09825	2.2
245.12782	1.8
247.10890	2.2
255.11377	3.7
257.12814	5.1
267.11139	1.5
273.12494	4.0
283.10699	2.7
285.12262	1.4
287.10397	1.8
289.11877	4.4
301.11938	24.2
309.12424	2.1
311.10422	2.3
317.11340	1.9
319.12973	100.0
320.13266	7.5
335.12381	6.2
342.11084	4.3
343.13007	3.7
344.13989	1.6
357.13440	25.8
358.13788	2.4
372.13422	1.8
386.15189	1.8
403.15414	3.1
404.15982	1.4
446.17291	2.0
519.25952	1.6
527.22919	5.7
545.24054	20.6
546.24280	3.9
559.27313	2.3
569.24048	4.9
577.28687	3.8
587.25024	44.8
588.25867	7.5
590.23840	6.1
613.23090	2.8
625.60840	1.3
631.24066	43.2
632.23932	7.5
663.26556	23.0
663.36761	2.1
664.26862	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94195	0.8
59.01250	12.5
71.01241	2.9
71.11916	1.7
84.04368	1.0
94.02870	3.1
94.06499	2.9
101.02327	1.3
108.04431	3.6
109.78399	1.1
110.06014	5.2
113.02361	1.2
119.04912	1.0
120.08041	2.2
121.05198	1.1
122.06004	10.9
124.03925	5.0
136.03940	4.8
137.04666	2.8
138.05510	7.7
144.04434	1.7
147.05499	2.8
150.05495	7.3
160.03998	1.3
160.78914	0.9
161.03494	1.4
161.04709	2.9
162.05498	2.1
168.06534	2.5
173.04514	1.6
174.05530	3.3
175.04967	2.9
175.33725	0.9
183.36819	1.0
191.05559	1.4
201.10292	15.4
203.05817	2.8
203.11815	1.9
211.08730	1.1
213.10251	7.5
215.11833	3.5
227.11859	4.6
229.09778	21.7
229.13354	8.6
236.09505	1.2
237.10251	1.7
239.11870	10.0
241.09778	2.9
243.11057	1.2
245.12898	2.2
247.10881	3.2
255.11375	6.4
257.12939	8.2
263.11807	0.9
267.11368	1.8
273.12469	5.6
275.14005	2.1
276.09308	1.0
281.09222	1.6
283.10779	4.4
289.11890	6.2
291.11429	1.9
301.11893	28.8
302.12265	1.2
309.12506	1.4
311.10519	1.4
316.10736	1.0
319.12976	100.0
320.13287	7.8
325.11816	1.4
326.26749	1.1
327.13339	5.1
330.12341	2.4
331.13168	1.4
342.12408	1.3
343.13062	5.2
344.13870	2.4
346.15710	1.4
358.15616	1.5
359.12823	1.3
360.13199	1.1
360.17325	1.6
370.15488	1.2
371.12717	2.3
372.13257	4.4
373.14319	1.1
377.13754	2.0
385.13873	1.2
385.22845	1.1
386.15082	7.1
387.15750	2.1
388.16550	3.6
390.14670	1.9
394.04294	1.2
400.17007	1.8
403.14948	2.8
404.16000	10.3
405.17004	5.4
406.17413	2.9
414.14545	3.3
415.15317	1.3
416.16116	2.0
418.14111	2.5
419.14685	1.3
428.16037	2.4
429.16809	1.2
432.15445	5.8
437.15976	5.4
446.17142	5.7
447.17645	4.7
450.16699	1.9
509.22415	1.6
519.26141	2.5
527.23016	7.4
539.22992	1.5
545.24072	15.7
546.24286	3.8
551.22906	2.6
557.24011	3.0
559.40369	1.2
569.24182	12.4
570.24176	2.1
571.21423	1.6
587.25098	44.2
587.34485	2.1
588.25409	8.0
590.23792	4.3
591.24548	1.3
613.23279	4.8
614.23651	1.7
619.27655	1.1
631.24097	61.5
632.24463	11.3
645.25165	4.1
663.26685	43.8
664.26624	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02459	1.0
54.99033	1.0
55.01757	1.3
58.00476	1.3
59.01255	35.9
60.33909	1.1
71.01255	20.4
71.48450	1.1
71.58921	1.9
72.99181	2.8
73.02818	2.4
78.95762	1.7
85.02814	6.3
87.00738	3.1
88.95067	1.2
88.98676	1.5
89.02328	15.0
93.03345	2.6
96.95877	8.0
101.02322	15.2
109.02843	2.0
110.02362	2.5
111.04391	3.7
112.50175	1.2
113.02364	7.3
119.03424	4.2
119.04920	100.0
120.05270	3.6
120.08094	1.7
121.02816	1.2
122.05984	1.9
123.04402	1.5
135.04459	2.4
136.07584	1.4
137.02351	2.7
138.05536	1.5
145.02899	2.4
153.01794	1.7
157.06505	4.3
161.04504	1.3
173.04474	5.3
174.05556	1.8
179.03394	1.3
191.05573	8.2
201.05550	6.4
201.10223	1.4
219.06558	3.2
229.09715	1.5
232.22556	1.1
239.11855	1.3
241.05103	1.2
255.11472	1.4
273.12341	2.1
283.10754	2.2
301.11902	5.4
303.09744	1.2
309.03888	1.4
311.10461	1.6
319.13019	11.5
320.13504	2.8
321.11285	51.5
322.11548	6.3
339.12143	1.2
343.12802	1.8
352.36154	1.4
414.14630	1.5
501.17661	93.5
502.18225	12.4
545.23816	3.5
569.23492	1.5
587.24878	7.6
613.23383	1.7
619.34680	1.7
631.23639	6.2
632.24054	1.5
645.25391	1.5
663.26294	14.3
663.36066	3.3
664.27264	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2305
Annotation	Flavaprenin 7,4'-diglucoside
Peak:m/z	Relative Intensity
50.08529	1.3
59.01258	7.1
60.31870	1.2
65.03835	2.6
67.01745	1.1
71.01254	3.9
71.58231	1.8
85.02856	1.3
89.02321	1.6
91.05416	21.1
93.03331	5.6
93.65573	1.3
96.95887	2.3
100.05891	1.1
101.02329	2.4
108.02066	3.2
109.02828	6.4
109.06454	2.5
110.02372	1.7
110.05950	1.4
111.04420	2.3
120.08028	1.5
121.02854	9.9
122.03629	5.3
122.05981	2.1
123.04406	2.2
125.67276	1.3
128.17596	1.1
132.53036	1.3
133.02808	6.8
134.03644	12.2
135.04419	100.0
136.04770	2.3
147.04471	2.5
148.05193	3.0
149.05977	16.5
152.03394	1.6
155.03462	1.4
157.06534	1.5
159.08058	4.4
161.02356	91.3
162.02699	4.8
173.04433	2.7
177.09128	68.7
178.09441	2.6
189.09149	9.3
191.05504	4.6
203.07227	8.0
203.10722	63.1
204.11078	4.5
219.10193	4.8
221.08090	15.7
229.13251	1.2
255.11395	2.2
273.12466	1.4
277.05017	3.4
301.11908	5.7
317.01318	1.3
319.12909	8.7
321.11337	22.5
322.11624	2.6
339.12296	75.0
339.16028	42.5
340.12643	6.8
340.16415	4.6
381.13428	1.4
386.14999	2.0
403.09311	1.2
457.24142	3.5
483.16464	4.2
484.16898	1.4
501.17099	91.4
502.17599	14.3
545.23840	2.4
569.23920	2.8
587.25043	6.3
588.49786	1.4
592.11578	1.4
619.26666	2.6
631.23804	5.4
645.25629	2.1
663.26471	14.3
663.36969	2.1
664.27112	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.3
65.03835	2.1
67.01776	0.7
70.56878	2.5
71.01263	3.5
73.02820	1.1
85.02864	1.8
87.00768	1.0
89.02312	2.0
91.05410	11.0
93.03336	3.8
95.01293	0.7
96.95878	2.5
98.02337	0.6
98.19685	0.7
98.95467	1.6
99.92448	0.8
101.02325	2.7
108.02065	4.3
109.02850	6.3
109.06483	3.6
110.06041	0.9
113.02357	0.8
116.92729	4.1
117.03341	0.7
119.03404	0.6
121.02849	8.5
122.03634	10.5
122.06037	1.7
125.02288	0.8
133.02840	4.1
133.10120	1.2
134.03702	1.2
135.04417	64.7
136.04758	2.0
137.02332	1.6
150.03067	0.7
153.01808	1.1
159.08046	1.9
161.02353	93.3
162.02739	3.6
173.04491	2.6
177.01910	1.4
177.09132	100.0
178.09512	4.2
191.05530	5.3
203.07091	2.0
217.08543	0.9
219.31598	0.6
221.08147	4.6
227.03203	0.9
229.08614	1.6
236.55821	0.6
241.04872	0.9
277.04965	1.5
299.01736	1.2
301.11868	1.8
311.10410	0.7
319.12939	2.9
321.11316	11.0
322.11621	1.5
339.12366	29.1
340.12628	3.4
363.12173	1.0
381.13358	1.0
483.16794	3.9
501.17679	49.4
502.18109	6.2
504.08789	1.0
519.31720	0.8
555.24500	0.9
587.24829	2.9
631.24371	3.0
635.90503	0.8
663.26392	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86419	0.8
55.01752	0.9
57.03326	56.2
58.00447	1.3
58.03657	1.2
59.00946	1.6
59.01250	32.7
61.98705	0.7
69.03337	0.8
71.01255	21.8
71.57975	1.1
72.03706	0.9
72.99179	2.3
73.02829	4.6
78.95781	2.3
81.03343	2.3
83.01261	2.9
83.04923	1.0
85.02825	8.2
87.00751	3.3
89.02318	11.3
93.03331	4.8
95.01272	1.0
95.04917	0.9
96.04395	0.8
96.95903	3.1
96.96843	1.2
97.02866	0.9
99.00745	1.1
99.04398	36.6
101.02326	22.8
108.02055	2.0
109.02843	3.6
111.00786	1.6
111.04424	1.3
113.02332	10.1
119.03399	5.0
119.04906	2.4
121.02825	6.0
121.05219	0.7
122.03619	2.1
122.06030	2.0
123.00769	1.7
123.04381	0.9
124.01606	1.7
125.02341	28.4
126.02610	1.0
133.02875	1.4
133.20259	0.8
134.03642	1.3
135.04384	5.3
136.01570	45.6
136.07614	1.3
137.02371	6.4
138.03085	0.8
143.03418	2.5
149.02403	1.1
149.05974	0.9
150.05560	1.2
151.03928	61.3
152.00996	1.3
152.04211	2.5
153.01831	1.0
155.03461	0.9
159.03029	0.9
159.04410	0.9
160.05142	1.3
161.02388	1.9
161.04468	3.8
161.05928	0.8
162.03215	1.9
162.05515	1.0
163.03928	7.8
165.01956	0.9
165.05522	1.1
169.70740	0.9
171.10217	0.8
173.04492	8.5
175.03899	2.2
175.07578	1.8
177.05444	1.8
178.99823	0.9
179.03418	3.0
179.05632	1.8
181.04822	0.9
189.05537	1.1
191.05534	8.1
197.55141	0.8
204.17625	1.0
213.10617	0.7
229.09801	1.6
229.13329	0.9
257.12796	0.9
275.14011	1.1
285.03922	1.3
291.11349	1.0
301.11911	1.7
319.13062	8.1
328.24875	1.4
332.85577	0.8
335.12646	1.3
342.11105	19.7
343.11612	1.3
353.95331	0.8
357.13431	100.0
358.13812	10.0
501.17947	2.2
502.30243	2.5
559.27167	2.8
561.28967	1.3
577.28430	2.9
587.25018	3.3
604.36969	1.9
613.49591	1.0
622.38220	1.5
631.23969	3.5
663.26117	2.9
663.36713	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	47.1
58.03652	0.9
59.01252	9.0
69.54047	2.0
69.54476	2.3
71.01259	4.6
81.03333	1.4
85.02828	1.2
88.36831	0.5
89.02316	1.7
93.03378	1.5
94.02836	0.9
96.95911	1.0
98.19900	0.9
99.04398	25.7
100.04690	0.6
101.02329	11.5
108.02081	1.1
108.04433	1.5
109.02874	0.9
113.02316	1.5
119.03387	1.2
119.04916	2.2
120.08047	0.9
121.02864	3.5
122.03635	1.6
122.06008	5.1
123.00774	0.5
124.01506	0.5
124.03941	1.0
125.02347	18.8
134.03653	0.7
134.06004	0.6
135.04399	0.8
136.01567	60.3
136.03908	2.2
136.07582	3.2
137.02023	1.8
138.05518	0.6
143.03412	0.9
147.05591	0.7
149.02290	0.7
150.05493	2.8
151.03920	83.2
152.04326	2.9
152.07080	0.6
160.05177	1.5
161.02411	0.8
161.04532	1.4
162.03104	0.5
163.03954	1.1
167.03415	0.9
173.04523	0.6
175.03876	1.1
175.07539	0.7
177.01889	0.6
177.05484	1.1
179.03415	0.7
179.05515	0.6
186.09189	1.5
191.05579	2.0
201.10260	1.5
202.07286	0.7
202.12263	1.2
212.10823	0.6
213.10048	0.5
215.08240	0.6
227.11958	0.8
228.10255	1.1
229.09752	6.7
229.13405	1.0
230.12050	2.4
239.11780	0.8
241.05147	0.6
241.09821	0.9
245.09227	1.4
247.10988	0.6
255.11304	2.0
257.09320	2.2
273.12445	7.7
283.10809	0.6
301.12030	3.0
317.11456	7.2
318.11737	0.8
319.12991	11.0
320.13513	1.1
321.11166	0.6
327.12433	1.1
335.12494	36.9
336.12927	3.2
339.12375	1.8
342.11057	4.6
343.11902	0.7
357.13434	100.0
358.13751	10.5
386.15237	0.9
404.16232	0.7
501.17599	4.7
502.18253	0.7
519.19171	0.6
527.22998	1.0
543.55389	0.5
545.23975	2.6
546.25342	0.6
561.29437	1.1
569.24115	1.4
587.24915	4.6
588.25262	0.8
590.23724	0.7
619.27631	0.6
631.23993	6.4
663.26050	4.7
664.26196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85557	1.6
55.01730	1.5
59.01243	8.3
65.03837	2.3
67.01765	3.2
71.01247	7.1
73.53996	1.2
79.05405	5.9
87.00741	1.4
89.02312	6.4
91.05395	3.2
91.26015	1.3
95.50517	1.1
98.19754	3.0
101.02309	5.0
105.03341	4.1
107.04913	9.1
109.02840	27.9
113.02300	3.0
121.02840	5.0
123.04405	62.2
125.02367	2.2
131.04913	1.6
131.08513	1.3
133.02867	2.1
135.04413	13.4
147.04376	2.3
157.02809	2.1
157.06502	2.8
159.04352	4.2
161.02296	4.6
161.04553	1.6
164.04720	1.5
165.05507	6.3
171.10172	1.4
173.06006	2.3
175.07556	46.7
176.07832	2.4
191.05373	1.4
193.08632	31.7
194.09010	1.4
196.05174	1.7
197.05975	3.0
199.03955	4.9
199.13249	1.2
211.03944	3.9
215.73163	1.2
217.08644	7.2
219.06552	2.1
219.19186	1.4
227.07082	19.9
228.07478	3.0
235.09698	4.3
237.07545	2.0
241.05025	25.6
241.07739	1.2
241.08678	2.3
242.05363	2.1
253.05067	3.0
258.62189	1.3
265.05099	1.8
265.21710	14.9
267.06564	1.9
290.23279	1.3
291.06790	2.0
293.04517	7.2
305.08258	5.1
307.06061	3.8
307.09732	4.6
311.13077	1.8
331.27805	1.2
343.05991	3.2
344.06659	1.3
346.60370	1.3
357.07745	14.7
358.07947	1.8
359.09241	100.0
360.09726	11.0
397.13382	10.5
403.15424	1.5
415.14502	3.7
421.16833	2.9
427.11755	2.6
441.13239	3.3
451.11783	4.4
469.12912	54.2
470.13242	8.6
485.12460	2.1
535.17859	2.0
538.78491	1.4
553.18610	3.3
645.22162	5.2
663.22229	18.7
664.22614	3.6
675.17175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71542	1.9
53.04728	1.9
58.31364	2.1
59.01236	2.4
65.03826	9.0
65.72703	1.9
67.01760	10.7
69.72372	2.0
70.91383	5.9
75.41424	1.9
91.05408	15.1
93.03369	2.9
100.53404	2.0
107.04913	4.1
108.01999	2.5
109.02837	82.4
121.02857	12.6
131.08524	4.0
133.02863	4.5
133.06508	4.9
135.04417	65.1
136.04756	4.0
157.02863	5.3
159.04433	4.5
161.02341	2.8
173.06033	7.4
174.61519	2.3
175.07544	24.3
177.05528	24.9
191.05533	3.6
193.08559	3.2
195.36629	2.2
196.05231	6.2
197.05995	9.0
199.03944	23.3
199.07608	3.9
201.09157	9.3
227.07086	6.9
235.09769	8.6
239.07254	3.9
241.05022	100.0
242.05328	9.9
253.05045	11.8
261.11191	6.7
267.06601	14.3
291.06601	7.0
293.08026	2.7
305.08200	22.0
306.08539	3.3
307.06284	4.4
307.09576	16.5
311.12964	3.6
327.10422	2.6
331.09720	4.8
333.11313	12.1
345.10934	2.5
359.09177	17.4
403.15503	17.0
421.16516	4.8
425.10065	3.0
427.11792	10.6
433.11063	3.3
439.11765	14.0
443.14972	24.7
451.11328	2.8
453.74902	2.3
469.13037	9.5
474.51624	2.5
477.13336	2.6
483.14261	11.9
487.14200	2.8
535.17432	21.5
536.18188	5.3
553.18573	22.6
645.21301	68.4
645.32037	3.7
646.21234	14.2
663.22382	72.6
664.22736	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.2
59.26123	0.9
65.03830	2.4
67.01761	3.1
71.01254	2.5
71.37955	2.0
80.02568	1.0
81.03338	1.7
81.41648	1.0
83.04873	1.7
83.18517	1.0
83.18990	1.1
85.02827	9.7
86.03162	1.2
87.00738	4.2
89.03889	0.9
91.05415	2.2
93.03341	17.2
94.03666	2.0
96.95911	2.0
105.03389	1.0
107.04947	1.4
108.02051	12.1
109.02852	18.2
109.06466	2.8
111.00782	1.1
111.04387	4.1
116.92755	1.8
121.02854	5.9
122.03644	6.7
123.04391	1.8
124.01582	1.8
127.03923	1.6
132.02057	1.1
133.02861	11.8
134.03699	6.8
135.04419	46.7
136.04776	11.1
137.02362	6.3
137.04961	2.7
137.09680	1.2
148.05200	1.0
149.05978	1.0
150.03111	2.2
151.03885	4.2
152.04208	1.3
155.03525	1.3
157.02893	2.2
157.06502	1.1
159.08009	2.2
160.01572	1.8
161.02368	8.1
162.02634	2.0
171.10172	1.9
173.04478	26.1
174.04776	3.4
175.03871	2.6
175.05174	1.5
175.07549	0.9
177.01834	5.2
177.07614	2.0
177.09120	27.1
178.02679	6.3
178.09430	1.7
179.03418	11.3
180.03795	2.3
187.03899	1.1
191.05539	100.0
192.05884	16.3
193.05988	9.1
193.08443	1.3
196.05299	2.2
197.05966	2.9
197.79120	1.0
199.03862	5.1
199.07591	1.4
200.04428	1.3
203.07100	3.9
205.08627	1.4
215.05505	1.5
217.04991	2.0
221.08142	11.9
225.05534	47.3
226.05835	3.3
239.07039	1.7
241.05031	23.9
242.05368	1.7
243.06592	17.2
253.05038	1.2
267.06601	2.7
271.13434	1.4
279.06607	2.2
281.02057	1.1
281.08084	1.2
301.08627	1.5
307.06097	12.5
308.09024	2.2
309.20593	1.9
311.22253	4.3
323.08563	1.3
329.08188	1.9
349.07004	1.6
351.07178	4.2
352.07718	4.7
353.08224	4.8
354.09100	4.3
355.09296	1.7
356.06812	1.4
357.07660	58.5
358.08133	7.5
375.08728	6.2
415.24899	1.3
427.24933	6.6
439.11749	2.8
445.25769	6.5
449.10300	34.2
450.10538	4.3
453.22122	3.2
459.14423	3.2
467.11151	15.1
468.11395	1.2
469.22293	2.9
470.22482	3.2
471.23578	16.3
472.24048	2.0
485.12390	15.9
486.12784	2.2
489.24911	2.7
627.19843	1.2
645.21387	2.4
663.20288	9.9
663.30249	8.4
664.21637	2.0
664.31555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69094	1.6
59.01231	2.6
65.03836	8.8
67.01772	10.2
69.57757	8.0
69.58186	4.9
69.63185	1.7
79.05405	3.1
91.05409	10.0
93.03343	3.5
95.04852	1.7
105.06959	2.1
107.04899	5.2
109.02837	80.1
113.49272	1.7
113.71075	1.7
117.03293	2.5
121.02834	13.5
121.99866	1.5
122.29053	1.4
123.04340	1.8
125.09596	2.3
131.04883	1.6
131.08545	2.6
133.02795	4.4
133.06474	3.7
135.04416	64.2
136.04784	2.8
149.05936	4.7
157.02850	8.8
159.04367	5.1
161.02322	2.9
161.05968	2.9
167.67809	1.7
171.10104	1.8
173.04518	2.0
173.05963	7.6
175.07574	27.3
176.07910	1.5
177.05504	19.3
187.09775	1.9
191.05475	3.6
192.74350	1.5
193.08629	3.8
196.05223	8.4
197.06075	8.5
199.03963	21.8
199.07646	4.0
201.09129	11.0
201.11003	3.0
203.07080	2.6
211.03966	2.0
217.08646	2.7
223.07558	2.8
225.05386	2.2
227.07100	7.4
235.09741	8.5
236.10176	1.9
239.07079	5.1
241.05028	100.0
242.05333	6.1
253.05011	13.2
253.08636	1.9
261.11288	4.7
265.05161	3.6
267.06595	16.2
291.06781	9.7
293.04425	2.0
293.08209	4.5
305.08221	23.8
307.06351	2.5
307.09729	15.4
311.12814	3.2
318.72400	1.7
319.15582	1.9
321.16885	2.2
327.06503	3.4
329.08496	2.0
331.09784	4.1
331.18915	5.4
333.11240	7.8
337.10696	2.7
343.05807	2.0
345.11047	1.9
357.07300	3.6
359.09225	20.2
360.09448	2.1
403.15393	16.4
411.08643	9.8
421.11032	1.7
421.16321	8.5
425.10257	2.8
427.11877	7.2
428.11893	2.1
437.10178	2.4
439.11801	12.5
443.15051	20.3
443.21109	2.6
444.15521	3.4
451.11804	1.8
469.13071	13.5
483.14407	10.6
484.14621	2.2
487.13861	2.8
517.16235	2.9
535.17712	20.9
536.18011	3.8
553.18665	18.8
554.19116	4.3
568.28180	2.1
645.21338	67.7
646.21600	18.7
663.22314	82.4
664.22742	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03324	1.6
58.00461	1.9
59.01254	47.4
65.03809	0.5
67.01763	0.8
68.99677	0.7
69.03326	3.1
71.01255	43.0
72.01541	0.6
72.99180	3.9
73.02821	7.1
75.00751	0.9
81.03336	2.1
83.01256	5.0
83.04897	1.7
83.76879	0.5
85.02826	12.2
87.00745	11.5
88.44903	0.5
89.02319	37.8
91.03880	0.7
93.03343	5.1
95.01261	2.7
96.95875	0.7
97.02831	8.0
99.00762	2.9
99.04427	0.7
101.02324	37.7
101.30330	0.5
102.02655	0.9
109.02852	1.6
111.00742	0.6
111.04430	2.6
113.02334	16.0
115.03884	1.1
119.03389	12.0
119.04249	0.7
121.02835	1.5
123.04440	2.9
124.01546	0.8
125.02339	13.9
127.03908	0.8
131.03400	2.0
133.02803	0.6
133.04970	1.4
134.03647	6.9
135.04417	8.8
136.01584	3.4
137.02370	5.2
139.03897	1.9
139.11162	0.6
141.01781	0.7
143.03400	7.1
149.04436	1.8
151.03900	0.8
152.04713	0.7
154.34108	0.5
155.03448	1.8
161.04462	8.7
167.03424	0.9
173.04443	9.5
178.02603	0.7
179.03418	1.4
179.05537	8.4
185.04381	0.7
191.05540	18.9
192.05940	0.7
196.25935	0.5
199.13182	0.7
209.29645	0.7
217.07176	1.7
219.21101	0.5
221.06656	2.7
229.21098	0.7
235.08199	18.2
245.06795	0.7
253.09210	4.6
263.07736	2.0
263.20151	100.0
264.20462	8.3
277.09293	1.1
287.07703	4.3
291.19656	10.6
292.20215	0.6
305.08777	4.6
323.09869	2.1
351.07043	0.6
361.11621	0.6
379.12323	1.7
397.13495	80.6
398.13770	5.4
409.77582	0.5
415.14560	37.4
416.14993	2.1
425.23340	2.3
457.22293	1.1
469.22369	1.1
487.23334	10.2
488.24005	2.1
605.20001	0.6
661.28632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68166	0.7
54.78991	0.8
55.01766	1.6
55.70717	0.8
57.03307	2.6
58.00467	1.7
59.01254	51.6
67.01762	1.4
69.03330	3.5
71.01256	47.1
71.41848	0.8
71.45477	0.8
71.49515	1.6
72.99176	7.6
73.02819	10.1
75.00748	1.6
78.95786	2.7
81.03344	2.7
83.01258	6.9
83.04897	1.8
85.02829	11.4
87.00750	14.6
89.02319	41.8
90.02702	1.0
92.71782	0.8
93.03338	13.8
95.01273	3.2
96.95896	2.0
97.02822	6.9
99.00775	2.5
99.04381	0.9
101.02328	38.4
101.03003	2.0
102.02663	1.4
108.02070	1.0
109.02827	1.8
111.04409	3.3
113.02330	19.0
115.03893	1.2
119.03396	15.1
121.02837	1.4
125.02348	17.3
127.03950	1.7
131.03413	2.4
133.02820	1.2
134.03674	5.5
135.04422	10.7
136.01561	2.6
137.02350	5.5
139.00230	1.1
139.03926	1.2
140.01035	1.2
141.01819	1.1
143.03421	8.7
149.04457	1.2
151.03912	1.5
152.99541	1.1
155.03407	1.8
161.02351	0.8
161.04471	7.2
165.37469	0.9
169.05031	1.5
173.03082	1.5
173.04483	20.6
173.05995	1.1
178.02600	1.0
179.03398	3.1
179.05508	7.4
185.04463	0.9
191.05551	16.8
192.06010	0.8
203.05362	0.8
217.07114	1.0
221.06580	3.3
221.08585	0.8
233.06696	1.1
235.08208	16.3
236.08653	1.4
241.04851	1.2
245.06708	1.0
253.09270	5.4
261.18600	1.0
263.07632	2.3
263.20151	100.0
264.20529	7.1
264.94135	0.8
268.70624	0.9
277.09171	1.7
287.07813	3.8
291.19632	4.4
305.08734	4.4
307.18887	1.3
309.20712	0.9
323.09747	2.4
351.07336	0.9
353.08673	1.1
357.07654	1.0
361.11444	1.0
379.12411	1.4
397.13495	76.7
398.14063	5.2
415.14581	36.8
416.14734	1.7
425.23315	0.9
465.09506	1.4
487.23331	14.2
488.23730	1.8
570.72021	1.0
661.28680	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79339	1.9
59.01250	24.6
61.24089	2.2
71.01246	10.4
71.38273	4.5
85.02816	6.6
87.00771	3.4
89.02333	2.9
93.03332	8.1
94.06474	2.9
94.37408	2.4
95.04929	2.5
96.95892	37.6
106.06477	4.9
107.03662	2.8
109.02821	3.5
110.05966	8.2
113.02316	3.3
119.04906	2.3
120.04384	3.3
120.08102	2.8
121.05196	4.2
122.06023	47.3
127.03920	2.4
133.02815	4.2
134.05997	14.2
135.04416	6.5
136.07570	3.3
144.04430	5.6
152.07042	3.0
160.03954	3.2
160.06329	6.2
161.04539	3.1
173.04514	11.9
174.05563	11.7
180.06569	6.1
186.05501	2.8
188.07025	6.4
191.05544	31.2
201.10341	3.2
203.05789	5.1
203.11804	3.5
212.39380	2.3
213.10309	26.6
215.11871	3.4
223.08806	2.6
225.10269	3.2
226.11183	2.6
237.10321	5.0
238.11200	2.9
239.11864	30.9
241.13364	20.3
249.10277	5.6
251.08551	2.2
251.11797	5.9
263.08240	2.7
264.09015	10.9
265.09836	10.4
267.11395	4.8
276.08929	5.6
277.09778	7.5
279.08191	4.4
279.11365	20.3
280.12222	4.3
281.12854	4.5
283.10733	4.5
285.12473	71.8
286.12906	4.3
289.09866	2.7
289.78192	2.3
290.10690	3.0
291.07965	3.9
291.11383	11.9
292.08551	21.5
293.09253	15.0
293.12878	8.1
301.11963	6.2
306.10138	5.2
307.07452	4.8
307.10852	57.4
308.11581	21.3
309.12369	3.1
311.10303	6.6
323.10455	3.3
330.16190	3.0
333.09000	2.7
340.10559	8.3
343.13037	4.9
350.09116	12.7
351.06143	2.7
351.09949	44.6
352.10480	6.4
355.13666	2.9
356.13947	6.8
357.14795	2.6
365.11481	5.1
370.15744	15.2
372.17340	5.5
382.12048	3.6
383.12619	3.4
384.13190	4.2
397.14319	2.6
398.15280	15.6
399.15201	2.6
403.15262	3.5
412.16528	10.1
413.17279	8.5
414.18143	3.5
430.17664	13.9
431.18015	4.0
444.19360	4.4
445.16397	3.2
447.18219	3.0
448.18497	5.5
456.15860	4.5
457.16068	4.0
462.20126	7.3
474.16562	7.3
491.16608	5.5
492.17642	23.2
493.22968	3.6
506.19348	46.2
507.19321	4.5
511.23477	9.8
520.20941	3.4
523.23602	3.7
524.20270	6.7
527.20807	3.3
535.23456	19.1
536.23956	3.2
538.21906	68.4
539.22345	11.6
553.24634	61.1
554.25122	11.4
556.24005	3.6
579.22375	6.4
585.26892	10.0
597.23547	56.7
598.23914	8.5
611.24707	6.8
629.26147	100.0
630.26624	18.4
661.28741	31.1
661.38373	3.7
662.29248	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97031	1.3
53.82628	1.3
59.01255	12.2
60.99177	2.3
67.01758	9.5
69.03353	2.0
71.01256	6.5
71.58253	2.0
72.99202	1.6
81.03342	3.0
85.02820	12.7
87.00742	11.1
93.03333	60.7
96.95879	2.3
107.08540	1.7
108.02058	2.7
109.02859	4.4
111.04407	7.0
127.03934	2.4
134.03641	15.8
135.04417	23.1
136.01570	10.7
137.02353	22.3
144.73102	1.7
155.03397	5.8
161.02287	1.7
161.06123	1.4
171.02844	2.2
173.04474	55.1
174.04875	2.1
191.05547	100.0
192.05913	2.3
213.96370	1.3
233.06628	9.1
266.46045	1.6
291.19641	18.0
311.22495	1.5
312.22919	1.6
386.07346	1.7
425.23337	5.8
451.21289	3.0
453.82339	1.5
487.23416	20.6
488.23877	1.9
661.29004	28.3
662.29822	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48330	0.5
57.03306	0.6
59.01251	1.4
67.01767	2.6
69.03322	1.1
71.01256	1.7
71.49672	1.0
73.02845	0.6
80.59125	0.5
81.03336	0.9
83.04906	1.1
85.02822	9.7
87.00273	0.5
87.00749	3.2
93.03336	17.2
94.03701	0.6
105.03371	1.1
108.02010	0.5
109.02843	1.9
111.04402	3.8
113.78876	0.5
116.92728	0.6
121.02843	0.7
127.03912	2.6
132.02061	2.4
133.02856	12.8
134.03648	3.9
135.04420	39.4
136.04770	0.8
137.02350	4.3
150.03128	0.6
151.03897	1.4
153.05484	0.5
155.03397	1.8
159.04465	0.5
160.01590	1.6
161.01070	1.2
161.02357	16.7
162.02711	0.6
167.31375	0.5
171.02881	0.7
173.04480	23.7
173.05843	0.8
174.03139	1.9
174.04732	0.8
177.01845	3.6
178.02676	4.5
179.03424	9.9
191.05540	100.0
192.05946	2.5
200.04698	1.0
211.04079	0.6
215.05608	0.9
227.03427	0.9
243.13971	0.5
253.05193	1.0
269.11813	2.5
307.19321	0.7
308.09058	1.7
309.20715	5.2
351.07175	5.2
352.08005	2.2
353.08752	1.8
381.13425	0.8
382.14127	1.9
399.14557	2.5
400.15094	1.7
425.23376	5.8
426.23636	0.9
443.24435	9.8
444.24750	1.0
451.21170	1.1
469.12589	0.7
469.22336	15.0
470.22617	1.3
487.23285	4.4
488.24023	0.8
661.28778	9.1
662.29144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
60.99178	0.6
67.01766	1.2
69.87076	2.3
71.01254	1.6
73.02859	0.6
80.76988	0.4
81.03312	0.7
83.04937	0.6
85.02829	11.6
87.00752	3.1
93.03334	7.1
98.19878	0.9
99.04421	0.7
109.02818	1.5
111.04404	1.8
113.02280	0.6
125.09630	1.2
127.03888	2.7
134.03665	0.5
135.04422	2.7
146.03630	0.8
155.03381	0.6
159.04442	1.2
160.05188	0.7
161.02367	1.1
171.02852	0.7
171.10173	0.7
172.05215	1.6
173.04491	5.7
173.05881	1.0
174.03151	1.0
185.06012	1.3
186.06772	0.6
187.03951	1.7
187.09676	1.0
191.05545	100.0
192.05923	3.8
197.05992	3.0
199.03935	5.5
199.07652	0.6
200.04726	3.3
202.06342	2.7
203.06734	0.6
204.04108	0.7
209.06044	5.6
211.07686	1.0
213.05498	1.0
215.12817	1.5
222.06935	0.7
223.07562	1.8
225.05629	0.6
225.09166	1.7
227.07100	0.7
227.10666	2.6
235.07690	2.2
241.05009	0.8
241.10771	2.2
249.09206	1.4
250.09573	0.5
253.12276	3.9
254.12537	0.8
255.13979	0.5
263.10831	1.7
264.11423	0.6
265.12115	0.5
268.10941	1.1
269.11929	3.3
271.10754	0.5
271.13318	3.4
277.12418	2.3
297.11298	3.9
299.12900	0.8
337.14520	1.2
389.21301	2.6
397.23846	0.6
407.22247	15.8
408.22626	2.6
425.14218	0.7
425.23398	9.5
426.23764	1.3
443.24414	6.0
451.21243	33.3
452.21567	4.5
469.22336	20.8
470.22894	3.1
487.23395	1.3
661.28888	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18916	0.6
59.01261	2.0
59.60319	0.6
60.99161	1.4
64.26354	0.7
67.01759	5.4
67.32890	0.7
69.03325	1.9
71.01257	2.3
81.03333	1.2
81.17822	0.7
83.04876	0.8
85.02825	7.3
87.00749	6.5
91.47402	0.8
93.03334	37.4
94.03683	0.9
105.03389	1.0
107.04900	0.9
108.02064	1.7
109.02850	3.2
111.00746	0.8
111.04399	6.0
121.02892	1.4
124.01547	3.9
125.02351	1.6
126.03040	0.8
127.03893	2.1
133.02847	8.2
134.03680	5.8
135.04410	67.0
136.04689	1.9
137.02368	4.0
150.03117	2.0
151.03908	7.1
155.03502	1.4
160.01570	0.9
161.02361	6.8
163.03905	0.9
171.02934	0.8
173.04469	34.2
174.03159	1.2
174.04796	1.0
177.01842	3.8
178.02640	3.8
179.03436	15.9
180.04056	1.8
191.05536	100.0
192.05910	3.0
215.05583	3.1
253.05103	0.9
269.11826	2.5
307.08231	4.1
308.09024	9.5
309.09381	1.1
309.20782	1.7
351.07196	8.5
352.07892	9.4
353.08685	4.2
353.38504	0.7
425.23270	4.3
443.24368	6.6
444.24738	0.9
451.21262	3.1
469.22342	19.9
470.22510	2.5
487.23447	4.1
553.89911	0.9
661.28607	26.5
662.29077	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.01248	1.4
67.01772	1.2
69.61845	4.0
71.01245	1.8
73.02792	0.8
79.05164	0.5
85.02823	13.2
87.00755	3.1
93.03348	5.4
109.02843	0.8
111.04389	1.3
123.66903	0.5
127.03941	3.1
159.04398	2.3
161.02368	1.0
171.02924	1.4
172.05219	2.0
173.04463	1.8
174.03160	1.2
175.03934	0.7
183.04427	1.6
185.05981	1.0
187.03975	2.6
191.05550	100.0
192.05869	2.8
196.05153	0.6
199.03935	2.7
211.03929	1.4
212.04599	0.6
213.05525	1.1
215.12787	1.0
222.06934	0.9
227.03473	4.1
227.10744	3.6
228.04051	1.0
229.05046	0.7
229.08696	0.6
240.04135	1.5
241.10500	0.7
251.10762	0.7
253.05054	5.1
253.07533	0.7
253.08482	0.5
255.10278	0.6
265.12494	0.5
266.05887	1.7
274.45670	0.6
338.15189	1.1
339.83572	0.6
356.16354	0.8
381.13391	4.9
382.14130	6.7
383.14493	0.7
399.14468	12.8
400.15198	16.0
401.15561	1.9
407.22296	1.8
425.23254	4.1
426.23636	0.8
427.21594	0.6
443.24451	2.2
451.21240	2.4
469.22281	36.7
470.22720	5.0
510.38467	0.6
515.94769	0.6
603.11334	0.6
658.83759	0.6
661.28717	1.5
692.84753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12437	0.8
59.01229	1.9
60.99154	1.3
67.01770	5.8
69.03343	0.9
70.86917	1.0
70.87271	2.3
71.01241	3.9
81.03326	1.6
83.04907	1.2
85.02819	7.5
87.00746	7.6
93.03333	34.4
99.00763	1.1
107.04938	0.9
108.02056	1.9
109.02832	3.8
111.00735	0.8
111.04381	4.9
121.02859	2.0
121.88229	0.8
124.01538	4.5
125.02339	2.4
127.03911	2.4
133.02858	11.0
134.03607	7.0
135.04411	71.1
136.04712	2.0
137.02338	2.4
139.44647	1.0
150.03119	2.6
151.03918	6.4
152.04292	0.9
155.03413	1.6
160.01488	1.4
161.02367	5.6
173.04471	32.2
173.05978	2.1
174.04776	1.3
177.01862	2.8
178.02608	2.4
179.03397	18.6
180.04057	1.6
191.05537	100.0
192.05861	3.3
215.05493	2.4
269.11859	1.9
290.07782	1.1
307.08261	3.3
308.08966	11.0
309.09256	1.0
309.20718	2.0
351.07156	10.4
352.07910	9.8
353.08716	4.1
407.22440	1.2
425.23361	4.4
426.23749	1.1
439.49335	0.9
443.24301	4.5
451.21033	2.5
469.22296	18.6
470.22537	2.2
487.23395	3.0
493.04755	0.9
519.38257	0.9
602.41223	1.1
630.98822	0.9
661.28601	30.0
662.29083	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.5
59.01249	1.3
60.25626	0.3
60.99171	0.4
67.01762	2.3
69.03316	0.6
71.01254	1.2
81.03318	0.8
83.04900	0.7
85.02826	8.4
87.00752	2.4
93.03339	12.7
95.04911	0.3
99.04361	0.7
105.03348	1.0
108.02088	0.4
109.02872	1.9
111.04400	2.6
121.02853	0.6
124.01566	0.6
127.03899	2.4
132.02077	1.6
133.02870	10.5
134.03683	4.0
135.04420	25.8
136.04730	0.8
137.02344	2.4
139.03891	0.5
150.03139	0.5
151.03932	1.2
155.03416	1.4
158.41142	0.4
159.04390	0.4
160.01584	2.0
161.02356	17.0
162.02754	0.6
171.02937	0.6
173.04472	17.6
173.05817	0.6
174.03148	1.5
174.04745	0.6
175.03864	0.8
177.01895	2.9
178.02632	2.8
179.03426	7.7
180.03891	0.7
183.04414	0.4
187.03934	0.7
191.05542	100.0
192.05910	2.4
199.04007	0.5
200.04681	0.6
211.04050	0.5
213.05681	0.4
215.05591	1.0
227.03415	1.1
227.10732	0.6
253.05159	0.8
265.08423	0.4
269.11969	2.3
273.15042	0.4
307.08060	0.4
307.19202	0.4
308.08936	1.5
309.20731	4.2
310.21017	0.4
351.07159	4.4
352.07822	1.7
353.08746	1.6
381.13449	0.6
382.14200	2.1
399.14560	2.2
400.15244	2.0
407.22083	0.8
425.23334	6.2
426.23535	0.8
443.24384	8.2
444.24789	1.3
451.21268	1.7
452.21509	0.5
469.22308	18.3
470.22675	2.5
487.23315	2.3
575.18616	0.4
661.28687	10.5
662.28723	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78998	1.6
57.03316	2.8
59.01255	37.2
61.98700	1.9
71.01252	16.2
71.58665	2.0
73.02806	5.3
78.95774	3.2
82.87904	1.6
83.01267	3.5
83.04926	1.9
85.02831	9.0
85.97461	1.7
87.00758	2.7
89.02309	8.4
93.03343	11.4
94.02856	3.7
95.01225	1.8
96.95892	39.0
101.02325	8.2
106.06522	2.9
108.02102	2.0
108.04428	3.0
109.02847	5.4
111.04402	2.1
113.02328	7.4
119.03377	3.1
121.02826	1.8
122.05999	6.3
123.04458	2.3
124.03876	3.2
125.02303	2.7
133.02808	2.8
134.05997	2.7
135.04446	9.0
136.03957	4.4
136.07570	5.8
137.02328	4.1
138.05528	4.8
147.05510	2.5
150.05460	2.0
161.05984	2.2
163.03830	2.0
172.13200	1.7
173.04474	9.3
175.04982	2.4
177.01857	2.1
179.03418	2.5
181.84286	1.7
185.11909	2.2
190.05035	2.6
191.05539	19.3
201.10268	19.6
202.74770	2.0
204.06558	6.1
213.10266	7.6
214.12326	5.9
215.12538	2.2
227.11855	3.7
229.09834	23.3
229.13461	5.5
230.09940	2.2
239.11859	6.0
241.09779	7.4
242.10570	9.3
255.11363	5.5
257.12930	53.5
258.13242	3.9
273.12415	3.0
281.09351	2.0
283.10809	1.9
289.11948	5.0
299.09937	1.9
301.11942	61.9
302.12173	7.0
317.11377	3.2
319.12991	100.0
320.13434	9.8
341.11359	5.9
455.22745	5.9
513.21558	2.6
517.24048	2.3
525.21124	3.7
543.22601	14.3
544.22461	4.7
567.21918	2.4
585.23535	52.7
586.23840	8.3
588.22406	6.1
594.28162	1.9
609.56677	2.4
611.21619	2.2
619.33490	2.4
629.22784	14.8
630.22559	3.5
661.25055	17.4
661.36389	6.8
662.25793	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55594	1.7
59.01261	9.6
60.04995	1.6
63.37902	1.8
69.39256	5.1
69.39673	13.1
71.01258	4.6
73.02792	1.9
89.02292	2.0
108.04412	5.2
110.05970	5.4
122.02421	2.5
122.05982	7.2
123.03142	3.2
124.03926	8.0
136.03932	7.9
150.05479	7.0
168.06573	3.2
173.04466	2.5
191.05576	4.2
200.31894	1.8
249.10266	4.3
261.10199	4.6
262.10803	3.2
263.08389	3.2
275.08182	3.8
276.08936	5.9
277.09872	4.4
289.09879	5.4
290.10657	4.5
291.11346	3.9
319.13336	2.4
340.11032	4.5
341.11694	3.1
342.12418	4.9
343.13065	3.3
344.14297	2.3
354.08765	3.5
355.13290	2.6
356.10202	3.4
356.13998	7.2
359.12585	4.0
366.12216	3.2
368.10199	5.4
369.11154	5.6
370.11853	11.7
370.15762	4.3
372.13419	5.4
373.14197	2.4
382.12024	5.5
383.12796	4.5
384.13763	12.4
385.14383	4.6
386.15039	10.2
390.14566	12.5
391.15198	3.0
394.11841	5.2
398.10760	4.1
398.15677	14.4
399.11649	10.7
400.12805	7.8
400.16751	7.3
402.14923	3.9
403.15417	2.4
404.16147	4.7
409.14288	4.3
410.15158	4.4
412.12979	24.6
413.13342	5.7
414.14606	29.8
415.15131	7.2
416.16513	15.6
417.13107	5.8
418.17770	4.9
426.14417	4.6
427.15359	6.9
428.15756	3.0
430.14059	73.6
431.14542	12.9
444.15570	16.5
445.10315	4.2
445.16431	66.1
446.16898	12.2
447.14194	2.5
448.15027	12.9
449.15594	4.2
458.17206	2.7
459.14621	2.5
476.18463	14.3
477.14786	22.5
478.15436	2.1
489.15393	35.6
490.15506	5.6
509.17538	4.3
521.17786	4.5
555.22937	5.3
567.08911	2.2
567.22485	27.7
568.22681	5.7
585.23584	100.0
586.23853	20.2
587.24634	8.7
599.25110	20.9
600.25458	5.1
617.26129	96.8
618.26141	18.2
629.22552	59.8
630.22870	15.4
661.25171	88.1
661.35663	4.2
662.25391	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	24.7
68.27701	1.9
71.01253	13.3
71.58820	2.3
73.02820	6.0
78.95753	3.2
85.02832	6.2
86.82600	2.3
89.02325	3.9
93.03336	5.1
95.01261	2.5
96.95899	10.0
101.02318	8.0
108.04432	3.4
109.02847	2.7
111.04398	2.3
113.02352	4.1
119.03365	2.2
121.13306	1.8
122.06013	6.8
124.03907	7.4
124.07599	2.8
133.02858	2.3
135.04417	5.9
136.03944	8.8
137.02339	3.1
138.05478	2.6
150.05516	3.8
173.04465	6.2
177.01761	2.4
191.05557	14.1
209.11299	2.1
241.09595	2.9
275.08356	3.9
277.09622	2.2
290.10620	4.2
291.11182	3.3
300.61011	2.5
301.12054	2.9
370.11887	5.4
372.13449	3.3
384.13486	5.1
385.14511	4.7
386.15067	5.3
387.10983	2.5
390.14825	2.8
398.15228	4.6
400.16678	4.1
412.13004	3.7
413.21771	3.2
414.14368	5.7
416.16003	3.6
430.13852	14.2
431.14642	3.1
444.15912	3.4
445.16534	19.3
446.16910	4.4
450.16214	2.5
455.22958	8.1
477.15292	16.2
525.16943	4.4
539.19489	6.7
555.22943	3.1
567.22577	9.8
570.21234	4.4
585.23505	100.0
586.23810	17.8
599.24860	3.0
617.26172	83.1
618.26550	15.0
629.22491	67.4
630.23395	14.4
661.25171	84.8
661.35669	3.3
662.25421	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17935	1.2
58.91124	1.3
59.01245	4.8
65.03841	1.8
65.71590	1.2
67.01775	1.7
71.01257	2.5
85.02818	3.9
87.00742	1.9
88.30261	1.1
93.03354	7.7
94.04295	1.5
108.02077	10.9
109.02844	10.5
109.06461	2.9
111.04412	1.4
114.53989	1.1
121.02814	6.5
122.03604	8.4
133.02805	3.1
134.03639	1.5
135.04449	7.4
151.03951	1.7
157.02859	1.9
157.06485	1.6
159.04482	1.5
161.02304	2.5
171.10152	1.9
173.04483	10.0
173.05734	2.0
177.09113	23.8
179.03432	2.8
191.05525	30.2
196.05205	2.8
197.06023	4.0
199.03972	5.7
200.04689	2.4
201.05637	1.4
203.07034	3.1
205.08557	2.3
215.07100	3.1
221.08237	5.8
224.04707	2.3
225.05537	1.7
226.02663	15.4
227.03304	1.4
237.05479	1.9
240.04218	5.3
241.05025	60.8
242.05403	4.3
253.05127	2.3
255.06453	1.4
264.04242	2.8
265.05011	5.1
280.03717	2.2
281.04672	2.5
282.05554	1.4
293.04532	5.6
309.20688	2.6
320.03217	1.7
345.07635	4.5
346.05038	1.4
357.07547	4.7
360.06256	4.5
361.07196	2.0
373.07162	44.9
374.07367	6.1
393.11276	1.9
395.09286	6.9
409.10498	3.1
419.09067	2.8
419.14728	1.9
421.10638	2.9
437.10355	10.5
438.10535	1.6
439.11877	1.5
447.08582	5.4
448.09586	2.8
450.07379	5.2
455.11282	8.1
457.12872	9.2
464.09048	2.0
465.09790	100.0
466.10214	17.7
469.22534	2.3
483.10843	67.2
484.11508	7.8
533.15973	4.0
549.77002	1.4
595.09387	1.6
643.09467	2.7
643.19678	34.5
644.19873	7.8
661.19934	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07343	1.0
59.01246	8.2
62.35962	1.0
68.99689	1.3
69.29253	10.7
71.01255	7.5
72.99186	2.3
73.02801	2.3
75.00725	1.3
78.95783	1.2
81.03316	2.2
82.02850	1.4
83.01260	1.4
85.02817	4.6
87.00758	2.7
89.02316	2.8
91.01772	1.9
93.03348	5.9
95.01223	1.8
96.95877	3.2
97.02841	1.6
101.02316	5.7
107.01273	1.7
108.02051	71.8
109.02842	83.9
110.03150	2.4
111.00761	4.0
113.02309	3.3
113.99530	1.2
119.04891	1.3
121.02831	7.0
122.03598	4.3
123.00758	2.9
123.04417	10.2
124.01530	1.8
125.02315	2.2
131.66934	1.0
135.00731	4.0
135.04385	4.8
137.02322	2.4
142.79936	1.2
149.02269	7.4
150.03130	22.8
151.00258	3.8
151.03906	13.4
152.01057	73.3
153.01843	100.0
154.02129	5.0
156.00514	1.3
161.02280	1.6
161.04448	2.0
163.03877	3.1
164.04727	1.3
165.01833	7.3
165.05482	11.7
166.02538	2.3
167.03398	14.3
173.04428	5.5
174.01637	5.8
175.02269	1.3
179.03358	2.6
180.04095	1.6
181.01337	2.5
181.05003	5.5
191.05525	10.4
192.06091	1.4
195.02821	2.6
195.06520	2.3
225.07536	1.5
249.53696	1.3
283.63657	1.1
297.06134	4.3
311.07672	5.1
313.08176	3.7
315.07291	2.0
337.09610	1.4
421.11182	2.3
463.08786	2.1
464.09515	13.1
465.10385	10.3
479.11722	4.6
519.10693	2.0
613.15515	2.2
625.15289	1.9
629.15802	7.5
643.16901	6.2
661.17609	75.8
662.17999	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32685	0.2
59.01246	0.8
69.64544	1.7
71.01249	0.6
77.46410	0.2
79.95615	2.7
91.05376	0.3
93.03372	0.3
95.87076	0.2
96.95894	100.0
97.95815	0.4
98.19859	0.3
101.02307	0.4
109.02831	0.8
110.15269	0.2
114.93307	0.7
121.02802	0.3
135.04436	3.3
138.38513	0.2
173.04504	0.4
183.03127	0.2
191.05580	0.9
193.08662	0.4
301.11853	0.3
315.12405	1.3
353.07224	0.6
413.09348	0.4
431.42776	0.2
519.18689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
70.20950	1.4
70.21284	5.3
74.13462	1.1
78.95773	5.1
134.89377	1.3
152.99429	1.7
308.83606	1.5
449.55353	1.3
563.38519	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.93422	0.7
70.45406	2.8
71.35734	0.7
78.95785	3.6
120.20023	0.7
152.99539	2.2
157.52876	1.0
179.90204	0.8
196.30093	0.7
196.75017	0.9
218.91260	0.7
276.08636	1.1
279.23346	2.4
291.99344	0.8
374.09088	0.7
481.14197	0.9
659.34894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00953	0.6
59.01249	9.8
61.98698	1.4
67.01778	0.8
68.41509	0.5
71.01254	3.3
71.58607	0.8
73.02821	1.1
78.95770	0.5
83.04903	0.7
85.02813	7.1
87.00752	1.4
89.02312	1.0
93.03342	3.1
95.04887	0.6
96.95893	6.8
101.02318	1.8
109.02837	1.8
111.04417	0.7
113.02316	1.3
119.04907	0.6
121.02822	0.8
122.06012	1.8
123.04407	1.0
124.01525	0.7
127.03904	1.2
133.02792	0.6
134.05986	0.5
135.04422	2.2
136.08334	0.6
137.02333	2.2
139.03992	0.6
144.04472	1.2
148.05217	0.5
149.05951	0.5
152.07132	0.8
155.03378	0.5
161.02361	0.8
162.05531	0.6
165.09253	0.5
171.10161	1.0
173.04460	2.9
187.03934	0.5
187.07591	0.7
191.05545	39.3
192.05859	1.3
198.09163	2.5
199.03937	1.3
203.05838	2.1
209.11751	0.8
211.03848	1.0
211.13272	0.6
212.05847	0.8
213.10333	1.0
223.08855	0.7
226.07298	1.5
228.09053	2.6
229.08990	0.5
237.05513	0.9
239.11867	12.6
240.12199	0.9
241.09798	70.1
242.10133	4.9
243.11366	2.0
253.05147	0.5
255.11348	1.2
256.12161	43.0
257.12442	3.4
265.05151	1.1
266.05801	0.9
269.11835	1.9
285.12506	2.7
295.09781	5.6
300.11108	8.8
301.11566	0.6
315.13513	100.0
316.13751	9.3
323.13715	0.7
325.11819	0.7
343.13272	2.5
343.16748	0.5
350.07797	0.9
423.21866	2.1
441.22864	2.4
449.19897	3.1
467.20786	10.6
468.20984	1.6
509.21710	1.1
551.23102	2.2
552.23389	0.9
583.25867	3.1
584.27008	0.5
585.23688	1.8
592.27777	0.5
595.21869	0.7
599.40320	0.7
608.16541	0.6
615.37305	0.7
627.24860	2.5
659.26813	1.7
659.36743	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	19.2
71.01250	2.3
71.58773	1.4
73.02818	1.4
77.70535	1.0
84.79633	1.3
85.02824	2.8
87.00761	1.3
87.16427	1.1
89.02297	1.3
93.03326	1.4
96.95899	2.3
101.02325	1.9
101.47275	0.9
106.06520	2.1
109.02883	1.2
112.96459	1.0
113.02354	1.4
116.60540	1.0
118.13399	0.9
120.04397	1.0
120.08091	2.7
121.05243	3.2
122.06013	17.4
134.05992	5.0
134.17201	0.9
135.04407	3.3
160.06334	7.4
160.57350	0.9
172.56079	1.0
173.04532	2.8
183.13742	1.2
191.05566	12.2
201.10269	13.8
209.11751	1.2
213.10274	40.6
214.10432	2.4
223.08696	1.6
225.10336	3.8
225.92714	0.9
226.11047	2.1
227.12283	1.2
231.11317	2.3
239.11848	20.5
241.09827	1.4
241.13414	18.9
251.11803	1.3
253.09785	2.4
285.12451	100.0
286.12674	5.2
293.12927	2.1
307.10596	1.4
311.10275	3.4
341.11432	4.9
356.13937	1.1
369.14325	1.4
370.15509	1.8
398.15128	1.1
435.14746	1.1
441.22729	2.0
449.16068	3.0
451.17444	1.6
463.17975	2.5
464.18225	1.8
465.19376	4.7
467.20956	1.9
479.21030	6.7
480.21567	1.4
481.18488	1.2
491.20691	2.6
495.20261	1.3
500.34473	1.1
507.23914	3.0
509.21854	9.4
510.22452	2.8
521.22083	6.1
533.21936	10.4
534.22150	1.7
551.22980	58.8
552.23206	8.1
553.21167	1.3
554.21301	5.4
555.22107	1.4
577.20612	5.5
583.25513	2.4
595.21942	24.6
596.22345	4.7
597.23956	2.2
609.23395	6.5
627.24597	31.8
627.34698	2.0
628.24841	5.5
659.26257	2.0
659.37952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40294	1.4
54.20946	1.3
55.01750	1.8
57.03328	2.9
58.00468	1.9
59.01253	100.0
71.01257	50.3
71.58681	2.0
72.99190	2.6
73.02822	36.3
83.01254	13.2
85.02820	13.2
87.00755	4.0
89.02327	22.9
93.03347	5.3
95.01275	4.4
96.95906	4.3
97.02851	2.1
101.02332	38.9
108.02065	2.6
108.28883	1.6
109.02859	5.3
113.02332	22.0
115.88953	1.5
119.03374	9.7
122.03690	1.7
125.02323	4.3
131.03445	1.9
135.04433	6.4
137.02336	5.3
143.03421	4.3
149.02454	1.6
149.04471	2.2
152.01082	4.0
153.01846	2.4
157.90941	1.4
161.04443	10.9
165.09164	2.9
172.05222	1.5
173.04498	4.0
174.47881	1.5
175.03928	1.7
179.05582	4.4
187.14859	8.7
191.05551	15.6
219.02875	2.4
229.01587	2.1
231.13763	7.4
361.18863	2.1
367.21332	2.1
453.21317	55.9
454.21448	5.8
467.13235	3.1
497.35172	2.2
611.10547	1.8
617.32117	3.0
659.35754	4.4
660.35785	3.7
687.41595	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20442	0.7
59.01247	1.7
65.20890	0.7
67.01767	0.6
69.03307	0.9
71.01289	0.7
71.04872	0.7
71.57497	0.6
71.57877	1.0
71.58247	0.8
74.97798	0.7
77.38862	0.6
93.03338	2.6
96.95895	1.0
97.02809	1.2
97.06438	0.9
103.25833	0.7
111.04417	1.2
112.08832	0.7
113.09630	0.8
119.08587	0.6
121.10098	1.2
125.09619	3.4
135.04456	1.1
137.09636	0.8
139.11172	1.1
154.09837	1.2
155.10635	1.1
164.64751	0.8
171.10175	2.6
177.12822	1.1
185.11761	1.4
191.05521	3.5
193.08292	1.2
195.13882	1.7
207.10052	0.9
209.11717	0.9
211.13370	1.7
221.11398	0.8
233.11578	2.0
244.10747	1.6
245.19096	0.7
249.22305	1.9
258.12271	1.7
262.11877	7.5
291.19641	4.1
293.21216	38.5
294.21417	3.8
303.19138	1.1
305.21417	1.7
311.22275	60.2
312.22507	4.7
313.17953	3.7
315.19446	11.0
316.19501	1.1
323.22278	6.1
333.20471	100.0
334.20859	9.3
582.42975	0.9
648.48810	0.8
657.43732	6.6
658.43799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	2.8
60.62466	1.3
61.74113	1.5
62.65770	1.4
64.03310	1.7
64.47274	1.3
69.23168	1.3
69.64011	5.5
69.64441	5.1
70.22600	1.3
73.02829	1.7
78.95773	6.3
89.03315	1.5
103.65623	1.3
129.64754	1.4
152.99493	4.1
154.56685	1.5
161.34506	1.7
181.57014	1.4
186.64209	1.3
199.64793	1.4
279.23291	2.0
312.52402	1.5
441.19415	2.5
465.19565	2.1
469.22430	3.6
479.20831	1.8
496.17761	5.7
497.18726	1.7
507.20663	1.6
509.18433	4.4
512.16766	13.6
513.17480	2.9
528.16492	5.8
536.16791	4.2
551.19647	3.1
555.18964	9.8
556.18774	2.9
583.21527	1.6
585.19305	3.6
627.20514	6.8
659.23590	100.0
660.23834	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66995	0.8
57.03317	1.1
59.01250	12.3
67.01743	0.9
69.03313	0.7
71.01250	3.4
71.37848	0.7
71.38206	1.6
77.06384	0.7
80.50639	0.7
83.01311	0.8
85.02825	2.2
87.00705	1.0
89.02342	1.5
93.03342	3.9
95.04910	1.5
96.95873	1.7
99.04385	1.2
101.02322	2.2
108.04388	1.3
108.63451	0.7
109.02831	2.3
110.70580	0.8
111.04402	1.5
113.02316	1.9
116.09359	0.7
119.03336	1.0
120.04440	2.6
121.02884	1.0
121.05203	2.0
121.06415	0.9
121.28647	0.7
122.06010	7.5
123.04403	1.5
134.06009	2.5
135.04388	5.2
135.06786	1.4
136.05199	38.5
136.07570	12.2
137.02357	5.0
137.05685	1.3
137.07942	0.8
138.04279	0.7
139.03925	1.2
147.08089	1.3
148.04077	0.9
148.05200	8.8
149.05984	8.0
150.06834	3.6
150.07823	0.7
151.03906	0.8
152.07092	4.1
153.01772	1.2
161.04478	1.0
162.06778	2.4
163.07564	9.4
164.08331	5.5
165.01822	0.7
165.09114	17.3
171.11665	2.5
173.04471	1.2
179.07011	0.7
186.08969	0.8
190.05063	2.3
191.05533	4.1
195.06349	0.7
198.09196	1.7
199.10005	1.3
209.11748	2.2
211.13307	1.8
214.12317	11.8
215.12650	0.8
226.07458	1.2
227.08154	3.1
228.08786	1.1
229.09796	5.2
230.11870	4.6
241.09827	8.2
242.10570	17.2
243.05371	0.7
243.10861	1.0
257.12936	87.7
258.13239	7.7
260.19925	0.8
265.21960	0.8
283.23151	0.8
299.10422	1.5
301.11929	100.0
302.12244	9.2
326.35269	0.7
329.23343	7.5
331.24805	0.8
355.12991	6.8
356.13409	0.8
368.01608	0.8
434.30438	2.8
448.32260	0.9
449.32660	13.8
450.33188	1.8
476.31421	1.4
477.32394	3.6
493.30145	2.8
494.32352	2.3
495.33286	27.1
496.33694	2.4
563.23322	1.3
581.24445	1.7
657.38574	86.8
658.38953	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79145	0.8
59.01237	3.1
69.03308	2.1
71.01242	2.1
78.95771	1.3
83.04910	1.4
89.51067	0.8
93.03327	1.9
95.04912	0.8
96.95880	1.3
97.02826	11.0
98.20647	1.7
101.02296	1.4
109.02850	1.9
109.06519	1.4
109.79161	0.8
113.02314	0.9
119.92451	0.8
123.04393	1.6
123.08002	1.2
123.97398	0.9
131.83212	0.9
135.04431	6.9
137.02328	1.0
137.09589	2.0
151.11168	3.9
153.05447	0.9
153.09174	1.0
153.12740	1.4
163.13300	0.9
171.10184	2.5
177.12766	1.6
185.11789	1.1
191.05519	2.5
195.13824	2.0
203.14235	0.9
209.11714	1.0
211.13339	3.4
221.11734	3.3
237.14894	1.1
239.12857	2.3
240.13536	1.9
247.20729	6.7
273.18744	1.6
277.08212	1.2
278.09286	7.0
279.09265	3.6
291.19653	88.0
292.19943	6.7
295.08551	1.5
301.10852	2.4
309.20700	100.0
310.21072	8.2
325.10675	4.1
347.08783	2.7
347.15512	31.2
348.15866	2.8
445.96686	0.8
457.22485	1.3
473.21646	0.9
501.21671	1.9
570.28436	2.9
588.29858	7.8
639.36145	4.4
640.36102	1.5
657.27344	0.8
657.36981	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43703	0.7
55.90419	0.6
57.03316	1.1
59.01252	2.6
67.82539	0.6
69.03319	2.3
71.01250	0.8
71.57948	1.0
73.02840	0.9
74.88984	0.8
81.03300	0.7
83.04897	1.0
88.38909	0.7
93.03313	1.4
95.04946	0.8
119.08563	8.5
121.10081	0.8
123.08056	1.1
125.09624	4.5
127.11210	1.1
135.04359	1.7
135.08005	2.0
137.09622	14.8
139.11212	1.0
151.11220	0.8
155.10693	1.7
167.10620	1.1
169.12199	0.7
171.10188	41.8
172.10497	1.8
173.04497	0.8
183.10208	1.9
185.11798	9.1
191.05562	1.5
193.08327	1.3
194.22876	0.8
201.11278	2.8
207.09988	5.3
209.11786	2.0
211.13208	1.7
213.11270	3.0
223.07321	3.7
225.04366	0.8
227.06010	0.9
229.19469	1.4
245.19125	1.4
271.13297	0.8
273.18558	4.9
288.77972	0.7
291.19672	15.0
292.19968	2.1
309.20712	100.0
309.82794	0.7
310.21054	8.3
313.17862	3.1
329.14474	1.2
329.17749	1.1
331.92542	0.7
347.15656	1.2
381.15884	2.7
395.17480	1.1
501.25366	7.3
502.25592	1.5
515.27014	2.3
603.33331	1.0
621.34656	10.2
622.34955	1.5
625.26025	0.8
639.35004	4.0
657.38971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.7
68.50438	0.7
69.63310	4.3
69.63712	1.4
69.84005	0.8
71.01250	9.1
75.39988	0.8
78.95744	1.3
93.03339	1.2
96.95867	1.0
97.06487	1.1
101.05943	0.9
123.08032	1.0
124.74302	0.7
125.09588	2.9
128.11850	0.8
135.04425	1.4
135.08035	0.9
136.98889	0.9
139.07431	0.8
141.09117	4.1
143.10704	1.1
153.88400	0.8
171.10184	2.9
183.13841	0.9
191.05519	1.6
197.05872	0.9
199.09659	2.4
200.10509	1.4
201.11269	2.9
209.05800	14.8
209.11618	0.9
218.69661	1.0
221.05855	1.1
222.08640	2.1
223.09381	1.0
225.05350	5.5
227.06079	1.7
237.05357	4.9
238.06082	54.1
239.06857	49.0
240.07188	2.3
243.05872	1.0
247.20625	1.7
253.08348	1.3
257.07050	4.2
267.01721	1.0
269.07010	1.1
270.05078	6.9
271.05002	3.5
277.07385	1.1
283.05594	0.9
285.06454	0.9
291.19614	3.0
297.10291	1.2
309.06876	2.0
309.20706	34.5
310.07147	5.2
310.20984	2.2
311.08200	1.9
317.15015	1.5
319.16739	1.6
324.08963	1.0
329.15271	3.4
331.18716	3.8
333.10083	3.9
337.09567	1.3
338.10486	1.1
347.16266	100.0
348.16580	9.9
351.11151	1.4
353.16635	1.2
362.13907	1.3
365.16412	1.5
373.13257	1.1
377.12817	1.0
393.16196	1.8
401.16528	2.3
411.16995	3.4
419.17480	1.6
433.18988	1.8
438.15570	1.4
439.16266	4.0
440.17102	2.0
443.17389	1.3
461.18500	5.0
479.19559	11.6
530.25616	3.6
547.25824	5.3
547.66199	0.8
548.26642	87.7
549.26953	13.1
639.35748	1.7
657.36853	27.5
658.36902	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00991	1.1
59.01255	10.6
65.00484	0.7
67.01754	0.8
71.01244	3.4
72.99114	0.6
75.05787	0.8
78.12802	0.7
78.73731	0.8
85.02802	1.1
85.42385	0.7
87.00728	0.9
89.02318	2.8
90.86005	0.8
93.03355	1.6
96.95855	1.0
99.04351	1.1
101.02312	1.9
108.04443	0.8
109.02837	1.5
113.02327	1.7
120.04457	2.8
121.05224	1.9
121.06464	1.1
122.03596	1.4
122.06013	6.5
123.04385	1.5
125.02334	0.9
127.11087	0.7
134.05998	3.2
135.04430	4.9
135.06790	1.5
136.05206	27.2
136.07565	11.2
137.02333	2.3
139.03860	1.6
147.08032	1.1
148.05229	10.5
149.06020	6.6
150.06758	2.9
152.07062	3.0
155.10728	0.8
161.04614	0.9
162.05583	0.8
162.06761	2.2
163.07568	10.4
164.08365	3.9
165.09135	12.8
171.11700	1.6
173.04529	1.2
176.99969	0.8
190.05017	3.5
191.05527	2.3
198.09158	1.6
199.09978	2.0
209.11819	1.9
211.13358	2.1
214.12334	12.7
216.98354	0.9
226.07433	1.3
227.08308	3.1
228.08919	1.1
229.09807	4.7
230.11865	3.4
241.09793	8.7
242.10550	15.6
243.05501	0.8
243.10892	1.4
256.12271	1.0
257.10074	1.8
257.12943	92.3
258.13290	7.3
301.11938	100.0
302.12296	7.4
329.23209	5.8
331.24850	1.4
355.12817	6.6
365.13983	1.5
434.30353	3.2
449.32767	11.4
466.16718	0.8
477.32138	2.4
493.29919	4.1
494.32587	2.4
495.33276	23.7
496.33517	1.5
580.01624	0.9
581.24347	0.9
613.35767	1.0
657.38605	73.6
658.39001	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96757	1.2
56.45161	1.1
57.14073	1.3
57.54424	1.1
59.01251	100.0
63.74112	1.4
69.24970	1.4
69.25195	2.6
69.25610	12.6
71.01255	2.7
85.02816	2.5
87.00765	1.7
89.02315	1.7
93.03346	1.9
96.95887	3.4
101.02351	2.4
103.88784	1.5
109.02833	1.7
121.02879	1.7
127.32827	1.5
135.04384	4.1
137.02312	3.9
138.95366	1.4
150.59576	1.5
151.03923	2.0
153.01849	1.6
159.04405	1.4
161.02338	5.3
162.02692	1.3
165.01831	29.0
166.02158	1.6
173.04375	2.1
176.04739	3.2
179.03426	22.2
180.04192	24.8
181.04671	1.9
187.55200	1.4
191.05511	9.8
191.07037	2.1
194.05783	10.7
195.06546	42.7
209.04640	2.1
209.08147	25.3
210.05255	4.9
225.07635	78.0
226.07965	4.8
230.46149	1.6
357.09641	2.4
372.12100	4.6
387.14465	35.1
388.14789	3.7
435.16660	15.0
444.78348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.9
62.64621	0.6
63.79408	0.6
65.03831	0.8
67.01763	1.0
67.57434	0.6
69.46548	4.9
69.46883	1.2
69.55518	0.5
71.01248	3.1
73.02824	1.2
76.40809	0.5
81.03308	0.9
83.01245	0.5
85.02831	2.6
93.03320	1.0
95.01260	1.2
98.20526	1.1
101.02312	1.4
107.34797	0.5
108.02052	80.6
109.02853	31.4
110.03157	1.0
113.02301	1.6
121.02818	1.2
123.00749	1.4
123.04389	0.8
135.00781	2.0
141.97681	0.7
145.74228	0.6
151.03886	2.8
152.01060	80.5
153.01849	39.5
154.02171	1.0
163.03889	2.2
165.01830	2.7
246.24696	0.6
313.68881	0.5
315.07224	100.0
316.07574	5.5
341.10715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.2
59.00951	3.4
59.01254	71.4
63.42479	2.0
65.03838	11.2
67.01760	18.6
71.01246	20.2
74.03678	2.3
79.56099	2.3
83.01275	3.6
83.04907	5.2
85.02829	8.8
87.00733	3.6
89.02322	9.7
91.01766	11.5
91.05414	10.3
93.03351	10.3
95.01281	3.9
96.95889	11.2
97.02827	2.7
98.20675	4.6
101.02317	13.3
108.02045	3.1
109.02843	71.2
110.03172	2.5
113.02351	9.6
117.55927	2.4
119.03324	3.0
120.04428	5.1
121.02848	8.6
121.11402	2.2
122.06026	3.3
123.04394	13.6
125.02362	3.5
125.09649	2.8
125.30766	2.1
133.06500	3.7
135.00781	10.1
135.04422	100.0
135.08058	26.0
136.05180	4.6
137.02344	27.1
137.05966	3.7
138.02602	2.3
139.03905	5.1
143.04907	2.6
147.04425	2.7
148.05132	3.4
150.05621	2.6
152.01054	3.1
153.01845	65.6
153.05460	19.4
153.09108	3.7
159.04401	5.3
161.02374	8.0
161.04420	3.4
163.00256	15.2
165.01848	9.4
165.05508	2.9
171.10201	8.0
173.04515	5.1
173.05882	2.8
175.03926	6.5
175.07535	5.6
177.05457	13.5
179.03471	5.1
183.13831	4.0
185.05911	3.5
187.03912	6.6
188.04677	2.7
189.05563	3.7
191.05527	26.8
195.06628	2.6
197.04478	5.1
203.07033	4.3
205.15985	2.6
209.11761	61.7
210.12151	11.1
211.03999	8.4
211.13361	44.7
213.01790	3.2
213.05507	5.2
213.10277	3.2
215.03398	4.0
215.07027	2.7
225.05511	9.1
227.07088	28.6
227.12914	6.3
229.05022	6.8
231.06593	5.4
233.15445	4.2
241.05014	4.0
247.06108	8.3
249.14995	6.8
253.09250	8.4
255.06511	4.9
257.04504	18.5
257.08185	10.0
267.06506	3.1
275.05554	37.0
281.04654	5.3
283.06097	21.8
285.12369	8.6
289.08890	2.8
299.01892	4.8
323.09360	2.9
347.09439	12.2
349.10886	18.3
367.11884	4.4
375.08725	24.0
392.37653	2.6
393.09763	52.9
394.10037	6.2
403.24960	4.8
421.25830	7.8
435.34906	12.7
461.12326	4.6
461.31393	4.2
465.18851	3.3
467.11395	3.3
485.12354	18.9
486.13269	3.8
503.13477	70.9
504.13913	10.2
505.10736	3.7
529.14838	9.4
547.16144	28.4
548.16571	5.0
563.22784	3.9
579.38904	12.2
581.23962	8.2
597.40247	17.6
607.22546	3.6
615.41406	3.3
621.18268	3.0
625.22748	10.4
639.18695	6.5
639.41797	5.4
657.19434	26.3
657.35492	38.9
657.42456	9.8
658.19995	6.3
658.35608	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3699
Annotation	Russelioside A
Peak:m/z	Relative Intensity
52.85031	0.8
57.03325	1.8
59.01243	4.0
69.88705	4.1
71.01254	1.5
73.02807	1.0
78.95777	1.0
83.04895	0.7
85.02814	1.7
93.03344	1.3
96.95912	1.6
98.19873	1.1
101.02304	1.1
103.38954	0.7
108.05031	0.8
109.02834	2.0
111.04376	0.7
121.06466	2.2
122.03635	1.4
129.33595	0.8
135.04417	4.1
136.05193	44.7
137.02318	2.2
137.05856	1.0
149.05983	7.9
150.06802	3.6
151.07526	1.0
153.01819	0.8
157.08531	0.9
157.94441	0.9
162.06772	3.2
163.07509	1.8
164.08351	7.3
165.09109	21.5
174.76524	0.8
209.11729	1.3
263.20062	0.9
281.21262	1.7
327.21780	8.8
390.04077	0.7
429.29959	2.1
432.28732	3.1
446.30283	0.9
447.31137	20.1
448.31516	2.5
474.29599	1.0
475.30627	4.2
492.31027	2.8
493.31668	30.4
494.32104	4.0
535.32666	0.9
540.84821	0.7
561.58087	0.9
655.36981	100.0
656.37317	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42290	0.9
55.01765	0.9
59.01252	27.0
61.98705	1.3
67.01768	1.3
71.01262	6.0
73.02808	2.2
83.01266	1.9
85.02826	3.7
89.02327	1.9
91.05394	0.7
93.03320	1.7
95.78681	1.0
96.95852	1.4
98.19710	1.7
101.02306	3.6
102.75284	0.9
107.08543	1.1
109.02834	2.9
109.06531	1.0
113.02338	1.9
121.02852	6.6
122.03575	0.8
123.04407	11.1
130.06281	0.8
133.06464	1.0
135.00830	1.1
135.04396	9.9
136.05211	10.3
137.02338	1.5
149.05986	2.1
150.06833	2.0
151.03941	1.0
151.07547	12.7
153.01860	1.5
153.05470	1.2
159.04324	1.2
168.04192	1.5
171.10168	1.0
173.04553	1.0
174.03168	0.9
175.03754	0.8
183.34308	1.0
191.05505	3.4
207.10228	1.6
209.11768	18.0
211.04028	1.2
211.13286	2.9
213.14923	0.9
227.03465	0.9
227.12802	1.3
245.04454	1.5
253.09023	1.3
273.04208	3.9
290.07620	1.1
296.06763	0.9
309.20862	1.0
363.08694	2.3
391.08188	4.8
433.33206	24.5
434.33609	3.3
451.34290	5.9
452.34756	1.0
493.35184	2.5
501.11990	6.3
502.12134	1.5
514.35962	0.9
595.38477	15.1
596.38885	1.9
596.77063	1.1
613.39465	19.1
614.39856	3.0
655.18219	3.2
655.40637	100.0
656.41003	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32490	3.0
59.01253	100.0
61.98682	3.4
69.89349	2.9
71.01250	7.3
76.06375	3.1
78.95792	5.4
80.36988	4.0
87.90124	3.3
97.02840	8.4
98.19792	11.7
103.91930	3.5
109.86723	4.2
135.04427	3.9
138.51225	3.4
141.01628	71.1
152.99493	4.8
174.67862	3.2
175.42081	3.2
233.32988	3.4
243.59714	3.5
260.10443	3.6
275.06204	14.1
277.21719	4.3
278.14587	3.3
280.30420	2.9
329.17239	4.9
381.68274	3.4
391.19809	6.2
411.68552	3.3
535.27600	10.6
595.28900	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73849	3.0
59.01253	100.0
59.11744	2.4
61.98703	2.9
69.03326	3.9
71.01268	4.4
71.57891	4.3
78.95788	7.2
79.26112	2.6
89.02304	4.6
94.06126	2.6
97.02837	9.4
97.06493	4.3
101.02325	4.0
131.14005	2.9
135.04478	5.9
141.01617	69.8
142.05035	3.4
171.10178	3.2
183.93945	2.8
239.46431	2.8
245.22072	2.6
255.23259	6.2
275.06216	7.0
334.63596	3.0
349.92438	3.5
379.46271	3.3
391.19958	3.8
535.27576	11.0
536.27490	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56439	0.8
57.03308	1.0
59.01254	15.4
65.03831	3.9
67.01752	4.9
67.98319	0.9
69.48965	3.5
69.49403	3.4
71.01255	7.0
72.99162	0.9
73.02814	1.1
78.95789	2.0
79.05389	2.3
79.95609	2.8
81.03320	1.9
83.01269	1.5
83.04947	0.8
84.74683	0.8
85.02823	3.8
87.00752	1.1
89.02311	2.4
91.01760	2.8
91.05407	2.7
93.03364	4.1
95.01272	2.0
95.67258	0.8
96.95895	100.0
97.02805	0.9
97.06490	1.2
101.02320	3.7
105.03322	1.1
107.04907	1.5
108.02050	2.4
109.02841	29.6
109.03604	1.5
113.02322	2.6
114.93250	1.3
119.03409	1.6
119.04926	5.7
119.98430	0.8
121.02863	4.9
122.03622	1.1
123.04414	32.5
125.02367	1.0
125.05971	1.2
125.09610	1.8
131.04869	0.9
133.02867	2.9
135.00780	6.0
135.04436	17.8
135.08029	6.7
137.02350	25.3
138.02751	0.7
147.04401	1.9
148.01553	1.4
148.05203	1.6
149.02347	2.2
149.05977	1.0
151.02695	1.0
151.03909	17.0
152.01038	1.1
153.01860	25.2
153.05505	2.1
157.06526	1.2
159.04443	2.3
161.02357	3.3
161.04610	1.0
161.05969	1.5
163.00287	6.7
163.03867	1.1
163.07602	1.5
165.01830	3.8
165.05545	1.6
167.03413	1.0
171.10268	2.0
173.04445	1.5
173.05911	1.4
175.03934	2.2
175.07555	3.2
177.01862	1.9
177.05482	1.9
185.06015	1.5
187.03943	3.4
187.07542	1.1
187.14885	1.1
189.05530	1.3
189.09131	4.6
191.03903	0.9
191.05554	5.9
193.04962	2.1
195.02972	1.9
201.05420	1.3
207.10197	3.1
209.11778	15.8
211.03958	4.3
211.07501	0.9
211.13335	2.9
213.05492	1.9
214.02615	1.0
215.03452	2.0
219.06709	0.9
225.05536	4.5
225.11435	0.9
227.07082	12.5
227.12668	1.1
229.05002	3.9
231.06657	1.4
231.13943	2.1
239.03554	1.2
239.07129	0.9
247.06004	0.9
247.13533	1.3
249.14851	1.0
253.04871	1.4
255.06473	2.3
257.04547	5.9
257.08035	4.2
259.01340	1.3
269.08325	1.2
273.03983	7.8
275.05597	10.0
281.04648	1.8
283.06006	7.4
309.14926	2.6
319.09525	1.0
321.07626	1.3
329.08093	1.0
331.06155	1.4
347.09244	7.2
349.10654	6.0
367.11743	1.8
375.08676	6.2
376.09344	1.2
379.11780	1.5
383.21805	1.4
391.08194	4.0
393.09781	15.1
401.23370	2.2
407.11771	2.9
419.24033	1.1
459.29642	1.3
485.12415	6.6
501.11874	10.0
502.11975	1.1
503.13541	24.3
504.13690	3.1
527.13440	2.0
545.14465	9.5
613.39532	1.3
615.65601	1.0
637.17035	3.5
637.32428	10.2
654.36450	1.0
655.18054	13.7
655.33655	4.8
656.18860	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.182
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63315	1.2
65.03830	4.5
67.01767	13.1
69.48717	8.8
69.49128	2.9
83.27837	1.3
84.98601	1.6
86.43841	1.2
89.52976	1.3
91.01751	3.9
91.05400	8.5
93.03332	4.7
107.37369	1.4
109.02142	2.1
109.02841	33.6
121.02812	2.2
123.04395	4.3
131.04924	1.8
133.02835	1.9
135.00798	10.2
135.04416	70.7
136.04704	2.7
137.02345	100.0
138.02698	2.7
143.04912	1.6
145.02852	3.0
153.01834	5.7
153.05476	16.6
157.06485	3.8
159.04385	7.5
161.02412	2.3
163.00285	4.6
170.42616	1.5
172.53102	1.3
175.03957	1.8
175.07594	4.7
176.02428	1.4
177.05531	8.5
179.03392	3.5
183.04399	1.8
185.05977	3.7
187.03906	7.6
192.92897	1.4
195.06482	1.7
197.04471	2.0
201.05553	3.2
202.58012	1.3
203.03438	1.2
211.03940	14.0
219.60637	1.4
225.05492	7.3
227.03526	1.8
227.07129	17.9
229.05025	9.7
237.05597	2.4
241.05069	1.5
253.05003	2.8
269.08249	3.4
273.04059	33.5
274.04160	1.6
278.48328	1.4
279.06540	1.6
281.04587	3.3
287.07022	1.7
295.06061	2.0
301.08667	2.7
303.10291	5.0
317.08096	4.5
319.09750	3.4
329.08218	1.5
331.06128	4.3
332.06873	1.8
335.09335	2.1
345.07599	4.3
347.09296	27.5
348.09744	1.8
363.08490	2.4
368.98465	1.4
373.06973	1.6
391.08228	46.0
392.08755	8.6
413.13956	3.8
439.11694	2.1
457.12933	6.2
458.13187	1.6
483.10944	5.2
499.13928	4.1
501.11896	90.6
502.12378	17.3
545.14697	5.0
637.16553	6.5
655.18250	25.5
656.18390	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28268	1.3
57.03316	1.5
59.01253	24.7
59.06887	1.4
65.03842	1.8
67.01760	12.8
69.03348	2.2
69.35847	2.6
69.36259	9.7
71.01256	12.1
72.99196	2.1
73.02832	3.5
73.59098	1.1
75.46017	1.3
78.95777	1.2
81.03371	1.4
83.01269	3.4
85.02831	8.8
87.00764	2.8
89.02311	6.5
91.05409	6.8
93.03333	21.1
95.01255	1.9
96.95874	3.3
98.20526	1.9
99.00806	1.8
99.04395	11.3
101.02336	8.7
108.02055	4.3
109.02837	14.6
111.00768	1.8
111.04362	1.9
113.02343	4.4
119.03417	1.9
119.04957	1.8
121.02871	3.0
122.03642	2.9
123.04419	8.6
130.04062	1.8
133.02867	4.3
133.06482	1.8
134.03654	2.2
135.04417	100.0
136.04770	2.5
136.75859	1.1
137.02365	17.2
143.03476	1.3
145.06497	2.0
147.04387	2.1
147.70396	1.2
149.02345	2.1
149.05998	2.3
150.03175	1.8
150.06726	1.9
151.03935	3.4
152.01094	2.6
153.01823	3.0
153.05519	16.6
157.02916	2.0
158.03647	1.5
159.04382	1.6
161.02390	11.1
161.04524	2.8
161.06035	5.2
163.03865	2.5
165.05492	3.4
173.04469	9.9
173.06004	8.1
174.01662	3.0
175.03955	1.6
177.01878	3.2
177.05490	31.7
178.05844	2.3
179.03403	7.9
181.04887	1.8
187.03957	1.9
189.05463	2.1
191.05542	18.7
191.07117	2.9
195.06543	7.7
196.05223	2.0
197.04443	3.6
197.05991	2.8
198.03078	1.7
199.03905	4.9
209.11792	15.3
213.87218	1.5
215.07080	3.1
217.05006	10.0
219.06560	1.9
223.07573	1.5
225.05545	1.9
235.03723	2.2
235.06075	40.1
241.05011	28.1
242.05513	2.4
249.05638	2.3
251.07195	3.7
253.05048	40.2
254.05600	2.5
263.09235	2.9
265.04999	3.5
267.06671	5.1
271.02698	1.9
278.05838	1.6
279.06610	27.0
280.03857	15.0
280.06857	2.3
281.04544	30.1
293.04617	12.0
294.05084	2.2
295.06104	55.2
296.06512	4.0
305.04660	4.0
305.08243	5.5
315.07159	3.7
322.04855	9.9
323.05576	47.3
324.05908	3.9
330.05319	3.4
331.06085	16.6
347.09253	6.3
373.07159	19.8
373.12756	5.5
374.07248	2.0
375.23886	4.7
395.11279	2.3
399.08893	2.1
423.08929	2.2
433.12656	2.1
441.09775	3.4
449.10901	1.4
457.13190	2.6
457.28156	4.3
458.10233	1.4
459.10889	12.3
465.09879	4.8
475.29147	8.7
477.11899	85.7
478.12314	13.7
483.10770	41.2
484.11389	6.8
493.13281	1.5
493.31787	1.9
501.12247	7.4
509.12323	3.6
511.05505	1.6
527.13446	3.0
619.15875	3.6
637.16602	3.0
637.25647	1.8
655.18939	2.4
655.36316	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03326	1.3
58.00468	1.7
59.01251	42.3
60.01584	0.4
67.01782	0.3
68.99688	0.6
69.03329	2.1
70.39557	0.4
70.39954	0.3
71.01254	36.1
72.01582	0.3
72.99180	3.1
73.02818	6.7
75.00756	0.8
78.95766	0.3
81.03342	1.7
83.01264	4.8
83.04902	0.2
85.02827	8.5
85.99974	0.4
87.00753	9.2
87.04401	0.4
89.02318	32.0
90.02659	0.2
91.03876	0.6
93.03320	0.5
95.01262	2.8
95.04921	0.3
97.02832	6.6
99.00764	2.5
99.04407	0.6
101.02323	29.5
102.02654	0.5
103.00230	0.3
103.03899	0.4
107.03405	0.2
109.02819	0.7
111.00758	0.7
111.04391	1.0
112.01536	0.4
113.02330	15.0
114.02677	0.4
115.03878	0.8
119.03388	10.2
120.03783	0.2
121.02842	0.6
121.39496	0.2
123.00766	0.4
123.04386	0.4
124.01546	0.4
125.02338	13.2
126.02686	0.3
127.03906	0.5
129.01860	0.3
131.03386	1.7
133.04953	1.1
137.02309	0.6
139.00253	0.2
139.03937	0.9
141.01814	0.6
142.02577	0.3
143.03398	6.0
149.04451	1.0
152.99498	0.2
155.03400	0.2
157.05005	0.3
160.55341	0.2
161.04460	6.9
163.03946	0.2
167.03406	0.7
169.04973	0.4
171.02913	0.2
179.05531	7.1
180.05835	0.2
181.05026	0.4
185.04475	0.6
199.06035	0.6
203.05603	0.6
217.07104	1.2
219.05011	0.4
221.06601	2.7
235.08191	14.3
236.08499	0.5
237.22270	0.3
245.06609	0.8
253.09280	3.2
255.23267	100.0
256.23615	7.2
263.07697	1.4
269.24789	0.8
274.72800	0.2
277.09277	1.2
287.07755	3.3
288.08185	0.3
305.08752	3.3
306.09055	0.3
323.09778	1.8
361.11325	0.4
379.12326	1.2
397.13486	73.1
398.13828	6.5
415.14557	28.5
416.14938	2.7
540.21777	0.2
571.28961	0.4
653.36908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12152	1.4
59.01247	4.8
61.98689	1.7
65.03832	4.4
67.01766	2.7
71.01254	2.6
71.58053	1.9
77.03828	2.9
91.01817	2.1
93.03326	7.3
96.52463	1.5
97.02821	1.7
101.02322	3.6
109.02830	30.5
116.92775	1.8
121.02843	100.0
122.03153	3.2
123.04526	1.7
130.30307	1.6
135.00793	5.4
135.04413	13.8
137.02341	68.5
138.02710	1.8
147.04456	1.4
151.03899	2.1
153.01831	2.9
153.05421	1.5
159.04436	6.8
161.02342	1.9
163.00308	2.2
163.04013	3.3
173.04507	1.8
175.07558	2.4
185.05994	2.7
187.03934	4.6
191.05536	2.5
193.08548	1.9
193.92339	1.3
207.10201	5.5
209.11719	2.6
211.03960	8.1
211.13342	10.4
213.34833	1.5
225.05528	11.1
225.11211	3.2
227.07080	9.3
227.12971	1.3
229.05008	6.8
237.05701	2.0
241.04823	1.5
253.04874	2.0
269.08276	3.2
273.04056	9.5
277.08551	1.9
279.06616	2.1
287.07068	2.3
291.10434	1.7
301.08679	4.8
303.10208	6.6
311.83954	1.4
314.05557	1.5
315.12439	2.1
317.08395	2.1
319.09750	3.8
331.05969	3.3
345.07721	6.6
347.09253	28.5
348.09579	3.0
363.08716	3.3
391.08197	38.1
392.08783	6.9
401.22806	1.6
413.13840	3.1
457.12503	2.2
491.11411	1.9
501.11908	99.1
502.12238	12.6
623.15485	22.7
624.15979	4.6
655.24695	4.0
655.33557	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.2
71.01254	4.0
71.04530	0.8
72.99175	0.8
73.02816	1.6
75.00729	1.2
83.01283	0.9
85.02827	1.9
87.00764	1.6
89.02322	2.2
91.01774	11.3
93.03329	2.2
95.01268	1.4
96.95857	1.6
101.02295	2.7
108.02048	15.8
109.02862	6.9
113.02316	2.2
116.92780	3.9
121.02809	1.7
123.00783	5.1
135.00784	12.1
135.04395	2.0
137.02341	4.5
152.01060	15.2
153.01820	5.6
161.02393	1.1
163.03911	1.0
167.03448	0.9
173.04391	1.9
179.01636	0.7
179.03392	2.1
191.05560	5.7
197.06102	1.2
215.07191	1.0
243.06596	100.0
244.06932	8.0
271.02457	1.5
279.05231	1.4
290.85907	0.8
297.06088	1.7
299.01917	2.8
320.08646	0.9
339.07114	1.2
364.70062	0.9
405.11914	31.0
405.24695	1.6
406.12280	3.5
447.12967	1.2
593.31000	0.9
653.32941	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17251	1.0
59.01253	3.1
70.24716	3.5
78.95777	48.6
88.81119	1.0
89.02316	1.1
96.95930	1.1
96.96834	12.3
121.02865	1.5
128.32713	1.2
135.04497	1.3
152.99492	43.7
173.04480	1.5
191.05505	1.5
223.00027	2.0
223.13657	1.1
241.01146	27.8
255.23282	64.0
256.23651	4.0
280.99216	1.4
315.04910	8.2
337.01810	1.2
355.03043	3.7
391.22513	4.6
397.13318	1.1
429.19852	1.1
571.28876	100.0
572.29297	11.1
576.55286	1.1
593.25562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14537	0.3
54.99659	0.3
55.01748	1.5
57.03320	1.2
58.00471	2.1
59.01254	49.7
60.01596	0.7
66.65411	0.3
66.86076	0.3
69.03333	2.4
71.01257	38.7
72.01588	0.6
72.99184	2.8
73.02818	7.0
73.03188	0.5
75.00758	1.0
78.95776	1.2
81.03332	1.6
83.01255	4.1
83.04901	0.4
85.02828	9.2
87.00230	0.6
87.00751	9.2
87.01275	0.6
89.02320	33.1
90.02656	0.4
91.03887	0.7
93.03316	0.4
95.01257	2.9
96.07651	0.3
97.02837	7.1
97.03468	0.4
98.20632	0.8
99.00750	2.0
99.04414	1.0
101.02329	30.9
102.02636	0.3
103.00224	0.4
103.03989	0.3
109.02826	0.8
111.00788	0.5
111.04397	1.3
113.02338	15.8
114.02665	0.3
114.07928	0.3
115.03940	0.7
119.03388	11.0
120.03744	0.4
121.02825	1.0
124.01492	0.4
125.02338	14.6
126.02622	0.4
127.03896	0.5
127.24500	0.3
131.03410	2.0
133.04991	1.2
137.02315	0.3
139.03925	1.4
139.86958	0.3
141.01816	0.7
143.03407	6.9
149.02409	0.6
149.04478	1.0
152.99489	0.7
161.04480	7.7
167.03413	0.6
169.04964	0.5
171.02841	0.3
179.05533	7.2
185.04416	0.9
199.06082	0.8
203.05524	0.6
217.07167	1.3
218.49213	0.3
219.04997	0.4
221.06567	2.7
223.13451	0.3
230.91667	0.3
235.08211	15.0
236.08617	0.6
237.22261	0.5
241.01155	0.4
245.06693	1.1
245.89882	0.3
253.09308	3.7
255.23277	100.0
256.23624	8.2
263.07736	1.7
269.24838	0.6
277.09283	0.8
287.07755	3.3
305.08734	4.0
323.09900	1.8
361.11530	0.4
379.12259	1.0
397.13510	75.1
398.13852	6.5
415.14578	30.8
416.14758	2.7
438.44708	0.3
571.28827	1.7
572.28693	0.5
579.26196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
57.52286	1.1
59.01250	22.2
67.01765	2.9
69.03278	1.3
71.01254	11.5
71.58156	1.9
73.02822	3.3
75.00717	1.4
79.05401	5.6
81.03316	1.3
83.01270	1.8
84.56792	1.4
85.02823	5.5
89.02310	6.6
91.05436	1.4
93.03326	3.8
95.01256	1.6
96.95888	1.5
97.02869	1.8
99.04359	1.2
101.02310	7.4
105.03346	5.7
107.04906	3.8
108.02045	5.9
109.02840	16.0
112.58234	1.2
113.02345	4.2
117.03352	1.2
119.03372	2.8
121.02829	7.0
121.06498	3.3
122.03614	3.5
123.04412	92.4
124.04700	2.7
125.02316	1.6
133.02840	3.5
133.06522	1.6
135.04416	14.7
137.02367	6.8
137.05940	1.3
147.04446	3.1
149.02351	8.5
149.05997	4.1
150.03104	4.3
151.03915	54.8
152.01027	7.1
152.04288	2.4
153.01843	4.1
157.02870	1.3
161.02397	7.0
161.05997	10.6
162.03017	1.4
163.03900	6.1
165.05481	21.9
167.03432	3.7
171.04411	1.5
173.04541	2.2
173.05981	2.5
174.03185	1.2
175.03949	2.6
177.01826	5.4
177.05476	13.6
178.06076	1.2
179.03389	4.0
187.03923	1.3
189.05508	1.8
189.20197	1.2
191.04050	1.4
191.05579	7.6
192.28702	1.2
193.04956	26.1
195.02927	6.0
195.21564	1.1
196.05339	1.7
197.05960	2.6
198.03101	1.7
199.03932	6.5
201.11098	1.3
205.05017	7.3
209.06015	2.0
211.04027	1.8
211.16991	2.5
215.07042	1.5
219.06572	1.7
224.04715	1.5
225.05479	4.5
227.07030	1.8
233.04501	52.4
234.04784	2.4
234.90387	1.4
237.05635	1.9
240.04202	1.4
241.05013	29.2
242.05478	3.1
249.05504	2.3
251.07066	2.9
253.05035	45.7
253.07680	2.2
254.05347	3.1
261.07672	4.1
265.05109	3.1
267.06677	5.8
277.04935	1.5
278.06107	1.2
279.06607	29.9
280.03873	17.3
280.06931	3.8
281.04538	27.2
282.04892	1.8
293.04562	16.7
294.04803	1.2
295.06104	60.9
296.06393	6.1
305.04782	2.8
305.08249	3.7
312.44122	1.2
321.04077	1.4
322.04745	16.2
323.05582	62.5
324.05829	6.0
330.05237	3.4
331.06088	13.7
347.09094	6.0
371.11395	11.5
372.11636	1.5
373.07205	19.5
374.07172	2.5
381.09885	1.7
393.09723	2.5
399.08829	2.7
423.08600	1.8
431.26852	1.8
439.11838	1.6
447.23630	1.6
449.27457	2.7
456.08585	1.7
457.08832	13.7
465.09619	2.6
474.09503	2.1
475.10318	100.0
476.10529	13.3
483.10846	41.2
484.11279	6.5
491.29623	1.6
501.11761	7.3
507.10614	2.5
617.14758	3.0
618.14929	1.6
635.15564	4.4
653.16370	1.7
653.32971	34.4
654.32977	4.7
660.64362	1.5
678.38379	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03828	6.6
69.92845	9.0
79.05400	4.6
79.54494	1.6
91.01778	4.3
91.05444	1.8
93.03345	6.6
107.04922	2.1
109.02844	36.8
121.02866	4.8
123.04410	71.9
131.04939	2.8
135.00804	8.5
135.04442	6.3
136.95119	1.6
137.02348	100.0
138.02643	2.4
139.55203	2.0
147.04414	1.9
149.02394	3.9
151.03918	35.5
151.59067	2.0
152.31398	1.6
153.01825	3.4
155.69907	1.8
157.06491	2.6
158.03709	2.6
159.04434	8.4
161.02361	6.2
163.00320	3.2
165.05463	5.2
175.07599	4.0
177.01830	2.0
185.05994	3.6
187.04015	9.2
195.02887	2.9
197.05925	1.9
201.05586	3.6
211.03918	14.3
213.01828	1.7
224.04808	1.6
225.05513	9.2
227.07076	19.1
227.39967	1.7
229.05035	9.0
237.05621	2.1
251.07214	2.3
253.04956	3.7
269.08109	4.7
273.04065	29.0
274.04221	2.1
277.08841	2.1
281.04413	3.6
281.40851	1.7
293.08081	2.1
295.06238	2.6
301.08752	3.8
303.10266	8.2
317.08234	4.2
319.09692	4.1
325.03516	2.1
325.62137	1.6
329.08286	3.6
331.06165	2.9
345.07715	5.9
347.09155	29.1
348.09552	4.8
363.08835	4.6
391.08267	56.2
391.13120	3.8
392.08575	7.2
413.14059	6.0
457.12891	5.8
483.10757	6.7
501.11935	88.3
502.12259	14.8
543.13483	2.6
616.63190	2.0
635.15778	9.5
653.16742	25.0
654.16705	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55869	1.3
57.03311	2.3
59.01250	10.5
62.54414	1.1
69.03331	1.3
69.49348	11.1
78.95767	1.7
94.97021	1.3
98.67082	1.2
107.04967	1.5
121.06453	2.9
123.04401	4.0
123.08050	7.4
137.09636	1.7
139.11201	3.9
141.01570	2.1
149.05989	1.4
149.09546	2.0
151.11174	3.1
152.08380	1.5
155.14317	1.6
171.10184	2.9
199.13336	16.6
200.98865	1.3
201.11284	2.0
245.19025	9.4
247.16901	2.1
264.59821	1.4
271.17075	3.0
286.98666	1.3
289.18097	72.3
290.18546	6.9
291.20013	1.4
307.19147	100.0
308.19424	9.6
314.37177	1.3
325.20294	1.7
327.85782	1.6
595.18225	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	55.7
59.01247	9.1
62.72677	3.5
71.01266	7.1
72.99188	3.3
75.00751	20.0
85.02816	4.6
89.02336	5.6
93.03342	5.8
101.02278	5.7
102.01852	100.0
103.02173	3.5
109.38018	3.0
137.36281	3.5
191.05550	13.7
191.38368	3.6
255.02994	9.3
256.03226	7.6
283.02408	10.3
284.02829	11.0
285.03888	7.3
286.04431	10.1
447.08820	6.7
549.25958	4.4
652.15826	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
55.51062	0.4
57.03314	1.4
58.00473	2.1
59.01252	45.1
59.94051	0.4
60.01585	0.7
69.03326	2.2
70.18694	1.0
70.19088	1.2
71.01254	32.9
72.01565	0.5
72.99188	2.5
73.02822	5.6
75.00746	1.0
81.03328	1.2
83.01262	3.0
83.04904	0.9
85.02328	0.9
85.02814	7.5
87.00755	7.1
89.02319	33.9
93.03359	0.7
95.01263	2.0
97.02834	5.9
99.00771	1.9
101.02327	26.7
103.00167	0.4
109.02806	0.5
111.00694	0.4
111.04417	1.2
113.02335	13.3
114.94376	0.5
119.03384	9.4
121.02819	0.5
125.02341	8.3
125.09608	0.5
131.03419	1.5
133.04991	0.7
137.02325	0.8
141.01833	0.5
143.03395	5.1
149.04422	1.0
161.04430	4.5
167.03377	0.8
171.10175	1.2
179.05530	10.3
185.04491	0.7
191.39238	0.4
191.98183	0.4
201.11258	1.3
217.07126	0.9
221.06606	3.2
225.52516	0.4
235.08189	7.9
245.06700	0.7
246.82405	0.4
253.09233	2.6
253.21710	31.9
254.22044	2.0
263.07751	1.8
277.09277	0.4
287.07840	1.4
305.08914	2.1
305.11984	0.4
305.17584	1.0
309.20703	2.0
323.09888	0.9
332.95575	0.4
341.19147	0.5
379.12262	0.5
397.13489	35.4
398.13977	2.8
415.14566	100.0
416.14828	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12859	0.4
54.64699	0.4
55.01755	1.2
57.03313	1.5
58.00462	1.6
59.01250	33.1
68.85185	0.4
68.99689	0.4
69.03328	2.0
71.01253	31.0
71.04881	0.5
72.01591	0.4
72.99181	2.7
73.02821	5.2
75.00754	1.2
78.95758	0.4
81.03323	2.1
83.01260	3.8
83.92715	0.4
85.02820	7.3
87.00749	7.9
89.02316	29.8
93.06969	1.2
95.01256	2.4
96.69353	0.4
97.02832	6.4
98.18007	0.4
98.19726	0.6
99.00745	3.0
101.02326	27.9
102.02663	0.6
103.00251	0.6
109.02819	1.0
111.00750	0.8
111.04398	1.5
113.02328	13.6
114.02670	0.4
115.03876	0.7
119.03387	11.4
121.02883	0.8
122.59386	0.4
123.04373	0.8
125.02339	11.1
125.09607	1.0
127.03973	0.4
131.03406	1.4
133.04910	1.0
134.24498	0.5
135.04332	0.4
136.47993	0.4
137.06062	0.4
137.09639	0.6
139.03870	1.0
143.03401	6.2
149.04417	0.5
155.10728	0.4
161.04472	6.6
167.03418	1.1
169.04956	0.4
171.02846	0.6
171.10144	3.7
171.13014	0.4
171.15472	0.4
173.04475	0.5
179.05534	6.4
185.04395	0.6
191.05482	1.1
199.06105	0.8
201.11270	2.7
203.11815	0.4
213.11264	0.4
217.07170	1.3
219.05009	0.6
221.06520	2.6
221.64767	0.4
235.08200	11.9
236.08453	0.5
238.47746	0.4
253.09314	3.3
253.21701	100.0
254.22018	7.4
258.85104	0.5
263.07779	1.5
267.23291	0.7
277.09326	1.1
287.07681	3.6
287.16449	0.7
289.18137	0.5
291.19684	1.1
305.08713	3.4
305.17584	3.8
307.19101	0.7
308.19431	0.5
309.20682	1.1
321.17160	0.8
322.17407	0.7
323.09839	1.5
323.17975	0.6
327.21509	0.9
341.19757	0.9
342.19681	0.5
343.21078	1.0
379.12332	0.6
397.13483	69.7
398.13852	4.8
415.14560	31.0
416.14844	2.4
555.71936	0.5
651.41656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37991	1.1
55.01752	1.6
57.03313	3.9
58.00460	3.0
59.01254	36.4
59.60410	1.1
62.94282	1.1
63.76981	1.1
67.38947	1.2
69.03318	4.4
71.01256	41.4
71.04877	1.3
72.99176	3.5
73.02824	9.9
75.00720	1.1
79.51189	1.1
81.03336	3.2
83.01250	3.8
83.04900	3.4
84.02038	2.0
85.02827	21.0
87.00742	4.6
89.02315	18.7
93.03333	4.7
95.01250	4.9
95.04881	2.1
96.95895	2.8
97.02829	4.9
97.06477	2.4
97.31276	1.3
99.00766	4.3
99.04404	10.5
101.02327	17.3
107.04929	1.5
108.02041	2.2
109.02828	4.2
109.06473	1.6
110.03620	2.5
111.00713	1.6
111.04385	4.4
113.02330	22.6
118.98013	1.7
119.03362	5.2
119.04913	3.5
121.02795	1.4
121.10107	4.2
123.00691	1.7
123.04385	1.5
124.01514	1.7
125.02350	11.6
125.09564	1.3
127.11131	1.9
133.02779	1.4
135.04427	6.1
137.02322	3.1
137.09572	1.9
142.02583	1.7
143.03363	1.5
150.03114	1.6
153.01846	2.0
155.10628	2.6
161.02339	1.5
161.04448	5.1
163.03960	1.8
165.05409	1.5
171.10185	40.7
172.10429	2.2
173.04460	3.7
177.01857	3.9
179.05496	2.3
179.10739	5.7
179.14249	1.2
183.13792	2.4
185.11728	2.1
189.09070	1.4
191.05554	9.3
197.11824	5.9
201.11121	2.7
209.11734	2.9
211.13318	17.5
221.11792	3.2
227.07143	1.2
229.14413	17.5
235.13321	3.7
239.12750	1.3
253.14420	4.1
285.03860	1.6
291.19653	5.0
309.20782	3.0
327.21753	95.1
328.22150	9.2
363.21954	1.7
369.22632	4.4
399.23691	6.6
429.25055	8.6
471.25809	13.0
476.62897	1.2
489.27023	16.3
489.33914	1.8
490.27213	2.2
651.32227	100.0
652.32507	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1566
Annotation	Kaempferol 3-(6''-acetylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.41783	0.3
59.00992	0.3
59.01236	2.0
63.02274	0.4
65.00225	0.8
69.49789	1.3
69.50218	1.3
71.00886	0.3
71.01256	1.4
73.02817	0.6
73.53574	0.3
83.01270	0.8
85.02828	1.0
87.00759	0.7
89.02310	0.6
93.03331	2.1
95.01263	0.3
96.95876	0.9
101.02286	0.5
107.01293	1.1
108.02099	0.3
109.02798	0.6
113.02318	0.6
117.03364	1.3
121.02856	0.7
133.02856	0.3
135.00755	0.6
135.04379	0.7
143.04970	0.4
151.00238	2.3
152.01054	0.3
153.01855	0.6
155.04936	0.4
159.04398	0.8
161.02319	0.5
164.07112	0.4
165.01895	0.4
167.04974	0.4
169.01404	0.5
169.06500	0.5
171.04483	0.5
173.02341	0.5
173.04439	1.1
173.05827	0.4
176.00984	0.4
179.03442	0.4
182.03529	0.3
182.16357	0.3
183.04459	4.0
185.02382	0.7
185.06056	0.7
187.03981	0.8
191.05527	5.5
199.03865	0.5
204.47458	0.4
206.08186	1.0
211.03906	3.3
213.05521	0.9
215.03516	0.4
227.03444	6.7
231.87700	0.3
239.03421	0.8
241.04997	0.8
243.02956	0.6
255.02974	50.7
256.03381	3.7
267.02731	0.5
267.06519	0.4
269.04593	1.0
281.04541	0.9
283.02478	100.0
284.03055	13.3
285.04041	78.8
286.04422	5.3
297.03961	1.3
299.05527	0.4
309.03934	0.5
327.05087	3.8
351.05048	0.6
428.08267	1.0
428.58621	0.4
446.08539	19.9
447.09268	13.5
448.09604	1.6
459.03281	0.4
489.10385	27.4
490.10641	2.7
531.11438	2.0
635.16248	0.4
651.15662	34.4
652.16003	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06099	0.3
59.01239	1.1
63.02269	0.6
65.00203	0.9
68.73339	0.3
69.27716	0.9
69.28142	2.9
71.01292	0.4
73.02840	0.4
107.01271	1.0
108.02065	1.6
121.02847	0.4
135.00758	0.8
148.01569	1.4
151.00287	3.7
153.02017	0.4
163.00293	1.1
164.01050	0.4
167.84708	0.4
169.01274	0.5
178.99763	3.6
187.04013	0.4
199.03951	0.7
201.01874	0.4
211.03912	0.5
215.03442	0.8
216.04269	0.6
216.88127	0.4
226.02727	1.8
227.03477	2.9
243.02983	10.7
244.03473	1.0
253.88101	0.4
254.02191	2.1
255.02972	27.1
256.03363	2.1
271.02478	59.2
272.02875	4.6
284.03366	0.6
285.04193	0.5
299.01904	2.0
300.02750	100.0
301.03268	11.6
402.03522	0.4
487.09464	0.4
591.13348	0.8
609.14294	2.0
651.15649	41.9
652.15985	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	17.2
71.01244	10.7
71.04925	4.7
80.33598	2.6
83.18408	3.2
85.02828	6.5
89.02317	7.9
91.05366	3.4
92.52415	3.1
93.03342	5.8
93.89892	2.9
98.20593	5.5
107.04902	3.6
108.02049	15.2
109.02827	71.8
110.41080	3.0
115.00276	9.1
121.02857	31.9
121.06480	4.2
123.04394	10.1
123.08076	5.1
125.09559	3.8
133.02876	20.0
134.03615	7.8
135.04414	100.0
137.02371	9.4
137.09689	4.2
139.11156	3.0
145.02811	3.5
146.03691	7.1
147.04366	15.6
148.05200	7.6
149.02347	52.2
149.05974	38.5
152.15358	3.3
159.04399	5.8
161.02348	34.4
161.05997	32.6
163.03961	9.3
171.10193	23.8
175.03969	19.8
175.07590	7.0
178.02621	5.0
179.03404	37.4
179.04814	4.0
179.05598	3.8
184.69551	3.2
187.03938	25.9
191.03448	8.2
191.05528	13.9
193.04951	4.9
199.03983	3.3
199.13324	11.3
201.11229	8.9
209.11874	6.6
211.13451	7.6
213.11327	3.6
221.11681	3.1
225.05737	3.5
227.06992	3.5
229.14394	4.2
241.05011	13.6
242.05824	39.7
243.06537	13.2
253.08604	14.2
254.09427	11.4
255.06454	16.1
267.06522	4.7
269.08145	13.6
271.09760	50.1
275.28543	3.3
291.19659	5.4
297.07758	34.7
305.17459	8.1
307.09674	5.4
307.18991	9.1
309.20807	24.8
315.08774	14.0
323.45920	3.9
325.20255	4.6
327.21756	33.9
341.07098	3.7
341.10901	7.9
343.21329	17.1
356.29480	3.4
359.08969	18.5
407.20636	4.9
453.23007	12.0
469.13406	4.2
471.23941	22.4
477.58881	3.5
479.24280	4.5
485.25491	17.9
534.04071	3.6
607.28839	29.8
608.29785	7.8
619.16107	5.2
651.29224	5.7
651.40613	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1565
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
56.55474	0.6
59.01254	5.1
63.01983	0.8
63.02246	3.6
65.00203	1.2
69.64491	0.7
71.01243	2.8
71.35142	1.3
75.00732	0.8
83.01255	3.1
85.02843	1.5
87.00732	0.9
89.02320	2.8
93.03332	2.0
95.01272	0.7
96.95886	1.8
101.02309	1.7
107.01295	5.1
108.02060	0.9
113.02373	0.7
117.03374	1.2
121.02817	0.9
132.02020	0.8
133.02895	0.7
135.00755	0.7
145.02885	0.8
151.00282	10.7
154.42311	0.7
159.04407	0.8
161.02377	1.3
163.00244	1.7
164.01115	1.0
168.22038	0.7
169.01340	4.2
173.04404	1.0
183.04398	3.8
185.02359	0.7
187.04015	1.0
191.05504	3.4
199.04018	0.8
203.87596	0.8
204.78575	0.6
204.80687	0.7
211.03955	4.3
213.05455	1.0
215.03490	0.8
227.03392	8.9
228.03781	1.0
229.04999	2.7
239.03722	1.0
240.04288	0.9
240.10603	0.6
241.04985	1.3
255.02974	69.9
256.03348	5.4
257.04568	4.6
268.03540	0.8
283.02472	100.0
284.03195	37.3
285.04031	62.5
286.04376	4.6
298.04825	0.7
307.08456	0.7
327.05032	1.6
411.05170	0.8
446.08493	6.6
447.09317	17.4
447.15512	1.0
448.09488	1.5
448.79865	0.8
452.68384	0.7
455.99207	0.6
489.10339	19.4
490.10693	2.9
512.43781	0.7
651.15674	74.7
652.15973	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21105	0.7
59.01244	5.9
63.02306	1.1
65.00200	1.3
71.01267	5.4
71.58184	0.7
71.58618	1.2
73.02832	1.3
74.02367	3.4
75.00754	1.4
83.01276	1.1
85.02843	2.5
87.00795	1.3
88.93365	0.7
89.02342	3.3
93.03353	3.0
96.95911	1.4
99.92476	1.1
101.02348	2.3
107.01299	1.3
108.02081	1.7
109.02837	1.5
113.02364	1.6
116.03423	4.6
116.92744	8.1
117.01821	0.8
117.03322	1.2
119.03428	1.3
121.02909	0.9
123.04476	1.0
135.00853	0.7
135.04399	3.7
135.18539	0.8
137.02287	1.2
143.04994	1.1
151.00264	3.5
152.01068	0.9
153.01845	1.3
159.04408	1.4
167.04941	1.3
169.01340	0.8
169.06488	1.5
171.04375	0.9
173.04536	2.6
177.01874	3.4
179.03534	0.9
179.05530	1.0
182.03578	0.8
183.04500	3.8
187.04005	1.2
191.05505	6.9
199.04015	1.0
206.08205	1.4
211.03981	3.3
213.05602	1.5
227.03459	8.3
239.03287	1.0
241.04880	1.3
255.02979	57.6
255.06549	1.9
256.03351	5.5
257.04327	1.3
264.06821	0.8
266.05817	1.1
267.06622	3.2
268.03882	1.0
269.04587	1.6
271.02475	1.7
283.02487	100.0
284.03076	15.6
285.04059	82.0
285.07513	2.9
285.10577	0.9
286.04483	6.5
300.02676	1.9
309.04028	1.5
327.05087	4.0
446.08530	6.0
447.09265	29.7
448.09601	2.7
470.07376	1.0
488.09665	14.0
489.10257	25.5
490.10727	3.3
531.11176	1.0
591.14600	0.8
651.15540	30.5
652.16071	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.5
62.61128	1.2
65.03830	3.1
67.01740	2.6
68.13322	1.2
69.03331	2.1
70.93774	2.6
70.94119	2.4
71.01242	7.3
73.02827	2.2
83.01260	1.8
85.02824	2.2
87.00738	1.8
89.02320	4.1
91.01755	2.1
93.03341	11.8
94.45873	1.2
95.01299	1.6
96.95896	2.3
101.02336	2.9
108.02061	3.4
109.02837	14.5
113.02355	3.1
114.93308	4.5
119.04921	2.0
121.02825	3.8
122.03606	2.1
123.00787	3.6
123.04433	8.9
125.02364	3.0
133.02843	1.7
133.04918	1.8
135.00755	4.6
135.04454	8.6
137.02341	100.0
138.02666	3.0
145.02983	1.5
147.04468	2.4
149.02310	2.8
151.00269	11.7
151.03909	6.2
153.01839	5.7
159.04495	1.7
161.02321	2.3
163.03857	3.4
171.10249	1.6
173.04520	1.8
175.03949	1.7
177.01810	2.0
179.03276	1.6
191.04022	1.4
191.05473	9.6
225.05417	2.2
227.03580	3.5
245.04539	2.2
300.02646	1.7
313.08508	2.2
317.08191	8.0
319.09860	2.4
333.07657	3.3
335.09393	1.5
345.07190	1.6
361.07120	5.7
361.10855	5.8
365.11627	1.7
427.12042	3.4
437.10220	4.5
455.11252	3.8
469.12900	7.4
481.08420	1.7
485.12271	1.8
495.11023	2.2
499.10306	5.7
500.10123	1.4
513.11975	24.3
514.12274	3.7
552.06439	1.7
579.16406	3.6
589.14929	4.5
590.15503	1.7
607.16144	8.0
623.15393	2.5
651.14990	13.8
651.29730	4.6
651.40283	2.0
652.15216	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	4.3
61.98708	1.1
71.01261	7.5
71.57873	1.0
71.58255	1.4
85.02815	1.7
91.05948	1.5
93.03304	1.6
108.02045	12.4
109.02850	26.5
115.00261	9.4
119.04919	2.3
121.02831	4.5
122.03633	4.2
123.04387	5.2
124.01514	3.1
133.02863	7.5
135.04411	7.8
144.89366	1.2
146.03619	4.0
147.04413	9.6
148.05225	9.5
149.05956	8.5
151.00400	1.4
161.05998	13.8
163.07518	1.7
177.05449	2.1
179.03394	2.6
191.03450	2.1
191.05450	2.8
213.05537	2.8
241.05081	6.0
242.05821	44.0
243.06505	6.8
254.05640	1.8
255.06609	3.2
267.06641	2.4
268.07355	13.1
269.08221	20.9
270.08957	6.4
271.09772	100.0
272.10172	8.5
284.06915	1.5
289.17987	1.5
294.06055	1.3
314.07968	9.0
315.08569	6.4
323.09015	1.9
325.10825	3.6
327.89630	1.3
380.15970	1.3
554.70123	1.4
561.28473	2.8
631.21014	1.4
649.26709	16.0
649.37561	2.0
650.27411	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.8
57.97228	0.8
59.01241	2.4
70.92311	2.9
80.02586	1.2
81.03342	1.3
83.04916	1.3
84.02043	3.2
84.26321	0.8
97.02830	1.0
97.06469	9.3
99.04417	1.2
107.04908	1.1
110.03670	0.9
121.06493	2.6
123.04405	4.6
123.08053	8.2
125.09612	1.7
137.05980	1.2
137.09612	2.4
139.11201	3.8
142.02654	2.2
149.09630	0.9
151.11185	2.9
155.14317	1.1
165.12703	1.2
171.10190	13.3
177.12714	1.6
193.12260	10.7
194.80428	0.9
199.13330	20.1
201.11169	2.4
209.11749	1.0
211.13339	3.5
221.11769	1.5
225.14896	12.6
233.15506	1.0
243.15974	6.4
245.19086	6.9
247.17009	1.8
253.14435	1.7
253.72441	0.9
271.16895	1.6
289.14783	1.3
289.18106	62.1
290.18500	5.5
307.19153	100.0
308.19510	8.5
341.23328	90.3
342.23657	8.5
380.97156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97132	0.8
59.01251	3.1
69.45881	0.9
70.92056	2.2
71.01260	2.8
78.95777	10.1
79.02149	0.7
79.95621	1.5
85.02837	1.1
87.00723	1.2
89.02328	2.6
96.95895	80.9
96.96818	14.1
97.95846	1.5
98.02358	100.0
98.95474	6.3
98.96297	1.6
99.00780	1.5
99.01891	3.5
99.02599	1.7
99.04407	2.2
101.02338	2.3
107.56367	0.9
112.53004	0.9
113.02348	1.4
119.03403	0.7
139.09259	0.9
160.03796	0.9
162.05612	0.9
173.04491	1.0
179.05489	1.5
191.05588	4.0
250.92885	0.8
254.67723	0.7
291.16150	0.8
354.56296	0.9
549.25549	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29862	2.3
54.49023	1.9
57.71433	2.0
61.98704	100.0
70.25672	9.8
98.20473	2.8
100.28815	2.1
159.20950	2.3
190.00432	2.1
226.37416	2.1
269.38852	2.2
286.16278	2.3
431.44852	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.5
65.03837	2.2
67.01762	1.0
71.01264	6.2
71.57717	1.2
71.58082	1.0
73.02811	1.9
73.08230	0.7
73.97821	0.8
75.00748	3.2
80.33868	0.8
83.01228	1.3
85.02826	2.5
87.00758	2.3
89.02306	3.9
91.05419	12.6
93.03329	3.5
95.01302	0.9
96.00772	1.0
96.95885	11.5
101.02334	3.7
107.04893	2.6
108.02070	0.8
109.02835	12.8
109.06442	0.7
109.85504	0.7
111.00756	0.9
113.02339	1.6
115.00274	0.9
116.92748	0.9
119.03435	1.1
120.05573	0.7
121.01961	1.7
121.02844	35.8
122.03654	1.2
133.11456	0.7
134.03622	9.2
135.04416	100.0
136.04747	3.6
137.02362	1.5
147.04419	15.5
148.05232	5.2
148.29320	0.9
151.00276	1.1
152.01097	1.0
153.01862	0.9
155.96667	0.7
159.11760	1.3
166.02660	0.7
173.04521	1.8
175.02412	1.5
177.09129	11.3
189.09146	30.6
190.09482	1.8
191.05508	5.8
201.11095	0.8
203.10710	81.6
204.11075	5.4
215.10732	7.7
232.10213	0.8
237.06114	3.1
244.61488	0.8
255.10966	0.9
325.14438	64.1
326.14786	5.8
340.90582	0.8
414.03836	0.8
425.17926	1.2
451.33893	0.8
487.19748	79.1
488.20132	8.4
649.24542	10.6
649.35303	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53890	1.7
59.01240	4.7
65.03825	2.4
70.62877	6.8
77.20291	2.1
78.95785	5.0
80.19969	1.9
91.05428	3.1
108.02042	6.7
109.02837	17.9
109.06465	3.0
121.02839	7.0
122.03618	5.1
123.04376	5.8
123.08063	3.0
125.09659	3.3
126.38522	1.7
133.02800	2.1
134.03622	7.2
135.04422	25.4
135.08057	3.1
136.05165	2.4
137.05983	3.6
147.04401	18.3
148.01491	3.1
149.05998	5.5
152.99446	2.8
153.09099	2.0
159.04431	7.4
161.02420	3.3
161.05948	5.5
162.03125	6.6
163.07443	1.9
171.10161	2.7
173.05968	3.2
174.03081	4.9
174.06757	2.3
175.03917	26.0
176.04646	5.7
177.09154	1.9
187.03949	3.2
187.07590	3.6
188.04712	3.2
189.05498	28.8
189.09068	3.9
191.10748	3.2
199.15904	1.8
201.05455	4.2
213.05470	3.8
217.12297	26.3
221.11946	2.3
231.13800	2.4
243.13702	1.8
245.11766	3.6
245.15416	3.1
261.14923	5.2
263.12891	11.4
273.14941	8.2
275.16254	2.8
277.14575	3.1
282.12421	4.6
285.14871	2.3
289.14432	9.4
289.17853	4.3
290.11636	2.4
291.15985	6.0
291.19257	2.9
300.13565	2.5
301.14444	2.6
304.13214	7.7
305.13757	5.5
315.19604	5.3
318.14771	4.5
319.15381	2.5
330.14624	2.3
333.20813	4.4
399.21808	6.5
411.21640	6.5
417.22729	26.5
418.23041	4.2
425.23416	9.8
426.23010	2.2
429.22815	49.2
430.22986	6.2
443.24368	100.0
444.24753	12.9
455.24365	17.6
456.24820	2.8
522.25659	3.1
523.27173	10.8
629.34656	3.6
647.35840	78.9
648.36273	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.6
69.80204	22.2
85.02876	4.8
93.03340	14.6
98.19851	5.7
104.81634	4.0
109.02836	16.7
111.04396	4.2
121.10193	6.0
124.90985	3.7
125.09650	9.2
135.04420	38.2
136.04755	12.1
137.09639	10.9
147.04469	3.8
159.04427	14.3
161.02374	23.8
171.10190	15.7
173.04533	12.4
174.04811	7.2
179.03413	13.0
180.03755	3.2
185.11809	9.2
191.03787	4.7
191.05536	90.4
192.05873	15.0
193.06039	13.1
203.03459	3.7
225.05577	10.3
260.78180	3.9
291.19687	46.5
292.06851	3.8
305.21201	17.1
309.09418	3.8
311.22461	6.5
323.22278	100.0
353.08768	11.2
355.09091	4.9
399.21506	4.1
423.21725	3.9
559.26733	25.9
560.27716	5.5
647.30286	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.5
57.03329	3.4
58.00459	2.6
59.01253	100.0
60.01579	2.0
65.17107	1.2
66.88866	1.3
69.03303	1.6
71.01256	56.2
71.57990	1.5
71.58443	1.7
72.99183	3.8
73.02813	8.5
78.95789	3.3
83.01257	5.4
85.02814	19.8
87.00754	4.9
87.22314	1.4
89.01824	2.5
89.02325	32.0
93.03349	4.0
95.01257	5.1
96.95881	13.7
97.02818	2.3
99.00758	3.8
101.02332	25.5
108.02132	1.9
109.02853	3.7
111.04449	1.5
113.02337	33.7
119.03401	16.2
121.02859	1.9
122.05968	3.0
125.02348	4.0
131.03406	1.6
135.04356	6.4
137.02325	4.8
143.03398	4.8
143.04448	1.4
151.00182	1.5
151.03873	1.7
161.04472	7.7
173.04517	5.2
177.01848	2.0
179.03401	2.0
179.05595	7.7
191.03839	2.3
191.05527	15.8
192.05876	1.6
233.00938	2.0
233.89368	1.4
354.69937	1.3
371.09854	2.0
381.22897	2.5
399.23975	3.0
410.88071	1.8
437.07162	1.7
448.18915	1.5
492.17688	3.0
507.26251	1.8
513.91040	1.5
524.20227	1.8
543.28094	34.2
543.35846	2.6
544.28491	4.2
561.29108	40.6
562.29462	6.2
569.15253	1.4
571.25598	1.8
603.30243	3.7
615.24188	2.2
647.27747	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.5
57.03329	3.4
58.00459	2.6
59.01253	100.0
60.01579	2.0
65.17107	1.2
66.88866	1.3
69.03303	1.6
71.01256	56.2
71.57990	1.5
71.58443	1.7
72.99183	3.8
73.02813	8.5
78.95789	3.3
83.01257	5.4
85.02814	19.8
87.00754	4.9
87.22314	1.4
89.01824	2.5
89.02325	32.0
93.03349	4.0
95.01257	5.1
96.95881	13.7
97.02818	2.3
99.00758	3.8
101.02332	25.5
108.02132	1.9
109.02853	3.7
111.04449	1.5
113.02337	33.7
119.03401	16.2
121.02859	1.9
122.05968	3.0
125.02348	4.0
131.03406	1.6
135.04356	6.4
137.02325	4.8
143.03398	4.8
143.04448	1.4
151.00182	1.5
151.03873	1.7
161.04472	7.7
173.04517	5.2
177.01848	2.0
179.03401	2.0
179.05595	7.7
191.03839	2.3
191.05527	15.8
192.05876	1.6
233.00938	2.0
233.89368	1.4
354.69937	1.3
371.09854	2.0
381.22897	2.5
399.23975	3.0
410.88071	1.8
437.07162	1.7
448.18915	1.5
492.17688	3.0
507.26251	1.8
513.91040	1.5
524.20227	1.8
543.28094	34.2
543.35846	2.6
544.28491	4.2
561.29108	40.6
562.29462	6.2
569.15253	1.4
571.25598	1.8
603.30243	3.7
615.24188	2.2
647.27747	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05246	1.5
57.03312	1.8
59.01252	31.4
71.01269	11.3
71.58254	1.6
73.02821	4.9
73.16408	1.3
78.95792	3.6
81.03348	1.7
83.01273	2.4
83.04900	2.5
85.02830	4.2
89.02338	6.1
93.03332	5.6
94.02869	3.1
95.03584	1.5
96.95906	6.3
96.96809	1.4
98.98096	1.3
99.00797	1.5
101.02336	9.6
108.02079	1.9
108.04417	4.1
109.02863	6.2
111.04453	1.7
113.02328	4.5
119.03400	1.6
120.08102	2.9
121.02852	3.1
122.06014	9.1
123.03172	1.6
123.04413	2.3
124.03922	4.5
124.07607	2.6
125.02345	3.9
127.11163	1.7
130.06566	2.2
134.05966	2.0
135.04443	4.9
135.08105	1.5
136.03923	3.2
138.05528	6.6
144.04449	1.9
146.06032	1.6
147.05522	4.2
150.05518	5.1
151.00237	1.8
152.01164	2.0
153.01833	2.8
160.03958	2.0
161.02335	2.6
161.04630	4.3
162.05629	2.3
168.06760	1.7
173.04495	6.5
174.05482	7.1
175.05042	3.6
177.01820	1.6
191.05547	12.9
198.03098	1.4
201.10146	5.7
201.11249	22.5
203.05739	2.7
209.11784	31.2
213.10437	7.5
215.11842	2.1
217.13354	2.2
227.12392	2.3
229.09793	18.4
229.13254	8.0
230.09943	2.3
233.00934	3.0
237.10249	1.9
239.11954	8.1
240.03976	1.7
241.09660	3.0
241.13443	2.6
245.13029	2.4
247.10849	4.2
253.09373	5.0
255.11374	5.3
257.13113	6.7
257.15329	1.6
267.11374	4.0
273.12347	7.0
283.10925	2.8
285.12494	13.2
289.11911	3.0
291.11411	4.0
297.12509	1.7
301.11938	18.1
302.12256	2.3
316.10242	1.5
319.12997	100.0
320.13309	5.9
327.13428	8.4
330.12628	2.2
341.16119	1.4
342.12619	2.2
343.13220	3.0
344.14111	1.5
346.11740	1.6
346.15643	1.8
358.16080	2.2
370.15808	2.8
372.13461	3.5
373.14676	2.3
377.13824	3.4
378.14249	1.6
379.18735	1.9
386.15018	4.9
388.16711	4.1
390.14807	2.6
399.23630	2.3
400.16748	2.6
403.15192	3.3
404.16315	7.8
405.16864	2.9
406.17249	2.1
414.14542	3.3
418.14023	2.5
419.14560	3.4
432.15347	3.9
437.15689	3.5
446.17252	4.3
447.17795	4.0
503.26331	3.8
511.23206	4.3
529.24487	35.2
530.25024	3.4
545.29700	2.2
547.25348	1.9
553.24487	6.3
571.25610	68.8
572.25970	12.2
574.24335	6.1
575.25177	2.3
597.23346	4.9
615.15161	2.5
615.24622	60.7
616.25159	9.8
647.27197	38.4
648.27716	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01255	26.1
59.08208	1.1
67.01741	1.3
69.44535	10.4
71.01254	7.9
72.99163	1.4
73.02826	4.0
78.44465	1.1
78.95780	5.5
82.95296	3.3
83.01267	2.2
83.04849	1.4
85.02833	3.9
87.00740	2.2
89.02327	4.4
89.83138	1.1
93.03345	4.1
94.02872	2.9
95.01241	1.3
96.95892	7.7
96.96851	3.2
101.02344	5.2
106.06519	1.2
108.02091	2.3
108.04451	3.3
109.02834	3.4
113.02333	4.2
119.03368	2.1
120.08128	1.6
121.02860	2.9
122.02409	1.3
122.05984	6.0
123.03152	1.8
124.03922	4.3
124.07584	2.3
125.02370	3.2
133.02884	2.3
134.06035	1.6
135.04424	7.4
136.03952	4.9
137.02324	2.8
137.04735	2.7
138.02950	1.3
138.05487	5.4
144.04491	2.8
147.02998	1.5
147.05534	3.9
150.05521	4.8
152.00948	1.1
153.01865	1.7
155.41626	1.1
159.04449	1.1
160.03946	1.9
161.02344	1.5
161.04680	4.3
162.05519	2.2
168.06599	2.3
173.04463	7.0
174.05537	5.1
175.05070	3.7
179.03551	1.7
185.11772	2.5
191.05562	11.4
192.06012	1.1
193.03770	2.4
201.10338	13.8
202.12172	1.5
203.05663	2.3
209.11829	7.9
210.12225	1.5
213.10237	9.1
214.07407	1.4
217.13470	1.5
223.08788	1.9
227.11905	2.8
229.09805	19.5
229.13292	7.7
233.00883	2.3
235.08476	1.2
237.10286	3.7
239.11923	7.7
241.09827	3.7
241.13498	2.4
243.11504	2.2
245.13017	2.6
247.10844	2.9
253.09476	2.9
255.11357	5.9
257.12958	4.2
263.08386	1.5
267.11411	4.8
271.10986	1.2
273.12479	7.5
276.09088	1.7
278.10422	1.8
279.11243	1.5
285.12494	12.7
289.11893	6.2
291.11450	6.4
295.10855	1.8
301.11987	19.2
302.12357	1.8
303.13513	3.2
319.12997	100.0
320.13272	9.5
327.13522	8.3
330.12497	3.2
343.13245	2.0
344.10236	1.4
344.14096	2.0
346.11832	2.1
346.15622	1.5
358.15759	1.7
360.17166	1.5
370.15573	2.4
372.13446	4.8
376.16672	1.7
377.13620	5.4
386.15085	5.3
387.15738	2.2
388.16699	3.4
389.17535	1.7
390.14560	2.6
400.16577	1.7
403.15274	4.1
404.16211	8.3
405.16788	3.8
406.17334	1.3
412.16840	1.8
413.17218	1.4
414.14395	2.7
416.16113	3.6
418.13739	1.4
429.17081	2.0
432.15652	4.7
437.07147	1.3
437.15836	4.9
446.17325	3.5
447.17789	4.9
448.18695	2.5
489.52731	1.5
490.16113	1.5
491.16931	2.1
503.26804	5.5
509.26147	1.3
511.23505	3.0
529.24597	33.2
530.24933	7.9
545.28821	1.3
553.24353	10.7
571.25647	65.0
572.25854	12.7
573.24298	1.5
574.24536	6.3
575.24774	1.5
585.26141	1.4
597.23083	3.2
598.23523	1.7
603.28888	2.1
615.24585	57.7
616.24933	7.9
629.26154	1.9
647.26941	25.7
648.27728	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.1
59.01248	23.7
59.72304	1.1
65.00198	1.3
67.01770	1.5
69.49056	1.2
69.91571	1.1
71.01254	14.2
71.58204	1.6
71.83482	1.1
72.46251	1.1
72.99181	1.8
73.02805	4.4
78.95780	1.7
83.01294	1.3
85.02823	5.1
87.00758	3.3
89.02328	7.1
93.03322	3.5
94.06516	2.8
95.01286	2.5
96.95901	8.8
99.00800	1.1
101.02327	8.4
106.06511	1.5
108.02052	1.9
108.04423	4.8
108.08041	1.9
109.02836	3.4
110.05984	4.7
111.04466	1.6
112.38811	1.3
113.02352	5.9
119.03375	4.0
119.04819	1.5
122.06009	20.3
129.66795	1.3
133.02844	2.0
134.06042	6.0
135.04402	6.4
136.07581	4.3
137.02359	2.6
143.03365	2.2
144.04471	1.9
146.06026	3.2
151.03880	1.5
152.07057	4.8
159.06952	1.4
161.02440	2.3
161.04539	2.6
162.05505	2.8
172.03716	1.3
173.04462	6.9
174.05499	3.6
179.03401	3.1
179.05566	2.7
180.06599	16.2
186.05479	2.5
188.07135	12.6
191.05544	16.6
203.05707	1.7
213.10269	2.0
215.11900	1.7
223.08638	1.5
224.09534	2.5
225.10509	1.4
237.10283	3.5
237.42532	1.2
239.11859	10.2
241.09755	1.5
241.13388	4.0
251.08215	4.2
251.11842	3.6
252.08760	1.4
253.09674	1.3
257.12988	2.1
263.11945	2.4
264.09009	3.3
265.09790	12.8
266.10556	2.7
267.11362	3.8
279.07693	3.6
279.11343	6.8
280.12119	5.1
281.12833	1.6
283.10776	1.5
284.03210	1.7
285.12372	5.0
291.11374	3.8
292.08530	3.0
293.09439	10.1
294.09836	1.5
301.11816	1.7
303.13300	2.5
306.07126	1.3
307.07593	1.5
307.10910	20.8
308.11639	33.0
309.12262	5.3
311.10394	3.0
312.11090	2.4
319.13065	2.1
325.12109	1.3
340.10690	17.5
341.10995	2.0
343.12936	1.5
353.11462	1.3
366.44458	1.6
388.16638	2.5
398.15170	1.3
402.18246	1.5
406.17776	1.9
418.17621	4.9
430.17703	23.3
431.17975	1.7
448.18790	32.9
449.18939	2.9
456.15167	2.6
464.18210	2.0
474.16708	8.1
492.17780	100.0
493.17978	12.3
496.20889	2.3
506.19290	4.5
524.20398	84.0
525.13135	1.8
525.20605	11.0
553.24414	3.8
561.28821	2.0
571.25635	1.8
597.23657	3.9
615.24530	5.3
629.26599	1.8
647.28290	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
68.62598	0.6
70.77937	1.3
70.78304	1.1
71.01257	1.2
78.95779	54.3
84.92163	0.6
89.37785	0.6
96.95958	3.8
96.96842	100.0
110.35365	0.6
111.01916	4.5
191.05525	1.6
269.92447	0.5
285.03967	0.6
285.07571	1.0
305.01746	1.5
306.11957	1.2
366.34903	0.6
450.57358	0.8
505.14816	0.6
647.16156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42600	4.1
59.00949	6.3
59.01251	84.3
69.34029	53.3
71.01250	54.1
73.02811	59.3
83.01257	15.3
85.02815	8.3
85.49962	4.2
87.00734	5.8
89.02317	17.4
93.03329	13.8
94.61140	4.6
96.95882	15.8
101.02320	50.6
109.02858	10.8
113.02382	11.2
124.42274	4.7
134.03616	6.8
135.04405	14.9
147.04442	10.9
152.23871	5.0
159.04474	6.1
161.04504	13.2
177.90126	4.7
189.09142	17.1
191.05557	29.7
192.05983	7.1
193.08597	12.8
201.09116	11.0
204.71846	4.6
205.08563	5.6
219.08270	8.1
219.10228	100.0
220.10651	10.4
277.77548	4.7
322.59402	4.9
381.17142	50.6
588.17224	5.3
603.24646	55.9
604.24353	9.5
647.28479	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18189	1.3
59.01256	27.3
63.28860	1.4
69.89085	7.8
71.01247	12.0
72.99157	1.7
73.02828	3.6
78.95787	4.4
83.01277	2.3
85.02830	4.6
85.42387	1.3
87.00712	2.0
89.02316	4.3
93.03329	6.4
95.01275	2.7
96.95881	5.5
101.02321	5.9
108.02052	2.3
109.02857	4.3
113.02316	5.2
119.04913	13.1
121.02853	3.0
122.06004	3.9
123.04404	2.7
125.02296	8.4
131.08574	1.6
133.02884	1.8
134.03627	6.6
135.04414	9.1
137.02336	3.6
146.06024	1.9
147.04425	5.6
148.05194	4.7
149.05977	3.8
151.03976	2.3
159.04375	3.3
159.08046	2.5
160.05116	2.6
161.02420	2.2
161.04477	2.2
163.07523	5.5
171.04477	1.6
173.04482	4.9
173.05907	1.6
175.07512	10.4
185.06017	1.9
189.09184	12.3
191.05568	12.4
193.08629	29.1
201.05537	2.1
201.09114	7.9
201.11130	2.5
203.07144	3.1
205.08617	9.4
219.10223	100.0
220.10587	6.2
221.08121	4.4
229.14345	2.3
239.11775	1.4
241.13356	1.7
257.13144	1.8
267.11264	2.0
276.08954	2.8
277.05267	1.4
283.10657	1.5
285.12198	1.9
291.11340	10.2
303.13501	3.0
313.54907	1.6
323.12857	16.1
335.10211	4.7
353.10126	3.0
399.18127	57.9
400.18372	6.6
423.16754	3.9
426.74869	1.9
429.22552	2.1
457.16388	2.2
485.18311	5.6
525.21277	3.5
553.24176	3.3
571.25244	3.2
597.23431	4.5
603.24628	3.5
615.24554	6.7
629.25977	3.8
647.27100	20.2
647.35822	1.6
648.27478	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38371	0.2
59.01249	0.3
70.06946	1.0
76.46778	0.2
79.95609	2.9
84.49471	0.2
94.75349	0.2
96.95886	100.0
97.95846	0.3
98.20541	0.2
102.14533	0.2
107.01242	0.2
109.02801	0.3
113.75316	0.2
121.02955	0.2
135.04401	0.3
176.46303	0.2
187.07416	0.3
191.05505	0.8
214.92021	0.2
255.02887	0.4
271.02551	0.9
300.02725	2.1
301.03442	0.9
302.04099	0.2
505.09717	2.8
506.10349	0.3
663.12408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	6.2
67.46355	2.7
71.01247	7.0
71.57529	3.0
72.45491	3.7
72.99175	3.8
75.00748	3.9
85.02835	3.5
96.95917	20.4
98.02306	3.3
99.00769	3.6
101.02311	3.3
112.98712	8.7
135.04462	4.6
141.50276	2.5
142.99774	3.3
145.01328	5.2
149.02351	3.5
161.02370	3.7
171.00978	4.0
173.04475	5.1
179.03406	7.2
179.07037	3.7
191.05505	9.1
203.37169	2.6
203.39372	2.9
228.55807	2.6
234.05293	3.7
249.07640	4.9
263.05820	13.3
276.06271	3.0
291.08783	12.6
309.09808	3.8
335.09036	3.7
603.17395	7.5
647.16394	100.0
648.16803	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
59.38340	0.3
59.57479	0.3
64.42720	0.3
69.78144	2.1
71.01247	0.5
78.95777	11.7
79.95613	2.6
89.02322	0.8
90.67140	0.3
93.03325	0.3
96.95891	100.0
96.96817	21.7
97.92197	0.3
98.02354	13.9
101.02305	0.4
135.04395	0.8
144.09322	0.3
185.52986	0.3
191.05481	1.5
549.25067	0.8
604.87701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03960	1.2
67.39227	1.2
71.57483	2.4
72.00770	1.5
73.03946	27.2
74.58809	1.6
75.08233	1.3
78.95792	1.9
83.02404	1.7
99.01882	3.4
126.09119	1.4
140.85356	1.4
141.10243	1.4
147.04422	10.0
152.99501	1.8
164.07074	18.4
165.10274	6.2
168.11337	5.7
169.09750	6.1
177.10223	5.6
185.73621	1.3
186.12410	33.6
203.08206	3.4
221.09276	1.9
225.13504	4.9
226.21739	5.9
243.14595	9.1
266.21252	2.1
283.23907	35.9
285.57785	1.7
290.18805	5.3
347.20782	8.3
350.61008	1.6
414.41806	1.8
436.32013	2.0
601.39691	100.0
602.40045	16.2
645.42383	32.2
646.42737	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	6.3
58.36354	0.7
59.01249	5.5
65.99715	1.6
70.02824	1.0
71.01248	2.1
72.00770	1.3
73.02797	1.6
74.02348	15.2
82.02827	1.3
85.02849	1.4
86.02347	5.9
86.06013	1.1
86.98956	1.1
87.05498	3.1
87.80875	0.7
88.09428	0.8
89.02331	1.5
91.60078	0.9
93.03278	1.7
96.95919	4.3
97.03972	1.1
99.05524	12.5
101.02331	1.1
101.07070	1.7
102.05480	1.5
108.02046	2.9
109.02820	2.5
109.03967	2.0
111.05479	0.9
112.03893	1.6
113.02272	0.8
121.02866	1.5
124.03909	1.1
125.03465	1.3
127.05025	1.3
128.02501	1.9
128.03432	35.1
131.15668	0.9
135.04420	1.8
135.05542	2.5
137.02341	2.7
141.06602	3.1
143.04527	43.8
144.04871	1.0
145.06113	2.3
146.04486	3.8
151.07542	1.1
152.01030	2.1
153.01913	1.0
153.06647	4.1
160.00665	11.6
161.04430	1.3
165.01848	6.7
166.02275	2.7
166.09706	1.5
167.04517	2.7
167.08153	1.9
173.04474	1.3
177.03311	4.0
179.03392	0.9
179.04578	9.3
180.04202	5.0
181.04710	2.4
181.06197	1.1
185.05597	2.4
191.05519	4.6
195.06531	6.4
196.06860	2.4
196.51608	0.8
197.05617	1.0
210.05327	0.9
210.08809	7.1
225.07634	4.2
226.08006	2.8
230.15199	1.2
231.95807	0.8
242.07785	1.3
251.42458	0.8
254.07762	11.0
272.08859	21.6
273.08929	1.0
288.06570	6.8
289.64508	0.9
306.07651	100.0
307.07953	6.3
341.00043	0.8
389.15717	1.4
390.16351	1.0
415.14072	1.6
417.15396	1.0
442.15048	2.1
483.33255	1.0
568.22357	1.5
646.23853	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.7
67.01755	0.4
69.76984	0.9
69.77404	0.8
71.01250	0.7
85.02827	6.1
87.00745	0.9
93.03325	2.7
96.60320	0.3
99.06709	0.3
109.02811	0.6
111.04403	0.7
127.03909	1.8
133.02867	3.4
134.03610	1.0
135.04408	12.3
136.04744	0.4
161.02350	17.3
162.02669	0.3
171.02896	0.5
173.04478	2.8
179.03416	7.0
191.05537	100.0
192.05890	3.9
222.90071	0.3
307.08325	0.5
308.09061	0.5
309.20697	5.8
310.20969	0.6
352.07996	0.8
353.08780	12.9
354.09137	1.2
453.22473	0.4
465.24844	0.6
471.24146	0.4
483.25876	3.0
484.26642	0.5
645.29169	3.6
646.29132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.1
60.99164	0.8
67.01766	3.7
69.03331	0.7
70.10624	3.6
71.01250	2.6
73.02824	0.7
81.03300	1.3
83.04880	0.9
85.02828	11.1
87.00758	5.0
89.87065	0.7
93.03335	25.2
94.03652	0.8
98.19919	0.9
99.00745	0.8
101.02458	0.6
108.02040	1.3
109.02824	1.9
111.04370	3.5
112.48026	0.6
119.43657	0.7
121.02826	1.7
124.01533	3.1
125.02388	1.0
126.03136	0.8
127.03894	2.4
132.02066	1.8
133.02849	5.5
134.03633	8.3
135.04416	54.1
136.04768	2.6
137.02310	3.5
150.03160	1.2
151.03923	7.0
155.03391	1.4
160.01584	2.6
161.02342	8.8
173.04475	28.1
174.03204	1.6
174.04771	1.0
177.01849	1.7
178.02682	3.7
179.03439	12.8
180.03975	1.0
191.05539	100.0
192.05887	3.1
197.06032	1.4
237.09064	1.1
290.07809	0.8
293.21240	1.7
307.08258	2.3
308.05606	1.1
308.08917	7.3
309.09085	1.0
351.07187	3.3
352.07990	7.3
353.08392	1.3
373.15161	0.8
391.22928	0.8
409.23798	14.3
410.24142	1.9
427.24854	8.0
428.24918	0.9
453.22845	15.1
454.23050	1.6
645.29065	12.6
646.29620	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00850	0.7
59.01236	1.5
61.05351	0.7
69.25742	7.5
71.01244	2.3
85.02827	7.4
87.00741	1.3
87.86239	0.7
92.88570	0.6
93.03321	4.1
99.68945	0.7
100.37404	0.6
108.02052	2.0
109.02831	1.7
111.00761	0.8
111.04392	1.1
121.02853	1.5
122.03619	1.5
124.01548	5.9
125.02345	2.9
126.03127	1.9
127.03917	1.5
132.02032	4.0
133.02885	0.8
134.03642	6.2
135.04419	100.0
136.04648	3.1
137.02335	1.7
148.05144	0.9
150.03113	4.6
151.03918	11.5
156.33517	0.6
160.01546	4.8
161.02328	4.3
173.04477	2.9
178.02615	1.6
179.03419	19.2
180.04077	2.3
191.05542	84.1
192.05930	2.3
211.07581	0.7
255.13824	1.7
268.58731	0.7
271.97357	0.7
281.11765	4.3
282.12387	0.9
290.07986	1.9
307.08234	4.7
308.08984	17.3
309.09402	2.0
352.07904	7.7
391.22739	0.8
409.23956	4.5
410.24490	0.7
427.24765	1.7
435.21793	2.5
453.22821	17.2
454.23132	3.2
580.29254	0.8
640.42828	0.7
645.29205	2.4
646.29492	0.9
668.53851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29065	0.8
57.03292	1.1
59.01239	3.1
59.65689	0.8
60.90762	0.8
60.99189	2.0
61.72728	0.9
67.01762	7.0
69.03325	1.6
69.27535	4.5
69.27966	4.7
71.01252	4.1
81.03333	1.4
83.04889	2.0
85.02827	12.4
87.00753	8.1
91.12218	0.8
93.03338	37.8
108.02042	1.0
109.02831	2.7
111.04397	6.3
121.02805	1.6
124.01552	1.7
125.02320	2.1
127.03897	2.7
134.03625	3.4
135.04413	31.0
136.04808	0.9
137.02353	2.6
148.05157	1.7
151.03900	3.3
155.03455	2.2
159.04408	1.5
160.01479	1.0
161.02287	1.2
171.10309	1.3
173.04475	18.0
173.05898	1.2
174.06696	1.0
178.02759	1.1
179.03394	5.9
185.05968	3.4
191.05545	100.0
192.05827	4.9
200.04594	1.2
211.07692	1.5
225.09132	2.7
226.09885	1.9
237.05347	1.2
239.10777	1.0
255.13890	13.3
256.14365	1.4
281.11871	3.0
307.08359	2.0
308.08920	4.6
331.19165	1.6
352.07983	3.9
353.08319	0.9
386.26929	1.0
391.22855	1.6
409.23767	2.9
427.24789	7.1
435.21786	1.1
453.22836	18.3
454.23160	2.8
471.23785	2.5
483.26157	1.2
645.29095	37.7
646.29468	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	21.0
67.01759	1.1
67.74905	0.6
69.31273	0.6
70.33260	0.6
70.57310	1.2
70.57670	1.1
71.01252	8.2
72.99210	1.2
73.02816	2.3
78.95794	1.2
81.03281	0.7
83.01273	1.5
83.04885	0.7
85.02822	4.6
87.00759	1.0
89.02328	4.9
93.03345	2.4
95.01286	0.7
95.04890	0.9
96.95868	3.1
97.02844	0.6
101.02335	5.2
108.02061	1.0
109.02846	2.3
111.04418	0.7
113.02337	5.0
119.03399	2.0
120.04453	2.8
121.05228	2.6
122.06017	6.3
123.00748	0.6
123.04391	0.8
125.02321	1.0
133.02875	0.8
134.06035	1.6
135.04399	3.0
135.06815	1.4
136.07590	11.7
137.02328	2.3
144.04466	0.9
145.05228	0.6
146.06027	0.6
149.05966	1.9
151.03964	0.6
153.01810	0.6
161.02455	0.7
161.04517	1.4
161.07117	0.8
162.05504	1.1
163.03764	0.7
163.42641	0.6
171.11723	2.1
173.04510	1.6
173.05943	0.7
179.05595	1.0
182.10063	0.6
186.09070	0.7
188.03358	0.7
191.05530	7.3
198.09221	1.8
199.09937	2.4
203.05763	2.7
214.12331	10.4
215.12680	0.9
225.06717	0.7
227.08209	2.3
228.08858	0.9
229.09727	4.7
230.09979	0.6
230.11844	3.8
239.11917	0.7
241.09824	7.9
242.10590	15.8
243.10983	1.7
255.11403	0.8
256.12161	0.9
257.12946	84.4
258.13263	5.7
263.11826	0.6
267.06555	1.4
268.07339	0.7
300.11264	1.1
301.11945	100.0
302.12338	8.9
325.11884	1.4
336.95236	0.6
337.09357	0.8
343.13095	4.0
438.70349	0.6
446.16721	0.9
483.33716	0.9
522.18408	0.7
543.28186	1.7
551.22552	0.6
569.23846	1.4
613.22845	1.0
627.16711	0.7
644.36200	0.9
645.25043	2.3
645.36487	3.8
653.94196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00951	0.9
59.01250	14.3
64.78880	0.6
67.01760	1.2
71.01254	6.6
71.58112	1.5
72.99194	1.1
73.02815	1.9
78.95770	1.4
83.01281	1.0
85.02819	3.3
87.00762	0.6
88.98696	0.6
89.02321	3.0
93.03334	2.9
95.01294	0.9
95.04889	0.9
96.95887	3.8
101.02341	4.0
107.03619	0.7
108.02062	4.5
109.02900	3.9
113.02340	3.6
116.92690	0.6
119.03400	1.6
120.04450	2.8
121.02845	1.1
121.05251	3.1
122.06002	6.3
123.04387	0.7
125.02372	1.0
133.02913	0.8
134.06013	1.5
135.04401	2.1
135.06795	1.5
135.08035	0.6
136.07581	12.7
137.02353	1.6
144.04469	1.4
149.02432	1.0
151.00290	0.8
151.03925	1.2
151.07561	1.6
152.01073	5.2
152.99426	0.7
153.01875	3.6
155.10785	0.6
161.02362	0.7
161.04472	1.3
161.07205	1.1
162.05510	1.0
163.03918	0.8
165.01839	2.2
165.05530	0.8
171.10242	1.5
171.11678	2.5
173.04482	3.3
179.03462	1.2
179.66931	0.8
180.04207	0.9
186.09180	1.2
191.05539	9.8
191.07132	1.0
195.06554	1.9
198.09161	2.5
199.10037	1.5
203.05814	2.2
204.06654	1.2
214.12297	12.7
227.08188	2.3
228.08859	0.9
229.09776	4.5
230.11882	3.8
239.07123	0.8
241.09782	11.1
242.10548	17.3
243.11029	1.7
256.12146	2.6
257.12936	92.0
258.13257	8.5
266.98096	0.7
267.06674	1.0
300.11020	1.2
301.11929	100.0
302.12173	7.8
306.07565	0.7
329.23383	0.9
337.04733	0.7
343.13010	4.7
347.24417	0.9
360.19250	0.7
365.13715	0.7
482.31827	0.7
483.33151	1.1
569.24414	0.9
585.36731	0.8
613.22852	1.4
645.31055	7.1
646.33173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79858	0.5
57.50550	0.5
59.01257	6.7
67.01770	1.0
70.96525	0.5
71.01258	2.6
79.71988	0.5
85.02847	1.0
89.02328	1.0
92.59662	0.5
93.03343	1.0
96.95905	0.9
99.31863	0.5
101.02353	1.0
109.02863	0.6
110.06002	0.7
113.02336	1.0
120.04452	2.9
120.05202	0.5
121.05249	2.0
122.05996	5.2
134.06000	1.9
135.04460	1.1
135.06778	1.1
136.07587	9.9
144.04465	1.4
161.07216	1.0
162.05560	0.9
171.11694	1.1
186.09137	0.6
188.03561	0.5
191.05499	2.2
198.09201	1.7
199.09924	1.3
203.05765	2.7
214.07370	0.9
214.12323	11.3
215.12624	1.0
227.08142	2.7
228.08919	1.3
229.09819	5.3
229.24063	0.6
230.11827	3.5
241.09796	8.9
242.10568	15.1
243.10921	1.3
256.12097	0.8
257.12939	83.2
258.13306	6.8
300.11136	1.0
301.11932	100.0
302.12274	8.1
313.11780	0.7
325.11948	1.3
343.12784	4.2
573.23547	0.6
645.26123	0.7
645.36768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63976	1.8
58.02848	5.9
59.01256	10.3
70.02849	6.4
71.01258	4.8
71.58759	3.5
72.04409	2.0
74.02348	34.9
83.06686	2.4
85.02825	4.2
87.00758	2.0
89.02335	3.3
91.89018	1.7
93.03363	2.3
96.95905	5.0
98.02357	6.4
101.02299	2.5
109.02861	2.2
116.03446	10.1
116.04952	9.3
142.06541	4.9
159.09177	4.1
191.05579	9.2
201.10287	2.8
203.08228	38.6
227.03423	8.9
240.03915	2.1
245.09308	100.0
246.09747	4.8
255.02985	15.1
256.03448	2.1
284.03326	19.1
285.03922	6.0
609.14648	19.0
610.14655	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	4.6
57.81149	3.6
59.01254	76.3
61.98675	5.3
67.01748	8.9
70.16144	21.1
70.24165	3.7
71.01254	40.9
73.02825	34.9
78.95803	4.9
83.01249	6.5
83.04899	8.1
85.02825	20.3
85.49531	4.2
87.00747	9.4
87.98560	4.3
89.02312	10.1
93.03328	37.7
95.01243	6.2
96.95897	26.1
98.19902	6.4
98.95480	9.1
99.00745	6.4
101.02335	25.3
109.02834	13.4
111.00771	4.9
111.04370	9.0
113.02331	12.1
113.46295	4.2
115.91909	4.2
121.02831	6.4
121.06467	5.7
123.04399	6.1
127.03893	5.5
133.02811	7.5
134.03624	15.6
135.04402	28.8
137.02319	14.1
139.03891	8.4
143.03384	6.3
147.04343	6.5
148.05191	9.0
149.05919	5.1
151.03911	5.7
155.03401	5.3
159.04366	32.3
161.02280	6.3
163.07545	6.1
172.05139	4.8
173.04472	51.0
173.09589	5.6
179.03479	7.4
187.07535	6.0
189.09134	15.4
191.03954	7.9
191.05545	100.0
191.07059	7.9
192.05968	6.4
199.07550	5.8
199.13243	8.8
203.07008	13.4
209.11743	13.4
217.08647	70.8
223.17079	4.6
255.13730	4.4
257.12790	8.9
281.08160	4.5
294.88086	4.1
301.11963	12.4
309.20523	4.9
379.15488	45.1
391.22705	5.9
409.23978	7.2
427.24884	53.9
453.22769	16.4
471.23785	6.9
483.26639	9.1
491.15097	4.6
571.21509	5.8
601.22919	47.5
602.22876	7.0
644.37811	5.4
645.28308	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91114	2.4
57.03335	3.2
59.01250	36.9
67.01760	6.1
71.01261	18.2
71.58526	3.7
71.66822	2.4
73.02850	2.4
78.95777	8.1
79.81696	2.9
79.95609	4.0
80.04948	3.2
83.04909	3.1
83.78255	2.7
85.02831	10.4
87.00780	4.7
89.02348	4.1
93.03357	9.5
94.06491	3.5
96.95886	77.7
96.96818	4.6
97.68114	2.5
99.00777	3.6
100.53216	2.5
101.02324	8.4
106.06515	3.8
107.03638	11.7
109.02847	11.2
111.00701	2.5
113.02324	6.5
119.03338	3.2
120.08092	26.3
121.02847	4.6
122.06010	98.2
123.04420	6.8
125.02317	6.5
132.04436	4.6
134.06012	7.6
134.91783	2.7
135.04434	21.6
137.02335	13.4
147.03239	2.4
147.04401	2.8
148.55582	2.4
150.05484	3.8
151.03961	3.5
152.07082	93.8
153.05460	4.2
153.07442	3.3
158.02246	3.0
159.04492	4.0
163.07555	2.5
165.05458	2.9
173.04454	7.4
173.05919	3.0
177.09189	3.4
178.44257	2.6
190.05168	4.6
191.05548	40.6
192.05841	3.5
195.70268	2.2
197.11781	8.0
209.11777	10.2
223.08740	7.7
224.09395	5.2
225.05528	5.5
225.10292	3.5
227.07086	5.6
227.10776	2.8
227.12900	7.4
237.10335	17.4
238.11111	5.2
239.11864	11.5
245.12941	2.8
249.06583	2.8
249.10382	3.5
251.07957	3.0
251.11880	7.3
263.08350	6.7
264.09021	11.1
265.09772	4.7
271.10989	5.0
276.09186	3.9
278.10684	5.9
279.08411	4.7
279.11365	41.2
280.11975	7.7
281.04700	3.3
291.11389	11.4
293.13031	3.2
295.10806	3.6
312.11118	3.2
323.10370	8.0
325.11841	5.0
335.09198	3.6
359.16367	2.9
379.15424	8.7
402.18304	13.2
444.18997	20.7
445.19983	6.3
448.18820	5.8
456.16019	3.0
482.27344	5.4
488.18277	37.5
489.19205	18.5
491.10223	3.3
520.20837	48.2
521.21265	11.3
567.26263	41.5
568.26666	6.0
611.14880	5.1
611.25116	100.0
612.25555	20.9
643.27502	20.5
643.37024	20.7
644.36426	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
57.03341	0.5
59.01249	7.1
61.12851	0.4
67.01770	1.1
69.06592	0.4
70.21472	0.5
71.01248	4.0
71.58625	0.6
73.02814	0.8
78.95779	2.1
79.05412	0.5
79.95613	0.9
81.03336	1.0
82.05098	0.5
83.04900	0.8
85.02826	12.6
87.00741	3.1
89.02330	0.9
93.03350	7.1
95.01328	0.5
95.04918	0.5
96.95895	35.6
96.96796	2.7
99.04399	0.6
101.02328	1.4
104.11845	0.4
109.02853	2.5
111.00771	0.7
111.04370	2.4
113.02382	1.1
114.92382	0.5
121.02865	0.9
121.06475	0.6
123.04419	2.7
125.02356	0.9
127.03893	3.2
133.02867	0.5
135.04410	2.0
137.02342	1.9
139.03906	0.9
143.03435	0.4
144.74142	0.5
146.08997	0.5
151.00305	0.5
151.03928	1.9
155.03383	1.4
159.04474	1.3
161.02385	0.5
171.02893	0.8
171.86340	0.6
172.05162	0.7
173.04480	6.2
173.05841	0.9
174.03197	0.6
177.01819	0.8
185.05998	0.8
187.03877	0.6
187.07579	0.5
191.05547	100.0
192.05850	3.9
193.04977	0.6
196.05035	0.5
197.06055	2.5
197.11763	3.5
199.03937	8.6
202.02632	0.5
208.20343	0.5
209.06039	5.7
209.11803	2.3
211.03973	0.7
211.07538	1.0
213.09160	0.6
223.07559	1.5
225.09216	1.1
227.03624	0.6
227.07083	1.1
227.10773	0.5
227.12857	1.5
235.07620	1.6
237.09016	0.6
239.06970	0.6
247.07675	0.5
249.09221	1.1
253.05165	0.7
253.09230	0.9
263.10748	1.7
268.11063	2.7
269.11600	0.9
277.12378	1.7
283.13409	0.9
337.07132	2.4
337.14548	1.1
356.12671	0.5
381.13818	0.6
389.21188	1.3
407.22269	21.0
408.22681	2.5
425.23505	5.5
426.23938	0.9
433.20169	1.9
438.63577	0.6
447.10764	1.6
451.21268	30.8
452.21509	4.6
608.43591	0.6
643.26953	1.7
643.37042	3.3
644.36743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35364	0.6
55.41780	0.7
57.03316	2.6
57.03693	0.6
59.01241	3.0
60.31976	0.8
60.99170	4.0
67.01761	13.8
69.03323	4.5
69.03643	0.7
69.23243	3.7
69.23670	4.5
71.01246	6.2
81.03323	3.2
83.04893	2.1
85.02817	9.7
87.00749	18.3
87.01276	1.3
93.03335	90.6
94.03668	1.7
99.00746	1.0
99.04383	1.0
107.04942	0.8
109.02826	1.5
111.04391	10.7
119.08527	1.2
120.08832	0.9
124.01608	1.1
125.02188	0.7
125.09606	0.7
127.03925	1.9
129.01828	2.4
130.35880	0.8
132.02054	1.3
133.02864	2.0
134.03639	7.5
135.04411	45.2
137.02312	2.7
137.09616	5.1
138.09943	1.6
151.03891	2.2
155.03424	3.2
160.01581	1.9
161.02327	3.4
171.10152	8.3
172.10521	3.4
173.04468	48.2
174.04803	1.8
178.02612	2.3
178.80466	0.7
179.03415	15.3
180.22314	0.8
183.15466	0.8
191.05539	100.0
192.05850	3.2
193.08383	18.5
194.08768	8.4
195.08914	0.8
226.57573	0.7
244.36241	0.8
274.82721	0.7
291.19724	1.5
307.08371	1.0
308.08969	4.3
309.20703	1.4
310.20975	2.5
332.19138	0.9
352.07944	2.9
353.08493	2.4
383.33365	0.8
398.12009	0.8
407.22314	5.5
425.23370	2.7
426.23169	0.7
451.21268	5.5
469.22305	2.2
470.11737	0.7
485.04074	0.7
642.40326	1.0
643.27582	54.7
644.27899	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
59.01243	1.9
60.99178	3.8
63.65880	0.7
67.01760	15.5
69.03328	3.1
69.58930	6.1
71.01259	4.8
71.07681	0.9
74.25390	0.8
81.03334	3.3
83.04903	2.1
85.02809	3.4
87.00752	16.0
93.03336	100.0
94.03671	2.6
99.00760	1.9
99.04385	1.1
101.02392	1.1
109.02848	1.8
111.04404	13.2
111.10993	0.8
113.02307	1.3
115.03920	0.8
127.03848	1.0
127.30883	0.8
129.01802	2.1
131.76321	0.9
133.02850	1.7
134.03622	13.3
135.04419	23.3
137.02357	2.7
155.03377	4.4
161.02310	2.2
173.04478	76.0
174.04764	2.3
178.02605	1.1
179.03368	3.1
184.48981	0.9
191.05544	31.5
202.47374	0.9
205.95198	1.0
256.48688	0.7
276.70959	0.8
291.19717	11.3
313.79089	0.7
407.22318	4.9
425.23175	4.7
451.21259	6.0
469.21704	1.1
574.74609	0.9
643.27509	46.4
644.28064	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96850	0.7
57.03324	1.8
59.01241	1.4
60.99171	5.5
64.14030	0.6
64.36687	0.6
65.03843	1.1
67.01762	16.1
68.02123	0.7
69.03332	4.0
69.03639	0.6
70.63349	2.3
71.01252	4.8
81.03326	2.6
83.04881	2.4
85.02822	1.9
87.00752	17.2
93.03333	100.0
94.03671	2.1
96.95876	0.7
99.00752	2.0
99.04392	0.9
101.02381	0.9
109.02847	1.0
111.04391	13.7
115.03880	0.8
129.01791	2.3
133.02826	1.8
134.03632	12.8
135.04422	7.9
137.02324	2.6
154.50348	0.7
155.03383	4.0
171.10159	1.3
173.04465	55.7
174.04793	1.5
177.01807	0.8
178.02614	2.6
179.03319	0.9
191.05536	16.1
222.08652	3.9
223.09151	1.1
236.10268	1.2
273.24402	0.7
291.19656	9.3
292.20306	0.9
309.20651	5.8
310.20963	2.2
311.22021	2.6
313.17657	0.8
331.18939	8.7
332.19189	3.1
333.19586	0.8
352.12250	0.7
407.22327	1.4
425.23218	3.1
451.21152	3.9
452.21194	0.8
469.22150	1.8
548.31610	0.8
643.27570	57.0
644.27740	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50641	0.8
58.00452	0.8
59.01252	17.5
61.98684	0.9
69.03323	1.1
71.01249	12.5
71.06991	1.6
71.18279	0.7
72.99189	1.4
73.02819	1.7
80.96402	0.9
81.03323	2.3
83.01246	1.5
85.02825	6.7
87.00778	1.1
88.22153	1.0
89.02304	6.2
93.03334	3.8
95.01260	4.4
96.95872	1.8
97.02852	1.3
99.00741	1.5
101.02332	6.8
107.01257	1.8
107.04934	0.9
108.02054	63.8
109.02851	41.3
111.00755	1.9
113.02312	3.8
113.40573	1.0
119.03356	2.1
121.02827	3.5
122.03618	1.2
123.00753	2.1
123.04414	2.1
125.02303	2.4
133.02866	1.4
135.04414	5.7
136.07599	0.9
137.02295	2.5
149.02367	1.0
151.00270	7.5
151.03883	1.6
152.01054	65.8
153.01849	31.0
161.02313	2.8
161.04425	1.6
163.03951	1.1
165.01826	3.0
173.04468	3.1
177.01775	2.7
178.99760	3.8
179.03444	1.1
183.10095	1.5
189.03943	0.9
191.05540	10.6
195.06418	1.4
231.13927	1.2
243.02934	2.5
255.02940	8.2
256.03458	1.0
257.11734	1.1
271.02478	15.0
272.02841	2.5
299.01779	1.0
300.02740	26.8
301.03510	23.7
302.03781	1.7
315.07309	1.3
327.10031	1.2
345.15466	2.1
451.16052	1.1
463.08868	28.3
464.08884	3.1
481.07745	4.2
643.22369	100.0
644.22815	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.4
55.18625	0.7
57.03322	6.9
59.01253	6.4
65.92278	0.8
67.01759	0.9
68.99679	1.5
69.03321	6.3
71.01254	19.6
71.57127	1.2
72.99189	2.2
73.02821	9.9
78.95784	2.7
81.03352	1.0
81.16306	0.8
83.01276	4.8
84.02056	1.0
85.02824	55.0
86.03162	1.4
87.00753	95.0
88.01119	1.5
95.01262	8.6
96.76997	0.7
96.96851	2.9
97.02831	24.5
99.00786	1.1
99.04396	1.2
101.02325	1.2
103.03895	11.3
109.02825	2.0
111.00749	2.4
113.02332	48.1
115.00259	11.1
115.03884	1.0
125.02304	1.6
129.01826	2.2
139.00298	2.5
145.05028	1.1
157.01350	12.3
164.01286	1.0
173.04485	2.7
175.02402	100.0
176.02731	2.7
182.80820	0.7
184.12569	0.7
217.03487	30.3
218.03760	1.0
303.07208	39.6
304.07501	3.2
321.08243	15.2
322.08475	1.7
381.10287	2.3
437.09180	1.0
479.10397	15.9
480.10797	1.2
495.13544	0.8
497.11655	2.6
539.12543	27.7
540.12787	3.0
548.87952	0.7
625.16168	14.3
626.16534	2.6
643.17273	40.5
644.17645	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.9
65.03835	2.2
71.01250	6.2
71.35370	1.7
72.67470	0.7
72.99197	1.6
73.02826	1.0
75.00748	2.1
83.01247	1.1
83.04891	1.1
85.02834	3.9
87.00752	23.8
89.02325	4.1
93.03337	92.4
94.03697	1.8
95.01286	1.5
96.95880	2.1
99.00804	1.9
101.02290	4.1
107.04912	12.9
108.02037	1.5
109.02839	2.1
111.04403	4.1
113.02342	4.1
117.03328	5.7
119.03464	2.7
119.04919	100.0
120.05274	3.7
121.02837	11.6
133.02856	0.8
133.06471	0.7
135.04433	7.3
137.02347	92.3
138.02664	4.0
145.02861	14.9
147.04439	8.7
149.02318	3.9
151.03900	1.2
152.01068	1.4
155.03406	15.4
161.02348	1.5
161.06044	0.8
163.03922	67.5
164.04294	2.3
164.14005	0.7
165.05405	1.0
167.03442	0.8
173.04494	0.9
179.01872	1.1
179.03427	20.6
179.05293	1.1
179.05589	1.1
180.03741	1.0
189.05550	1.1
191.03429	7.5
191.05508	4.1
197.04507	2.1
201.11281	1.6
209.04553	3.7
209.11769	3.2
263.05634	1.2
281.06622	1.8
299.07748	9.4
317.08817	16.4
318.09018	1.3
325.09207	0.9
397.13406	1.2
415.14700	1.4
427.68335	0.8
481.13513	45.5
482.13986	5.4
523.14514	1.3
643.18695	18.2
644.19183	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31124	0.4
59.01245	0.4
64.66712	0.4
66.80333	0.4
69.03333	0.5
69.23752	3.3
69.24177	1.9
71.01250	9.8
71.01617	0.8
81.41453	0.4
85.02834	0.5
96.54232	0.5
99.70721	0.4
115.47283	0.4
119.64263	0.4
123.08040	0.5
125.09594	1.6
125.99228	2.3
127.07506	0.7
135.04420	0.4
137.09550	0.6
141.09106	4.9
153.09218	0.6
155.10733	0.5
165.01607	4.8
165.09009	1.1
167.10619	0.5
171.10214	0.9
181.08342	2.7
183.09879	2.3
193.04718	0.6
193.08383	10.1
194.08815	0.7
199.09601	0.8
200.10419	0.8
201.11212	1.0
207.09967	0.6
209.07890	4.6
221.07887	3.0
222.08684	71.2
223.09444	36.0
224.09802	1.9
225.07391	1.4
227.09056	2.0
232.73697	0.4
237.10924	0.6
247.20596	0.7
254.07671	6.7
262.11847	1.2
291.19769	1.4
301.17911	0.8
303.19449	1.8
309.20715	8.9
310.21091	0.8
313.17880	1.9
331.18900	100.0
332.19263	9.5
375.17709	0.8
376.18625	0.6
378.63345	0.4
463.21786	0.5
485.73947	0.5
510.35831	0.5
520.34943	0.5
532.28687	3.0
533.29333	0.6
641.38989	1.6
644.98480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97911	0.8
57.03317	2.4
59.01242	4.0
66.02208	0.8
69.03345	1.5
70.31781	0.9
70.91510	1.7
70.91872	2.1
71.01253	1.4
71.04892	10.5
93.03329	3.2
93.06968	1.0
95.04911	1.3
96.95880	2.0
97.06456	4.2
106.06577	0.9
107.04924	2.4
107.37041	1.0
109.02832	1.5
118.70943	1.0
119.08569	0.9
121.10112	6.1
122.06009	5.3
123.04370	2.0
123.08078	1.5
125.09595	6.8
133.06461	1.3
134.06023	1.9
135.04359	1.3
135.08124	1.0
136.05179	1.0
137.02357	6.7
137.09625	10.1
147.08044	4.3
151.03870	1.4
152.07060	5.6
156.54660	0.9
163.11302	0.9
163.25143	0.9
171.10176	22.0
172.10466	1.0
185.11746	8.7
191.05528	3.0
193.08380	1.5
197.11693	2.4
207.09969	5.5
207.13878	1.6
209.11737	1.4
211.13327	1.6
213.10275	3.3
219.13864	1.4
227.17950	1.2
235.16910	1.9
237.14980	1.5
239.11880	2.6
241.13394	2.4
243.17461	1.3
245.19063	6.6
246.19687	1.2
251.16551	19.3
252.16827	1.3
255.13762	2.1
273.18478	1.2
283.13022	1.0
284.13901	1.2
285.12527	9.0
286.13052	1.0
291.19659	35.2
292.19995	2.7
293.13016	1.4
295.10965	1.5
295.16727	1.4
309.20703	80.1
310.21024	5.4
311.16370	1.5
313.17850	100.0
314.18234	8.0
323.10074	1.9
331.18909	20.2
332.19125	2.0
358.15756	2.3
368.12463	0.8
375.17776	4.8
479.33752	2.1
489.11920	1.8
523.23907	1.8
524.23871	1.2
565.24359	8.8
566.24921	3.1
609.23419	9.1
610.23193	2.0
641.16840	2.7
641.40393	49.7
642.40485	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
67.01752	1.6
69.03325	9.1
69.78123	1.5
69.78520	4.4
74.79525	0.7
79.01732	1.0
80.44543	0.7
83.04889	1.9
85.02818	2.3
95.04908	1.6
97.02829	72.2
97.06442	4.3
98.03179	1.5
98.20508	1.7
111.08027	2.4
119.08540	2.5
125.09608	2.7
127.34193	0.7
135.04301	0.9
135.08022	1.3
137.09628	21.1
139.11086	1.0
158.47609	0.9
163.11185	1.0
165.08919	1.3
165.12708	2.7
167.10637	0.9
171.10179	23.2
172.10435	0.9
177.12749	1.2
179.10481	1.5
185.11757	1.0
193.08403	23.1
193.12105	1.5
194.08641	1.9
195.13864	1.5
207.09973	11.6
207.74519	0.8
211.13396	4.3
211.15105	1.0
215.10475	2.2
220.10452	0.8
221.11852	3.7
231.09909	0.8
233.11545	13.2
239.12837	3.3
240.13564	1.2
247.20641	1.0
248.10223	1.4
261.11032	6.2
273.18591	2.3
287.16348	6.3
291.19653	11.5
294.10803	2.2
295.16779	1.5
301.17715	1.2
309.20700	100.0
310.21024	9.7
313.14432	1.2
313.17871	15.5
314.17990	1.4
331.18878	28.6
332.19229	2.8
375.17889	2.8
399.04971	0.9
416.29977	1.0
463.45135	0.8
577.46838	0.9
641.40558	13.0
642.40546	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.9
59.01250	1.8
59.30344	1.1
69.03328	4.2
70.91542	2.1
71.04916	1.1
93.03355	2.1
97.06471	1.2
119.08572	11.4
121.10111	3.1
125.09617	3.9
127.11195	2.7
135.08066	2.0
137.09641	14.1
139.11203	4.8
153.09036	1.3
155.10684	2.9
167.10649	2.7
171.10176	47.0
172.10576	1.8
175.07343	1.3
179.10408	3.1
183.00870	1.1
183.10228	2.1
185.11728	12.8
188.73172	1.1
193.08363	8.0
201.11261	3.2
207.09964	88.9
208.10341	4.2
213.11264	4.5
223.09491	1.5
227.18027	2.7
229.19557	1.7
245.19095	5.3
273.18613	5.0
291.19672	13.2
295.16846	4.5
309.20709	100.0
310.21024	9.1
313.17844	77.5
314.14883	1.0
314.18259	7.3
331.18918	1.3
342.67496	1.3
641.40204	8.8
642.40009	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46585	1.3
53.67968	1.4
57.03327	4.6
59.01251	18.1
59.09767	1.0
65.27285	1.2
70.18770	1.2
71.01252	5.8
71.04902	10.8
71.58717	1.3
73.02818	1.7
78.95790	1.7
81.03323	1.7
83.04922	1.4
85.02830	2.5
89.02325	2.4
93.03356	5.2
93.71954	1.3
94.97980	2.4
95.04923	1.5
96.88011	1.2
96.95895	3.2
97.06478	4.6
101.02328	3.1
103.67152	1.2
104.49184	1.3
105.07716	1.2
107.04936	4.2
109.02865	3.6
113.02357	1.6
119.04927	2.4
119.08619	1.4
121.02874	2.9
121.10132	7.3
123.04383	7.6
123.08109	2.1
125.02360	2.2
125.09621	8.3
133.06493	1.5
134.06027	1.2
135.00876	1.3
135.04463	4.1
137.02357	12.0
137.09593	10.9
139.11255	1.9
147.08067	3.7
151.03867	2.9
153.01912	2.1
154.93616	1.2
161.02356	1.7
161.04457	1.5
171.10178	24.5
173.04468	2.1
175.03970	1.7
185.11777	8.8
191.05531	9.1
191.08208	3.9
191.20212	1.2
193.08325	1.7
195.10210	1.5
197.11775	2.9
207.10042	4.8
209.11937	2.1
211.13312	3.0
217.15964	2.4
219.13925	2.0
219.87035	1.6
223.13408	1.4
225.11342	2.1
227.18042	1.9
233.15590	1.5
235.17093	1.9
237.14972	1.6
245.19072	7.7
251.16516	23.9
252.16885	2.1
255.13669	1.9
283.13177	1.4
284.13974	3.5
291.19681	37.5
292.20142	2.8
295.16852	2.1
309.20715	81.7
310.21045	8.6
313.17838	100.0
314.18234	8.0
329.17325	1.5
331.18918	19.7
332.19293	1.6
347.36786	1.5
351.08768	2.1
359.78986	1.5
361.53482	1.5
375.17975	5.6
377.78922	1.4
489.12228	5.4
641.17340	3.7
641.40497	53.0
642.40936	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32161	4.1
57.03334	5.6
59.01252	100.0
61.98700	4.7
71.01254	29.6
71.58452	6.2
71.58846	4.6
73.02821	11.0
73.86944	3.9
78.95809	5.1
83.01226	6.0
85.02834	17.6
87.00753	7.3
89.02321	11.4
90.94492	4.9
93.03328	8.2
96.95876	8.7
101.02333	18.5
109.02850	11.1
111.04331	5.6
113.02325	12.4
116.92735	8.9
121.02858	19.3
123.04397	13.2
125.02386	5.3
127.39927	4.3
135.04407	20.2
137.02356	13.3
137.06032	4.5
140.70802	4.5
151.03888	6.8
161.11703	4.3
173.04480	11.8
179.03435	6.7
191.05537	32.2
195.02972	4.1
211.13353	6.1
241.05103	4.9
255.03050	7.2
271.02536	5.3
283.02444	18.3
285.12518	9.3
299.02173	8.6
307.17612	5.6
325.20209	13.4
609.23077	7.0
641.25281	4.3
641.35333	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82866	0.3
51.37616	0.3
54.83970	0.3
57.03319	0.3
59.01257	0.4
66.59515	0.2
69.03330	4.2
69.27731	2.8
71.01258	0.3
81.48919	0.2
83.04896	0.7
93.03360	0.4
95.04896	0.3
97.06507	0.3
107.08565	0.3
108.05693	1.1
119.08545	4.0
123.08107	0.4
125.09618	3.8
127.11172	1.0
135.08064	1.0
137.09624	26.1
138.09982	1.3
153.09090	0.3
155.10756	0.3
165.08928	2.7
167.10446	0.6
171.10184	30.6
172.10493	1.3
191.06940	1.2
193.08394	100.0
194.08742	4.7
201.11229	1.3
209.07877	1.7
211.13342	6.2
212.13742	0.4
222.08577	0.3
273.18631	0.6
274.81476	0.3
291.19742	1.7
292.20132	0.3
309.20718	19.2
310.21014	1.9
331.18918	9.6
332.19244	1.1
365.18143	0.5
503.29166	0.3
641.40063	7.1
642.40472	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	4.2
59.01255	50.3
60.99186	3.2
69.29218	22.5
69.29627	6.0
70.34904	2.5
71.01254	48.6
71.28082	2.5
72.99184	63.1
73.02815	3.1
75.00748	10.6
83.01257	4.2
85.02834	9.6
86.31296	2.8
87.00755	6.7
88.98683	28.0
89.02320	52.5
90.01852	11.5
90.99087	4.0
91.00245	100.0
93.03340	6.5
95.01262	6.8
96.95894	2.9
97.02843	2.9
97.47536	2.6
98.20568	5.4
99.04397	64.2
101.02325	30.1
108.02061	4.6
109.02827	10.0
109.99966	3.6
111.00742	3.0
113.02332	22.2
119.03378	21.3
121.02836	7.6
123.00816	5.8
125.02319	10.3
129.28522	3.2
135.04373	5.2
137.02353	28.1
137.20125	2.9
139.00278	8.3
139.03909	4.5
143.03397	16.2
151.00284	12.5
152.01103	4.1
153.01840	7.5
155.03442	3.0
159.02875	3.1
161.04471	10.6
163.00304	2.8
165.98981	5.4
166.99754	6.0
175.00316	7.1
178.99814	8.0
179.03342	3.3
179.05528	10.7
181.94183	2.9
191.05594	6.6
193.01453	2.7
199.03908	3.4
215.03377	3.4
221.11636	3.2
227.03445	6.4
231.02954	5.9
243.02921	7.6
254.02367	3.5
259.02463	5.6
270.01788	5.8
271.02469	29.4
272.02911	3.9
287.01987	42.1
287.76926	2.9
288.02435	7.9
298.01035	3.3
299.01913	12.3
312.02655	2.9
315.01474	71.6
316.02136	39.8
317.03000	46.7
318.03500	6.9
323.09790	4.3
433.07932	3.5
461.07175	25.2
478.07581	20.2
479.08163	56.0
480.08560	10.7
505.10089	4.0
549.25562	9.9
550.26196	3.8
613.77960	3.2
623.12311	2.8
641.13538	66.8
642.13989	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.6
59.01252	15.2
69.86233	5.6
71.01257	5.1
71.04897	12.6
73.02813	1.6
80.04929	6.8
81.03329	2.2
85.02813	1.7
86.18814	1.0
87.00772	1.1
93.03334	2.9
94.06490	1.8
96.95893	1.5
97.06483	3.4
104.04934	2.3
106.06530	2.5
107.03689	4.8
107.04906	1.6
109.02853	3.4
109.06485	1.2
113.02277	1.2
119.04919	1.3
119.08549	1.9
120.04430	2.4
120.08085	1.9
121.02868	1.9
121.05264	2.5
121.06519	1.1
121.10133	4.6
122.06014	35.9
123.04388	5.7
123.06361	1.3
123.08064	1.4
124.07628	1.3
125.02303	1.6
125.09592	6.2
132.04417	3.1
134.06038	11.3
135.00844	1.2
135.04422	1.9
136.05190	1.3
137.02332	16.3
137.09642	9.5
147.08067	2.7
148.03989	2.1
150.05508	1.5
151.03918	3.4
152.07080	42.4
153.07468	2.2
159.04372	1.3
160.04001	1.6
160.06325	6.1
161.04678	2.0
171.10188	21.8
173.04594	2.3
174.05473	5.0
185.11752	8.2
186.05573	1.4
190.05070	2.4
191.05518	4.8
191.08247	2.0
193.08466	1.6
197.11682	1.8
198.12811	1.2
207.09978	4.4
207.13931	1.6
209.11818	1.1
213.10283	25.8
214.10654	2.8
217.15962	1.8
219.13861	1.3
223.08800	1.5
223.13560	1.0
224.09346	1.1
225.10240	1.6
226.11087	3.2
227.17889	1.7
237.10416	2.7
239.11874	15.4
240.12233	2.4
241.13504	14.2
242.13730	1.1
243.17566	1.2
245.13033	6.6
245.19150	7.2
246.13387	1.2
247.20496	1.8
249.06624	1.7
250.07213	1.5
251.12160	2.0
251.16513	21.4
255.13637	2.0
263.08218	1.2
265.09811	3.2
267.11383	1.5
273.18686	2.0
283.13269	1.8
284.14008	2.7
285.12466	58.3
286.12900	4.6
291.19672	34.2
292.19977	1.6
293.12762	7.4
294.13464	2.0
295.10867	5.1
295.16864	1.5
301.12122	1.4
309.20718	79.4
310.21149	5.6
311.16626	1.2
313.11981	4.0
313.17856	100.0
314.18192	4.1
316.14566	2.2
323.10339	10.8
324.10849	1.8
325.11887	3.5
327.10458	1.1
328.10876	3.9
328.14432	1.4
331.18912	20.6
339.09637	2.2
340.14331	1.3
341.11584	1.2
342.12546	2.7
343.13181	4.0
344.14050	2.1
355.12961	5.7
356.17609	1.4
357.14856	3.4
358.15546	18.1
359.16010	2.7
370.11722	1.9
375.17896	4.6
384.13495	5.6
400.16599	12.6
401.17142	2.0
412.16522	5.2
479.33807	1.2
489.11868	4.5
490.12769	1.3
497.25433	2.6
509.22360	1.9
521.25592	2.1
523.23413	12.4
524.23804	3.6
541.24396	1.5
565.24524	70.8
566.24799	13.4
568.23285	1.9
609.23499	63.9
610.23743	14.3
641.16669	4.4
641.26385	9.1
641.40277	53.2
642.17035	1.3
642.26697	2.2
642.40466	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	4.2
59.39418	0.9
61.98699	2.8
65.00203	1.7
65.03838	7.4
67.01752	3.4
67.25429	0.8
69.32697	4.2
69.33126	4.3
71.01261	2.3
77.03841	0.9
91.01773	4.2
91.05396	1.4
93.03326	7.4
96.95866	5.1
96.96851	1.0
101.02357	0.8
108.02044	2.0
109.02834	48.4
113.02268	0.9
120.29250	0.9
121.02839	86.2
122.03197	1.7
123.04411	3.0
131.04942	1.4
135.00789	5.3
135.04431	5.7
137.02339	86.0
138.02698	1.7
139.03929	2.0
147.04517	1.1
149.02286	1.3
151.03909	1.5
153.01874	5.3
157.06387	1.1
158.03603	1.0
159.04434	5.3
161.02341	2.4
161.05997	1.8
163.00278	2.0
163.03873	4.4
173.04482	1.0
175.03885	2.3
175.07558	3.3
183.04465	2.0
185.05946	2.7
187.03960	7.5
191.03616	0.8
191.05574	5.1
201.05478	2.5
211.03972	10.8
211.13327	3.2
225.05496	10.4
227.03557	2.0
227.07083	11.7
229.05032	8.0
237.05548	2.9
239.06946	1.0
241.04979	1.0
251.07176	1.2
253.05067	2.7
255.02939	1.0
267.06778	1.0
269.08228	2.3
273.04086	14.6
273.09094	1.1
274.04312	1.0
277.08640	1.1
277.57361	0.9
279.06522	1.4
281.04517	2.6
282.05167	1.0
287.07123	2.3
291.10190	1.3
295.06161	2.0
299.01968	1.7
301.08661	4.6
303.06689	2.5
303.10229	7.6
303.62357	0.9
304.10776	1.1
317.08170	2.9
319.09683	5.4
321.07617	1.0
329.08398	1.1
331.06058	4.9
332.06870	1.9
335.09094	2.5
345.07776	6.1
347.09225	30.8
348.09637	3.1
363.08679	2.6
373.06882	1.1
373.98636	0.9
379.08209	1.6
391.08228	39.0
392.08569	4.2
413.13748	2.3
457.13037	4.5
483.10757	2.9
489.11780	2.0
501.11880	100.0
502.12238	14.4
513.11914	1.4
593.14337	2.3
605.14270	1.8
611.15399	7.3
612.15820	1.8
623.15546	21.9
624.15857	3.9
625.33966	1.0
641.16406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.1
56.05855	1.1
59.01257	10.5
59.50380	1.1
61.98695	2.1
63.02260	1.6
65.03857	3.0
67.01755	4.1
69.03316	2.5
71.01256	3.8
71.07346	3.1
78.73053	1.1
78.95775	4.0
79.05408	6.8
79.95600	2.9
81.03295	1.5
83.01247	2.5
85.02821	1.8
89.02295	1.9
91.05381	2.3
93.03331	2.9
95.01269	1.8
95.04919	1.3
96.95888	54.1
96.96856	5.1
97.02815	2.6
101.02357	1.8
101.86744	1.1
105.03349	3.0
107.01270	1.8
107.04929	3.6
108.02053	2.8
109.02834	30.1
110.03237	1.4
113.02294	1.3
117.43215	1.4
118.26546	1.2
121.02854	7.0
122.06065	1.6
123.00780	11.4
123.04411	91.5
124.01556	24.1
124.04736	2.3
125.02344	36.6
131.04935	3.6
133.02841	3.4
133.06471	1.2
135.04428	14.1
137.02362	2.3
147.04378	2.4
148.01518	1.7
149.02274	5.9
149.05989	2.0
151.03914	50.0
152.07042	1.5
153.01837	4.9
158.03532	1.1
159.04465	2.8
161.02341	9.3
163.03972	2.0
165.05470	8.0
171.04262	1.7
173.06012	4.4
174.03139	2.4
175.03947	9.4
175.07542	4.1
177.01888	6.0
177.64563	1.3
179.03337	1.3
181.06587	1.7
183.08102	2.1
185.05937	1.5
187.03902	1.7
188.04709	3.0
189.05507	2.2
191.05504	7.4
191.07007	1.6
193.04970	5.0
195.02885	4.5
197.11800	1.9
199.03938	7.0
201.05478	1.9
211.03925	15.7
211.13290	7.7
212.04321	1.7
213.01823	3.5
213.05597	1.9
215.03455	4.0
215.06920	1.5
217.04974	4.9
219.06590	1.4
225.05496	12.1
227.03499	3.0
227.07079	49.7
228.07414	2.3
229.05009	21.5
239.07156	1.8
241.05032	2.2
241.08650	1.4
243.02994	2.7
253.05035	2.1
258.05292	7.1
261.03967	16.6
269.04559	2.4
271.06067	2.5
281.04660	1.4
281.08194	2.7
283.06149	1.5
285.12485	1.9
287.05551	1.7
291.10376	1.7
295.05780	1.3
307.09717	1.6
313.03516	4.5
315.56961	1.4
325.07474	1.5
327.05185	1.5
333.07739	2.9
335.09268	6.7
377.06531	1.8
379.08215	100.0
380.08316	10.5
423.21848	2.0
434.09924	1.3
447.22830	1.4
471.10776	6.9
479.33829	1.8
489.11896	92.9
490.12323	15.4
513.11853	2.1
523.23334	1.6
531.13025	2.8
565.21857	1.7
581.37598	1.8
609.23187	2.1
623.15631	12.0
624.15387	3.0
641.16370	18.6
641.25250	1.7
641.38312	2.2
642.17200	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	29.7
69.41269	19.3
69.41674	84.6
70.24939	10.3
71.01237	16.0
75.00748	41.6
82.62767	10.6
85.02838	14.6
87.00752	10.9
93.03350	26.4
96.95884	35.9
108.02052	16.9
109.02818	26.4
111.00764	20.6
111.62614	11.7
125.02314	24.4
128.75748	10.1
137.02327	29.2
137.05981	13.4
139.00267	32.1
151.00183	24.4
151.03893	16.4
152.01054	23.6
153.01836	36.9
165.01845	11.6
165.98965	11.2
166.99791	13.5
177.03297	25.3
178.99757	24.2
191.05528	91.6
206.99405	17.2
225.11142	18.2
241.05154	24.3
247.09221	11.6
255.02748	13.1
255.06560	15.2
266.39365	12.2
271.02582	55.6
271.05228	9.8
283.02734	14.3
285.03970	18.5
287.01981	48.3
298.00674	11.6
299.01892	48.2
299.05200	19.4
300.02304	11.7
315.01410	83.5
316.02228	29.9
317.03149	22.2
317.06729	33.7
350.06390	12.0
379.19635	13.3
424.63892	12.5
461.07373	57.5
478.07462	31.7
479.08133	47.9
479.13101	18.0
641.13550	100.0
642.13995	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70535	2.3
59.01249	18.6
63.02266	2.9
65.00198	6.5
69.46340	4.9
69.46762	11.0
71.01245	8.3
72.99181	2.1
74.98693	1.7
83.01241	5.4
85.02815	2.5
89.02316	9.1
93.03330	1.9
95.01270	4.5
98.20551	2.1
101.02296	7.2
106.00489	3.0
107.01251	7.0
109.02810	10.8
111.00776	5.3
113.02331	5.0
119.03352	5.6
119.04913	1.7
121.02851	3.2
123.00746	6.2
124.01572	2.7
124.98642	2.1
125.02341	4.4
133.02859	2.7
135.04414	23.8
136.04709	5.0
137.02353	5.6
139.00243	6.5
140.01082	2.2
141.01855	2.3
143.04880	4.1
147.04337	2.1
148.01578	3.4
149.02324	3.4
149.99532	4.0
151.00287	23.1
152.01103	4.1
153.01845	5.8
153.05446	5.3
154.99733	3.1
159.04427	5.3
161.02310	6.8
161.06010	3.6
163.00284	2.8
163.03972	3.2
164.98297	1.9
165.01886	1.8
166.99774	2.5
168.00459	3.1
169.01305	3.3
171.04456	4.2
173.02359	2.3
175.03867	5.3
177.01860	2.6
177.05457	4.0
177.98972	5.5
178.99777	26.0
179.03459	2.9
181.98494	2.1
187.03928	7.2
189.01903	4.9
191.03535	2.7
191.05515	10.6
192.00629	2.3
193.01273	5.0
194.99284	3.3
199.03833	5.7
201.01816	3.2
203.03415	7.8
205.01364	2.7
205.04900	1.9
206.99226	3.6
209.00801	2.9
214.02692	2.5
215.03389	6.4
217.01338	2.9
219.02843	3.4
227.03497	2.9
229.01321	4.7
231.03009	8.5
232.03598	5.8
233.04625	8.9
241.01595	2.7
243.02956	16.9
245.04431	3.7
255.03044	2.7
257.00815	2.2
258.01553	2.1
259.02496	9.9
260.03220	1.9
261.00339	2.3
261.03915	3.9
269.00778	2.1
271.02484	31.8
271.09720	3.9
272.02890	3.6
275.02005	2.5
281.06699	4.1
286.01083	4.5
287.01971	41.2
288.02640	9.8
289.03470	6.3
297.00421	5.6
299.02039	15.3
300.02728	8.7
301.03537	10.8
314.00732	3.2
315.01465	100.0
316.01981	10.6
317.02795	3.4
317.10690	2.5
332.01620	8.4
333.02362	6.6
335.79028	1.8
346.49411	1.9
479.15591	6.8
489.12357	2.3
501.11771	2.2
529.12207	2.4
541.15979	2.8
542.81091	2.2
597.15045	4.4
623.12256	9.4
624.12878	2.6
641.13440	32.9
641.24567	3.0
642.13812	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76788	2.0
58.05140	1.8
58.15555	1.8
59.01257	14.7
59.12350	1.9
65.00208	3.7
69.23965	2.1
71.01248	12.1
71.14742	4.4
72.99183	16.3
75.00732	2.0
85.02859	3.1
85.07478	2.0
86.59515	2.0
87.00769	2.0
88.98669	5.2
89.02322	15.8
90.01845	6.2
91.00246	23.8
93.03281	2.2
95.01204	2.2
99.04401	43.9
101.02348	10.0
107.01268	3.6
109.02828	9.7
109.99942	2.9
111.00756	4.4
113.02307	6.0
119.03370	8.0
121.02835	4.8
123.00775	4.2
125.02321	8.4
131.03401	2.3
137.02338	23.2
139.00298	10.4
139.03912	2.3
140.95244	2.5
143.03389	7.7
147.00757	2.3
149.02290	6.4
151.00241	13.8
152.01027	3.2
153.01859	5.3
163.00266	5.7
164.01172	2.3
164.98212	4.6
165.01788	2.3
165.98999	10.2
166.99777	4.6
171.04430	4.5
173.02357	2.2
173.85698	2.4
175.00247	8.4
178.99730	14.8
179.05495	4.6
187.03880	3.5
189.01903	2.5
191.05505	2.6
193.01295	3.0
194.99345	2.4
199.03920	5.7
201.01799	3.6
203.03337	3.8
210.61447	2.3
215.03447	6.8
227.03462	4.6
229.01230	2.6
231.02934	7.0
242.02211	3.2
243.02951	9.6
255.02992	4.8
259.02441	7.5
270.01675	6.3
271.02423	30.5
272.02798	2.9
287.01996	45.1
288.02310	4.6
298.01093	3.7
299.01846	12.9
300.02927	2.2
315.01474	76.6
316.02155	42.6
317.03003	54.4
318.03275	5.2
323.10107	3.3
461.07208	45.3
462.07596	7.3
478.07629	30.4
479.08237	88.7
480.08652	10.1
521.09869	2.5
549.25519	3.3
584.40594	2.6
641.13574	100.0
642.13873	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70535	2.3
59.01249	18.6
63.02266	2.9
65.00198	6.5
69.46340	4.9
69.46762	11.0
71.01245	8.3
72.99181	2.1
74.98693	1.7
83.01241	5.4
85.02815	2.5
89.02316	9.1
93.03330	1.9
95.01270	4.5
98.20551	2.1
101.02296	7.2
106.00489	3.0
107.01251	7.0
109.02810	10.8
111.00776	5.3
113.02331	5.0
119.03352	5.6
119.04913	1.7
121.02851	3.2
123.00746	6.2
124.01572	2.7
124.98642	2.1
125.02341	4.4
133.02859	2.7
135.04414	23.8
136.04709	5.0
137.02353	5.6
139.00243	6.5
140.01082	2.2
141.01855	2.3
143.04880	4.1
147.04337	2.1
148.01578	3.4
149.02324	3.4
149.99532	4.0
151.00287	23.1
152.01103	4.1
153.01845	5.8
153.05446	5.3
154.99733	3.1
159.04427	5.3
161.02310	6.8
161.06010	3.6
163.00284	2.8
163.03972	3.2
164.98297	1.9
165.01886	1.8
166.99774	2.5
168.00459	3.1
169.01305	3.3
171.04456	4.2
173.02359	2.3
175.03867	5.3
177.01860	2.6
177.05457	4.0
177.98972	5.5
178.99777	26.0
179.03459	2.9
181.98494	2.1
187.03928	7.2
189.01903	4.9
191.03535	2.7
191.05515	10.6
192.00629	2.3
193.01273	5.0
194.99284	3.3
199.03833	5.7
201.01816	3.2
203.03415	7.8
205.01364	2.7
205.04900	1.9
206.99226	3.6
209.00801	2.9
214.02692	2.5
215.03389	6.4
217.01338	2.9
219.02843	3.4
227.03497	2.9
229.01321	4.7
231.03009	8.5
232.03598	5.8
233.04625	8.9
241.01595	2.7
243.02956	16.9
245.04431	3.7
255.03044	2.7
257.00815	2.2
258.01553	2.1
259.02496	9.9
260.03220	1.9
261.00339	2.3
261.03915	3.9
269.00778	2.1
271.02484	31.8
271.09720	3.9
272.02890	3.6
275.02005	2.5
281.06699	4.1
286.01083	4.5
287.01971	41.2
288.02640	9.8
289.03470	6.3
297.00421	5.6
299.02039	15.3
300.02728	8.7
301.03537	10.8
314.00732	3.2
315.01465	100.0
316.01981	10.6
317.02795	3.4
317.10690	2.5
332.01620	8.4
333.02362	6.6
335.79028	1.8
346.49411	1.9
479.15591	6.8
489.12357	2.3
501.11771	2.2
529.12207	2.4
541.15979	2.8
542.81091	2.2
597.15045	4.4
623.12256	9.4
624.12878	2.6
641.13440	32.9
641.24567	3.0
642.13812	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1362
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
57.03287	0.9
59.01234	4.4
65.00189	3.1
70.44464	1.1
71.01225	3.5
71.58033	1.7
77.67998	1.1
83.01273	1.3
85.02813	2.9
87.00722	1.9
89.02303	1.4
93.03316	3.1
95.01255	3.8
101.02320	3.2
104.93922	1.0
107.01266	3.5
108.02030	6.1
109.02834	9.1
109.99995	8.9
111.00756	6.1
121.02816	2.6
123.00739	3.8
123.04435	1.2
124.01546	3.7
125.02333	2.4
133.02826	1.3
135.04373	4.2
136.98697	2.4
137.02263	3.3
137.05968	2.2
137.99480	2.9
139.00282	10.6
146.03615	1.2
147.04385	1.5
148.01556	1.8
149.02351	2.0
151.00287	17.1
152.01073	13.3
153.01784	4.3
159.04454	2.0
161.02289	3.1
163.00252	2.2
163.03888	2.8
164.01025	2.9
165.97760	1.4
165.98988	11.9
166.99776	5.0
169.01283	1.3
171.04356	2.1
173.04436	2.4
174.03145	1.9
175.03943	2.5
178.99800	14.9
181.04924	3.0
183.04388	2.4
186.03113	1.3
187.03897	3.7
188.04541	1.5
189.01784	1.4
190.99498	1.0
191.05493	9.7
193.01283	1.1
194.99213	2.7
197.02412	1.6
198.03091	1.8
199.03889	5.6
201.01839	3.2
202.02525	1.2
203.03377	4.4
211.03905	1.5
213.01794	1.2
214.02728	4.9
215.03455	5.8
216.03877	1.1
219.02895	1.5
223.05980	1.4
226.02673	1.9
227.03438	7.7
228.03764	1.1
229.01347	2.4
230.02278	1.2
231.02829	4.1
232.03619	1.8
241.01370	1.7
242.02061	6.1
243.02948	11.9
244.03511	2.8
255.02948	6.9
259.02502	6.7
260.02975	1.8
270.01620	9.2
271.02466	51.6
272.03076	10.3
273.03989	2.5
281.06680	1.4
287.01941	21.9
288.02582	10.9
289.03192	1.6
298.01065	2.9
299.01953	61.7
300.02438	6.7
301.03424	2.3
305.94531	1.2
315.01535	7.6
316.02216	100.0
317.02835	27.4
318.03082	1.8
353.02905	1.4
461.06918	2.9
479.11685	3.3
597.14233	2.1
623.12256	3.8
641.13464	82.4
642.13721	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.2
56.33576	0.7
57.03331	4.9
58.00463	1.3
59.01252	100.0
59.22593	0.6
60.01592	0.9
61.61147	0.6
61.98721	0.9
67.01766	1.0
68.99698	1.1
69.03329	2.1
71.01255	55.6
71.58215	1.3
72.01597	0.9
72.99194	3.7
73.02821	16.4
74.98960	1.0
75.00758	1.3
78.95782	2.0
81.03331	0.9
81.36332	0.6
83.01265	11.8
83.04917	0.9
85.02824	27.9
85.99972	2.0
87.00741	7.0
89.02317	11.3
89.02831	1.0
93.03370	1.6
95.01268	5.5
96.45725	0.6
96.95880	1.2
97.02821	3.9
99.00756	6.6
99.04398	0.9
101.02326	37.9
108.02058	1.7
109.02824	2.1
111.00770	5.1
112.01558	1.8
113.02330	25.2
115.03938	1.1
116.92706	1.1
119.03376	3.2
121.02841	0.7
123.04453	0.7
124.01555	1.4
125.02337	8.1
129.01837	1.3
131.03404	0.7
133.02870	0.7
135.04413	3.2
137.02357	1.7
143.03442	5.7
149.49815	0.6
152.01045	1.1
153.01857	1.6
155.03465	0.6
159.02934	2.6
161.02347	0.9
161.04471	6.5
165.05475	0.8
173.04501	2.2
177.01883	1.0
179.03358	0.9
179.05501	1.4
181.05019	0.7
191.05542	5.2
209.11836	0.6
213.18619	1.3
249.21002	0.7
271.22839	0.8
273.24426	2.9
284.03049	0.7
364.03256	0.6
417.28598	5.5
418.28928	0.9
434.02661	0.9
435.03378	0.7
435.29651	16.0
436.29807	1.4
459.27188	3.3
477.24539	0.8
477.30734	2.0
478.31091	0.7
505.30396	1.0
543.31476	0.8
549.32092	0.7
579.33862	88.3
580.25079	0.8
580.34180	15.3
597.34900	78.8
598.35120	11.3
639.35699	15.9
640.36133	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	3.6
59.01253	70.5
59.24224	1.0
60.01594	1.3
69.36627	1.9
69.36964	11.4
71.01256	43.2
72.99173	5.2
73.02812	2.1
75.00737	2.0
83.01254	1.7
84.45813	1.1
85.02828	8.1
87.00736	5.2
89.02323	44.3
91.05405	4.1
93.03334	3.6
95.01260	4.5
96.95890	1.6
97.79169	1.2
99.00821	1.2
99.04412	1.3
99.93957	1.1
101.02322	22.1
103.72847	1.1
108.02026	1.6
109.02823	7.9
112.24032	1.4
113.02328	14.0
118.97967	1.3
119.03399	17.1
121.02869	5.8
125.88467	1.1
127.20926	1.4
131.03319	1.3
133.02800	2.2
134.03621	3.5
135.04419	47.3
136.04756	2.8
137.02324	1.5
143.03366	2.6
149.04451	1.4
149.05969	1.9
151.03839	1.2
152.01015	1.8
161.04512	2.4
161.05946	2.6
173.04472	1.6
175.07561	1.3
179.03548	1.0
179.05505	5.0
183.13817	3.7
188.23889	1.2
191.05469	6.2
197.11693	2.6
231.16603	1.1
297.11316	23.3
298.11603	2.8
355.13971	1.5
391.26794	3.5
477.17667	100.0
478.17990	11.9
480.76733	1.3
594.21466	1.3
595.33020	3.5
639.24109	7.0
640.24323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50901	0.3
59.01241	1.4
63.42092	0.4
65.03827	0.7
67.01759	5.1
71.01258	1.1
71.57954	0.6
73.02802	0.4
81.10484	0.4
85.02834	0.4
91.05411	7.8
92.05727	0.4
93.03347	2.1
101.02281	0.6
105.03364	0.5
109.02844	1.3
117.03319	0.5
121.02831	1.4
123.04421	3.5
133.02869	1.3
135.04413	100.0
136.04768	3.2
137.02353	0.6
149.02417	0.4
150.03107	0.4
150.49937	0.3
151.03867	0.3
153.05479	46.2
154.05792	1.6
159.04416	0.4
161.02347	26.6
162.02672	1.0
163.03842	0.6
171.39362	0.3
175.03955	1.0
177.05588	0.4
179.03427	3.6
188.01228	0.4
191.05493	1.9
193.04971	0.4
195.06584	0.4
197.04459	1.8
197.11757	0.9
197.89444	0.4
205.05043	1.0
217.01372	0.6
267.06799	0.7
279.06592	3.2
280.07129	0.4
283.02521	1.4
293.08252	0.4
297.07706	3.1
312.99625	0.4
315.08774	11.1
316.09131	0.8
339.08572	0.5
406.69266	0.4
459.12982	1.5
477.14011	33.9
478.14313	3.8
519.14960	0.7
583.65540	0.4
639.09326	2.5
640.10364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53035	0.9
54.06527	0.9
55.34509	1.0
69.76665	1.0
70.44743	3.5
71.01235	1.3
86.91067	0.9
89.03835	1.5
90.43272	1.0
93.03335	15.6
98.20480	1.1
105.03342	1.9
130.97032	0.9
133.02869	6.0
133.03683	0.9
137.02338	42.7
138.02684	1.6
177.01854	100.0
178.02187	5.7
192.02472	1.0
198.92744	1.0
299.07675	6.4
299.21161	0.9
339.07227	15.0
431.57172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03315	0.7
58.00449	1.8
58.96267	0.5
59.01249	45.6
60.01598	0.5
62.98262	0.5
67.01764	9.4
71.01251	26.7
72.99185	1.7
73.02819	1.1
73.42111	0.5
81.77231	0.6
83.01264	1.8
85.02814	5.1
87.00757	2.2
89.02317	35.5
89.03865	0.8
90.02664	0.9
91.05410	11.3
93.03328	1.3
95.01284	1.8
98.19780	1.5
101.02318	18.7
104.75654	0.6
109.02832	0.7
113.02328	12.1
113.93233	0.6
117.03342	1.0
119.03392	24.5
121.02894	0.5
123.04434	0.8
125.02341	0.8
131.03383	2.0
133.02835	2.2
135.04419	100.0
136.04779	3.7
143.03453	3.6
143.04385	0.6
149.04440	1.5
152.01122	0.6
153.05424	1.2
161.02359	27.0
161.04350	3.1
162.02730	1.0
173.04373	0.7
175.03925	0.7
179.03468	1.6
179.05545	8.8
187.03954	0.5
191.05553	0.8
194.84642	0.5
197.11795	1.9
252.81181	0.6
279.06534	6.6
280.07001	0.8
297.07626	8.4
298.08072	0.6
299.01959	0.7
315.10855	52.1
316.11264	3.5
459.12906	7.4
477.13959	8.4
478.14362	1.1
529.08038	0.6
608.57184	0.6
639.18317	15.1
640.19727	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2664
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
59.01238	1.6
69.88725	3.7
69.89130	1.7
77.38477	0.9
78.95776	10.3
80.96391	7.4
82.44858	0.8
83.36633	0.8
94.97962	1.4
96.96830	1.0
98.19828	1.4
111.42861	1.0
152.99524	7.7
164.98599	1.9
171.00526	5.4
171.10216	2.4
180.78468	1.1
225.00642	2.0
291.19745	1.2
299.04205	1.5
305.17502	1.0
309.20581	2.8
409.23587	1.8
433.16254	8.3
434.17245	5.0
447.18158	9.3
448.19055	10.8
449.19510	4.6
461.19998	3.8
462.20810	13.1
463.21222	7.9
489.63803	1.2
492.17984	1.7
493.18390	2.0
494.18716	1.5
506.19577	4.2
507.20303	6.1
520.17316	1.3
521.22040	23.6
522.22089	2.6
535.19751	3.0
536.20184	1.4
550.22418	2.0
551.22742	1.4
555.28455	13.5
556.28613	1.4
560.52594	1.1
577.24982	1.7
593.24127	2.9
594.24731	2.7
608.26367	22.8
609.27020	9.3
622.24298	6.1
637.26672	100.0
638.26941	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	10.2
68.94088	2.4
69.27721	29.9
78.95765	23.0
82.61009	3.1
83.04910	3.4
99.88419	2.9
137.09607	5.6
147.42451	2.7
152.99518	13.8
167.10721	3.1
171.10153	11.5
201.11246	6.0
203.28966	2.8
209.11742	6.6
247.20544	3.3
255.23285	13.4
256.28061	2.8
277.21487	3.8
291.19650	51.4
292.20105	3.7
309.17258	6.1
309.20724	100.0
310.20941	7.5
391.22675	4.2
409.22998	4.6
437.37445	2.9
485.85236	2.8
583.41083	3.2
619.36169	5.2
620.34778	2.7
637.36530	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89854	1.1
59.01233	3.4
65.03824	7.9
65.80747	1.2
67.01730	4.5
68.99683	1.3
69.03326	1.7
91.01755	3.8
91.05381	2.1
93.03323	2.6
97.02826	8.5
97.64688	1.1
97.65417	1.4
101.02330	1.4
103.90998	1.2
107.04884	2.5
107.08490	1.2
109.02836	42.1
119.01221	1.3
121.02862	2.1
121.10071	2.2
135.00777	5.9
135.04410	17.0
137.02344	100.0
138.02676	3.0
140.91574	1.2
145.02820	1.7
151.03923	8.7
153.01836	3.4
159.04420	5.1
163.00266	5.5
169.08469	1.2
169.95108	1.2
171.10201	2.2
173.06024	1.4
175.07599	2.4
177.01831	5.0
178.02354	2.1
179.03430	24.0
185.05946	1.3
186.02856	1.2
187.03854	5.8
191.03261	1.5
193.08496	2.4
193.52473	1.2
199.09735	1.4
201.05362	1.9
205.05118	1.3
209.11694	1.8
210.01270	1.5
211.03928	3.6
222.08681	2.9
223.09351	1.5
225.05540	2.0
227.07152	6.6
229.04945	3.8
251.07042	1.3
253.04955	3.3
255.06526	4.4
261.11084	13.9
262.11838	25.0
273.03964	8.7
281.04694	1.8
291.19736	1.9
293.08160	2.4
294.10953	3.0
295.06107	1.6
299.05466	2.2
301.48373	1.3
307.19138	14.4
308.19421	5.1
309.20621	6.2
314.22641	1.4
319.09857	2.1
323.05658	1.2
329.07767	1.5
329.17282	8.2
330.17770	3.4
331.06055	1.2
331.18924	29.7
335.09229	1.9
345.07651	1.8
347.09219	11.3
365.10345	1.7
373.07184	3.3
391.08173	11.3
501.11807	15.3
502.12262	2.2
529.11572	6.2
621.14185	11.1
621.30786	2.6
622.14325	3.0
638.43341	2.4
639.14984	46.4
639.23798	1.6
639.36072	1.9
640.15491	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	4.0
59.01253	78.0
63.22503	2.5
67.01771	3.8
71.01251	23.5
71.58968	4.5
73.02823	28.6
74.98973	6.1
75.00745	3.4
83.01260	5.1
85.02810	21.5
87.00748	12.0
87.04418	3.0
89.02329	12.1
91.79654	2.8
93.03345	17.2
94.17482	2.5
95.01253	4.3
95.04929	3.6
96.95900	4.6
99.04378	2.5
100.36922	2.5
101.02325	22.3
105.03351	7.0
107.04924	2.8
108.02071	6.1
109.02858	7.7
109.99997	2.9
111.00768	3.4
111.04369	3.1
111.08102	3.2
113.02343	11.8
119.04884	4.9
121.02877	4.6
123.00784	10.1
123.04409	4.4
123.08089	3.2
124.01519	7.5
125.02357	8.0
125.09634	4.9
133.02809	30.3
135.04436	25.5
136.01535	3.0
137.02327	7.6
137.99500	8.4
138.03096	5.0
139.00275	5.5
139.03893	3.7
140.01027	4.7
147.04460	6.3
149.02266	3.3
151.00299	8.5
151.03915	5.4
152.01059	7.4
153.01849	51.5
154.02553	4.7
157.08632	3.5
159.04449	4.9
161.02296	4.3
163.03903	3.2
165.01814	4.5
166.02599	24.2
166.99852	6.5
167.03354	11.1
168.00583	3.4
168.04204	25.7
171.10202	3.9
173.02458	3.3
173.03162	3.3
173.04446	22.1
175.03935	12.1
177.01872	17.5
177.05362	5.3
178.99754	2.8
179.03418	9.5
180.04056	3.2
181.04991	51.6
182.02119	8.1
185.11873	3.9
187.03987	4.0
191.03455	9.5
191.05539	45.8
191.07161	5.4
192.04286	3.6
193.01376	6.5
193.04935	4.3
197.04449	3.9
201.11430	4.4
202.02570	3.1
203.03444	17.6
205.05023	7.4
206.05772	3.2
207.02856	6.0
208.03748	10.3
215.05624	5.5
215.12808	4.6
217.04852	3.0
219.03033	4.7
219.06468	5.6
220.03601	3.2
221.04538	7.6
221.08183	6.3
233.08147	8.8
234.05098	4.3
249.07764	5.3
255.02887	4.9
255.81461	2.9
259.19116	4.5
304.48819	2.7
329.23425	3.3
351.07147	25.8
352.07660	4.7
355.08191	4.1
358.10480	7.4
371.24326	11.2
373.13068	17.0
385.13062	8.4
387.14597	6.0
389.25488	94.6
390.25708	6.4
402.09430	18.2
403.10095	7.4
403.14270	48.1
404.14423	4.1
415.14005	19.8
417.11743	16.7
418.12741	25.9
419.12952	3.7
433.15063	100.0
434.15244	10.7
437.23853	3.0
445.09341	34.3
551.30487	3.8
593.22815	5.4
593.31659	63.9
594.32648	6.7
607.07867	3.4
607.16858	8.5
622.18945	29.0
623.19104	5.6
637.21149	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38208	0.6
55.01751	0.9
57.03311	0.8
58.00451	0.5
59.01251	13.4
60.14488	0.5
63.70949	0.6
67.01762	1.6
68.99686	0.6
71.01258	8.3
71.58177	0.7
71.58594	0.6
72.99165	0.9
73.02806	2.8
75.00764	0.7
81.03316	0.7
82.37178	0.5
83.01254	1.2
85.02829	2.7
87.00787	1.2
89.02323	3.8
92.29067	0.5
93.03329	1.8
95.01259	10.9
96.95891	1.9
97.02838	1.7
101.02332	4.8
107.04893	1.0
109.02838	2.4
111.00770	2.2
113.02340	3.5
116.92764	0.7
119.03394	2.5
119.04930	1.2
121.02832	2.0
121.06493	1.2
123.00771	13.6
123.04388	0.9
124.01574	3.7
125.02364	3.8
125.99419	0.9
127.00260	1.1
133.06506	0.7
134.03648	0.6
135.04404	2.4
136.98755	1.7
137.02336	5.6
138.03120	4.0
139.00276	9.3
139.03915	4.7
143.03426	0.9
145.02856	1.8
147.04419	1.8
149.02362	1.5
151.00252	1.6
151.03899	1.4
152.01045	2.5
152.15550	0.6
153.01833	4.5
153.05508	3.4
154.02600	0.9
155.03392	0.7
159.04407	0.8
161.02350	1.7
161.04439	1.0
162.03146	2.1
163.00331	1.1
163.03937	1.7
164.04675	0.8
165.01814	1.1
166.02650	4.6
166.99760	0.6
167.03415	1.5
168.04309	0.7
173.04454	1.2
174.03139	0.7
175.03876	3.1
176.01089	1.9
176.04742	1.0
177.01880	4.7
177.05475	4.6
178.02669	2.9
178.06226	0.9
179.03406	1.0
179.05559	1.3
181.05035	5.2
188.01076	1.5
188.04718	0.8
189.01852	1.7
189.05473	0.9
190.02646	1.4
190.06194	0.8
191.03532	4.2
191.05426	4.1
191.07063	1.0
192.04236	8.9
193.05000	6.3
194.05574	0.8
203.03452	4.4
204.04237	2.2
205.05005	1.7
205.08669	0.8
207.06577	6.9
217.01418	0.7
218.05798	5.5
219.02963	0.7
219.06577	1.7
221.04536	1.6
223.06047	0.8
227.03452	1.0
229.05132	1.1
234.05330	0.9
235.05956	0.9
237.05582	0.6
243.06648	1.2
251.09340	1.1
255.03014	0.8
255.06779	0.7
271.06000	0.7
283.06024	1.1
284.03278	1.0
285.03943	1.4
285.07376	0.8
286.03720	0.7
287.09219	0.6
299.05768	0.8
313.07068	0.8
325.06992	1.0
327.08542	0.8
328.09723	0.7
339.08539	1.1
342.07474	1.2
343.08328	3.3
343.11816	0.9
351.03903	0.7
355.08209	1.9
357.09711	2.9
358.10547	14.2
359.11230	2.5
359.15112	0.8
370.10464	1.2
372.12454	0.8
373.12930	31.2
374.13321	3.0
385.13123	1.1
387.10864	1.3
389.12122	1.0
389.25406	3.4
401.12048	0.9
402.09329	1.3
403.10098	3.0
403.14340	15.7
404.14569	1.5
417.11993	2.0
418.12625	5.3
419.13382	0.9
432.14069	1.0
433.15024	100.0
434.09891	1.0
434.15308	8.9
520.05499	0.6
533.29657	0.9
541.86316	0.7
577.19366	2.2
577.28741	2.5
593.31641	1.8
595.21173	0.9
595.30017	1.8
607.17090	1.2
622.19165	3.0
637.21368	50.8
638.21509	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	37.9
59.01248	12.0
66.60053	1.2
69.76380	1.2
69.76784	1.0
70.02852	4.4
71.01266	5.7
72.00776	2.8
73.02818	2.7
74.02354	3.6
74.30443	1.1
75.00754	4.5
85.02824	1.3
87.00753	3.4
89.02312	5.1
91.05396	2.2
93.03353	3.0
96.95884	2.5
98.02345	1.3
98.20583	2.0
101.02316	4.7
102.01849	21.7
103.00262	1.7
109.02876	2.4
111.04410	1.3
113.02322	2.8
116.03423	3.4
116.92735	4.1
117.92758	2.2
119.04916	1.9
121.02834	1.3
133.25157	1.2
135.04398	1.3
137.02359	2.0
147.04422	15.1
149.05986	2.1
152.01118	1.7
156.96547	1.2
164.07083	59.1
165.07440	2.4
166.48941	1.3
173.04456	3.2
177.01863	1.5
179.03636	1.2
179.05432	1.5
191.05554	12.0
206.08170	100.0
207.08482	6.7
229.84103	1.6
250.07120	1.7
279.77130	1.2
293.96701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23817	0.4
57.03332	2.5
58.41311	0.4
59.01247	1.6
69.03322	2.0
71.01258	0.7
73.02825	0.5
73.23059	0.4
74.92831	0.4
75.32738	0.4
77.88497	0.4
77.89011	0.4
78.95790	0.4
80.02546	0.6
83.04895	1.4
84.02033	0.6
85.02823	7.4
93.03328	0.4
95.04889	1.0
97.02845	1.4
97.06475	2.8
104.59647	0.4
105.56298	0.3
107.04926	0.6
109.06458	0.5
110.03600	0.7
111.08058	1.0
116.92838	0.4
118.27284	0.4
121.02850	0.5
121.06485	1.1
123.04406	2.1
123.08055	3.9
125.09616	1.7
125.87867	0.4
127.11180	1.8
135.08032	0.6
137.05937	0.4
137.09656	2.8
139.11189	2.1
142.02594	1.1
149.09656	0.6
151.11211	1.8
155.10686	1.1
155.14288	1.3
165.12761	1.1
167.10680	0.6
167.14293	0.7
171.10179	24.5
172.10535	0.7
177.12772	1.4
181.12277	0.5
183.10210	0.6
183.13841	2.4
185.11751	1.5
191.05612	0.8
193.12270	0.9
194.21297	0.4
197.11769	0.7
199.13336	8.9
200.13657	0.5
201.11272	2.3
203.10629	0.4
209.11781	1.6
211.13336	13.9
213.11278	1.1
221.11745	3.2
222.12056	0.5
227.12830	0.8
229.14403	9.1
229.25624	0.5
233.15384	0.7
239.12796	1.8
245.19040	2.4
247.17017	0.4
247.20686	0.4
251.05592	0.7
271.16986	0.9
273.18585	0.6
289.18085	22.4
290.18463	1.6
291.19629	3.1
305.17538	0.7
307.19138	38.8
308.19501	3.2
309.20724	1.6
325.20288	3.3
327.21753	100.0
328.22171	7.5
349.63660	0.5
573.41541	0.5
635.41742	3.4
636.41974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00421	0.3
57.03316	2.9
59.01244	0.8
63.99321	0.4
69.03328	1.4
71.01247	0.4
81.03337	0.6
83.04902	1.1
84.02050	0.4
85.02824	7.9
95.04891	0.9
97.02845	1.1
97.06472	2.8
98.20608	0.6
103.03266	0.3
107.04926	0.7
109.06482	0.4
110.03590	0.6
111.04374	0.4
111.07970	0.4
119.08588	0.3
121.06453	0.5
123.04401	1.6
123.08027	3.6
125.09624	2.1
127.11182	1.3
135.07996	0.6
137.09618	2.6
139.11215	1.9
142.02599	0.5
151.11183	0.9
155.10683	0.8
155.14297	1.5
163.11115	0.5
165.12796	0.5
167.10738	0.4
167.14302	0.8
171.10182	20.0
175.68506	0.4
177.12749	1.2
183.13828	2.1
185.11734	1.1
193.12250	1.1
195.13708	0.4
197.11818	0.6
199.13319	6.7
201.11263	1.9
209.11774	1.5
211.13336	12.5
212.13626	0.8
213.11266	0.6
221.11787	3.0
229.14401	9.1
230.14784	0.5
233.15358	0.7
239.12851	2.0
245.19006	2.5
247.17026	0.5
271.16913	0.5
289.18088	18.2
290.18390	1.5
291.19669	2.4
307.19147	34.8
308.19489	3.2
309.20709	0.8
325.20206	1.1
327.21750	100.0
328.22076	8.9
635.41724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69027	2.7
57.03324	7.9
59.01250	13.1
59.01548	2.4
60.84225	2.6
61.12233	2.6
61.98661	3.1
71.01272	3.1
71.04877	3.2
78.95778	59.0
82.98158	2.9
92.08754	2.6
93.06987	4.2
95.04926	2.9
96.96809	4.8
97.04744	3.3
97.06405	7.2
109.06487	2.9
111.08035	8.9
113.09631	14.0
120.43747	2.9
123.08073	7.2
125.09616	27.9
127.11172	10.1
137.08684	3.1
137.09647	8.9
139.11209	5.9
141.01640	3.8
141.09142	5.7
151.11174	11.0
152.99480	29.9
153.09094	4.3
155.10677	7.0
165.09158	6.5
167.10713	3.6
171.00554	35.1
171.10204	33.8
174.86870	3.0
195.10239	4.9
199.09718	7.0
199.13327	9.7
201.11258	100.0
202.11649	4.7
209.11790	4.8
213.11276	66.3
214.11700	5.8
227.12892	9.5
242.18414	3.1
245.19092	6.7
247.20685	7.9
289.18112	43.8
290.18524	4.2
291.19662	55.6
292.20038	3.6
297.10248	2.9
298.43823	2.8
305.17609	12.9
307.19131	75.6
308.19479	8.1
309.20728	92.6
310.21048	8.3
325.20200	88.7
326.20587	9.6
327.21774	96.9
328.22208	7.2
341.19794	2.9
343.21228	18.1
407.21851	4.4
443.60031	4.3
489.25119	4.1
513.32831	3.5
635.25647	9.0
635.42389	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18655	1.6
50.78449	1.5
57.03308	3.0
58.00454	3.9
58.97902	1.5
59.01251	100.0
60.66713	1.4
68.99665	1.8
69.03331	2.5
69.33794	16.3
69.63430	1.5
71.01254	50.7
72.99174	4.9
73.02817	15.4
75.00751	2.3
78.95774	2.5
80.86385	1.6
83.01249	7.4
85.02822	22.8
87.00753	9.2
89.02320	29.8
93.03358	6.6
95.01257	6.8
96.95911	8.1
97.02859	2.9
99.00762	3.5
101.02325	35.1
108.02081	4.4
109.02842	2.1
111.00784	3.4
113.02331	24.6
116.92737	3.4
119.03397	8.9
119.04913	2.6
121.76891	1.7
123.04389	1.7
124.01553	2.2
125.02341	10.1
126.19446	1.6
135.04428	7.0
137.02325	5.0
143.03423	6.8
145.02879	3.0
149.04459	1.9
151.00272	2.3
151.03964	2.1
152.01042	3.4
153.01801	2.8
161.04466	10.1
165.01888	4.9
173.04509	6.2
175.03928	1.8
177.01964	3.0
179.03447	4.7
179.05498	3.2
180.04172	2.6
183.06604	1.7
191.05530	14.6
195.06535	3.5
225.07622	1.9
229.01537	1.7
234.99504	1.8
255.03123	3.6
271.09949	2.4
283.02435	4.0
285.04071	3.8
387.00293	2.0
387.20114	3.3
531.24463	55.7
532.25000	9.3
549.25500	38.3
549.33881	2.2
550.25732	3.3
591.26453	5.1
592.07343	2.0
635.22571	3.0
635.34778	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2514
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.77573	1.6
53.27073	1.5
53.90383	1.4
70.61865	3.2
70.62195	3.0
70.98108	1.7
77.59030	1.5
78.95772	31.4
83.47815	1.7
87.28767	1.9
96.96811	1.7
100.56267	1.9
114.37363	1.6
125.65202	1.8
152.99467	16.0
156.64287	1.7
165.61542	1.5
171.10216	6.4
196.71872	1.7
255.23247	23.9
284.01114	1.8
385.51532	1.9
391.22559	4.4
399.14389	4.4
409.23593	4.7
431.19235	2.6
445.16534	3.3
459.18430	2.5
473.15240	2.6
473.20819	3.4
474.17114	5.5
475.17664	3.8
488.18356	10.0
489.19287	5.7
490.20340	5.2
501.19687	2.2
505.22586	4.6
529.18420	2.6
549.21716	2.2
575.22992	20.2
576.23810	10.2
635.25208	100.0
635.35504	11.1
636.25476	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24337	1.8
53.42741	1.6
57.03317	2.7
58.00445	2.4
59.01252	100.0
60.01591	2.0
69.24289	22.5
71.01257	56.7
71.25802	1.7
72.99195	3.9
73.02813	21.0
77.81056	1.7
78.08336	1.5
83.01267	7.7
83.79819	1.6
85.02818	18.6
86.96428	1.9
87.00754	5.9
89.02322	31.5
93.02428	1.8
93.03355	3.5
94.99443	1.8
95.01291	6.4
96.95889	8.1
96.96879	1.7
98.20600	2.6
99.00751	4.2
101.02325	37.3
109.02869	1.9
113.02332	45.4
119.03384	14.7
125.02309	2.9
131.03375	2.6
135.04456	2.3
137.09566	2.5
143.03418	6.8
161.04480	17.3
169.63863	1.7
179.05577	6.3
191.05548	6.9
197.05717	1.9
206.08182	4.7
369.19186	7.2
387.20209	4.1
531.24377	52.4
532.24799	7.0
549.03888	2.1
549.25433	33.6
550.25751	5.9
591.26862	7.2
601.75153	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84964	2.2
59.01260	12.3
65.03829	5.0
67.01753	5.1
71.01264	5.1
71.58438	2.7
72.99165	3.1
76.93153	1.7
78.95760	2.3
85.02830	4.0
89.02342	2.9
91.01779	6.9
93.03323	14.0
96.95919	2.0
101.02343	2.6
108.02045	2.2
109.02832	20.3
116.30365	1.6
121.02848	6.2
122.03604	4.9
123.04402	16.9
133.02869	4.4
135.00774	8.0
135.04402	13.3
137.02345	100.0
138.02702	3.3
141.14552	2.0
147.04465	2.2
149.02333	3.9
151.03903	6.6
153.01833	7.9
159.04408	5.0
161.02313	2.2
163.03923	9.1
171.10182	1.7
173.04477	4.5
183.19583	2.0
185.02309	2.0
187.03972	11.1
191.00194	1.7
191.03868	1.8
191.05473	8.9
211.03998	2.9
229.05110	3.0
251.07204	2.8
261.08936	2.1
273.04092	6.9
283.04874	1.9
317.08209	5.6
319.09662	2.1
329.08328	2.8
345.11768	3.4
361.10788	8.9
373.07162	3.6
421.10797	5.3
427.11707	4.1
439.11859	7.4
469.13046	2.7
483.10776	40.2
484.11169	4.9
486.56473	2.3
497.12207	8.6
525.11719	8.2
573.15485	6.7
591.16614	4.3
607.16174	5.1
617.14288	4.4
635.15479	53.5
635.31555	6.1
636.15765	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.162
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
56.87903	0.2
58.89123	0.2
59.01255	1.7
63.02264	0.3
65.00201	0.7
65.67951	0.2
67.01744	0.2
69.24129	2.6
70.23222	0.2
73.02837	0.4
78.41685	0.2
82.64546	0.2
83.01243	0.5
84.60922	0.2
85.02835	0.7
87.00768	0.2
89.02331	0.6
93.03323	1.2
96.95852	0.3
101.02333	0.7
107.01254	1.9
108.02113	0.3
109.02841	0.3
113.02355	0.4
117.03368	0.2
125.02349	0.2
132.02057	1.3
133.02829	0.5
135.00824	1.3
135.01675	0.2
135.04436	0.7
137.02306	0.3
142.82834	0.2
143.04956	0.2
145.02861	0.5
151.00284	2.7
152.01085	0.3
161.02357	1.7
163.00320	1.1
164.01038	0.7
167.04916	0.3
169.01320	0.4
173.04507	0.4
174.03285	0.2
178.99768	1.6
179.03432	0.2
183.04454	1.2
185.02351	0.5
187.03929	0.7
191.05557	4.3
199.03883	0.5
200.04716	0.2
211.03928	2.3
213.05463	0.5
227.03458	44.2
228.03827	2.8
229.04985	1.3
239.03500	0.9
241.04999	0.3
255.02972	80.7
256.03461	8.0
257.04471	1.5
269.04883	0.2
283.02512	1.6
284.03262	100.0
285.03860	15.0
286.04398	0.5
309.03906	0.4
327.05130	0.5
443.09924	1.6
444.10349	0.3
471.09296	1.0
473.10693	0.3
489.10364	0.4
575.13995	1.0
593.15186	0.6
634.34137	0.4
635.16180	49.0
636.16522	7.2
636.24811	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01252	1.7
66.15440	0.7
69.03333	1.2
69.24963	9.6
74.45518	0.7
78.95781	5.4
82.98084	0.8
83.04914	1.8
84.02047	7.5
97.02831	2.6
97.06475	3.7
99.04399	1.5
107.08569	2.3
110.63152	0.8
115.32868	0.8
117.07320	0.8
120.85068	0.9
123.22383	0.9
125.09615	2.7
139.11211	4.0
152.99530	4.9
154.07774	0.8
167.10701	2.0
171.10176	26.8
172.10507	1.4
183.10263	0.8
185.11740	1.0
193.12321	5.6
198.76556	0.7
199.13321	3.0
201.11314	1.5
211.13255	1.1
213.11221	2.7
221.11803	1.1
225.14894	4.9
240.13652	2.2
243.15950	2.4
247.20613	1.7
273.18640	1.7
291.19662	29.3
292.19888	2.7
307.19247	0.9
309.20712	100.0
310.21082	7.7
311.21677	0.8
341.23306	69.1
342.23581	7.3
375.01266	0.9
379.11475	1.0
397.12570	1.7
456.38870	0.8
490.37305	0.9
615.42352	2.1
633.43842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22713	1.1
59.01267	1.9
65.15347	1.0
69.03327	1.7
78.95778	12.9
84.02031	6.8
96.96870	1.2
97.02834	3.2
97.06462	10.4
98.20580	2.8
99.04406	2.1
107.08552	1.4
125.09622	3.8
127.11211	1.3
131.37621	1.1
137.09631	1.4
139.11140	2.4
152.99509	10.7
171.10185	22.1
191.64455	1.1
193.12296	10.6
201.11227	1.6
211.13321	2.5
221.11885	1.3
225.14888	14.9
226.15242	1.1
233.01277	1.1
243.15953	5.9
247.20543	1.7
263.20193	1.6
291.19675	26.9
292.19894	3.2
308.13239	1.2
309.20731	42.1
310.20999	3.1
341.23322	100.0
342.23752	8.7
379.11627	3.0
387.71536	1.3
397.12408	5.4
405.46811	1.2
411.00006	1.4
615.42682	11.2
616.42615	2.4
633.34851	1.7
633.43939	14.0
634.44049	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85518	1.2
57.03311	1.3
58.78909	1.1
59.01241	3.9
69.03287	1.1
78.95779	5.6
81.77690	1.1
83.04898	1.8
84.02035	8.3
96.96852	1.4
97.02817	1.6
97.06454	2.7
99.04394	2.2
107.08537	2.3
111.08082	1.8
125.09579	2.6
137.47885	1.1
139.11163	4.1
149.21242	1.1
152.99484	5.6
160.04742	1.2
167.10725	1.7
171.10179	23.1
183.10173	1.4
185.11806	1.3
193.12279	4.2
211.13303	2.3
213.11217	2.4
225.14882	3.4
229.34464	1.2
240.13629	1.8
247.20670	2.5
272.17209	1.1
273.18594	1.5
283.62384	1.3
291.00620	1.2
291.19644	23.4
292.19943	3.4
307.19043	2.4
309.20694	100.0
310.20993	8.2
336.35941	1.3
341.23306	68.7
342.23737	5.7
379.11603	2.2
397.12619	2.8
615.42517	2.2
616.81915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08709	3.2
61.35670	3.1
65.34206	3.2
66.97813	3.9
67.67689	2.9
71.01389	3.9
78.95778	8.9
89.39213	3.1
97.06508	3.5
109.06434	16.4
125.09629	24.9
127.07542	100.0
135.31337	4.0
136.05173	4.6
139.11157	10.1
171.06548	43.6
171.10156	3.5
187.09691	12.3
199.13316	4.8
199.65617	3.3
201.11258	31.0
255.23143	5.4
267.16046	4.3
275.16486	4.0
277.21774	16.2
293.17563	29.0
311.18866	7.6
355.17691	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.9
57.74803	1.3
59.01250	2.3
59.94915	1.2
69.03332	5.2
71.04896	1.6
71.58408	2.5
78.95784	2.3
81.61923	1.3
83.04906	1.6
83.59608	1.5
84.02050	13.3
95.04902	1.5
97.02821	4.9
97.06467	6.8
99.04403	2.4
109.06473	2.3
118.97849	1.3
119.08548	3.3
123.04425	1.6
123.08067	3.2
125.09599	8.9
127.11201	1.5
130.95645	1.4
135.08046	4.3
137.09631	26.6
138.09973	1.5
139.11185	3.1
151.07567	1.5
152.99532	1.2
153.09113	2.0
169.08513	1.2
171.10187	100.0
172.10535	5.2
185.11790	4.6
187.09671	3.2
193.12285	3.5
199.13347	2.9
201.11292	6.1
204.53278	1.3
209.11722	2.8
210.12088	1.4
213.11197	2.2
221.11769	1.8
225.14810	6.1
229.19530	1.7
243.15939	2.5
273.18677	5.0
275.20187	1.8
285.14969	2.1
287.16727	2.3
289.18021	7.7
291.19659	21.8
291.22668	1.9
292.20166	2.5
293.21158	1.3
303.16116	2.8
305.17480	8.5
307.14246	1.5
307.15341	1.5
307.19083	14.1
309.20633	13.4
321.16998	4.2
323.18533	3.1
325.20059	3.1
341.23318	90.5
342.23770	5.9
406.00085	1.5
461.32672	3.8
633.43982	25.2
634.44739	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.3
58.00463	1.3
59.01250	2.2
69.03326	1.5
73.02814	1.1
80.02572	1.2
83.04860	1.5
85.80175	0.9
88.47408	0.9
97.06477	2.1
98.20673	1.2
109.06481	1.1
111.08040	9.0
115.88724	0.9
121.06425	1.9
123.04415	1.8
123.08031	6.7
125.05956	1.1
125.09621	18.2
127.11156	5.6
135.08081	1.8
137.09634	7.0
139.11163	3.7
141.09123	1.8
142.02588	1.0
149.09651	2.3
151.11188	5.8
153.09114	2.9
155.10745	2.3
155.14279	2.2
164.08279	1.8
165.09076	2.0
169.12306	2.0
171.10162	13.7
172.10623	1.1
177.12772	1.3
183.10107	2.1
185.11748	1.3
195.10243	2.3
199.09683	3.1
199.13315	11.8
201.11261	49.8
202.11600	1.7
209.11899	1.9
213.09219	2.0
213.11269	37.3
214.11626	1.7
227.12828	4.7
229.98412	1.1
245.19145	6.1
271.16983	1.3
281.21552	1.2
289.18094	51.1
290.18234	5.2
305.17480	2.1
307.19141	93.4
308.19467	7.9
309.20520	1.9
323.18402	1.1
325.20187	100.0
326.20615	8.6
478.57529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29937	1.1
57.03327	2.6
59.01254	39.5
69.03335	4.5
69.55364	9.7
71.01257	38.3
72.99181	2.6
73.02826	6.3
80.02534	1.2
83.01265	2.3
85.02827	8.9
87.00750	5.4
88.55935	1.3
89.02319	24.3
95.01259	3.9
97.02838	2.9
99.00755	1.7
101.02325	16.5
109.02843	1.4
111.00739	1.3
113.02325	13.6
119.03411	10.5
123.00773	3.3
125.02332	14.3
125.09594	5.1
131.03329	1.2
135.04369	1.8
136.56908	1.2
137.09610	2.9
139.11153	2.5
141.01842	1.9
141.09116	2.0
143.03380	1.7
147.02570	1.1
149.04401	1.5
153.09045	1.1
161.04474	3.5
171.10188	8.1
179.05565	4.8
179.10622	1.5
179.14319	1.1
191.05577	5.8
191.10680	1.2
199.09761	4.5
199.13411	3.0
200.10492	3.6
201.11220	3.2
211.13312	1.4
223.95709	1.3
247.20618	2.9
263.20041	1.5
291.19672	20.7
293.21252	12.8
294.21384	1.4
300.56653	1.2
309.20712	100.0
310.21078	10.6
315.19626	2.5
333.20706	7.9
341.10794	5.4
345.20697	5.2
346.21204	2.1
346.64175	1.2
361.97403	1.2
363.21722	4.1
381.22757	7.3
399.21582	2.4
411.23962	5.5
417.22580	1.5
435.23157	2.0
453.24893	12.5
454.25317	1.4
471.26392	5.7
633.31232	71.3
634.31781	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.2
64.35106	1.4
71.49779	2.2
89.02305	2.6
90.02463	1.3
90.73820	1.0
96.95950	2.2
109.06477	3.0
111.40192	1.0
113.74879	1.1
131.47392	1.2
135.04399	3.4
138.74370	1.1
161.02367	2.6
191.05574	1.4
197.06107	1.5
199.03992	1.3
209.06076	7.3
221.06270	1.5
225.05554	5.8
226.06316	7.9
236.04761	1.3
237.05518	4.5
240.04285	2.5
241.05040	1.6
250.96811	1.2
253.04968	6.9
254.05801	10.8
264.04327	9.6
265.05054	100.0
266.05405	7.9
267.10266	2.3
286.04953	2.5
302.53668	1.3
304.47430	1.4
305.04947	1.5
305.08215	20.4
305.11523	0.8
305.17365	1.8
306.08731	1.8
309.11331	85.4
310.11670	9.4
323.09247	86.5
324.09637	7.2
333.11234	1.7
413.10236	3.2
496.07584	1.2
575.16925	10.2
615.20490	1.8
633.21228	13.1
633.30487	2.1
634.21899	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.8
58.00473	1.7
59.01250	44.0
69.82051	6.2
71.00856	2.0
71.01254	37.8
71.04887	1.8
72.99181	3.8
73.02811	10.0
78.58097	1.1
81.03349	2.9
83.01271	3.6
83.04955	1.4
85.02813	8.8
87.00750	8.0
89.02324	22.0
89.90084	1.3
93.03336	2.4
95.01280	3.1
95.11962	1.4
96.95898	3.1
97.02836	2.1
98.20522	2.7
99.00752	2.0
101.02332	22.6
113.02333	13.3
119.03397	9.0
121.02854	1.6
123.04430	3.1
123.08033	3.4
125.02328	3.1
131.03391	2.8
131.08568	1.8
135.04417	3.4
137.09566	2.6
139.11186	3.5
143.03380	3.1
149.09644	6.0
151.11185	4.4
161.04507	3.5
171.10194	8.3
173.04440	3.5
177.12793	1.8
179.05560	4.7
179.10625	2.8
191.05518	8.6
195.13841	3.3
199.13327	5.4
200.78433	1.3
221.11745	3.2
223.13335	2.2
225.14893	1.8
227.16507	2.1
237.15050	1.5
247.20677	5.2
271.20718	3.0
273.18518	2.1
289.18259	1.8
291.19687	100.0
292.20020	8.3
293.21283	14.8
297.87906	1.5
305.21036	1.9
309.20703	87.4
310.20993	7.8
311.22440	2.1
315.19608	11.0
316.19705	1.9
333.20712	13.9
334.91031	1.4
341.10892	2.7
345.20694	4.5
351.21887	7.4
357.20737	1.7
363.21841	7.2
381.22812	12.8
382.23196	1.8
411.23846	25.6
412.24188	3.8
453.25027	7.6
471.25995	27.1
472.26523	3.3
513.31006	1.7
633.31287	83.6
634.31549	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03325	1.9
58.00443	2.1
59.01253	35.9
69.03315	2.9
69.31190	4.6
69.31628	5.3
71.01254	42.3
71.04898	8.5
72.99175	2.7
73.02817	5.5
74.38137	0.9
75.00708	1.0
81.03313	1.3
83.01260	2.2
83.04857	1.1
85.02832	5.4
85.03273	1.2
87.00745	5.5
88.37173	1.0
89.02322	18.2
93.03336	1.4
95.01244	3.3
96.95910	2.1
97.02815	2.8
97.06464	3.6
99.00766	9.4
101.02316	20.4
107.04919	1.0
113.02343	11.8
119.03397	7.4
121.10157	5.5
124.01560	1.4
125.02323	8.9
125.09620	2.0
130.70752	1.1
131.03339	1.4
135.04437	0.9
135.08057	1.3
137.09613	14.4
137.29240	0.9
141.01857	2.6
142.02629	4.1
143.03366	1.2
147.08008	1.1
151.43817	1.2
161.04449	2.6
161.09636	2.2
171.10182	37.3
172.10574	1.9
173.09663	2.1
179.05511	3.1
179.10713	8.8
181.12215	1.2
185.11795	4.8
191.05493	2.1
191.10666	3.4
207.13695	1.1
209.11810	2.3
219.13812	1.2
235.16898	1.5
247.20866	1.5
251.16516	7.2
261.60168	1.2
271.20657	1.4
275.20190	7.9
291.19641	30.2
292.20081	3.0
293.21161	3.8
309.20724	44.7
310.20987	3.3
313.03879	1.2
315.19650	3.2
327.19684	2.3
333.20721	8.3
345.20786	3.8
351.21802	10.7
363.21710	2.8
369.44528	1.1
381.22861	21.7
382.22791	1.4
393.23209	1.2
411.23898	16.3
412.24084	1.7
435.23813	1.6
447.30170	1.0
453.24933	9.4
471.25964	22.8
472.25977	2.6
610.50226	1.1
615.30072	1.7
633.31287	100.0
634.31512	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.0
59.01241	7.7
69.03294	3.4
69.36283	10.4
69.36714	12.2
71.04890	4.4
72.55341	2.5
78.95778	6.7
81.03336	5.0
83.04877	6.2
95.04900	39.3
97.06458	11.1
98.20529	3.9
101.08244	2.3
109.06509	19.0
111.08004	3.3
119.04926	2.4
121.02835	3.3
121.06472	6.6
123.04371	8.5
123.08051	18.3
125.09602	32.9
135.04396	3.3
135.08063	38.5
137.09615	5.9
139.11180	7.2
142.02553	4.6
149.05972	3.6
151.11148	3.9
163.11137	9.3
165.09048	2.7
167.60612	2.6
171.10173	10.8
177.12776	3.2
179.14305	8.8
185.11769	16.7
197.11848	4.4
199.13324	34.8
200.13644	4.3
201.11221	5.7
207.10199	6.8
209.11778	11.7
211.13211	3.8
213.11229	2.4
223.13342	88.9
224.13644	2.7
233.11639	4.2
235.13324	3.6
245.19098	10.6
247.13458	3.4
249.14923	2.9
251.12894	8.2
251.16125	2.5
263.16537	4.2
265.14429	58.4
266.14786	3.6
287.16547	14.2
289.18091	81.0
290.18338	5.9
303.15997	9.3
305.17596	47.4
306.18015	4.1
307.19141	100.0
308.19400	7.4
309.20587	3.7
321.17065	19.5
323.18512	10.4
325.19922	5.8
631.19977	3.3
631.38824	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05416	1.3
57.03325	100.0
58.03660	1.7
59.01253	58.2
71.01258	2.6
71.15759	1.4
73.02822	3.4
75.20780	1.3
81.03366	1.6
83.01254	2.6
85.02818	2.7
89.02300	1.6
98.19834	3.9
99.04396	99.8
100.04723	3.6
101.02322	34.8
108.02059	2.0
109.02850	3.2
113.02308	1.8
119.04935	1.8
125.02318	15.0
137.02313	1.6
143.03369	2.5
145.02861	2.9
153.01796	2.7
153.05525	1.8
161.04472	47.5
163.03935	2.2
168.04189	6.3
183.06569	31.2
184.76073	1.6
191.05548	3.1
221.06589	4.3
243.08615	1.4
261.09763	3.6
262.65588	1.6
263.07782	5.8
303.10760	3.9
305.08884	2.0
308.64722	1.4
489.16125	21.3
490.16342	2.3
531.17041	7.1
633.19818	9.8
634.20209	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73543	0.8
58.95259	1.1
59.01242	6.1
67.36739	1.1
69.69407	5.2
69.69820	2.2
71.01260	1.8
80.08182	0.8
93.03342	2.5
94.06507	1.9
96.95902	1.0
110.05958	2.4
111.04479	0.9
122.06034	3.5
133.02806	2.5
135.04405	1.1
136.07619	1.3
136.81152	0.9
148.01654	1.1
161.02420	1.5
161.07109	1.2
162.64049	0.9
171.36937	1.0
173.02431	1.0
173.04483	1.4
174.05536	4.0
176.01062	4.3
177.01849	6.3
189.01933	1.8
190.02615	7.2
191.05528	2.9
201.01877	17.7
202.02400	1.7
203.03500	2.9
214.02617	1.8
215.03468	14.4
216.04221	15.9
217.04768	1.2
225.05675	1.1
227.03517	5.5
229.04948	1.1
241.05008	2.7
241.13448	3.0
242.05820	2.5
243.14995	3.0
253.05014	5.2
255.06548	1.4
267.06619	6.2
268.07327	1.1
277.09705	1.0
281.08292	2.9
287.14038	3.9
295.09732	9.3
297.11319	74.8
298.11667	7.5
311.10428	1.1
343.12891	1.2
372.16913	1.8
373.17813	1.7
400.16879	2.5
414.18024	2.3
433.20331	1.5
451.21173	10.7
469.22293	100.0
470.22678	14.6
511.23273	3.0
513.24811	2.2
537.24933	2.1
555.26068	3.5
599.25403	6.2
631.27795	22.3
632.27899	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94176	2.0
59.01236	2.3
64.22123	1.6
64.62916	1.9
71.06699	5.1
78.95785	2.7
91.25623	2.5
92.64603	1.8
108.02051	4.4
109.02841	7.6
121.02811	10.3
122.03621	5.3
123.04388	5.5
123.08021	2.0
125.09583	2.9
133.02837	3.6
134.03612	3.9
135.04391	11.7
137.06000	2.9
139.11209	2.4
147.04413	18.1
148.01555	13.1
148.05145	5.9
149.05992	3.8
152.99541	2.1
159.04391	6.5
161.06044	4.1
162.06700	1.9
163.04059	2.5
171.10173	2.0
174.03087	10.0
175.03935	31.3
176.04758	2.7
177.12770	2.1
187.03915	3.1
189.05496	34.2
189.09146	3.7
190.05864	2.0
191.10690	4.6
199.13353	5.6
201.05481	10.1
202.09853	3.8
203.06979	2.1
215.07034	6.1
217.12280	24.2
218.12733	3.1
229.12167	2.3
231.13814	4.2
247.13406	4.1
257.15485	2.5
259.13348	4.1
270.12631	2.4
273.11942	2.0
273.14856	9.5
277.14401	2.2
284.14160	4.4
285.14987	2.2
289.18134	12.9
290.18954	2.1
291.12540	2.4
291.16016	4.9
291.19476	3.9
304.13187	22.1
307.19177	16.2
309.20724	6.6
317.13977	3.5
317.21225	12.5
318.14691	13.0
323.22372	3.5
331.15356	2.5
383.22021	2.4
401.23285	26.0
402.23532	2.3
409.23788	7.0
413.23251	46.6
414.23682	4.4
427.24860	89.8
428.25095	7.9
439.24670	19.2
440.25394	2.6
522.26215	11.9
631.36401	100.0
632.36627	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63014	1.3
57.03312	1.6
59.01253	24.5
67.01740	1.5
67.02743	1.3
71.01260	14.5
71.58402	1.6
72.99176	2.3
73.02817	3.6
83.01242	1.8
83.04898	3.1
85.02821	3.7
87.00744	2.5
89.02324	7.5
91.53036	1.1
93.03337	6.3
95.01241	1.6
96.95894	8.0
97.02852	1.7
99.00766	2.2
100.58097	1.2
101.02312	7.2
109.02821	2.1
111.04395	1.5
113.02322	7.5
117.06973	2.7
119.03399	1.6
119.04907	2.2
119.08555	3.0
121.02803	3.9
122.03629	3.0
122.06025	1.5
123.00813	1.6
125.02319	4.7
132.02206	1.7
133.02899	1.6
134.03630	2.9
135.04404	8.9
137.02336	2.3
143.03487	1.2
145.06479	4.8
147.04448	3.0
148.42180	1.4
149.02341	26.5
150.03070	4.1
151.00264	1.7
151.07501	4.4
152.01027	3.1
153.01793	2.5
156.05618	1.7
159.11748	5.9
161.02377	3.0
161.04524	1.4
163.03891	12.4
164.04706	19.9
165.01730	1.5
165.05452	4.9
166.02689	1.4
171.08063	10.9
172.08447	1.2
173.02301	2.7
173.04453	3.2
175.00288	4.0
175.03767	1.4
176.01085	1.9
177.01819	2.3
177.05452	4.2
178.06253	1.7
179.03432	3.4
179.07036	5.9
181.04959	1.1
185.09630	6.3
186.10439	37.1
187.10887	2.0
188.04735	2.1
190.02654	10.9
191.03404	13.5
191.05534	11.2
192.04079	2.4
193.01335	2.1
199.11218	4.4
201.12793	100.0
202.13116	6.6
203.07079	4.3
204.04260	2.0
205.04988	15.3
206.05791	21.6
207.02953	8.6
207.06383	2.7
208.03667	6.5
209.04471	5.7
221.08153	19.0
222.05284	2.0
222.08383	1.7
223.06076	36.6
224.06444	2.3
235.02316	3.1
237.07607	9.2
245.11797	62.7
246.12109	4.1
247.06107	2.4
250.04855	10.4
251.05574	3.1
265.07169	69.9
266.07526	4.9
281.06717	2.9
289.17978	3.3
295.08215	18.8
296.08493	2.0
307.19177	1.3
311.07672	7.5
325.09271	20.0
371.09677	4.0
375.06812	3.0
385.11368	5.0
386.55054	1.3
425.18173	11.7
467.33777	2.0
468.34033	5.5
469.33853	3.2
513.26361	1.6
631.24036	6.8
632.23938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	35.9
69.60541	13.8
69.60974	25.3
71.01253	21.2
72.99168	5.9
73.02825	18.2
76.50859	4.6
83.01263	7.8
83.04885	6.1
87.00761	9.1
93.03362	5.3
96.95889	11.8
98.20480	10.0
101.02331	19.7
104.02531	14.3
109.02824	9.4
114.29811	4.8
133.02806	10.8
134.03629	5.0
135.04422	16.9
146.59685	5.2
148.01555	15.1
161.04497	6.4
173.04500	7.4
176.01083	87.5
177.01840	100.0
178.02179	7.5
191.05568	28.2
203.10698	17.4
220.61633	4.9
225.84343	4.6
297.11331	12.1
302.83710	4.8
365.17480	6.2
451.21310	14.8
469.22241	30.9
496.13675	5.1
587.24847	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.9
70.86604	2.4
73.82967	1.0
75.71631	0.9
77.69488	1.4
78.62976	1.1
79.75951	0.9
85.34847	1.0
91.73616	1.1
93.03355	1.5
95.06489	1.0
101.02343	1.4
104.02533	1.2
109.02862	1.8
121.02829	2.4
134.03635	6.9
135.04402	4.7
147.04413	3.7
148.01624	1.4
148.05205	13.3
149.31767	0.8
152.87901	1.0
159.04404	1.3
160.05193	4.8
163.07568	3.3
175.07552	4.7
176.01036	5.6
177.01866	7.6
177.09142	20.5
178.09424	1.2
189.01903	1.1
189.09175	6.9
191.05588	1.5
193.08646	14.1
201.01862	1.6
201.09122	1.2
203.10716	100.0
204.11037	5.9
229.01534	1.5
229.18098	1.1
232.31902	1.1
297.11053	1.3
383.18619	45.5
384.19067	5.1
407.17157	2.4
469.22275	10.1
470.22583	1.7
587.24799	5.1
631.27399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14899	0.8
54.67464	0.9
59.01253	1.7
69.62832	5.7
71.01250	1.2
79.05421	1.1
84.83825	0.9
96.95910	1.8
107.04915	0.8
109.02814	2.2
121.02866	1.6
129.07115	1.0
133.02841	1.0
135.04404	2.6
157.02895	0.9
159.04428	3.1
161.02332	2.6
161.05974	1.1
173.02380	1.0
177.09105	1.0
183.04463	1.5
191.05545	6.4
192.05884	1.5
201.11194	1.1
207.08093	0.9
215.34569	0.9
223.07637	2.3
239.03551	1.3
240.04276	3.7
241.05092	3.5
249.05580	0.9
249.09196	1.1
251.10776	1.4
252.04272	1.5
253.05017	2.5
253.08777	2.8
265.05078	1.1
267.06635	1.8
268.03796	4.3
269.04486	2.0
279.06546	1.6
280.03848	1.3
280.07315	1.2
281.04565	2.3
281.07986	1.4
291.06616	15.4
292.07114	2.1
293.04608	1.1
295.09772	18.9
296.10202	2.0
305.08252	2.7
307.09753	34.5
307.19153	0.9
308.10059	3.1
323.09247	100.0
324.06140	1.8
324.09814	17.1
325.10486	1.0
337.10825	1.2
363.12503	1.6
482.33487	1.1
613.18604	3.7
631.19818	9.9
632.19733	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86952	2.1
52.47922	2.4
54.05520	2.6
56.31856	2.3
59.01255	77.0
66.19278	2.7
67.01767	6.1
69.53853	15.9
69.54262	3.8
71.01246	9.3
85.02807	12.3
85.90648	2.7
87.00748	5.3
89.02326	8.1
90.26955	2.8
93.03336	26.3
96.95891	6.4
98.20441	5.3
99.00706	2.1
101.02361	3.5
108.02091	2.6
109.02831	6.5
111.00787	5.5
111.04426	3.6
121.02821	2.7
129.52734	2.7
133.02875	6.4
133.04964	31.7
134.03694	2.9
135.04420	82.1
136.04668	3.5
137.02321	11.2
140.93806	2.6
149.02280	2.6
151.03909	3.4
152.01062	2.8
153.01804	4.6
155.03413	4.2
161.02390	12.4
163.03931	3.7
165.01840	30.2
166.02399	2.8
168.04187	3.6
173.04485	43.8
177.01843	3.4
179.03442	100.0
180.04216	24.0
183.06554	10.2
191.05551	82.6
192.05949	5.6
194.05736	3.6
195.06552	43.8
196.06927	2.8
203.55168	2.9
210.05324	5.2
225.07658	55.6
233.04477	5.1
234.79060	2.7
247.13272	3.9
247.31776	2.5
253.04912	5.7
297.16046	2.6
323.07581	5.6
331.08066	5.3
341.08780	9.1
346.10611	8.5
353.08716	7.7
361.12946	36.5
362.13406	5.1
395.72864	2.9
409.15036	30.7
413.10757	4.0
422.41821	2.5
439.12527	8.0
457.13553	27.1
497.12695	3.1
631.18622	40.8
632.19434	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07093	0.7
58.71558	0.6
59.01257	1.9
65.03819	0.7
67.01756	1.0
69.70302	4.7
71.01257	3.9
76.03325	0.7
80.91541	0.9
85.02833	5.7
87.00774	4.2
89.02325	2.7
93.03337	9.0
96.95895	3.3
105.53725	0.6
108.83678	0.6
109.02795	1.0
111.04405	2.4
127.03935	1.6
133.02841	2.1
133.04962	12.4
134.03658	1.5
135.04414	50.0
136.04770	1.5
137.02385	1.3
155.03386	1.3
159.04362	0.8
161.02347	5.7
165.01730	0.7
173.04492	5.5
178.02731	0.9
179.03423	48.1
180.03818	1.9
191.05542	100.0
192.05823	3.6
195.06639	0.9
206.16106	0.7
225.07561	0.6
229.26857	0.8
323.07791	2.6
330.17508	0.8
335.07568	1.0
341.08768	3.9
353.08783	13.4
354.09546	0.7
367.93549	0.7
457.13617	9.2
497.13120	3.9
515.14105	1.7
631.18793	28.0
632.18713	4.8
644.72137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01245	3.0
67.01771	0.8
69.57572	1.5
69.57996	2.0
71.01245	3.0
81.03407	0.4
83.04897	0.7
85.02821	12.0
87.00743	3.3
89.02314	2.4
89.55900	0.4
93.03333	6.3
109.02833	2.2
111.00766	0.6
111.04414	1.5
113.02336	1.8
127.03914	3.6
133.02850	7.1
133.04962	8.3
134.03574	0.6
135.04416	11.0
137.02347	1.6
144.93892	0.5
155.03407	0.5
157.04953	2.1
160.01501	1.2
161.02357	25.7
161.05965	0.8
162.02670	1.4
163.07513	0.5
165.01805	0.5
171.02858	0.9
173.04492	2.8
177.05478	0.5
179.03416	9.1
180.03963	0.6
189.05501	2.0
191.05536	100.0
192.05962	2.7
195.06570	0.5
205.05013	3.4
233.04518	11.8
233.08035	1.0
234.04793	0.7
249.07751	0.6
277.07178	10.6
278.07452	0.6
295.08096	0.7
305.06668	1.2
323.07440	0.7
337.09506	0.8
353.08905	2.8
379.10043	0.6
395.09784	7.8
439.12436	30.8
440.12585	2.4
457.13568	3.3
497.12955	1.5
502.58490	0.6
505.97165	0.6
631.18750	19.6
632.19043	3.3
649.10406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66177	0.5
59.01261	2.7
62.48274	0.6
67.01735	0.9
71.01259	3.5
71.58510	1.0
73.02826	0.8
73.63583	0.6
76.08262	0.5
83.01248	0.6
83.04923	0.8
85.02828	12.1
87.00746	3.9
89.02316	2.1
93.03347	5.5
96.95860	2.8
96.96882	0.7
99.04433	0.8
101.02313	0.9
106.77012	0.6
108.02067	1.0
109.02818	1.9
111.04408	1.8
113.02353	1.7
123.04373	0.7
127.03898	3.2
133.02829	7.0
133.04962	6.9
135.04424	11.0
137.02335	2.3
152.01071	1.1
153.01859	0.7
153.60800	0.6
154.23370	0.5
157.04958	1.6
159.16830	0.5
161.02357	25.7
161.04495	1.2
161.05907	0.7
162.02725	1.3
170.63266	0.7
171.02875	0.8
173.04468	2.7
179.03423	6.9
189.05516	1.5
191.05544	100.0
192.04112	0.6
192.05838	2.6
203.03363	0.7
205.05067	2.8
227.14331	0.6
233.04526	12.5
233.08134	0.8
249.07661	0.9
271.06073	0.7
277.07190	6.7
305.06570	1.7
337.09332	0.9
353.08759	2.4
395.09799	5.6
433.11707	0.6
439.12479	17.1
440.12488	1.1
457.13477	1.2
497.12967	1.8
538.88544	0.6
631.18799	32.0
632.19086	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.1
59.01254	5.7
67.01756	4.1
69.03347	1.0
69.57274	2.2
69.57694	2.1
71.01254	9.7
72.18357	0.6
73.02837	0.7
81.03340	0.9
83.02427	0.6
83.04866	0.9
85.02348	0.6
85.02820	3.6
87.00762	4.9
87.04395	0.7
89.02325	6.1
93.03339	24.2
96.95901	1.1
99.04414	1.1
101.02364	0.6
107.04897	0.8
109.02857	2.8
111.00779	2.3
111.04420	4.2
113.02375	1.0
127.03906	1.4
130.08669	0.8
132.02110	0.6
133.02870	2.5
133.04965	29.2
134.03667	3.6
134.05290	1.2
135.04419	100.0
136.04762	2.7
137.02348	5.2
149.06047	0.6
152.01161	0.8
153.01787	1.3
155.03371	3.7
159.04390	0.6
161.02316	5.5
163.03893	0.7
165.01849	1.7
173.04478	44.5
174.04774	0.9
178.02667	1.1
179.03426	98.3
180.03796	4.6
191.05548	28.8
192.05896	1.2
195.06549	1.5
203.03343	0.7
216.34383	0.6
221.04498	1.1
225.07668	2.9
233.04478	1.5
249.39433	0.6
277.07031	0.5
297.09891	1.0
323.07736	9.8
335.07611	1.4
341.05029	0.8
341.08820	12.7
342.09195	0.8
346.10754	0.7
346.86758	0.6
353.08817	8.1
361.12888	1.9
390.14240	0.7
394.00235	0.7
395.09641	0.9
409.15118	0.9
413.10760	3.1
439.12384	2.0
457.13519	43.8
458.13998	4.3
469.16995	0.8
497.12927	2.2
515.14215	3.4
587.16254	1.3
631.18787	32.4
632.19183	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30344	0.1
59.01241	0.3
71.01251	0.3
75.60719	0.1
79.95615	2.8
96.95892	100.0
97.95825	0.2
101.02338	0.2
108.02055	0.2
111.00790	0.2
114.93300	0.3
117.53239	0.1
121.02744	0.2
125.12845	0.1
135.04442	0.2
153.01805	0.1
191.05571	0.5
199.29805	0.1
227.03397	0.3
229.05103	0.2
255.02919	0.7
281.56866	0.1
284.03232	0.8
285.04068	0.8
489.10721	0.7
631.26202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18641	0.3
57.03329	0.4
59.01254	2.1
60.74619	0.4
67.01773	0.7
69.03313	0.4
69.34087	3.5
71.01257	3.2
72.67941	0.3
73.02822	0.6
81.03326	0.7
83.04900	0.5
85.02830	12.0
87.00751	3.7
89.02320	1.8
93.03342	5.1
96.95897	0.7
99.00807	0.4
101.02275	0.5
108.02042	0.8
109.02854	2.3
111.00764	1.6
111.04400	1.4
111.13384	0.4
113.02341	1.7
117.03330	0.8
127.03907	2.9
128.90143	0.4
132.02037	0.5
133.02875	5.9
133.03868	0.7
133.04971	8.9
134.03636	0.6
135.04430	10.2
137.02348	1.5
145.02946	0.4
148.06773	0.3
153.01926	0.3
155.03389	0.4
157.04965	1.5
160.01517	0.7
161.02370	25.8
161.05917	0.7
162.02734	1.1
165.05476	0.6
171.02878	1.2
171.04274	0.3
173.04590	2.1
174.03114	0.4
175.03835	0.5
177.05493	0.7
178.00951	0.3
178.02573	0.4
179.03433	7.8
189.05492	1.3
191.05553	100.0
192.05879	3.7
205.05014	3.2
221.04335	0.4
233.04532	13.4
233.08228	0.9
234.04793	0.6
249.07632	1.2
277.07175	8.0
278.07516	0.6
293.06702	0.7
295.08264	0.8
305.06668	1.1
323.07690	1.1
337.09198	1.2
341.08801	0.5
353.08713	2.2
395.09842	4.5
439.12439	18.6
440.12997	1.7
457.13345	2.0
497.13257	1.6
515.13959	0.5
631.18793	31.6
632.19049	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20197	0.6
54.47500	0.5
57.50991	0.6
58.02852	5.6
59.01250	6.8
61.98686	0.5
63.07432	0.5
69.03326	0.6
69.44683	0.5
70.02825	0.9
70.92494	1.3
71.01247	3.2
72.00792	1.2
74.02345	10.9
78.95734	0.6
82.02831	0.9
85.02821	2.0
86.02355	4.5
86.05980	0.7
86.98984	1.2
87.00745	1.1
87.05511	3.4
88.03941	0.8
88.81290	0.5
89.02317	1.8
90.00060	1.2
93.03336	2.3
96.95892	9.0
97.03954	1.8
99.04929	0.9
99.05526	11.3
101.02303	1.9
101.07079	1.8
102.05475	1.3
105.67850	0.6
107.06027	0.9
108.02059	0.8
109.02837	1.7
109.03953	2.1
109.07614	0.5
111.05501	0.9
112.03942	2.0
113.02318	1.0
113.07002	0.6
115.65936	0.5
116.01637	1.3
119.03359	1.0
121.02855	0.9
123.05530	0.6
124.03899	0.6
127.05027	1.6
128.03435	30.4
131.04527	0.6
135.04405	3.1
135.05539	2.9
136.04752	0.8
137.02327	0.9
137.07079	0.8
141.06624	3.4
143.04535	38.8
144.04854	0.9
145.06084	2.0
146.04510	3.2
148.51263	0.5
149.07100	0.6
153.05519	0.7
153.06612	2.8
156.90408	0.5
160.00656	12.9
166.09784	2.4
167.04517	2.8
167.08167	1.5
173.04491	2.3
177.01935	0.9
177.03278	4.9
177.07408	0.6
179.04596	6.9
181.06267	1.0
185.05618	2.0
191.05563	9.4
192.05911	2.4
192.07549	0.7
197.05666	1.7
198.08781	1.0
210.08823	7.6
219.06587	0.8
231.04524	0.6
239.11787	0.6
242.07788	0.9
254.07808	11.7
272.08884	19.9
272.85849	0.5
273.09381	0.7
288.06604	5.8
289.07047	0.7
290.14780	0.7
306.07660	100.0
307.07971	6.3
385.82401	0.6
418.67972	0.5
468.19470	1.5
544.54431	0.6
567.04865	0.6
630.25427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	6.1
59.01252	6.4
61.98719	0.9
65.00177	0.5
66.03347	0.9
66.43042	0.5
67.01744	0.7
69.03311	0.8
71.01250	2.8
72.00776	0.9
72.99191	0.6
73.02813	1.4
74.02348	12.8
78.95796	0.6
79.73371	0.5
79.95573	0.6
82.02856	1.3
83.04894	1.0
85.02842	1.6
86.02351	4.1
86.98969	0.9
87.00742	1.1
87.05511	3.1
88.03930	0.6
89.02319	1.9
90.00072	1.6
93.03345	3.6
96.95892	4.1
97.03943	1.4
99.05520	9.8
101.02319	1.5
101.07065	1.8
102.05508	1.3
108.02069	0.9
109.02851	2.0
109.03980	1.6
109.07597	0.6
110.02326	0.6
111.00716	0.6
111.05535	0.9
112.03932	1.5
113.02355	0.8
113.03448	0.7
113.07084	0.8
116.01669	0.8
118.97921	0.6
119.03345	0.6
119.04921	0.6
121.02827	1.0
122.03632	8.9
123.03938	0.7
123.05517	1.2
124.03897	0.8
125.02522	0.7
125.03465	2.0
127.05039	2.5
128.03435	30.3
129.03815	0.8
131.04491	0.8
135.04407	3.7
135.05553	2.7
135.08035	0.6
136.04852	0.4
137.02347	2.4
137.06044	0.6
137.07114	0.7
141.06616	2.7
143.04532	40.0
144.04884	0.9
145.06100	1.8
146.04501	4.1
150.06779	1.1
151.07568	10.8
152.07901	2.2
153.01851	1.1
153.06613	2.6
160.00642	11.8
160.01872	1.0
161.02373	0.6
163.03847	0.8
163.07507	0.6
165.05464	0.8
165.28047	0.6
165.48785	0.5
166.09741	1.9
167.04573	4.1
167.08194	1.3
171.07787	1.0
173.04453	2.8
174.01485	0.6
177.01935	1.0
177.03333	3.8
177.05496	0.9
179.03259	0.9
179.04573	7.9
181.06110	1.0
184.10889	1.0
185.05644	2.0
191.05544	9.2
192.05934	1.4
192.07629	0.9
197.05684	1.2
198.08751	0.6
201.11275	1.1
210.08809	8.0
242.07797	0.9
254.07826	10.9
272.08887	21.4
273.09207	1.4
274.80939	0.6
288.06589	7.5
289.06726	0.6
291.11380	0.7
292.11798	0.7
306.07660	100.0
307.07901	4.9
316.42746	0.6
399.03610	0.6
418.47226	0.7
467.33731	11.9
468.34097	19.9
469.16379	2.6
469.34244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20342	2.3
59.01249	39.8
65.00194	2.3
68.99666	3.7
69.35432	9.2
69.35867	9.8
71.01254	38.0
72.99175	17.4
73.02814	7.4
75.00744	2.6
78.95767	2.8
79.07321	2.2
83.01270	4.1
83.04903	3.2
85.02810	10.0
87.00758	7.3
89.02317	9.4
93.03321	11.4
95.01280	2.8
96.95892	14.4
97.06475	2.6
98.19778	3.6
99.00759	11.1
101.02315	10.4
108.02064	6.7
109.02821	11.6
109.99983	12.2
111.00769	2.8
112.04562	2.0
113.02314	6.1
113.22564	2.2
113.99480	6.1
119.03398	3.7
121.02782	5.0
123.04438	3.5
124.98707	9.3
125.02347	5.0
127.00231	2.1
134.03636	2.1
135.04388	15.6
137.02357	8.6
137.99548	12.8
141.98930	3.1
149.02356	3.9
150.03043	3.3
151.00317	6.0
151.03957	4.8
151.07585	3.6
152.01033	8.8
153.01868	7.3
154.99770	5.0
160.63068	2.3
161.02364	4.2
161.09602	5.1
163.03928	3.4
164.04651	3.7
165.01857	4.4
165.05418	2.3
167.03444	2.4
171.10179	6.4
173.04486	14.5
174.01631	4.2
175.03893	6.3
177.01840	6.1
177.09088	3.6
178.99765	2.3
179.03398	3.8
185.11758	3.5
187.03877	2.3
191.05544	33.4
192.04231	3.3
211.13371	2.2
217.08705	2.8
229.05095	2.5
269.01044	2.1
277.05603	2.3
289.07980	2.4
305.04639	3.3
305.21310	4.0
313.17892	2.2
331.18967	3.6
336.06796	3.3
349.20245	4.5
353.08469	2.6
357.30505	2.1
369.20734	2.9
373.26163	2.2
389.19736	28.5
391.21268	4.9
419.03888	2.3
431.20706	100.0
432.20871	14.8
446.13043	4.7
449.21719	8.6
467.33774	6.0
511.25488	32.2
512.26025	7.5
569.26111	7.8
593.25488	11.0
629.31445	10.1
630.32581	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81575	2.3
59.01253	39.2
69.37174	19.0
71.01249	11.6
72.99181	2.6
73.02818	2.7
78.95756	3.3
79.88065	2.4
79.97087	2.5
83.04930	2.3
83.18054	2.2
83.40255	2.3
84.04376	2.0
85.02827	7.4
87.62952	2.4
88.47971	2.1
88.98641	2.2
89.02319	4.1
93.03346	9.1
96.95883	16.2
96.96858	2.8
99.00793	3.3
101.02329	8.1
109.02860	7.7
110.05997	5.7
113.02297	7.3
114.60735	2.3
121.02843	4.1
122.06014	23.9
123.04436	2.6
133.02844	2.5
134.05971	16.1
135.04411	11.9
137.02361	6.7
139.18224	2.3
151.07489	3.1
160.06366	7.3
161.04678	3.4
162.05530	2.8
163.03870	2.4
173.04480	10.1
173.05901	3.0
174.05478	13.0
179.03400	3.9
191.05539	16.9
197.07086	2.6
205.89468	2.8
213.10283	39.7
215.07033	2.8
223.08713	3.0
225.10320	4.4
226.11201	4.1
239.11819	22.8
241.13435	14.6
242.13811	4.0
251.11864	4.1
262.13217	2.4
275.11710	2.6
283.10861	7.4
285.12439	100.0
286.12930	5.4
293.12982	10.4
301.11920	7.3
328.11072	2.9
341.11569	3.4
343.13193	7.3
344.14072	2.7
354.16019	6.5
356.14120	18.5
357.14386	5.5
368.17639	5.8
369.14526	3.0
370.15637	26.6
371.16034	4.7
372.17169	14.2
384.13251	4.2
389.13763	3.1
389.19403	5.0
397.14050	4.5
398.15042	17.8
403.15317	7.2
412.16562	11.6
413.17365	9.5
431.20728	8.2
449.21628	3.1
457.15457	2.8
485.25552	6.3
491.24420	4.8
493.22409	10.4
511.23611	17.6
512.23688	2.9
523.23517	8.2
535.23511	29.9
536.23297	3.2
553.24573	61.5
554.24768	10.7
556.23267	9.1
579.22516	7.3
597.23566	67.1
598.23743	11.1
629.15100	3.9
629.25879	32.9
629.37299	4.4
630.26208	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90379	0.9
59.01253	14.3
66.67706	0.8
69.95289	0.9
69.95617	4.9
72.37415	1.0
94.06494	1.7
96.95890	1.1
110.06004	7.2
120.04446	0.9
120.08088	2.8
121.05226	2.8
122.06006	24.6
130.06573	1.9
132.03058	0.9
134.06006	8.6
144.04390	2.5
151.00298	1.5
160.06329	6.6
161.04642	2.0
162.05534	1.3
173.04575	1.2
174.05556	8.6
178.99887	1.3
190.14801	0.9
191.05602	1.5
197.07155	1.7
203.05807	2.2
203.11832	1.5
213.10291	36.0
214.10603	2.5
215.11842	2.1
223.08862	1.2
224.09230	1.2
225.10361	2.7
226.11121	2.6
233.12781	1.0
236.09625	1.5
237.10362	1.4
239.11853	17.4
240.12204	1.6
241.13438	18.5
242.13805	1.8
251.11880	3.8
269.00922	1.3
271.10648	1.2
276.08881	0.9
277.09821	1.4
281.09381	1.2
283.10947	3.9
285.12448	100.0
286.12808	8.6
291.11499	2.1
293.12973	6.8
294.13321	1.2
301.11902	6.2
311.10483	2.2
313.12161	1.0
315.13596	1.2
325.11807	1.5
328.10895	4.2
337.07669	1.6
340.11090	1.2
341.11679	1.7
342.12323	1.2
342.16223	1.3
343.13092	7.8
344.13770	1.9
344.17725	3.0
345.18161	1.2
346.18973	1.0
354.12305	1.5
354.16171	2.6
355.13208	2.4
356.14017	8.8
357.14474	1.6
358.15543	1.4
368.17691	2.8
369.14496	2.4
369.18610	1.4
370.15588	18.4
371.16296	5.6
372.17184	6.5
380.55124	1.3
381.05429	0.9
382.11884	2.1
383.12570	1.7
384.13388	2.7
384.17603	2.1
397.14117	2.0
398.15018	16.2
399.15497	2.1
401.55435	1.6
403.15549	5.0
412.16574	11.9
413.17395	8.9
414.17587	1.1
416.16336	1.5
445.16440	1.3
457.16220	1.6
481.22366	1.6
485.25540	3.7
491.24609	1.4
493.22488	6.0
511.23462	13.4
511.30508	1.5
512.23718	3.6
523.23602	5.9
527.15637	1.3
535.23517	25.3
536.23676	4.7
553.24567	58.0
554.24817	11.6
556.23260	2.2
557.23730	1.5
579.22467	8.2
580.22687	2.2
585.26135	1.1
597.23560	62.4
598.23871	12.8
611.25153	2.8
629.26135	20.0
630.26172	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.3
59.01513	0.4
66.00085	0.5
71.01261	1.4
71.02882	0.5
71.57983	0.7
71.58347	0.6
75.23620	0.4
78.95779	11.9
79.95607	3.7
85.02833	0.5
90.97002	0.4
93.03332	0.8
95.04881	0.8
96.95895	100.0
96.96815	18.4
101.02333	0.6
109.02882	0.7
118.96528	0.7
135.04428	1.8
152.99506	0.5
173.04425	0.9
189.00775	0.6
191.05621	2.4
200.53670	0.4
253.09299	1.4
291.03952	2.4
293.21222	3.9
306.24399	0.5
325.04764	0.5
335.02936	1.1
351.06210	2.9
354.09875	1.6
363.08780	1.0
374.86002	0.5
391.17941	0.6
473.12268	1.1
530.16766	0.8
599.78485	0.5
627.37512	1.0
627.70929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84344	1.3
57.03317	3.2
58.00465	1.9
59.01252	100.0
61.65007	1.2
69.71391	4.2
69.71803	4.8
71.01254	45.5
72.99167	4.1
73.02840	1.6
73.49552	1.8
83.01270	1.6
85.02827	8.8
87.00752	3.8
89.02321	53.3
95.01244	3.2
98.20448	2.1
101.02316	18.5
108.11897	1.3
108.47591	1.3
109.02877	1.5
111.00771	1.8
113.02321	16.4
119.03385	21.4
122.33515	1.5
125.02354	2.5
131.03413	2.8
141.85530	1.6
143.03413	5.1
149.09595	2.1
159.12047	1.5
161.04433	7.5
165.01839	6.6
179.03757	2.8
179.05513	27.3
179.06978	2.8
180.04219	1.7
181.93170	1.5
195.06503	3.8
243.48509	1.4
259.96805	1.7
331.85641	1.4
394.25134	1.9
405.21252	2.5
567.26508	13.3
614.08929	1.7
627.19244	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23210	0.8
59.01243	1.3
60.44819	0.8
63.44229	0.8
69.87710	2.3
69.88144	3.1
71.01251	10.8
78.95778	1.4
93.03320	1.3
120.90317	0.7
121.10115	2.0
125.09592	2.8
125.99232	3.6
135.20071	0.8
155.89653	0.9
165.01581	5.1
171.10141	3.6
172.10515	1.0
173.04489	1.2
191.05646	2.0
193.04794	1.2
193.08405	1.8
221.07866	4.3
222.08687	100.0
223.08975	4.3
236.10301	2.2
254.07672	11.9
256.82645	0.8
275.20236	5.5
276.20309	1.5
277.21390	1.3
293.21255	7.0
294.21600	2.0
295.21857	1.2
311.22305	13.1
320.32135	0.8
333.20465	99.4
334.20755	9.2
384.00421	1.0
405.21872	1.0
465.65735	1.0
516.29468	1.5
627.40967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10327	1.5
55.05566	1.3
59.01245	4.2
65.54852	1.3
69.72438	1.3
71.01259	1.7
71.18583	2.5
78.95779	1.6
79.00305	1.3
80.32390	1.3
84.49580	1.4
90.87650	1.4
93.03333	2.4
96.95893	1.8
104.90166	1.3
110.05992	4.9
122.06030	1.7
123.04397	1.8
125.43627	1.4
134.05992	4.4
135.04398	2.0
137.02344	2.8
149.30380	1.6
153.01759	1.6
191.05522	4.7
219.06659	1.4
219.95799	1.4
226.10367	1.3
256.55917	1.6
285.12122	2.0
289.09573	3.2
328.10953	1.4
340.10931	4.2
340.14676	3.1
352.11017	3.3
353.12210	3.3
354.12320	3.5
355.12952	1.8
356.14148	12.8
366.08481	2.3
366.12451	9.3
367.09656	3.7
368.14059	16.0
369.14316	2.0
370.15695	7.4
371.15784	1.6
380.10236	20.6
381.10913	9.5
382.11710	2.8
382.15710	18.9
383.12036	2.1
383.16135	4.6
384.17267	6.1
394.11935	4.1
395.12689	6.8
396.13522	100.0
397.13959	15.5
410.15018	20.0
411.15833	55.0
412.16440	13.6
413.13956	3.8
414.14572	8.3
415.15024	3.5
442.17697	12.1
443.14325	15.6
455.14822	33.2
456.15131	4.4
475.17377	5.0
487.17648	3.7
503.07071	1.6
521.21936	6.9
533.21936	16.2
534.22028	2.7
551.23004	71.0
552.23438	12.3
553.24561	6.1
565.24768	20.2
566.24615	4.4
583.16394	2.4
583.25647	49.8
584.26038	8.9
595.12531	1.7
595.21948	41.5
596.22589	10.4
627.24658	46.1
628.24805	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14008	0.8
54.97808	0.9
59.01250	16.5
67.01737	0.9
68.40534	0.8
70.27219	3.0
71.01241	2.3
80.91568	1.4
85.02813	1.1
89.02305	1.0
91.16165	0.9
92.04920	1.0
93.03355	2.1
96.95904	0.8
101.02318	1.8
106.06527	1.5
108.02034	1.6
109.02867	2.1
113.02290	1.7
120.04430	1.6
120.08074	2.0
121.02861	1.8
121.05202	3.7
121.39716	0.8
122.06004	13.6
123.04397	5.7
134.06009	5.9
135.04420	4.2
137.02303	1.5
149.02328	1.2
151.03886	3.2
153.01791	2.0
159.04391	1.0
160.06343	7.6
160.94057	0.8
161.02356	1.7
173.04448	1.5
177.01822	2.3
177.05563	1.0
191.05540	5.2
195.02954	4.5
197.07175	1.5
198.07901	1.2
201.10254	10.7
213.10266	37.0
214.10622	1.9
223.08743	1.2
225.10262	4.1
226.11038	2.7
239.11830	13.3
240.12210	1.3
241.04982	2.6
241.13446	16.6
242.13669	1.1
251.11867	1.5
253.09601	1.3
267.07492	0.8
282.10071	1.3
285.12448	100.0
286.12775	6.8
293.04630	1.1
293.12915	2.7
299.10403	1.1
309.20685	1.8
311.10309	2.6
315.07132	2.5
316.07355	1.6
317.07584	1.4
320.52518	0.9
328.43512	0.9
341.11340	6.8
356.14322	0.9
357.07578	4.7
358.07568	0.8
369.14676	1.4
387.12085	1.9
390.62799	0.9
415.07983	0.8
429.13342	1.1
431.11356	1.7
435.13959	1.1
449.16306	3.4
450.16577	0.9
463.17374	1.7
464.18582	1.3
465.19196	5.3
479.21054	3.9
480.21329	1.8
483.23938	2.0
494.20132	1.0
495.20386	1.9
507.23764	3.6
508.24722	1.0
509.12735	2.7
509.21881	13.1
510.22272	3.3
521.21857	2.5
551.22986	61.5
552.23224	10.3
554.21552	7.1
555.22089	1.8
583.25806	1.4
595.22028	20.7
596.22278	4.1
627.24292	11.1
628.25055	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01209	0.7
67.87267	0.5
70.63673	1.0
73.02817	1.5
90.82091	0.6
191.05528	1.3
208.45189	0.5
222.08545	0.7
293.21262	1.0
333.20734	0.6
411.27454	0.5
437.12582	1.9
438.13269	1.7
451.14322	1.6
452.14816	5.6
466.16739	0.8
475.05490	0.6
481.14957	9.9
482.15439	2.4
493.15167	2.1
494.15652	1.3
495.16742	20.8
496.16803	4.2
507.16959	0.9
508.18121	3.4
509.18164	1.8
512.13574	1.3
519.15942	0.6
521.14301	0.9
522.15192	0.9
523.15961	0.5
523.20306	0.8
526.14685	1.6
535.16083	2.9
536.16943	3.3
537.17773	0.7
539.16302	0.8
540.17059	3.6
544.15912	1.0
551.19336	46.4
552.19635	9.9
554.17993	1.0
555.18671	2.1
568.16071	1.7
572.15442	2.9
586.17120	2.2
595.18329	9.5
596.18573	2.2
627.20911	100.0
628.21198	22.1
637.31445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	78.5
69.03297	2.6
69.53439	11.8
69.53851	4.7
71.01258	14.1
72.99202	3.5
75.00758	2.6
79.28724	1.9
85.02831	4.8
87.00766	5.3
88.98700	5.1
89.02327	8.7
93.03349	6.2
96.95918	2.6
97.02848	2.1
98.19811	4.3
101.02322	9.0
108.02047	3.9
109.02840	5.8
111.00793	2.7
112.38843	2.1
113.02320	4.5
119.04983	2.2
121.02881	9.5
122.03659	3.9
125.02325	7.2
135.04436	14.5
136.01576	2.8
136.04848	3.4
137.02304	7.4
147.04424	2.0
149.02348	30.3
150.03137	54.3
151.00291	3.7
151.03880	3.3
152.01050	4.4
153.01845	6.7
161.02367	8.8
161.05968	8.1
162.06302	3.7
164.04735	6.8
165.01820	3.2
165.04106	4.4
165.05493	80.8
166.05838	5.1
173.04437	5.8
176.04704	3.9
176.53366	2.1
179.03391	11.0
179.05568	2.5
179.07045	6.3
180.04175	9.6
191.05602	13.2
191.07112	3.6
194.05763	17.0
195.06566	100.0
196.06877	5.0
205.12277	2.7
209.08147	38.6
210.08458	2.6
211.13510	2.0
223.13409	4.3
229.14404	11.7
242.05724	2.3
243.06198	2.1
267.12192	4.7
281.33154	2.0
285.13580	3.3
297.06158	7.0
302.03580	2.9
302.10965	2.4
311.05762	2.9
342.10977	5.3
353.52905	2.1
357.09372	3.6
357.13470	44.9
358.13776	4.5
405.11105	3.3
405.15958	13.8
406.16058	4.0
415.14615	2.5
447.18594	8.5
453.12280	2.5
463.08459	2.7
463.16330	3.8
465.10089	3.4
465.16809	5.8
473.10950	4.7
530.04980	2.1
627.14752	2.7
627.24066	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.4
60.45258	0.7
67.01758	1.0
69.48913	1.8
69.49323	4.9
71.01248	4.2
73.02850	1.0
78.53286	0.7
79.62154	0.9
81.03335	2.1
81.55063	0.7
85.02819	3.8
90.89574	0.7
91.01788	1.5
93.03326	3.1
95.01258	3.2
96.95892	1.7
98.05650	0.7
99.18478	0.8
101.02322	3.3
102.55503	0.8
107.01263	1.2
108.02055	61.8
109.02847	30.5
109.74490	0.8
110.03172	1.2
111.00770	1.0
113.02303	2.7
114.18961	0.8
121.02844	1.6
123.00793	4.0
123.04422	6.9
124.01595	1.1
125.02312	2.8
135.00777	2.0
135.04398	1.1
137.02287	1.0
149.02322	1.9
150.03011	1.0
151.00267	2.9
151.03864	1.8
152.01059	68.4
153.01848	35.6
154.02156	1.2
163.03912	1.7
165.01826	2.1
166.02608	2.4
167.03418	20.5
170.82297	0.9
179.03375	1.4
181.05003	1.0
191.05522	3.4
195.02914	1.5
205.96616	0.8
225.07460	1.1
296.05560	1.9
297.06265	7.1
311.07751	10.6
315.07190	3.1
421.11301	3.6
433.07611	2.3
465.10373	100.0
466.10629	8.4
507.11557	3.6
508.11719	0.9
627.15625	32.3
628.15869	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48072	1.4
59.01251	34.0
65.03834	2.2
67.01739	2.1
67.81698	1.3
69.61182	11.5
71.01259	4.1
85.02806	2.5
87.00737	2.0
91.01772	30.1
96.95899	2.8
101.02325	2.3
108.02061	5.7
109.02832	32.5
111.00810	1.7
123.04408	4.6
125.02248	2.2
133.02864	1.7
135.00777	87.7
136.01120	1.9
137.02374	6.3
139.17892	1.4
149.02310	2.7
152.01097	6.3
153.01840	100.0
154.02206	3.4
165.01857	8.8
173.04556	1.7
175.03900	3.5
177.01834	4.4
179.03430	2.8
180.04219	4.3
191.05568	4.6
195.06633	7.2
210.05304	2.1
225.07669	5.3
243.06551	9.6
260.66156	1.5
281.06512	2.2
297.06152	56.6
298.06470	4.8
327.08597	1.7
337.09250	1.8
405.11911	59.2
406.12219	5.6
465.10822	7.2
491.15747	3.4
624.66925	1.9
627.18048	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.9
71.01241	1.0
93.03391	1.2
95.04894	1.6
104.54620	0.8
121.10126	20.7
125.09586	1.7
127.11157	1.4
150.93633	0.8
171.10190	57.9
172.10518	1.4
177.16431	1.0
183.13832	1.1
185.11758	1.8
196.19662	0.8
197.84366	0.8
222.57422	0.8
231.21127	4.3
247.16013	0.9
275.17105	2.0
275.20166	86.1
276.20465	7.4
293.21246	100.0
294.21555	9.8
485.26141	1.8
503.26917	4.3
504.26569	1.1
607.36761	17.5
608.37366	3.0
622.83069	0.9
625.38556	7.5
626.38873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00574	2.6
53.31858	2.6
55.01768	3.4
55.95056	2.6
57.03325	3.5
58.00465	3.0
59.01250	100.0
66.77686	3.0
69.03319	4.2
69.71197	14.8
69.71612	4.7
71.01260	59.0
72.99186	5.6
73.02819	14.3
75.00751	6.0
80.91582	3.2
83.01260	9.3
83.04898	3.4
85.02831	23.3
87.00759	8.0
88.98681	7.4
89.02324	33.3
93.03328	13.8
95.01286	7.3
96.95865	7.7
97.02828	5.0
98.19823	5.6
99.00782	5.2
101.02323	42.4
108.02057	8.7
109.02834	12.5
111.00727	3.1
111.04385	5.0
113.02338	23.6
116.92696	2.7
119.03394	10.1
119.21181	3.4
121.02895	4.7
123.04379	5.0
125.02338	5.9
133.02843	4.7
135.04417	21.1
137.02351	10.5
137.09560	3.4
139.03903	3.3
143.03354	4.7
147.04428	3.9
151.00162	2.9
151.03912	7.1
152.01070	8.7
153.01778	5.4
153.47212	2.7
161.02374	4.6
161.04475	6.6
163.03906	4.7
165.12756	15.2
173.04439	12.8
177.01848	7.3
179.03369	5.6
183.13826	96.7
184.14101	7.1
191.05556	37.0
202.58012	2.8
209.11794	6.7
227.12845	22.1
235.08112	3.2
253.09457	4.4
257.04700	4.4
271.02350	6.9
276.08554	3.1
299.01996	4.0
300.02786	6.7
315.25525	3.0
377.28940	4.4
397.13297	3.9
415.14185	4.1
445.24292	10.0
460.67328	2.9
463.08701	4.3
478.98715	3.4
505.34003	4.7
521.33331	92.3
522.33563	11.4
539.34357	6.2
616.58710	3.7
625.16644	4.3
625.26880	95.3
626.27271	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20128	1.7
52.41457	1.9
55.01741	1.8
55.53698	2.1
56.36764	1.7
57.03321	4.4
59.01252	54.1
67.24285	1.7
68.38830	1.9
69.33385	11.3
69.33810	7.8
69.34058	2.2
71.01254	41.1
72.99172	3.3
73.02802	9.6
83.01254	6.4
85.02836	15.2
87.00748	4.8
89.02317	14.5
93.03324	3.1
95.01261	3.0
95.05875	1.9
97.02803	2.6
99.00761	4.8
101.02324	24.3
108.02037	6.1
109.02846	6.5
112.93190	2.0
113.02336	17.3
119.03386	3.9
123.04366	2.7
125.02332	4.0
128.07382	2.4
134.03627	2.1
135.04414	3.3
137.02312	6.6
143.03406	3.8
151.00346	2.0
152.01080	6.4
153.01883	4.4
161.04485	6.5
165.12767	10.7
173.04477	3.0
177.01848	4.6
183.13831	79.5
184.14246	4.6
191.05548	6.4
192.05823	2.8
202.86850	2.1
227.12875	12.5
235.08180	4.1
253.09203	3.4
315.25293	3.5
377.28857	4.5
397.13510	6.7
403.23306	2.6
415.14633	6.1
445.24796	3.8
503.33267	2.2
521.33276	93.4
522.33740	14.3
539.34430	7.7
625.27069	100.0
626.27362	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03340	0.7
59.01250	28.8
59.77744	0.5
66.65178	0.4
69.03318	1.4
69.27568	5.5
71.01253	18.4
71.56290	0.4
72.99187	1.0
73.02825	2.5
75.00774	0.4
81.03332	0.9
83.01263	1.8
85.02824	3.7
87.00755	4.0
89.02317	14.9
95.01269	1.1
97.02836	2.0
97.06451	0.6
99.00729	1.5
101.02320	14.1
111.08045	1.3
113.02328	5.4
114.02672	0.5
119.03388	3.3
125.02374	2.9
128.14429	0.5
131.03343	0.8
139.03889	0.5
143.03357	2.0
161.04448	2.2
165.12773	9.8
173.04440	0.6
179.05525	1.6
183.13828	77.8
184.14177	4.2
191.05544	0.7
209.11829	0.9
220.16479	0.5
221.06590	1.5
227.12846	10.9
227.15085	0.5
235.08167	1.3
253.09218	0.7
259.21173	0.5
263.07813	0.7
269.77435	0.5
321.07794	0.5
361.28104	0.6
397.13474	9.7
398.13770	1.0
415.14587	5.9
416.14923	1.0
445.20767	0.6
563.05493	0.6
607.26044	0.9
625.27106	100.0
626.27277	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
59.01255	21.6
69.03354	1.1
69.46585	2.1
71.01257	17.3
72.99197	1.6
73.02829	3.4
73.96365	0.5
81.03375	0.7
83.01287	1.4
85.02834	3.1
87.00758	2.0
89.02316	12.7
91.05403	0.9
93.03357	0.7
94.55646	0.6
95.01271	1.3
97.02827	1.5
99.00769	1.0
101.02328	11.5
109.02830	0.7
111.08069	1.2
113.02328	5.4
114.57137	0.6
119.03425	3.4
125.02355	2.0
128.72992	0.6
131.03445	0.8
137.02299	1.0
139.03917	0.7
143.03448	1.5
152.01099	1.5
153.01816	0.7
161.04482	2.0
165.12758	10.0
166.13071	0.8
179.05568	1.4
183.13849	77.9
183.50728	0.5
184.14192	4.7
191.05524	1.9
209.11841	0.6
221.06648	1.2
227.12856	12.9
235.08228	2.2
253.09029	0.7
397.13565	8.5
415.14658	4.4
445.21088	0.7
521.33215	1.3
607.25885	1.2
625.27124	100.0
626.27234	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59413	0.5
55.58810	0.4
58.00458	0.7
59.01253	24.3
59.32446	0.5
68.44635	0.4
69.03308	0.5
69.27884	4.9
69.28298	1.2
71.01254	14.6
72.99183	0.9
73.02814	2.4
75.00739	0.6
80.02534	1.0
81.03330	1.9
83.01251	1.6
83.04904	5.6
84.02032	1.5
85.02837	3.8
87.00752	3.0
89.01762	0.8
89.02320	15.7
93.03336	2.3
95.01262	1.4
95.04926	1.3
96.95891	5.6
97.02811	2.3
99.00758	0.7
101.02321	12.9
101.66993	0.5
107.04906	0.5
108.02030	1.1
109.02834	1.9
110.95415	0.5
111.00800	1.0
111.04413	0.8
112.96322	0.6
113.02334	6.8
119.03389	6.5
119.04857	0.6
121.02818	0.8
123.00809	0.6
123.04379	0.8
125.02348	4.8
125.05943	0.6
131.03325	0.7
133.02800	0.6
135.04424	2.7
135.70259	0.6
137.02336	2.5
139.00211	0.6
139.03961	0.6
141.01846	0.6
143.03421	2.7
147.04485	0.6
151.00281	1.6
151.03893	0.9
152.01100	0.9
153.01808	1.2
161.02362	1.0
161.04459	3.2
161.05782	0.9
163.11179	4.1
165.12701	3.0
167.03430	0.9
173.04494	1.0
175.03903	0.7
177.05486	4.0
178.68707	0.5
178.99803	1.4
179.03387	1.3
179.05566	3.6
181.12251	0.7
191.05496	3.2
191.10698	1.2
209.08266	3.1
209.11771	100.0
210.12109	7.8
221.06541	1.0
227.12833	17.9
228.13156	1.1
235.08118	4.3
243.03008	0.7
253.09169	1.4
255.02876	1.2
255.10190	0.8
257.15424	0.5
263.07861	0.7
271.02512	2.2
277.09253	0.5
278.31766	0.5
283.09851	2.7
287.07788	1.3
295.10266	1.2
299.02051	2.9
300.02872	1.3
301.03412	1.4
305.08801	1.2
316.02267	1.5
323.09885	0.9
389.15781	0.8
390.16394	0.9
391.16827	0.8
397.13504	27.8
398.13983	2.0
415.14551	18.5
416.14743	1.3
445.15094	0.9
463.06793	2.6
625.12433	3.2
625.21893	2.3
626.22748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03336	0.7
58.00458	0.8
59.01253	18.5
67.88387	0.5
71.01255	14.9
72.99188	1.1
73.02825	3.7
80.02542	1.9
81.03323	2.4
83.01270	1.4
83.04898	5.5
84.02024	1.2
85.02823	3.3
87.00755	3.2
88.00245	0.6
89.02316	13.8
93.03319	0.6
95.01266	1.2
95.04910	1.0
97.02837	2.3
98.19743	1.0
99.00788	1.1
101.02326	11.9
108.02033	1.0
109.02817	1.1
111.00774	1.0
113.02338	4.5
114.02664	0.7
119.03380	5.0
125.02342	5.0
125.05965	1.3
131.03380	1.0
135.04459	0.7
139.00366	0.7
143.03423	2.1
152.01070	1.3
161.04474	2.9
161.28149	0.7
163.11237	4.3
165.12708	2.9
169.46693	0.6
174.28064	0.6
177.05516	0.9
179.05479	2.6
181.12321	1.0
191.05598	1.2
191.10779	1.8
209.11784	100.0
210.12151	5.4
210.42995	0.6
221.06715	1.2
227.12849	17.3
228.13190	1.0
229.87146	0.5
235.08186	5.3
253.09229	1.1
263.07813	0.7
271.02386	1.2
276.16492	0.8
287.07693	0.9
305.08795	0.8
323.09848	1.0
388.19989	0.6
397.13522	24.2
398.13895	2.5
415.14575	17.5
555.01331	0.6
579.29413	0.6
626.24463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.7
58.00442	0.8
59.01254	18.2
60.58965	0.7
69.03334	0.8
71.01256	13.3
72.99197	1.9
73.02822	2.5
75.00751	0.8
80.02541	0.8
81.03327	2.0
83.01253	1.5
83.04906	6.6
84.02029	1.3
85.02834	3.2
87.00757	2.7
89.02323	13.7
89.15545	0.7
90.74960	0.6
93.03332	1.6
95.01213	0.8
95.04916	1.0
96.95866	0.8
97.02831	2.5
97.06504	0.7
98.19807	1.1
99.00809	1.2
101.02326	11.6
109.02828	1.1
113.02343	5.4
119.03391	4.1
121.02855	0.7
125.02356	5.1
128.51778	0.7
131.03433	1.0
135.06361	0.7
135.08046	0.8
137.02367	0.9
139.03941	0.8
143.03407	2.9
152.01044	1.7
153.01801	1.2
161.04498	2.4
163.11256	4.4
165.12811	3.3
173.04372	0.8
179.05562	2.1
191.05521	1.7
199.13387	0.9
209.11775	100.0
210.12082	5.8
218.30667	0.6
227.12834	18.3
228.13199	1.9
235.08199	4.2
253.09198	1.5
271.02490	1.3
300.02603	1.3
305.08459	1.2
323.09653	0.8
397.13498	25.0
398.13782	2.0
415.14600	15.9
416.14966	1.1
578.67163	0.7
625.14996	1.6
625.25702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92920	0.9
59.01248	8.4
59.01516	1.5
59.76637	0.8
65.03809	1.0
66.07266	1.1
67.01768	3.7
71.01261	4.4
71.57686	1.2
71.58056	1.2
72.99173	1.1
75.00739	1.4
85.02823	2.4
87.00765	2.8
89.02331	3.2
91.05405	8.7
93.03335	5.0
95.01246	1.0
99.00702	1.2
101.02325	2.1
107.01273	1.0
108.02049	1.6
109.02848	8.4
111.00751	1.0
113.02339	3.1
117.07008	4.3
121.02844	27.7
122.03158	1.9
123.04382	1.3
134.96248	0.9
135.04414	100.0
136.04781	3.7
147.04416	15.5
149.06018	5.3
151.00294	4.6
152.01071	1.4
153.01830	2.0
153.05464	9.0
161.06001	86.5
162.06351	3.9
163.04005	1.1
165.05496	40.6
166.05807	2.2
173.04527	1.1
173.05991	2.0
174.82249	1.0
177.01932	1.5
177.05559	1.1
178.99693	2.7
179.05496	2.3
179.07072	47.4
180.07341	1.5
191.05489	3.6
191.07115	7.1
199.13411	1.4
209.11806	5.5
227.12808	3.0
243.02930	1.7
255.02998	3.1
269.13968	1.8
271.02472	8.8
283.09589	1.3
299.02042	2.5
300.02762	14.6
301.03528	13.0
301.10822	38.1
302.11227	3.3
321.12064	1.1
401.18280	1.1
415.14368	1.3
445.16794	1.2
449.20572	1.7
463.08978	12.6
463.16019	76.3
464.09869	2.4
464.16315	11.2
625.13922	3.8
625.22382	11.3
626.23010	2.2
632.28424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00172	1.6
66.85720	0.9
71.01263	1.8
89.02322	1.3
101.02319	1.3
107.01252	2.2
109.02788	1.6
110.00056	1.4
111.00759	1.9
125.02361	0.9
130.29808	0.9
137.99477	1.2
139.00285	2.2
149.02359	1.0
151.00301	5.1
151.03862	0.9
152.01028	2.4
153.01834	2.3
165.98979	3.6
166.99702	2.3
171.04369	1.5
178.99756	2.5
187.04037	1.2
191.05595	2.2
197.05922	1.3
199.03917	3.7
209.11856	6.1
211.03839	1.3
215.03380	2.7
226.02606	1.1
227.03444	4.9
240.04395	1.2
241.02686	1.7
241.05042	26.5
242.05502	1.6
243.02985	12.9
254.02124	1.5
255.02966	21.1
256.03470	1.9
269.04700	2.0
270.05319	1.6
271.02478	61.5
272.03046	7.7
281.04794	1.4
282.05295	1.7
283.02512	1.3
283.05945	2.6
285.03873	1.2
299.01990	50.0
299.05258	2.4
300.02725	33.1
300.06049	2.4
301.03543	46.8
301.06989	3.6
302.03854	2.3
397.13422	1.5
403.09940	1.7
407.54977	1.0
462.07947	15.7
463.08734	100.0
464.09082	11.4
625.14038	38.7
626.14551	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.3
63.02265	0.9
65.00191	2.4
68.99675	0.7
71.01248	3.6
73.02798	0.9
83.01264	1.3
83.04897	1.2
85.02822	1.5
87.00768	1.4
89.02320	3.0
93.03321	1.3
95.01262	2.3
98.20586	2.8
99.71914	0.7
100.95369	0.9
101.02312	2.5
107.01278	1.8
108.02070	1.6
109.02846	5.3
109.99973	8.8
111.00786	6.9
111.04461	1.0
113.02334	1.8
119.03365	1.2
121.02816	1.0
123.00752	5.0
124.01538	3.5
124.98630	1.0
125.02312	2.1
135.00764	0.9
135.04385	1.5
136.01524	1.5
136.98695	1.6
137.02339	2.4
137.99484	4.7
139.00267	12.3
139.03952	0.9
143.04893	0.9
144.80298	0.8
145.02843	1.0
147.04356	0.9
149.02333	1.3
151.00299	12.2
152.01067	5.1
153.01837	1.5
159.04449	2.0
161.02344	2.8
163.00259	2.8
163.03842	0.8
164.01028	2.7
165.01851	1.0
165.99007	9.7
166.99792	6.2
169.01324	1.2
171.04395	2.0
173.02399	0.9
174.03181	0.9
175.03912	2.4
177.01837	1.2
178.99777	11.7
179.05498	1.1
183.04431	1.9
185.02357	1.4
186.03110	1.1
187.03897	3.2
189.01898	1.7
191.05516	1.4
193.98483	0.8
198.03011	1.0
199.03923	6.4
201.01865	3.6
202.02750	1.1
203.03481	3.6
206.99315	3.0
208.00041	1.0
209.11777	14.4
213.01891	0.9
214.02647	3.7
215.03403	4.5
216.03946	2.0
217.01343	1.3
219.02945	1.0
226.02632	1.5
227.03384	7.9
227.12816	3.9
229.01276	1.3
230.02180	1.2
230.42058	1.0
231.02864	3.9
232.03688	1.1
235.08394	0.9
241.01419	1.4
242.02225	5.0
243.02922	10.0
244.03571	1.8
245.04494	2.3
245.09450	1.0
255.02899	8.7
259.02502	4.9
260.03189	1.0
270.01627	6.2
271.02481	43.1
272.03143	6.2
273.03931	2.9
287.02008	18.7
288.02600	6.9
289.03391	1.5
298.01056	1.6
299.01959	41.9
300.02570	5.2
301.03506	3.7
313.21796	0.8
315.01486	2.8
316.02231	59.1
317.02966	38.9
318.03308	2.6
397.13635	4.4
415.14764	4.1
421.18628	2.6
489.12128	1.0
581.28723	1.1
607.12524	3.8
625.14075	100.0
626.14532	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37323	0.5
65.00199	1.7
65.24085	0.6
71.31591	1.1
75.00737	4.8
92.27036	0.6
107.01268	2.1
117.17940	0.6
120.94656	0.6
121.01175	0.6
121.02853	1.8
128.29158	0.7
135.22624	0.6
141.38318	0.6
151.00285	8.6
163.00301	0.8
171.04449	1.4
175.00308	1.2
175.03891	1.1
178.99690	1.8
199.04031	3.6
201.01875	1.4
201.05508	0.9
203.03387	1.0
215.03423	1.8
226.02722	1.4
227.03397	3.8
243.02940	6.5
255.02890	2.2
270.99451	1.4
271.02475	67.2
272.02780	6.1
299.01965	100.0
300.02573	14.4
301.03510	43.9
302.03940	3.6
343.04434	1.2
428.50955	0.6
462.08017	25.2
463.08807	41.0
464.09128	6.6
505.10205	1.2
625.14099	74.2
626.14459	12.8
643.37292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68004	0.6
65.00198	1.1
69.44779	1.3
105.87544	0.6
107.01271	2.4
108.02036	2.2
121.02846	1.4
148.01564	2.5
151.00269	6.5
163.00294	1.1
164.01108	0.9
178.99815	5.8
198.03148	0.8
199.03960	2.0
201.16286	0.6
211.03969	1.2
215.03481	1.3
216.04218	0.9
226.02649	2.8
227.03448	4.1
243.02936	16.6
244.03479	1.3
254.02196	2.3
255.02979	36.1
256.03381	2.4
264.89963	0.6
271.02475	78.3
272.02921	8.7
299.01822	3.6
300.02744	100.0
301.03320	18.4
302.03732	0.9
445.07645	2.0
463.08820	1.6
505.09317	0.9
519.58514	0.7
579.69104	0.6
625.14093	67.3
626.14417	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.0
59.01256	7.4
61.98695	0.7
62.78004	0.6
69.03333	0.5
69.31100	0.8
69.31417	5.8
70.52238	0.5
71.01250	2.7
72.11967	0.5
73.02822	2.3
73.28188	0.5
75.00278	0.6
83.01240	0.6
85.02842	1.6
87.00761	0.6
87.04411	1.1
88.98695	0.8
89.02321	1.2
93.03328	1.5
95.94936	0.5
97.00970	0.6
97.06508	1.2
101.02322	2.3
109.02850	0.9
109.06510	0.6
113.02319	1.1
121.02690	0.5
125.02387	0.5
128.54408	0.5
153.01872	0.6
157.12283	1.3
161.37775	0.6
167.41614	0.6
169.12303	0.8
176.01079	0.6
185.11803	1.1
191.03610	0.7
191.05545	1.9
215.12857	1.3
327.25363	0.6
329.23303	2.1
339.25287	0.6
357.26410	6.1
373.26004	2.2
374.26346	1.2
375.27496	100.0
376.27835	11.4
389.28949	1.5
417.28418	1.3
440.21954	0.5
459.29852	0.7
461.18219	0.6
524.56262	0.6
537.32849	0.9
579.33875	5.9
623.35638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26208	1.7
52.78691	1.6
59.01236	7.9
59.05762	1.7
60.67043	1.8
65.00188	2.9
65.67380	1.7
69.93427	10.4
71.01236	5.6
86.62846	1.6
89.02299	3.3
93.03316	3.0
95.01282	2.1
101.02338	2.0
107.01236	3.5
109.02835	2.4
109.99961	5.8
111.00742	6.1
119.03380	1.7
121.02786	2.2
123.00749	4.5
135.04387	6.6
139.00255	7.9
151.00262	10.2
152.01021	3.3
161.02402	2.5
161.04384	1.8
161.05923	4.9
163.00316	2.4
164.01141	2.6
165.05443	3.4
165.98964	7.4
166.09804	1.9
166.99803	2.3
175.03885	2.0
178.99796	11.5
185.49905	1.7
187.03903	3.8
191.05540	4.0
193.98407	2.5
199.03841	2.2
201.01843	2.6
209.11797	2.7
214.02695	3.1
215.03511	3.9
216.04439	2.2
227.03401	7.5
227.12784	6.3
231.03043	3.0
242.02208	2.9
243.02942	13.7
251.33748	2.1
255.02936	20.3
259.02332	5.2
270.01694	4.4
271.02457	53.1
272.03104	13.7
273.03912	2.8
283.02438	3.6
287.01999	15.1
288.02579	7.5
298.01093	2.8
299.01913	31.5
300.02692	41.4
301.03378	17.7
302.03726	2.1
315.01520	2.4
316.02222	74.7
317.02661	10.8
397.13620	2.1
463.16095	5.2
486.70740	2.2
604.42078	2.1
607.12946	4.5
625.14014	100.0
626.14038	17.0
641.93781	2.2
647.57135	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.5
67.07692	2.3
71.10268	2.3
71.37805	5.2
80.56057	2.5
103.48872	2.3
108.02032	2.8
109.02836	12.5
115.63417	2.5
121.02854	7.6
122.03674	5.0
123.04409	4.7
133.02881	3.3
134.03601	11.6
135.04431	24.8
135.08080	3.6
135.12331	2.0
137.05896	2.4
147.04433	6.7
148.05202	11.7
149.05998	3.1
153.09021	2.7
159.04401	5.5
160.05190	7.9
163.07567	12.3
167.07025	3.1
171.10143	2.9
175.03929	25.3
175.07570	14.7
176.04677	5.5
177.75539	2.3
187.03906	2.6
189.05524	18.4
193.08647	19.5
201.05385	3.0
221.11938	2.5
233.23618	2.5
247.13367	2.7
261.14789	5.0
263.12872	4.7
273.14862	7.5
282.12543	5.2
289.14459	6.1
291.16034	5.3
297.11426	4.9
304.13177	9.0
305.13986	5.6
315.19211	4.5
318.14810	4.1
333.20804	2.8
399.21729	3.9
411.21649	4.4
417.22821	21.1
425.23090	5.9
429.22736	51.5
430.23203	5.8
443.24359	100.0
444.24622	15.1
455.24307	20.3
499.23309	5.9
605.31152	6.1
623.32178	47.3
624.32135	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01249	3.9
61.98695	1.1
68.99695	0.4
69.03326	0.8
71.01247	2.9
71.07623	0.7
71.07975	0.6
73.02814	1.3
81.03336	0.7
85.02824	2.7
87.00735	0.5
89.02325	0.7
93.03339	1.0
95.01291	1.8
97.02853	0.4
97.06530	0.4
99.00761	0.5
101.02321	1.5
108.02052	49.5
109.02853	18.9
109.03607	0.7
109.06506	0.4
110.03187	0.7
113.02318	1.6
121.02846	1.3
123.00771	1.5
123.04411	0.9
125.02350	0.6
125.09642	0.7
133.02831	0.6
135.04417	1.5
136.67760	0.3
151.03918	2.0
152.01062	45.6
153.01846	32.5
154.02185	0.9
163.03888	1.0
165.01843	1.3
171.10161	0.4
191.05634	0.7
195.02982	0.4
207.10240	1.1
213.11250	0.4
215.09108	0.6
225.11266	0.6
227.12831	0.8
243.10014	0.4
252.36243	0.3
279.12540	0.4
315.07217	100.0
315.38629	0.4
316.07507	7.0
444.91568	0.3
459.11926	0.4
461.21808	0.5
527.21490	0.4
623.25970	3.7
624.27155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16797	1.1
59.01259	2.1
59.53774	1.2
61.98696	1.6
62.43575	1.3
62.43880	1.1
64.77278	1.2
65.03825	4.4
70.18085	1.1
71.01230	1.6
71.57822	1.3
78.95792	1.6
80.13773	1.1
83.04897	1.2
91.05412	16.8
93.03350	3.5
102.06851	1.3
109.02836	22.0
111.08051	1.3
121.02841	14.4
123.08074	1.6
125.09631	5.1
127.11169	1.2
135.04414	100.0
136.04778	2.6
137.09666	2.4
147.04434	7.1
148.05182	2.6
149.05968	1.4
153.09131	1.8
155.10657	2.0
160.05225	2.9
163.07547	3.9
165.05392	1.6
167.06985	1.5
171.10185	2.9
175.07565	4.6
193.08636	14.6
201.11264	9.3
213.11272	5.3
227.12845	1.5
285.39200	1.3
289.18063	5.0
297.11380	1.4
307.19150	10.9
308.19604	1.7
315.12387	31.6
316.12759	1.6
325.20221	5.5
387.25491	3.9
405.26694	2.9
425.95398	1.2
447.16409	1.3
487.26843	3.3
501.28564	3.6
623.32458	30.7
624.33136	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48220	0.3
56.08160	0.4
59.01254	4.2
59.17021	0.3
69.76119	2.0
71.01253	2.0
73.02816	0.6
75.00766	0.4
79.23312	0.3
79.43137	0.3
83.01252	0.4
85.02834	1.0
87.00746	0.8
88.98687	1.2
89.02347	1.6
93.03332	0.5
96.95877	0.4
97.02853	0.3
97.80818	0.3
98.20525	0.6
99.00780	0.4
101.02319	1.6
108.02065	0.4
109.02847	1.4
109.06480	1.2
111.04439	0.4
113.02335	0.9
117.03301	0.4
119.03376	0.7
119.04910	0.4
121.02866	0.4
123.04401	0.4
124.01499	0.5
125.02400	0.4
135.04442	0.8
136.01570	0.6
137.02345	3.3
138.03151	0.4
139.00276	0.6
145.02835	1.3
147.04427	2.1
151.00194	0.5
151.03909	5.9
152.01067	0.5
152.04648	0.7
153.01820	1.0
161.02341	0.6
161.05969	0.5
162.03065	0.5
163.03938	4.4
163.11189	0.6
165.01852	1.0
166.02583	0.6
166.06212	0.4
167.03413	0.8
167.06960	0.5
173.02351	0.6
173.04492	0.4
173.05931	0.4
174.03149	3.1
175.03923	16.8
176.04692	4.3
177.01913	0.6
177.05478	1.8
179.03413	1.4
179.07057	0.3
180.04202	9.9
181.04915	1.1
188.04759	3.3
189.05510	6.7
190.06293	20.6
191.03696	0.5
191.05554	1.1
191.07071	12.6
192.04338	0.7
192.07474	0.7
193.05002	8.3
194.05818	6.5
195.06221	0.5
198.05269	0.3
203.07086	2.4
205.08640	17.1
206.09013	0.9
207.06586	7.7
207.10236	3.4
208.07347	10.9
209.04546	0.5
209.07675	0.6
221.08194	0.3
222.08948	1.4
223.09697	1.0
225.11256	2.7
255.02882	0.4
257.08209	0.7
283.02420	1.9
309.00314	0.7
359.11383	0.8
374.13858	2.2
389.16080	100.0
390.16415	11.9
397.13632	0.9
399.81244	0.3
415.14474	0.8
419.17120	1.4
443.22733	0.9
461.15424	0.5
542.66779	0.4
623.10510	1.3
623.25891	2.0
624.12439	0.5
624.26379	0.5
645.22241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28398	0.7
59.01265	1.2
65.03841	4.1
66.04018	0.8
67.01763	17.6
69.86313	0.7
71.01243	1.0
78.62111	0.9
79.05412	1.9
91.05412	11.8
93.03324	1.8
96.95894	1.2
104.68867	0.8
107.04889	1.7
109.02841	27.1
117.03338	1.9
121.02863	4.1
123.04411	7.5
131.04906	1.6
133.02881	1.4
133.06485	1.1
135.04417	96.9
136.04752	3.4
147.04445	1.3
150.67467	0.7
151.03886	1.3
153.04239	1.7
153.05487	30.5
154.05849	1.2
157.02901	2.8
159.04402	2.0
161.02354	5.6
165.05457	1.3
173.06049	2.1
175.03983	1.1
175.07608	5.9
177.05498	12.9
179.03406	2.5
195.06586	4.0
196.05222	2.0
197.04443	1.7
197.06041	2.4
199.03926	5.0
203.07204	1.5
211.03990	5.4
225.11168	0.8
227.07094	29.2
228.07477	1.7
241.05040	22.7
242.05409	2.2
243.02901	2.0
249.05586	1.3
253.05035	3.4
253.08713	2.8
265.04944	1.2
267.06625	2.5
271.09860	1.7
279.06625	0.9
293.04504	4.6
293.07556	0.8
305.08255	6.0
307.06171	4.7
307.09793	4.5
331.09454	1.2
343.06259	2.5
347.09256	1.8
357.07693	15.6
358.08109	1.7
359.09256	100.0
360.09583	11.9
361.07233	2.1
362.07861	0.8
363.12405	1.1
381.13312	1.0
427.11874	1.7
443.11194	1.4
451.11621	4.5
469.12949	44.6
470.13239	9.0
471.10971	1.3
495.14911	1.5
513.15552	3.7
605.18304	4.9
623.19122	11.0
623.34906	1.2
624.19141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13953	0.8
51.98449	0.9
57.03340	1.9
59.01253	33.9
61.98711	2.1
65.03842	2.8
67.01765	1.7
70.53486	3.6
71.01257	14.0
71.34581	0.8
72.99168	1.5
73.02820	5.6
75.00740	1.1
77.37814	0.9
78.95776	1.0
83.01263	3.5
85.02831	6.4
87.00763	3.2
88.98699	1.0
89.02325	7.6
91.01774	15.3
93.03342	5.6
95.01226	1.1
96.95895	2.8
97.02836	1.1
97.52621	0.9
99.00735	1.2
99.04389	1.1
101.02329	8.4
108.02077	1.1
109.02845	27.9
109.06523	1.1
110.03221	0.9
110.06808	0.9
111.00800	1.1
111.04456	1.0
113.02318	6.4
119.03429	2.2
119.04888	1.3
121.02837	2.7
123.04418	1.1
125.02370	2.1
129.09132	1.2
135.00780	45.6
135.04369	4.5
136.01140	1.0
137.02333	4.5
143.03391	1.6
148.01596	1.1
151.00272	1.1
153.01843	100.0
154.02188	4.1
155.03424	1.1
161.02313	1.7
161.04510	1.7
161.90056	1.0
163.03993	1.0
173.04439	4.7
177.01823	1.9
179.03416	2.8
191.05566	12.2
201.35786	0.9
207.10254	1.4
225.11339	1.4
243.06633	1.9
271.02142	0.9
275.07730	1.7
335.09860	1.3
375.27429	6.4
411.03928	1.2
411.09387	22.9
412.09680	3.1
417.21170	3.0
429.10394	5.9
449.27667	2.3
471.11444	1.4
490.03333	1.0
519.31897	3.7
537.33258	1.2
563.30707	2.2
579.33710	13.3
580.33533	1.1
623.24457	2.2
623.34436	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63751	1.2
55.01755	2.7
57.03326	4.6
58.00470	2.3
59.01252	68.0
69.03324	3.1
69.47260	11.4
71.01259	24.7
73.02826	6.9
76.04996	1.3
78.27499	1.6
83.01257	3.7
83.04934	1.7
85.02814	7.8
87.00764	4.2
89.02325	23.5
92.36311	1.2
93.03307	2.1
95.01309	2.2
96.95916	2.0
97.02830	3.0
97.06478	1.4
98.20567	2.3
99.00773	1.4
101.02322	19.2
101.20866	1.2
109.02829	2.0
113.02334	10.8
119.03424	7.4
123.08057	2.4
123.47484	1.3
125.02330	5.7
125.09533	2.0
135.00754	1.5
135.04466	1.4
141.09145	1.6
143.03418	2.5
159.64397	1.7
161.04482	5.1
167.03395	2.1
167.10617	2.4
179.05540	3.5
179.14362	2.4
181.05045	1.9
185.11812	6.5
191.05525	2.5
195.13889	8.5
205.12210	8.9
221.06726	1.7
223.13354	70.1
224.13693	5.3
235.08199	4.7
287.07498	1.4
312.69800	1.3
355.24924	3.5
372.87808	1.4
373.25955	100.0
374.26312	9.5
397.13516	42.5
398.14163	3.2
415.14566	19.5
415.26822	2.3
416.14795	2.5
457.28052	3.4
475.29678	1.6
577.32269	37.1
578.32288	4.7
621.35010	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.6
57.03330	3.1
58.00446	2.2
59.01254	100.0
65.10634	1.5
68.06277	1.8
69.23218	2.6
69.23549	22.1
71.01258	45.6
72.99185	5.1
73.02821	14.3
75.00746	3.6
78.95758	1.6
81.03343	2.9
83.01260	6.2
85.02827	14.0
87.00754	5.2
89.02326	35.9
93.03353	3.6
95.01290	4.4
96.95904	7.0
99.00758	3.6
101.02333	24.1
108.02061	2.4
109.02843	4.2
111.00770	3.5
113.02341	20.7
118.97974	3.9
119.03404	13.3
119.04895	5.9
125.02330	3.2
130.38979	1.6
135.04414	5.4
137.02361	2.5
143.03368	5.2
147.16960	1.9
153.01917	2.7
161.02350	1.9
161.04483	5.9
163.03845	2.1
173.04547	4.3
175.02505	1.9
179.03413	3.0
179.05525	5.5
191.04051	2.1
191.05539	12.7
211.13423	2.3
251.74161	2.0
269.85025	1.9
298.07990	2.0
517.26563	29.7
518.27032	5.1
535.27692	16.2
536.27594	2.6
577.27521	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.2
59.01253	100.0
61.95469	2.4
69.03321	2.6
71.01251	43.2
71.58287	4.7
72.99191	4.7
73.02821	17.0
83.01261	5.2
85.02818	21.3
87.00702	5.3
89.02314	27.4
90.02634	2.7
93.03339	10.6
95.05622	2.6
96.95924	5.8
99.00728	3.6
101.02322	24.9
108.02052	5.5
109.02848	8.3
113.02316	28.6
119.03417	13.9
119.04888	5.0
125.02311	4.4
133.02794	3.0
135.04407	9.0
137.02351	4.5
143.03384	5.9
146.00858	3.8
151.00262	4.2
152.01125	3.9
153.01715	3.8
161.02296	6.0
161.04448	9.1
173.04509	6.5
177.01811	3.7
179.03384	2.4
179.05582	7.1
180.08505	2.8
191.03441	9.5
191.05547	30.9
192.05957	4.3
216.41551	2.8
227.61824	3.2
261.01328	2.8
297.07516	3.0
353.09436	2.7
459.12906	4.0
517.26666	38.6
518.26617	7.7
535.27808	18.7
536.27594	3.9
621.22943	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64674	1.2
57.03331	3.6
58.00486	1.5
59.01253	100.0
60.01583	1.7
69.88959	7.4
71.01254	12.7
73.02832	7.3
77.81522	1.3
83.01270	2.7
85.02832	6.4
87.00775	1.5
89.02328	3.7
95.01272	1.6
96.95876	3.3
101.02345	8.1
113.02316	5.6
119.03374	1.9
125.09657	1.7
135.04390	2.2
153.39410	1.4
161.04498	1.9
171.10168	3.9
173.04445	2.4
186.50851	1.3
191.05600	3.2
254.10661	1.6
286.92572	1.2
311.22305	1.3
331.61154	1.5
337.24051	1.4
355.24603	3.9
373.25961	66.2
374.26257	5.8
421.26141	1.5
439.27054	3.2
439.34464	1.3
457.27997	4.6
475.29019	1.8
539.19391	1.4
539.27570	1.3
577.32281	81.0
578.32837	11.5
621.30817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30331	2.4
50.82092	2.3
52.82336	1.8
57.09491	1.9
69.38908	20.4
79.52955	2.3
80.87936	2.1
98.19750	3.5
153.41766	1.9
161.14052	2.1
167.10643	2.4
169.83752	2.0
171.10141	7.1
281.95358	2.1
289.18036	2.5
291.19614	3.1
293.21103	4.6
308.19485	6.1
309.20651	4.9
311.22275	49.8
312.22507	3.2
327.21716	8.6
329.23105	3.1
401.17404	3.1
415.19080	3.6
430.18015	2.5
442.17792	5.1
443.18768	4.5
444.19543	6.7
445.20831	13.4
446.21194	4.3
447.22409	3.1
457.20474	5.9
458.20959	8.5
459.22589	16.7
460.22577	5.2
461.16647	3.8
461.23309	8.3
471.18069	6.4
473.16327	2.7
473.23660	4.9
474.21112	23.4
475.21356	4.7
485.19943	14.3
486.20581	38.9
487.20883	7.9
488.18350	6.4
488.67020	2.5
489.18036	5.2
489.22849	22.4
490.23541	4.7
499.20807	3.0
501.15582	5.3
501.22983	100.0
502.23315	15.6
512.18475	4.5
516.18030	14.0
518.22949	16.1
519.23419	3.4
527.20648	9.0
528.20752	2.8
533.26080	29.7
534.25391	4.3
535.19855	4.2
544.21008	5.3
545.21918	58.2
546.22083	9.6
548.20422	13.0
549.24115	2.8
559.23114	13.1
560.23907	3.3
561.21277	4.1
562.22113	13.0
577.24609	21.1
578.24963	3.8
621.23627	16.8
622.23657	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
57.12762	1.5
59.01250	27.5
65.03837	2.3
69.56607	1.4
71.01279	7.2
71.87943	1.5
71.92782	1.3
73.02837	4.2
85.02850	3.3
87.00759	2.5
88.99232	1.6
89.02331	5.5
91.05390	12.6
93.03356	4.2
95.01270	1.9
98.19758	3.9
101.02338	4.3
105.58122	1.4
109.02835	17.3
113.02338	2.7
119.03400	1.6
121.02859	6.6
125.02324	1.6
135.04419	100.0
136.04742	4.0
137.02406	1.4
137.05980	3.1
147.04427	4.8
148.05240	3.4
159.04465	1.7
160.89182	1.6
163.07547	9.9
167.03436	2.5
173.04497	2.1
191.05542	2.9
193.08707	2.8
215.10500	1.5
229.96420	1.9
233.11790	3.6
251.12845	17.6
327.21640	2.0
373.16531	47.6
373.25867	5.3
374.16815	6.6
399.17883	1.6
443.13675	1.8
501.30838	2.1
577.22711	13.3
577.32227	8.4
621.34210	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65203	0.7
57.03342	0.9
58.00445	0.8
59.01255	24.6
61.98710	0.9
65.03835	2.2
69.81864	4.4
71.01259	11.0
72.99213	1.1
73.02822	2.9
75.00728	1.1
83.01289	0.8
83.04913	1.0
84.30366	0.7
85.02829	5.3
87.00764	2.8
87.04395	1.2
89.02327	7.9
91.05412	11.3
93.03343	4.1
95.01265	1.3
96.95895	2.2
99.04400	3.1
101.02347	6.2
108.02065	1.1
109.02842	14.3
111.04366	0.9
113.02309	4.7
116.92755	3.5
119.03394	2.7
119.04941	1.0
120.99554	1.1
121.02827	6.1
122.03640	1.4
123.04398	1.4
125.02332	2.0
133.02823	0.9
134.03610	0.8
135.04420	100.0
136.04764	4.0
137.02367	1.4
137.05943	1.8
137.09621	1.0
143.03464	0.9
147.04430	3.2
148.05214	9.5
149.05791	0.7
151.00298	1.7
152.01077	0.9
153.01855	1.3
159.04417	2.9
161.02301	1.2
161.04480	0.8
163.03873	0.7
163.07576	17.6
163.11116	1.1
164.07921	1.1
171.10194	2.1
173.04518	3.0
177.05489	1.0
179.05510	1.3
191.05515	6.0
215.10739	2.0
225.11301	1.5
233.11780	5.7
235.13339	4.4
237.11317	0.8
251.12875	21.5
252.13074	1.4
277.14413	0.9
285.11227	0.8
372.79474	0.8
373.16568	26.9
373.25888	1.3
374.16840	2.4
400.10599	0.8
408.51315	0.8
417.15189	0.8
423.25165	1.0
438.15280	0.9
438.64032	0.9
470.53436	0.7
477.14587	0.7
488.19150	0.9
488.26999	0.8
501.30716	1.1
577.23047	40.6
577.32098	4.9
578.23468	6.8
611.89172	0.8
621.33569	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.1
71.45932	2.4
107.20308	1.2
109.02829	4.8
117.11462	1.4
123.00752	2.5
137.02354	14.1
139.03928	1.4
149.02373	1.5
151.00288	25.6
151.03879	1.6
152.01054	1.8
152.04695	2.7
161.02403	1.3
165.01877	1.2
166.02635	84.3
167.03134	5.0
167.31644	1.4
175.03851	2.2
177.01886	4.5
179.03435	1.2
181.04991	100.0
182.05341	4.1
183.13487	1.2
184.03607	1.2
190.06291	1.7
205.08688	1.7
212.85892	1.2
217.88771	1.1
220.93752	1.5
240.14001	1.3
351.33215	1.4
359.11627	1.5
371.15170	1.6
387.10846	21.9
402.13095	8.7
417.15561	91.5
418.16013	9.3
552.05579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.4
55.54671	2.0
57.03322	5.9
59.01253	100.0
61.98679	2.2
65.03828	2.0
69.03352	2.0
69.41261	16.8
71.01257	30.1
72.99179	3.7
73.02821	11.0
80.50090	2.2
83.01275	5.2
83.04884	2.7
85.02831	10.5
87.00761	4.7
89.02312	19.0
91.05401	3.9
93.03336	6.7
95.01280	4.5
95.33566	2.0
96.95882	4.5
98.19721	3.7
99.00744	2.2
99.04399	4.9
101.02328	23.4
107.23491	2.1
109.02834	5.8
111.00773	2.2
111.04399	2.2
113.01553	2.2
113.02313	13.9
116.92734	8.3
119.03364	6.9
119.04909	9.9
119.52023	2.2
121.02840	4.6
131.03380	2.2
133.04933	2.3
135.04422	29.4
137.02373	3.1
143.03383	2.6
148.05249	2.3
153.05516	1.8
159.04376	2.3
161.02332	3.7
161.04485	4.1
163.07538	2.8
170.17041	1.9
173.04456	5.5
179.03510	4.6
179.05484	3.5
189.12822	2.5
191.05557	13.2
207.13832	3.5
219.54659	2.1
225.05435	2.1
233.11769	9.0
235.13416	3.9
261.11096	3.2
327.21866	2.2
355.15442	2.0
357.17035	5.5
357.26361	11.0
373.25821	4.9
417.28470	2.5
441.26456	5.6
487.28745	2.0
561.32544	13.2
577.22839	13.1
577.32416	8.9
578.23499	2.6
579.33722	11.1
621.21576	2.9
621.32721	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.5
65.03819	2.9
67.01752	2.1
71.35042	1.8
77.85422	0.9
79.05392	8.9
91.05405	2.3
93.03334	1.2
105.03345	4.3
107.04897	4.5
109.02836	24.4
109.03588	1.7
121.02832	4.5
121.06448	1.1
123.04414	83.6
124.04715	1.8
133.02817	2.6
133.06427	1.0
135.04416	9.1
147.04404	1.4
148.01549	1.2
149.02313	3.0
151.03918	66.5
152.04251	2.6
157.02901	1.3
161.02408	4.9
165.05484	9.8
167.03392	1.8
173.05960	1.5
175.03906	1.9
175.07552	5.0
177.01840	2.8
193.05008	11.6
195.02907	2.2
196.05183	1.5
197.06015	3.2
199.03908	4.2
211.03928	3.7
219.06601	2.7
227.07089	25.0
241.05019	22.5
241.07722	1.2
241.08563	1.6
253.05110	2.3
267.06744	2.0
269.08151	4.3
291.06693	1.7
293.04587	5.9
305.08289	3.7
307.06058	4.7
307.09778	4.4
343.06039	4.1
347.08994	1.7
357.07663	15.1
359.09250	100.0
360.09662	11.5
361.11020	1.6
379.11874	2.2
451.11935	4.2
469.12885	49.6
470.13297	6.1
493.12860	1.6
511.13852	3.2
603.16742	6.3
621.17578	14.2
622.17987	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.4
57.33125	0.8
58.83337	0.9
59.01237	1.5
65.71627	0.8
69.03316	3.4
69.24413	6.0
69.24844	4.1
69.90523	0.8
77.87212	0.9
78.95773	1.3
79.02316	1.0
83.04904	1.4
85.02823	13.1
89.20729	0.9
95.04945	0.9
96.95886	1.0
97.02817	2.7
97.06468	3.1
107.08489	0.9
108.95320	0.8
111.08072	1.1
119.08551	0.9
121.06510	0.9
123.08036	1.8
125.09591	3.6
127.11195	2.2
137.09615	7.1
138.09969	0.8
139.11179	1.0
153.12770	1.2
155.10707	1.3
165.12811	1.3
171.10175	49.1
172.10507	3.8
173.10709	1.2
183.13750	2.0
197.11705	0.9
199.09792	1.4
199.13289	1.7
200.13789	0.9
201.11208	4.3
209.11751	1.4
211.13382	10.1
221.11823	2.6
229.14392	6.2
239.12738	2.3
247.20518	1.3
262.13251	1.0
263.20398	1.0
274.18475	0.8
289.18100	2.7
290.18286	2.3
291.19672	16.0
292.19965	2.8
293.20477	1.2
293.92935	1.0
307.19153	4.1
308.19559	4.7
309.20706	45.3
310.20978	6.8
311.21484	2.1
325.20148	1.7
327.21762	100.0
328.22092	9.8
373.24982	1.0
414.81613	0.9
601.41064	9.4
619.42151	31.4
620.42499	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35837	0.7
50.41031	0.7
52.33849	0.7
53.38325	0.7
57.03313	3.1
58.45772	0.9
59.01254	1.3
69.03314	2.1
70.01492	3.8
71.01263	1.1
85.02813	7.8
96.04552	0.7
97.02852	1.4
97.06457	2.5
107.08538	1.3
125.09598	1.7
127.11138	1.6
133.68687	0.7
137.09589	4.2
139.11179	3.3
153.12703	0.9
155.10634	1.2
167.10660	2.9
171.08755	1.4
171.10187	22.6
183.13806	3.0
185.11725	2.7
193.12244	0.9
197.11787	1.2
199.13344	2.4
201.11273	2.5
209.11760	0.9
211.13332	12.5
213.11229	1.9
221.11775	2.1
227.12769	0.9
229.14386	5.7
240.13629	3.2
247.20619	2.2
265.21542	1.0
273.18646	1.5
273.38184	0.7
288.24237	1.0
289.18015	1.9
290.18591	1.2
291.19684	21.9
292.19934	1.9
307.19269	2.6
308.19666	1.3
309.20697	100.0
310.21091	9.2
311.22198	1.4
327.21759	68.4
328.22046	6.2
601.41193	1.7
619.42340	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75927	0.5
57.03294	2.1
59.01230	1.5
63.00790	0.5
64.60313	0.5
69.03300	1.7
71.01244	0.6
71.32242	0.5
81.03294	0.5
83.04897	0.8
84.02048	0.6
85.02825	5.3
95.04819	0.6
97.02810	0.9
97.06497	2.4
107.08504	1.5
117.34191	0.5
119.95203	0.4
123.08055	0.7
125.09612	1.6
127.11205	0.9
137.09566	2.1
139.11182	3.5
151.10933	0.5
155.10622	1.5
158.46045	0.5
165.12761	1.1
167.10745	2.6
167.11920	0.5
171.10193	14.3
172.10527	0.8
177.12756	0.9
183.10204	0.7
183.13805	2.1
185.11777	1.5
195.13835	0.7
199.13268	1.8
201.11221	1.5
209.11783	1.1
211.13332	12.8
211.46967	0.6
212.13768	0.7
213.11308	2.4
214.12025	0.8
221.11754	2.1
227.12848	1.0
229.14438	6.6
239.12790	1.2
240.13666	1.8
247.20567	1.6
273.18530	1.5
278.45773	0.7
291.19662	18.4
292.19962	1.9
307.19257	0.6
309.20715	100.0
310.21118	9.3
327.21768	69.6
327.25784	1.1
328.22055	6.0
370.23007	0.5
394.28250	0.5
426.61633	0.6
601.40784	2.9
602.41766	1.1
619.42261	3.1
622.69092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17553	41.4
51.54100	42.1
52.95352	40.1
64.10145	48.3
71.19047	83.3
80.27829	44.6
91.81030	57.7
96.55961	48.9
142.39783	44.5
142.56509	45.3
151.93510	50.9
236.84818	44.4
309.20828	100.0
316.85971	47.4
334.92453	62.4
385.21292	47.7
447.67709	47.1
453.10486	52.3
641.68738	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53889	1.1
57.03321	4.8
59.01245	1.2
60.18119	1.1
69.03322	7.3
76.12920	1.4
78.95745	1.8
83.04937	1.6
83.99266	1.2
84.02042	1.3
85.02830	12.9
87.05779	1.3
91.06623	1.2
95.34450	1.4
97.02827	2.1
97.06482	3.3
119.08559	2.8
121.10101	1.6
125.09618	3.9
127.11185	2.4
137.09619	28.9
153.09071	1.3
171.10188	100.0
172.10435	2.9
172.90106	1.2
174.07584	1.6
183.13863	2.6
185.11726	1.8
191.05391	1.5
201.11259	1.8
209.11902	1.5
211.13347	10.3
221.11795	2.9
229.14397	4.8
230.05276	1.6
273.18695	1.9
291.16876	0.9
291.19662	26.4
292.20132	1.6
309.20767	24.5
310.21152	1.6
323.76776	1.4
325.20294	1.8
327.21762	80.3
328.22079	6.9
454.12219	1.4
619.32306	3.1
619.42200	46.4
620.42529	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	25.4
60.63998	2.3
60.99181	15.7
71.01257	5.9
73.02808	3.6
75.00727	3.3
79.64129	1.9
83.01266	2.3
83.72980	2.3
85.02836	4.0
85.89477	2.1
87.00757	4.7
88.00292	5.9
88.98679	100.0
89.02313	34.5
93.03348	4.3
96.95912	3.3
98.20557	4.8
101.02299	3.1
108.02061	2.5
109.02811	12.8
111.00789	3.3
113.73129	2.2
121.02855	2.9
124.01579	2.8
133.02820	3.7
134.03685	3.4
135.04425	33.2
136.04738	3.0
137.02368	2.8
147.04404	4.1
148.05188	2.7
149.02335	7.3
149.05984	32.0
159.04431	8.2
159.15514	2.0
161.02332	8.1
161.05992	9.0
163.03888	7.3
171.04401	4.0
171.10345	2.7
173.04535	3.3
175.03934	9.9
177.05528	14.3
179.03407	3.5
179.23622	2.3
187.03943	10.7
188.04686	9.9
189.05482	29.0
190.81891	2.3
191.03621	4.8
191.05524	18.7
191.07173	3.0
203.07001	2.1
205.05026	13.0
206.05849	3.5
207.06560	6.4
219.02937	8.4
221.04471	9.3
231.06546	2.9
247.06111	2.9
248.36832	2.6
251.05609	3.6
292.05826	2.3
309.06146	8.5
309.20840	10.6
310.06888	7.0
311.07782	10.9
323.22275	6.3
529.24335	6.0
619.27399	5.0
643.24048	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52266	13.8
56.95973	13.9
69.80949	100.0
98.19839	20.5
107.67191	16.4
111.88663	15.3
118.90115	13.1
123.04407	48.5
142.89018	16.6
149.02289	18.2
151.03856	16.6
152.42607	15.7
158.10127	14.6
189.21202	15.0
189.22914	15.3
221.21931	18.2
241.05013	20.7
309.11316	71.9
309.20898	20.4
357.07632	34.5
389.56799	19.3
467.11398	32.1
468.11826	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.5
59.01250	96.0
71.01247	36.5
72.99186	3.0
73.02806	13.9
83.04894	2.7
85.02822	16.4
87.00775	4.3
89.02328	18.0
93.03351	9.3
95.01275	3.5
96.95881	9.5
97.06458	3.6
97.70544	2.7
98.20565	5.8
99.00762	5.5
101.02322	20.6
109.02823	6.2
113.02323	18.0
118.97952	2.8
119.03407	6.6
119.04906	2.5
122.05978	4.6
123.08105	3.3
125.02388	3.7
127.03859	2.6
133.02869	2.8
135.04427	12.6
137.02350	7.8
142.72504	2.6
153.01828	4.5
161.04497	3.4
163.03857	2.4
173.04478	3.5
179.03410	3.6
191.05595	15.5
254.10565	3.5
265.18091	9.1
311.22043	3.6
353.23318	7.9
366.25598	2.6
371.24399	91.1
371.29144	5.5
372.24707	10.2
515.28619	10.9
533.29688	4.8
575.30719	100.0
576.30890	13.2
619.23907	6.2
619.25708	4.2
619.34546	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.4
57.03316	3.7
58.00462	3.1
59.01250	100.0
60.87877	1.4
69.03342	1.7
69.46439	1.5
71.01252	57.3
72.99182	4.8
73.02826	18.6
74.98974	4.5
78.95786	3.0
81.87198	1.4
83.01260	9.2
83.04921	1.7
83.48352	1.2
84.03275	1.3
85.02823	20.7
87.00761	4.8
89.01752	2.5
89.02315	36.8
92.12780	1.3
93.03348	6.1
95.01281	4.4
95.54596	1.2
96.95893	5.3
96.96870	1.7
97.02827	2.5
99.00765	5.2
101.02324	40.5
107.01250	1.3
108.02032	2.0
109.02839	5.5
111.00751	1.9
113.02330	26.1
116.92755	2.1
119.03397	13.9
119.04849	1.5
121.02817	1.8
123.04428	1.4
124.01550	2.2
125.02354	5.6
128.04790	1.3
131.03394	3.7
133.02859	1.9
135.04414	9.7
136.04665	1.4
136.99069	3.2
137.02371	1.7
143.03412	5.0
149.04483	1.8
151.03903	1.6
152.01007	1.7
155.03384	1.7
159.02905	1.9
161.02419	1.8
161.04472	10.7
161.05766	1.9
163.03882	1.4
173.04489	4.9
177.01843	1.5
179.03436	2.7
179.05508	8.2
187.03929	1.7
191.05531	17.2
192.05959	1.5
205.05083	1.5
209.08096	4.2
227.03456	4.5
227.12750	1.5
239.03447	1.4
255.02875	8.5
269.08185	1.4
270.08575	1.5
284.03162	9.4
285.04037	14.2
285.07010	2.0
286.04309	2.2
305.90829	1.5
371.20590	4.1
397.22238	2.9
413.21732	3.2
415.13876	1.7
514.40826	1.4
531.11292	3.1
533.25977	24.7
534.26166	2.9
559.27881	4.1
575.27222	7.9
577.28827	10.4
618.34680	3.2
619.20636	3.5
619.35406	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	5.1
59.01254	100.0
69.03332	9.4
71.01255	24.9
71.58554	5.3
72.99197	7.3
73.02835	5.6
74.02341	4.8
75.00755	6.0
78.95786	8.5
81.03373	4.1
85.02837	11.0
89.02336	9.5
93.03332	6.6
95.01292	6.2
96.95918	6.6
97.02841	13.1
101.02327	12.9
104.99001	3.5
108.02055	8.5
109.02869	14.5
113.02332	11.3
123.04423	8.2
127.11320	3.4
134.03667	15.0
135.04404	21.8
137.02405	5.8
146.03691	5.2
147.04410	10.5
148.05223	22.3
149.06000	46.8
159.04422	18.6
160.05220	9.5
161.02345	9.9
161.06023	10.2
163.03932	6.3
171.10208	14.2
172.05241	6.4
173.04530	7.6
173.06013	24.6
174.03192	6.1
174.06683	8.7
175.03896	8.5
177.01939	3.9
177.05443	4.7
185.06024	6.6
186.06837	6.3
187.03925	12.7
187.07672	5.2
188.04745	11.6
189.05469	12.2
191.05621	19.5
196.05322	3.6
197.06094	4.4
198.06879	5.4
199.07634	5.9
200.04637	5.1
201.05489	11.4
201.09154	13.2
201.11264	5.4
202.06079	3.6
203.10561	3.8
209.06055	5.2
209.11699	4.9
211.03996	6.4
212.04689	13.4
213.05515	15.8
213.09149	4.9
213.11261	8.9
215.07120	4.4
215.12810	18.8
217.12354	4.3
219.10204	23.7
219.21402	3.4
225.05585	6.2
227.07179	11.8
227.10747	6.8
229.12376	6.3
230.05811	4.4
239.07220	5.4
241.12372	13.6
245.11790	4.3
248.28156	3.5
251.07137	4.2
253.12451	6.4
255.06683	3.4
263.48257	3.6
269.11819	6.8
281.11774	6.8
299.12820	16.7
300.13391	4.3
309.20645	4.8
327.25473	8.2
341.13977	4.4
348.15833	13.1
353.14017	4.7
354.14175	4.4
355.15445	66.8
356.16016	8.4
371.24286	5.5
399.21497	4.9
413.16083	4.9
417.22937	31.0
418.23413	4.8
425.23486	6.4
439.21115	6.3
441.22601	6.2
443.24423	31.4
456.48962	3.8
457.26431	4.6
479.24261	5.5
481.22394	9.3
485.25800	6.6
497.25516	55.5
498.26144	8.5
515.26215	16.9
527.25995	5.8
529.24487	16.0
530.24713	4.0
533.32959	5.5
539.26886	7.3
541.24451	26.0
542.25543	4.6
547.25616	10.1
557.27191	4.9
559.25433	17.8
575.34875	19.9
619.27924	25.1
620.27942	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34871	2.7
59.01253	100.0
59.74081	2.5
69.03284	3.2
71.00899	3.8
71.01259	49.8
72.99161	3.2
73.02824	14.7
75.00705	2.7
83.01248	8.7
85.02820	17.9
87.00784	5.0
89.02317	40.2
90.24876	2.9
93.03328	3.7
95.01231	3.3
96.95882	9.0
97.02803	2.9
98.20498	6.2
101.02326	26.5
108.02034	4.1
109.02834	6.4
113.02342	27.5
119.03397	14.8
125.02376	3.9
131.03391	5.1
135.04393	4.9
137.02380	4.0
149.04321	2.5
153.01837	4.5
161.02342	3.6
161.04454	10.8
173.04459	5.3
179.03462	4.7
179.05492	10.7
191.05540	19.3
267.81476	2.8
398.13739	3.1
515.24829	11.4
533.25818	7.7
607.87939	3.0
620.16644	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.8
59.01252	100.0
69.63293	6.4
69.63719	11.9
71.01253	47.6
72.99192	4.5
73.02820	15.2
74.11897	2.3
75.00777	2.2
77.54440	2.2
78.95795	4.3
82.90990	2.2
83.01249	7.6
85.02825	23.9
87.00771	7.7
89.02310	37.0
93.03342	8.8
95.01276	5.9
96.95898	12.5
99.00783	3.0
99.92478	5.0
100.60886	2.4
100.61539	2.2
101.02328	32.1
109.02827	4.1
113.02329	29.4
116.92749	40.4
117.92740	3.4
119.03407	15.7
135.04390	4.3
137.02388	3.2
143.03400	5.2
147.80789	2.6
161.02356	3.5
161.04469	12.8
173.04491	7.1
179.03418	3.0
179.05528	8.2
191.05536	20.4
229.01479	3.0
383.07651	3.6
445.03210	2.5
473.04126	2.5
515.24927	39.1
516.25446	5.8
533.25977	20.1
559.27429	8.3
575.28302	2.5
577.29047	8.2
606.69977	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72711	0.5
71.35393	1.0
71.35751	0.6
74.84913	0.5
77.28148	0.5
78.95797	1.1
82.81457	0.6
89.21191	0.5
150.26901	0.6
152.99530	0.7
216.66368	0.5
401.14038	2.1
415.15640	2.1
416.16452	9.7
417.16605	1.2
429.16913	1.4
430.17841	2.4
431.18704	1.2
444.15656	1.0
458.17700	0.8
459.18265	86.3
460.18604	13.9
473.19797	14.4
474.20557	5.1
475.20901	0.8
485.16107	0.6
487.17654	0.7
499.18021	0.8
500.18665	0.7
501.19647	1.7
503.17047	2.0
504.17795	0.8
517.18488	1.2
518.19580	46.9
519.19940	8.2
532.21143	9.3
533.21942	100.0
534.22260	18.2
543.20654	1.0
587.23108	7.0
588.23456	1.7
619.25616	70.8
620.25977	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98422	5.5
59.29189	5.6
62.24413	5.2
65.04097	6.4
66.96758	6.2
67.34125	6.5
71.59312	11.9
73.43324	6.3
77.87516	6.0
78.95774	42.5
90.95601	5.8
102.66735	6.7
152.99489	43.5
199.47433	7.0
205.21146	6.4
209.11769	6.9
227.12923	6.3
255.23241	45.1
278.08807	5.9
293.51221	6.5
324.04520	6.2
363.11862	8.9
391.22711	11.7
408.51117	6.2
416.16241	13.6
459.18335	90.4
460.18533	16.2
473.19754	10.0
474.20303	6.7
518.19397	42.4
533.22046	100.0
534.22394	17.2
587.22900	10.7
619.25781	68.5
619.36102	10.3
620.25653	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35889	1.4
57.03320	4.0
59.01256	3.1
69.03342	2.7
69.16514	1.6
71.34540	3.2
83.04905	2.0
97.06477	1.9
107.04898	1.5
108.02068	3.0
111.08064	3.2
119.08544	3.6
121.06507	3.9
123.04401	4.7
123.08047	8.9
125.09615	4.3
127.11148	2.4
137.09604	8.5
139.11197	4.3
149.09613	2.7
151.11174	3.0
155.14293	1.7
159.95018	1.4
167.10597	1.9
171.10181	30.8
172.10509	1.8
177.12688	2.6
183.10167	2.0
185.11752	6.6
197.11726	10.8
199.13326	25.3
200.13513	2.1
201.11198	4.2
209.11775	2.6
213.11247	2.6
223.13229	1.9
228.98764	1.6
233.11827	3.7
245.19112	5.8
251.12827	4.6
273.18604	3.5
287.16458	2.0
289.18097	62.4
290.18494	6.3
291.19611	15.3
305.17532	3.8
307.19147	100.0
308.19427	8.7
309.20709	65.3
309.24295	3.4
310.20920	5.0
325.20142	7.8
326.20184	1.7
447.70297	1.4
492.91690	1.6
495.00803	1.5
568.67694	1.6
599.38934	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32049	0.9
54.34824	0.9
56.43708	1.0
57.03308	2.9
57.06256	1.1
59.01255	1.8
63.48301	1.0
69.39915	1.0
71.35592	2.2
81.03325	1.7
97.06493	1.9
98.20673	1.0
108.86063	1.2
111.07987	1.4
123.04398	4.9
123.08068	8.1
123.49179	1.1
125.09636	5.5
137.09647	2.7
139.11159	4.1
141.09148	1.4
142.02596	1.6
142.42686	1.2
149.09660	1.1
151.11195	2.5
153.09071	2.3
155.10635	1.3
155.14311	2.9
171.10211	5.5
177.12701	1.2
177.30574	1.0
185.11668	1.5
185.37639	1.1
199.09697	4.1
199.13310	15.3
200.10452	3.6
201.11281	5.7
213.11325	2.4
221.11835	1.5
225.74373	1.0
239.12788	1.6
245.19078	7.7
247.16922	1.1
247.20625	2.8
249.92671	1.2
263.20145	1.7
271.17053	2.5
273.18652	1.4
289.18088	63.6
290.18448	4.9
291.19626	10.5
307.19147	88.8
308.19565	8.5
309.20700	100.0
310.21158	8.2
325.20145	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.1
58.00475	0.9
59.01249	2.3
68.97733	0.9
69.03305	2.4
71.04879	1.2
71.16621	2.4
73.49884	0.8
93.03329	0.9
95.04907	1.4
97.02853	1.4
97.06441	1.0
107.04903	1.3
112.86517	1.1
119.08574	5.0
121.06510	2.6
123.04419	4.9
123.08057	10.0
125.09602	2.0
133.35670	0.9
135.08064	0.9
137.09613	9.8
139.11174	4.2
142.02606	3.2
149.06003	1.0
149.09657	1.7
149.89861	1.0
151.11220	4.4
151.12329	0.9
155.10675	1.8
155.14282	2.0
165.09109	1.1
171.10182	33.2
177.12753	1.9
183.10184	1.4
185.11777	8.5
195.10307	1.2
197.11774	1.4
199.13341	18.6
201.11270	2.5
213.11253	3.9
238.87526	1.0
239.12709	1.4
245.19160	6.5
247.17032	2.2
271.17078	2.5
273.18625	2.8
280.46915	0.8
289.18091	67.4
290.18469	5.2
291.19659	13.0
293.21359	1.0
305.17551	1.9
307.19153	100.0
308.19443	8.8
309.20682	35.0
310.21002	3.6
325.20093	1.9
328.59457	0.9
405.23395	1.0
420.66046	0.9
436.60712	0.9
446.18323	1.0
480.23187	1.0
497.79889	1.0
506.28116	1.2
599.39447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.3
59.01251	2.0
65.29997	1.3
69.03320	4.6
69.29498	6.3
69.29923	8.1
81.03337	1.8
97.02815	5.8
97.06465	1.6
100.20657	1.5
119.08540	3.7
119.23418	1.7
121.06515	2.6
123.04390	4.1
123.08036	8.6
125.09599	3.5
137.09612	16.1
139.11177	4.2
142.02660	2.0
149.09714	1.7
151.11154	4.1
155.14296	2.3
171.10182	39.1
172.10452	2.4
177.12689	3.5
183.10155	1.7
185.11792	2.2
191.14211	2.1
197.33601	1.3
199.13345	14.5
201.11229	7.3
213.11253	3.0
221.11748	3.3
239.12775	3.2
242.79715	1.6
245.19101	7.8
245.21306	1.4
247.16507	1.8
247.20619	2.5
262.43097	1.3
268.11853	1.4
271.17044	2.0
273.18555	2.7
279.69629	1.6
289.18082	66.3
290.18381	6.0
291.19662	49.3
291.22217	0.8
291.23032	1.3
292.19891	3.3
304.98947	1.5
305.17499	1.9
307.19122	100.0
308.19473	8.7
309.20694	69.8
309.85248	1.5
310.21078	7.8
324.95288	1.6
325.20123	8.0
328.19940	1.4
335.85358	1.6
417.36093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89401	0.6
57.03315	2.8
58.00475	0.9
58.54438	0.7
59.01249	1.3
69.53138	1.7
69.53544	3.2
71.01227	0.9
73.02816	0.9
73.18259	0.6
83.04890	1.3
97.06470	1.8
107.04987	0.7
107.08533	1.9
111.08018	5.1
123.08052	2.4
125.09605	13.4
127.11170	5.5
134.76698	0.6
135.08057	2.4
137.09610	3.9
139.11185	5.0
141.09099	2.2
151.11154	2.4
153.09106	1.6
155.10649	2.5
155.14314	0.7
164.08253	0.8
165.09145	1.9
167.10709	2.4
171.10181	6.9
183.10184	1.7
185.11722	2.2
193.16005	1.1
195.10158	1.8
197.11954	0.7
199.09708	1.2
199.13327	2.0
201.11256	26.2
209.11774	2.0
213.11267	20.9
214.11824	1.4
227.12888	3.0
240.13736	1.2
245.19032	1.9
247.20554	1.5
255.15921	0.7
263.20074	1.5
273.18631	1.2
281.21429	0.7
289.18054	7.7
291.19638	17.5
292.20001	2.5
305.17444	1.4
307.19138	19.6
308.19363	1.3
309.20697	100.0
310.21106	7.3
325.20187	41.0
325.24121	1.5
326.20490	3.1
392.68408	0.7
581.38623	0.8
599.39191	1.5
617.40851	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.4
59.01240	1.3
69.03326	5.0
69.40515	5.7
69.40939	3.5
73.76379	1.0
108.05685	2.2
109.02837	1.0
109.06528	0.9
110.03613	1.9
119.08557	8.1
121.06462	1.8
123.04382	5.5
123.08059	9.2
125.09609	3.5
127.11172	2.0
135.08049	2.3
137.09630	28.8
138.09933	1.1
139.11171	3.6
142.02632	2.6
149.09601	1.9
151.11159	2.8
155.14330	2.0
171.10178	97.6
172.10507	4.1
193.82278	1.1
199.11705	1.6
199.13348	18.9
201.11296	4.7
211.13322	1.3
214.23747	0.9
221.11830	1.7
245.19066	8.1
247.16917	1.2
271.17117	1.4
273.18735	2.4
289.18100	61.6
290.18332	4.9
291.19647	6.9
298.67303	1.1
307.19141	100.0
308.19388	9.3
309.20706	44.6
310.20923	5.0
325.20190	1.4
327.21573	1.0
378.13391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.1
59.01249	2.4
71.04904	4.2
71.58804	1.5
75.00750	14.3
81.03331	1.8
90.17633	1.4
91.49707	1.1
93.03371	1.5
95.04897	1.4
97.06484	3.0
101.02326	3.6
102.78713	1.0
103.00246	13.8
103.03883	11.7
107.04920	1.0
109.02843	1.1
109.06492	2.4
110.03640	1.3
121.06474	2.6
121.10103	2.2
123.04399	5.1
123.08022	8.1
125.09612	4.5
137.09593	5.3
139.11151	3.5
142.02611	3.5
149.09636	1.6
151.11179	2.8
155.14287	2.3
155.39235	1.0
171.10197	13.6
177.12708	1.4
185.11771	4.3
187.09785	1.1
193.11992	1.2
197.11737	1.1
199.13332	22.4
201.11253	2.7
209.11769	1.7
215.12839	3.5
221.11761	1.9
233.15427	2.6
237.21808	1.1
245.19055	10.1
247.16933	1.3
251.16557	8.9
253.04944	1.5
254.76921	1.1
265.05032	2.9
271.17007	2.0
277.21857	1.2
289.18097	71.8
290.18414	5.4
291.19669	18.2
292.20123	1.0
305.17728	1.3
307.19159	100.0
308.10471	2.2
308.19528	8.5
309.11264	1.2
309.20709	41.9
310.21036	3.3
325.20264	1.5
449.05399	1.1
581.40167	1.2
617.22040	1.8
617.31311	3.0
617.40436	2.8
618.31488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86422	1.3
57.03313	3.3
59.01244	2.8
69.03333	4.0
69.40137	8.7
69.40556	3.2
71.04903	1.8
74.30392	1.2
83.04900	1.4
85.02856	1.5
95.04890	1.8
97.02831	8.7
97.06509	1.8
98.19783	2.3
107.04896	1.2
109.06500	2.0
111.07372	1.3
111.08046	5.2
119.08555	5.2
121.10088	1.5
121.72950	1.3
123.04427	4.1
123.08048	8.8
125.09599	12.0
127.11173	2.9
135.08035	1.8
137.09622	28.4
138.09978	1.1
139.11182	4.1
141.09074	1.5
142.02626	1.6
149.09651	1.4
151.11215	5.7
153.09071	2.9
155.10677	2.6
155.14418	1.7
164.08374	1.2
165.09161	2.0
167.10765	2.0
171.10190	60.2
172.10458	2.1
177.12547	1.2
183.10211	1.5
185.11775	3.5
189.60611	1.4
191.14328	1.4
193.12132	1.2
195.10170	2.2
197.11821	1.9
199.09590	1.9
199.13370	13.1
201.11220	16.5
209.11662	1.8
209.58482	1.2
211.13232	1.6
213.11264	12.1
221.11768	2.2
227.12866	2.9
245.18927	6.0
247.16852	1.4
263.20135	1.6
264.57294	1.3
271.16971	1.4
273.18542	2.1
289.18097	56.9
290.18417	4.9
291.19614	17.6
292.20078	1.7
305.17499	3.4
306.98749	1.3
307.19150	100.0
308.19455	9.2
309.20721	62.3
310.21017	5.9
325.20184	44.1
326.20468	5.3
358.33539	1.7
412.81107	1.5
445.29584	2.1
599.39191	3.1
617.40472	19.2
618.40851	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07219	1.2
54.73338	1.2
57.03334	1.5
59.01254	3.3
67.53930	1.2
71.57928	2.3
73.57959	1.2
78.95774	5.5
93.03356	2.3
95.04900	1.4
96.95882	2.0
97.02862	1.2
107.04888	2.3
108.02034	3.4
109.02837	4.3
109.06404	1.5
115.93481	1.2
121.02841	6.0
121.06458	1.7
122.03647	4.7
123.04417	2.1
125.09644	1.7
133.02850	2.5
134.03635	7.5
135.04433	3.5
135.08067	2.1
137.09718	2.0
145.02855	2.8
146.03633	17.4
147.04442	3.2
148.05217	2.4
149.05968	1.6
152.99547	3.0
158.03665	2.0
159.04425	4.3
161.02350	4.0
161.05946	1.3
161.83331	1.2
171.10211	8.9
173.06033	6.0
174.06741	2.9
175.03970	1.9
175.07561	2.8
177.01859	4.2
177.09125	12.7
178.02641	25.8
185.06027	6.7
185.11656	1.3
186.06726	1.4
187.07658	2.5
188.04744	2.0
189.01859	1.5
189.09140	15.6
191.05556	1.9
191.10716	4.5
199.03882	1.6
199.07642	2.6
200.08382	4.9
201.09155	83.2
202.09544	4.9
203.03429	4.0
203.10712	17.2
204.04256	1.3
204.11235	1.9
205.12398	1.8
211.07712	1.6
213.05600	2.0
213.09300	1.8
213.11186	1.6
215.10724	4.5
215.12872	6.3
219.10298	1.7
221.11816	6.1
224.04973	1.5
225.05392	1.6
225.09119	2.6
226.10023	1.6
227.03314	1.6
227.07117	1.6
227.10748	2.1
239.12833	2.9
243.10374	1.5
250.12234	1.5
255.10233	3.5
255.13940	3.0
259.13351	1.9
265.05109	1.4
277.21771	3.0
278.09143	1.5
285.22150	1.7
289.18103	2.6
291.19879	3.0
293.12134	1.5
303.12366	2.1
307.19180	3.0
309.20987	4.5
324.09918	1.7
325.10699	1.5
325.20483	2.3
327.23251	1.4
329.21234	2.1
333.11026	1.5
353.21182	46.2
354.21539	3.7
361.10956	3.1
369.20850	2.0
371.16522	2.0
371.22299	5.2
379.19193	4.1
381.20868	2.2
383.22025	1.6
387.12277	3.6
397.20184	100.0
398.20554	12.1
401.23288	3.4
409.24152	2.3
413.23346	6.9
415.21213	19.1
416.21512	1.7
421.23950	1.7
427.24844	20.3
428.25198	2.3
439.25177	7.9
461.23419	2.6
466.09082	1.5
513.30170	1.8
530.30804	2.4
531.31842	1.7
539.57068	1.6
555.31067	5.7
573.32294	6.2
581.29065	3.0
581.37939	1.8
599.30164	55.6
599.37988	2.0
600.30511	12.8
617.21588	13.2
617.31525	59.8
617.40656	5.7
618.21863	3.1
618.31769	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	23.3
67.01761	6.4
71.01259	6.4
73.02834	3.0
85.02819	3.6
91.05476	3.3
93.03366	3.6
96.95875	5.2
101.02343	6.3
109.34044	2.3
113.02364	3.1
117.07002	3.0
134.03664	7.0
135.04424	58.8
135.98108	2.4
147.04420	25.9
148.05203	8.9
149.05983	5.4
153.05486	14.9
159.04520	2.9
160.05243	3.5
161.06003	51.8
162.06342	2.7
165.05496	100.0
166.05853	3.5
171.10165	10.5
173.04468	6.2
177.09106	8.6
179.07042	33.0
189.09186	17.2
191.05502	6.4
191.07120	10.0
199.57880	2.3
203.10707	97.4
204.11046	6.2
209.11798	9.7
215.10727	18.6
259.68283	2.8
267.82541	3.0
294.03571	3.4
297.65717	2.8
306.90533	2.5
354.61823	2.9
369.17050	67.1
370.17416	5.0
545.05414	3.0
573.23645	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.2
58.00454	1.2
59.01252	81.0
65.13718	0.8
67.01769	1.0
69.03315	0.8
71.01254	46.2
72.01589	0.8
72.99175	2.4
73.02822	64.0
75.00743	1.1
76.06467	0.8
83.01260	22.2
85.02818	3.7
87.00724	1.9
89.02310	8.2
93.03359	1.1
95.01265	1.1
96.95906	2.7
97.02795	1.5
98.20587	2.8
99.00739	2.0
101.02325	63.6
108.02053	1.5
109.02849	1.2
113.02340	12.7
119.03398	3.5
121.02858	1.7
121.06497	2.7
123.73447	0.7
125.02352	2.8
131.03394	4.4
131.07350	1.0
133.02806	1.5
134.03638	6.7
135.04396	2.8
140.41551	0.7
143.03345	4.4
147.04424	8.6
147.08078	3.2
148.05209	13.6
149.04443	3.2
149.05605	1.0
149.59692	0.8
155.03427	2.0
159.04440	7.7
160.05296	4.4
161.04468	10.3
161.05966	3.8
163.07571	12.4
171.10240	1.8
173.04581	2.0
173.06050	2.4
174.06805	3.2
175.07565	11.3
187.07559	3.6
188.08344	4.1
189.09142	100.0
190.09471	4.0
191.05525	2.4
201.09148	2.5
209.11774	1.5
227.12889	1.1
229.81157	1.3
233.08150	7.9
300.18649	0.9
325.23938	1.2
351.16010	67.8
352.16302	7.7
369.17288	1.4
369.22668	3.3
395.14886	2.3
397.15079	2.7
426.37979	1.1
513.21277	1.1
529.95801	1.0
531.22333	3.1
573.23370	28.8
574.23523	6.8
617.22412	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.2
59.01252	4.0
61.64582	1.7
62.23798	1.7
78.95777	14.4
79.36781	1.8
81.03339	3.9
93.03268	2.1
95.04879	9.6
97.02852	3.2
97.06438	5.0
107.04906	2.1
109.06477	3.9
111.93572	1.8
121.06466	5.5
123.04408	5.5
123.08054	13.1
125.09605	11.8
135.08055	7.7
137.09596	3.9
139.07626	1.8
139.11192	7.8
142.02596	2.9
151.11169	4.1
152.99498	18.3
155.14319	2.4
163.11179	3.9
171.10162	8.7
177.12753	4.2
181.12189	1.9
185.11716	6.5
191.14308	4.0
199.09685	2.2
199.13342	20.7
201.11288	3.5
207.10197	5.0
209.11768	14.9
223.13396	8.1
227.12735	3.2
239.12863	1.9
245.19124	15.4
247.16963	2.3
249.15039	1.8
255.23048	2.0
261.18646	2.4
265.14413	6.6
271.16882	2.9
287.16577	4.9
289.18097	86.4
290.18433	9.5
291.19608	11.4
305.17575	17.9
307.19165	100.0
308.19507	10.7
309.20685	45.4
310.20880	3.0
321.17245	3.6
323.18506	4.6
325.19958	2.3
329.36554	2.0
409.23495	8.4
450.76569	1.9
597.37799	3.0
615.40155	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.1
59.01255	1.7
60.81617	1.0
62.07089	1.1
65.03829	13.7
69.03329	1.2
71.04897	7.7
83.04893	1.3
93.66615	1.2
96.95884	2.0
97.06463	16.3
109.06446	2.3
110.70280	1.0
119.08548	3.1
121.06485	22.5
123.04414	4.4
123.08031	10.1
125.09617	14.1
137.09657	2.3
139.11209	3.4
142.02661	2.1
151.11177	2.9
155.14320	2.4
158.86253	1.1
163.11253	1.6
171.10181	5.3
177.12833	1.8
185.11772	18.6
185.13260	2.0
199.13344	14.2
200.13763	1.3
203.06139	1.2
209.11777	10.2
211.13351	9.2
235.13364	23.5
236.13815	2.1
245.19106	8.7
247.17178	1.4
254.63747	1.2
261.18661	1.2
271.16916	2.3
277.21716	5.1
278.22205	2.1
279.22308	1.6
287.16623	1.4
289.18106	60.8
290.18494	4.9
291.19833	1.6
295.22861	3.6
296.23087	4.6
297.23444	2.6
305.17609	4.9
307.19150	100.0
308.19528	9.6
309.20874	2.3
317.20807	1.4
318.21283	1.5
443.28479	1.4
463.30984	1.1
597.38397	1.8
615.45209	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26056	2.6
55.05316	2.5
57.03327	5.2
62.36167	2.3
65.03815	3.2
69.74790	10.3
69.75222	9.5
71.04882	6.6
78.95790	7.6
79.05404	7.7
80.96461	2.7
97.06466	10.7
99.94900	2.6
106.04138	10.4
107.04940	3.8
109.06460	4.5
116.92751	6.1
117.65942	2.5
120.05702	3.4
121.02785	2.8
121.06481	4.4
123.08057	16.7
125.08851	2.7
125.09606	16.3
135.08057	67.1
149.05881	2.9
151.11258	4.4
163.11133	2.6
171.10237	4.2
177.12784	3.6
185.11806	5.5
199.13309	15.3
201.11290	3.3
205.15930	5.0
221.11699	4.2
245.19167	5.5
249.14929	33.0
260.10321	4.3
287.16635	8.3
289.18088	62.4
303.15787	3.3
305.17593	100.0
306.17917	9.4
307.19128	81.0
308.19418	8.5
446.95407	2.9
453.91348	2.9
455.44034	3.0
514.41162	2.9
595.36401	3.1
613.25830	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22601	1.5
59.01250	21.1
65.28297	1.5
69.47816	2.2
69.48216	12.2
71.01260	11.4
72.99197	2.4
73.02803	11.7
83.01250	6.0
85.02838	2.5
87.00739	3.3
89.02300	3.6
96.95905	2.5
96.96894	1.6
99.00758	7.1
100.01593	2.7
101.02357	8.7
106.35087	1.7
111.00758	11.5
113.02335	3.4
113.99476	46.7
115.00267	21.5
128.01045	4.0
131.03311	1.5
139.00267	3.6
143.03555	1.8
156.00557	45.6
157.01259	2.2
174.01611	100.0
175.02205	7.1
191.39001	1.6
316.25095	1.8
362.95520	1.8
460.64679	1.7
469.31525	1.8
471.22046	1.7
511.15247	1.7
511.21671	10.4
512.21466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73775	0.7
57.03326	4.4
58.24471	0.8
59.01243	2.7
64.87489	0.7
69.03310	0.8
69.37923	6.3
71.01260	1.1
71.04884	1.5
76.25468	0.6
76.43945	0.7
78.95773	1.2
80.96423	0.9
81.03305	1.0
82.73878	0.7
83.04904	2.3
88.59102	0.7
93.88991	0.8
95.04913	4.5
95.09644	0.7
97.06458	2.4
99.65372	0.8
105.45086	0.7
106.04105	0.9
107.04935	0.7
107.08531	2.9
109.06476	1.9
111.69165	0.7
119.04945	1.1
119.08546	1.3
121.06491	1.2
122.03653	1.0
123.04412	2.9
123.08040	6.4
125.09610	7.3
135.08047	3.3
137.05986	1.2
137.09660	3.5
139.07451	0.7
139.11174	2.9
142.02647	1.3
148.08766	0.9
149.05978	0.9
149.09592	1.1
151.07550	2.2
151.11194	2.7
152.99484	2.6
153.00583	0.7
153.12788	1.1
155.14346	1.4
163.11134	1.5
165.12785	1.0
171.10196	6.5
177.12692	0.9
181.12273	1.4
183.13857	0.8
185.11729	2.1
187.09673	1.4
191.14348	0.8
199.09737	5.3
199.11615	1.3
199.13342	11.6
200.10457	1.3
201.11304	2.8
209.11810	1.4
213.11293	1.9
221.11795	1.5
223.13434	4.3
229.23892	0.8
245.19087	8.1
246.19489	1.1
247.17183	1.1
263.16788	0.8
263.20157	2.1
265.14502	3.8
271.16959	1.8
287.16507	1.4
289.18097	44.5
290.18549	4.3
291.19687	6.4
303.15991	1.2
305.17560	8.3
306.17850	0.8
307.19159	100.0
308.19516	9.7
309.20743	6.7
320.64386	0.8
321.17068	2.8
323.18427	1.8
325.20181	1.1
342.45477	0.8
387.34512	0.7
411.25168	0.8
555.28217	1.7
579.37579	0.8
597.38580	1.5
615.40460	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94968	1.4
52.34938	1.5
57.21856	1.9
59.01239	1.8
69.03332	2.9
71.01247	5.4
71.57751	2.6
71.83481	1.3
76.49631	1.4
78.95774	12.2
88.16535	2.0
93.03329	15.5
95.01251	2.6
96.95901	11.0
97.02856	3.2
101.02316	2.6
107.01289	2.0
108.02026	2.0
109.02813	5.2
111.00726	1.9
113.02370	3.5
121.02798	3.5
123.00782	11.4
124.01559	26.2
124.75086	1.5
125.02344	46.3
134.91348	1.4
135.00797	2.1
137.01381	2.6
137.02344	28.0
139.03900	7.5
149.99493	37.2
151.00269	6.3
151.03935	3.6
152.00980	2.3
153.01819	5.3
161.02377	1.6
167.03381	4.1
168.00562	72.1
169.01291	9.5
173.04530	2.0
179.03346	1.9
191.05492	7.1
248.29472	1.8
281.06631	12.0
297.16287	1.7
311.07706	3.1
313.05835	2.3
331.06686	3.4
385.10510	1.7
433.07791	2.9
451.08337	10.9
595.44891	1.7
613.13989	100.0
614.14520	17.2
614.23724	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46725	0.7
59.01254	7.5
62.22655	0.7
66.03354	0.8
69.44929	6.5
71.01259	4.2
71.02372	6.0
72.00784	2.4
73.02803	0.8
74.02356	3.7
75.08596	0.7
77.91307	0.8
78.95772	0.9
82.06518	2.0
82.08272	0.7
83.02346	1.0
85.02832	2.4
85.03941	1.5
89.02361	1.8
91.05438	1.4
93.03357	7.5
95.01292	0.7
96.95881	1.9
97.00311	1.0
98.01144	1.4
98.19805	1.4
99.01913	0.8
101.02326	2.6
103.16987	0.7
105.80885	0.7
106.04123	1.7
107.04901	1.7
108.02032	1.3
109.02843	1.4
110.05986	1.6
111.01895	16.9
111.82439	0.7
112.02653	1.1
113.02351	1.4
116.04952	1.3
118.06531	1.4
119.03425	1.1
119.04925	11.5
121.02875	1.6
123.04391	1.1
127.08652	4.2
133.05223	1.8
134.06027	14.9
135.04407	3.2
136.07588	10.0
137.02327	1.1
138.05547	0.9
139.08679	1.2
146.06027	27.3
147.06374	1.6
149.02370	1.1
150.03114	0.9
153.01845	1.1
153.06606	3.4
154.07372	1.2
155.08163	3.0
159.04390	1.1
160.07616	1.8
162.05440	1.1
163.03923	8.5
163.08745	1.1
164.07083	1.1
165.01819	1.7
165.05508	1.1
173.04443	2.4
180.04247	1.2
180.06593	30.8
181.06940	1.6
189.06665	5.3
191.05598	7.1
191.08229	8.2
191.11833	2.3
192.05894	0.9
198.05539	2.2
203.08179	1.9
213.13956	3.2
214.12340	5.3
218.06874	1.8
221.09276	3.0
230.66051	0.9
239.12027	1.6
240.10182	2.0
257.12994	4.0
258.08844	0.9
264.10388	1.8
266.11868	15.2
267.12259	1.3
272.10419	1.0
283.14514	2.9
289.14417	4.7
292.09894	0.9
302.18671	3.8
306.07690	1.2
309.12546	1.8
310.10791	1.0
327.13522	22.6
327.17413	1.3
328.13651	1.6
343.18079	1.2
378.14639	9.4
379.14789	1.0
388.23886	4.2
394.21323	2.5
421.19952	6.1
422.13828	1.0
432.22931	9.0
433.23294	1.2
438.20291	6.0
450.05118	0.9
465.18991	6.7
466.19522	1.8
562.70862	1.0
569.31317	1.8
613.30359	100.0
614.30701	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.2
71.01263	1.1
71.57738	1.8
78.95776	48.0
79.95627	4.6
87.97776	0.9
94.69411	0.9
96.95894	100.0
96.96846	66.8
98.02357	2.4
113.92538	1.1
128.35899	0.9
130.14206	1.0
138.96512	1.0
165.00177	1.0
186.89874	1.0
189.00801	1.0
191.05618	1.4
271.73874	0.9
277.21716	7.3
351.06250	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29232	0.7
52.08596	0.7
57.03307	1.1
59.01255	4.8
61.98696	1.2
69.30631	7.6
71.01267	1.3
71.56945	0.7
75.00748	0.8
75.01965	0.7
78.95778	61.0
85.02845	0.8
87.00738	0.9
93.03336	1.8
96.95914	0.8
96.96844	11.1
98.42608	0.8
105.55681	0.7
107.31760	0.7
113.02278	0.8
113.09566	2.1
126.39069	0.7
135.04390	1.1
150.97977	1.4
152.99493	77.6
167.55682	0.8
171.00522	1.8
173.04465	0.9
179.14362	0.9
187.38815	0.8
191.05592	3.6
195.13834	17.1
196.14136	1.5
207.86523	0.8
211.52597	0.8
223.00058	8.5
241.01176	24.9
249.32811	0.7
253.09348	0.8
259.02237	1.9
277.21744	18.3
277.24841	1.1
278.22128	1.4
293.21268	2.6
295.22781	63.9
296.23080	7.4
315.04868	11.9
316.05502	1.0
333.05884	1.4
611.28351	100.0
612.28638	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22393	0.4
55.01750	1.3
57.03317	1.3
57.84895	0.3
58.00460	1.0
59.01253	26.0
61.98685	0.7
63.01344	0.4
63.33015	0.3
70.35266	1.3
71.01255	22.3
72.01589	0.5
72.99189	2.5
73.02824	3.5
78.83472	0.4
83.01266	2.6
85.02824	7.0
87.00744	1.8
89.02316	8.4
93.03343	2.5
95.01267	1.7
96.95885	0.6
97.02854	0.7
99.00758	1.4
101.02323	12.5
108.02077	0.8
109.02844	1.2
111.00803	0.8
113.02330	6.3
119.03387	3.1
121.02853	0.4
123.04404	0.6
133.02811	0.6
135.04401	2.3
137.02307	1.6
151.03934	0.9
152.01067	0.6
152.04858	0.4
153.01823	0.9
161.02428	0.6
161.04454	0.8
165.01845	2.3
172.54170	0.3
173.04489	2.9
175.03929	0.8
177.01810	0.5
179.03397	0.9
180.04190	1.7
191.03926	0.7
191.05542	5.8
195.06532	2.4
202.64665	0.4
210.05246	0.5
225.07556	1.5
241.21663	0.6
260.18372	0.4
269.21201	0.6
271.05978	0.8
280.03845	0.6
287.22165	2.1
295.06113	1.2
322.04889	0.5
354.11026	0.4
363.12317	0.5
367.11749	1.1
402.46112	0.5
431.20837	0.8
431.26355	3.5
432.26593	0.8
437.12759	0.5
449.27551	18.8
450.27808	2.2
503.28998	0.8
535.21490	0.4
563.19061	0.6
581.19800	0.4
593.31458	0.7
611.32831	100.0
612.33154	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61246	1.8
55.01753	2.5
57.02258	1.9
57.03338	3.2
58.00473	3.4
59.01252	100.0
59.56778	1.6
60.01611	2.1
69.22682	1.7
69.23878	17.4
71.01254	41.7
71.55553	1.7
72.99171	3.5
73.02852	2.1
79.18036	2.1
82.25282	1.6
83.01283	2.0
85.02812	10.0
89.02320	29.0
94.46946	1.7
94.47536	2.1
95.01263	2.9
98.20506	3.8
99.04391	28.7
101.02326	14.9
102.86839	1.8
106.81876	1.7
109.02861	1.6
109.52938	1.7
113.02339	13.2
119.03371	9.6
121.06480	2.4
137.22258	1.7
140.21240	2.0
150.12415	1.8
165.12694	2.2
168.70137	1.7
179.05492	3.2
189.12761	7.2
207.13841	38.4
208.14145	2.0
209.11797	18.5
225.14824	2.5
251.12865	92.3
252.13177	5.6
269.13919	56.8
270.14365	3.2
271.02573	2.7
274.47833	2.3
292.12686	1.9
302.03241	4.0
311.14899	2.5
431.19214	87.3
432.19571	8.4
449.20270	59.2
450.20535	6.8
491.20966	2.7
611.15613	4.0
611.25482	72.4
612.26062	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1619
Annotation	Eriodictyol 5,3'-di-O-glucoside
Peak:m/z	Relative Intensity
52.11519	0.5
56.41146	0.7
59.01255	6.1
61.98708	0.8
67.01746	0.7
68.99667	0.7
71.01261	8.8
71.58006	0.9
72.99178	1.6
73.02817	1.5
75.00751	1.0
77.98043	0.6
81.03334	0.8
83.01270	2.9
85.02817	4.8
87.00764	0.8
89.02325	1.9
93.03339	32.8
94.03681	1.4
95.01259	2.2
96.95892	1.3
96.99196	1.4
101.02322	6.3
107.04899	1.0
108.02058	31.6
109.02874	4.5
111.00743	0.9
113.02325	4.9
121.02853	6.3
123.00814	1.2
123.04420	15.8
125.02347	2.0
133.02859	1.1
134.06038	0.7
135.04410	3.0
136.01541	1.9
137.02350	57.4
138.02687	2.0
139.00325	1.0
147.04468	0.8
149.02396	1.2
149.87688	0.7
151.00270	2.3
151.03879	3.4
152.01065	59.3
153.01863	5.3
159.04327	1.0
162.03145	1.2
163.03911	1.4
165.05476	1.8
166.02637	1.3
167.03421	68.6
168.03789	2.8
173.04495	1.2
177.01816	0.7
177.05489	3.0
179.03407	2.7
181.04974	1.6
191.05530	4.2
194.02118	1.0
207.06528	1.0
209.04498	6.6
221.04547	1.3
239.05635	1.1
243.06575	0.8
269.04587	0.7
281.06668	31.4
282.07080	2.2
287.05576	1.6
297.06192	1.0
311.07751	3.3
315.07272	1.0
405.11688	0.7
449.10880	100.0
450.11261	12.1
491.12134	4.6
521.12915	2.6
611.16119	13.4
612.16968	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.8
69.27292	3.9
69.27712	7.3
81.03355	0.9
91.32471	0.9
95.04926	5.5
98.20508	2.1
109.06491	1.6
119.05608	1.0
121.10128	30.1
122.10474	1.0
125.09661	1.9
127.11238	1.6
147.56534	1.0
148.98962	0.9
149.09641	1.1
153.68520	1.0
171.10185	80.2
172.10565	3.6
177.16481	1.8
182.60886	1.2
183.13846	2.1
185.11781	3.4
191.05389	1.2
191.06981	1.4
195.75250	0.9
197.11893	1.2
207.09988	4.0
209.07867	1.2
231.21106	5.0
275.20157	96.2
276.20493	9.0
276.97354	0.9
278.11346	13.3
293.21225	100.0
294.21533	9.6
297.18448	4.2
315.19397	61.3
316.19775	6.4
319.37915	1.1
329.17297	2.5
359.18439	6.4
360.18369	1.0
487.29456	1.2
609.41290	66.6
610.41479	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1617
Annotation	Okanin 4'-gentiobioside
Peak:m/z	Relative Intensity
57.03309	0.8
59.01251	8.0
65.00195	7.2
65.41275	0.7
69.04360	0.7
71.01246	4.4
71.58216	1.6
72.99191	0.8
75.00749	5.1
83.01270	3.8
83.04927	0.8
85.02847	1.8
87.00729	1.0
89.02317	3.2
93.03344	2.4
95.76121	0.7
96.95873	1.3
99.04382	1.1
101.02324	3.4
107.01268	13.0
108.02057	1.7
109.02827	3.3
111.00742	0.8
111.04356	0.9
113.02315	1.5
119.03362	1.5
123.04439	1.5
125.02339	7.2
129.09984	0.8
133.70045	0.8
134.03593	1.2
135.04414	56.3
136.04790	1.2
137.02365	1.7
151.00276	100.0
152.00734	3.3
153.01820	3.4
153.05371	1.0
156.45764	0.8
161.02342	1.7
161.41046	0.8
165.01813	2.4
167.03401	1.0
169.01317	3.3
173.04402	1.9
175.00275	2.9
177.01910	1.3
179.03401	1.2
179.05576	0.9
191.05530	4.5
212.50781	0.9
229.37274	0.8
250.05374	0.8
251.12817	1.1
269.13882	1.8
275.66388	0.8
286.05096	1.0
287.05615	86.4
288.05939	7.0
340.01785	0.8
431.13022	0.8
431.18613	1.0
449.10846	56.2
450.11197	6.5
551.26331	1.1
570.03217	0.8
611.15729	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.03317	6.7
58.82222	1.9
59.01254	82.9
71.01250	30.1
71.38703	3.9
72.37811	1.9
72.99159	2.5
73.02796	8.5
83.01271	5.8
85.02824	16.3
87.00740	2.4
87.04381	2.2
87.18291	2.0
89.02327	6.4
93.03347	4.0
95.01246	3.4
96.95894	2.4
99.00759	3.1
101.02325	17.2
113.02337	17.1
123.04372	2.1
123.81518	1.7
127.84679	1.8
135.04422	3.7
137.02299	2.1
161.02278	2.6
161.04469	8.4
167.08449	1.8
173.04497	2.6
177.01923	2.9
179.07077	2.3
185.15363	3.0
191.05531	8.9
211.13335	8.1
243.02850	1.8
271.02539	5.0
271.22922	2.2
300.02795	5.1
334.20480	2.1
355.88049	1.8
361.15555	2.7
361.29541	8.5
397.13260	4.0
505.33823	100.0
506.33871	13.3
523.34869	24.4
524.35132	3.1
565.35864	6.8
609.14496	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56513	2.1
51.44852	2.2
52.63046	2.2
56.18244	2.2
57.02436	2.2
57.03324	3.4
59.01255	95.4
65.14662	2.1
67.01765	2.3
71.01257	35.0
71.58964	3.6
72.99163	3.8
73.02828	14.2
75.00748	2.6
83.01259	6.2
85.02824	16.6
87.00758	2.9
89.02305	10.0
93.03333	10.4
95.01246	4.5
96.95879	2.4
99.00761	4.5
101.02322	20.0
106.59847	2.4
109.02830	4.5
113.02317	19.5
116.92767	2.7
119.03362	4.1
121.02872	2.6
123.04391	3.3
125.02364	2.9
131.03398	4.4
135.04456	10.6
137.02330	15.9
137.81129	2.0
151.03841	3.0
152.01033	4.4
152.96550	2.5
153.01787	4.8
160.23903	2.2
161.02397	2.0
161.04419	7.8
173.04449	4.6
180.06573	6.1
191.05501	10.8
193.44325	2.0
201.49016	2.2
205.12218	3.7
211.13332	5.6
212.29210	2.1
249.11162	2.5
255.02977	6.3
271.02496	7.3
285.03943	5.0
300.02646	11.8
301.03619	3.3
361.29575	4.4
372.64548	2.5
487.21472	3.0
487.31766	2.6
505.33850	100.0
506.34308	17.6
523.34784	15.5
524.35754	2.8
609.14063	11.6
609.31171	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2688
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.18377	0.7
56.52320	0.7
57.03307	0.8
59.01247	6.5
61.25388	0.7
61.98701	8.1
70.87282	1.8
70.87626	0.9
71.01245	3.3
78.95774	58.1
89.02334	1.2
93.03323	2.0
95.04977	0.9
96.96841	12.5
101.02328	1.4
109.02858	0.8
113.02317	1.0
121.02858	1.1
132.68973	0.8
135.04395	1.0
137.02353	4.0
152.99484	73.7
171.00581	1.8
171.10188	1.1
183.13843	0.9
191.05518	2.5
195.13861	7.6
196.14590	0.9
211.13332	1.3
223.00078	7.2
223.13387	4.6
231.21422	1.1
239.32535	0.8
241.01146	23.8
259.02347	1.9
275.20041	4.2
293.21219	39.9
294.21539	3.2
309.20676	1.6
315.04855	11.7
333.05988	1.5
339.29849	0.8
513.62579	0.8
609.26807	100.0
610.27020	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	48.4
69.87949	8.1
69.88369	3.1
71.00858	1.5
71.01251	34.2
72.99170	4.2
80.94723	2.2
83.85636	1.7
85.02834	5.6
87.00729	2.5
89.02320	47.2
96.00711	1.7
96.95898	2.4
98.19887	3.7
101.02325	17.9
107.01254	2.0
109.46489	2.0
113.02325	13.6
119.03381	18.9
143.03355	5.4
149.04504	2.1
151.00247	4.7
158.31241	1.9
161.04408	6.7
163.00308	2.2
170.68912	1.8
178.99791	3.3
179.05527	22.0
183.04381	4.3
183.47372	1.6
191.05400	1.9
204.40178	1.9
210.13135	1.9
211.03889	3.6
227.01349	3.9
227.03438	50.1
228.03833	4.4
255.02962	94.5
256.03375	12.9
257.04312	3.5
275.03009	1.9
283.02390	18.4
284.03238	100.0
285.03983	56.1
286.04318	4.6
429.08066	6.4
446.08603	4.2
447.09171	15.1
448.09848	2.2
488.30374	2.3
549.25598	5.6
609.14514	64.4
610.14960	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28602	1.3
59.01254	4.3
61.98699	4.7
67.01768	2.2
69.24155	16.4
73.90709	1.6
78.22992	1.6
78.91753	8.8
78.95783	6.0
80.36131	1.4
80.91532	2.3
81.01618	1.4
84.04034	1.5
85.02827	2.2
93.03330	2.5
96.96832	2.0
109.02834	27.3
121.02845	100.0
122.03166	3.0
125.05655	1.4
135.04420	7.4
147.04353	2.2
149.19130	1.6
151.00192	1.6
152.99522	3.9
161.02321	2.0
163.03955	6.0
163.50545	1.6
173.04672	1.9
175.07500	1.5
191.05542	2.7
199.03931	2.8
227.07079	7.8
241.01237	3.4
241.05038	8.1
253.05110	1.7
255.02933	2.5
271.02484	5.5
291.19562	2.7
293.04428	2.2
300.02930	8.9
300.05795	1.6
301.03571	3.3
305.08188	1.8
357.07623	7.9
359.09250	45.0
360.09616	6.0
440.68167	1.6
469.12933	27.2
470.13339	5.4
591.16418	9.6
609.14771	6.6
609.26953	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.7
65.03826	3.0
67.01760	1.2
71.58394	1.1
86.49438	0.6
91.05410	18.4
92.05743	0.6
93.03343	4.2
109.02840	18.7
121.02844	12.4
122.68388	0.6
133.02882	0.8
134.03629	1.7
134.06056	0.6
135.04414	100.0
136.04770	3.8
147.04396	6.0
148.76468	0.8
149.05991	2.7
159.04416	1.4
160.05202	3.1
175.07590	5.9
255.02922	1.4
271.02655	0.8
271.09915	0.6
293.21301	1.0
297.11261	1.5
300.02924	1.3
301.03479	0.7
332.10806	0.7
408.30032	0.6
445.16608	2.0
455.14838	0.7
459.18182	3.7
460.19049	0.7
461.16272	1.6
469.16605	1.4
471.18134	1.2
473.15833	3.5
474.16504	1.2
487.17798	4.5
499.17566	1.2
581.21747	6.1
582.22150	1.3
591.20355	1.4
609.21222	14.8
609.29620	1.0
610.21857	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Cyanin
Peak:m/z	Relative Intensity
56.74451	1.0
59.01249	9.0
65.00208	1.4
70.77175	2.2
71.01260	4.8
75.95792	0.8
83.01311	1.2
85.02772	0.8
89.02303	3.9
93.03310	1.6
101.02325	2.7
107.01241	1.4
113.02317	1.1
115.29591	0.9
117.03312	1.8
119.03386	1.7
151.00227	2.3
153.01924	1.4
155.04840	0.9
159.04391	1.5
171.04434	1.3
179.05447	1.0
183.04440	4.4
191.05508	1.0
211.03897	4.5
215.03448	1.0
225.05487	1.1
227.03458	10.7
244.00092	1.0
253.50249	0.9
255.02971	60.3
255.06438	3.2
256.03436	4.9
257.04669	1.0
265.04898	1.4
266.05829	1.8
267.06747	13.7
269.04526	1.0
283.02478	100.0
284.03101	17.2
285.04086	83.8
285.07596	14.3
286.04507	6.7
286.07596	1.6
297.04013	1.1
327.05020	4.5
353.93884	0.9
387.20401	1.3
431.14838	1.0
446.08618	20.2
447.09109	70.1
447.91861	0.9
448.09396	7.1
468.08536	0.8
489.10388	6.1
549.25354	6.3
609.14581	40.5
610.14789	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02250	0.7
69.88340	2.9
91.34306	0.6
93.03343	0.7
98.19800	1.1
104.04755	0.6
117.03349	1.3
118.72213	0.6
151.00241	2.2
159.04448	0.7
169.06503	0.8
171.04414	0.7
183.04422	2.4
185.06030	0.7
211.03925	2.5
213.05396	0.9
227.03421	6.6
228.04041	0.8
239.03429	1.1
239.07188	0.7
255.02959	43.5
255.06357	1.5
256.03366	3.7
267.06567	6.6
281.04358	1.0
283.02466	100.0
284.03073	17.4
285.04050	98.6
285.07538	9.0
286.04376	6.9
286.07559	1.1
297.04022	1.5
299.05585	0.8
327.05005	6.7
446.08566	26.0
447.09198	95.3
448.09531	10.4
489.10419	7.9
503.70779	0.8
531.11627	0.7
609.14587	57.4
610.05682	1.3
610.14825	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
57.03319	0.8
59.01254	4.5
65.00183	1.9
71.01239	2.4
73.02812	1.4
83.01229	1.5
85.02811	1.5
89.02283	1.4
93.03332	3.7
95.01261	1.3
99.00725	1.1
101.02296	1.2
107.01270	2.4
108.02039	1.5
109.02818	2.1
109.99947	2.7
111.00762	2.1
113.02316	2.2
121.02789	1.8
123.00761	2.2
124.01512	1.6
125.02292	1.3
133.02896	1.3
135.00746	0.8
135.04381	1.4
136.98666	1.2
137.02327	1.1
137.99481	1.1
139.00301	4.3
145.02831	1.1
147.04401	0.9
148.01564	1.0
150.03130	1.2
151.00281	9.4
151.03996	0.8
152.01132	4.3
153.01773	2.1
153.55161	0.7
155.04878	1.0
159.04395	0.9
161.02371	1.2
163.00241	2.7
163.03804	0.8
165.01833	1.0
165.05437	1.1
165.98961	4.5
166.99802	3.6
169.01312	1.1
171.04411	2.2
173.04518	1.0
175.03914	0.9
178.99792	5.4
179.03375	1.2
183.04437	1.8
185.06023	1.3
187.03979	3.9
188.04454	1.0
189.05579	1.3
190.09837	0.8
191.05534	1.5
193.01213	1.0
198.03096	1.4
199.03928	2.7
200.04677	1.3
201.05519	2.9
209.00755	2.2
209.11739	1.7
210.11986	1.0
211.03905	3.1
213.05515	0.8
215.03458	2.6
216.04111	0.9
226.02605	2.0
227.03418	12.3
228.04091	1.3
229.05025	3.2
229.86435	1.2
239.03513	1.5
243.02989	13.2
244.03500	2.3
245.04437	2.8
254.02132	3.7
255.02969	38.3
256.03455	2.6
257.04578	5.4
271.02466	40.3
272.03180	11.9
273.03885	3.3
282.01718	2.1
283.02499	13.3
284.03110	2.7
285.03928	5.2
286.04465	0.9
299.02057	2.6
300.02734	59.1
301.03479	45.0
302.03882	3.8
370.58710	0.8
415.14761	1.0
455.32846	0.8
489.12436	1.5
565.29041	1.1
591.14008	2.9
609.14569	100.0
610.14874	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15428	0.6
59.01250	2.0
65.00191	0.7
69.58873	5.0
79.46622	0.7
95.53251	0.6
107.01269	1.4
108.02079	1.9
148.01550	0.9
151.00267	3.4
151.42549	0.6
163.00211	1.0
178.99855	3.2
191.05643	0.7
198.03070	0.7
199.03833	1.2
214.09218	0.5
222.22594	0.7
226.02533	1.7
227.03485	3.2
243.02980	10.7
244.03262	1.5
254.02182	1.7
255.02969	23.2
256.03360	1.7
260.02954	0.7
271.02478	55.7
272.02951	4.6
284.03329	1.7
285.04047	2.2
299.02039	2.5
300.02740	100.0
301.03262	11.7
445.07642	0.8
447.09238	2.4
489.10641	1.0
609.14569	72.0
610.15082	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00182	0.4
57.16975	0.4
59.20376	0.4
65.00177	1.3
69.27489	3.4
69.27914	0.9
70.56619	0.4
75.33411	0.4
79.32085	0.4
83.01286	1.0
91.01731	0.5
93.38074	0.4
107.01289	3.3
107.68652	0.4
108.02036	1.5
109.02834	1.7
121.02863	2.0
135.00760	0.9
147.00845	0.4
148.01540	1.4
151.00272	12.7
152.00671	0.6
163.00267	3.7
164.01044	1.1
169.01334	0.7
178.99756	7.0
180.00134	0.4
183.04483	0.7
187.03804	0.6
199.03995	1.2
200.89430	0.4
201.05609	0.6
203.03294	0.6
211.03891	1.2
213.01900	0.5
215.03404	0.9
216.04042	0.5
216.18916	0.4
226.02660	2.1
227.03381	3.1
228.03845	0.5
229.04912	1.2
239.03545	0.8
243.00456	0.8
243.02962	10.9
244.03397	1.0
245.04475	1.7
254.02112	2.2
255.02969	29.6
256.03314	2.9
271.02472	60.4
272.02936	7.6
273.03891	0.9
283.02423	1.3
299.02011	1.4
300.02737	100.0
301.03458	39.3
302.03931	2.6
343.04532	0.7
609.14581	63.0
610.14886	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58050	0.4
59.01249	2.8
63.02282	0.7
65.00193	0.7
67.23975	0.4
71.01258	1.5
73.02826	0.5
75.00735	1.5
81.97007	0.3
83.01266	0.9
85.02802	0.6
87.00752	0.4
89.02333	1.0
89.36069	0.4
93.03362	0.9
96.95878	0.9
99.00748	0.4
101.02338	0.9
107.01276	1.6
109.02863	0.7
109.66291	0.4
111.00809	0.5
113.02341	0.6
117.03318	0.5
119.03434	0.4
121.02850	0.5
123.04407	0.4
125.02335	0.8
132.02089	0.5
135.00824	0.6
136.21898	0.4
137.02344	0.6
149.02365	0.4
151.00290	3.4
155.04900	0.4
159.04430	1.0
163.00394	0.5
165.01790	0.6
169.01366	1.3
173.04549	0.6
178.99792	0.8
183.04437	4.2
187.03934	0.6
191.05487	1.9
199.07677	0.4
211.03935	4.5
213.01804	0.6
225.05548	0.8
226.02739	0.5
227.03453	4.6
228.03758	0.6
229.05049	0.6
229.90504	0.5
237.01765	0.4
239.03354	0.4
243.02951	0.5
243.06668	2.5
255.02971	64.2
255.97327	0.4
256.03448	6.3
257.04276	0.7
260.36588	0.5
267.06519	0.4
271.02438	2.5
283.02475	100.0
284.03052	14.8
285.04041	12.3
285.07196	0.4
286.04276	0.9
300.02762	3.9
301.03323	1.3
327.05392	0.5
406.49783	0.4
446.02399	0.6
446.08514	7.9
447.08960	7.7
447.18750	0.9
448.09784	0.6
549.25372	0.7
609.14587	86.4
610.14862	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68874	1.3
57.03317	3.0
58.37761	1.2
59.01254	42.7
61.10054	1.0
61.98705	4.1
69.03332	1.4
69.46852	9.2
71.01251	17.1
73.02826	3.6
75.00754	1.5
78.95777	1.6
78.96518	1.2
80.96397	3.2
83.01257	2.0
85.02814	6.6
87.00755	2.7
89.02306	7.6
93.03348	3.8
95.01264	2.1
96.95898	3.6
99.00773	2.6
101.02323	8.1
102.29068	1.1
109.02842	3.9
111.00767	1.3
113.02338	5.3
119.03394	2.4
119.04868	1.9
121.02834	2.5
125.02363	2.3
134.03592	1.4
135.04413	4.7
137.02327	2.3
139.45833	1.1
143.03404	2.1
151.03847	1.4
152.01100	1.5
153.01814	1.9
161.02345	1.2
173.04488	7.9
179.03413	1.1
191.05624	6.6
201.09192	1.1
209.11755	5.0
230.13571	1.1
309.20822	1.3
313.23846	3.9
341.26932	3.6
359.28033	100.0
360.28357	11.8
367.22119	1.3
373.29736	2.1
397.13605	2.9
401.23331	2.7
401.28928	1.7
415.14163	1.3
487.32620	3.0
505.33661	1.3
534.28302	2.6
547.31445	3.1
565.32281	4.3
607.14990	1.4
607.23676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06991	0.5
59.01255	12.8
63.02259	0.7
63.44798	0.7
65.00195	3.0
66.58785	0.5
69.46458	1.3
69.46859	4.4
71.01257	10.5
72.99194	3.2
73.02839	0.7
75.00748	40.1
82.63197	0.5
82.85901	0.5
83.01260	1.6
85.02838	1.8
87.00769	1.2
88.00240	0.7
88.98672	2.0
89.02325	10.4
92.00976	0.5
93.03342	1.1
95.01282	0.9
96.70422	0.5
96.95911	1.0
101.02333	5.7
104.67486	0.5
107.01273	6.1
109.02880	0.7
113.02343	3.4
119.03411	4.3
125.02346	0.6
133.02808	2.8
135.04425	0.8
137.02339	0.8
149.02316	1.0
149.04530	0.7
151.00278	19.3
153.01817	0.9
161.02267	0.6
161.04599	0.7
165.01892	0.5
169.01335	1.0
173.05945	1.3
175.03909	2.7
177.01744	0.8
179.05513	1.5
180.04150	0.6
191.05508	2.2
195.06699	0.7
199.03973	1.4
201.01775	0.8
209.11911	0.7
217.05011	2.4
223.09766	0.7
225.05515	0.9
227.03336	0.8
241.05014	5.9
242.05324	0.7
243.03017	1.0
255.02988	1.6
256.03531	0.8
267.03439	0.7
267.06592	12.2
268.06973	1.0
269.04642	0.7
271.02417	1.0
283.02518	1.2
284.03256	11.7
285.04044	100.0
286.04401	7.6
297.03998	0.9
300.02869	1.0
301.03394	0.7
327.05161	2.2
369.19220	0.5
387.20157	1.4
447.09152	54.6
448.09442	6.1
489.10016	1.0
549.25397	1.2
609.14331	7.7
610.15363	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19410	0.9
57.03334	1.7
59.01255	30.1
60.01585	1.5
69.03326	1.3
71.01254	14.5
71.58775	1.1
72.99209	1.8
73.02818	4.0
75.00765	1.2
80.69925	1.0
83.01247	2.1
85.02853	5.0
87.00767	2.9
88.98717	1.0
89.02332	3.5
93.03331	3.3
95.01295	1.2
96.95905	2.1
97.02851	1.0
98.95457	1.1
99.00751	1.3
101.02339	7.3
109.02837	2.7
111.04401	1.1
113.02342	4.4
115.92036	0.9
119.04720	1.2
123.04385	1.7
125.02288	1.2
131.79253	1.1
135.04408	8.3
137.02304	1.8
161.04504	1.8
173.04526	2.6
191.05547	4.9
209.11810	2.2
216.90863	1.1
257.46744	1.2
311.25690	1.3
313.23746	5.7
341.26871	5.6
353.89493	1.2
359.28040	100.0
360.28366	11.9
360.70380	1.0
401.29138	3.2
475.29065	4.2
520.53583	1.3
563.21527	2.0
563.34656	6.8
564.34393	1.2
607.33887	5.8
608.32770	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77718	1.1
56.80721	1.2
57.03306	4.6
59.01253	100.0
61.98704	1.6
67.46529	1.6
69.76530	8.7
71.01256	21.1
72.99165	1.5
73.02835	6.5
75.00732	2.4
80.62566	1.3
83.01257	5.9
85.02811	13.2
87.00740	3.5
88.98666	3.1
89.02326	5.6
91.05431	1.8
93.03332	3.3
95.01292	2.8
96.95889	4.5
99.00764	2.8
101.02320	11.2
103.00268	8.0
108.02062	2.7
109.02833	4.8
111.00740	1.5
113.02338	9.5
117.07047	2.0
119.03378	1.7
119.04914	2.6
121.02828	1.9
121.07842	1.3
123.04392	3.2
125.02401	2.6
128.90062	1.5
129.01851	1.8
130.28087	1.1
133.02846	2.2
135.04417	15.8
137.02350	2.6
143.03378	1.9
147.04408	1.4
148.05243	8.9
149.05994	7.8
152.01045	2.1
153.01811	2.3
153.05455	6.6
155.10655	1.8
159.04408	2.0
160.05200	5.0
161.02408	2.8
161.04584	4.2
161.05991	67.0
163.03926	2.3
163.07556	11.0
165.05499	2.6
167.07043	1.6
169.35754	1.4
173.04520	1.9
175.07547	16.1
177.01802	2.2
179.03566	1.6
179.05481	2.8
179.07059	34.8
180.07362	2.5
191.05569	7.4
191.07043	2.0
193.08643	56.1
194.08952	2.9
209.11810	2.1
241.05038	1.5
262.88318	1.3
299.02206	1.6
338.94604	1.5
341.13934	75.3
342.14172	9.4
359.14990	12.9
359.28064	3.9
401.16122	15.0
402.16492	2.9
427.09924	2.1
433.27554	3.5
476.48306	1.5
503.19312	5.0
503.32263	35.9
504.32782	6.8
521.20123	4.8
521.33417	10.7
563.20892	2.5
563.30908	2.2
564.21460	1.7
607.32086	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62717	0.4
59.01245	1.2
59.76931	0.5
66.66975	0.5
66.67580	0.5
70.77100	0.5
70.87469	1.0
71.01248	1.8
73.16540	0.4
81.13634	0.5
85.02831	2.6
93.03334	0.6
93.65623	0.4
93.86520	0.5
95.01262	1.5
96.67063	0.5
99.00781	0.6
101.02337	0.5
106.75373	0.5
108.02056	50.2
109.02853	20.0
113.02324	1.3
118.75226	0.5
121.02841	1.5
123.00796	1.2
123.04411	1.1
135.04430	1.0
151.03894	1.7
152.01064	48.3
153.01852	34.0
153.02898	0.5
154.02202	1.6
163.03879	1.4
165.01883	1.3
180.25853	0.5
227.18793	0.6
309.20648	0.9
315.07227	100.0
316.07523	7.0
336.85291	0.5
427.21143	1.5
445.22296	3.6
607.27917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57720	4.4
58.97600	5.6
66.35092	5.2
71.49801	12.8
90.51285	6.4
105.87844	5.2
159.76169	5.7
170.44371	5.4
275.58572	6.0
302.53339	5.9
333.32761	5.4
431.22293	12.5
432.22913	9.5
443.21902	9.2
446.24561	6.9
447.25876	8.2
460.22778	17.8
472.22418	25.8
474.20703	18.9
475.21234	29.9
475.26450	7.9
487.25079	91.5
488.25534	12.3
502.20029	26.8
504.25198	10.6
513.22723	7.0
519.27271	22.7
531.23956	100.0
532.24213	25.8
534.22668	20.0
545.25653	9.5
547.23352	7.8
548.24146	17.6
563.26685	21.6
607.25659	55.2
608.26019	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2563
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
59.45404	4.1
65.26809	4.4
66.68834	3.8
70.90101	11.4
72.03793	3.3
89.35512	3.5
97.48882	3.5
166.82307	4.2
168.98105	3.7
186.94553	4.0
208.40019	3.8
230.17482	4.0
287.90598	3.8
431.22351	17.0
432.23169	5.0
445.24063	8.5
447.25925	6.0
451.07544	4.2
459.17654	6.0
459.25955	4.0
460.23062	29.6
460.28381	5.0
461.22919	4.9
471.21924	8.0
472.22577	33.7
473.23065	4.6
474.20639	11.3
475.20059	6.2
475.25043	19.1
487.25055	100.0
488.25229	14.4
502.20032	28.7
519.27185	11.2
531.24023	99.2
532.24341	16.9
545.25757	6.1
548.24414	11.7
563.26508	22.1
564.27002	6.0
607.25592	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1673
Annotation	Isoswertisin 4'-O-glucoside
Peak:m/z	Relative Intensity
58.02854	0.6
59.01249	6.9
64.37663	0.5
71.01250	7.6
72.99194	0.7
73.02825	1.7
75.94538	0.6
80.39140	0.6
83.01274	1.4
85.02831	2.3
87.00749	1.8
89.02322	3.2
93.03336	15.3
95.01286	0.7
96.95895	3.2
96.99184	0.7
97.02865	0.7
99.00753	0.9
101.02335	6.6
108.02051	1.2
113.02334	3.5
117.03369	1.1
118.97959	0.6
119.04917	100.0
120.05242	3.7
121.02859	1.4
131.04936	0.6
133.06500	1.6
135.04434	0.8
136.01564	1.9
137.02347	34.9
138.02690	1.1
141.01773	0.6
145.02866	3.1
147.04446	1.0
151.03845	1.1
152.01077	0.7
153.01880	0.7
154.12901	0.6
161.04549	0.7
161.05951	2.7
163.03920	52.6
164.04253	2.3
173.04506	1.1
175.02405	0.6
177.05508	0.8
179.03416	1.1
183.79236	0.5
187.03899	1.0
191.03778	0.5
191.05562	3.6
205.05037	1.9
209.11902	1.7
268.36414	0.5
281.06650	32.6
282.07019	1.9
325.09122	0.8
400.05826	0.8
401.06784	0.7
401.12207	0.9
401.17676	0.6
445.11401	88.8
446.11633	9.6
446.17200	0.9
487.12473	3.1
607.16650	3.3
607.30627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1611
Annotation	Guangsangon G
Peak:m/z	Relative Intensity
58.92528	1.4
59.01231	2.3
65.03845	11.0
67.01754	5.2
76.45956	1.5
82.60041	1.6
91.01765	1.9
91.05439	3.1
106.06361	1.5
107.04921	10.0
109.02838	60.6
133.02818	1.7
135.00793	4.7
135.04414	16.6
137.02342	100.0
151.03931	22.3
163.00244	6.2
175.07535	5.7
177.01904	9.1
179.03416	57.8
197.06036	2.7
199.03932	4.0
204.26752	1.7
205.05011	4.7
208.98772	1.8
227.07094	10.0
241.05055	26.2
242.05846	1.7
253.05051	2.8
255.06564	8.7
267.06479	2.7
281.04550	4.3
293.04672	1.8
299.05627	3.4
305.08197	3.5
307.06342	2.2
307.09793	6.9
347.09097	8.5
357.07706	2.6
359.09195	15.9
365.10345	5.5
443.15088	1.8
469.12979	7.8
470.12961	2.2
479.11310	5.2
497.12448	6.7
549.90833	1.7
569.30579	1.8
589.15228	10.4
590.15564	3.0
607.16095	65.3
607.32574	3.4
608.16357	14.1
612.18164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24430	0.2
57.02512	0.2
59.01254	0.4
61.98699	0.4
62.10327	0.2
62.96271	0.3
63.51601	0.2
71.57869	0.3
78.95776	100.0
96.96838	26.9
107.03526	0.6
109.02840	0.4
125.59377	0.2
134.04617	13.9
138.97908	1.5
147.14241	0.2
148.41888	0.2
150.97937	2.5
158.64034	0.2
159.04344	0.2
187.09679	0.2
192.98985	1.5
196.15733	0.2
211.00072	2.1
241.82040	0.2
271.87897	0.2
328.04480	2.2
346.05557	62.8
347.05844	3.4
403.45041	0.2
416.12576	0.2
451.88324	0.2
606.27924	3.4
607.27228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02430	3.7
59.01250	27.2
62.31729	3.4
63.48237	3.2
65.00213	5.5
65.99722	4.3
69.12805	3.8
69.35487	33.8
69.35908	6.4
71.01240	11.6
72.99238	3.1
73.02811	18.8
77.14371	3.6
83.01283	6.8
85.02804	4.0
89.02328	5.1
93.03328	7.7
95.05855	3.2
101.02345	8.8
107.01270	5.6
109.02856	18.0
111.00742	4.9
111.66197	3.4
113.02332	5.8
118.02852	3.9
121.02834	10.7
123.00809	5.1
125.02381	6.1
133.02872	8.5
134.02319	9.9
137.02353	19.4
146.80482	3.3
147.00784	9.8
148.01595	29.5
149.02327	15.2
151.00288	14.7
151.67281	3.8
152.01028	5.5
158.02386	8.5
159.04465	4.0
161.02324	5.4
162.01906	20.2
163.00334	19.1
163.02621	6.2
164.03444	14.7
165.01822	5.9
167.03365	4.0
173.04590	3.6
175.00319	10.3
176.01057	5.6
176.03372	6.1
177.01871	97.4
178.02306	6.5
178.99832	4.9
186.01875	22.5
189.18745	3.8
190.01389	13.0
191.02141	15.8
191.05566	5.9
202.01480	12.2
202.99800	28.1
204.02968	100.0
208.02467	6.8
227.03314	7.5
230.00945	48.1
231.01312	4.1
241.05180	4.4
243.02852	4.6
247.01262	4.9
255.02873	4.6
271.02487	16.4
285.04028	4.4
286.03693	6.9
294.04190	8.2
299.01855	7.4
300.02679	8.8
301.03424	4.2
310.03635	4.9
313.03381	12.5
322.03461	14.4
339.03824	14.8
340.01105	5.5
340.04633	42.5
341.04831	5.7
353.08731	6.8
357.04749	23.0
358.05624	15.5
384.09534	7.6
385.07660	4.7
397.07602	13.1
410.06491	3.6
426.10471	78.6
427.10574	9.4
452.08331	79.0
453.08652	7.8
521.09448	5.0
544.10718	15.3
562.12036	51.3
563.12305	12.4
605.24121	3.9
626.98444	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80527	0.3
57.03321	1.3
59.01248	1.0
61.92921	0.3
67.39060	0.3
67.63770	0.4
69.03352	0.5
69.95195	1.8
71.01257	0.7
72.99171	0.6
78.95792	0.6
93.03330	0.9
93.06970	0.6
95.04900	0.4
97.06461	1.0
106.04099	0.5
113.09609	0.3
121.10120	9.0
123.08027	0.4
125.09609	3.4
130.05263	0.3
136.79828	0.3
139.11194	0.4
139.13232	0.3
142.64276	0.3
147.08063	0.8
151.00267	1.0
165.12910	0.4
178.99771	1.0
179.10493	0.4
185.11752	5.9
191.06822	0.6
193.08244	0.5
197.11781	1.7
207.09956	3.7
209.07951	0.8
209.11755	0.6
211.13313	1.2
217.15851	0.7
227.18018	1.0
233.11496	0.4
243.17441	0.4
245.19037	8.1
246.19524	0.6
255.07719	0.5
255.13560	0.4
273.18564	0.5
277.21704	1.5
283.13495	0.5
291.19656	26.7
292.20084	2.6
295.16824	0.9
298.15433	0.4
311.16232	1.5
313.17841	100.0
314.18192	9.2
336.10297	0.5
357.10788	1.4
357.61090	0.7
380.29062	0.5
475.14975	0.8
536.48566	0.4
570.09930	0.5
605.37610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	4.0
59.01252	79.3
59.01538	5.6
61.98700	6.0
69.03334	3.4
69.79340	14.5
71.01250	16.1
73.02815	6.8
73.08655	2.5
74.59113	2.5
84.10027	3.1
85.02834	8.1
87.00774	2.9
89.02313	4.2
93.03342	7.1
95.01246	2.7
96.95885	3.1
98.19903	3.4
101.02341	11.0
103.84206	2.7
109.02895	4.7
113.02323	5.7
116.92735	14.6
125.02331	4.4
135.04425	10.4
137.00002	2.5
137.02283	4.8
148.71265	3.0
163.03889	3.1
173.04527	6.7
174.85359	2.7
187.07600	3.6
191.05566	15.5
195.82048	2.8
228.20436	2.9
299.87991	2.7
310.57294	2.6
311.22272	4.8
346.95346	2.8
357.22250	5.9
357.26492	100.0
358.26749	7.7
440.60498	3.0
561.32928	37.9
605.25623	3.2
605.34796	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51493	3.6
52.98137	3.6
59.01250	100.0
64.45350	4.3
69.00178	3.8
71.01256	19.7
72.99178	3.6
73.02818	7.2
83.04928	6.6
85.02830	9.0
87.00726	6.7
89.02310	14.7
93.03364	6.1
93.81861	4.1
95.01259	4.3
96.95905	3.6
101.02326	13.1
109.02821	10.7
113.02323	10.6
117.08536	4.1
121.02832	5.1
135.04407	40.4
136.04745	12.1
137.02425	4.1
163.07419	4.3
173.04510	8.8
191.05524	27.0
197.11737	20.0
207.10292	3.9
211.13451	6.3
253.09325	26.5
291.19797	27.3
309.20694	64.1
309.95627	3.9
357.16141	6.3
376.94958	4.3
382.41629	4.7
561.22699	11.8
561.31976	9.4
605.34619	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
54.24255	0.3
54.55941	0.4
55.62343	0.3
59.01245	0.3
59.73021	0.3
69.94009	0.6
69.94395	2.0
98.20649	0.4
106.06519	0.4
114.23550	0.4
121.10198	0.4
132.43390	0.3
171.10167	0.8
172.10480	0.4
193.25987	0.4
200.13512	0.3
219.44890	0.3
219.47105	0.3
228.22101	0.3
276.20483	0.6
277.21027	0.5
289.18015	0.7
290.18451	1.8
291.18665	1.6
292.19086	0.6
293.21231	0.4
294.21628	0.5
295.22214	0.7
307.19223	1.1
308.19452	2.0
309.19739	2.1
310.20157	0.9
397.95743	0.4
415.15152	0.7
416.16150	0.5
429.17358	1.0
430.18054	1.6
455.19186	0.4
457.20798	2.2
458.20847	0.5
459.17633	2.9
460.18542	0.8
461.23425	0.5
470.21432	0.9
471.18378	1.5
472.18808	1.1
473.19846	5.6
474.19919	0.9
485.18643	2.1
486.20673	4.9
487.21710	1.7
496.18942	1.1
499.17526	2.1
500.18332	0.6
501.23996	2.7
502.21725	0.4
503.21103	0.8
511.21680	2.5
512.21454	0.5
513.19519	3.0
514.20074	8.6
515.20209	1.3
517.18939	0.5
518.19482	1.4
528.21301	0.6
529.22437	100.0
530.22723	16.4
532.21002	1.7
533.21863	2.3
561.24951	0.9
573.21735	0.9
605.23859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22254	7.4
57.03295	7.3
59.01248	100.0
59.54867	7.0
69.03304	8.9
71.01250	50.9
72.99184	10.6
73.02821	33.5
73.52576	6.7
80.24139	6.9
83.01274	14.7
85.02845	17.4
86.14601	7.5
87.00764	13.1
89.02324	18.2
93.03334	26.5
96.95882	6.9
101.02341	41.4
109.02829	12.1
113.02320	22.0
115.03922	10.6
116.50741	7.3
118.98042	9.0
125.02346	13.2
135.04414	36.6
137.02310	17.2
151.00296	8.0
161.04451	9.8
161.05846	8.7
173.03163	9.1
173.04411	51.1
175.07716	8.2
188.30269	7.5
191.05553	26.8
229.79784	9.5
274.05551	7.9
293.25089	6.8
431.22827	20.4
509.42322	7.9
545.30280	12.4
605.18054	9.0
605.29004	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61829	0.9
70.62186	3.4
84.91992	0.8
111.17850	0.8
132.02094	0.9
232.82344	0.9
278.32492	1.0
316.38547	1.0
415.15674	1.5
423.17477	1.0
459.18304	1.8
460.18225	1.2
470.21127	1.6
471.17892	1.9
472.18619	1.3
473.19742	4.3
485.19684	1.7
486.20615	5.1
487.20956	1.9
499.17783	1.7
501.23251	2.0
511.21671	3.1
513.19403	2.7
514.20093	9.7
515.21204	1.2
518.19672	1.3
529.22449	100.0
530.22681	18.3
532.21637	1.3
533.21912	2.5
537.65295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	3.0
59.01257	100.0
60.01578	5.8
61.98697	8.3
63.87233	2.5
67.01764	2.5
67.42925	2.4
69.69234	15.3
71.00887	4.7
71.01259	53.0
72.01594	7.1
72.99157	3.5
73.02824	58.9
74.03145	8.5
75.00735	5.0
81.17336	2.4
83.01260	21.3
84.01611	3.2
85.02836	14.2
86.03127	2.5
87.00732	2.7
89.02310	8.5
93.03345	4.8
94.03652	2.7
95.01238	5.1
96.95894	2.9
99.00713	3.1
101.02324	53.5
102.02665	12.9
103.02823	3.0
108.02098	2.7
109.02840	13.2
110.20099	2.3
113.02340	19.3
114.02621	3.3
119.03407	4.1
119.78792	2.3
121.02857	7.8
124.01563	3.6
124.50385	2.3
125.02348	9.7
131.03410	4.6
134.03610	4.0
135.04437	25.9
137.02324	8.0
143.03459	2.5
147.04404	6.6
148.05046	2.8
149.02313	5.1
149.05954	5.5
152.01114	3.3
159.04419	4.5
160.04973	2.6
161.04428	5.0
162.04753	2.7
163.07555	4.2
173.04480	4.6
175.07593	5.4
176.07957	3.0
185.05945	3.6
187.07460	2.7
189.09207	13.2
190.09523	8.1
190.46989	2.3
191.05527	8.8
192.07831	9.1
193.08595	8.3
194.08983	7.4
194.93178	2.6
195.09119	3.0
199.07635	4.5
201.09142	9.3
202.09492	4.1
205.08672	7.5
206.08910	5.2
217.08632	7.5
219.10223	68.6
220.10577	46.7
221.10838	14.5
230.84631	2.7
295.13165	3.1
357.26486	22.4
381.17047	13.8
382.17361	25.0
383.17828	23.3
397.14957	2.6
398.15289	4.1
561.32782	10.1
604.24738	11.0
605.25299	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26316	9.3
53.77946	8.0
61.69688	8.4
71.01262	32.5
71.56676	10.9
85.02826	72.6
86.77545	8.9
87.15997	8.9
89.02313	17.6
96.04435	100.0
113.02348	22.9
117.11403	8.7
118.27394	9.2
129.01889	15.9
155.74152	8.8
158.04512	26.3
250.83932	8.8
262.05698	82.3
268.86130	8.5
341.10889	28.4
410.23361	10.7
491.54831	11.5
513.91626	9.7
604.18091	11.2
605.19098	31.8
617.95093	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15881	1.0
57.03328	1.2
57.24096	0.9
59.01242	1.5
62.93877	1.0
65.66227	1.1
71.04899	1.9
71.15830	2.4
78.95755	1.4
85.06479	1.1
95.04905	1.0
97.02882	1.2
98.20479	1.4
99.33185	1.0
107.19699	1.2
113.09621	1.9
119.08494	1.1
121.02706	1.0
121.10091	6.1
123.04381	2.1
123.07992	1.2
125.09628	2.3
127.11118	1.6
135.08018	1.4
137.09602	3.4
139.07516	1.8
139.11180	2.0
149.59648	1.0
151.11172	4.9
153.09135	3.0
167.10657	1.4
171.10184	31.3
171.11638	1.6
172.10503	2.4
176.11935	1.1
177.12787	1.4
185.11790	3.1
195.13834	1.6
199.22253	1.0
201.11194	3.0
209.11716	1.2
221.11774	1.7
247.20583	7.3
273.18570	1.4
275.20120	17.2
276.20468	1.4
277.21606	2.7
289.18161	3.3
291.19656	100.0
292.19943	12.4
293.21216	21.9
294.21600	2.0
307.19131	1.8
309.20694	98.1
310.21106	14.6
311.22232	28.8
312.22559	3.0
316.59293	1.2
325.20053	1.3
327.21606	1.4
540.53467	1.1
603.33752	1.3
603.42139	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78558	1.8
59.01252	2.7
66.80044	2.3
67.24706	2.0
71.49892	4.7
74.90051	2.0
75.85208	1.7
97.02821	3.9
97.28647	2.0
115.40261	2.1
121.06425	2.5
123.04388	4.0
123.08050	9.0
127.71063	2.0
137.09615	2.4
139.11223	5.0
142.02634	3.1
155.14293	2.6
171.10185	20.1
177.12735	2.7
199.13351	19.1
245.19128	8.7
247.16966	2.5
271.17120	2.8
277.21857	14.3
289.18091	76.7
290.18546	6.6
291.19736	4.2
292.19992	6.9
293.20596	3.4
295.22778	32.5
307.19128	100.0
308.19589	10.6
309.20615	4.9
310.21112	9.8
311.21631	9.3
360.22952	2.4
453.52036	2.2
585.41180	2.5
603.42114	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
69.25582	13.8
69.25999	3.0
69.34713	1.6
71.01258	4.9
80.77580	1.7
83.04889	1.5
97.06470	1.9
110.37791	1.9
123.08039	5.8
125.09596	3.3
129.80940	1.6
137.09618	2.5
139.11227	5.7
140.19481	1.6
155.10713	3.0
156.04039	1.5
167.10718	5.6
171.10172	10.5
172.10550	2.1
183.10150	2.6
185.11755	3.2
187.09668	2.7
201.11304	7.3
214.12131	2.0
227.12860	1.8
253.18048	5.7
277.21741	11.0
289.18066	4.5
291.19650	8.7
293.21152	12.1
307.19086	8.4
309.20706	34.6
310.21185	2.8
311.22247	100.0
312.22672	11.0
325.20166	12.8
343.21207	11.5
372.91989	1.5
585.41772	4.4
603.42694	13.7
604.43225	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.1
60.99179	2.4
69.44304	1.1
69.70838	1.2
78.95792	5.3
79.52567	1.2
87.00764	6.1
88.00286	11.4
88.98679	20.8
89.02320	100.0
90.02630	2.1
110.82005	1.1
110.98361	1.4
132.89021	1.3
156.39375	1.3
167.01035	2.1
189.40651	1.3
190.12581	1.1
190.63942	1.2
198.55685	1.5
218.52693	1.3
298.56995	1.3
305.24899	5.1
429.29486	1.5
431.21191	1.8
447.37189	1.2
530.32568	3.3
534.95636	1.3
543.20264	1.8
585.31299	2.5
603.32587	2.9
603.41656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11535	42.2
56.01890	38.0
59.01245	58.2
60.20915	44.1
70.40054	42.1
71.01267	48.0
71.58572	76.6
79.14594	51.6
83.43046	36.8
106.71600	40.9
171.10136	55.1
309.20752	100.0
546.46716	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.2
59.01250	76.5
61.98704	17.3
64.95213	2.6
70.33323	11.8
71.01257	15.7
72.99193	3.2
73.02828	4.8
75.00738	14.3
83.01254	4.7
83.04900	8.0
85.02827	9.9
87.00764	5.0
89.02330	10.6
93.03333	10.8
95.04915	7.2
96.95894	5.6
97.06483	4.8
101.02298	15.8
103.67936	3.0
109.02874	3.4
113.02300	7.0
119.04941	5.0
123.04398	3.8
123.08043	3.0
125.09620	10.1
135.04436	11.8
137.02362	4.5
149.06064	4.3
161.04457	6.5
163.11104	6.3
165.04022	20.2
171.10098	4.7
173.04564	7.1
191.05551	25.0
191.14362	4.8
209.11717	14.2
211.13254	4.2
241.64899	3.1
245.18958	16.1
253.09235	34.7
289.18088	100.0
290.18433	9.7
307.19135	74.0
308.19534	6.5
361.52463	3.2
569.83813	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.9
60.99163	1.2
71.58588	1.5
78.95775	0.8
82.58069	0.7
87.00750	7.9
88.00282	10.7
88.01098	0.9
88.98684	11.4
89.02318	100.0
90.02659	1.6
114.92323	0.9
156.24936	0.8
277.21646	2.2
278.21979	1.2
279.56180	0.9
305.24918	1.0
530.32373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.9
59.01253	64.6
61.98699	4.9
69.74135	22.3
71.01248	15.4
75.00752	3.6
81.41769	3.3
81.42791	2.6
83.04903	4.2
85.02808	4.7
89.02322	6.6
91.05400	3.1
93.03307	4.0
95.04919	2.9
96.95908	5.3
97.06471	11.4
98.20536	4.4
101.02326	13.3
109.02830	7.7
111.08048	3.5
113.02321	9.2
121.02834	3.7
135.04427	22.5
149.05937	5.5
151.11194	10.3
155.10670	4.8
161.04414	5.8
163.11064	4.3
165.12738	14.0
171.10220	3.4
173.04515	3.5
175.03998	3.3
179.10732	3.9
181.12285	8.4
191.05507	8.0
191.10719	7.3
209.11757	43.8
210.12068	4.8
227.12874	15.5
232.60835	3.0
245.19101	14.2
253.09235	32.6
263.20169	20.7
289.18097	29.9
296.21436	3.7
307.19135	100.0
308.19485	6.2
333.89151	3.5
339.16025	8.6
354.16757	2.9
445.20706	16.7
460.19492	4.9
543.28345	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01640	2.5
54.82517	2.6
57.03318	5.3
59.01252	80.9
70.58498	9.3
71.01247	21.1
72.45438	2.7
72.99172	5.0
73.02836	4.1
83.04897	6.2
85.02827	5.6
87.00763	3.3
87.96597	2.7
89.02328	15.1
93.03352	9.1
96.95901	3.8
97.06472	12.6
101.02312	15.2
109.02815	6.6
111.08012	5.0
113.02348	6.4
119.03352	3.9
123.04391	4.4
125.02304	3.0
135.04396	9.7
137.02321	7.7
149.06050	3.5
151.03896	4.1
151.11165	12.6
165.12746	11.8
169.12256	3.1
173.04517	8.5
179.10617	5.2
181.12270	13.4
183.13844	3.4
191.05582	18.4
191.10696	7.0
209.11772	46.1
211.13359	6.2
227.12830	22.4
227.14955	4.0
245.19118	14.8
246.19568	2.9
253.09308	35.8
263.20123	26.5
271.17029	3.8
289.18115	29.1
290.18765	3.5
298.84650	3.4
306.59720	3.2
307.19159	100.0
308.19510	10.3
361.91299	3.0
395.98831	3.0
445.20807	16.4
451.08740	3.8
543.27948	8.0
559.26910	6.5
603.16010	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00309	0.9
55.01757	1.5
56.98715	1.0
58.00467	1.6
59.01253	77.4
61.31295	1.1
69.03329	1.7
70.55367	3.4
71.01256	42.5
72.99181	1.9
73.02821	65.6
83.01259	19.9
85.02819	4.3
87.00761	1.2
89.02316	5.7
93.03349	1.8
96.95883	3.0
97.02818	1.4
99.00761	1.7
101.02326	47.3
105.06983	1.1
109.02831	1.3
111.25594	1.0
113.02336	10.3
119.03416	1.5
121.02847	2.8
123.04383	2.5
125.02356	2.5
131.03369	2.6
132.40800	1.0
134.03632	6.1
135.04393	8.7
143.03371	1.9
145.02823	1.1
147.04451	6.7
148.05196	3.9
149.04494	2.8
149.05972	8.2
159.04399	5.7
160.05197	2.4
161.04428	8.3
161.05856	2.4
163.07513	2.4
171.04535	1.2
175.07584	8.9
185.06006	4.1
187.07559	4.5
188.08315	3.0
189.09123	15.4
191.05576	3.5
193.08630	15.0
199.07509	3.0
200.08292	1.8
201.09122	15.6
205.08672	10.1
219.10213	100.0
220.10553	7.3
231.10233	1.5
281.08282	1.5
351.15964	3.4
355.15451	4.5
363.15839	5.2
381.17062	53.6
382.17358	6.1
397.15021	6.7
559.21912	2.1
559.31207	3.2
561.23444	2.5
603.24554	32.7
604.24908	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68085	0.8
55.01744	2.0
56.69294	0.9
57.03328	1.2
58.00459	1.3
59.01251	81.2
69.03344	1.9
69.34430	4.2
69.34859	5.2
71.01254	35.4
72.47819	0.8
72.99184	2.1
73.02819	70.2
73.30550	1.0
74.03142	1.3
77.38358	0.9
83.01260	19.8
85.02815	5.0
86.86285	0.9
87.00730	1.3
89.02318	8.3
89.52672	0.9
95.01238	1.3
97.02812	1.9
101.02324	49.8
109.02770	0.8
113.02324	14.8
116.92754	1.6
117.06948	1.0
119.03388	3.5
121.02860	1.7
121.06487	1.2
123.04430	1.2
125.02360	2.3
131.03394	4.6
133.06454	0.9
134.03603	4.8
135.04448	4.5
137.02315	1.0
143.03409	3.3
147.04449	5.6
148.05199	4.3
149.04446	3.7
149.05966	3.3
155.03438	0.9
159.04436	5.2
160.05219	2.2
161.04482	9.4
161.05809	1.8
171.04430	1.8
173.04543	1.0
173.05911	1.4
174.06734	1.0
175.07588	8.3
185.05992	3.9
187.07585	3.5
187.73703	1.0
188.08345	3.3
189.09164	15.7
190.09416	1.6
193.08600	12.4
194.09048	1.0
199.07611	4.1
200.08171	1.7
201.09129	13.6
205.08653	8.0
219.10210	100.0
220.10512	5.9
221.06648	1.1
231.10254	1.7
281.08292	1.5
321.31851	0.9
351.15930	2.3
363.16046	4.3
381.17056	51.6
382.17450	7.8
385.52118	1.1
397.14880	4.2
543.22559	1.5
561.23425	2.9
583.48267	1.0
603.24524	33.5
604.25043	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68307	1.7
51.12206	1.4
59.01265	8.3
65.03818	3.0
69.37108	5.4
69.37535	10.7
75.87708	1.6
86.84837	1.4
91.05415	11.5
93.03333	2.0
97.02713	1.6
102.00144	2.1
109.02830	12.7
121.02834	10.6
123.81056	1.8
129.41074	1.8
135.04414	100.0
136.04747	4.0
147.04391	4.9
151.39677	1.7
159.28902	1.6
169.13460	1.5
175.07437	2.2
177.72112	1.9
191.05511	2.4
207.10330	2.1
218.09433	7.2
233.11809	17.5
355.15503	55.7
356.15796	6.0
508.46964	2.0
518.02649	1.8
543.74121	2.0
559.21863	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65099	2.1
55.01748	3.3
57.03331	4.1
59.01255	100.0
61.74484	2.4
67.01744	2.3
69.41965	5.3
69.42384	17.1
71.01250	36.8
71.01608	2.7
72.01570	2.3
72.99179	2.4
73.02823	11.6
75.49671	2.1
79.88032	2.3
81.03336	2.4
83.01244	5.8
83.04865	2.3
85.02814	18.7
87.00764	7.9
89.02322	17.0
91.05409	4.8
93.03345	9.0
95.01286	3.3
96.95869	12.9
96.96838	2.8
97.02855	2.9
99.04407	3.1
101.02328	22.4
107.04884	2.8
109.02847	16.4
111.00775	3.1
113.02335	13.5
116.92747	8.7
119.03391	4.9
119.04940	4.2
121.02861	7.8
121.06434	2.7
123.04426	5.5
125.02334	4.0
135.04422	57.4
136.01544	2.4
136.04791	3.6
137.02345	7.2
147.04416	2.6
149.04440	2.5
151.00305	2.5
159.04414	7.3
161.02306	4.0
161.04526	3.9
161.05995	5.1
164.06985	3.5
165.05499	3.0
167.14438	2.7
171.10211	4.5
173.04478	15.9
175.07529	6.8
177.01807	4.2
188.07111	8.4
189.09195	2.8
191.05536	24.7
193.08647	6.2
201.09140	3.4
203.06993	2.4
209.11847	3.6
211.13353	4.4
219.10103	5.4
229.14378	6.5
233.11797	9.0
272.18585	4.4
272.29080	2.6
281.21097	3.2
355.11917	2.6
355.15594	25.2
355.25009	5.0
356.15625	4.3
368.10394	2.5
399.17648	3.1
399.82501	2.7
483.31143	2.5
543.35559	5.3
559.22626	4.3
559.31287	11.9
602.35297	13.8
603.35895	36.9
604.36285	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14149	1.6
59.01248	13.2
65.03825	1.9
70.04295	3.6
70.04704	6.2
71.01251	2.8
85.02783	1.9
91.05399	10.5
93.03318	4.8
98.20497	2.5
109.02841	14.0
121.02852	10.3
126.90406	2.1
129.90947	1.6
135.04414	100.0
148.05208	8.8
161.78601	1.7
163.07588	16.2
173.04552	1.8
191.05547	4.1
233.11861	13.3
355.15472	34.7
356.15829	5.4
510.76807	2.2
559.21796	28.4
560.21991	4.4
633.68542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	90.4
63.92698	6.6
70.35457	30.5
71.01265	39.3
73.02811	67.7
83.01259	14.0
85.02795	7.3
89.02304	9.1
91.05398	14.0
94.06212	5.7
101.02296	52.0
109.02882	9.4
113.02318	13.7
121.02847	14.2
135.04419	100.0
139.82944	6.9
143.27840	6.8
161.04402	7.8
191.05469	7.3
269.83704	6.6
291.08179	6.4
328.07471	7.8
337.14432	27.3
355.15497	16.6
413.77692	7.6
559.21942	38.0
603.24194	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84620	2.3
59.01222	3.1
59.97112	1.9
65.03835	2.6
69.95567	1.9
70.45866	7.7
70.46215	1.8
85.38789	2.0
91.05405	12.0
109.02841	16.2
121.02818	10.2
135.04414	100.0
135.05441	5.0
136.04733	3.6
148.05179	5.9
163.07620	10.8
229.56116	2.3
233.11848	11.2
279.89752	2.3
285.11456	2.1
350.19321	2.3
355.11185	4.4
355.15488	64.9
356.15839	5.1
399.57321	2.4
455.16342	2.1
485.90482	2.3
559.21844	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	69.2
60.01587	2.7
69.77009	1.8
71.01255	25.8
72.99207	3.9
73.02826	34.2
83.01270	9.1
85.02823	5.2
87.00764	2.8
89.02303	8.5
91.05423	9.5
93.03336	5.2
96.95899	4.7
98.20566	4.7
98.84783	2.1
99.04385	2.2
101.02328	29.3
107.04909	8.7
109.02826	4.1
111.26868	1.9
113.02333	10.1
116.92719	4.1
119.03350	4.4
123.04448	3.3
125.02377	2.5
131.07384	1.9
133.02844	6.9
135.04416	44.4
136.04713	2.9
143.03339	2.7
147.04410	2.3
149.02211	2.5
154.17453	2.0
161.02351	100.0
161.04494	5.7
162.02678	5.4
173.04477	6.4
175.07565	46.1
175.09024	4.2
176.00983	4.4
176.07967	2.4
191.03656	4.0
191.05568	12.3
193.01622	2.4
319.09747	14.6
337.10815	14.6
372.15564	1.9
397.15027	8.5
399.24136	2.4
559.18127	15.2
559.31213	4.3
560.18268	3.6
603.33929	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	34.5
67.19817	2.4
69.77637	2.1
71.01241	7.0
71.58321	2.9
85.02831	4.9
88.44424	1.9
89.02319	3.9
91.05427	9.9
91.53947	2.0
93.03365	5.3
96.95901	2.2
97.02835	4.6
99.82785	1.9
101.02318	5.1
109.02885	3.7
111.04477	2.1
111.08038	2.6
113.02303	3.9
119.03351	2.6
121.02871	2.8
125.09660	3.9
133.02800	4.9
134.03566	5.0
135.04417	100.0
136.04703	4.1
149.02324	2.7
149.05951	5.8
158.70476	2.0
161.02341	2.7
165.69766	2.0
173.04466	6.4
177.09056	5.9
191.05544	9.3
203.10738	18.5
205.30879	2.4
209.11719	5.8
219.10226	12.9
245.18974	3.7
253.09224	8.6
289.18054	23.8
307.19168	18.9
337.14758	2.1
339.15997	18.1
340.16556	2.7
363.20248	2.6
439.20041	4.2
444.75589	2.2
552.78876	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87563	0.4
57.03323	0.9
59.01251	0.8
64.62614	0.4
69.03316	1.3
69.27875	1.2
69.28278	3.7
79.89326	0.4
81.79146	0.4
83.04871	0.5
89.38944	0.4
90.27966	0.4
97.06530	0.7
107.08559	1.6
109.06475	0.8
110.30730	0.4
111.08000	0.7
119.08557	2.7
123.04350	0.7
123.08038	0.7
125.09584	1.5
127.11189	0.4
135.08023	0.7
135.40498	0.4
137.09624	8.5
139.11177	2.0
149.09641	0.6
151.11212	1.0
152.08351	0.5
153.09166	0.6
160.82491	0.4
162.87856	0.4
167.10674	1.4
171.10181	19.4
172.10501	1.2
181.14638	0.5
183.10126	0.9
185.11720	2.1
195.13828	0.5
197.11734	1.0
199.13319	1.4
201.11258	2.3
211.13286	0.6
213.11266	1.1
221.11946	1.0
223.16960	0.4
227.12953	0.6
229.19449	0.5
235.13353	0.6
237.14938	0.5
239.12894	0.5
240.13596	1.3
247.20639	2.5
248.21109	0.5
248.74622	0.5
273.18719	2.5
281.21179	0.5
291.19662	43.0
292.19864	3.9
307.19275	0.6
309.20709	100.0
310.21033	8.9
312.81332	0.5
445.29593	0.7
565.39191	0.7
583.39899	1.4
601.32971	0.7
601.41254	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69389	0.5
57.03321	0.8
57.13096	0.4
57.52911	0.4
59.01238	0.8
61.95123	0.4
69.03326	3.3
71.04922	0.8
71.22266	0.7
71.22616	0.7
72.59892	0.5
78.95788	0.6
80.02571	0.5
97.02837	1.2
101.84909	0.5
107.08536	1.9
119.08567	5.1
123.08029	0.6
125.09616	1.9
127.11208	0.7
135.08066	1.5
137.09622	14.0
139.11185	2.8
151.11256	0.8
152.99467	0.6
153.09201	0.6
155.10646	1.2
167.10648	1.9
171.10184	47.4
172.10522	2.0
178.42389	0.5
183.10158	1.2
185.11780	1.8
199.13383	1.3
201.11267	4.0
211.13341	1.7
213.11250	1.4
214.12099	1.0
227.12840	0.7
240.13557	0.9
247.20691	1.9
273.18594	2.9
289.18164	0.9
291.19659	31.9
292.19943	3.0
293.21283	0.6
307.19202	1.5
309.20709	100.0
310.21060	8.9
325.20334	0.6
461.71576	0.5
557.36908	0.6
583.39978	1.5
601.32526	0.7
601.41113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.4
59.01234	1.0
62.01055	0.6
64.95475	0.6
71.20856	1.9
74.92064	0.6
82.39790	0.6
83.04905	0.8
97.06461	0.7
107.08532	2.1
125.09615	2.7
137.09628	1.4
139.11185	3.0
141.09116	0.7
144.21625	0.5
153.09138	1.3
153.12746	0.8
155.10683	1.1
165.12695	0.7
167.10699	1.6
171.10193	3.5
183.10172	1.2
185.11723	1.5
193.15845	0.9
199.09666	1.4
199.13258	1.6
200.10464	1.7
201.11200	2.0
213.11282	2.2
214.12056	0.8
239.64035	0.7
240.13622	1.6
247.20601	3.5
263.20172	0.9
265.21619	0.8
273.18634	1.7
281.21323	1.0
289.17868	0.7
291.19672	23.0
292.19946	2.0
305.17688	0.9
309.20700	100.0
310.21030	9.1
335.22400	0.7
510.50436	0.7
583.40125	1.2
601.41095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52768	1.1
56.15633	0.9
57.03324	2.0
59.01252	2.1
64.99596	0.9
79.25244	1.0
95.40089	1.0
97.02838	2.4
99.86001	0.9
121.06546	1.5
121.10089	5.1
123.04408	4.3
123.08030	7.7
137.09573	3.0
139.11200	3.3
142.02594	1.1
149.09587	1.5
151.11183	3.0
155.14276	1.6
171.10176	19.2
177.12871	1.4
198.12100	1.0
199.13330	15.9
200.13667	1.3
221.11853	1.2
233.15532	2.0
235.17032	1.1
245.19168	7.5
247.17122	1.3
271.17093	2.0
275.20120	16.4
276.20547	1.5
289.18082	64.3
290.18466	7.6
291.19611	7.1
293.21176	16.4
294.21515	1.1
307.19141	100.0
308.19476	9.7
309.20673	14.8
310.20929	1.8
311.84839	1.1
502.80875	1.1
530.99945	1.0
601.41205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02049	0.5
59.01237	1.9
69.24709	1.5
69.25122	5.3
71.62174	0.5
85.02831	0.9
87.00749	100.0
88.00279	12.2
88.01096	1.2
101.02341	0.6
104.48917	0.5
113.02297	0.8
128.63557	0.6
156.23343	0.5
158.57382	0.5
198.35733	0.5
253.09155	0.7
277.18906	1.0
277.21744	11.1
278.22003	1.6
303.23193	0.5
323.09583	1.0
581.07257	0.6
613.95129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80338	1.0
53.73876	1.1
59.01254	20.2
71.01260	4.4
71.04886	5.5
78.95781	2.6
89.02312	3.3
95.04889	1.2
96.95889	7.8
97.06459	2.1
101.02322	3.2
107.04892	1.0
109.02862	1.0
112.65575	1.0
113.02341	1.8
119.08548	1.5
121.10185	3.1
123.08038	1.0
125.09618	3.3
134.19571	1.0
137.09637	6.2
152.99529	3.2
154.95082	1.1
171.10165	20.2
185.11816	4.9
197.11731	1.1
199.13336	1.3
235.08273	1.4
251.16553	8.1
253.09244	18.2
253.21597	1.3
253.31860	1.4
265.04913	1.6
273.18683	2.6
277.21762	3.1
279.06540	1.7
289.18054	1.6
291.19662	39.5
292.20001	3.9
293.20993	1.4
305.24854	100.0
306.25153	10.6
309.20697	51.1
310.21091	6.0
377.48404	1.1
429.20609	12.1
430.21167	2.0
525.15167	1.1
583.30566	11.2
583.39929	3.1
584.30878	3.0
601.31683	5.9
601.41089	19.3
602.41437	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34423	0.5
56.44651	0.5
57.03327	3.5
58.54656	0.5
59.01266	1.0
60.68195	0.5
61.72671	0.4
62.36927	0.5
69.03301	0.7
70.91489	1.3
71.61640	0.5
83.04858	0.7
87.02288	0.6
95.04933	0.8
96.95906	0.5
97.06474	12.3
113.84705	0.5
123.08047	6.6
124.08574	0.7
125.09615	100.0
126.09964	4.5
143.10692	1.1
169.08600	3.0
187.09685	77.0
188.10049	3.2
201.11150	0.6
215.13295	0.5
225.11275	1.5
243.12331	2.0
261.13412	9.9
262.13797	0.9
267.54742	0.5
413.21716	1.2
431.22836	30.0
432.23163	3.2
583.30829	1.2
601.32294	68.8
602.32605	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36765	0.8
57.22089	0.9
59.01236	1.5
60.90411	0.9
63.75568	0.9
69.03320	1.5
71.04879	0.9
71.07083	1.8
85.26182	0.8
101.76698	0.9
102.97033	0.8
119.08553	1.4
121.02839	1.6
125.09637	1.2
134.03621	1.2
137.09610	4.7
146.03668	1.9
152.99443	1.2
162.10538	0.9
171.10179	14.4
172.05269	1.1
175.07538	1.0
177.09183	5.7
183.04510	1.0
185.11702	2.3
187.07475	1.0
189.09167	2.6
201.09186	1.6
209.05994	2.7
211.03841	0.9
221.06026	2.8
223.03963	2.9
223.07590	0.9
224.04797	2.0
225.05431	1.0
225.09142	1.4
227.10725	1.8
237.05518	1.2
251.16460	2.2
253.05031	10.3
254.05414	1.1
265.05017	22.5
266.05396	2.6
267.10657	1.1
273.18597	2.4
279.06699	1.6
279.10367	1.4
280.11084	1.4
287.12735	1.5
291.10144	1.4
291.19641	12.0
293.04666	1.5
305.04742	1.2
307.19107	1.0
308.10541	8.9
309.11273	9.1
309.20709	15.0
313.10690	1.4
321.11304	5.5
322.12039	2.4
335.12729	1.4
348.09982	8.3
349.10498	2.3
385.14514	1.0
429.20663	2.7
447.21777	3.3
465.22552	1.0
491.20636	2.4
517.29279	4.6
583.30750	9.6
584.30634	1.7
601.31738	100.0
601.40479	5.0
602.32050	19.7
602.41125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45309	1.2
55.01756	2.0
57.03334	2.8
58.00476	2.9
59.01250	47.4
69.03326	2.4
71.01254	55.5
72.99183	4.1
73.02820	11.9
78.95781	3.3
79.64689	1.4
83.01258	13.8
85.02829	15.6
87.00752	70.9
89.02316	40.4
95.01285	4.1
96.95889	6.0
97.02869	3.0
99.00761	3.5
101.02318	32.7
109.90015	1.3
113.02335	38.9
115.03961	2.0
119.03385	15.2
123.81030	1.4
125.02312	3.7
129.01851	2.7
131.03386	3.5
141.01871	6.6
143.03380	7.2
149.04375	2.1
152.99513	1.5
159.02885	1.6
161.04477	13.9
171.10213	2.0
179.05527	22.6
273.22238	3.8
277.21707	100.0
278.22095	8.5
291.23309	30.5
292.23560	2.4
301.21790	2.5
305.71014	1.3
319.22729	8.4
323.09796	15.4
324.09982	1.4
341.10858	51.1
342.11221	3.2
349.23648	1.4
601.40973	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05550	0.5
56.14748	0.5
59.01244	1.5
69.44250	0.5
69.66515	0.5
73.23599	0.5
76.08691	0.5
78.95813	0.5
87.00752	100.0
88.00278	15.8
88.01088	1.4
92.35361	0.5
98.20589	1.2
171.10330	0.6
198.91435	0.5
221.40816	0.6
229.82632	0.6
277.21765	3.0
311.56799	0.5
429.20676	0.7
583.30951	1.3
600.17615	0.5
601.31598	1.9
602.31805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.9
58.00462	1.3
59.01253	67.4
61.98702	0.9
65.52184	0.8
67.01757	1.5
69.03324	2.0
71.01257	42.7
71.13735	2.0
71.14069	0.8
72.99183	2.4
73.02821	46.2
74.02351	1.5
75.96185	0.8
80.73172	0.9
83.01263	16.4
83.04871	1.6
85.02821	5.3
87.00751	2.3
89.02325	5.8
91.05427	1.1
93.03332	4.6
95.04900	1.7
96.01727	1.0
96.78094	0.8
96.95885	1.3
99.00741	1.7
99.05483	1.4
101.02328	42.0
108.02021	2.6
109.02857	6.0
113.02326	9.1
119.03378	2.5
121.02853	5.8
123.04425	1.3
125.02339	2.5
128.03419	3.6
131.03400	3.1
133.02858	6.2
134.03642	13.9
135.04440	6.9
143.03413	2.6
143.04527	5.4
146.03600	1.3
147.04451	5.8
147.08084	4.1
148.05200	9.0
149.04457	1.9
149.05981	1.0
151.00208	1.0
157.06567	1.0
159.04430	16.3
160.05132	3.1
161.04471	4.3
161.06006	3.4
163.07533	4.5
171.08032	1.9
171.10161	2.7
173.04449	2.3
173.06003	2.3
173.09622	4.6
174.06732	2.7
175.07570	3.2
176.04771	1.3
187.07654	1.3
188.04697	1.0
188.08359	2.1
189.09137	18.3
191.05499	5.2
191.07069	13.4
192.07368	1.4
199.07596	2.6
201.05542	1.8
202.06270	5.5
203.05190	1.1
203.07066	16.3
210.08707	2.0
211.13402	1.4
212.08052	0.8
216.07942	4.6
217.08650	100.0
218.08929	7.5
223.13469	1.2
226.13573	0.9
228.40483	1.0
229.08775	2.5
235.16901	1.7
253.09258	7.0
254.07817	2.7
255.08057	1.1
272.08859	2.8
273.09137	2.6
274.09491	1.4
275.20184	4.6
281.08102	3.7
293.21210	22.9
294.21506	1.9
351.16006	3.0
364.13214	2.0
379.15479	74.8
380.15887	9.3
397.15167	3.5
541.20563	1.1
559.21893	3.5
601.22913	29.9
602.23328	6.8
602.34210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98349	2.3
57.03329	4.0
65.03833	53.8
69.03314	2.8
69.32566	15.8
69.32988	7.9
71.04898	18.9
78.95759	3.5
83.04915	3.3
97.06467	40.6
105.63242	2.4
112.04848	2.4
113.31939	2.3
119.08553	15.3
119.63837	2.6
121.06487	67.0
122.06833	2.8
123.08029	6.7
125.09614	30.7
135.08028	2.2
137.09593	19.4
171.10182	100.0
172.10507	3.4
177.01878	5.1
185.11761	43.8
209.11742	26.0
211.13310	18.0
229.19502	2.6
233.15443	4.5
235.13350	51.8
236.13678	4.3
245.19093	2.9
273.18579	7.2
289.18103	33.9
290.18289	2.8
291.19641	33.5
292.19904	3.6
293.21149	2.6
305.17596	4.5
307.19147	83.2
308.19351	7.1
309.20728	14.4
337.22324	2.7
355.22974	6.5
423.93661	2.4
427.28268	4.3
519.37659	2.7
536.49695	2.5
581.38391	6.0
599.30914	4.3
599.39880	15.6
600.40515	3.3
615.11530	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24555	1.0
55.46255	0.9
57.03315	4.1
59.01252	1.6
61.31251	0.9
62.96284	1.3
65.56315	0.9
69.03343	1.2
69.40689	10.0
78.95773	25.2
93.03420	0.9
96.96834	5.6
97.02832	1.3
97.06471	1.9
106.36063	1.0
107.04925	1.4
110.03601	2.0
111.08046	1.2
121.06461	2.3
121.10136	6.5
123.04431	7.1
123.08054	11.9
125.09642	6.3
137.09613	1.3
139.11171	4.7
142.02611	2.5
149.09619	2.4
151.11183	4.7
152.99504	19.5
155.14304	2.2
171.10191	1.3
177.12785	2.4
183.10028	1.4
185.11749	9.3
197.11769	2.7
199.13336	21.5
209.11519	1.2
211.13324	1.6
217.15988	1.3
221.11740	2.2
233.15399	1.8
241.01123	10.9
243.17686	1.2
245.19089	9.0
247.16919	1.8
271.16989	2.2
283.26431	22.0
284.26709	3.2
289.18109	85.4
290.18436	9.2
291.19681	49.2
291.23010	1.2
292.19919	5.4
307.19144	100.0
308.19427	9.4
309.20667	7.0
315.04816	4.1
419.25964	2.6
599.31989	33.8
600.32306	5.5
628.39319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.3
59.01240	5.7
61.74014	1.7
69.53037	12.7
78.95774	73.7
96.96832	15.3
97.02818	2.8
97.06463	2.2
107.08519	2.7
110.03567	1.7
119.08543	4.2
121.10107	2.4
123.04383	5.1
123.08061	5.7
125.09595	5.5
135.08072	2.4
137.09601	7.9
139.11168	4.3
151.11130	2.6
152.98329	3.7
152.99493	66.4
163.11147	3.2
166.08694	1.7
167.10593	2.4
171.10170	22.0
177.12717	2.2
179.10709	2.2
183.10063	2.3
185.11755	7.6
191.14275	2.4
199.13322	8.7
209.11768	2.3
213.11423	2.9
223.00026	2.7
241.01158	35.3
243.26508	2.1
245.19084	10.9
245.95490	1.7
247.20651	1.8
277.44275	1.7
283.26416	66.6
284.26749	7.6
289.18082	68.5
290.18436	8.5
291.19684	46.3
292.19940	6.9
305.17615	2.4
307.19131	92.0
308.19409	10.2
309.20709	43.7
310.21002	3.7
315.04776	11.1
325.20242	2.5
419.25745	4.6
485.32983	2.3
581.38843	4.3
599.31952	100.0
599.39691	5.8
600.32227	16.9
600.40283	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3202
Annotation	CHEMBL3780056
Peak:m/z	Relative Intensity
52.96997	0.8
56.86849	0.9
70.90655	2.9
74.25349	0.9
78.95777	70.2
79.63475	0.9
79.89861	0.9
86.95301	0.9
96.87875	1.1
96.96837	14.8
120.82448	1.1
125.09548	1.6
125.11452	0.9
141.09087	1.0
152.99486	60.7
171.10178	1.1
184.27782	1.0
199.13278	1.2
201.11311	1.3
223.00049	2.3
229.10706	1.0
241.01131	36.2
242.01678	1.0
283.26416	76.0
284.26779	8.1
289.18097	4.5
291.19556	4.0
297.44272	1.1
307.19153	4.2
309.20636	12.9
315.04764	10.5
321.17099	1.2
380.68225	1.0
419.25662	6.1
599.31982	100.0
600.32355	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75245	0.5
58.05735	0.4
59.01249	4.7
65.03801	0.6
67.01758	1.1
71.01250	2.3
71.58492	0.9
73.02823	0.6
78.95789	2.8
79.95605	2.4
81.61285	0.5
83.01253	0.5
85.02820	3.2
87.00746	1.8
88.98684	0.6
89.02330	1.0
93.03333	8.4
95.01277	0.6
96.95892	100.0
96.96777	5.3
98.02344	3.0
101.02312	0.9
101.05964	3.3
108.02077	1.0
109.02850	2.0
111.04427	1.3
113.02347	0.8
121.02851	0.9
124.83036	0.6
125.02327	0.5
127.03848	0.5
133.02820	0.7
135.04419	8.5
136.04718	0.6
137.02359	3.3
152.01071	1.1
153.01810	1.3
155.03410	1.1
161.02351	2.8
165.01801	0.6
165.05580	0.6
173.04474	9.6
179.03423	6.0
191.05545	43.8
192.05832	1.4
219.92073	0.5
275.11368	3.8
315.12378	0.7
316.12729	1.1
335.07654	3.2
353.08762	6.0
369.21085	0.5
599.19739	7.1
600.20416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61352	0.6
57.03317	0.9
59.01251	11.6
61.98687	1.9
66.19740	0.6
66.69083	0.6
67.01759	1.2
69.03321	0.8
71.01250	5.5
71.58141	0.5
72.99182	1.2
73.02829	2.2
78.95769	1.7
79.95588	0.7
81.03356	0.6
83.01282	0.8
83.04921	0.8
85.02821	14.1
87.00732	3.2
89.02313	1.7
93.03334	10.2
95.01272	0.9
96.95909	3.9
99.04386	0.9
101.02328	2.5
101.05952	4.3
102.98485	1.4
108.02056	2.2
109.02821	2.9
111.00772	0.7
111.01892	1.1
111.04413	2.2
113.02332	2.4
117.03332	1.4
119.03410	1.2
119.04976	0.7
121.02811	0.9
123.04411	1.4
125.02331	1.1
127.03901	3.9
131.03345	0.7
132.02122	1.4
133.02856	8.6
134.06064	0.9
135.04422	8.2
137.02368	4.0
146.06107	0.8
147.04442	0.6
149.06038	0.6
151.03819	0.8
152.01099	1.2
153.01810	1.7
155.03416	0.7
155.08131	0.7
160.01579	2.3
161.02348	45.5
161.04489	1.3
162.02719	2.2
165.01779	1.3
166.98022	1.0
173.04480	10.5
177.05421	0.8
179.03384	4.9
180.06540	1.2
191.05542	100.0
192.05888	3.2
195.06616	1.0
203.63466	0.8
263.89255	0.5
266.11932	0.7
275.11340	2.7
283.05032	0.9
327.13455	1.0
335.07697	3.6
353.08710	1.4
407.13452	28.8
408.13718	3.4
425.14413	2.0
435.15442	1.8
437.09039	1.4
473.98834	0.7
479.14935	0.9
599.19922	22.5
599.28699	4.8
600.20471	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
57.71482	0.4
59.01246	6.6
60.99188	0.5
61.44239	0.5
61.98700	0.6
62.21188	0.5
67.01763	2.0
67.33607	0.4
69.03317	0.9
70.92081	1.3
71.01254	4.6
72.99187	0.9
73.02817	1.0
75.00737	1.1
78.95787	3.8
79.95612	2.5
81.03329	0.8
83.01261	0.6
83.04910	0.6
85.02825	7.6
87.00746	3.4
88.98657	0.5
89.02319	1.5
90.11834	0.4
93.03339	14.2
94.03673	0.5
96.95892	74.0
96.96783	4.6
97.02790	0.5
98.02350	1.8
99.00742	0.7
101.02323	1.9
101.05955	3.0
106.93909	0.4
108.02071	1.7
108.04475	0.8
109.02860	2.7
111.00696	0.7
111.04369	2.5
113.02331	1.6
119.03377	0.4
121.02837	1.4
122.03680	0.6
123.00759	0.7
123.04393	1.2
125.02349	0.4
127.03901	1.8
133.02834	1.5
135.04414	13.1
136.04787	1.0
137.02390	2.8
143.03510	0.6
149.02364	0.5
150.03088	1.3
151.03929	0.7
152.01077	1.4
153.01846	1.6
155.03416	1.1
161.02373	5.7
161.04529	0.4
163.03867	0.6
165.01814	0.7
165.05453	1.1
173.04485	12.0
177.01819	0.9
179.03423	9.7
179.04971	0.8
180.03708	0.5
191.05542	100.0
192.05908	4.2
195.06709	0.6
221.85144	0.5
275.11417	5.9
276.11481	0.6
315.12378	0.8
335.07822	2.9
353.08740	12.5
354.08997	0.8
357.08939	0.6
358.04700	0.5
403.13956	0.7
437.14136	0.7
480.18024	0.6
506.85617	0.7
564.68933	0.5
599.19659	10.0
600.20245	1.6
627.23969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07501	0.7
54.81942	0.8
58.02851	13.5
59.01250	5.0
61.98706	1.0
66.03359	1.7
68.04917	1.2
70.97217	0.8
71.01257	2.0
72.00778	1.1
72.97427	1.3
74.00567	1.2
74.02343	26.7
81.04441	1.7
82.02856	3.7
84.04417	1.1
85.02836	0.9
86.02349	12.5
86.05989	2.6
86.98997	1.2
87.05516	3.9
89.02333	0.9
93.03337	1.8
95.02362	1.1
96.04460	1.4
96.95906	1.0
97.03957	3.4
99.05521	23.0
100.00297	2.8
100.16706	0.7
101.07095	4.5
102.05486	5.5
107.06068	1.2
109.02852	1.0
109.03971	5.2
109.07592	1.5
111.05506	1.8
112.03951	3.0
113.02327	1.0
113.03455	0.9
123.05532	2.7
124.03952	1.2
125.03457	3.3
127.05026	4.2
128.03427	72.5
129.03767	1.8
135.04456	1.8
135.05531	8.1
137.02322	0.9
137.07104	2.2
141.06615	4.1
143.04526	95.1
144.04877	2.2
145.06139	3.5
146.04501	11.5
153.06606	4.9
153.09225	1.0
155.08235	1.1
164.08229	0.9
166.06195	1.0
166.09805	4.3
167.04515	3.9
167.08151	5.5
169.06013	1.2
170.03302	1.8
171.04050	2.5
171.10184	1.6
173.04477	1.4
176.51903	0.7
179.04550	25.1
181.06136	1.4
184.10831	1.1
185.05554	3.1
189.40944	0.7
191.05502	3.9
192.07680	1.7
193.06250	1.0
197.05634	4.8
197.65135	0.7
209.11731	1.7
210.08798	23.3
228.09891	2.4
229.78185	0.8
236.06717	1.2
254.07805	58.8
255.08131	2.8
256.11450	1.3
271.74200	0.8
272.08878	100.0
273.09155	6.4
291.19812	2.4
304.05923	1.4
325.18396	7.5
469.23755	5.3
518.97620	0.8
580.26935	5.3
598.28015	29.4
599.28058	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32760	0.8
58.02853	8.6
59.01250	6.3
60.20168	0.7
66.03368	1.9
68.16991	0.7
69.33910	1.9
69.34315	6.1
70.02853	0.7
70.31429	0.6
71.01254	2.4
71.42557	0.7
72.00772	1.7
74.02345	17.9
81.04449	1.1
81.44680	0.7
82.02856	2.4
85.02810	1.7
86.02342	7.5
86.05981	1.4
86.98972	2.1
87.00796	0.8
87.05520	4.4
88.03932	0.9
90.00056	2.0
93.03366	0.9
96.95914	1.4
97.03960	2.9
99.05524	15.1
101.02328	1.4
101.07080	2.6
102.05479	2.8
106.43538	0.7
107.98195	0.7
109.02815	1.0
109.03953	2.3
109.07570	1.1
112.03930	3.0
113.02342	0.9
116.01662	0.9
120.01183	1.0
123.04391	0.7
123.05531	1.2
124.03854	1.1
125.03479	2.6
127.05019	2.9
128.03436	43.8
129.03766	1.0
131.04521	0.9
135.04399	1.9
135.05542	4.4
137.02347	1.6
137.07138	1.3
141.06601	3.2
143.04532	62.5
144.01143	1.2
144.04884	1.7
145.06105	2.9
146.04504	6.1
153.06604	5.0
155.08147	0.8
160.00656	16.2
166.09793	3.1
167.04546	5.0
167.08153	1.8
170.03325	1.3
173.04460	1.1
177.03346	5.7
179.04558	13.3
181.06187	1.3
184.10753	0.8
185.05641	2.8
191.05528	2.3
197.05655	2.9
210.08797	12.3
226.44218	0.7
228.09872	0.8
237.47649	0.8
241.65186	0.7
242.07892	0.8
254.07806	18.1
255.08138	1.0
272.08908	30.4
273.09155	1.0
277.05624	0.8
288.06592	10.6
289.06870	0.9
306.07669	100.0
307.08020	5.3
322.99741	0.7
580.27136	0.8
598.28363	5.3
599.29553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33996	2.5
57.45226	2.4
59.01254	70.0
61.82016	2.4
71.01246	6.5
71.57293	3.1
85.02827	5.6
88.62188	2.3
89.02309	3.3
93.02837	2.4
93.03323	14.6
96.95874	3.0
101.02314	4.6
108.01406	2.7
108.02040	15.2
109.02828	8.4
113.02412	3.0
116.77351	2.7
121.02831	13.1
122.03600	3.0
123.04369	2.6
133.02818	2.5
135.04401	4.5
137.02351	22.8
139.03839	2.6
145.01311	2.3
146.03659	9.8
147.04465	2.8
149.02347	54.7
150.03143	47.0
152.01047	19.1
153.01865	12.1
164.04703	16.5
165.05489	43.9
166.05830	3.3
173.04454	2.6
179.03445	3.5
179.07018	15.4
179.68242	2.4
180.04230	2.5
191.05530	6.4
195.06575	43.3
209.04465	3.3
283.09671	3.0
312.10074	21.8
327.12363	100.0
328.12793	9.4
369.69431	2.4
375.14539	25.7
379.47272	2.2
435.09167	12.1
597.14136	18.3
598.14917	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57881	0.5
51.97557	0.5
55.09230	0.6
57.03315	0.6
59.01257	6.7
61.98698	1.0
64.42175	0.5
69.03351	0.6
71.01260	5.7
71.58943	0.6
71.86951	0.5
72.99181	0.7
73.02830	1.8
74.90321	0.5
75.00743	2.1
81.03336	14.6
82.00186	0.6
83.01273	0.8
83.04901	44.3
84.05224	1.1
85.02828	2.4
87.00771	1.2
89.02339	2.0
93.03352	3.0
95.01265	1.1
96.95880	1.6
100.07565	6.3
101.02338	2.7
108.02048	2.8
108.04420	0.7
109.02842	2.1
111.00816	0.8
113.02351	1.4
116.92753	0.7
119.03441	0.7
123.04356	0.9
125.02303	0.8
126.05511	0.6
127.03887	0.8
135.04395	2.0
137.02347	3.2
151.03827	0.7
152.01070	2.5
153.01842	1.7
173.04416	2.8
179.03452	1.2
179.05615	0.8
180.33859	0.6
191.05531	3.6
199.13341	1.6
199.18073	7.8
201.11397	0.7
221.15793	0.6
222.57320	0.6
223.77878	0.6
224.17464	0.8
225.16037	9.1
243.17119	20.7
244.17389	1.5
261.13480	1.2
269.15088	1.5
309.21655	1.3
326.80551	0.6
331.01306	0.7
353.20892	6.5
354.21289	0.7
433.32025	0.8
435.18915	1.2
451.33069	2.1
469.33957	13.4
469.49838	0.6
470.34283	2.5
493.29700	0.9
537.32904	2.8
579.37500	2.3
597.22803	2.5
597.38788	100.0
598.22809	1.6
598.39075	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83586	1.1
54.75952	1.0
59.01252	5.4
70.91506	3.4
71.01254	9.6
73.02802	2.9
75.30383	0.9
81.96861	1.1
83.01236	1.2
85.02821	6.6
87.00745	3.6
89.02308	2.2
93.03336	26.1
95.01249	4.4
96.95867	2.6
98.46463	0.9
99.00751	2.5
101.02319	5.7
104.38194	0.9
107.17870	1.1
108.02053	86.8
109.02849	38.8
110.03181	1.6
111.00706	1.5
113.02309	3.7
119.04906	1.0
121.02827	3.9
122.03606	1.7
123.00757	3.6
123.04381	1.4
125.02287	1.6
135.04411	2.3
136.01517	2.7
137.02348	52.2
138.02649	1.8
147.04437	1.5
149.02344	6.4
150.03133	11.8
151.00272	1.1
151.03976	2.2
152.01056	100.0
153.01854	33.5
154.02148	1.3
161.02385	1.0
163.03879	2.8
164.04619	1.6
165.01805	2.0
165.05490	9.4
166.02599	2.2
167.03397	1.6
177.01749	1.1
179.03427	2.1
179.06996	1.3
181.04958	2.3
191.03334	1.3
191.05490	2.4
195.02844	1.2
195.06540	3.4
204.06412	1.0
209.04320	1.6
262.04651	1.4
271.02377	2.1
273.04080	2.2
277.07315	1.2
281.04141	1.2
281.06683	16.4
282.06873	2.3
315.07150	12.5
337.09183	2.3
391.10333	2.6
435.09293	84.7
436.09656	8.7
437.99854	1.2
461.14429	3.2
477.10214	2.9
533.17944	1.2
597.14490	60.5
598.14911	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21687	1.0
57.03322	1.2
58.00478	1.3
59.00950	2.0
59.01251	40.0
61.98701	9.9
67.01759	1.6
68.76731	1.1
69.03315	1.5
69.40604	11.1
71.00889	1.8
71.01254	20.1
72.01570	2.2
72.99184	3.1
73.02805	2.5
75.00732	2.5
76.97642	1.0
78.95785	1.1
81.03368	1.4
83.01269	2.2
85.02827	10.7
85.23691	1.0
87.00769	1.9
89.02308	13.3
90.12349	1.0
91.01752	1.3
93.03336	33.4
93.26294	1.1
95.01260	4.2
96.95863	2.2
98.20711	1.8
100.87929	1.0
101.02322	12.1
102.02689	1.4
108.02054	69.7
109.02877	18.7
111.00766	1.6
113.02320	8.5
119.03392	6.6
121.02825	4.5
123.00780	2.0
123.04403	2.3
125.02316	1.8
134.05917	1.4
135.00743	3.0
135.04417	4.9
136.01567	1.8
137.02347	41.4
140.23555	1.1
141.05020	1.1
149.02316	1.6
151.03912	1.3
152.01059	100.0
153.01843	22.8
161.04501	1.7
165.01823	1.3
165.05437	1.3
167.03384	1.6
179.03442	3.0
179.05588	2.1
181.04993	2.1
191.05530	7.9
195.02933	2.1
202.93221	1.3
209.04451	2.6
209.11705	1.3
217.05017	1.9
269.13922	4.0
281.06683	3.0
293.04221	1.4
315.07327	1.7
399.14450	10.5
400.14944	2.0
449.20160	4.2
459.11371	3.1
477.12473	4.8
478.12711	1.4
493.30560	1.4
536.27838	5.3
537.28284	5.1
597.14587	98.0
598.14917	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61423	0.4
55.36709	0.4
59.01249	2.1
69.78210	3.0
71.01250	2.5
73.02841	1.2
80.82266	0.5
81.03333	0.9
85.02812	1.1
89.02306	0.6
90.69257	0.4
91.01787	0.8
92.97822	0.4
93.03331	5.5
96.95891	13.6
96.96861	0.5
99.00760	0.7
101.02316	1.7
102.02767	0.4
108.02050	6.3
109.02837	77.8
110.03168	2.4
113.02325	0.9
119.03316	0.5
121.02827	0.6
123.00748	1.0
123.04417	0.5
125.02341	0.7
125.34859	0.4
130.34744	0.4
135.00771	0.7
135.04422	1.0
137.02342	10.3
138.02715	0.5
149.02487	0.7
151.00272	0.5
151.03925	1.6
152.01064	5.2
153.01836	100.0
154.02170	3.9
165.01799	0.5
165.05458	0.5
166.02596	1.8
167.03389	0.8
173.04474	0.7
175.82857	0.5
181.05016	2.1
191.05553	1.4
195.02916	1.9
241.05038	0.6
250.08067	0.4
267.06534	0.7
281.06613	3.7
282.09204	0.5
297.11209	1.1
315.07272	3.4
327.08755	0.9
342.11194	0.9
345.13583	1.0
345.17776	0.6
353.10727	0.7
357.13699	2.4
387.14505	1.3
405.15582	1.1
417.15704	2.6
435.09277	14.8
435.15378	0.8
436.09641	2.0
477.10272	0.6
597.14514	21.8
598.15045	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	57.1
65.00210	18.4
66.32748	5.6
68.99662	5.3
69.49403	40.5
71.01247	26.2
72.99197	6.0
73.02815	15.5
79.61163	4.5
83.01273	18.6
85.02840	18.0
87.00759	7.8
89.02312	9.1
93.03336	20.3
96.95885	14.6
101.02340	15.3
107.01254	8.0
108.02061	9.1
109.02820	25.5
111.00773	19.8
111.04387	4.7
113.02348	11.8
119.03426	7.7
121.02850	20.9
123.00781	16.3
123.04418	5.0
124.01578	9.7
124.98746	6.6
125.02328	12.4
133.02861	10.5
135.04440	12.4
136.98709	9.2
137.02341	41.0
137.99582	7.3
139.00276	39.9
145.02850	11.5
147.04437	9.4
148.01570	9.0
149.02335	15.1
151.00298	31.8
152.01099	10.5
153.01845	18.8
154.99786	36.8
155.03459	7.2
159.04428	8.8
161.02344	9.3
162.03133	6.6
163.03842	8.8
164.98204	17.1
165.01868	21.2
165.99040	7.2
166.99767	16.4
169.01405	7.7
171.04483	8.3
173.04472	10.5
174.03099	9.9
175.03978	15.4
177.01851	34.2
178.99786	37.9
179.03508	6.8
180.97591	8.3
181.01349	32.2
184.00121	11.5
185.00900	12.7
187.03940	9.6
189.01840	9.8
190.99849	7.0
191.03824	7.2
191.05524	34.6
192.00558	14.4
193.01413	15.3
194.99272	22.5
195.02962	5.5
195.96822	6.1
199.03999	6.4
201.01855	9.1
203.03442	18.3
205.01364	11.0
209.00969	5.9
213.01985	9.7
215.03375	11.8
217.01329	11.0
219.02983	9.5
229.01337	11.9
230.02229	7.5
231.02945	28.6
235.02342	5.7
241.01450	5.7
243.02939	18.1
245.00864	6.2
247.02509	6.4
248.03177	7.2
249.04086	6.1
259.02396	35.3
261.04022	11.1
274.01239	6.7
275.02170	13.3
277.03436	6.8
285.00494	12.9
285.03983	5.0
286.00916	6.4
287.02054	42.4
288.02637	5.5
299.01932	9.6
300.02710	6.3
301.03448	12.3
303.01471	33.1
304.02081	6.9
305.03076	13.1
312.99887	17.2
315.01181	8.6
317.03027	5.1
331.00937	100.0
331.04752	8.7
332.01465	8.6
341.83978	6.0
348.00900	6.4
348.04956	6.6
371.06058	6.4
375.05774	11.6
390.16544	12.4
397.07846	17.1
399.09451	14.0
417.06729	19.1
443.08194	7.3
479.08591	7.7
509.09485	13.5
511.06668	6.6
535.07086	8.5
537.32977	7.5
553.07709	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39168	1.6
59.01249	18.3
62.68267	1.9
67.55568	1.7
69.83041	1.9
71.57685	2.4
72.49641	1.9
78.95775	22.1
152.99472	2.7
168.04169	3.2
224.06837	8.4
242.07928	3.2
297.27991	100.0
298.28244	11.2
305.17496	2.6
309.20712	4.2
403.36996	2.2
522.35681	56.4
523.36005	8.8
616.74341	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.7
57.03318	3.8
58.00470	3.0
59.00951	4.1
59.01250	65.9
60.01577	2.2
61.98723	3.3
63.19852	1.8
63.65265	1.9
68.75789	2.2
69.03332	2.7
71.01254	28.5
72.99210	3.4
73.02817	13.3
74.02332	2.9
75.00758	4.7
79.21045	2.2
83.01265	5.7
83.04922	4.5
85.02831	17.6
85.99932	2.5
87.00752	5.7
87.04397	5.6
89.02321	10.0
93.03339	3.6
95.01250	2.8
101.02342	16.5
108.02007	2.3
109.02824	3.2
113.02348	12.2
119.03372	3.2
125.02332	3.2
125.09590	2.6
130.17764	2.2
132.73610	2.0
135.04376	3.4
137.02263	2.8
152.01089	4.1
153.01833	2.3
159.44118	2.1
167.03358	2.5
173.04503	2.5
179.03435	2.7
191.05516	12.8
197.11768	5.1
201.18225	2.2
208.44626	2.0
283.22903	2.3
329.23303	8.9
333.54221	2.1
352.54669	2.1
391.26901	3.0
397.13654	2.3
473.27582	15.1
474.27936	2.7
491.28510	30.7
492.29178	4.8
493.64261	1.9
509.29672	12.0
535.28125	3.4
551.30743	100.0
552.30884	12.1
595.34070	10.8
616.84326	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56732	1.0
57.03315	1.6
59.01252	100.0
60.01582	2.0
61.98706	1.2
69.03326	1.1
71.01252	15.2
72.99182	1.8
73.02823	8.0
75.00742	1.9
83.01252	3.9
85.02827	7.8
87.00731	2.5
89.02316	4.6
93.03332	2.3
95.01241	2.5
96.95897	1.2
99.00753	1.5
99.53230	1.1
101.02325	10.6
108.02058	1.6
109.02836	2.4
111.00764	2.6
113.02332	5.8
119.03345	1.9
120.39458	1.3
124.01505	1.3
125.02386	2.2
135.04376	3.0
137.02359	1.3
139.00343	1.4
152.01019	1.2
157.12181	1.0
159.03032	1.7
159.04465	1.1
161.04457	1.6
163.03943	1.3
173.04492	3.4
176.53432	1.0
179.03479	1.8
187.09698	1.6
191.05534	11.5
197.11726	5.6
273.60846	1.1
287.22281	1.5
353.14050	1.2
377.19666	1.3
403.17795	1.5
421.24225	1.3
431.26764	6.3
436.33435	1.2
447.29492	1.4
449.27271	3.9
491.28427	3.0
509.29669	3.5
533.29523	4.6
535.31708	1.3
551.30713	79.5
552.31171	14.2
589.74799	1.3
595.33350	5.2
612.33313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2892
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.03249	1.2
56.07893	0.9
59.01244	4.0
59.68056	1.0
61.98693	1.6
62.44374	1.1
71.01236	1.6
71.16556	2.7
73.80802	1.1
78.95776	98.2
80.91555	20.9
85.02866	1.2
96.96844	18.0
101.00830	1.8
102.98748	1.9
117.00341	2.2
141.00427	1.2
152.99489	82.9
153.99832	1.4
162.44154	1.0
171.00536	1.6
188.78801	1.1
198.99077	1.1
223.00102	3.5
241.01161	42.0
242.01495	1.2
253.09268	3.6
257.05093	2.7
259.02164	1.0
275.06204	13.2
276.06400	1.6
277.21729	14.3
278.22110	2.4
279.23291	81.8
280.23615	8.9
315.04855	14.0
316.05258	1.5
317.07303	3.0
356.54330	1.2
359.22064	6.6
391.19617	7.5
393.31522	1.4
415.22595	7.0
426.85818	1.3
535.27631	6.0
595.28906	100.0
596.29340	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99313	1.9
55.01748	1.9
58.00470	3.2
59.01252	100.0
59.71118	1.4
60.01591	1.5
66.98746	1.4
69.34296	16.1
71.01254	54.9
72.01592	2.1
72.99180	5.1
73.02820	4.4
75.00735	1.9
79.95615	1.5
83.01259	3.9
85.02821	12.0
87.00773	4.6
89.02315	57.4
91.05432	3.1
93.03323	7.1
95.01275	2.7
95.04935	1.9
96.95898	5.6
99.00734	2.2
101.02322	30.5
103.60144	1.4
108.02070	2.6
109.02837	37.3
110.03239	1.7
111.00818	1.9
113.02328	20.6
116.92724	2.4
117.23322	1.5
119.03386	23.6
121.02804	2.7
131.03389	2.2
135.04414	23.8
137.02296	3.6
143.03407	5.4
151.70715	1.9
152.01050	4.6
153.01840	4.5
161.02354	33.0
161.04478	5.3
162.02943	3.5
164.12363	1.4
165.01915	1.7
177.05496	3.4
179.03514	1.5
179.05518	8.3
191.05551	10.9
221.04221	1.8
241.14406	3.0
253.05106	8.1
259.96564	1.7
271.06110	10.7
280.99557	1.6
301.03442	4.3
303.85001	1.6
343.12027	2.4
433.11392	23.1
434.11887	3.7
475.22504	2.4
482.74905	2.0
503.01920	1.5
535.27582	66.4
536.27936	10.8
571.39911	1.7
595.15796	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18119	0.5
54.55103	0.6
57.03313	1.2
59.01252	13.6
61.98719	2.9
63.99977	0.5
67.01762	1.3
71.01246	6.2
71.58028	0.6
71.58440	0.9
72.99187	1.1
73.02806	2.3
75.00729	1.0
81.03309	0.8
83.04897	1.0
85.02818	13.7
87.00750	3.8
89.02319	1.5
91.01848	0.5
91.28517	0.6
93.03335	7.6
93.37733	0.5
95.01237	0.7
96.95879	1.0
98.29938	0.6
99.00836	0.8
99.04382	1.1
100.30026	0.6
101.02322	3.3
101.11614	0.7
102.23702	0.5
108.02042	1.4
108.64968	0.5
109.02850	4.4
111.04391	1.5
113.02326	1.8
119.04912	0.7
121.02779	0.7
123.04383	1.3
125.02357	0.7
127.03882	2.9
133.34268	0.6
134.03641	0.7
135.04398	2.0
137.02328	2.7
139.03928	0.8
143.03432	0.6
144.74681	0.6
151.03957	1.0
152.01065	1.9
153.01872	1.5
159.04381	1.4
161.02347	0.9
167.93329	0.5
171.02931	1.1
172.05231	1.2
173.04469	4.9
173.05818	1.1
174.03181	0.7
177.01901	0.8
179.03397	0.7
183.04370	0.6
187.03966	2.8
191.05544	100.0
192.05951	3.8
193.08601	1.3
197.11765	1.6
199.03984	2.9
200.04701	2.1
201.05533	0.9
213.05705	0.6
227.03439	2.4
227.07130	1.0
228.04166	1.6
232.03712	0.9
242.05916	1.0
283.13376	5.7
294.22479	0.6
299.13071	1.9
301.14508	1.9
309.14984	2.2
311.12741	3.8
317.13831	0.9
327.16016	5.5
328.16501	0.7
329.13959	4.0
330.14371	0.7
345.17041	3.0
353.13889	8.3
354.14420	1.0
359.18729	5.4
360.18900	0.6
371.14978	13.5
372.15427	1.6
377.19699	3.7
389.16214	0.9
403.17621	32.6
404.17911	4.4
413.10779	0.7
438.56726	0.6
551.30304	2.9
563.21088	2.9
564.21576	0.8
595.24249	2.1
595.33582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53916	1.6
53.33901	1.7
55.81421	1.7
56.09440	2.3
57.03320	2.8
59.01253	100.0
61.98697	2.0
70.07318	10.2
71.01268	12.4
72.99162	2.3
73.02821	4.9
83.01265	2.8
85.02848	9.2
87.00767	3.0
88.98688	2.9
89.02312	4.1
93.03310	4.3
98.20521	2.8
101.02313	8.8
105.95198	2.4
108.02067	2.2
109.02822	3.7
113.02322	8.0
121.02869	2.4
123.04439	2.9
134.03668	10.7
134.67624	2.0
135.04398	7.3
137.02330	3.8
147.04417	2.5
149.05997	29.6
163.03922	29.0
173.04465	2.4
178.14833	1.9
191.05531	11.5
218.24811	1.9
235.09679	18.9
255.02817	2.4
299.25864	2.4
345.29956	6.9
371.14944	64.0
372.15186	7.8
377.36536	2.1
489.34442	22.4
507.35187	5.6
523.37750	2.1
549.32733	16.6
550.33362	3.9
561.29443	2.1
593.29083	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.2
59.01251	100.0
62.54757	2.1
65.66293	2.1
69.31113	6.3
69.31535	17.7
71.01258	16.2
71.80655	2.1
73.02809	9.0
78.95770	2.8
83.01263	2.8
85.02813	12.5
89.02336	6.0
93.03337	3.9
101.02328	10.3
109.02841	2.8
111.04411	2.6
113.02339	9.9
135.04425	7.8
137.02350	4.8
155.71053	2.4
161.04489	2.6
163.03838	3.1
173.04420	3.6
191.05533	8.5
247.03262	2.6
250.00560	2.2
345.30136	3.9
371.14996	5.6
376.28149	2.4
489.34305	43.1
490.34512	6.8
507.35355	19.2
549.36420	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08625	3.3
59.01253	100.0
60.01603	3.4
60.43797	3.3
61.98698	3.3
71.01254	56.2
71.58653	5.8
72.01608	3.9
73.02821	33.7
78.95794	5.3
81.03308	3.7
83.01257	13.8
85.02831	14.9
87.00775	7.1
89.02312	9.8
91.05384	3.9
93.03350	12.8
95.01273	57.6
97.02821	6.9
99.00745	4.7
101.02316	32.0
109.02857	9.4
111.04470	5.1
113.02327	10.1
117.26077	3.9
121.02827	7.1
123.00793	4.3
123.04426	8.1
125.02361	8.7
135.04321	7.4
135.80159	3.6
137.02316	5.4
139.03912	5.6
140.01039	8.7
140.98227	3.2
148.44821	5.0
149.02361	10.9
161.02351	3.9
165.14177	3.4
166.02592	4.6
167.03387	22.8
172.53488	3.8
173.04503	14.9
177.01918	5.1
179.03363	4.4
191.05522	34.8
311.09158	8.6
353.10632	4.2
491.15051	4.6
533.16614	15.1
535.31445	4.5
551.17743	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60497	1.1
57.03315	1.5
58.02854	9.0
59.01252	23.6
61.98687	3.0
68.47948	1.1
70.88223	2.7
71.01254	8.3
71.02368	7.0
72.00779	2.2
72.99173	1.1
73.02821	1.6
74.02345	2.2
74.67696	0.9
75.00752	2.0
75.12103	1.0
76.26324	1.2
78.95782	3.6
82.06498	2.2
83.01234	1.6
85.02829	4.3
87.00765	2.6
89.02322	2.9
93.03332	6.5
96.95905	2.2
98.01126	1.0
101.02309	2.6
107.04903	1.4
108.02044	1.8
109.02827	3.3
111.01890	7.7
113.02311	3.3
116.04951	1.4
119.03407	2.5
119.04926	10.3
121.02791	2.4
123.04424	1.5
125.02355	1.0
126.14121	1.0
127.08660	5.1
128.07063	1.1
129.10240	10.5
133.05258	1.9
134.06035	5.4
134.06914	0.9
135.04391	5.7
137.02315	3.3
138.07867	1.8
142.48311	1.0
142.67986	1.0
146.06059	7.2
149.05978	2.6
151.03940	1.5
153.06593	2.7
154.08618	3.1
155.08179	3.6
160.07639	1.3
161.02354	1.5
163.03880	6.6
163.08635	1.7
164.07028	2.2
171.10054	1.1
171.11296	7.7
173.04469	3.6
173.05861	1.3
179.03381	1.2
180.06581	22.8
189.06537	2.6
191.05557	12.7
191.08156	5.7
193.08601	1.6
197.16461	6.0
213.13846	3.4
221.09386	1.9
222.15916	1.0
240.17137	1.4
241.14241	1.5
255.02895	3.3
257.12936	12.4
264.10403	1.6
264.17178	3.4
266.11890	12.7
282.18237	1.5
283.14423	2.0
284.03250	3.0
285.04105	1.9
309.19772	2.5
327.13470	15.3
329.13956	2.0
368.23572	4.0
378.14572	2.6
394.21033	1.3
412.22397	2.0
438.20380	2.4
439.79172	1.2
465.19022	1.8
549.30963	2.4
593.14386	3.2
593.29773	100.0
594.30103	22.8
610.98560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	3.3
59.01251	100.0
60.18138	2.8
69.53456	18.6
69.53869	4.8
71.01254	43.9
72.99184	3.5
78.53075	2.7
85.02840	6.6
87.00731	3.6
89.02316	65.8
94.75977	2.6
101.02335	19.5
113.02305	18.6
119.03397	18.9
131.03403	2.9
143.03406	3.8
179.05568	16.5
192.94397	2.5
230.63304	2.5
428.68610	3.3
585.66986	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41240	3.7
59.01256	100.0
63.12752	3.1
69.44326	3.7
71.01255	47.1
72.99194	3.3
73.02814	4.3
85.02823	8.6
86.51917	3.1
87.00768	3.2
89.02316	69.8
89.78621	3.1
95.18884	3.1
101.02335	28.8
102.53950	3.1
103.51226	3.5
112.83772	3.7
113.02330	24.2
119.03400	40.1
143.03406	7.9
151.03658	3.2
161.04486	7.8
179.05530	24.6
191.05518	4.7
199.02246	3.3
293.07483	3.3
459.38278	3.2
507.02100	3.6
533.26056	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03422	1.4
57.03335	2.3
58.00470	1.5
59.01250	100.0
71.01250	15.5
71.58227	2.1
72.99196	2.1
73.02814	9.9
83.01246	4.6
85.02838	9.7
87.00738	2.8
88.43934	1.4
89.02322	6.2
93.03344	5.3
95.01273	3.3
96.95879	1.4
99.00789	2.3
99.05388	1.2
101.02320	13.3
101.02935	2.0
107.29036	1.4
108.02083	2.5
109.02827	4.2
110.20052	1.3
113.02343	6.4
119.03387	2.1
119.11456	1.3
121.02819	1.7
123.14487	1.2
125.43253	1.3
129.80707	1.2
131.23747	1.5
133.02855	1.6
135.04488	3.0
136.01559	9.0
137.02383	10.0
139.07582	1.6
145.32628	1.6
151.00282	4.5
151.03873	11.2
152.00645	1.8
152.04300	5.0
153.01865	2.3
153.04376	1.5
161.04456	3.6
166.02585	6.9
167.03250	3.3
168.00595	1.4
171.10147	1.5
173.04478	2.6
175.03908	4.3
177.01859	2.4
177.05556	1.5
179.07021	1.8
180.13615	1.2
181.05020	10.9
182.05322	3.4
187.09615	1.6
190.06250	1.7
191.05539	5.2
195.43881	2.0
196.60600	1.3
205.05043	3.9
215.12859	3.0
220.07256	1.3
227.03490	3.0
255.02994	3.9
281.24948	1.6
284.03253	4.8
285.03979	5.2
293.45078	1.5
312.06229	1.8
327.08780	2.7
341.10382	3.6
342.11026	3.3
357.09708	1.9
357.13702	1.8
358.10217	2.3
359.10193	2.9
387.14478	17.1
388.14792	10.1
389.15189	11.7
389.25507	11.8
393.22894	1.6
429.24783	5.3
431.13367	14.1
432.13528	1.9
472.06848	1.5
507.27704	2.0
531.28241	4.8
549.29181	67.3
550.29633	9.2
593.15454	6.7
593.31946	24.3
594.32025	4.2
602.91254	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.3
57.03321	4.7
58.00457	2.5
59.01252	91.5
60.99173	5.9
61.98708	2.3
69.03327	2.7
71.01254	34.5
71.04889	2.7
72.99189	7.1
73.02824	25.5
74.02342	3.9
75.00758	5.2
83.01266	6.0
85.02831	19.4
86.22693	1.6
87.00733	8.7
88.98680	41.2
89.02322	24.1
91.00241	4.2
93.03352	5.9
94.47330	1.7
95.01263	2.8
96.95899	8.0
99.00757	6.0
99.04398	6.7
100.30978	2.2
101.02332	27.0
102.38151	1.8
108.02081	3.3
109.02843	7.7
113.02316	20.3
113.09600	2.1
115.86237	1.9
118.97955	2.2
119.03396	7.1
123.00813	2.1
123.65348	2.1
125.02347	7.2
125.09624	2.2
134.03500	1.9
135.04391	4.8
137.02370	4.8
137.09587	2.0
137.11151	2.0
143.03413	3.8
147.04369	2.5
149.04491	1.8
149.99524	2.5
151.00284	5.3
151.03879	2.9
152.01057	4.8
153.01823	3.1
161.02367	3.1
161.04466	5.5
163.03928	4.1
164.04811	1.6
166.02602	8.0
167.03400	4.0
168.00575	4.2
169.12239	3.6
173.04416	5.7
175.03935	4.4
179.03325	2.1
179.05571	3.2
181.04976	10.8
184.52472	1.7
190.02603	2.4
190.06389	3.8
191.05518	15.8
199.09740	2.2
205.04948	3.2
207.13821	3.3
215.12894	2.3
217.10834	2.1
221.06427	2.0
227.03555	5.2
227.07019	4.3
229.04974	2.9
229.82742	1.9
249.11536	2.0
251.12903	12.9
255.02994	13.7
271.02530	5.4
284.03262	11.3
285.03958	14.6
286.04178	2.1
300.02869	10.9
301.03311	2.6
321.17279	2.7
327.08743	2.3
327.21674	2.7
341.10397	3.2
342.11093	2.5
357.09695	2.7
357.13614	2.4
359.15070	3.6
371.14941	2.4
371.24573	2.6
372.12100	2.1
387.14410	10.9
389.25620	5.4
403.14005	2.2
417.15637	2.1
431.13440	14.8
431.19162	7.6
441.25507	2.0
447.25787	2.8
453.25046	3.3
471.26248	9.3
489.26846	15.0
491.15247	2.0
507.28131	6.9
533.26099	8.7
549.29144	100.0
550.29150	13.6
551.81451	1.9
593.15131	17.7
593.31769	33.6
594.15613	2.8
594.31909	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.3
57.03321	4.7
58.00457	2.5
59.01252	91.5
60.99173	5.9
61.98708	2.3
69.03327	2.7
71.01254	34.5
71.04889	2.7
72.99189	7.1
73.02824	25.5
74.02342	3.9
75.00758	5.2
83.01266	6.0
85.02831	19.4
86.22693	1.6
87.00733	8.7
88.98680	41.2
89.02322	24.1
91.00241	4.2
93.03352	5.9
94.47330	1.7
95.01263	2.8
96.95899	8.0
99.00757	6.0
99.04398	6.7
100.30978	2.2
101.02332	27.0
102.38151	1.8
108.02081	3.3
109.02843	7.7
113.02316	20.3
113.09600	2.1
115.86237	1.9
118.97955	2.2
119.03396	7.1
123.00813	2.1
123.65348	2.1
125.02347	7.2
125.09624	2.2
134.03500	1.9
135.04391	4.8
137.02370	4.8
137.09587	2.0
137.11151	2.0
143.03413	3.8
147.04369	2.5
149.04491	1.8
149.99524	2.5
151.00284	5.3
151.03879	2.9
152.01057	4.8
153.01823	3.1
161.02367	3.1
161.04466	5.5
163.03928	4.1
164.04811	1.6
166.02602	8.0
167.03400	4.0
168.00575	4.2
169.12239	3.6
173.04416	5.7
175.03935	4.4
179.03325	2.1
179.05571	3.2
181.04976	10.8
184.52472	1.7
190.02603	2.4
190.06389	3.8
191.05518	15.8
199.09740	2.2
205.04948	3.2
207.13821	3.3
215.12894	2.3
217.10834	2.1
221.06427	2.0
227.03555	5.2
227.07019	4.3
229.04974	2.9
229.82742	1.9
249.11536	2.0
251.12903	12.9
255.02994	13.7
271.02530	5.4
284.03262	11.3
285.03958	14.6
286.04178	2.1
300.02869	10.9
301.03311	2.6
321.17279	2.7
327.08743	2.3
327.21674	2.7
341.10397	3.2
342.11093	2.5
357.09695	2.7
357.13614	2.4
359.15070	3.6
371.14941	2.4
371.24573	2.6
372.12100	2.1
387.14410	10.9
389.25620	5.4
403.14005	2.2
417.15637	2.1
431.13440	14.8
431.19162	7.6
441.25507	2.0
447.25787	2.8
453.25046	3.3
471.26248	9.3
489.26846	15.0
491.15247	2.0
507.28131	6.9
533.26099	8.7
549.29144	100.0
550.29150	13.6
551.81451	1.9
593.15131	17.7
593.31769	33.6
594.15613	2.8
594.31909	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32419	0.6
59.01259	1.0
65.60555	0.6
78.95775	70.5
85.29518	0.6
96.96838	13.3
98.20541	1.4
117.69559	0.6
150.97940	1.2
152.99487	100.0
153.99835	1.8
171.00548	3.0
223.00070	11.0
241.01158	26.9
259.02277	2.1
271.15424	0.7
275.20007	0.7
277.21725	45.8
278.22009	3.7
315.04846	19.0
316.05298	0.7
333.05835	1.1
424.32614	0.6
456.01450	0.6
464.18472	0.7
499.26569	0.6
593.27325	76.8
594.27667	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13753	0.8
56.57074	0.7
59.01250	1.0
59.82943	0.7
62.96285	0.8
64.39820	0.9
69.34905	8.3
70.50700	0.8
77.79600	0.8
78.84122	0.8
78.95776	82.8
96.96832	16.0
98.20618	1.6
152.99492	69.2
171.00584	0.9
196.40497	0.9
222.99998	2.2
241.01154	37.5
242.01663	1.4
243.29131	0.8
247.99063	1.0
277.21719	58.9
278.22046	3.5
315.04932	11.0
360.47598	0.9
413.20908	8.8
593.27295	100.0
594.27826	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	1.6
58.00463	1.4
59.01250	37.6
61.98693	1.1
69.44834	1.1
69.66799	8.2
71.01247	23.3
71.35220	0.9
72.99166	3.1
73.02799	4.1
81.03300	1.0
83.01296	1.5
85.02821	6.6
85.70474	1.0
86.51860	1.1
87.00761	2.1
89.02311	17.8
90.81671	1.2
90.98455	2.1
92.31517	1.0
93.03315	1.7
95.01270	1.6
96.95877	3.4
98.19836	2.1
99.04395	20.3
101.02328	12.6
107.01235	1.0
109.02891	1.8
113.02327	11.2
119.03399	5.5
121.02847	3.5
121.06429	2.0
126.38667	1.1
135.04420	1.4
145.02815	1.7
147.04468	1.7
151.00241	1.4
153.01820	3.0
159.04349	1.7
161.04445	1.6
163.03864	4.5
165.01778	1.7
173.02330	2.0
174.03128	3.0
175.03923	14.9
176.04584	4.1
177.05508	1.3
179.03285	1.9
179.05560	2.4
180.04167	11.1
181.04764	1.1
188.04623	3.0
189.05539	7.6
189.12758	7.5
190.06271	21.1
191.05501	2.7
191.07010	13.5
193.04980	11.0
194.05766	5.5
203.07109	1.7
205.08592	18.8
207.06522	6.6
207.13846	24.2
208.07353	15.0
222.08884	2.5
223.09630	1.2
227.03432	11.3
228.03893	1.2
229.04938	4.2
231.13878	2.6
239.03345	1.0
251.12849	53.4
252.13232	4.4
255.02977	21.0
256.03513	3.5
257.04407	2.3
275.12888	2.3
284.00070	1.4
284.03250	24.4
285.04016	32.2
286.04343	3.5
293.13959	2.0
339.83301	1.1
344.12665	3.3
359.14981	100.0
360.15390	13.5
389.16037	1.3
389.25439	2.1
413.18051	7.9
431.19165	51.0
432.19312	5.4
533.22528	1.5
533.29736	6.6
551.30670	1.8
593.15009	25.4
593.23254	1.7
593.31494	5.1
594.15344	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01253	5.4
59.08724	0.5
61.90967	0.5
61.98697	1.9
63.96111	1.1
65.00200	1.4
69.03342	0.8
71.01246	8.0
71.58244	0.9
73.02822	2.2
74.60526	0.5
78.95734	0.7
78.98472	5.1
79.95610	33.1
80.96392	62.3
81.03318	1.2
83.01264	1.5
85.02837	3.3
87.00770	2.5
89.02375	0.6
93.03349	3.1
94.97968	15.2
96.23326	0.6
96.95898	2.3
97.02836	1.6
101.02338	2.8
106.97976	2.4
109.02847	2.0
117.03426	0.6
121.02834	5.5
122.97478	4.3
124.01529	0.8
125.02288	3.2
127.03933	1.1
127.79626	0.7
134.97473	3.5
135.04425	1.9
136.99089	2.1
137.02364	1.2
139.03947	0.7
148.99026	5.9
149.02374	1.2
149.05988	0.6
151.00252	3.1
152.01100	0.6
152.98537	6.0
153.01927	0.6
154.44814	0.6
161.02348	1.1
163.00293	0.9
164.98538	10.1
171.10236	0.7
173.04512	1.0
175.00325	0.7
175.03925	0.7
176.01009	0.7
177.01830	1.2
178.99844	2.4
182.99641	1.9
191.05559	2.3
201.05473	0.7
202.99847	2.2
206.99673	3.5
219.02905	0.6
223.13429	0.8
225.00706	18.7
226.01027	1.2
227.03514	1.7
241.00198	0.9
241.05275	0.6
243.01910	2.0
255.03033	2.6
256.03647	0.7
259.21515	0.6
269.04581	0.9
271.02521	1.1
283.02640	0.9
284.03275	4.6
285.04083	4.2
293.21176	0.8
299.04425	3.7
300.02722	3.3
353.03357	0.6
355.22711	0.7
371.06625	1.2
381.21100	0.7
385.08127	0.8
399.09665	1.7
399.21860	1.4
413.11160	1.0
425.19635	1.5
441.14767	1.2
441.21194	0.7
443.20605	4.7
444.21036	0.9
452.72464	0.6
455.16101	2.0
471.20273	2.7
481.17786	1.0
495.19254	2.0
523.18646	0.9
524.19342	0.7
593.26184	100.0
594.26422	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00751	0.7
57.03317	0.7
59.01253	16.2
61.98677	0.6
63.46231	0.5
71.01258	8.1
72.99172	1.8
73.02827	2.7
76.83486	0.5
83.01256	1.1
85.02818	3.1
87.00735	0.6
88.98684	0.8
89.02325	6.2
90.98460	1.8
91.00252	0.6
93.03344	1.5
96.95949	2.8
99.00802	0.6
99.04398	5.0
101.02314	3.5
105.34197	0.8
109.02846	0.9
111.04414	0.7
113.02367	2.8
114.10375	0.6
119.03401	1.2
121.02833	4.6
125.02314	0.8
135.04437	0.8
136.05217	0.9
137.02319	2.1
139.00302	1.0
145.02867	2.2
147.04448	3.0
149.04547	0.8
151.00278	0.7
153.05475	0.8
159.04401	0.9
161.04449	1.1
161.05931	0.8
162.03194	0.9
163.03918	7.8
165.01875	1.8
167.03401	0.9
173.02345	0.8
173.06046	0.6
174.03130	3.6
175.03935	21.4
176.04688	4.3
177.05455	2.0
179.03342	1.0
180.04211	8.3
188.04756	3.3
189.05508	7.0
189.12750	1.5
190.06290	24.9
191.05536	1.0
191.07063	17.5
192.07431	1.1
193.04991	10.4
194.05742	5.4
195.06187	0.7
203.07103	2.6
205.08662	18.3
206.08965	1.9
207.06557	6.0
207.13864	4.8
208.07362	18.2
209.07765	1.0
222.08971	1.6
223.09717	1.2
227.03487	2.3
231.13918	0.8
251.12872	14.7
252.13136	1.4
255.03015	5.2
275.12997	1.3
284.03311	6.1
285.04016	8.9
329.10333	0.9
344.12482	3.5
359.15015	100.0
360.15353	11.1
374.64505	0.6
389.16141	1.5
413.18146	1.8
431.19174	11.3
432.19614	1.2
468.97006	0.6
508.41156	0.8
533.22327	0.7
533.29712	2.6
551.31030	0.9
576.63367	0.7
593.15240	5.9
593.23608	1.1
593.31812	2.3
594.15454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
58.83853	0.3
59.01260	1.5
63.02266	0.4
65.00207	0.7
69.31263	1.6
69.31677	0.8
83.01270	0.8
89.02328	0.6
91.01781	0.5
93.03316	1.3
99.04416	0.4
101.02341	0.3
102.10349	0.3
107.01257	2.2
108.02084	0.3
109.02898	0.3
113.02351	0.5
117.03353	0.4
121.02854	0.3
131.04930	0.3
132.02083	1.2
135.00790	1.2
137.02313	0.5
143.04912	1.0
145.02832	0.4
149.01352	0.3
151.00282	2.3
153.01842	0.8
157.06526	0.6
159.04430	1.1
161.02419	0.3
163.00267	2.7
165.01845	0.4
167.04924	0.3
169.01334	0.4
169.06546	0.6
171.04442	0.6
174.03032	0.3
175.03877	0.4
178.99870	0.4
183.04417	0.8
185.02333	0.3
185.06027	2.1
187.03957	3.2
188.04282	0.3
189.05502	1.0
190.99788	0.3
195.04465	0.7
197.05988	1.0
199.03957	1.1
200.04494	0.3
200.10468	0.3
201.05481	0.4
207.02959	0.2
211.04004	2.0
212.04623	0.7
213.05476	1.9
214.02634	0.3
215.03514	0.3
223.04036	0.5
227.03447	31.6
228.03862	2.2
229.05013	11.7
230.05367	0.9
239.03371	1.7
240.04152	0.9
241.05078	1.8
243.02881	0.6
251.12885	0.6
255.02966	56.0
256.03528	7.3
257.04517	8.4
258.04938	0.4
267.02966	0.9
276.67322	0.3
283.02573	0.7
284.03253	70.9
285.04007	100.0
286.04376	7.8
327.05096	1.2
431.19052	0.7
593.15082	68.0
594.15375	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.5
61.98703	100.0
65.56115	0.3
71.01266	0.6
78.95780	0.4
78.98471	0.3
80.96397	1.8
85.02839	0.3
87.00748	0.4
89.63569	0.3
93.03320	0.3
94.97952	0.3
102.29273	0.3
109.02821	0.4
121.02836	1.3
135.04472	0.4
137.02460	0.3
151.00291	0.4
159.15518	0.3
161.21216	0.3
164.98595	0.4
191.05583	0.5
225.00662	0.5
255.03110	0.4
299.04532	0.3
348.36011	0.3
377.62885	0.3
395.28528	0.5
593.25946	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.3
69.44818	1.4
74.00973	0.2
76.03040	0.2
77.03862	0.3
87.45708	0.1
91.01762	0.3
93.03353	0.3
95.01275	0.2
102.00882	0.2
117.92756	0.2
120.02071	0.6
121.02842	100.0
122.03178	3.4
136.01544	0.5
151.00327	0.2
165.01849	4.3
180.05704	0.4
181.04987	0.3
181.06482	2.1
194.71262	0.2
197.06001	1.8
198.06384	0.2
207.04482	0.7
207.08047	0.2
209.04492	55.9
210.04828	2.8
223.04015	0.3
225.05539	1.7
251.07169	0.2
257.09665	0.6
297.31976	0.2
300.02829	0.3
301.08768	0.3
313.07184	1.5
314.07623	0.2
329.08118	0.2
357.06207	0.9
373.10654	0.3
383.07761	1.1
384.07867	0.2
401.08722	0.3
417.09677	1.0
421.13187	0.2
432.19223	0.2
490.25787	0.2
505.11478	2.7
506.11838	0.4
549.10352	6.2
550.10785	1.1
575.23090	0.3
593.13031	7.7
593.23395	0.6
594.13208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10363	0.2
59.01260	2.5
60.90224	0.2
61.01659	0.3
63.02278	0.3
65.00193	0.4
66.41198	0.2
69.46758	1.1
69.47160	0.5
70.11154	0.2
72.99187	0.2
73.02839	0.3
75.00753	0.5
79.28663	0.2
83.01254	0.4
85.02808	0.4
85.38809	0.2
89.02311	1.5
90.02642	0.2
93.03336	0.8
95.01261	0.3
98.19801	0.4
101.02338	1.0
107.01234	1.2
109.02852	0.3
113.02324	0.5
119.03399	0.6
125.02359	0.3
132.02094	1.0
135.00760	1.0
135.04401	0.3
151.00272	2.1
152.01039	0.5
158.03694	0.3
159.04428	0.4
161.13284	0.4
163.00293	0.9
164.01079	0.6
169.01366	0.4
171.04488	0.3
178.99771	1.8
183.04419	0.8
183.24359	0.2
185.02295	0.4
185.05919	0.4
187.03944	0.5
187.11133	0.4
188.11610	0.3
191.05489	0.5
199.03893	0.5
200.04636	0.4
203.56165	0.2
205.12274	0.6
206.12521	0.5
211.03926	1.5
212.04434	0.2
213.05437	0.3
227.03453	35.2
227.07106	1.5
228.03783	2.9
229.05028	1.6
239.03429	0.4
240.03879	0.3
241.04741	0.3
249.11267	1.4
250.11652	1.0
251.11813	0.7
255.02968	63.9
256.03448	8.3
257.04428	1.4
283.02399	1.3
284.03256	100.0
285.03836	18.6
286.04343	1.1
309.04010	0.5
327.05029	0.6
413.16934	0.3
429.08221	2.3
429.17307	0.4
430.18030	0.8
431.18246	1.5
447.09561	0.5
473.10767	0.2
593.15094	61.3
594.15405	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64335	2.0
56.02526	1.9
57.03326	2.8
59.01252	100.0
65.75059	1.9
71.01252	27.6
71.58960	3.2
71.59587	2.4
73.02819	17.6
78.95795	4.4
81.03369	1.9
83.01254	5.3
83.04877	1.9
85.02815	15.4
87.00750	7.3
89.02325	9.8
93.03334	12.1
95.01275	2.5
96.95923	3.1
99.00767	2.2
99.04400	4.0
101.02342	14.0
107.04907	3.5
108.02036	4.5
109.02829	13.0
111.04373	2.5
113.02348	12.3
116.22878	2.1
121.02828	9.0
123.04401	5.8
125.02351	5.0
133.02797	3.0
135.04414	21.9
137.02296	6.4
138.28618	2.0
147.04425	2.3
148.05182	2.5
149.02377	5.2
151.03873	3.0
152.01006	2.6
152.36951	2.1
152.99437	2.9
153.01772	2.3
161.02338	5.4
170.05598	2.4
171.10158	2.2
173.04498	12.4
173.05815	2.9
175.03899	3.2
175.07559	8.0
177.01872	5.7
179.03424	5.2
191.05525	21.5
210.07642	2.9
225.05586	2.4
227.07112	4.1
271.06177	2.4
290.21121	2.4
309.20712	2.1
327.21573	2.1
337.10779	7.8
338.85934	2.2
369.13107	3.3
370.06937	2.0
374.76440	2.1
381.09631	6.3
408.07193	2.1
420.17908	2.1
471.26056	2.6
487.32846	13.8
488.33197	2.7
499.98499	2.1
505.33682	7.1
547.30908	5.3
548.31781	3.0
555.33417	2.5
591.19885	3.5
591.34552	10.3
608.84534	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55301	0.3
59.01249	0.6
61.98703	100.0
68.89379	0.3
71.01266	0.4
71.58319	0.4
80.96397	0.6
85.02850	0.3
94.97956	0.4
96.95912	0.4
119.45659	0.3
121.02858	0.3
137.02350	0.7
191.05501	0.4
254.65494	0.4
284.03217	0.4
285.04056	0.5
368.03110	0.3
376.15823	0.3
395.27856	0.4
430.23120	0.7
592.33575	0.4
593.25800	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98697	0.7
62.55864	0.6
70.03567	1.6
70.03963	1.4
74.42947	0.9
90.39324	0.6
171.60760	0.7
196.48904	0.6
246.74760	0.6
445.19864	1.4
455.22266	0.9
456.23441	0.9
459.21796	1.3
471.25668	2.8
472.22437	1.5
473.23825	1.3
482.21155	0.9
485.19937	1.9
486.20526	0.7
487.24979	2.7
489.22687	1.0
497.23532	3.4
499.21240	3.6
500.22119	12.7
501.22693	1.6
503.21088	0.7
515.24518	100.0
516.24884	20.1
559.23608	3.3
560.23450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.1
57.03327	2.5
58.00483	1.9
59.01254	100.0
59.76508	0.5
60.01598	0.9
69.03332	1.4
70.25835	0.5
70.33168	1.3
70.33559	1.0
71.01257	68.8
72.01582	1.0
72.99184	3.5
73.02821	19.2
74.98994	0.6
75.00746	1.0
83.01259	8.3
84.02047	0.6
85.02832	20.2
87.00749	4.9
89.02320	41.5
93.03302	0.8
95.01270	7.2
96.95885	2.2
97.02827	1.5
99.00748	3.3
99.04386	0.6
101.02328	36.7
108.02055	2.2
109.02827	2.0
111.00751	1.0
113.02333	45.9
114.02692	1.2
116.92765	0.6
117.16483	0.5
118.97977	3.9
119.02580	1.0
119.03397	17.8
120.03794	0.6
124.01491	1.5
125.02367	2.8
131.03442	3.0
135.00725	0.6
135.04311	0.6
137.09601	1.7
139.00226	0.8
142.23560	0.6
143.03401	5.8
145.30533	0.6
149.04407	2.1
152.01088	2.5
153.01793	2.4
155.03392	0.9
156.03844	0.5
159.02841	1.1
160.07736	0.6
161.04471	15.6
162.04770	0.7
175.07545	1.3
179.04118	0.6
179.05554	8.8
189.12782	1.1
191.05624	2.9
205.08464	1.0
206.08102	0.7
207.13762	0.8
225.14810	1.5
231.34549	0.6
255.02879	1.5
283.02618	2.7
285.03885	1.1
292.37225	0.5
369.19138	5.0
386.06366	0.9
387.20322	2.8
464.84476	0.5
471.19327	0.6
531.24469	29.4
532.25153	4.4
549.25513	21.8
550.25818	3.1
591.19385	3.1
591.26270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30181	1.5
57.03325	1.9
58.00465	2.3
59.01254	69.1
63.25408	1.7
69.39333	1.4
69.39615	17.5
71.01257	33.6
72.99195	3.2
83.01275	2.2
85.02836	7.1
87.00776	3.6
88.98722	3.3
89.02321	40.3
98.20516	2.6
99.04411	6.1
101.02326	20.5
111.04433	2.0
113.02312	19.6
119.03394	19.6
131.03403	1.9
135.11804	1.8
143.03387	3.8
161.04436	3.7
161.09666	2.5
161.13280	14.8
173.04472	2.1
179.05519	10.9
187.11201	26.0
191.05667	1.7
201.13010	1.6
205.10330	2.6
205.12274	45.6
206.14571	1.7
229.12234	8.5
231.10281	3.6
247.13445	2.5
249.11322	100.0
250.11662	7.5
273.92636	1.7
275.57690	1.7
291.12363	7.8
351.14761	2.3
385.18707	4.9
411.16617	20.3
429.17673	88.0
430.18137	9.1
471.19125	2.5
591.22821	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16241	1.1
56.49501	1.2
57.03314	2.2
57.67361	1.2
58.00468	4.0
58.93638	1.1
59.01253	100.0
65.04169	1.1
69.68922	6.9
70.23061	1.1
71.01254	61.2
72.99188	4.1
73.02837	2.9
77.24140	1.2
78.91546	1.2
81.06986	2.8
83.01280	3.0
85.02821	13.2
87.00756	3.6
89.02318	58.5
92.51288	1.2
92.60508	1.1
94.44274	1.3
95.01285	4.5
95.04929	2.3
98.19891	2.5
99.04391	7.8
101.02325	29.7
102.32928	1.5
107.04950	2.1
111.04425	2.7
111.74862	1.2
113.02321	25.9
113.03056	1.7
119.03397	24.9
131.03430	2.2
135.04390	1.5
143.03426	6.3
143.08542	1.4
149.04500	2.7
157.06581	1.6
157.25328	1.3
161.04514	6.0
161.13277	25.1
162.13568	1.6
169.10222	1.9
171.08179	1.6
179.05527	16.1
187.11217	41.2
188.11591	2.4
203.14336	1.7
205.12297	51.4
206.12682	5.5
229.12297	8.7
231.10291	5.2
247.13330	3.8
249.11305	79.1
250.11642	5.7
259.13373	1.7
291.12405	4.7
311.68289	1.4
351.14584	2.1
385.18741	5.4
411.16626	17.3
429.11841	2.9
429.17667	57.1
430.17865	6.8
531.24164	3.3
549.25525	2.8
566.01459	1.6
591.22766	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10958	1.0
55.01760	1.5
57.03329	1.5
58.00473	4.8
59.01253	95.7
69.65595	1.3
71.01254	53.4
72.99186	5.0
73.02824	3.0
74.51308	1.1
83.01263	2.2
84.52242	1.2
85.02821	10.4
87.00755	3.1
88.98673	1.8
89.02316	58.4
95.01273	4.6
95.04898	2.3
98.19803	3.8
99.00792	1.2
99.04415	9.8
101.02325	28.7
107.04918	1.6
111.04420	2.6
113.02324	28.3
119.03384	21.3
120.05685	2.0
127.31792	1.3
131.03424	4.4
135.04405	1.8
143.03412	4.4
149.04494	1.8
157.06491	1.6
159.08037	2.5
161.04427	7.9
161.09618	2.5
161.13260	23.4
162.13622	2.2
169.10103	1.5
173.04489	2.1
179.05540	18.5
185.13313	3.7
187.11208	42.7
188.11549	2.3
191.05467	1.6
193.79739	1.4
203.14372	2.3
205.12276	59.6
206.12657	4.3
211.86180	1.4
229.12325	14.1
229.88618	1.4
231.10281	3.0
243.03313	1.3
247.13435	5.9
249.11302	100.0
250.11592	7.9
259.13354	1.5
271.02466	2.8
291.12418	5.2
297.39746	1.2
300.02750	3.8
351.14255	1.5
385.18753	6.7
411.16602	17.8
429.17642	99.6
430.17899	11.4
590.31805	1.7
591.22876	13.4
591.31598	5.9
592.22919	1.7
614.78241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.6
57.03326	2.2
59.01250	70.4
69.35664	11.7
71.01255	23.9
73.02821	30.2
75.00729	1.4
80.13906	1.0
83.01268	9.0
85.02404	1.1
85.02805	6.1
87.00764	3.4
89.02315	5.2
93.03346	4.2
95.01260	2.3
96.95816	1.4
98.19762	2.1
98.36662	1.2
99.04379	1.6
101.02320	30.0
109.02847	2.5
113.02345	11.9
119.03382	3.6
121.02848	5.4
122.03726	1.3
123.00768	3.8
123.04424	1.7
125.02310	2.0
131.03400	2.0
135.04434	4.0
136.00529	2.3
136.01564	44.9
137.02368	8.0
138.03085	2.0
149.04420	3.9
151.00299	11.9
151.03915	57.2
152.01091	4.0
152.04478	3.1
152.70703	1.3
153.01894	1.5
153.05434	1.6
161.04480	6.8
163.03876	1.3
166.02625	28.2
167.03371	4.9
173.04407	2.1
175.03929	1.7
177.01817	4.2
177.05406	1.8
179.03540	1.5
181.04980	32.6
182.05284	2.9
188.11317	1.2
191.05478	3.5
203.07127	4.1
310.23755	2.0
329.10217	1.8
339.12317	4.1
357.09738	9.8
369.13358	4.1
370.26044	1.6
372.11957	6.4
387.14508	100.0
388.14908	8.5
411.14484	1.3
518.15088	1.5
531.28107	3.7
547.27661	4.8
591.16492	1.6
591.30298	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
59.30193	0.2
62.85864	0.2
63.30886	0.2
69.48186	1.7
71.01248	1.5
73.02845	0.4
73.80731	0.2
83.01230	0.2
85.02829	0.5
89.02314	0.8
95.01264	0.2
99.04395	100.0
100.04720	2.3
101.02319	1.1
113.02320	1.3
119.03378	0.5
122.74162	0.2
125.02354	0.4
128.84618	0.2
143.03351	0.3
157.79192	0.2
159.02925	0.2
159.24277	0.2
160.08859	0.2
161.03206	0.3
161.04478	4.2
167.12143	0.2
215.43793	0.2
261.09778	42.7
262.10129	2.7
308.14871	0.2
320.40314	0.2
373.77454	0.2
411.13034	1.8
536.68298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.5
71.01255	2.1
73.02807	0.7
85.02814	0.8
89.02341	0.9
99.04397	100.0
100.04729	2.7
101.02312	1.2
111.00768	0.2
113.02349	1.1
117.01842	0.2
118.97972	0.2
119.03384	0.4
123.04352	0.2
125.02357	0.4
143.03386	0.5
159.02893	0.2
161.04465	3.5
191.05556	0.4
261.09790	33.6
262.10126	2.5
367.13876	0.2
411.13147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63318	2.1
56.60319	1.7
57.03308	2.0
58.17025	2.0
59.01254	46.8
60.58068	1.7
65.03835	16.9
67.01764	17.6
70.88150	3.9
71.01256	11.7
72.99158	5.7
73.02803	4.9
73.35987	1.8
81.03314	3.1
83.01250	2.2
83.19389	1.9
83.26810	1.9
85.02820	8.2
87.00738	2.9
89.02312	6.3
91.05417	11.7
93.03323	9.8
95.01241	2.4
96.95878	3.7
97.02811	2.4
101.02290	7.7
107.04908	6.8
108.02039	4.8
109.02843	86.1
110.03162	2.4
111.00727	10.8
113.02338	5.3
119.04871	2.8
121.02844	23.1
123.04388	3.9
125.02266	2.4
129.07011	2.9
131.04897	4.7
131.08521	2.7
131.39528	2.0
133.02869	26.3
133.06458	2.9
134.67163	1.8
135.03433	4.1
135.04422	62.3
137.02315	7.4
147.04320	2.6
149.02348	2.4
149.05936	6.1
151.03897	4.2
152.01100	2.1
153.00652	2.8
153.01846	41.9
154.02139	2.7
157.06509	2.5
159.04420	8.5
161.02351	5.3
161.04480	3.0
161.05959	3.6
165.01820	4.7
165.05475	2.4
169.58386	1.9
171.10051	2.1
173.04474	6.0
173.05968	24.2
174.14557	1.9
175.03935	27.3
175.07553	27.2
176.04182	2.1
179.03410	8.1
191.05508	19.4
191.07063	4.2
199.07579	3.4
201.05412	4.3
201.09164	10.3
203.03395	4.2
209.06177	2.7
209.08174	2.8
211.03967	4.7
215.07013	4.7
217.04979	8.8
219.06589	8.6
221.72691	1.9
225.05484	5.9
227.07106	15.3
233.08098	4.5
239.07014	5.0
245.08038	6.9
251.09178	6.8
259.09760	2.5
271.06125	19.1
276.87442	2.2
277.04984	4.8
291.06522	4.8
307.09760	9.2
319.09570	2.9
325.08829	3.9
327.12439	2.7
335.05658	3.0
339.08795	7.3
343.09811	8.6
349.10907	3.1
351.08563	3.8
355.11874	17.8
356.12338	3.0
381.09842	14.3
383.12872	3.1
387.08896	3.1
397.08887	2.4
401.14047	3.1
405.09738	5.1
411.10999	3.7
419.14993	6.0
445.13019	3.6
463.14035	11.8
481.15033	14.2
497.12411	27.9
498.12766	6.6
515.13428	25.5
516.13605	4.5
537.15576	3.2
555.16486	20.4
556.17249	3.1
573.17694	31.7
574.18097	5.9
591.18665	100.0
592.18903	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27056	4.9
59.01253	54.9
65.00183	7.3
65.99697	9.8
69.29591	55.5
71.01257	23.0
73.02821	19.5
75.69765	5.1
79.22857	5.0
82.00492	5.2
89.02316	11.6
93.03329	21.3
98.19762	10.6
99.00693	6.8
101.02323	15.7
107.01267	8.0
109.02834	9.7
113.02359	8.6
113.36236	5.4
117.03333	6.1
119.03320	6.3
121.02834	6.7
123.00741	8.9
132.02071	8.7
134.02380	17.1
135.00731	10.5
135.04465	7.4
137.02333	41.6
138.75163	5.2
142.86436	6.0
143.04898	5.9
146.02310	5.1
147.00781	5.6
149.02345	18.0
151.00278	23.9
151.04091	5.7
158.02397	6.1
162.01865	45.6
163.00319	32.1
164.03380	33.5
175.00180	6.6
176.01060	10.6
177.00456	9.9
177.01862	99.8
178.99792	7.4
185.06052	5.4
186.01897	27.9
190.01323	15.4
202.99831	12.2
203.02191	21.1
204.02956	85.2
225.05569	6.6
227.03432	9.1
229.04968	10.4
230.00813	8.5
233.04256	5.5
240.04192	5.9
255.02934	23.4
257.04535	9.7
268.03699	8.0
269.04324	6.9
278.04517	17.0
279.02869	19.5
283.02499	6.4
284.03085	12.2
285.03943	8.6
297.03931	28.1
298.04507	7.1
300.02664	12.8
301.03528	19.7
305.03217	6.0
306.04092	57.6
323.04398	42.6
324.05139	100.0
325.05444	11.1
331.84537	5.5
337.09280	5.7
341.05435	40.1
342.06049	24.2
343.11920	8.0
381.08075	10.7
385.07767	6.7
426.10532	52.7
452.08142	12.8
505.09937	10.9
528.11481	23.1
546.12500	83.8
547.13031	10.4
547.27826	8.6
573.20837	5.3
590.31885	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98992	0.6
59.01252	16.5
65.36375	0.7
71.00864	0.7
71.01231	3.2
71.50738	1.1
73.02806	0.7
78.95796	1.0
86.26819	0.6
89.02309	2.3
95.01289	0.7
99.00816	0.7
101.02330	3.4
113.02318	1.0
116.79865	0.6
119.03352	1.1
137.78503	0.6
161.04480	1.5
223.13313	0.8
253.09264	12.4
293.24869	100.0
294.25192	10.0
309.20697	1.0
529.32977	0.8
545.21979	1.0
589.32471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50927	0.3
59.01229	0.2
59.64218	0.3
72.99170	1.8
75.00749	100.0
76.01089	1.1
98.19738	0.5
126.55639	0.3
128.59021	0.3
153.16058	0.3
174.65239	0.3
277.21658	0.4
291.23370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	36.2
71.01243	5.7
73.02794	1.7
74.03677	1.5
85.02814	1.8
89.02320	6.0
96.62742	1.2
98.19783	4.5
101.02324	6.5
101.87262	1.4
107.81059	1.5
113.02328	4.5
121.10101	7.2
122.10493	1.4
129.96248	1.5
135.04439	1.7
161.04451	2.1
171.10188	22.8
185.11739	1.6
205.99387	1.5
231.21103	2.3
235.08173	2.6
235.16920	2.4
248.54485	2.0
253.09279	33.2
254.09753	2.2
275.20175	35.1
276.20456	4.3
293.21231	100.0
294.21588	12.0
574.74561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54943	2.0
59.01259	34.0
71.01260	8.6
71.44708	3.8
89.02317	7.8
96.95920	2.7
101.02338	8.3
109.02837	4.0
113.02361	2.6
119.03400	2.2
119.58153	1.9
121.10114	8.0
125.09657	2.4
135.04407	8.3
161.04485	3.4
167.03406	2.7
171.10185	26.1
173.04538	2.1
177.05461	3.3
231.21121	2.5
235.08125	2.6
253.09268	35.3
254.09758	2.4
275.20151	30.4
276.20450	4.1
277.41571	2.1
293.21237	100.0
294.21518	12.1
361.51401	2.2
365.10129	3.1
369.13281	3.4
403.88171	2.1
461.16223	2.8
479.17291	3.6
484.94904	2.0
571.19769	6.1
589.20618	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23413	3.6
56.11565	3.2
59.01255	100.0
71.01260	41.5
71.57637	4.8
73.02821	48.7
83.01279	13.2
85.02843	8.4
87.00756	5.6
89.02327	11.9
94.66374	3.4
101.02325	46.7
111.00703	4.0
113.02353	21.7
119.03401	6.3
131.03380	6.4
143.03351	6.4
149.04515	9.9
161.04449	15.9
191.05412	5.8
209.11859	3.3
221.06523	5.8
233.15413	7.4
241.75793	3.7
455.22827	6.4
565.65350	4.0
589.26563	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
69.25729	1.8
69.26138	0.4
72.99183	2.0
75.00748	100.0
76.01089	1.0
78.95766	0.5
98.19818	0.4
152.99509	0.6
168.22636	0.2
277.21780	0.4
279.23239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	5.9
59.01247	100.0
67.01748	6.3
69.03336	4.6
71.01260	28.6
72.99187	10.0
73.02821	11.4
75.00761	5.7
83.01261	6.6
83.04896	8.5
85.02830	20.5
87.00761	9.1
89.02332	5.9
91.02516	4.4
93.03340	23.5
96.95870	10.8
98.19845	13.3
101.02331	14.4
108.02010	6.2
109.02824	20.8
111.04327	5.7
113.02339	7.3
119.04894	11.3
121.02857	11.3
123.04416	11.9
133.02913	7.8
134.03679	6.4
135.02840	15.0
135.04395	55.7
137.02335	14.4
147.04472	12.1
149.02370	4.8
151.03853	6.9
159.04352	5.3
161.02365	6.3
161.05917	5.3
163.03928	11.4
165.05469	32.9
173.04501	22.8
175.07455	7.3
177.05496	6.2
177.09216	8.1
179.03375	13.3
189.09149	6.9
191.05536	47.9
192.05948	5.6
199.13274	5.2
203.10693	21.9
205.08600	5.9
217.01401	5.3
217.08646	18.4
219.10297	7.0
229.74149	6.1
235.09695	9.1
341.13907	52.4
385.16791	7.2
385.21829	6.3
411.10699	14.3
529.20789	8.2
545.20575	8.4
571.15430	5.2
589.17310	5.5
589.36755	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86297	2.4
57.03311	2.7
59.01252	37.0
69.52411	16.4
69.52820	4.4
71.01266	13.5
73.02820	3.1
83.04890	3.1
85.02826	8.4
89.02341	3.3
91.05404	10.9
93.03352	7.3
95.01244	2.5
96.55448	2.5
96.95882	4.8
97.33599	3.1
101.02328	7.3
107.04883	2.5
109.02827	15.5
113.02348	4.4
115.56139	2.3
116.35828	2.3
116.92706	3.7
119.04922	2.5
121.02854	21.1
129.44354	2.7
134.89366	7.9
135.04422	100.0
136.04770	8.0
137.02321	7.3
147.04413	10.1
149.02376	7.6
149.05978	4.0
150.03050	2.7
151.03958	6.1
161.05981	8.0
163.03922	4.1
165.80328	2.3
166.45044	2.6
173.04443	4.4
177.09183	3.8
189.09181	8.2
191.05580	17.4
192.07819	6.1
193.08635	9.1
201.09117	10.3
203.10796	8.9
205.08607	7.4
219.10280	17.2
221.63239	2.5
325.14560	6.3
334.01776	2.9
341.13992	26.6
545.20160	20.7
546.20856	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
59.01253	42.5
65.03820	0.8
67.01751	6.3
71.01257	20.8
71.58185	0.9
72.99176	1.1
73.02821	31.3
79.95580	1.0
83.01257	9.4
83.09769	0.7
85.02819	4.0
87.00745	1.7
89.02322	4.8
91.05410	2.4
93.03339	4.5
96.95892	19.2
97.02887	0.9
101.02323	27.1
108.02027	1.6
109.02827	2.7
111.04408	0.9
113.02320	6.1
117.03287	0.8
117.06969	3.8
119.03389	1.7
121.02818	1.6
123.04381	1.0
125.02294	1.3
131.03365	1.3
133.02832	1.6
133.06503	1.1
134.03625	7.9
135.00746	1.7
135.04422	19.7
136.04768	1.2
137.02324	2.3
138.03127	0.9
143.03401	1.6
147.04427	11.3
147.07997	1.2
148.05162	3.2
149.02315	2.6
149.04544	1.2
149.05966	1.8
151.00270	1.0
153.01773	1.0
155.03387	1.5
157.10005	1.0
159.04370	1.8
159.08043	0.9
160.05214	2.2
161.04495	3.9
161.05981	34.3
162.06305	1.8
163.03827	1.0
163.07538	1.1
165.05502	0.8
169.06439	0.9
171.04501	1.5
172.05151	0.9
173.04425	3.3
173.05998	2.4
175.07584	8.1
176.07907	1.1
177.01813	3.2
177.18282	0.7
185.05998	2.9
185.11737	1.4
187.07520	1.0
188.08247	0.9
189.09164	11.6
191.05527	5.3
192.07919	4.7
193.08655	19.1
194.08920	1.4
199.07544	1.1
201.09157	14.3
202.09433	1.5
205.08635	22.8
206.08965	1.8
217.01286	0.8
219.10219	100.0
220.10544	6.4
231.10233	16.6
231.12465	1.2
232.10626	0.9
243.15967	1.2
307.09818	1.8
339.07056	1.9
341.23285	3.4
357.12067	3.7
367.15536	12.0
367.20340	1.4
368.15649	1.3
369.07190	1.8
369.11890	35.7
370.12195	3.5
383.13437	4.8
385.22318	6.0
395.13354	2.8
522.73029	0.8
547.31799	0.9
557.12695	0.9
589.22241	9.5
589.31091	1.7
590.23004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86297	2.4
57.03311	2.7
59.01252	37.0
69.52411	16.4
69.52820	4.4
71.01266	13.5
73.02820	3.1
83.04890	3.1
85.02826	8.4
89.02341	3.3
91.05404	10.9
93.03352	7.3
95.01244	2.5
96.55448	2.5
96.95882	4.8
97.33599	3.1
101.02328	7.3
107.04883	2.5
109.02827	15.5
113.02348	4.4
115.56139	2.3
116.35828	2.3
116.92706	3.7
119.04922	2.5
121.02854	21.1
129.44354	2.7
134.89366	7.9
135.04422	100.0
136.04770	8.0
137.02321	7.3
147.04413	10.1
149.02376	7.6
149.05978	4.0
150.03050	2.7
151.03958	6.1
161.05981	8.0
163.03922	4.1
165.80328	2.3
166.45044	2.6
173.04443	4.4
177.09183	3.8
189.09181	8.2
191.05580	17.4
192.07819	6.1
193.08635	9.1
201.09117	10.3
203.10796	8.9
205.08607	7.4
219.10280	17.2
221.63239	2.5
325.14560	6.3
334.01776	2.9
341.13992	26.6
545.20160	20.7
546.20856	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	1.1
59.01249	8.6
60.42718	1.0
63.70503	1.0
65.03826	2.7
69.41048	11.0
71.01243	3.8
78.95782	1.3
85.02830	1.4
89.02316	1.5
91.05399	14.0
93.03349	4.9
95.04903	2.1
96.95877	1.8
101.02299	2.1
107.04924	1.6
108.02048	1.9
109.02846	10.8
111.00759	1.9
121.02838	27.4
122.03649	2.1
133.02878	2.4
134.03662	9.8
135.04411	100.0
136.04765	3.7
137.79906	1.2
145.10175	2.2
147.04411	16.1
148.05251	6.0
159.04402	2.7
161.04559	1.2
161.05928	1.8
163.07544	17.6
166.02649	1.6
172.05148	1.4
172.65320	1.0
173.04539	1.7
174.06738	1.3
175.07607	7.3
177.01930	2.0
187.07562	6.4
189.09135	74.7
190.09489	5.0
191.05531	2.8
193.08670	9.6
201.09122	12.7
202.09431	1.2
205.08641	48.8
206.08942	3.3
217.34358	1.3
219.10211	69.5
220.10553	4.1
231.10228	8.6
255.81850	1.2
323.12885	2.6
339.93942	1.2
341.13922	54.0
341.23071	2.0
342.14243	4.5
385.22165	3.8
459.46335	1.4
509.18628	1.3
545.20258	34.8
546.20447	5.9
589.19281	1.4
589.28400	1.8
590.27228	1.4
603.71649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49041	0.5
59.01251	15.6
70.47897	1.4
70.48260	1.1
71.01242	4.3
71.23582	0.5
72.99175	0.7
73.02814	0.8
85.02815	1.5
87.00743	1.1
89.02332	3.8
93.03377	1.0
95.01226	0.6
99.00772	0.7
101.02322	5.0
113.02319	2.4
119.03452	0.7
135.04399	1.8
143.03381	0.6
148.08797	0.5
150.10422	0.7
161.00682	0.6
161.04402	1.5
161.05931	1.7
165.05376	0.8
165.12766	13.9
173.04492	0.8
179.05603	0.6
179.07054	0.8
191.05528	1.6
191.14291	0.5
202.04433	0.6
203.10699	0.9
206.92181	0.5
217.12241	0.8
218.42081	0.7
247.20647	6.3
248.20889	0.6
253.09264	17.4
254.09573	0.6
273.18491	3.8
274.18823	0.8
291.19653	100.0
292.20013	9.4
358.45505	0.5
365.17526	1.2
383.18631	1.8
605.76703	0.6
611.84863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
57.26346	0.8
57.72118	0.9
59.01251	15.3
60.99171	1.1
64.88411	1.0
67.01757	8.8
69.03314	2.4
69.25996	10.1
71.01252	8.7
72.99176	1.1
73.02813	2.3
78.95771	3.2
81.03336	2.0
83.01285	2.2
83.04903	2.6
85.02825	11.4
87.00751	6.8
89.02332	1.5
93.03338	50.3
94.03722	1.5
96.95896	2.4
99.04399	1.5
101.02315	5.1
104.21004	0.9
105.03346	5.6
109.02833	5.7
110.98457	1.6
111.00721	1.7
111.04404	8.6
113.02322	3.3
121.02843	2.5
123.04403	2.3
125.02370	1.1
127.03891	2.7
127.94384	0.8
132.02084	1.5
133.02855	32.2
134.03604	2.2
135.04422	22.9
136.04749	1.7
137.02344	5.9
142.70627	0.9
143.03424	0.9
147.04388	1.2
149.02336	1.8
149.05989	1.0
150.03081	1.1
151.03944	2.1
155.03410	4.1
159.04453	1.2
160.01576	5.1
161.02354	3.3
161.05942	1.3
164.04709	1.0
169.36220	1.0
173.04475	83.3
174.04814	3.1
177.01846	18.2
178.02544	3.1
179.03386	8.0
191.05542	100.0
192.05875	3.7
203.34843	1.0
205.08711	1.3
207.02887	10.5
208.03668	3.7
215.05583	7.0
219.10272	4.4
222.05305	9.2
223.06061	6.1
237.07587	9.2
281.08264	3.0
307.07935	1.3
318.56656	0.9
351.07211	7.2
352.07608	1.2
366.09555	1.2
367.10550	1.2
367.20911	1.1
369.11688	1.2
383.07706	1.9
385.22296	2.1
397.09210	5.2
398.09747	1.0
415.10342	1.4
557.12915	2.3
589.14929	1.6
589.31293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06670	1.6
59.01252	29.5
63.05939	1.4
68.34491	1.3
71.01260	9.4
71.04896	15.0
71.57932	3.6
79.10690	1.4
85.02826	3.3
87.00782	1.8
89.02309	8.2
93.03365	2.7
96.95885	5.9
97.06470	5.4
101.01781	1.4
101.02329	8.6
113.02307	4.1
119.03383	2.1
121.02842	2.4
135.04437	11.1
149.63280	2.0
161.04440	2.8
173.33919	1.6
191.05507	3.9
203.10728	2.2
207.13840	2.1
217.12195	2.2
217.15906	1.8
219.13918	2.2
253.09242	25.3
254.09744	1.8
291.19675	100.0
292.20123	8.0
293.96567	1.7
339.16071	5.6
356.35205	1.5
527.28571	3.6
533.47144	1.7
587.35297	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81270	0.7
58.00464	0.9
59.01251	23.9
71.01250	5.5
71.58467	1.2
72.77285	0.9
73.02822	1.2
78.95768	2.2
79.59532	0.9
85.02833	2.0
87.00761	1.7
89.02323	4.1
93.03343	2.4
96.95891	1.8
101.02319	4.9
113.02346	2.6
119.03407	1.1
119.04922	1.9
125.05940	0.7
133.02850	1.1
135.04420	3.4
137.02319	1.5
149.33667	0.7
151.03937	1.1
152.99547	2.7
154.08652	3.2
161.02359	1.9
161.04427	1.4
165.12759	13.7
171.10194	1.2
173.04478	3.5
179.03464	1.7
191.05521	6.1
199.21504	0.9
205.08618	1.5
217.08612	1.0
221.45987	0.9
247.20621	6.8
248.21008	1.0
253.09262	15.6
267.06833	0.9
271.22742	2.8
273.18680	5.9
291.19659	100.0
292.19977	9.0
292.22958	1.2
323.47034	0.9
339.05035	0.8
587.28113	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	8.3
59.01238	2.6
70.00085	4.4
73.02826	1.3
81.03327	1.1
83.04888	7.8
96.95912	1.0
97.06471	11.8
98.20537	1.0
109.06484	2.3
110.94958	0.9
111.08044	54.6
112.08400	1.7
123.08031	6.7
125.09614	100.0
126.09960	4.4
129.09102	1.4
143.10677	1.1
169.08597	3.2
173.08113	42.5
187.09688	73.7
188.10046	2.6
190.47935	0.9
191.05446	1.5
215.65793	0.9
229.10799	1.6
243.12337	3.1
247.11865	6.5
261.13406	8.3
291.19672	3.6
398.26495	1.0
399.20157	1.0
417.15866	1.7
417.21320	26.3
418.21533	3.0
431.22787	13.9
432.23166	1.4
501.48068	1.2
569.30011	1.9
587.30695	97.5
588.30951	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00950	1.4
59.01249	24.7
61.98679	0.9
70.40388	3.3
71.01267	6.7
71.04896	15.8
73.02820	1.6
83.01264	1.4
83.04897	1.0
83.94517	0.9
85.02797	1.0
85.76389	1.0
87.00756	1.1
87.73566	1.0
89.02327	3.8
96.95910	2.3
97.06464	4.0
101.02336	6.2
113.02319	2.0
119.03400	1.0
122.90950	1.1
135.04424	2.4
143.88824	0.9
161.04536	2.4
161.05997	6.4
181.12292	1.3
182.94360	1.1
191.05518	2.0
195.13864	1.3
203.10721	3.6
207.13745	1.1
217.12274	1.9
219.13873	2.6
235.16995	2.7
247.20625	1.4
253.09267	21.5
273.18677	1.9
291.19662	100.0
292.20062	9.9
365.17618	2.3
465.45374	1.1
527.28827	2.0
587.24127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	23.7
68.26096	1.3
69.81689	7.5
71.01264	7.8
71.04896	12.6
73.02821	2.5
76.91934	1.2
78.95795	2.0
85.02824	2.4
87.00736	3.2
89.02328	4.8
91.05393	2.9
93.03331	1.6
96.95878	3.6
97.06438	4.4
98.89776	1.4
99.09676	1.4
101.02316	6.3
101.56474	1.6
109.02847	4.4
113.02335	3.7
116.03674	1.5
121.02838	3.9
133.80991	1.3
135.04413	30.5
141.37381	1.4
147.04358	2.6
161.04411	2.4
175.14326	1.2
176.73035	1.5
179.03375	7.5
191.05466	4.0
207.13879	1.6
217.12320	3.5
219.13710	2.1
235.17128	1.6
253.09283	26.8
273.18741	1.7
291.19644	100.0
292.20078	7.9
339.15918	10.6
340.16391	1.9
527.28693	3.8
587.35883	2.5
598.60638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.0
61.98710	0.7
65.03805	0.5
67.01751	6.9
70.46586	1.4
70.46976	2.3
70.58781	0.6
71.01256	1.7
74.32269	0.6
74.41318	0.5
78.95775	0.7
85.02830	1.3
89.02317	0.9
91.05386	1.2
93.03320	2.3
96.95898	1.0
99.07447	0.7
101.02326	1.0
105.06980	1.1
109.02868	0.8
113.08210	0.6
117.06989	7.2
121.02840	0.8
123.04431	1.9
133.02782	1.0
134.03615	1.2
135.04414	33.9
136.04759	1.4
137.02290	0.6
138.23393	0.6
147.04413	11.8
148.04730	0.7
149.05989	6.4
152.99467	1.1
153.05473	11.1
159.04420	6.1
161.05989	100.0
162.06325	5.2
165.05495	20.5
166.05923	0.9
167.61775	0.7
173.04469	1.7
173.05928	1.1
175.07455	0.7
179.07057	37.3
180.07323	1.2
185.44891	0.6
191.05539	5.1
191.07095	1.5
191.10716	0.9
201.09253	0.9
202.09888	3.1
203.10628	2.0
217.12299	18.8
218.12636	1.4
271.22815	1.3
291.19775	1.8
339.15933	2.4
340.16489	0.9
365.17398	3.4
383.18631	76.5
384.19043	9.2
393.09726	0.9
405.53845	0.6
445.03067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59325	0.2
59.01241	1.2
59.06926	0.2
67.01747	0.2
71.01249	0.4
75.00723	0.3
75.71187	0.2
83.04889	0.2
85.02768	0.3
91.05405	0.8
93.03328	0.3
96.95875	0.6
97.57206	0.2
99.00717	0.4
108.02036	0.9
109.02843	0.8
115.00236	0.2
119.04898	0.3
121.02838	1.5
122.03615	0.4
122.43828	0.2
125.09644	0.4
133.02904	0.5
133.10135	0.4
134.03632	5.7
135.02907	0.4
135.04434	3.6
137.02252	0.2
137.05962	0.4
147.04427	4.2
148.05206	13.2
149.05835	0.8
152.99373	0.2
159.04411	1.5
159.11629	0.2
160.05203	4.3
161.06029	1.4
161.07137	0.3
161.09554	0.3
163.07556	3.7
165.05472	0.5
167.07059	0.9
171.95659	0.2
173.04555	0.2
175.07565	4.3
176.07994	0.4
177.09123	21.9
178.09445	1.2
179.07028	0.5
180.04214	0.6
187.09657	0.3
188.08298	0.5
189.09137	8.8
190.09517	0.4
191.05545	0.6
193.08632	14.5
194.09012	0.9
201.09161	0.8
203.10707	100.0
204.11029	6.0
204.12952	0.2
215.10754	0.9
227.10771	0.3
229.88507	0.3
269.08286	0.3
291.19748	0.6
365.17621	0.7
383.18619	38.4
384.18961	4.1
393.89102	0.2
407.17172	1.2
562.82861	0.2
587.24774	1.9
588.25275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.4
61.37968	1.0
65.03811	1.2
69.63371	7.4
73.66115	1.1
74.12527	1.1
78.95769	1.6
91.05418	13.3
93.03349	3.0
93.69331	1.2
106.14204	1.1
109.02840	14.3
117.67256	1.0
119.91951	1.1
121.02841	13.8
135.04414	100.0
136.04755	4.7
147.04449	8.1
159.04413	3.5
176.07664	1.1
207.34300	1.1
217.12283	16.9
218.12498	1.2
226.39761	1.0
271.13953	1.1
285.60602	1.4
291.19653	4.4
339.15985	39.5
340.16168	5.3
508.83401	1.3
530.31342	1.3
543.22400	11.5
544.22577	1.7
587.28278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58875	1.0
55.01744	1.7
58.00466	2.0
59.01251	86.4
67.01739	1.6
69.03320	2.6
71.01255	57.8
71.04901	1.1
71.49775	2.0
72.99184	3.7
73.02821	72.6
74.03122	1.0
74.30199	1.0
83.01258	26.4
85.02824	5.1
87.00767	2.1
89.02319	7.9
93.03372	1.3
95.01285	1.2
96.95887	2.4
97.02796	1.1
99.00751	2.2
99.04369	1.0
101.02324	63.2
111.00735	1.1
113.02319	13.6
119.03391	3.5
119.96738	1.0
121.02888	1.7
125.02299	3.0
125.09577	1.6
131.03395	4.1
134.03667	5.5
135.04388	4.3
136.49959	0.8
143.03392	4.4
147.04439	12.4
148.05197	14.0
149.04419	2.9
155.03358	3.0
159.04454	5.9
160.05211	2.0
161.04448	11.4
161.05968	7.3
166.02643	1.0
171.10097	1.8
173.04445	1.6
175.07553	2.7
177.09149	16.9
177.73267	1.0
180.04237	1.7
182.27383	1.0
188.08376	1.5
189.09171	6.7
191.05510	2.8
195.03204	0.9
195.86938	1.0
201.09123	2.3
202.09953	2.1
203.10721	100.0
204.11078	7.1
215.10742	2.5
217.12288	1.6
253.09264	1.4
260.62598	0.9
266.78198	1.0
291.19620	8.4
365.17560	40.5
366.17798	4.2
383.18488	2.6
397.14890	3.2
459.04431	1.1
527.22760	2.1
539.81366	1.2
545.23688	1.8
587.24951	23.4
588.25031	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	6.8
59.01253	99.0
61.98714	8.1
69.31128	71.6
71.01241	31.4
72.99175	6.6
73.02830	28.5
78.95786	12.0
85.02827	21.5
87.00758	12.3
89.02312	16.7
93.03332	24.1
94.76764	6.1
95.01218	9.2
96.95898	51.5
101.02316	19.5
104.60768	6.9
108.02036	12.9
109.02849	32.2
113.02293	11.8
117.59200	6.2
119.04913	43.0
121.02857	80.7
123.04373	8.8
125.02320	10.7
133.02872	26.6
135.04393	24.9
137.02316	12.5
147.04402	8.8
152.01038	14.2
159.04393	7.6
161.04597	8.8
163.03949	33.2
172.40210	6.7
173.04431	26.4
175.07579	12.9
187.07550	41.0
191.05553	48.7
199.07570	27.1
205.08560	9.4
217.08635	15.9
222.56720	7.5
299.01895	8.9
309.11337	9.3
321.11215	24.7
339.12357	100.0
340.12784	13.7
353.08313	11.2
484.63815	10.5
527.28625	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05784	2.9
65.03822	2.4
69.85985	7.2
69.86395	7.0
73.84908	2.2
85.54313	2.1
91.05397	10.0
98.19801	4.1
103.63338	2.4
104.30473	2.6
108.26186	2.3
109.02852	15.2
112.13968	2.7
121.02816	10.6
135.04411	100.0
136.04704	3.0
139.52042	2.2
147.04358	4.8
159.04399	2.5
174.25850	2.3
217.12311	17.3
229.29167	2.5
246.83704	2.5
339.15948	47.5
340.16238	4.3
382.85248	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08240	1.0
57.03309	1.1
59.01250	55.4
59.74031	0.8
61.98695	1.6
66.72346	0.8
67.01768	0.9
69.03342	1.9
71.01254	29.6
72.61415	0.8
72.99178	1.5
73.02815	32.3
78.95750	4.6
79.17904	0.8
81.03296	1.3
83.01255	9.4
85.02821	4.4
87.00748	1.7
89.02316	4.1
93.03329	3.5
96.95882	3.8
97.02838	1.1
98.20566	2.3
98.95467	0.9
99.00743	2.0
101.02328	26.3
102.02680	0.9
107.48385	0.9
109.02841	2.1
113.02328	7.3
114.02631	0.9
116.57025	0.8
119.03458	2.4
119.04913	100.0
120.05247	3.5
121.02850	0.9
125.02327	1.7
127.03867	1.1
128.54778	0.9
131.03362	1.0
134.03535	0.8
135.04422	5.0
137.02342	1.6
140.41449	0.9
143.03430	1.1
149.04570	1.0
155.03409	1.4
157.06491	5.0
161.02339	1.9
161.04466	3.7
163.03889	0.9
173.04480	5.0
179.03401	1.0
191.05548	12.6
201.05481	3.7
219.06528	1.8
227.03590	0.9
229.81242	1.0
241.05293	0.9
271.02316	1.4
285.03998	1.1
321.11301	65.9
322.11658	8.0
501.17471	1.1
543.18738	26.8
544.18939	5.4
587.33203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.3
71.01266	1.1
71.34544	1.6
76.19011	0.8
80.96402	3.1
82.95998	2.7
106.57887	0.8
107.08586	4.7
111.08090	1.1
121.10115	7.3
139.11218	5.2
155.10674	1.0
164.98593	0.8
167.10706	2.9
171.10193	17.3
183.10139	1.6
185.11757	1.7
199.13316	3.2
213.11298	1.9
214.12102	1.0
227.00520	0.9
227.12973	1.2
240.13602	1.7
247.20648	3.2
263.20117	1.3
265.21707	1.2
273.18597	2.2
275.20142	21.5
276.20422	3.2
291.19672	48.2
292.20111	5.4
293.21234	20.0
294.21661	2.3
309.20715	100.0
310.21091	9.6
357.44751	1.0
567.39978	2.3
585.32104	8.4
585.41199	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76997	0.9
52.94915	0.7
54.08706	0.7
54.67074	0.7
57.03317	2.4
59.01234	3.4
69.03326	1.1
70.90656	2.6
72.60223	0.8
83.04917	1.4
95.44469	0.9
97.06445	1.1
107.08548	4.3
121.10123	21.9
122.10467	1.7
123.08083	1.6
125.09587	3.8
135.07968	1.0
137.09608	2.0
139.11200	4.4
146.31181	0.9
151.11180	1.2
153.09059	1.3
171.10176	42.5
172.10530	2.2
185.11699	2.4
187.09656	2.2
197.11798	1.6
199.09695	3.3
199.13333	2.6
201.11237	1.1
223.13269	1.1
231.21150	3.2
247.20676	3.4
263.20154	2.4
273.18527	2.1
275.20163	52.7
276.20523	5.2
291.19662	100.0
292.19980	10.6
293.21228	66.7
294.21567	5.7
309.20712	65.0
310.21106	6.4
426.97104	0.9
445.29614	3.6
453.98679	1.0
523.42200	1.0
549.39264	6.8
567.40546	9.1
568.40942	3.2
579.98938	1.0
585.32312	1.5
585.41559	7.2
586.42120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25398	0.7
59.01246	0.9
71.34977	1.6
78.95775	77.8
85.77187	0.7
92.79367	0.8
93.91485	0.8
96.96843	15.9
150.95152	0.8
150.97934	1.3
152.99489	67.5
181.33614	0.8
185.02046	0.9
200.62764	0.7
222.99995	3.2
241.01151	37.8
242.01430	1.5
248.59599	0.8
248.65489	0.7
249.90384	0.7
259.02328	1.3
269.24844	83.3
270.25150	7.6
310.47012	0.7
315.04868	10.3
405.24109	6.3
409.80743	0.7
585.30432	100.0
586.30737	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43423	5.1
57.88666	5.9
68.17651	4.9
69.24593	59.2
90.16651	5.0
91.81152	5.6
123.08057	13.3
129.75275	6.3
139.11227	7.1
197.29309	5.7
199.13390	29.9
205.83755	6.3
245.19150	12.5
277.21735	28.5
289.18106	84.4
307.19174	100.0
308.19577	10.0
399.26767	6.6
439.69885	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	21.1
59.87943	0.3
66.69977	0.3
70.67424	0.5
70.67764	0.6
78.95777	22.0
80.96405	0.5
96.96848	0.6
122.98394	0.5
125.42811	0.4
152.99519	3.5
168.04221	2.8
213.72435	0.3
224.06885	9.0
225.07256	0.4
239.28259	0.3
242.07936	2.0
283.26416	100.0
284.26764	11.8
307.19208	0.4
508.34073	52.7
509.34393	7.7
509.41916	0.4
582.30328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72529	0.5
55.52959	0.6
63.96114	1.1
64.94460	0.7
67.21975	0.6
69.03336	0.8
71.01257	7.0
71.35015	1.5
73.02828	0.8
75.14400	0.6
78.98460	7.8
79.95601	9.8
80.01197	0.5
80.96393	69.5
81.03313	1.0
85.02816	2.6
87.00745	2.4
94.97959	16.6
96.95884	1.0
97.02802	1.7
101.02319	2.0
106.97961	3.2
122.97453	3.1
125.02341	3.8
125.09604	1.8
134.97481	4.6
136.99001	2.0
137.00063	0.6
148.99059	5.5
152.98517	5.3
159.49432	0.7
164.98531	12.3
166.11703	0.6
199.15298	0.7
206.99617	2.9
225.00694	15.2
226.01112	0.6
283.26395	2.8
287.81137	0.7
291.19492	0.9
299.04395	2.4
305.17615	3.8
348.51010	0.6
516.31659	0.8
539.27972	0.7
583.31573	100.0
584.31940	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01237	0.8
59.46521	0.4
64.39381	0.4
69.03333	0.6
69.72712	2.1
71.01257	1.0
71.04879	0.5
78.98496	0.4
79.95615	1.4
80.96394	8.5
85.02794	0.7
93.02392	0.4
93.06969	0.6
94.97975	1.5
97.06470	1.4
107.08567	0.4
116.27145	0.3
119.08546	3.6
120.07434	0.4
121.10112	7.4
123.08073	0.6
125.09615	5.4
127.11173	0.7
137.09599	2.1
139.11150	0.4
147.08058	1.4
148.98926	0.6
152.98526	0.7
164.98531	1.2
171.10182	38.3
172.10481	1.3
175.14857	0.4
177.12686	0.4
185.11755	8.9
186.12057	0.5
197.11812	2.3
200.39673	0.4
209.11714	0.5
211.13316	1.0
223.13420	0.4
225.00717	1.4
229.19502	2.2
241.19540	0.7
245.19069	0.5
273.18588	10.9
274.18881	1.0
275.20209	1.1
283.26129	0.4
289.18155	1.1
291.19659	100.0
292.19980	7.5
293.21271	0.7
309.20624	3.8
340.73245	0.4
381.29352	0.4
393.27921	2.1
411.29016	5.3
412.29242	0.9
499.99329	0.4
503.59708	0.4
565.38959	0.7
583.31567	13.0
583.40302	3.2
584.31964	2.2
584.40106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.8
59.01250	100.0
69.03320	4.2
69.43876	25.0
71.01262	34.3
72.99171	5.7
73.02805	21.9
78.95782	5.9
80.06762	2.9
81.03336	3.3
83.01269	8.2
83.04927	3.5
85.02822	23.0
87.00762	5.6
89.02334	12.5
93.03349	11.4
95.01267	4.7
96.42061	2.8
98.20540	5.6
99.00781	5.3
101.02319	25.0
108.02036	4.4
109.02785	6.7
111.00761	5.7
111.04456	3.2
113.02335	21.0
119.03432	4.1
121.39242	3.0
122.05966	3.3
123.00836	4.2
123.04379	4.5
125.02348	3.3
129.01859	3.1
135.04419	8.2
137.02336	6.4
138.20589	2.7
145.77472	2.6
146.35524	2.9
147.04384	3.3
151.03906	3.2
152.01045	5.6
153.01768	4.0
159.04373	3.3
161.02362	3.6
161.04465	7.1
165.05452	3.1
173.04482	14.6
173.05875	3.6
176.04709	4.1
191.05531	40.0
202.06335	2.9
231.13908	4.3
273.15103	10.0
283.13397	7.0
291.16061	7.9
301.14523	5.8
313.34970	3.0
327.16141	6.4
331.24985	4.3
333.26654	6.1
345.17044	7.0
363.18213	18.1
377.29306	6.3
407.16913	4.9
477.30704	55.1
495.31638	12.6
518.23608	2.9
521.33319	44.7
522.33600	8.6
537.29590	4.6
539.34485	5.3
581.22241	20.7
581.30389	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73429	1.3
61.98690	1.7
71.01248	8.3
71.35219	1.8
73.02786	1.7
78.95773	4.4
78.98461	4.8
79.95599	10.5
80.95909	3.3
80.96393	63.7
85.02799	2.4
87.00722	2.8
89.02320	2.4
93.70514	1.3
94.97959	15.5
96.95885	60.6
101.02326	3.1
103.62264	1.5
106.97956	2.6
122.97462	4.6
134.97501	4.2
136.99126	1.6
146.53914	1.5
148.99054	7.1
152.98506	5.2
152.99580	1.7
164.98526	10.0
168.63797	1.5
206.99678	2.5
225.00728	13.0
255.23183	5.0
281.24808	3.3
299.04190	2.0
350.18726	1.5
483.27142	6.0
581.29974	100.0
582.30243	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05130	3.5
57.03320	6.0
59.01252	100.0
65.03851	3.7
67.01766	6.6
69.99535	17.8
71.01254	34.3
72.99199	7.5
73.02835	7.5
75.00764	4.1
81.03330	4.1
83.01247	9.7
83.04906	7.4
85.02819	25.2
85.47776	3.3
87.00751	9.3
89.02326	5.5
93.03330	33.2
99.00723	8.1
99.04365	4.1
101.02332	24.8
109.02838	13.1
111.00760	5.0
111.04411	5.7
113.02319	16.0
125.02353	4.1
129.31638	3.3
134.03630	5.6
135.04422	9.6
137.02371	8.5
151.03925	6.1
155.03406	3.8
159.02979	4.0
160.05194	3.4
161.04454	8.0
162.23239	3.3
163.82645	3.6
173.04480	41.0
173.05853	5.2
191.05550	55.6
211.13329	8.2
213.18599	4.0
274.33237	3.7
301.23737	8.8
327.15808	4.3
333.26450	4.7
345.17062	7.3
352.10263	3.5
371.15213	5.7
389.16135	4.4
407.16983	11.0
477.30753	91.2
478.31100	18.6
495.31616	15.3
563.21271	8.1
581.22321	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	47.8
71.01264	9.9
71.58501	12.5
76.43180	5.6
78.95761	7.1
79.58788	6.1
83.70675	5.1
85.02792	9.2
87.00761	5.3
93.03336	14.9
96.95889	9.3
97.02826	6.2
101.02322	6.6
109.02826	9.7
113.02316	6.9
122.03526	5.9
130.24022	5.6
135.04445	12.3
145.09755	5.7
164.36359	5.2
173.04475	15.1
177.26517	5.7
187.07597	7.3
191.05502	27.5
210.57481	6.1
215.07253	5.2
222.73396	5.2
253.09297	24.3
255.10258	6.2
269.07031	7.9
291.19724	17.2
295.11136	6.4
309.20694	100.0
310.21011	7.9
338.31265	5.2
381.32117	5.6
462.16812	5.7
496.92236	5.3
545.29816	52.6
546.29578	8.9
581.27820	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84753	1.0
57.03325	2.6
59.01254	100.0
60.01568	1.4
61.98708	6.7
67.01762	3.6
69.03304	1.4
69.42279	9.3
71.01260	35.0
72.99176	4.6
73.02821	1.9
78.95773	2.0
83.01266	1.1
83.04896	1.1
85.02826	5.9
87.00748	5.0
89.02303	1.8
93.03339	17.0
93.50148	1.1
99.00788	1.5
101.02343	2.3
103.03214	1.4
103.03888	22.8
108.02042	2.0
109.02821	3.2
111.00777	1.6
111.04401	2.3
113.02316	2.6
121.02826	2.3
123.04398	1.3
133.02879	4.2
134.03615	4.4
135.04405	6.2
136.01497	1.5
137.02342	12.1
141.63535	1.1
146.37737	1.1
149.04459	1.0
150.03120	3.4
151.03940	3.2
153.01793	1.3
155.03502	1.6
157.04985	9.7
165.05463	2.1
170.73112	1.1
171.02904	1.9
173.04477	29.0
174.04747	1.9
178.02611	2.7
179.03334	1.5
191.05548	57.4
192.05840	2.4
195.06470	1.6
203.07126	2.0
211.13307	4.6
233.08282	1.6
247.08154	14.4
285.47415	1.1
289.09311	3.5
309.14966	1.4
327.15982	4.1
340.07935	2.6
345.17068	5.9
352.07938	2.6
364.86548	1.2
367.11743	1.4
370.08539	1.8
371.14914	3.5
407.17035	4.9
521.24005	1.4
563.21167	7.3
581.22089	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47726	2.9
57.03321	4.6
58.58472	3.5
59.01251	74.5
69.73289	18.9
71.01257	65.6
72.99178	5.2
73.02838	7.7
75.00761	8.8
83.01256	5.2
85.02811	19.8
87.00758	13.7
89.02314	62.5
95.01247	5.4
96.95883	8.0
99.00769	7.2
101.02308	33.5
105.01787	4.6
109.06441	3.0
111.00768	5.9
113.02314	20.0
119.03385	23.7
123.04413	3.0
137.02362	9.2
143.03452	3.4
159.02942	3.8
161.04422	8.0
179.05542	10.6
191.05618	6.8
212.04660	4.2
215.03358	9.0
221.11807	5.3
256.03851	20.5
257.04538	100.0
258.04834	8.5
268.63031	3.3
281.09286	4.1
419.09924	51.3
420.10062	8.6
581.15076	4.1
606.80750	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07843	8.7
59.01249	100.0
61.98703	17.8
63.34892	7.7
69.42751	74.0
71.01258	21.5
73.02818	13.9
85.02805	20.7
87.00726	8.4
89.02287	11.3
93.03320	26.5
96.95875	14.2
97.06419	8.0
98.19844	17.6
101.02322	18.9
109.02834	8.0
109.83627	7.1
135.04404	26.9
173.04482	40.0
191.05533	83.7
205.08832	7.8
233.08043	8.7
253.09154	16.6
309.20566	30.2
384.90182	8.6
482.19373	8.3
581.27960	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.9
58.28786	3.5
59.00958	4.5
59.01250	72.3
60.84704	4.6
61.98703	15.5
67.01763	6.4
71.01267	18.2
71.58583	5.3
73.02820	7.3
74.76761	4.0
77.89666	3.7
78.95782	7.1
81.87968	5.4
83.01307	4.9
85.02842	15.8
87.00759	9.7
89.02338	9.2
93.03333	34.2
93.91717	3.4
96.95893	29.5
96.96858	4.5
101.02341	11.6
103.12989	3.8
105.80979	4.1
108.02055	4.4
109.02827	9.2
109.28510	3.8
111.00695	4.1
111.04420	8.8
113.02351	8.5
119.03355	4.3
120.00680	4.0
121.02892	5.7
123.04408	4.3
134.03638	5.8
135.04430	21.4
137.02332	9.9
139.00484	3.9
153.01859	4.5
156.59474	4.0
161.02386	5.8
173.04472	48.3
179.03462	7.5
187.07590	6.1
191.05544	100.0
192.05838	9.8
193.04976	8.4
203.07056	4.3
205.08606	4.9
233.08122	17.6
247.09843	5.6
251.09236	9.0
253.09166	5.8
259.63110	5.1
267.06683	4.4
291.19583	5.2
309.20776	13.8
347.07086	4.1
351.10782	4.5
563.21100	9.8
581.20862	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56285	0.5
59.01254	22.2
60.73489	0.5
69.38153	2.3
69.38577	2.5
71.01257	2.0
73.02823	0.7
73.44096	0.5
75.31020	0.6
79.64938	0.5
85.02818	0.9
89.02285	0.7
93.03310	0.8
96.95867	0.8
99.92460	0.7
101.02334	1.0
109.02831	1.6
113.02347	1.1
116.92750	9.3
121.02825	0.8
127.34193	0.5
135.04359	1.3
137.02354	5.4
138.03156	0.6
139.00301	0.6
139.03929	0.7
145.02849	2.1
147.04427	2.3
150.03178	0.7
151.03920	4.3
152.01085	0.6
152.04689	0.7
153.01799	1.6
161.02348	1.1
161.04417	0.6
163.03908	4.6
165.05455	0.6
166.02637	0.8
166.06270	0.8
167.03453	1.2
173.02344	0.8
173.04514	0.7
173.06000	0.6
174.03075	3.0
175.03938	15.5
176.04688	4.3
177.05443	2.0
179.03467	1.2
180.04236	8.4
181.04839	1.1
188.04710	3.1
189.05560	6.5
190.06288	20.0
191.05492	1.8
191.07045	14.6
192.04225	1.0
192.07330	0.6
193.04987	7.1
194.05774	6.0
203.07086	2.3
205.08640	16.7
206.05766	0.7
206.08926	0.8
207.06554	6.9
208.07364	11.0
222.08931	2.2
223.09755	1.3
269.08203	1.4
269.13840	0.8
299.09308	0.9
311.09372	1.1
314.11594	1.2
326.11588	1.0
329.13956	7.0
330.14359	0.8
341.14038	3.4
374.13660	2.1
385.17661	0.6
389.16077	100.0
390.16440	12.2
419.17142	2.2
521.33569	0.7
550.59436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1827
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
52.09095	1.0
56.22425	1.0
59.01255	13.1
61.98700	1.1
69.33572	7.9
69.33987	1.9
71.01241	1.7
78.95778	100.0
82.03596	1.0
87.00757	1.7
96.95885	6.9
96.96840	4.8
97.06509	1.0
98.19688	1.2
98.95471	5.8
98.96299	1.3
99.92467	11.0
115.91960	36.8
116.91985	2.1
116.92737	30.8
117.92802	1.9
120.89800	1.1
120.96829	2.5
121.29722	1.1
123.48665	1.0
133.88618	1.1
138.97887	1.3
142.94246	1.0
150.97913	3.1
152.99495	20.7
155.95152	1.7
164.90341	2.0
171.00586	11.2
172.95387	8.2
178.88335	3.0
179.89148	35.4
180.89964	26.0
181.90701	4.2
189.91188	1.1
194.87837	1.7
195.00623	1.3
196.89420	49.2
197.89494	2.7
204.89923	2.2
205.90695	4.3
206.91489	3.1
208.89418	2.1
221.90192	2.6
234.91008	2.7
235.91805	8.3
236.92578	25.2
237.92836	2.0
242.07835	1.6
252.92101	3.4
253.92523	1.4
270.93005	2.0
276.95770	2.6
278.93698	3.8
281.24857	56.7
282.25220	26.9
292.95181	2.5
309.95395	1.8
310.96274	7.2
473.14224	5.9
490.14139	6.3
506.32440	10.5
507.32861	9.6
533.16266	3.9
545.16296	5.5
546.16168	1.6
563.16840	5.8
581.18219	51.0
582.18573	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37903	1.0
51.36973	0.9
55.01764	1.7
57.03325	2.3
58.00455	1.5
59.01252	76.5
61.98692	3.6
67.01748	1.2
68.99690	1.1
69.03333	1.8
69.34335	9.9
71.01257	30.7
71.01660	1.7
72.01600	1.0
72.99176	3.8
73.02814	9.8
75.00732	1.2
78.95764	2.6
83.01260	7.3
85.02826	17.8
85.99930	1.4
87.00769	4.8
88.54124	1.1
89.02326	7.0
93.03337	6.6
95.01256	5.2
95.04878	1.3
96.95895	2.0
97.02837	2.2
99.00743	3.9
101.02322	20.9
102.02665	1.3
105.03387	1.1
108.02049	2.5
109.02827	3.6
111.00749	1.4
112.01566	1.5
113.02350	10.1
116.92754	1.9
119.03410	1.8
121.02841	10.4
122.03638	8.9
123.04397	4.0
124.01546	3.7
125.02313	3.6
132.02043	2.8
133.02850	16.0
134.03616	3.4
135.04445	2.3
136.01482	1.6
137.02344	3.8
145.02803	1.2
147.04414	2.2
149.02356	66.5
149.05931	6.9
150.03140	83.4
151.03941	12.3
152.01109	2.5
153.01756	1.5
161.04407	3.2
162.03087	1.1
163.03879	1.5
164.04721	14.3
165.05493	72.7
166.06223	8.0
167.03499	1.4
168.00592	2.9
173.04483	1.8
175.03879	1.4
177.05524	1.6
179.03477	1.4
179.05562	1.4
179.06999	1.1
180.04176	5.4
181.08595	10.1
185.51218	1.1
191.05548	7.8
195.06569	29.5
196.06956	1.0
209.08182	1.8
223.06068	1.6
234.92036	0.9
257.04556	1.6
257.08109	5.8
269.14023	1.9
270.09021	1.9
281.09378	1.7
314.11606	8.4
315.12332	2.7
325.12903	18.6
326.12997	1.8
329.13940	20.9
330.14252	2.7
343.02133	1.1
343.14063	9.1
385.15277	1.1
419.13754	5.8
458.16180	1.3
473.18161	100.0
474.18585	12.9
491.19254	53.6
491.26550	1.2
492.19873	5.2
521.20264	3.4
533.20306	32.9
534.20404	4.5
539.21246	4.5
540.21368	1.3
553.04846	1.0
559.09167	1.1
581.15234	2.9
581.22675	10.0
582.22986	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49700	3.0
53.41921	3.0
53.98411	3.4
55.01754	4.7
57.03337	3.9
57.40115	3.2
58.00453	4.7
59.01252	60.0
65.00201	11.3
71.01261	36.2
72.99173	3.9
73.02829	10.3
75.00740	4.5
83.01288	7.7
85.02818	16.9
86.70493	3.0
87.00774	3.6
89.02312	15.5
93.03354	11.2
95.01269	5.9
98.19726	4.9
99.00746	4.7
101.02323	16.8
109.02831	7.5
109.79484	3.3
109.99995	4.4
111.00769	7.7
113.02357	12.3
115.01662	3.3
117.03368	4.5
119.03394	5.1
119.10628	3.8
121.02848	3.3
123.00749	6.7
123.04385	5.4
124.98707	6.8
125.02370	8.0
127.00264	8.5
133.02846	6.3
135.04404	7.7
136.98692	3.2
137.02371	8.7
139.00253	18.0
145.02832	5.6
149.02330	9.0
151.00279	11.6
152.00986	3.8
153.01836	4.0
154.99771	100.0
160.56404	3.1
161.02321	5.4
161.04495	6.5
162.05562	3.0
163.00273	4.0
164.01074	3.8
164.98157	6.6
165.01906	5.8
165.98958	8.2
166.99838	15.9
168.00529	3.8
171.04381	4.0
173.04510	7.3
177.01923	7.0
178.99805	11.6
180.97723	15.0
181.01361	9.0
183.99956	5.1
187.03992	5.9
191.05562	12.9
194.99280	14.3
201.01921	3.8
203.03473	3.5
209.01012	4.4
215.03436	5.0
217.10799	12.8
229.05191	3.5
229.72398	3.7
231.02893	4.6
233.04521	4.1
255.03098	3.9
258.01599	4.1
259.02463	8.4
271.02530	12.1
273.15085	5.9
277.09711	3.4
285.04193	6.9
287.01996	20.6
287.05267	4.3
288.02710	5.3
289.03644	5.5
295.10873	7.6
315.01471	46.8
315.04892	6.3
316.01822	6.5
321.08896	10.7
332.01740	15.8
333.02441	8.5
339.09753	7.6
362.35837	3.1
363.18033	4.2
389.16022	4.1
417.06509	7.8
488.14487	4.9
495.07614	7.0
519.07538	4.0
521.33209	39.3
537.08716	23.9
537.29468	17.4
538.09406	4.5
539.34418	8.5
550.14362	14.2
580.30737	12.9
581.30548	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07938	0.3
52.43373	0.3
59.01252	15.8
61.98713	2.1
70.33537	1.4
78.95778	17.8
91.07791	0.4
92.06680	0.5
96.95895	6.7
96.96838	0.8
98.43811	0.3
98.95544	0.4
99.92467	1.6
105.99535	0.3
115.91963	4.4
116.92757	3.3
150.98001	0.4
152.99486	4.5
155.76917	0.4
164.90451	0.4
168.04208	1.3
171.00552	1.3
172.95445	0.5
179.89151	3.6
180.89967	2.9
181.90646	0.4
196.89455	6.0
205.90813	0.8
206.91553	0.5
224.06947	1.1
235.91711	0.8
236.92671	2.8
242.07947	2.2
252.92200	0.6
255.23416	0.6
266.67514	0.4
276.95663	0.4
278.93658	0.8
281.24860	100.0
282.25211	9.0
310.96210	0.8
473.14166	0.5
490.14334	0.8
506.32516	21.6
507.32776	3.6
545.16248	0.8
563.17303	0.4
581.18250	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.3
61.98709	6.7
61.98986	1.3
71.01245	1.7
78.74567	0.9
78.95775	24.0
89.02328	1.3
96.95879	9.1
98.19801	1.4
113.23641	0.8
115.91953	1.0
116.92751	1.1
128.31644	0.8
152.99492	4.4
168.04208	3.6
179.89175	1.2
199.15764	0.9
206.87358	0.8
224.06898	7.3
231.42488	1.0
242.08035	1.8
255.23177	1.1
256.23816	1.0
281.24847	100.0
282.25183	8.6
341.10770	1.1
506.32486	55.8
507.32907	7.4
581.17841	1.8
581.30206	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48635	1.0
52.73030	1.1
54.52465	1.0
59.01259	7.6
63.02273	1.5
65.00198	5.0
68.99712	2.4
71.01254	5.1
73.02831	1.1
75.00739	1.2
83.01255	2.7
85.02821	1.7
85.04313	1.2
87.00742	1.8
89.02295	1.3
93.03304	1.8
95.01261	3.3
96.99213	1.6
97.02895	1.2
98.19796	3.8
99.00759	1.2
101.02332	3.5
106.00500	3.7
107.01273	5.1
109.02852	8.6
109.99999	3.1
111.00819	5.3
113.02384	1.3
121.02843	2.0
123.00782	5.3
124.01579	1.7
124.98701	1.6
125.02325	3.1
133.02846	1.5
135.00826	1.6
136.98691	3.3
137.02377	3.1
139.00258	8.7
143.04883	1.5
145.02750	1.1
147.04489	1.7
148.01561	2.5
148.98633	1.6
149.02361	3.6
149.99527	5.0
151.00279	16.4
151.03947	1.4
152.01048	4.9
153.01868	8.0
153.98927	2.7
154.99817	8.7
156.83473	1.0
159.04442	2.7
161.02359	3.2
163.00275	3.8
163.03911	2.3
164.98167	3.5
165.01907	2.5
165.98953	3.3
166.99742	3.6
168.00536	3.4
169.01321	6.0
171.04449	3.3
173.02322	1.3
173.04446	1.6
175.03928	3.6
177.01855	3.7
177.99030	5.6
178.99780	30.9
179.03400	1.7
180.00377	2.5
181.01428	1.6
181.98494	4.8
187.03957	7.9
189.01884	3.3
190.02513	1.5
190.06310	2.1
190.99866	1.3
191.03497	1.1
191.05515	2.5
192.00594	1.7
193.01352	2.7
194.99292	4.4
199.03957	3.6
199.75609	1.3
201.01942	1.8
203.03459	4.2
204.97644	2.9
205.08711	3.0
207.02951	1.7
209.00967	2.7
213.01787	1.5
214.02583	1.7
215.03340	6.5
217.01321	1.6
219.02823	2.1
222.98676	2.6
227.03328	2.0
229.01376	2.4
231.02925	5.3
232.03636	2.4
233.04504	5.6
242.02159	2.1
243.02946	8.4
245.00925	2.3
245.04504	3.0
247.02397	2.3
257.01022	1.6
259.02417	7.1
261.04007	3.6
271.02457	14.9
272.02664	1.3
286.01266	2.4
287.01990	36.8
288.02576	9.7
289.03534	5.1
297.00421	3.4
301.03464	2.3
303.01379	2.0
314.00574	2.4
315.01453	100.0
316.01816	10.4
317.02994	3.1
332.01703	20.5
333.02478	8.3
357.01807	1.5
389.16034	13.3
397.07678	3.0
401.07083	3.6
402.08035	1.3
413.06329	1.6
465.10297	1.5
493.09247	2.6
495.07803	3.8
519.07855	3.6
537.08850	34.7
538.09351	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.0
59.01253	100.0
60.01600	3.2
67.01767	3.0
69.24136	14.7
69.24555	13.5
71.01255	36.4
72.99174	7.2
73.02816	14.6
75.00740	3.0
83.01266	8.3
83.04942	5.2
85.02837	15.4
87.00760	7.0
87.04380	2.4
89.02322	15.1
93.03332	9.2
96.41991	2.3
97.02824	3.9
99.00756	3.9
99.04387	3.6
101.02338	19.8
102.12257	2.3
108.02065	3.8
109.02854	20.1
113.02347	16.9
115.48698	2.5
119.03407	5.0
120.04296	2.4
122.03630	6.7
123.04440	6.6
125.02321	3.3
135.04420	12.3
137.02335	7.5
141.57454	2.5
151.03951	5.3
152.01044	3.7
152.46513	2.6
153.01834	8.6
158.96490	2.5
161.02347	3.8
161.04506	5.7
161.07056	2.3
173.04477	18.2
177.01749	2.8
179.03445	3.1
189.09196	3.7
191.05537	16.2
309.08499	2.8
331.24933	8.5
357.26602	3.2
375.10959	3.5
375.27499	3.4
395.13989	2.3
417.17749	9.3
447.25952	10.8
475.29135	32.9
476.29297	5.1
493.30658	12.9
519.31708	14.9
535.21729	3.1
537.32599	8.2
579.20898	12.1
579.31653	29.6
580.31134	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
58.00461	1.3
59.01250	28.9
60.01576	0.9
71.01254	14.6
71.02376	6.9
72.00768	1.1
72.99173	2.0
73.02818	4.2
74.00703	0.7
74.02340	2.7
75.00723	0.8
78.95764	0.9
82.06497	1.5
83.01246	2.3
83.04901	1.2
85.02827	7.2
85.03909	1.8
87.00754	1.8
89.02316	9.5
91.05422	1.3
93.03333	9.2
95.01240	1.4
96.95882	0.7
98.01089	1.1
99.00735	0.8
101.02324	7.9
106.04137	2.1
107.04945	1.6
108.02046	1.9
109.02825	2.4
110.06015	2.6
111.01899	9.7
111.04420	0.9
112.92728	0.7
113.02322	7.8
116.04963	2.1
118.06515	1.0
119.03405	4.3
119.04897	8.2
121.02862	1.8
123.04386	1.6
127.08683	3.8
132.04385	1.0
133.05202	2.1
134.06020	17.2
135.04416	3.0
135.06339	1.1
136.07597	8.0
137.02364	4.5
143.03389	1.6
146.06027	10.2
149.07097	1.7
151.00258	3.1
151.03975	1.0
152.01068	1.0
153.01848	1.1
153.06589	2.4
157.13370	16.2
160.07689	1.1
161.02345	0.9
161.04440	1.8
162.05559	1.1
163.03918	7.5
163.08577	0.8
164.07088	1.7
166.02625	10.4
173.04482	4.8
177.01793	0.9
177.32387	0.8
179.03471	1.0
179.05531	0.9
179.07076	0.9
180.06586	26.1
181.04999	11.6
181.06735	1.8
189.06647	4.1
191.05589	7.8
191.08199	5.8
192.05775	1.2
199.13416	1.1
213.13933	3.2
215.08191	1.0
218.06932	1.6
221.09267	2.5
225.11314	1.1
225.19661	3.3
229.63361	0.8
240.10280	1.1
257.13034	1.6
264.10248	1.4
266.11862	13.8
267.12082	1.3
268.20230	4.8
281.12961	0.8
283.14594	2.8
299.09784	0.8
327.13467	15.1
328.13882	1.4
341.11224	0.9
354.25534	3.3
361.00381	0.9
375.12802	0.8
375.27536	1.2
378.14542	3.7
387.10767	2.4
387.15045	1.3
394.21387	2.2
398.24597	8.0
399.24368	1.2
417.15515	13.9
417.24533	1.4
418.15875	2.7
421.19974	1.8
438.20297	4.2
463.14032	0.9
465.19034	1.5
485.29462	0.8
519.31763	6.3
520.32239	1.2
535.32874	2.7
537.32721	2.8
579.31830	100.0
580.32141	19.2
585.55408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33772	0.6
59.01250	5.0
60.35201	0.7
69.33401	5.2
69.33817	1.6
71.01266	3.5
73.02831	1.0
79.25731	0.6
82.95191	0.6
85.02839	2.0
89.02279	0.9
91.80239	0.7
93.03393	1.0
95.01282	0.9
96.31328	0.8
98.20565	1.3
101.02341	1.7
108.02036	0.6
109.02828	3.7
113.02296	1.2
121.02829	1.5
123.00761	3.2
123.04452	1.1
125.02322	1.8
135.04405	0.8
137.01382	1.2
137.02350	15.0
139.00279	0.9
149.02315	1.6
151.00281	28.0
151.03917	2.5
152.00987	2.5
152.04695	3.6
154.02718	0.8
159.04443	0.9
161.02322	0.9
161.04471	0.7
163.03981	0.8
165.01813	1.2
165.51665	0.7
165.75940	0.7
166.02641	78.9
167.03204	4.8
175.03979	1.8
177.01883	4.2
179.03413	0.8
181.04991	96.1
182.05367	4.3
184.03709	0.8
190.02855	0.8
190.06264	1.5
191.03612	0.9
191.05573	2.6
192.04208	1.5
193.04988	1.7
195.02925	1.0
205.04979	1.5
205.08606	1.4
207.06578	2.4
209.04570	0.9
237.08591	0.7
240.34587	0.7
266.27271	0.8
359.11331	3.1
371.15009	0.8
387.10843	20.0
387.15591	1.0
388.11243	2.9
393.75900	0.7
402.13037	7.3
403.13626	1.4
417.15555	100.0
418.15955	12.2
445.97507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65008	0.6
59.01250	100.0
60.01581	1.3
65.03667	0.5
65.12609	0.6
65.61696	0.6
65.89872	0.6
69.32957	6.0
71.01269	3.8
72.32180	0.5
73.02811	1.3
75.00768	0.6
76.04248	0.6
83.80737	0.6
85.02827	1.2
87.00764	0.7
89.02336	1.9
93.03323	1.1
96.95892	7.7
97.02779	0.5
101.02332	1.5
108.02101	1.2
109.02896	1.2
111.00730	1.3
113.02340	1.3
114.93317	3.3
115.00284	0.6
121.02848	1.5
123.04443	0.9
134.03679	0.6
135.04413	1.2
137.02399	0.9
142.93127	0.6
147.04446	0.6
149.02405	1.0
149.04483	0.8
151.00362	1.1
153.01927	0.9
163.03957	0.7
166.02621	0.7
173.04449	1.0
175.03946	1.6
190.06348	0.8
191.05551	3.2
197.83908	0.6
222.05388	1.0
255.03067	1.2
269.08307	1.9
279.06616	1.6
281.08237	2.3
284.03458	1.5
285.04056	1.9
293.08298	0.7
294.08932	1.5
296.10544	1.1
297.07684	6.4
308.10736	1.3
309.07770	10.8
309.11353	2.4
310.08292	1.2
312.10025	8.0
313.10391	1.1
323.09363	2.2
324.09897	6.8
325.10379	0.7
327.12369	31.7
328.12552	4.1
339.12369	29.2
340.12604	3.6
463.08838	0.9
519.24628	1.5
579.13751	1.6
579.30505	0.7
586.24573	0.6
604.49664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91468	0.4
55.01738	1.2
57.03328	2.0
58.00468	0.8
59.01251	38.0
60.01573	1.2
62.12508	0.4
63.99250	0.4
65.00205	0.7
65.03835	4.0
67.01771	2.3
68.75764	0.4
68.99696	0.5
69.03315	1.0
70.53394	1.4
71.01254	15.2
71.04889	0.7
72.01592	0.4
72.99181	1.1
73.02814	4.5
75.00732	0.4
78.95766	0.4
79.60640	0.4
80.73708	0.4
81.03327	0.6
83.01253	2.9
83.04900	1.2
85.02817	6.5
87.00732	2.5
89.02320	6.4
91.01767	19.0
92.02115	0.6
93.03338	3.0
95.01260	1.3
97.02814	1.2
97.06479	0.5
99.00762	1.6
99.04398	0.8
101.02321	8.3
102.02642	0.4
107.04929	0.7
108.02065	1.5
109.02838	31.0
110.03176	0.9
111.00780	0.7
111.04411	0.6
113.02328	5.8
114.02682	0.6
119.03377	2.1
119.04929	0.8
121.02837	1.6
122.03621	1.5
123.00748	0.6
123.04431	2.6
125.02332	1.9
128.03395	0.6
131.03409	0.9
133.02850	1.0
133.05013	0.7
135.00780	46.6
135.04384	4.3
136.01125	1.0
137.02348	2.2
139.03984	0.6
141.09203	0.4
143.03383	1.0
145.04918	0.6
149.02342	0.7
150.44652	0.4
151.00256	0.6
152.01093	1.5
153.01840	100.0
154.02168	3.4
154.83081	0.4
157.06436	0.4
157.12239	0.4
161.02332	0.9
161.04465	2.4
161.05980	1.2
161.09653	1.2
163.03917	1.3
165.05489	1.6
170.22487	0.4
173.04498	3.1
174.04930	0.5
177.01868	1.6
179.03394	0.9
179.05600	0.8
179.07091	1.3
181.05132	0.5
187.11182	1.0
189.02014	0.4
189.09116	0.9
191.05559	5.5
195.02951	0.5
205.08742	0.5
226.07513	0.4
243.06517	1.0
243.12202	0.4
252.43053	0.5
253.08862	0.5
267.11365	0.4
275.07742	1.3
281.08084	1.0
293.08459	0.8
297.07898	0.5
301.10779	0.7
306.07803	0.7
309.07718	1.7
309.11124	0.4
312.10034	0.8
324.09879	1.0
327.12402	3.3
335.10025	0.6
339.12308	5.1
357.26355	0.9
374.26312	0.7
375.27417	1.6
411.09326	12.5
412.09628	1.4
417.16077	0.5
429.10391	4.5
430.10959	0.7
443.11893	0.5
447.25998	4.8
475.29239	2.0
493.30127	1.1
518.30481	2.5
519.31757	4.0
537.32886	2.3
552.62823	0.5
578.32648	2.8
579.20953	3.4
579.32526	12.5
580.22241	0.7
580.31403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87304	0.3
59.01252	21.6
61.98698	0.3
62.96292	0.4
69.48308	2.1
69.48732	0.8
76.98743	0.3
78.95776	20.1
80.96387	1.4
89.74343	0.3
94.97950	0.4
131.68135	0.3
152.99490	3.6
168.04228	3.0
224.06882	8.4
242.07971	2.1
261.22266	0.4
265.14975	0.3
279.23288	100.0
280.23630	10.0
408.27750	0.3
415.22635	0.4
476.07971	0.3
504.30978	54.4
505.31277	8.4
579.28461	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29086	0.3
50.98544	0.2
59.01252	17.3
61.71155	0.2
70.92252	0.8
71.01265	0.4
78.95780	6.0
78.98431	0.4
79.95609	0.8
80.96392	5.1
82.96003	0.4
94.97957	1.1
122.97460	0.3
148.99004	0.3
152.98480	0.3
152.99533	1.5
164.98575	0.6
168.04251	1.5
176.14830	0.3
189.61714	0.3
224.06894	1.1
225.00752	0.8
242.07996	2.6
261.22211	0.4
279.23288	100.0
280.23636	10.2
307.19342	0.3
437.10596	0.3
484.60715	0.3
504.30975	23.1
505.31348	3.5
578.27155	6.4
579.26971	1.5
579.82410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.6
61.98703	100.0
65.17669	0.5
71.01250	1.1
71.50854	1.0
78.95757	1.3
89.02344	1.1
96.95888	5.6
106.46630	0.5
107.65361	0.5
113.02361	0.6
180.99649	0.5
253.09239	0.8
255.09816	0.9
255.23299	1.9
279.23340	5.6
280.23599	9.2
281.23904	5.5
282.24042	2.7
341.11142	0.9
546.46045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69240	0.7
57.03336	0.8
59.01250	18.9
63.87360	0.6
69.03287	0.8
69.37802	2.5
69.38223	5.0
70.56544	0.7
71.01257	4.9
72.00777	2.4
72.99170	0.6
73.02840	2.1
74.02348	100.0
75.04623	0.7
76.47282	0.7
77.91404	0.8
83.01256	0.9
85.02814	4.1
87.00757	1.0
89.02322	1.4
93.03351	1.4
97.06460	0.8
98.19834	1.5
99.00746	1.0
101.02335	4.6
109.02843	2.6
111.00761	0.8
113.02325	2.0
121.02866	1.2
125.02362	0.7
135.04414	6.2
136.04781	1.7
137.02357	1.1
139.30196	0.7
140.31300	0.7
147.04507	0.8
150.26373	0.7
152.01100	1.1
173.04538	0.9
186.88210	0.8
191.05565	2.8
198.09686	0.7
225.14798	0.8
253.09183	1.3
254.09572	0.8
288.73959	0.9
297.24210	0.8
341.23309	2.9
342.23682	6.1
373.16748	1.3
374.17072	2.6
474.30838	1.0
492.31952	2.8
495.43872	0.9
534.32849	67.3
535.33032	9.7
578.32813	2.6
579.34076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.7
61.74357	1.1
62.21113	1.1
63.23533	1.2
64.23055	1.0
64.42470	1.0
80.22492	1.1
87.88046	1.2
98.20560	2.7
115.00375	1.2
119.73058	1.2
144.64580	1.0
188.86497	1.1
229.68761	1.3
277.21719	100.0
278.22064	10.9
564.57159	1.3
577.42358	35.3
578.42566	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38688	0.9
59.01254	27.4
61.98689	1.6
65.03837	2.5
67.01765	11.6
69.52396	7.9
70.72044	0.9
71.01256	8.8
72.99165	1.2
73.02833	5.0
79.05373	1.1
83.04913	1.7
85.02834	2.4
87.00761	1.9
87.07339	1.1
89.02317	3.2
91.01772	4.4
91.05415	8.3
93.03330	5.8
95.01256	1.5
96.95914	1.2
99.04372	1.4
101.02322	6.8
104.68508	1.0
107.04935	2.5
108.02045	7.4
109.02843	28.7
109.03591	1.4
110.02326	1.2
110.03124	1.6
113.02339	2.7
117.03356	1.2
119.04906	1.3
121.02834	5.2
123.00763	2.7
123.04394	5.8
124.01552	3.7
131.04942	1.3
133.02829	1.2
133.06494	1.6
135.00826	6.6
135.04424	81.5
136.04750	4.6
136.68427	0.9
137.02383	8.2
147.04337	1.5
147.59056	1.0
149.02339	5.9
149.05954	2.4
149.15170	1.0
150.03175	6.6
151.03888	3.8
152.01117	6.5
153.01889	1.1
153.05489	20.7
154.04987	3.1
159.04369	2.9
161.02402	5.9
161.04402	1.2
161.06029	1.5
163.03856	1.1
165.05515	2.2
170.32152	1.0
171.10139	2.1
173.04451	3.5
173.05991	2.9
175.03929	2.5
175.07524	4.9
177.01810	1.1
177.05478	8.4
179.03448	2.8
191.05496	9.0
195.06577	3.3
196.06111	17.3
197.04482	1.8
197.06259	1.0
199.07581	1.2
203.07074	2.5
208.05994	2.2
211.03906	3.7
215.07036	1.3
222.07622	1.8
225.05498	4.2
227.07100	25.1
228.00569	1.0
228.07452	1.8
241.01492	0.9
243.06607	42.7
248.05617	7.0
253.09097	4.1
260.09302	3.0
262.07184	3.5
262.10867	2.8
271.09760	1.9
297.07449	1.5
298.07251	2.2
302.10437	1.6
312.08859	13.1
313.10828	1.2
314.10355	100.0
315.10770	10.0
324.93896	1.0
341.23453	6.9
342.23776	6.1
356.15594	1.2
374.16565	1.7
381.13287	1.5
406.13022	5.0
407.13306	1.3
424.14035	62.7
425.14252	9.8
468.16522	2.9
514.06732	1.1
519.14709	1.6
534.17017	7.6
535.17792	5.0
554.23535	1.2
560.18933	4.9
578.20453	18.2
578.32611	3.8
579.20294	4.1
579.33643	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92184	1.6
59.01249	19.7
61.56937	1.4
70.15150	1.5
71.01263	2.8
71.58697	3.3
78.95760	1.5
85.36027	1.4
89.02293	2.3
101.02348	3.3
103.75470	1.4
113.02319	1.7
116.92753	3.2
121.77508	1.4
155.01421	1.5
235.08080	2.4
253.09355	15.1
281.24878	100.0
282.25266	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03328	1.5
58.00467	2.2
59.01255	100.0
60.01591	1.0
69.03326	0.9
69.40949	0.3
70.05602	1.5
71.01258	43.5
72.01602	0.4
72.99191	3.2
73.02827	10.2
75.00779	0.7
81.03333	0.8
83.01269	3.2
85.02825	10.1
87.00765	3.8
89.02324	33.7
90.02682	1.2
93.03368	1.3
95.01269	3.7
96.95893	2.2
97.02834	0.5
99.00769	2.4
101.02328	24.7
102.02702	0.5
108.02060	0.4
109.02863	0.4
111.00779	0.7
111.04463	0.5
113.02337	28.8
114.02707	0.7
115.00301	0.7
115.03873	0.4
119.03396	15.4
120.20145	0.4
121.02924	0.6
125.02374	1.3
126.01441	0.3
131.03432	3.2
133.02841	1.1
135.04387	2.6
135.05363	0.4
137.02383	0.9
143.02322	0.6
143.03403	4.4
149.04463	4.1
155.03296	0.5
161.02440	2.3
161.04475	7.6
165.04024	1.1
173.04463	2.4
179.03502	1.2
179.05603	6.9
179.06990	0.6
181.58171	0.3
191.05562	7.9
192.05949	0.8
205.12294	3.0
208.98601	0.4
210.71956	0.4
223.06255	0.4
249.11441	0.6
283.02762	0.4
300.83191	0.3
317.10336	0.5
353.08826	1.0
355.21518	0.8
373.12421	0.4
373.22055	0.4
385.09659	0.9
419.97504	0.4
429.17892	0.7
449.45187	0.4
517.26648	22.7
518.27100	4.2
533.09045	0.5
535.27649	16.6
536.27991	2.5
537.41803	0.4
577.21204	1.1
577.29114	1.3
602.75415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90766	0.6
59.01245	0.7
63.96115	1.6
69.03312	1.0
69.45880	4.1
71.01250	7.7
73.02815	2.2
73.26414	0.5
74.77779	0.5
78.98470	6.0
79.95607	11.7
80.96391	70.6
81.03336	0.9
85.02818	2.6
87.00743	2.7
92.19172	0.5
94.97957	15.9
96.95882	1.0
97.02820	1.9
99.00747	0.7
101.02320	3.5
106.97961	3.4
122.97459	6.7
125.02320	3.2
127.03901	0.6
134.97479	4.7
136.99045	1.7
148.99040	5.1
152.98534	7.1
153.47197	0.5
155.34987	0.5
164.98541	11.2
165.98795	0.5
182.99631	2.4
183.77086	0.5
188.98596	0.6
206.99687	2.7
225.00711	15.4
240.55196	0.5
243.01711	2.2
277.21686	2.2
299.04376	2.6
305.78787	0.5
324.51294	0.6
338.44699	0.6
379.48395	0.6
438.00150	0.5
448.46616	0.5
533.86603	0.5
577.26849	100.0
578.27173	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09816	0.4
59.01250	7.8
61.98703	39.9
62.41720	0.4
62.98417	0.6
63.96097	0.5
69.03336	0.6
70.63647	0.7
70.64019	1.2
71.01253	8.4
73.02818	1.9
78.95780	2.4
78.98455	6.5
79.95608	12.7
80.96390	79.9
81.03338	0.8
85.02817	3.9
87.00749	3.1
87.42398	0.4
94.97963	18.1
94.98577	1.0
96.95877	1.1
97.02845	1.8
98.19833	0.5
99.00753	0.7
101.02321	2.9
106.97970	3.8
121.02831	0.7
122.97464	3.7
125.02331	3.6
127.03944	0.8
134.97462	5.3
136.99049	1.6
148.99068	6.4
149.00162	0.9
152.98524	7.1
152.99637	0.7
153.52036	0.4
164.98547	13.3
166.13084	0.6
167.00198	0.7
182.51448	0.4
193.04994	0.5
206.99620	2.2
224.06812	0.5
225.00700	14.2
242.07983	0.7
277.21863	2.4
278.22061	1.9
279.23303	28.7
299.04593	2.8
330.36627	0.5
504.31052	7.7
551.93304	0.6
577.26849	100.0
578.27148	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
57.93477	1.3
58.00457	1.2
59.01252	100.0
60.01593	1.4
69.03332	2.1
71.01254	44.3
71.58421	1.8
71.58791	1.7
72.99192	3.4
73.02815	13.5
75.00742	2.4
83.01259	3.8
85.02827	14.5
85.49738	1.2
87.00773	4.6
88.03008	1.1
89.02319	46.0
93.03338	5.0
95.01277	3.9
96.95908	5.6
97.02802	1.3
99.00765	9.3
101.02316	28.4
101.02911	1.9
103.74444	1.2
113.02332	24.9
114.02666	1.5
119.03419	11.0
124.90733	1.3
125.02346	3.5
127.10114	1.3
131.03394	4.3
132.96259	1.2
135.04404	5.7
137.02351	1.5
143.03415	4.5
148.84837	1.1
149.04474	12.5
161.02373	1.7
161.04469	5.3
165.03922	4.0
173.04510	6.0
179.03459	3.3
179.05527	3.5
180.03870	1.5
191.05547	16.2
192.05931	2.0
205.12270	14.6
222.57098	1.2
249.11339	1.9
251.07765	2.2
293.08859	2.8
429.17957	2.0
475.22119	1.8
517.27155	16.6
518.26898	1.6
535.27582	13.4
577.21570	2.7
577.29578	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83700	0.3
56.92509	0.3
57.03343	0.4
58.00475	0.5
59.01252	33.5
60.01615	0.4
60.99186	0.6
63.12496	0.3
65.03833	3.1
67.01757	0.8
69.30283	0.3
69.53683	1.1
69.54108	1.4
71.01253	10.3
72.01586	0.3
72.57363	0.3
72.99180	0.7
73.02821	15.1
75.00745	0.4
83.01261	3.3
83.47884	0.3
85.02821	2.8
87.00772	1.0
88.98685	4.1
89.02312	2.0
91.05410	13.9
92.05770	0.5
93.03338	4.9
95.01254	0.4
97.02870	0.4
101.02325	9.2
107.04935	0.4
108.02055	0.5
109.02840	12.8
111.04442	0.3
113.02344	1.7
119.04969	0.7
121.02849	7.0
125.02365	0.4
131.03395	0.5
135.04416	100.0
136.04758	4.3
137.05992	0.6
147.04434	2.6
148.05226	2.4
149.05989	0.6
159.04440	0.7
161.04442	0.9
163.07542	4.7
171.10191	1.4
173.04491	1.5
175.03952	0.5
189.09076	0.3
191.05545	11.0
192.05882	0.4
194.75813	0.3
200.08226	0.4
205.12431	0.3
207.10257	1.0
207.94313	0.3
215.10730	0.9
218.09514	0.8
233.11784	7.2
234.12196	0.6
253.09358	0.8
283.13455	0.5
341.23206	2.1
349.69113	0.3
355.15506	11.7
356.15836	1.5
373.16519	0.4
385.16602	0.7
429.17618	1.0
455.19217	9.4
456.19574	1.0
500.82135	0.3
517.21082	0.7
518.20911	0.4
535.21881	2.3
537.16638	0.3
577.22931	37.5
577.30914	1.5
578.23242	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62575	0.2
57.03317	0.3
58.00482	0.2
59.01252	5.2
65.03831	2.0
67.01751	0.6
69.03329	0.2
71.01257	2.2
71.35347	0.3
72.99175	0.2
73.02821	0.9
75.00747	0.4
78.95768	0.5
83.01262	0.5
85.02836	1.0
87.00782	0.4
87.04396	0.7
89.02334	0.8
91.05408	12.5
92.05751	0.5
93.03336	3.1
95.01255	0.2
96.95895	2.5
96.96859	0.5
97.02868	0.2
98.02354	0.5
98.95465	2.3
98.96286	0.3
99.00751	0.7
101.02323	1.5
107.04922	0.2
108.02059	0.3
109.02837	16.6
109.06470	0.2
110.03184	0.6
111.00793	0.3
111.04384	0.2
113.02322	0.7
119.04931	0.4
121.02837	7.2
122.03635	0.6
123.04427	0.3
125.02359	0.3
133.02878	0.2
134.03616	0.2
135.04413	100.0
136.04758	4.1
137.02377	0.5
137.06003	1.1
147.04395	1.8
148.04054	0.3
148.05208	5.2
149.02322	0.5
149.05791	0.3
151.03937	0.2
152.01031	0.2
156.28169	0.2
159.04401	1.5
161.02400	0.3
161.04462	0.3
161.05943	0.2
163.07561	9.2
164.07890	0.6
173.04469	0.6
177.01898	0.2
191.03647	0.3
191.05528	2.2
191.07143	0.3
199.13280	0.2
200.08328	0.2
210.07698	0.5
215.10725	0.7
225.11287	1.3
233.11768	2.7
242.02246	0.2
251.12854	15.5
252.13210	1.1
253.08934	0.2
270.01663	0.5
298.01089	0.3
311.22083	0.4
329.23157	0.2
339.10867	0.5
355.15576	0.3
355.24811	0.4
373.16534	55.1
374.16891	6.5
385.12881	0.2
467.88934	0.2
517.21613	0.3
517.30139	1.0
533.29608	2.5
533.37506	0.3
534.30109	0.3
535.22516	0.3
535.31110	0.5
577.15839	0.7
577.22778	7.6
577.32153	5.0
578.23071	1.6
578.32428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55857	0.3
59.01250	27.3
69.03340	0.3
71.01257	2.5
73.02807	0.3
78.95776	26.9
78.98446	1.5
79.95605	2.3
80.96390	17.2
83.04861	0.5
85.02814	0.7
87.00735	0.9
94.97964	5.5
96.95901	0.4
96.96819	0.5
97.02809	0.6
101.02321	0.9
106.97965	0.8
107.68420	0.3
122.97450	1.3
122.98315	0.4
125.02348	0.7
127.03859	0.4
134.97466	1.0
148.99036	1.5
152.98381	1.7
152.99564	2.8
164.98529	3.0
168.04221	3.5
182.99590	0.6
206.99635	0.5
216.84436	0.3
224.06891	10.7
225.00714	4.3
229.72273	0.4
233.22650	0.5
242.07970	3.3
243.01657	0.6
259.20612	0.6
275.20111	0.8
277.21713	100.0
278.22070	8.4
299.04614	0.5
386.95831	0.4
464.26794	0.3
502.29398	57.6
503.29681	9.1
577.26874	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	20.5
71.01244	0.4
71.29307	0.3
78.95778	8.0
81.56755	0.2
83.04865	0.2
87.46766	0.2
92.14899	0.2
113.88818	0.2
127.07498	0.2
128.24181	0.2
143.09447	0.2
152.99500	1.5
155.43246	0.2
164.78026	0.2
168.04207	1.5
171.00665	0.2
205.19583	0.2
212.03955	0.2
224.06841	1.1
233.22734	0.6
242.07964	3.1
259.20642	0.4
275.20270	0.3
277.21710	100.0
278.22076	10.2
278.24463	0.2
439.73532	0.2
502.29410	24.0
503.29691	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.1
57.54760	1.1
58.00464	1.3
59.01252	100.0
60.01582	1.6
65.03818	1.3
67.01764	3.5
69.03338	1.8
69.44465	4.9
69.44907	5.8
71.01252	23.9
71.14178	1.3
72.99173	2.0
73.02824	20.3
81.03341	1.4
83.01254	4.3
84.02030	3.5
85.02825	5.2
87.00739	3.1
89.02305	8.0
91.05422	3.6
93.03327	4.1
95.01255	1.6
96.95876	2.7
97.02814	2.2
97.06496	1.5
98.19765	1.7
99.00797	1.3
99.04398	2.0
101.02323	22.2
109.02826	13.0
113.02312	7.5
119.03370	2.2
121.02855	19.0
123.04404	4.0
124.01593	6.5
124.02377	1.4
131.03461	1.5
133.02855	1.4
134.52446	1.2
135.04413	47.9
136.04736	1.8
137.02353	12.4
139.03914	2.1
143.03413	1.7
149.02348	50.7
150.03166	6.4
150.05548	2.0
151.03882	1.3
153.05481	6.7
159.04359	2.2
161.02357	6.4
161.04469	3.8
161.06003	1.6
163.03917	3.0
165.01820	1.8
171.10164	10.5
173.04465	2.2
175.07556	4.2
177.01846	3.5
177.05458	2.9
179.03481	1.6
183.13786	2.0
190.02618	3.2
191.03499	8.8
191.05392	7.5
192.06573	2.3
193.08646	1.7
193.12247	1.4
196.06059	6.3
211.03871	3.0
211.13115	1.4
225.14886	3.3
227.07092	8.6
239.20480	1.4
248.05615	1.6
249.38817	1.3
253.09297	9.7
262.10977	1.2
296.06915	5.8
297.07544	1.4
311.09271	13.4
312.09015	5.6
314.10352	34.3
341.23297	39.6
342.23535	2.3
353.10275	5.2
355.14685	1.4
376.18716	1.7
406.12469	1.9
424.14035	20.1
491.15439	4.5
492.15961	1.7
533.16736	35.2
533.29224	1.6
534.17371	11.1
577.22363	5.9
577.32349	8.4
578.20081	4.1
578.32574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.3
60.01578	0.7
60.92695	0.4
61.01676	0.6
61.98705	100.0
69.27225	1.1
69.27641	3.4
69.90514	0.4
71.01262	1.0
85.02790	0.4
85.09830	0.5
89.02312	0.9
91.02773	0.4
101.02330	0.9
113.02379	0.4
237.08833	0.6
253.09338	1.7
254.09686	1.6
255.09801	2.6
256.10059	0.9
277.21716	10.3
278.22070	18.3
279.22375	10.8
280.22656	5.4
375.85211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63680	0.3
59.01245	3.4
60.01583	0.6
61.01670	0.4
61.98700	100.0
62.99165	0.3
67.01688	0.4
68.40503	0.3
69.39695	1.5
69.40121	1.7
71.01261	0.6
78.95779	0.4
89.02325	0.5
98.19769	0.7
101.02312	0.7
106.61317	0.4
109.56631	0.4
109.69434	0.3
160.78604	0.3
185.77524	0.4
223.45889	0.4
253.09256	1.2
254.09665	0.8
255.09775	1.6
277.21762	5.7
278.22052	9.7
279.22403	6.6
280.22586	3.0
304.56763	0.4
375.87476	0.5
489.06564	0.4
507.57538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09375	0.8
55.01760	1.9
57.03324	4.7
58.00460	2.4
59.01254	100.0
59.36837	0.8
65.41048	1.0
67.01738	1.1
69.03315	1.0
69.33780	6.6
71.01258	33.8
71.04873	0.9
72.99176	3.3
73.02824	17.9
73.22105	0.8
75.00743	0.9
76.76377	0.8
83.01280	4.5
83.04896	0.8
85.02830	15.7
85.06477	0.8
86.35638	0.8
87.00751	3.9
87.04370	0.9
88.98693	0.9
89.02328	9.0
93.03354	3.2
93.58113	0.8
95.01263	3.1
96.95885	1.1
97.02821	1.9
98.20620	1.5
99.00763	3.2
100.93615	0.8
101.02322	18.9
108.02073	2.2
109.02832	3.4
111.00729	1.2
111.04408	0.9
111.07993	1.1
113.02340	12.6
113.05972	1.3
119.03392	3.0
119.04939	2.3
121.02849	2.4
123.04425	2.5
123.08044	1.3
125.02329	2.9
125.06020	0.9
125.09612	2.2
127.11191	2.0
129.05408	0.9
135.04437	9.5
136.01558	1.5
137.02342	1.9
137.09589	2.1
140.32805	1.0
141.09106	9.1
147.04472	1.6
149.02353	2.4
150.03049	1.2
151.03908	1.4
152.01082	3.7
155.10672	2.4
161.02419	1.5
161.04543	1.8
161.05899	1.5
161.35989	0.8
163.03911	2.8
163.07622	1.4
164.04703	1.3
165.05528	1.8
167.03406	6.6
173.04475	3.4
177.01903	1.2
177.05559	0.9
185.08043	0.9
191.05519	8.0
191.07095	1.6
201.14893	2.0
219.10162	0.9
237.05830	1.0
265.18262	1.1
267.06384	1.0
309.24030	1.2
327.25320	3.0
353.23132	2.2
370.33252	0.9
371.14990	3.6
371.24390	12.1
372.24741	1.6
374.19388	1.1
383.14954	1.5
392.20410	1.8
471.29715	1.3
489.30911	1.1
497.28183	1.1
515.28607	68.1
516.28931	9.3
531.27936	2.0
533.29657	35.2
534.30005	5.2
557.29700	3.7
575.30719	90.1
576.22632	1.5
576.31152	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.1
55.64019	0.6
57.03333	4.8
58.00468	2.8
59.01254	100.0
60.01587	0.9
69.03335	2.0
71.01256	56.6
71.58706	1.0
72.01617	1.1
72.99187	3.8
73.02822	16.5
75.00758	1.5
81.03345	1.0
83.00783	0.3
83.01260	11.4
85.02824	24.7
87.00764	4.0
89.02322	26.9
93.03335	2.8
95.01268	4.5
95.25957	0.5
96.95893	1.9
97.02854	3.1
99.00761	6.5
99.04372	0.6
101.02326	56.9
102.02690	1.1
108.02056	1.2
109.02859	1.4
111.00785	1.3
111.08055	0.6
113.02334	27.7
114.02680	0.9
115.03921	0.6
118.97923	0.6
119.03402	10.0
119.04939	0.9
121.02882	1.0
123.04418	0.7
123.08051	0.7
125.02328	4.2
131.03334	0.8
134.03625	1.3
135.04434	3.2
137.02344	1.1
137.09616	1.0
143.03418	5.3
149.02359	0.6
149.04486	0.6
153.01846	0.7
159.02902	2.8
161.02428	0.6
161.04482	14.8
162.04802	0.5
165.05516	0.7
167.03508	0.5
173.04459	1.9
174.04887	0.6
175.07652	0.8
177.01811	0.6
178.02631	0.7
179.03311	0.9
179.05569	5.3
179.06963	1.0
190.06285	1.0
191.03673	1.3
191.05521	5.6
191.07028	1.0
193.05098	0.8
207.06587	0.7
209.08185	0.9
209.15436	3.0
237.07545	0.8
243.15950	0.6
300.02783	0.6
325.11060	0.6
353.19693	2.9
353.23373	1.0
371.20709	24.7
372.21033	1.8
412.13617	0.8
413.21689	9.0
414.22150	1.1
449.82391	0.6
515.24139	1.3
533.26025	74.2
534.26367	9.3
575.13782	0.8
575.27142	13.6
576.27582	1.5
585.00287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40455	0.4
53.23639	0.3
55.01760	1.0
57.03334	1.8
58.00460	2.2
59.01250	100.0
60.01580	1.0
69.03342	0.9
69.24319	3.5
71.01253	52.4
72.01591	0.7
72.99178	3.2
73.02819	14.5
75.00749	0.8
78.56309	0.3
78.95766	0.4
83.01256	6.2
83.24782	0.3
85.02822	12.1
87.00732	2.6
88.39700	0.3
89.02317	42.0
90.02634	0.9
93.03333	0.9
95.01260	5.2
96.95886	5.0
96.96847	0.6
97.02814	0.9
99.00734	1.5
101.02322	34.0
102.02641	0.5
109.02844	0.7
111.00723	0.8
113.02328	34.1
114.02638	0.7
115.03863	0.5
119.03391	17.1
123.04326	0.4
125.02284	1.2
131.03386	3.8
135.04337	1.1
143.03391	5.6
149.04446	3.0
152.01047	0.5
155.03313	0.5
161.04480	8.2
162.05424	0.4
164.04663	0.5
173.04391	1.1
177.05371	0.5
179.05544	7.5
191.05522	3.4
208.59865	0.4
214.97473	0.3
221.06519	0.7
235.90407	0.4
239.05284	0.4
241.92577	0.3
323.09448	0.4
347.98639	0.4
380.09683	0.6
495.05624	0.4
515.24774	3.4
533.26184	3.1
534.25171	0.4
575.13831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69599	3.3
59.01249	30.0
61.98686	6.2
62.67068	4.1
65.03851	18.9
67.01761	27.3
69.35487	3.7
70.64251	12.7
71.01264	10.0
78.95828	5.6
83.04876	3.7
85.02843	7.8
89.02264	4.2
91.05405	20.4
93.03324	10.3
96.95866	7.4
107.04905	5.6
109.02837	100.0
111.00761	10.9
121.02862	23.5
123.04321	5.4
130.01390	7.6
131.05011	4.1
133.02815	8.3
133.06476	6.8
135.04416	90.8
136.04846	5.0
137.02321	7.9
147.04480	4.6
151.03879	12.5
153.01846	57.1
159.04425	6.5
161.02357	8.9
161.04478	5.2
165.01843	4.2
167.01634	4.1
167.61198	3.6
173.04646	6.2
173.05946	20.5
175.07539	25.3
177.01949	4.8
177.05496	12.4
179.03362	11.8
186.88858	3.7
191.05519	15.0
199.07515	8.4
201.09149	13.6
203.07031	3.8
211.03909	7.5
217.05023	8.3
219.06631	3.9
225.05440	6.1
227.07039	8.7
245.08151	7.6
255.06444	5.2
271.06097	13.6
279.06522	5.6
292.15479	4.1
293.08185	6.9
301.08911	4.1
307.09680	10.7
319.09686	4.2
345.11279	5.6
351.08578	6.0
351.12451	6.9
355.11871	32.8
363.08530	3.9
381.09741	14.2
395.11282	10.8
403.15323	9.9
447.14404	19.3
465.15384	24.3
504.64832	4.5
557.18188	83.7
558.18512	20.6
575.19269	96.0
575.33240	6.1
576.19592	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69599	3.3
59.01249	30.0
61.98686	6.2
62.67068	4.1
65.03851	18.9
67.01761	27.3
69.35487	3.7
70.64251	12.7
71.01264	10.0
78.95828	5.6
83.04876	3.7
85.02843	7.8
89.02264	4.2
91.05405	20.4
93.03324	10.3
96.95866	7.4
107.04905	5.6
109.02837	100.0
111.00761	10.9
121.02862	23.5
123.04321	5.4
130.01390	7.6
131.05011	4.1
133.02815	8.3
133.06476	6.8
135.04416	90.8
136.04846	5.0
137.02321	7.9
147.04480	4.6
151.03879	12.5
153.01846	57.1
159.04425	6.5
161.02357	8.9
161.04478	5.2
165.01843	4.2
167.01634	4.1
167.61198	3.6
173.04646	6.2
173.05946	20.5
175.07539	25.3
177.01949	4.8
177.05496	12.4
179.03362	11.8
186.88858	3.7
191.05519	15.0
199.07515	8.4
201.09149	13.6
203.07031	3.8
211.03909	7.5
217.05023	8.3
219.06631	3.9
225.05440	6.1
227.07039	8.7
245.08151	7.6
255.06444	5.2
271.06097	13.6
279.06522	5.6
292.15479	4.1
293.08185	6.9
301.08911	4.1
307.09680	10.7
319.09686	4.2
345.11279	5.6
351.08578	6.0
351.12451	6.9
355.11871	32.8
363.08530	3.9
381.09741	14.2
395.11282	10.8
403.15323	9.9
447.14404	19.3
465.15384	24.3
504.64832	4.5
557.18188	83.7
558.18512	20.6
575.19269	96.0
575.33240	6.1
576.19592	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.8
59.01252	12.4
61.98676	2.6
65.03835	6.9
66.65538	2.1
67.01768	5.5
71.01259	4.3
71.58192	2.3
72.99178	4.6
78.95804	2.4
79.05405	7.1
91.05415	6.1
93.03355	2.6
95.04924	2.1
98.67564	2.4
107.04922	11.3
109.02835	39.5
119.04906	2.2
121.02847	10.6
123.04412	60.1
125.09625	2.5
133.02852	4.3
135.02794	1.9
135.04414	20.2
147.04410	4.5
153.01855	22.9
157.06541	2.6
159.04433	4.2
161.02376	10.3
165.05493	5.0
173.04556	2.5
173.06033	8.5
175.03947	12.0
175.07555	48.9
176.07916	3.3
183.08098	2.3
191.05525	3.6
193.08644	29.8
194.08958	2.4
198.16130	2.2
202.60974	2.2
205.01430	5.3
211.03975	13.2
215.07262	3.0
217.05014	3.6
217.08727	3.2
219.06631	5.9
225.05513	27.1
227.07108	47.1
235.09848	2.7
237.07639	4.2
269.04581	3.0
271.06094	100.0
272.06464	6.9
279.87708	2.1
280.43326	2.4
363.08655	5.7
381.09750	76.9
381.14493	4.7
382.10172	8.8
426.13290	2.4
440.06064	2.2
465.15326	4.4
557.18219	10.7
575.19269	21.4
575.28882	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
57.38169	0.3
59.01254	17.5
62.59673	0.3
69.56250	2.3
71.01257	5.0
71.04887	0.4
71.79458	0.3
72.39585	0.3
72.99191	0.5
73.02812	2.9
78.95778	11.6
79.95615	3.0
83.01265	1.1
83.04919	0.4
85.02819	3.2
87.00768	0.7
89.02324	1.4
91.05419	0.6
93.03342	1.4
95.01271	0.4
96.95895	100.0
96.96818	18.6
97.06450	0.5
97.95812	0.3
98.02338	2.0
98.20534	0.5
99.00746	0.5
101.02308	3.1
109.02867	2.3
111.51386	0.3
113.02333	2.0
119.03448	0.8
121.02859	1.3
134.03679	0.4
135.04424	7.8
137.02335	0.4
144.41333	0.3
148.05165	0.5
150.05424	0.5
151.03880	0.4
153.01843	0.8
154.52002	0.3
159.04417	0.4
161.02359	0.5
161.04506	0.7
163.07555	0.6
173.04446	1.4
177.05418	0.3
191.05547	3.3
223.31264	0.3
236.57251	0.3
249.11330	0.8
258.05484	0.5
315.07266	0.5
315.12341	0.6
327.12491	2.1
327.25342	0.8
340.02588	0.5
345.66345	0.4
351.05630	0.6
353.07040	2.4
353.23340	0.8
354.13696	0.4
371.14996	3.5
371.19336	0.4
371.24374	2.6
397.05917	0.4
411.24088	0.9
413.09177	1.1
413.14661	0.3
471.29709	0.3
474.86191	0.4
497.27142	0.4
515.28326	2.3
531.19531	0.5
531.28168	1.3
533.29742	1.3
575.30780	11.8
576.31085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46212	3.6
59.01246	62.5
60.92476	4.1
61.71368	4.7
65.03818	21.3
67.01756	27.8
71.01245	9.4
71.57979	7.4
78.95778	5.5
85.02837	10.6
89.02309	6.2
91.05418	13.5
93.03333	13.7
96.95912	6.4
107.04949	8.5
109.02839	100.0
111.00786	13.2
111.04411	4.8
111.79902	5.0
116.31332	4.3
121.02846	19.4
124.27420	4.1
128.89297	3.9
131.08531	4.4
133.02866	7.8
135.04424	74.6
136.04744	6.4
143.29776	4.3
147.04427	6.3
149.05974	6.6
151.79489	4.5
153.01840	58.2
159.04422	11.7
161.02330	8.1
163.07556	5.9
173.04468	11.9
173.06007	22.0
175.03981	7.6
175.07591	29.7
177.05466	16.4
179.03447	6.3
180.15855	4.5
191.05505	35.5
193.08667	12.1
199.07552	6.8
201.09116	11.8
211.03975	6.9
219.06531	6.4
225.05569	10.8
227.07069	17.7
261.11401	5.4
271.06100	27.4
293.07886	5.2
295.72296	5.3
307.09525	5.2
339.08557	4.7
345.11749	5.4
349.54132	4.6
351.08795	7.5
355.11957	26.2
381.09644	30.2
395.11429	13.3
403.15430	8.7
447.14594	16.2
465.15408	28.5
487.31717	4.8
557.18121	87.6
558.18866	12.1
575.19080	76.4
576.19830	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33973	0.5
54.76294	0.5
57.03330	0.8
58.00477	0.7
59.01251	16.7
70.85596	0.6
71.01251	9.1
71.12248	1.4
71.74410	0.5
72.99176	9.3
73.02821	2.9
74.23338	0.5
74.98970	1.0
75.00742	0.9
80.31602	0.6
81.03362	0.9
83.01250	2.0
83.04900	0.7
84.20303	0.6
85.02822	10.7
87.00774	2.9
89.02323	5.9
93.03339	5.7
95.01276	1.0
96.95892	2.4
99.00775	0.7
101.02320	5.3
107.04907	0.5
108.02106	0.7
109.02821	3.4
111.04382	1.3
113.02321	5.2
118.97987	0.7
119.03413	1.8
121.02853	0.7
125.02306	1.2
126.94225	0.5
127.03883	2.2
131.03468	0.6
133.02797	0.7
135.00797	1.1
135.04431	2.1
136.99034	0.8
137.02345	1.1
143.03378	0.8
145.02937	0.6
146.03625	1.6
146.68616	0.6
147.04431	1.0
149.02333	1.5
149.04507	1.3
151.00287	1.4
151.03891	1.1
153.01782	0.7
157.02893	1.9
161.02313	1.0
161.04477	1.9
163.03920	1.3
163.07518	1.2
168.72859	0.5
173.02385	1.1
173.04475	4.5
175.03900	1.5
175.07454	0.7
177.01851	0.7
178.99785	1.1
185.02293	0.9
191.05534	48.8
192.05904	2.5
209.05991	1.8
225.05540	2.4
228.00586	1.5
229.01340	8.3
235.03984	1.9
236.04755	0.7
237.05513	2.4
239.03487	1.2
243.03241	0.6
244.00078	2.1
253.05031	5.8
254.05533	0.7
255.03029	1.3
261.30902	0.7
263.03531	3.3
264.04245	2.2
265.05069	3.8
267.02957	0.9
269.00949	0.9
270.05176	0.9
279.06638	1.1
280.03903	1.0
280.07108	0.8
281.01422	1.4
281.04535	28.1
282.05084	4.2
287.01917	1.1
291.03027	0.9
292.03763	0.9
293.04651	3.4
295.06042	1.5
296.06845	13.6
297.00403	2.2
297.07544	3.9
299.01926	1.1
307.05911	0.7
309.04099	5.5
310.04300	0.7
311.09259	9.0
312.09586	0.7
313.10907	1.1
315.01428	3.7
323.05463	0.8
324.06290	4.5
335.01953	1.1
339.08743	10.2
340.09171	1.3
368.05289	1.9
383.07706	100.0
384.08054	9.7
395.07611	0.8
477.06793	1.6
478.07251	1.3
533.26227	0.9
575.14618	1.4
575.31470	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.3
59.01253	5.3
71.22659	1.6
71.23015	1.0
83.04899	3.6
85.06661	0.8
90.68353	0.7
93.03316	1.0
95.04895	1.2
96.95882	0.8
97.06467	14.5
113.09615	3.2
119.04910	3.0
121.02831	1.2
123.08063	8.0
125.09612	100.0
126.09966	4.3
135.04402	0.8
143.10638	1.7
145.78922	0.9
159.10181	36.2
160.10497	1.8
169.08614	3.8
187.09680	69.1
188.10043	4.0
189.09128	1.3
191.05615	1.6
198.12056	0.8
201.11191	1.2
225.11301	1.3
243.12291	5.2
261.13416	10.8
321.11359	0.9
403.23315	23.7
404.23611	3.1
411.25995	1.1
413.21854	1.2
431.17288	1.4
431.22858	20.2
432.23175	2.0
488.71725	0.8
573.32776	60.5
574.33142	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84191	0.6
54.49557	0.7
59.01253	17.7
67.01750	0.8
69.03315	0.9
69.27113	5.5
69.27542	2.7
71.01257	9.3
72.99182	11.5
73.02820	2.5
74.98944	0.9
76.48938	0.6
76.91510	0.6
78.53831	0.7
83.01254	2.3
83.04904	1.2
85.02826	11.2
87.00745	2.8
89.02321	5.2
93.03349	5.4
95.01281	1.0
96.95884	2.7
99.00752	1.0
99.04361	0.9
101.02334	5.0
108.02026	0.8
109.02782	1.7
111.04392	0.9
113.02330	4.6
119.03358	0.9
119.04884	0.8
121.02791	1.3
123.00764	0.8
123.04391	1.3
125.02287	1.8
127.03888	2.2
135.04413	2.2
137.02322	1.3
146.03647	1.7
147.04420	2.1
149.02390	1.9
149.04501	0.8
151.00262	1.1
151.03917	0.9
153.01884	1.1
154.92494	0.8
157.02829	0.9
161.02373	1.6
161.04402	1.7
163.07573	1.0
171.02861	1.0
173.02367	1.2
173.04456	4.6
175.04005	1.3
178.99797	0.8
179.05452	1.1
181.76749	0.8
189.05389	1.0
191.05547	53.6
192.05887	1.5
225.05528	2.5
228.00510	1.8
229.01385	8.0
235.03963	1.9
237.05557	3.5
240.04353	0.8
243.03055	1.8
244.00087	1.6
250.91948	0.7
253.05127	5.8
263.03506	3.2
263.70575	0.7
264.04263	3.1
265.05179	4.6
266.05759	0.9
269.00909	1.6
271.02463	0.8
279.06558	1.6
280.04028	0.8
281.04559	28.1
282.05164	4.5
287.01895	1.0
291.03149	0.9
293.04526	2.7
296.06934	12.4
297.00470	2.2
297.07642	3.0
298.08273	0.9
307.06174	0.8
309.04111	5.6
311.09241	10.8
313.10568	0.9
315.01465	3.9
323.05573	1.4
324.06293	3.3
339.08777	9.1
340.08890	0.8
353.02988	1.0
368.05280	2.3
383.07715	100.0
384.08069	12.1
401.08508	1.3
477.06482	3.4
478.07355	0.8
499.68686	0.7
515.23975	0.8
533.26373	1.8
575.14478	2.3
575.30615	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
59.01250	37.0
64.93322	0.7
67.01761	5.1
69.09234	0.7
71.01254	21.9
71.66186	0.7
72.99213	0.9
73.02819	28.0
74.63654	0.6
75.00781	0.8
83.01260	8.0
85.02824	3.1
87.00747	0.8
89.02304	3.6
91.05408	2.7
93.03325	2.1
96.95872	0.8
98.20560	1.3
99.00817	0.8
101.02324	22.1
109.02817	1.1
113.02322	4.6
117.07014	3.4
119.03384	1.8
121.02883	0.9
125.02339	1.7
131.03391	1.6
134.03625	11.2
135.04410	18.3
143.03377	0.9
147.04404	12.6
148.05215	8.2
149.04446	1.5
155.03435	1.1
159.04430	0.9
160.05194	4.0
161.04501	4.2
161.05968	34.8
162.06393	1.0
165.05446	1.2
173.04547	1.3
173.06053	1.8
177.09106	5.9
177.50172	0.7
189.09134	21.1
190.09485	1.1
191.05515	4.2
201.09283	0.7
203.10710	100.0
204.11098	5.2
215.10712	15.8
215.12552	0.5
252.23238	0.6
269.08173	0.6
303.20682	0.7
316.14041	0.8
351.16003	12.3
352.16290	1.3
357.11899	5.0
369.11877	29.5
370.12137	1.5
383.13571	4.5
395.13358	1.9
573.23395	9.2
573.32104	1.2
591.65088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86965	0.3
55.01760	0.4
59.01245	4.8
61.98699	0.4
65.03805	0.6
67.01758	4.3
71.01250	0.8
85.02825	0.6
87.00721	0.4
91.05417	2.0
93.03348	1.5
95.01357	0.3
101.02331	0.5
105.07007	0.5
107.04876	0.4
108.02057	0.8
109.02834	0.7
117.07011	4.2
118.07291	0.4
119.04909	0.5
121.02839	1.5
122.03715	0.5
123.04401	0.7
133.02869	0.6
134.03636	9.3
135.04422	46.8
136.04770	1.1
137.02344	1.0
137.05991	1.5
142.50983	0.4
147.04425	20.2
148.05220	9.8
149.06013	2.7
153.05486	12.8
154.05826	0.6
159.04424	1.5
159.11714	0.4
160.05231	4.2
161.05997	49.0
162.06342	2.2
163.03912	1.3
163.07549	0.8
165.05490	100.0
166.05814	4.3
173.04465	1.0
173.06004	2.3
174.06514	0.3
177.09145	11.6
178.02527	0.4
178.09497	0.5
179.07063	34.3
180.04131	0.4
180.07419	1.4
188.08310	0.5
189.09146	22.0
190.09445	1.3
191.05505	3.0
191.07053	14.7
192.07446	0.6
201.09172	1.1
203.10716	97.3
204.11072	7.0
215.10722	17.1
216.11026	1.2
302.80295	0.3
325.23868	0.7
351.15988	1.2
369.17072	44.1
370.17416	4.7
407.16989	1.3
439.51233	0.4
506.67462	0.4
513.22028	0.4
513.30511	0.6
517.23444	0.3
573.23071	3.1
574.23737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53467	0.7
57.03326	3.9
59.01250	100.0
69.59924	4.4
71.01254	23.6
73.02818	4.2
75.91843	0.6
83.01266	2.1
85.02824	4.0
89.02311	5.9
89.05946	12.8
89.06414	0.9
89.15848	0.6
93.03358	2.3
95.01313	0.7
96.95914	1.4
98.20544	1.0
101.02322	5.4
103.36504	0.8
108.02077	1.2
109.02876	1.1
111.04366	0.9
113.02298	3.5
119.03386	1.8
119.04941	1.0
121.02837	19.6
121.03665	1.3
122.03244	0.8
123.08089	0.9
135.04419	2.5
137.02339	1.3
139.95398	0.7
161.02353	1.0
161.04456	1.5
161.13455	0.8
163.03873	0.7
165.01814	1.1
165.05630	0.9
173.04494	2.2
189.36003	0.7
191.05527	5.0
192.05902	0.9
205.12282	0.9
237.05280	1.2
237.07661	19.7
251.11420	1.5
274.34708	0.7
279.08752	1.0
291.08731	5.2
293.12415	1.4
366.97446	0.7
375.27850	1.1
381.11871	10.5
382.12302	1.2
423.12857	5.9
451.40005	0.8
513.27142	1.3
529.26630	0.9
557.78046	0.9
573.29749	5.6
603.05933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
58.87130	0.4
59.01250	100.0
60.01585	1.0
69.03333	0.5
71.01253	12.5
72.99200	0.6
73.02808	3.1
73.61567	0.5
82.71089	0.4
83.01286	1.0
85.02814	2.4
87.00772	0.9
89.02316	3.0
89.05957	8.6
93.03352	1.3
95.01291	1.1
96.95908	1.9
97.02772	0.4
97.06477	0.4
98.19744	0.9
99.00777	0.9
99.04428	0.7
101.02323	3.6
108.02074	0.9
109.02831	1.0
113.02312	3.9
115.91999	0.6
116.92750	1.0
119.03431	1.1
121.02844	31.1
122.03162	1.1
123.04431	0.5
125.02368	0.8
135.04446	1.5
136.07564	0.4
143.03436	1.0
148.14972	0.4
152.01097	0.5
153.01810	0.6
161.02422	0.5
161.04521	1.7
173.04485	1.9
179.03490	0.6
179.05594	0.8
180.54662	0.5
191.05492	2.9
203.05463	0.5
229.76314	0.6
233.10399	1.2
237.07629	14.7
237.09911	0.8
238.08000	0.7
279.08875	1.4
291.08649	2.1
293.12335	0.8
308.14474	0.5
325.11044	0.7
325.24170	0.5
363.10989	1.1
381.11874	8.6
423.12869	7.0
423.18225	0.5
424.13348	0.7
441.13574	0.5
513.27325	0.5
529.26788	1.5
573.29688	2.6
594.69696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.4
59.01251	100.0
69.03356	2.0
69.25087	16.1
71.01257	25.0
72.99163	2.0
73.02808	16.0
74.02402	1.5
80.72745	1.4
83.01262	4.9
83.04901	2.8
85.02840	9.7
87.00752	4.0
88.98713	1.4
89.02309	11.7
93.03358	6.4
95.01272	2.3
96.95887	5.2
101.02340	16.1
108.02041	2.9
109.02856	5.0
111.04444	2.2
113.02348	11.1
117.02554	1.5
119.03403	3.7
119.04942	3.8
119.06838	1.7
121.02828	4.5
125.02323	2.7
131.03394	2.6
133.02873	1.8
135.04405	8.7
137.02348	2.8
143.03365	2.9
147.04457	1.4
149.06035	1.7
152.01048	1.9
153.01837	1.6
161.02364	1.9
161.04462	4.8
163.03917	1.8
173.04393	8.2
177.01819	4.7
179.03455	2.7
179.05501	1.9
179.07182	1.6
191.05525	14.8
193.06314	1.5
265.05188	2.0
265.08694	1.8
292.07172	2.4
304.02332	1.8
307.09787	23.3
307.19092	2.7
308.09995	3.2
325.10764	9.5
331.76807	1.7
369.13376	3.2
373.25940	5.7
375.27634	2.7
381.11917	1.7
469.15033	8.2
469.26706	2.4
487.16058	4.5
513.26501	3.3
529.16370	3.0
529.27441	8.7
573.21198	3.2
573.29352	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79211	0.7
57.02465	0.7
58.19254	0.7
59.01254	10.5
65.03832	1.9
67.01743	0.8
69.81233	2.5
69.81673	2.2
70.01929	0.7
71.01261	2.6
73.02837	1.7
79.05421	1.0
85.02827	1.3
89.02325	0.8
89.99303	0.6
91.05412	10.7
93.03338	5.0
96.95889	6.0
98.20602	0.9
99.00749	0.7
101.02310	1.3
107.04887	2.6
108.02058	2.0
109.02854	10.7
109.06481	1.5
113.02332	1.4
114.93298	0.8
119.04930	1.0
121.02851	35.2
122.03745	3.3
133.02867	0.9
134.03638	9.3
135.04425	92.7
136.04753	4.7
147.04427	16.5
148.05281	6.0
159.04422	1.4
159.11688	1.1
161.05949	2.0
166.02605	0.9
171.08038	0.8
173.04486	1.3
173.05959	1.4
177.09140	16.7
178.09557	0.8
179.07098	1.0
189.09149	35.8
190.09474	1.9
191.05533	4.1
203.10716	100.0
204.11075	7.3
215.10719	7.9
263.66919	0.7
291.20438	0.7
299.01996	0.7
325.14459	52.8
325.23785	2.7
326.14688	5.8
369.17801	0.7
369.22766	4.2
442.24576	0.9
468.95319	0.8
469.18280	0.8
515.14990	0.8
529.20789	19.5
530.21295	3.4
573.29407	2.0
597.93713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.44485	0.7
70.09770	2.4
71.43905	0.9
78.95776	83.9
82.54098	0.7
86.34402	0.7
96.96847	17.6
98.19886	1.0
110.17213	0.7
137.40955	0.8
152.99490	77.4
153.99852	1.4
158.97630	0.8
223.00060	1.9
241.01151	43.7
242.01520	1.3
255.23274	100.0
256.23627	7.8
315.04901	10.1
391.22528	7.6
424.04590	0.8
571.28876	98.7
572.20667	1.5
572.29254	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66700	2.4
59.01248	26.0
63.05101	1.9
71.01248	7.1
71.57603	4.4
77.69727	2.3
78.95770	25.1
82.09820	2.0
85.02795	2.7
89.02305	3.2
96.95863	3.3
96.96846	5.0
101.02334	2.9
117.66916	2.1
152.99503	21.9
161.90117	2.3
187.09686	2.4
199.69861	2.0
223.00136	6.6
241.01132	3.8
253.09236	20.0
255.23264	4.0
275.20135	100.0
276.20502	8.0
315.04901	2.8
407.17337	2.7
571.28442	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3005
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
54.71364	1.7
55.92598	1.5
70.03354	9.7
70.44697	1.6
71.01245	6.9
78.98468	4.8
79.95597	9.3
80.96395	61.2
85.02810	2.8
87.00704	3.6
94.97965	17.2
97.05584	1.6
101.02277	2.1
106.98021	2.1
108.50385	1.7
113.10377	1.6
122.97452	2.7
134.97484	4.1
148.99055	4.0
152.98506	5.3
164.98579	11.6
170.13399	1.6
181.24863	1.9
206.99440	2.4
225.00723	15.8
269.25043	2.8
299.04321	4.3
397.80414	1.7
569.30035	100.0
570.30151	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02966	0.3
51.97811	0.3
55.29285	0.3
57.03330	0.5
59.01255	12.6
59.59034	0.4
59.66657	0.3
61.98693	0.3
67.01775	0.4
69.03333	0.4
70.92052	0.7
70.92404	0.6
71.01257	7.0
72.99179	1.3
73.02824	5.2
73.64352	0.3
75.00729	0.4
78.95798	0.7
81.03299	0.3
83.01254	3.6
85.02831	2.4
87.00749	1.3
89.02325	2.4
91.95943	0.3
93.03341	1.8
95.01246	0.5
96.95904	4.1
97.02856	0.5
99.00759	2.7
99.04416	0.5
100.01569	0.4
101.02331	5.1
108.02048	3.1
109.02842	3.7
111.00768	3.1
111.04402	0.4
113.02353	2.1
113.99482	8.3
115.00272	4.1
115.91969	0.6
116.92724	2.0
118.97953	0.4
119.03372	0.7
119.04943	0.5
121.02725	0.6
122.03604	0.4
123.04398	0.8
125.02395	0.6
128.01068	1.4
134.15739	0.3
135.04395	1.3
137.02348	1.3
139.00294	0.6
143.03413	0.4
145.90463	0.3
149.02402	0.4
149.04503	0.4
151.03915	0.6
152.01079	2.4
153.01869	3.8
156.00560	12.6
157.01312	0.7
161.02328	0.7
161.04483	0.9
162.02762	0.4
163.03976	0.4
173.04480	0.8
174.01620	100.0
175.02003	3.7
178.99776	0.4
179.03447	0.9
180.16615	0.4
191.05574	3.5
216.02798	0.4
222.88623	0.3
231.13840	0.4
249.07991	0.3
312.14426	0.4
335.12405	0.4
336.12796	0.5
349.20264	0.4
353.09607	0.4
369.97925	0.3
471.22263	1.1
472.23108	0.4
511.21661	2.2
512.22028	0.4
546.42535	0.3
571.24121	3.7
572.24255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	21.1
61.33939	0.3
61.76489	0.2
61.98694	0.5
71.57781	0.4
75.00732	1.0
78.95775	21.2
79.30734	0.2
85.53424	0.2
85.55684	0.3
96.95898	0.7
98.20608	0.3
138.25420	0.3
152.99474	3.7
153.02025	0.3
168.04208	2.8
173.04482	0.3
178.20798	0.3
224.06873	8.3
225.07143	0.3
242.07890	1.9
255.23233	3.6
256.23712	0.6
263.44211	0.3
269.24838	100.0
270.25171	9.1
480.93054	0.3
483.27429	1.3
492.46725	0.3
494.32489	55.4
495.32864	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23504	6.3
59.01035	5.1
59.01254	54.5
71.01260	27.8
74.96951	6.4
85.02823	9.6
86.57084	7.2
87.00715	12.0
89.02316	27.0
93.03355	8.3
96.95901	8.1
101.02306	21.8
108.02068	7.4
113.02322	15.6
118.87536	5.9
119.03390	13.9
137.02298	9.3
141.45686	6.9
151.38226	6.7
153.01878	7.9
173.04466	13.9
179.05565	10.3
181.09749	7.2
191.05524	24.3
298.47086	7.4
334.58347	6.6
387.87460	6.2
403.04990	7.9
446.08472	7.4
467.59216	7.3
533.25891	13.7
569.15332	6.0
569.23541	100.0
569.31506	15.1
570.23895	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
60.72465	10.9
61.98701	23.0
69.03316	13.6
69.53377	95.4
71.01254	64.4
72.99174	13.9
73.02834	24.3
75.00749	16.0
83.01278	12.0
85.02815	38.5
87.00787	18.1
89.02324	79.6
93.03356	24.4
96.95899	28.0
97.33209	11.0
98.20522	24.2
101.02349	45.4
108.02084	20.9
109.02834	29.1
113.02359	36.3
113.61523	10.7
116.74537	11.3
119.03387	28.9
121.02793	11.6
125.02357	17.5
127.25198	10.1
127.26469	10.4
135.04401	21.0
137.02367	20.5
150.03166	11.4
152.01044	25.0
153.01855	17.1
171.10150	34.2
173.04478	30.1
191.05556	62.8
261.75363	12.5
288.47632	12.5
341.11267	15.0
406.05350	13.2
521.20605	15.0
569.15271	18.8
569.23401	100.0
569.31879	89.6
570.24426	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.0
58.69627	1.5
59.01253	41.7
60.01588	3.8
61.01685	1.5
61.98706	4.6
67.01749	1.4
69.63428	9.3
71.01260	13.4
72.99179	2.3
73.02814	4.2
78.95786	2.9
83.01279	4.2
85.02858	8.5
87.00770	2.4
89.02318	4.9
90.64113	1.5
93.03326	6.7
94.06532	2.2
95.01272	2.2
96.30605	1.4
96.95904	5.5
97.30551	1.4
99.00794	1.4
101.02343	6.5
107.03671	5.4
108.02069	7.0
109.02896	8.3
110.03167	1.8
111.04410	2.2
113.02343	4.7
114.57490	1.2
115.91930	1.3
119.03410	3.5
119.04912	2.9
121.02845	2.3
121.05244	13.9
122.06019	40.4
122.06872	3.0
122.56837	1.5
123.04389	2.7
123.06329	2.2
125.02351	3.0
132.04457	52.2
133.06476	1.6
134.06041	5.2
135.04408	7.6
135.06795	4.1
136.03880	1.9
136.07596	5.3
137.02345	4.0
138.05522	2.2
139.02597	1.6
147.04388	1.7
149.04712	2.1
150.03120	1.6
150.05518	4.6
151.00383	1.5
152.01039	8.7
152.07085	100.0
153.01833	4.4
153.07410	4.2
155.03531	1.5
158.02452	1.5
159.02997	1.5
160.03970	4.5
161.02347	2.6
161.04518	3.6
162.05580	2.5
163.03900	2.7
164.03406	7.7
164.07092	3.9
165.05429	1.7
166.05016	5.3
167.05750	4.5
170.51125	1.3
173.04506	4.3
176.03438	19.3
177.01884	2.0
179.03392	2.4
180.06584	2.2
181.05064	2.0
190.05022	12.5
191.05592	19.1
204.06387	1.4
229.01353	1.5
239.08202	4.4
239.11963	2.8
251.08298	2.7
251.11899	3.6
257.00833	2.5
267.11377	2.0
279.07733	3.5
280.08435	2.6
293.09381	2.1
295.10840	5.0
297.09518	1.9
297.12427	8.1
298.09628	1.6
307.10995	1.9
312.11148	5.5
313.11789	2.1
323.10483	1.9
325.11880	1.9
327.13580	3.1
341.11423	59.3
341.40634	1.7
342.11844	6.3
349.03558	2.8
355.13055	16.0
356.13803	35.6
357.14163	3.6
359.16019	2.3
361.03503	10.4
371.24701	1.7
377.02966	9.8
388.12830	39.3
389.13107	5.0
401.17532	2.0
404.16061	3.1
406.03180	15.6
407.03833	7.6
416.20004	1.8
460.18542	5.5
477.19485	1.6
492.21500	13.8
493.21844	3.4
506.33856	1.9
507.34583	7.5
508.34830	6.7
524.24042	37.2
525.24615	7.3
536.20563	13.7
568.23279	36.9
569.09045	13.2
569.22711	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.3
57.03323	2.8
58.00466	1.9
59.01251	12.5
67.01763	0.3
69.03326	0.8
71.01257	4.8
71.04893	0.5
71.58060	0.3
71.58446	0.4
72.99178	0.7
73.02818	2.5
75.00760	0.5
81.03318	0.8
83.01245	0.9
83.04943	0.3
85.02811	2.5
87.00749	1.2
87.04412	0.6
89.02312	3.0
93.03334	1.1
95.01260	0.4
96.95881	0.4
97.06465	1.2
99.00758	0.6
99.04364	0.5
101.02322	3.5
107.04901	0.4
108.02068	1.3
109.02827	1.0
109.06470	0.4
111.08029	2.9
113.02325	1.9
113.09610	0.4
119.03384	1.0
121.02856	1.4
121.06447	0.5
122.03658	0.5
123.04440	0.5
123.08052	10.9
124.08401	0.6
125.05959	0.5
125.09607	0.6
127.11169	3.9
131.08585	0.3
135.04384	1.9
137.02336	1.3
137.08685	0.6
137.09627	6.2
139.11177	2.5
141.09122	0.5
141.28246	0.3
147.04399	0.4
147.08047	0.5
149.02321	0.7
149.09625	21.9
150.03111	2.9
150.09962	1.2
151.03981	0.3
151.07581	0.6
151.11221	0.5
152.01097	1.5
152.08231	0.3
153.01843	0.8
153.09103	0.6
155.10706	1.8
157.12257	0.4
161.02367	0.4
161.04375	0.6
162.33647	0.3
163.07564	1.1
165.05473	2.5
165.09125	1.1
167.10683	15.2
168.11018	1.0
173.04451	0.8
177.05537	0.6
177.09090	0.4
179.03342	0.6
182.42500	0.3
183.10248	0.6
187.09689	1.7
191.05533	1.8
194.05849	0.3
195.06546	2.3
201.11255	2.4
207.02995	0.6
209.08199	0.5
209.11755	0.6
217.10770	0.6
231.12337	100.0
232.12669	6.4
234.08963	0.3
235.02542	0.5
235.06009	0.3
239.11783	0.3
247.00018	0.3
251.28671	0.3
252.01569	0.3
259.15543	1.6
269.13846	0.7
283.10767	0.4
284.11188	0.7
329.10510	0.4
357.13318	1.2
369.10107	0.3
371.08380	0.4
372.09155	0.4
373.09314	0.4
389.08661	1.1
395.07397	0.6
403.11322	0.7
404.11740	0.4
405.12134	1.6
429.10269	0.5
449.20126	0.4
481.26700	0.4
523.27631	4.4
524.28186	0.8
535.14105	0.3
549.15692	0.4
549.29010	2.0
550.16180	0.3
550.29797	0.5
567.30194	69.4
568.30573	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.03324	5.2
58.00470	5.6
59.01251	90.1
60.01583	1.0
68.55764	0.7
71.01253	73.4
71.05816	1.4
72.01580	1.1
72.99188	6.1
73.02811	2.5
75.00732	0.9
81.10846	0.7
83.01253	2.0
85.02335	1.1
85.02818	11.1
87.00736	4.2
89.02317	100.0
90.02605	1.6
90.03672	0.6
93.91557	0.7
94.44952	0.7
95.01263	4.2
99.00776	1.1
101.02321	38.2
113.02332	31.6
119.03390	42.3
131.03395	4.6
143.03387	7.6
149.04497	3.5
149.09569	2.8
161.04459	10.5
162.17520	0.6
179.05530	28.6
180.05812	0.9
191.05539	1.1
207.13919	0.7
243.06541	2.0
301.33261	0.7
310.72388	0.6
379.96310	0.7
405.20966	2.6
406.21503	0.8
528.90863	0.8
567.26294	4.3
589.17365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81314	2.3
59.01251	31.9
61.98714	3.3
67.01762	3.3
70.48669	3.9
70.49053	6.5
71.01263	8.1
73.02819	3.5
79.95635	2.1
85.02840	5.6
87.00790	3.9
89.02348	3.8
93.03365	6.5
95.01234	2.2
96.95898	2.7
97.02787	3.5
101.02350	3.2
107.04882	2.6
108.02057	4.2
108.36630	2.8
109.02840	86.1
110.03166	3.6
113.02342	2.9
119.04971	3.3
121.02866	5.3
122.19550	2.5
123.04388	3.5
133.02824	3.0
134.41620	2.6
135.04414	89.1
136.04778	3.2
137.02325	3.5
143.04936	4.1
145.02866	9.0
146.03633	44.8
147.04434	20.2
149.05980	3.9
152.27695	2.4
158.03622	7.5
159.04451	36.7
160.05208	10.4
161.02354	5.4
161.05991	12.6
163.03922	5.0
171.04311	5.4
172.05240	18.7
173.04539	4.2
173.05956	20.5
174.03127	4.2
174.06784	7.5
175.03922	5.7
176.04666	3.6
183.04373	2.5
185.06012	12.9
186.06783	7.6
187.03969	9.6
187.07533	7.3
188.04759	15.9
188.54945	2.6
189.01907	5.1
189.05519	47.7
191.03470	18.0
191.05547	11.4
196.05174	14.8
197.06009	17.7
198.06845	2.6
199.04041	4.5
199.07600	6.2
200.04668	5.7
201.01965	4.5
201.05475	9.0
202.02525	3.5
203.03421	14.9
204.03987	3.5
209.05989	6.0
210.06822	4.0
211.07571	5.0
211.13362	40.8
212.04800	3.3
213.05550	7.5
214.06302	4.1
214.92844	3.7
215.07088	6.1
223.07590	8.0
225.05534	7.2
226.06305	10.9
227.06990	5.0
229.04892	2.9
245.11658	3.5
267.06641	7.1
268.07413	20.5
269.11859	12.2
269.15482	4.0
271.06116	3.3
271.13306	16.6
278.09277	2.8
279.10150	2.3
283.13431	10.8
284.13681	4.6
287.12906	8.7
289.14462	11.0
291.06699	4.2
292.07507	8.6
295.13474	15.2
295.16376	2.8
297.15057	4.4
300.07852	3.5
301.14468	18.9
306.08994	3.0
307.13348	6.2
309.15097	2.6
311.86407	2.8
313.14438	24.8
318.08868	12.6
319.15472	18.8
320.16003	2.8
321.14963	6.2
325.14481	18.7
330.14691	7.5
331.15533	23.6
332.15817	3.4
333.15112	2.9
339.15973	28.3
340.16269	2.9
343.15482	9.1
351.16058	25.6
357.17078	15.1
369.17072	68.4
370.17426	6.1
413.15912	11.9
417.17007	17.6
425.17102	4.1
435.18021	12.4
436.18127	3.0
443.18613	21.0
444.19125	3.2
461.19711	79.2
462.20157	13.3
479.20770	100.0
480.21347	13.2
523.19690	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00157	3.3
55.14039	3.1
57.00476	3.2
59.01253	49.4
61.98706	6.5
64.74952	2.8
65.08343	3.2
71.01261	16.2
71.58475	4.0
72.15171	2.9
73.02796	5.6
78.09923	3.3
78.35477	3.3
83.04872	3.9
85.02834	10.8
87.24519	3.0
87.71897	3.3
88.98673	11.5
89.02323	6.4
93.03342	10.1
95.01259	4.3
96.95868	10.6
99.92443	3.4
101.02342	5.5
108.02051	7.2
108.84310	3.3
109.02843	77.8
113.02343	7.9
116.92758	11.7
121.02849	6.6
134.03595	6.4
135.04419	86.8
136.04745	3.8
137.02321	5.3
145.02831	9.8
146.03641	42.9
147.04416	18.7
149.02344	3.4
149.06033	4.6
150.03024	4.7
158.03636	5.8
159.04410	35.1
160.05190	11.8
161.02330	5.3
161.05984	15.2
163.03903	7.3
171.04422	4.3
172.05197	19.2
173.04442	9.2
173.05992	18.2
174.03123	5.7
174.06706	6.0
175.03900	5.0
176.04796	3.7
177.05434	5.1
183.04407	3.5
185.05957	8.0
186.06789	4.2
187.03899	10.0
187.07487	5.4
188.04692	17.9
189.01849	4.4
189.05518	37.4
191.03375	12.6
191.05511	24.0
196.05190	9.5
197.05956	13.0
198.06703	4.1
199.07611	7.8
200.04686	3.9
201.01988	4.0
201.05428	9.7
202.06248	5.3
203.03366	17.5
210.06837	5.0
211.07617	4.0
211.13332	35.9
213.05537	5.3
214.06400	4.4
215.06976	3.6
223.07581	4.8
225.05542	6.0
226.06273	14.7
227.06998	5.9
255.13899	4.6
267.06644	7.5
268.07343	19.3
269.11884	6.9
269.15430	4.6
271.13342	16.0
283.13400	10.1
285.14932	6.0
287.12988	8.9
289.14438	6.2
292.07343	9.5
295.13394	18.6
301.14343	21.5
306.08917	4.6
307.12943	4.1
311.16202	3.7
313.14417	19.0
318.08890	13.2
319.15530	20.1
321.15048	8.4
325.14389	12.7
330.14725	5.0
331.15540	20.5
339.15976	27.4
343.15390	6.8
351.16034	13.8
352.16498	3.7
357.17029	19.9
369.17029	57.1
370.17203	5.4
403.33127	3.9
413.16110	11.1
417.16940	21.1
425.17969	4.0
435.17996	13.8
443.18701	20.7
444.19202	4.0
461.19659	68.2
462.20090	13.1
479.20697	100.0
480.21118	20.5
506.34299	8.4
523.19708	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1717
Annotation	Mulberroside A
Peak:m/z	Relative Intensity
57.03327	0.2
59.01246	2.8
69.86639	1.3
71.01251	2.5
72.99171	0.3
73.02825	0.4
83.01251	0.4
85.02814	1.1
87.00763	0.5
88.69185	0.3
89.02310	1.4
91.01800	0.3
93.03339	0.6
95.01289	0.5
96.95880	0.7
97.02835	0.5
101.02331	1.2
107.04925	0.3
108.02052	0.4
109.02839	1.0
113.02328	2.2
115.05435	0.4
117.03349	0.3
117.06822	0.3
119.03385	0.5
121.02840	0.4
123.04340	0.4
129.06947	0.4
131.08545	0.2
133.06491	0.8
135.04453	0.6
137.02338	0.6
146.03552	0.3
151.03856	0.4
153.01810	0.3
155.08604	1.2
157.06500	4.2
158.03682	0.8
158.06874	0.4
159.04424	6.3
161.02322	0.9
161.04433	0.7
165.01842	1.7
167.10765	0.4
171.08066	0.8
173.06001	2.3
175.03914	0.5
175.07565	15.8
176.07895	0.8
179.03433	0.6
180.04164	0.9
180.05652	0.4
181.05019	0.4
181.06509	4.6
182.06886	0.3
183.04420	1.3
185.02362	2.4
191.05551	1.1
195.06529	1.1
197.06029	0.4
199.03825	0.4
199.07579	12.8
200.07884	0.7
201.05508	7.1
202.05801	0.4
215.07027	1.5
225.05534	14.1
225.07561	1.0
226.05832	1.0
226.07855	0.3
227.03389	0.6
228.04276	1.2
241.05025	0.5
243.06598	100.0
244.06921	7.4
251.26689	0.3
267.06934	0.4
281.09305	0.9
283.10922	0.4
285.12350	0.3
292.09109	0.3
293.09302	0.5
295.07373	0.4
296.08038	0.6
298.95120	0.2
311.10370	3.7
312.10706	0.4
327.08752	0.6
329.11414	1.8
342.10880	0.4
357.13562	1.4
373.10220	1.0
403.88455	0.3
405.11908	22.7
406.12222	2.1
447.14447	0.4
507.16422	0.3
507.27975	0.3
510.50717	0.3
567.26990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46658	0.4
57.03331	1.0
58.51095	0.4
59.01253	8.6
61.98685	0.4
65.03842	0.7
69.03302	0.5
71.01250	6.1
71.58542	0.6
73.02811	3.3
81.03352	0.4
83.01276	0.6
85.02818	4.0
87.00754	0.7
89.02316	1.9
93.03336	48.8
94.03678	1.3
95.01274	1.1
96.95877	0.7
99.00752	1.6
101.02332	1.9
108.02052	55.9
109.02871	11.3
113.02335	2.3
119.04945	1.0
121.02799	1.2
122.03613	0.9
123.00776	0.6
123.04408	1.5
125.02363	1.0
134.03629	0.5
135.04422	2.3
137.02341	70.2
138.02669	2.0
147.04451	0.4
151.00261	0.9
151.03908	1.5
152.01057	95.4
153.01868	6.7
154.02266	0.7
161.02330	1.1
161.04466	1.3
162.05537	0.5
163.03920	4.0
165.05495	0.5
173.04474	0.9
177.01817	1.2
179.03403	1.0
191.05592	2.0
255.15913	1.7
279.04822	0.5
297.06375	0.8
315.07193	1.1
377.01779	0.5
429.10300	7.8
435.09091	0.8
447.11417	16.9
448.11771	1.9
506.33789	0.9
567.13495	100.0
568.13849	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	17.0
60.99176	18.8
61.98718	1.9
63.53041	1.3
65.20911	1.3
67.14002	1.2
70.87960	1.4
70.88274	3.0
71.01254	5.7
72.99203	3.0
73.02827	2.6
77.30864	1.2
82.87537	1.2
83.01276	1.4
85.02815	2.2
86.37690	1.4
87.00779	3.2
88.00320	1.4
88.98681	100.0
89.02322	14.1
93.03354	3.0
96.95881	2.0
100.46459	1.4
101.02309	2.7
109.02869	7.2
113.02312	2.1
121.02837	2.0
131.57487	1.4
135.04420	15.7
137.02359	2.3
147.04427	4.6
159.04483	2.1
163.03979	2.0
173.04486	1.6
174.03256	2.0
185.06087	1.5
191.03442	5.3
191.05566	4.7
193.08664	2.6
197.05984	1.6
211.13396	2.5
213.05316	1.5
270.05292	2.0
315.12329	3.4
357.16998	1.7
369.17068	4.7
413.15976	3.0
443.18469	1.7
461.19812	4.3
477.17834	3.2
479.20667	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.7
57.03325	5.0
58.00469	0.8
59.01250	100.0
60.01592	1.0
61.98700	1.1
62.42133	0.3
67.01751	0.7
69.03338	1.5
70.87798	0.8
71.01254	26.3
71.04901	0.7
72.01611	0.5
72.99178	1.5
73.02819	9.0
75.00757	0.8
78.95773	0.7
81.03334	0.7
83.01256	4.8
83.04909	0.4
84.02044	0.3
85.02824	16.0
85.99986	0.7
86.03181	0.4
87.00759	2.7
87.04392	2.3
89.02316	5.8
90.94341	0.3
91.01797	0.4
93.03337	2.6
94.03672	0.3
95.01262	3.1
96.95909	0.9
97.02837	1.1
97.06478	0.4
99.00740	3.2
101.02324	15.9
102.02657	0.3
105.03336	0.3
108.02055	3.6
109.02835	15.7
109.06503	0.3
110.03194	0.9
111.00771	1.7
111.04414	0.5
111.86084	0.3
112.01559	0.9
113.02332	16.4
114.02711	0.4
115.03924	0.4
119.03394	1.7
119.04928	0.5
121.02843	0.7
123.04420	0.9
124.01569	0.8
125.02319	1.6
129.01877	0.4
133.02856	0.6
135.04422	1.7
135.32167	0.3
137.02373	1.1
137.06017	0.4
143.03394	2.6
149.06009	0.5
150.03113	0.3
151.03894	0.6
152.01050	3.0
152.06978	0.3
153.01840	17.0
153.05475	0.7
154.02187	0.7
155.10716	0.3
155.14252	0.3
159.02933	1.6
159.04059	0.3
161.02429	0.6
161.04474	9.3
161.05806	0.5
162.04713	0.5
163.03784	0.4
164.93637	0.3
165.05518	0.4
169.12180	0.3
171.10262	0.5
173.04459	1.9
174.04736	0.3
177.01842	4.1
179.03438	0.5
179.05553	0.5
179.07063	1.0
180.07436	0.6
181.07668	0.3
183.13834	0.4
185.15370	2.2
187.03931	0.3
188.77885	0.3
189.09087	0.5
191.05524	5.5
192.05875	1.4
193.06006	1.0
195.06898	0.3
201.14928	0.3
205.03355	0.4
213.18553	0.8
241.21719	0.4
251.20082	0.4
253.09731	0.3
257.21173	0.8
271.02472	0.4
271.22748	0.9
284.13773	0.7
285.14059	0.7
297.24432	0.3
299.01871	0.6
301.03500	0.5
303.15085	0.5
307.14575	0.3
311.15628	0.4
315.07181	1.8
315.25363	1.8
327.21765	0.5
329.16809	0.4
329.22629	0.6
329.27008	0.6
343.28522	2.8
345.17075	0.6
346.17459	0.6
347.17633	1.0
359.28140	0.5
361.15692	0.3
361.29565	8.2
362.29944	0.6
367.15588	0.3
371.14944	0.9
372.15387	0.6
373.15750	1.6
391.27328	0.4
403.30966	0.6
411.16611	1.1
457.31851	0.4
475.32199	0.5
484.63708	0.8
487.32855	0.7
505.33817	75.1
506.34128	11.4
523.34857	19.4
524.35260	2.5
565.18909	5.5
565.35443	1.8
566.19800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.5
57.03330	3.7
59.01252	100.0
61.98699	7.1
67.01745	4.0
69.40659	2.3
71.01265	23.1
73.02809	13.7
78.95786	6.9
81.51987	2.2
83.01257	6.0
83.04877	2.9
85.02835	15.1
87.00754	5.7
89.02321	8.3
91.05426	4.8
93.03340	19.8
95.01266	6.1
96.95879	7.9
97.02835	2.8
98.19734	5.4
99.00795	2.7
101.02328	17.5
106.02395	2.3
109.02849	8.0
113.02325	9.0
119.03374	4.7
121.02844	5.5
123.87556	2.3
133.02855	3.5
135.04405	32.0
136.04752	10.4
137.02356	8.7
137.05028	3.4
139.03915	5.0
143.03336	2.7
146.14810	2.5
152.01004	3.1
153.01860	2.7
157.04987	4.4
161.02379	4.9
161.04521	5.1
173.04477	14.2
174.04778	3.3
179.03366	3.2
191.03917	3.5
191.05536	25.8
192.05910	6.6
193.06090	4.8
193.08690	2.9
201.12781	7.4
205.01346	5.1
205.08614	3.7
231.10333	2.7
241.04967	3.1
245.11629	2.5
317.13235	3.2
386.06500	5.6
387.06796	2.9
461.31070	26.9
462.31320	4.7
479.32404	11.2
505.33524	8.9
521.18811	5.1
565.22070	12.7
565.35474	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.9
57.03319	9.6
59.01252	100.0
60.61299	2.9
61.98710	3.5
69.03335	3.7
69.45615	28.7
71.01250	54.4
72.99182	8.5
73.02823	24.3
83.01244	3.7
85.02831	13.3
87.00774	3.9
89.02319	70.6
93.03349	7.1
95.01253	5.0
96.95885	6.2
97.02843	3.5
99.00764	18.9
101.02325	38.7
102.01881	3.2
105.57056	3.4
108.02069	5.9
109.02835	17.9
110.00003	3.8
113.02321	13.9
119.03437	10.1
121.02853	6.8
123.04418	8.0
125.02341	6.5
131.03416	9.2
133.02840	3.6
135.04443	14.7
137.02328	4.8
139.00281	7.5
146.26491	3.2
147.04417	4.1
149.04454	41.1
151.00279	4.9
152.01003	5.0
153.01877	7.5
161.02422	6.2
161.04475	3.6
165.98926	4.6
166.99802	3.7
167.03429	3.5
169.12273	4.1
173.04449	8.5
177.05544	4.0
178.99776	3.2
179.03464	4.3
179.05522	5.7
183.28992	3.1
189.05432	3.6
191.05556	27.1
221.06441	5.7
227.03583	4.7
252.16331	3.2
270.01764	3.8
271.02478	20.1
272.02985	4.4
283.11032	4.3
287.01810	15.1
288.02664	3.7
298.08179	3.3
299.01892	10.4
300.02670	6.0
313.10684	7.3
316.02200	34.1
317.02975	16.2
318.03574	3.7
327.09918	6.4
354.43491	4.1
359.15143	17.0
385.12122	3.3
385.22610	4.2
387.07422	4.3
395.07651	4.1
403.10898	4.3
403.23270	6.9
413.36267	3.2
445.24661	4.7
479.25128	4.1
505.14746	7.0
505.26541	56.8
506.26981	4.2
521.09479	51.2
521.17438	5.1
521.18890	4.8
521.26050	42.2
522.09436	5.7
522.26630	6.4
565.18805	9.9
565.28741	47.9
566.29010	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56535	1.6
55.01768	2.8
57.03330	1.8
57.59271	1.8
59.01249	100.0
60.16566	1.7
60.50953	1.7
61.01680	1.7
61.67511	1.8
61.98700	5.2
66.45245	1.6
67.01737	2.9
69.03323	2.1
71.01259	21.0
73.02808	10.2
76.67381	2.0
77.40334	1.7
81.03347	2.0
83.01264	4.9
83.04893	1.8
85.02813	10.5
87.00774	3.2
89.02315	6.2
93.03342	10.0
94.03645	1.8
95.01234	1.7
99.00758	3.8
101.02316	19.8
107.04961	2.2
108.02032	2.4
109.02843	8.1
111.04414	2.5
113.02314	10.6
121.02843	3.0
125.02331	3.0
133.02835	2.7
135.04456	15.7
136.04755	5.8
137.02356	4.0
139.03867	2.2
152.07062	2.0
153.01811	2.3
161.04483	5.3
161.05957	2.1
173.04477	11.6
175.07568	2.2
178.16743	1.7
191.05539	14.3
192.05887	2.7
243.14279	2.0
280.81183	1.9
343.14819	2.4
413.14606	1.9
461.31192	27.1
462.31570	5.4
479.32297	8.1
490.19928	4.0
505.33975	10.4
506.34467	2.4
565.21967	8.0
566.22266	2.6
566.32825	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16724	15.4
59.01252	100.0
61.98699	23.3
69.52190	78.7
69.52595	40.0
71.01270	17.6
78.95779	28.9
85.02840	24.0
88.91699	17.1
93.03345	40.5
96.95898	84.6
96.96872	30.2
116.03983	17.4
135.04375	26.3
145.59489	17.8
173.04544	29.1
176.98296	19.2
191.05505	61.0
253.09023	17.7
262.09656	16.8
293.21304	34.4
565.28003	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03327	5.5
58.00439	0.9
59.01251	27.5
61.36863	0.8
61.98703	1.2
69.03316	3.1
71.01250	10.9
71.58525	1.0
72.24597	0.8
72.99187	1.4
73.02824	6.9
75.00740	1.0
83.01254	1.8
83.04895	1.1
85.02831	6.6
85.06418	0.8
87.00740	2.8
89.02320	7.1
92.69640	0.8
93.03346	3.5
95.04893	1.5
95.66645	0.8
96.95898	1.6
99.00723	1.3
101.02340	8.7
108.02053	2.3
109.02836	3.8
109.06480	1.2
111.08026	5.7
113.02355	5.4
113.05954	5.7
119.03387	1.9
120.59711	1.0
121.02865	2.0
123.04385	3.4
125.06026	0.9
125.09570	1.1
127.11170	3.7
134.06038	1.2
135.04410	6.9
135.08084	1.4
137.09607	7.8
139.11139	1.0
141.09119	2.1
143.11804	1.0
147.04349	1.0
147.08041	1.5
149.02391	0.9
151.03853	2.5
153.01810	1.3
153.09088	2.2
155.10684	8.4
156.11078	1.0
157.08591	1.2
163.03915	2.4
165.05449	3.4
165.09087	2.0
167.03366	1.8
171.10196	6.5
173.04448	3.7
177.01900	1.4
177.05502	3.0
179.03413	1.8
179.06989	1.0
180.06544	3.0
181.12122	1.2
185.11841	0.9
187.09659	1.2
191.05527	3.8
195.06555	1.5
201.11250	3.9
203.12708	1.0
215.12901	1.3
217.10780	3.5
224.02338	0.9
227.12596	0.9
229.10774	14.5
229.69965	1.0
241.04999	1.1
245.13858	3.3
266.11911	1.9
271.02609	1.1
317.10321	1.3
327.13629	1.4
328.12024	1.1
337.15134	1.1
384.23007	1.1
389.25299	0.9
391.26270	1.1
391.42099	1.0
397.09180	1.0
403.23578	2.2
404.14673	0.8
445.24207	1.6
472.15247	2.4
475.18576	1.4
487.18701	1.5
492.39700	1.0
505.20026	2.1
505.26453	1.6
521.16663	2.8
521.25861	2.3
535.20135	1.8
548.16254	1.3
565.28717	100.0
566.29144	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14380	19.8
57.15125	19.5
58.68420	16.9
59.01254	63.9
60.08298	15.0
61.98722	24.6
78.95792	39.9
85.02822	27.1
93.03356	17.9
93.38432	18.4
98.20563	48.4
125.09676	17.9
135.04414	20.2
155.52100	17.5
191.05531	20.0
219.10190	73.3
229.14432	37.1
237.11261	100.0
269.21179	17.7
288.31845	17.3
293.21304	22.5
449.18729	22.0
547.32758	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27479	35.0
59.01248	78.9
70.79818	100.0
71.01231	29.7
75.86965	29.2
76.16173	31.9
77.53458	26.5
78.95781	63.9
83.00365	30.0
93.03336	44.2
96.95952	37.0
110.98406	79.1
122.14700	33.6
127.16119	31.2
157.24008	45.7
163.43228	31.0
171.10260	39.0
213.11383	44.5
228.40030	32.3
237.11218	38.8
239.50111	37.4
254.85521	40.8
307.19507	59.1
394.39444	31.5
401.40768	37.5
403.71567	34.6
496.51459	38.7
558.08118	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03314	3.2
58.00467	1.5
59.01249	63.9
69.30072	1.4
69.80696	7.7
71.01247	20.9
72.99171	2.0
73.02817	9.5
75.00748	3.3
83.01253	1.6
84.79648	1.5
85.02821	7.9
87.00755	9.5
87.04390	6.6
89.02321	13.7
93.03316	2.4
95.04899	1.8
96.95872	1.8
99.04389	7.2
101.02329	8.1
102.01852	1.6
109.06432	1.3
113.02330	9.1
116.92760	2.7
119.03372	1.8
123.04395	1.3
125.02361	1.4
127.86407	1.2
130.37675	1.3
131.03355	2.3
133.04956	65.2
135.04385	4.0
137.02364	1.8
147.49791	1.5
151.00299	1.7
153.01854	3.1
153.75768	1.6
161.04547	1.7
165.12692	3.6
173.04446	2.9
175.04022	1.9
175.06044	2.0
191.05547	4.9
201.11288	1.6
205.07050	2.3
207.13789	7.4
209.11794	16.9
210.12154	1.7
225.14943	5.0
241.05130	1.6
251.12869	4.5
263.25146	1.4
269.13934	100.0
270.14264	6.3
299.01880	1.7
343.14355	1.5
389.16052	6.0
403.23398	3.5
449.20468	3.6
505.33743	4.3
521.25861	5.5
565.24463	36.8
566.25464	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61114	1.0
51.83540	1.1
54.70025	1.2
55.01739	1.2
57.03323	3.2
59.01252	100.0
61.98709	2.9
65.08344	1.2
69.38048	1.0
71.01254	15.3
72.99189	3.4
73.02817	8.1
75.00770	1.8
83.01261	4.4
85.02816	10.8
87.00774	3.1
89.02318	8.1
93.03322	2.0
96.95911	2.2
97.02792	2.2
97.06557	1.3
99.00746	2.5
99.04388	1.2
101.02331	13.7
108.02091	2.7
109.02865	3.8
111.04395	1.2
113.02348	7.9
117.47079	1.1
119.03399	2.9
121.02856	3.4
123.00844	1.3
123.04424	4.1
135.04436	2.5
137.02313	2.9
139.00215	1.4
145.02835	1.4
147.04480	1.8
148.01563	1.7
149.02437	1.8
151.00246	2.9
152.01056	1.8
153.01811	3.4
154.35220	1.1
161.02379	3.0
161.04491	2.4
163.03867	1.2
166.02615	1.2
166.99774	1.6
173.04446	2.2
191.03593	1.3
191.05498	5.9
194.00929	2.2
207.02884	3.3
230.28215	1.4
230.30746	1.3
235.02448	3.5
235.76521	1.2
239.16620	2.1
243.02983	1.6
271.02478	3.8
272.02829	1.2
287.01813	1.3
299.01959	2.9
300.02536	2.2
316.02213	6.4
317.02957	3.9
320.14478	1.6
359.15244	2.8
383.20596	5.0
385.12653	2.1
387.07220	3.1
391.26984	2.3
401.21954	4.3
403.23233	2.2
403.32172	1.4
445.24649	1.7
479.25009	4.0
503.25183	5.5
521.09521	7.2
521.25995	76.5
522.09418	2.6
522.26404	9.7
547.27618	1.4
565.19409	1.9
565.29108	14.0
566.28851	1.8
583.43854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82589	1.0
52.99747	0.9
55.27915	1.0
57.03326	1.3
59.01255	32.1
65.53043	1.0
69.46625	3.6
69.47051	5.6
69.51328	1.0
71.01257	13.7
72.99185	1.3
73.02824	1.8
80.04935	1.3
85.02811	4.0
87.00746	1.8
89.02313	5.1
93.03368	1.1
96.95889	1.2
99.04391	2.0
101.02302	5.6
108.02080	1.3
109.02825	2.5
113.02335	2.5
115.00224	2.6
116.04947	1.2
119.03441	1.7
122.06021	5.0
123.04375	1.2
124.07581	1.5
132.04443	9.9
133.01205	1.1
134.05930	1.2
135.04401	1.3
144.79942	1.2
147.03131	3.2
148.03917	1.7
150.05511	2.9
152.01132	1.0
153.01913	1.1
158.02370	4.9
160.03946	8.4
161.04523	1.8
162.05502	3.2
175.03891	1.3
176.03423	6.9
176.07089	3.2
190.05042	15.4
190.94109	1.0
191.05556	4.3
192.06595	1.4
202.05075	1.3
204.02890	1.1
207.13759	2.9
209.07173	1.5
209.11772	6.7
211.08731	1.7
211.12370	3.0
212.10835	2.2
213.06569	1.3
215.11752	2.7
220.02525	1.2
223.08614	1.8
224.09479	7.1
226.07393	3.2
227.08167	4.5
231.12360	1.4
234.03944	1.8
235.04761	1.3
239.04535	1.3
239.08119	2.9
239.11879	18.1
240.10164	4.6
241.09943	6.6
250.07426	2.2
253.06174	14.2
253.09795	2.5
255.07544	3.2
255.11395	5.7
256.08530	1.5
265.09821	3.9
266.06943	1.4
267.07767	8.8
268.08597	7.8
269.13947	20.2
281.09329	10.3
283.10873	54.4
284.11221	4.6
287.14810	1.2
309.08792	26.3
310.09070	1.7
327.09872	39.0
328.10168	4.7
341.11111	6.1
342.12183	1.5
353.07916	1.7
359.12436	4.6
369.11063	1.3
371.08850	45.8
371.13531	2.6
372.09012	4.2
403.11441	100.0
404.11664	11.1
405.24948	1.8
449.20340	21.3
450.20575	2.6
489.14981	3.1
505.14978	1.5
521.26001	8.6
533.14252	16.0
534.14020	2.0
565.16559	23.5
565.28430	5.4
566.16907	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85576	0.1
59.01245	0.4
65.72000	0.1
66.78381	0.1
70.23902	0.2
70.24297	0.2
71.01247	0.3
72.99158	0.1
85.02805	0.1
86.75024	0.1
87.00730	0.1
89.02318	0.2
93.03334	0.1
96.95896	0.2
98.19826	0.1
101.02341	0.2
109.02850	0.1
112.58326	0.1
113.02322	0.2
119.03355	0.1
129.06921	0.1
133.02901	0.1
143.04982	0.1
145.06432	0.1
147.30336	0.1
154.04195	0.1
155.04901	0.1
157.02847	1.5
158.03452	0.2
161.04442	0.1
167.04968	0.1
168.05670	0.1
169.06464	0.4
171.04405	0.4
172.05185	0.1
173.04552	0.2
173.05960	1.1
178.51299	0.1
178.62865	0.1
183.04408	0.1
185.06038	0.1
191.05533	0.2
195.04375	0.4
196.05212	1.7
197.06017	2.9
198.03139	0.3
198.06412	0.2
199.03937	5.1
200.04283	0.2
211.03944	0.5
212.04710	0.9
213.05429	0.2
239.03398	0.3
240.04254	4.5
241.05017	100.0
242.05353	6.6
283.06277	0.1
403.10339	1.6
403.15781	0.1
404.10614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07325	3.3
59.01254	22.7
65.00201	10.6
65.35094	4.3
69.38786	36.4
71.01247	10.7
73.02833	5.7
74.16257	3.5
83.01257	8.0
85.02770	4.4
93.03315	8.1
95.01275	5.6
101.02358	5.4
107.01259	11.2
108.02060	4.7
111.00771	16.3
117.03358	8.3
123.00769	5.7
123.04496	3.7
125.02385	4.5
132.02054	7.2
136.98672	3.7
137.02350	5.3
137.99535	3.4
139.00272	27.1
151.00272	32.0
151.03954	4.6
152.01088	3.8
152.26889	3.5
153.01865	6.5
153.98907	3.7
154.99739	7.0
165.99037	6.9
166.99730	5.1
169.01323	4.1
171.04378	9.6
173.06013	4.5
175.03746	4.9
178.99837	28.8
181.98486	7.4
183.04349	5.6
187.04053	5.9
199.03911	5.2
201.05594	6.4
203.03493	4.4
204.00603	4.5
206.99245	7.5
209.00908	7.2
211.04041	3.9
215.03435	6.0
217.05028	12.0
222.98776	4.5
227.03439	12.4
231.02954	9.2
243.03027	12.9
245.04550	7.6
255.03012	31.5
270.01709	9.6
271.02444	48.2
272.03064	11.1
273.04010	14.7
283.02295	5.0
284.03156	9.3
285.03958	9.2
287.02014	23.1
299.01978	100.0
300.02411	15.8
316.02216	63.2
317.03015	37.9
355.98697	3.9
401.07089	8.3
409.07770	10.1
479.07538	7.6
504.24930	6.1
521.09369	85.6
521.26007	8.4
522.09766	13.7
565.28558	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88985	0.9
57.03319	0.9
59.01252	6.9
60.78205	0.7
64.08185	0.8
65.00198	3.3
70.88527	1.0
71.01250	2.2
71.36493	0.9
72.66275	0.9
83.01279	1.6
87.00739	1.1
89.02321	2.1
95.01270	2.4
98.20653	1.6
99.00753	1.4
107.01271	2.7
108.99264	1.0
109.02837	3.8
109.99992	14.1
111.00755	6.2
116.92706	1.3
121.02792	2.3
123.00753	3.7
124.01557	1.4
124.98611	0.9
125.02333	2.5
130.86507	0.9
135.04419	1.5
136.98683	2.1
137.02290	2.1
137.99567	4.7
139.00272	18.2
139.03822	1.0
145.02843	1.3
147.04407	1.0
148.01552	1.8
149.02354	1.7
151.00253	8.0
152.01022	2.7
159.04492	1.5
161.02284	1.6
163.00266	1.8
164.00964	1.2
164.98167	1.3
165.05476	1.7
165.98997	15.6
166.02669	0.9
166.99780	7.6
171.04393	1.9
173.02306	1.4
174.01692	1.5
174.03120	1.1
177.01930	1.1
178.99785	13.7
186.03020	1.0
187.03891	1.3
187.27989	1.0
191.03488	0.9
191.05431	1.2
193.98499	1.4
194.00754	1.3
194.99280	2.8
198.03142	3.2
199.03931	4.2
201.01831	3.2
203.03389	1.0
206.99187	1.4
207.99846	0.9
214.02678	1.6
215.03421	3.5
216.04160	0.9
226.02708	1.9
227.03459	5.6
231.02890	3.1
232.03595	1.2
242.02177	5.6
243.02989	9.1
244.03496	2.1
255.02899	3.2
258.56027	0.9
259.02441	5.9
260.02954	1.0
270.01703	8.8
271.02463	47.2
272.03049	6.2
273.03952	3.4
283.10791	1.3
287.01978	39.2
288.02502	4.3
298.00879	1.6
298.98657	1.7
299.01944	23.1
300.02386	4.4
301.03766	1.6
316.02231	78.9
317.02939	39.0
318.03299	3.5
345.90268	0.9
361.16519	7.6
403.11084	1.6
469.21179	1.0
479.08417	4.6
521.09332	100.0
521.25916	3.8
522.09766	14.9
565.27679	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.8
59.17911	1.1
69.28934	12.0
71.01259	3.3
77.18536	1.3
78.95778	16.7
85.02818	2.3
89.02323	1.9
96.96835	1.4
101.02319	2.5
116.63506	1.0
125.58228	1.0
152.99489	17.3
171.00502	3.2
171.10196	2.2
183.94345	1.1
189.40469	1.0
192.97475	1.2
194.26955	1.3
235.08113	1.9
239.12943	1.5
245.04318	12.8
253.09282	12.1
253.21683	5.6
267.01251	2.5
267.23291	100.0
268.23584	8.6
291.19803	2.6
393.37958	1.1
481.25702	30.7
482.25873	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23336	1.0
59.01247	15.6
67.63426	1.3
71.01268	3.8
71.57988	1.4
71.58363	2.0
77.17329	1.2
78.95779	16.8
85.02840	2.1
87.00764	1.7
89.02316	1.6
96.96883	1.9
101.02351	3.4
107.07139	1.2
143.46080	1.1
145.40846	1.2
152.99509	17.3
161.04472	1.2
169.50627	1.3
171.00565	3.2
171.10185	4.2
220.34810	1.2
221.11865	2.4
235.08226	2.0
245.04254	14.7
253.09265	10.7
253.21703	9.7
267.01309	1.9
267.23294	100.0
268.23685	8.2
291.19757	2.9
426.24954	1.3
481.25760	22.7
482.25897	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0475
Annotation	Udpgal
Peak:m/z	Relative Intensity
51.13408	0.5
56.08129	0.4
63.97530	0.6
76.42102	0.5
78.95776	100.0
92.07899	0.6
96.96842	35.4
100.55412	0.5
104.55314	0.6
107.75304	0.4
111.01893	7.5
120.96852	2.1
138.97937	3.4
150.97935	3.1
158.92456	15.0
174.97966	1.2
176.93491	1.7
192.99011	1.2
211.00072	5.9
216.85699	0.6
229.67648	0.5
241.01160	10.9
242.01607	0.6
259.02350	0.7
272.95724	3.8
280.02307	1.8
305.01791	1.4
320.97842	3.2
323.02841	82.2
324.03113	4.4
354.79556	0.6
384.98563	6.0
402.99426	2.1
526.74200	0.6
565.04639	17.6
565.12933	1.1
566.05127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.0
59.01257	28.0
61.98705	10.0
62.54273	1.7
69.62585	11.9
71.01256	32.5
73.02816	13.4
74.83072	1.6
75.00714	2.0
81.85386	1.7
83.01257	2.3
85.02818	16.8
89.02313	16.1
90.02602	1.8
93.03323	2.7
95.01250	1.8
97.02861	2.3
99.00762	6.5
101.02328	27.6
101.09016	1.6
109.02866	2.0
113.02345	13.7
125.02335	4.8
149.04465	3.4
159.02826	2.6
161.04475	8.4
173.04482	3.8
191.05534	5.3
219.06467	2.1
233.06458	2.2
348.81152	1.8
352.34143	1.8
371.20755	18.1
372.20847	2.5
389.25208	2.1
503.24985	100.0
504.25430	14.8
569.10321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.1
56.79297	0.6
57.03325	5.0
58.00470	1.5
59.01251	81.6
60.01587	1.8
61.98706	1.6
67.01768	1.5
68.32983	0.6
68.99686	0.6
69.03316	2.7
71.01256	29.9
71.04914	1.0
72.99168	3.3
73.02819	9.2
75.00733	0.8
78.95772	0.9
81.03326	1.1
83.01260	5.7
83.04888	1.5
84.02042	1.0
84.83614	0.6
85.02822	21.4
86.04794	0.8
87.00739	5.8
87.04340	0.9
89.02317	12.1
93.03346	10.1
94.03685	0.7
95.01254	2.2
95.04875	0.9
97.02821	1.5
97.06475	4.2
99.00764	2.7
99.04398	1.1
101.02324	21.2
108.02082	1.0
109.02826	2.7
111.00749	2.4
111.04397	2.6
113.02333	16.8
115.03930	1.0
119.03367	4.1
119.04915	0.9
121.02855	1.2
123.04381	0.8
123.08117	0.9
124.01575	0.7
125.02335	2.1
125.09604	1.0
127.03899	0.9
127.11168	1.0
128.91811	0.6
129.01854	1.0
133.02859	1.0
134.03633	1.4
135.04442	7.2
137.02341	2.3
137.09602	2.4
143.03398	2.4
149.05934	1.4
151.03918	1.3
152.01019	0.8
153.01819	2.0
155.03423	1.8
155.10660	1.0
157.08623	1.2
159.02943	1.4
159.04329	0.7
161.04478	9.1
161.05862	1.6
165.12729	1.2
167.10689	0.7
171.10179	15.7
172.05307	1.1
173.04485	14.6
173.05846	0.9
175.03886	1.0
175.07614	0.9
177.01866	1.0
177.36223	0.6
179.03403	0.8
179.05511	1.7
179.07076	2.1
183.13818	5.7
187.03931	0.9
187.07600	0.8
191.05540	33.4
192.05910	1.8
193.08495	0.8
201.11177	0.9
209.11784	1.6
211.13339	15.6
214.06187	0.8
221.11806	2.2
229.14412	9.8
230.09431	0.9
239.12906	2.4
247.09639	0.9
253.09267	34.1
254.09615	1.7
283.13416	1.5
291.19498	3.2
301.14359	1.1
302.59241	0.6
309.14932	2.5
309.20648	1.7
327.16339	4.3
327.21759	100.0
328.22113	9.0
329.13977	1.2
341.27054	1.6
345.16791	4.6
347.20688	1.9
353.13971	2.2
359.15128	2.5
359.28128	5.0
371.14972	11.4
372.15262	1.9
379.31082	0.7
389.16238	4.0
389.25232	1.0
390.16010	1.1
401.25433	0.8
473.31061	0.8
503.32312	29.7
504.32828	3.6
521.33374	11.2
522.33832	1.2
563.21198	6.4
563.30841	13.8
564.22015	0.8
564.30786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.9
58.00475	1.7
59.01251	35.2
71.01256	47.2
71.57845	2.1
72.99185	52.3
73.02821	6.3
75.00747	36.8
83.01250	3.0
83.10114	1.5
85.02820	21.6
87.00756	23.8
87.04352	1.3
89.02321	23.0
89.81723	1.3
95.01226	3.3
96.95859	1.7
97.02815	3.9
99.00750	6.0
101.02319	18.7
103.00240	2.9
105.01819	76.8
108.09257	1.4
109.02797	2.4
109.06480	1.8
111.00742	1.9
111.04398	1.5
113.02332	19.7
113.05983	6.4
115.00257	3.4
117.89968	1.4
119.03378	10.4
123.07993	1.5
127.07555	1.4
129.01814	5.3
131.03407	2.6
135.02896	7.7
143.03413	2.2
157.08679	1.3
161.04527	6.6
163.07587	2.3
173.04567	1.3
174.19359	1.5
175.02386	12.5
179.05547	5.7
179.10667	1.8
189.12779	4.8
191.05569	4.2
203.10704	2.2
207.13931	2.6
216.10864	2.0
221.11841	8.3
387.20190	2.8
435.12250	1.3
445.20926	2.3
533.22192	2.6
545.22565	2.1
563.23431	100.0
564.24084	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.96757	9.5
69.54307	22.3
69.54721	65.2
71.01250	20.6
72.53327	8.9
75.33352	8.8
89.02286	10.6
93.03337	28.2
96.95889	13.5
98.20538	20.4
100.83891	9.2
101.73186	9.5
109.02827	10.8
129.72137	8.1
130.97525	10.5
135.04387	34.6
144.38881	9.1
170.91612	12.2
173.04486	29.0
191.05479	42.5
291.19614	43.0
345.13925	18.2
563.34174	23.0
566.65350	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.9
59.01254	23.3
60.01569	0.8
60.99166	0.8
65.03835	2.0
66.96871	0.7
67.01777	4.6
69.03342	1.1
70.91901	2.3
71.01264	7.4
72.99190	4.7
73.02809	2.7
74.63407	0.8
81.03345	1.1
83.01261	1.0
83.04900	1.6
85.02819	8.7
87.00756	4.8
89.02321	2.8
91.05407	9.8
93.03333	25.6
95.01258	1.0
97.06490	0.8
97.15394	0.7
99.00758	1.3
101.02332	3.9
105.03364	1.0
106.71309	0.8
108.02058	2.1
109.02835	15.3
109.76138	0.8
111.00791	1.8
111.04396	5.0
113.02323	2.8
118.31983	0.8
119.78281	0.7
121.02834	11.7
122.03635	1.2
124.01588	1.6
127.03916	1.8
132.02040	1.0
133.02863	11.5
134.03659	9.9
135.04414	100.0
136.04709	4.0
137.02368	4.6
139.03877	0.7
147.04420	2.2
148.05211	7.6
150.03073	1.5
151.03906	1.9
152.01062	1.0
155.03407	2.9
159.04483	1.8
159.36884	0.8
160.01596	2.5
160.04005	0.7
160.05136	3.5
161.02324	1.1
161.05925	2.1
163.07581	5.3
167.07130	1.0
171.10196	0.9
172.05318	1.0
173.04485	30.8
173.05881	1.7
174.03218	1.8
174.04837	1.6
175.03928	0.9
175.07581	10.3
177.01869	5.3
178.02649	6.9
179.03386	2.8
180.04187	1.0
187.03946	0.8
187.07614	1.9
189.05510	0.9
191.05542	60.1
192.05841	3.6
193.08632	17.8
194.09062	0.8
201.09166	0.9
203.07095	2.8
211.13373	6.0
214.06270	0.9
215.06985	2.1
218.09395	0.9
227.07083	2.5
229.08679	0.8
230.09372	0.9
232.07346	1.3
233.08185	1.5
247.09779	3.1
248.10498	0.8
253.09348	1.0
274.08481	0.9
283.13251	1.1
297.11334	4.9
299.16544	2.2
307.08444	1.0
308.09027	2.5
309.15005	1.3
315.12399	29.1
316.12625	2.5
325.14429	1.7
327.16043	6.1
327.21683	4.1
343.15598	1.8
345.16998	9.2
346.17505	1.4
351.07047	2.3
352.07840	1.5
371.14990	14.6
372.15497	1.5
389.15994	6.6
423.12888	1.2
503.32269	3.3
519.18713	13.9
520.19330	2.5
521.33356	2.2
563.21429	12.5
563.34369	1.8
564.21362	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07719	2.3
59.01252	39.6
62.77617	2.3
65.03838	3.8
71.01265	12.9
71.45369	5.3
73.02822	5.1
75.68951	2.3
78.31238	2.4
85.02812	9.5
88.07660	2.7
89.02311	4.5
91.05411	8.5
93.03357	3.7
99.00750	3.7
101.01659	2.3
101.02328	6.4
109.02831	15.5
113.02327	4.3
121.02851	8.7
134.03638	3.1
135.04417	100.0
136.04710	4.1
137.09422	2.4
160.05190	4.6
161.04526	3.0
173.04398	7.6
175.07527	6.5
191.05540	33.5
193.08606	15.7
221.17838	2.5
277.78027	2.4
283.13391	5.7
296.06531	2.5
315.12350	57.4
336.32501	2.7
345.16650	3.4
351.43549	3.0
359.28058	4.2
371.15042	15.5
503.32553	15.6
519.18811	4.3
521.33435	5.1
563.21136	5.7
563.34467	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	67.6
65.77851	7.1
69.53748	73.3
71.01247	28.8
73.02831	35.0
76.78958	7.6
79.79126	7.1
85.02822	9.3
89.02345	10.4
91.05417	9.9
91.09332	7.1
93.03313	55.0
98.20483	10.1
101.02345	35.4
109.02829	9.4
111.99670	8.0
121.02849	9.4
133.02884	19.5
134.03616	13.7
135.04393	83.5
147.90852	8.2
155.03410	10.1
159.44104	8.0
173.04486	62.5
178.02666	19.2
186.73961	8.6
191.03905	13.6
191.05507	100.0
211.13428	12.0
301.13510	8.5
308.09058	10.1
327.16116	18.2
345.17004	12.2
359.28003	11.2
371.14914	14.5
389.16528	10.2
563.21143	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	3.9
57.03328	2.8
58.00467	0.9
59.01253	100.0
60.01580	1.9
65.03834	1.3
67.01769	1.1
69.03333	2.9
69.59538	5.1
71.01257	23.0
72.01591	0.8
72.99182	3.6
73.02824	10.1
75.00757	0.8
81.03352	1.7
82.35777	0.7
83.01273	3.8
85.02824	10.0
87.00771	3.0
89.02318	9.5
91.05414	7.0
93.03336	33.9
94.03677	1.7
95.01276	1.9
96.28311	0.7
97.02845	2.5
97.06490	0.7
99.00778	2.9
101.02323	17.7
102.02661	1.3
105.49934	0.7
107.04948	2.0
108.02072	2.2
109.02843	8.2
111.04425	2.3
113.02330	8.6
119.03386	2.0
121.02844	14.5
121.03662	1.1
123.04441	1.6
123.08094	1.8
125.02346	8.0
127.03910	1.7
127.31722	0.7
129.01823	0.8
131.03383	5.4
133.02840	4.2
134.03635	3.3
135.04419	46.9
136.04814	1.3
137.02342	22.8
138.02682	1.2
139.11208	0.9
143.03430	1.9
147.04460	1.9
148.05206	0.9
149.04594	0.7
149.06007	3.0
151.03900	1.3
155.03412	1.6
160.05212	1.3
161.04514	3.1
161.06038	7.1
162.06374	0.9
163.07639	2.0
172.50320	0.7
173.04469	12.3
173.05873	0.7
175.07591	2.1
177.01845	1.7
178.02644	2.4
179.03508	2.8
191.05534	19.3
192.05934	0.8
193.08716	3.2
194.08943	0.8
197.06073	3.0
199.07610	2.1
199.13377	3.8
200.13713	2.0
201.05679	0.8
203.07112	1.6
205.08578	0.7
211.13411	2.7
219.10117	1.6
227.07083	30.3
228.07477	1.9
229.08763	0.9
230.09438	1.0
232.07408	1.1
233.06598	1.5
245.19044	0.9
246.19507	1.1
246.85585	0.8
247.09584	0.8
253.09364	2.6
254.09602	1.2
255.09689	1.5
275.07712	11.2
281.06415	0.8
289.18155	4.7
290.18381	7.7
291.18878	2.1
293.08905	2.1
297.11258	1.2
307.19122	6.7
308.19415	10.7
308.22318	0.7
309.19955	3.2
327.16214	3.8
327.22134	1.4
335.09839	2.0
341.13959	10.3
341.42575	0.7
345.17102	5.2
360.94434	0.7
371.14871	4.7
389.16232	2.3
395.09924	3.6
413.11032	1.6
441.17758	5.0
502.31296	3.2
503.32153	3.1
520.31897	0.9
521.32581	0.9
562.29321	14.3
563.21649	20.1
563.30292	10.7
564.21887	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09797	0.3
59.01264	0.6
59.22923	0.4
69.94794	0.8
69.95208	1.1
72.05499	0.4
78.47697	0.4
78.95776	10.7
85.06469	2.1
96.95843	0.4
99.55019	0.3
133.90578	0.4
140.01082	3.0
152.99506	1.2
196.03773	1.2
199.13362	1.5
214.04741	3.9
261.18494	0.9
279.19672	18.0
280.19992	1.8
298.25635	0.3
347.25922	6.6
348.26218	0.6
365.26947	100.0
366.27246	10.7
562.31470	14.7
563.31866	2.0
580.60248	0.4
583.75909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	3.0
59.01250	82.4
60.99186	5.7
67.58678	1.9
69.64321	5.7
69.64720	6.2
71.01252	27.3
72.99175	55.5
74.35364	2.0
75.00759	7.5
80.06344	1.9
85.02806	2.4
87.00746	12.5
88.49562	2.0
89.02316	100.0
99.00769	8.0
101.02324	3.3
105.01814	3.5
108.02022	2.2
111.00719	2.4
115.00257	14.4
117.01826	67.3
133.01332	54.6
135.02895	12.6
145.01360	17.8
153.05412	2.2
161.00838	9.0
161.02214	2.9
163.03925	2.5
166.02615	2.5
171.63393	2.2
173.00854	8.1
175.04041	2.2
178.06296	2.5
179.07050	2.5
191.03461	3.4
191.05521	4.9
193.08476	3.1
194.05829	5.3
209.08171	5.7
221.02931	18.4
234.05321	2.4
238.15993	2.0
244.03857	2.1
262.04926	5.1
265.09399	3.3
276.06195	2.1
277.07120	8.1
337.09344	7.5
341.11038	2.6
411.33548	2.2
563.15930	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39848	0.7
59.01252	10.7
65.03836	2.4
67.01765	1.0
70.44382	0.6
70.55287	2.1
70.55633	0.7
71.01263	2.2
73.02832	1.4
73.54673	0.7
78.95736	0.8
85.02829	1.8
87.00740	0.8
89.02293	0.9
91.05417	11.8
93.03339	4.5
101.02328	1.5
109.02840	15.8
113.02342	1.3
121.02848	11.2
122.60902	0.7
127.03873	0.7
134.03636	0.9
135.04414	100.0
136.04718	3.7
147.04472	2.3
148.05212	4.5
159.04404	0.7
160.05199	3.3
163.07603	4.2
167.07045	0.8
173.04457	3.0
175.07587	5.9
178.02699	0.6
191.05521	8.0
191.07111	0.7
193.08629	16.9
194.08949	1.0
253.09497	0.7
257.18579	0.7
297.11264	0.8
299.16638	0.9
315.12393	54.6
316.12799	4.3
327.16064	1.4
327.21552	0.7
345.17197	3.4
363.39020	0.7
371.14987	2.8
389.16251	1.0
503.32193	3.1
519.18768	2.5
521.33362	2.0
550.40820	0.8
563.21527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.5
55.03490	0.6
59.01247	1.9
60.69448	0.6
61.98698	1.0
70.02248	2.7
70.02590	0.7
78.95778	36.1
79.88729	0.6
85.06461	1.1
96.95870	0.9
140.01065	9.9
152.99554	2.9
165.12698	1.0
181.12198	1.1
191.05516	1.2
196.03734	15.6
199.13333	24.1
200.13654	0.9
214.04765	3.7
248.01639	0.6
261.18631	0.8
279.19690	7.5
336.04016	0.7
347.25943	6.8
348.25854	0.9
363.25232	0.9
365.26950	100.0
366.27310	10.7
395.27872	0.7
414.80682	0.7
435.38904	0.7
441.25977	0.7
526.07935	0.8
562.31464	45.9
563.31903	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.1
57.03308	4.6
58.00454	2.6
59.01253	54.4
70.35297	3.4
71.01253	26.8
72.99181	2.1
73.02811	4.4
83.01254	3.8
84.61272	1.0
85.02824	10.5
85.56813	1.0
87.00737	3.6
89.02328	20.0
93.03304	1.9
95.01269	1.7
95.04910	1.1
99.00755	1.4
101.01682	1.9
101.02328	20.6
107.04919	1.8
107.75441	1.0
109.02881	1.5
109.06470	1.7
109.23335	1.3
110.03623	1.8
113.02328	10.8
119.03362	4.0
121.06500	2.5
123.04416	4.9
123.08035	9.2
125.02323	1.6
125.09608	2.3
131.03387	1.1
135.04402	1.9
139.11229	4.7
142.02615	1.3
143.03377	1.5
149.05957	1.5
149.09573	2.2
151.11116	3.2
155.14307	1.9
161.04465	6.1
177.12682	1.4
179.05496	2.5
189.09079	1.0
191.05490	5.4
193.08623	3.0
199.13336	22.7
201.11259	2.5
213.11292	1.6
219.10220	5.8
221.11745	1.6
238.12044	1.1
239.12849	1.4
245.19121	7.0
253.09242	24.7
254.09471	1.2
267.23428	1.1
271.16998	2.2
289.18106	58.0
290.18469	7.5
307.19159	90.1
308.19449	8.6
325.20261	5.5
331.19345	1.2
337.95422	1.2
369.13232	1.4
391.21060	1.5
399.17966	3.7
479.30988	1.2
481.52399	1.1
494.24243	1.2
501.30826	7.1
502.30328	1.6
519.31732	1.8
561.29071	100.0
562.29431	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.1
57.03308	4.6
58.00454	2.6
59.01253	54.4
70.35297	3.4
71.01253	26.8
72.99181	2.1
73.02811	4.4
83.01254	3.8
84.61272	1.0
85.02824	10.5
85.56813	1.0
87.00737	3.6
89.02328	20.0
93.03304	1.9
95.01269	1.7
95.04910	1.1
99.00755	1.4
101.01682	1.9
101.02328	20.6
107.04919	1.8
107.75441	1.0
109.02881	1.5
109.06470	1.7
109.23335	1.3
110.03623	1.8
113.02328	10.8
119.03362	4.0
121.06500	2.5
123.04416	4.9
123.08035	9.2
125.02323	1.6
125.09608	2.3
131.03387	1.1
135.04402	1.9
139.11229	4.7
142.02615	1.3
143.03377	1.5
149.05957	1.5
149.09573	2.2
151.11116	3.2
155.14307	1.9
161.04465	6.1
177.12682	1.4
179.05496	2.5
189.09079	1.0
191.05490	5.4
193.08623	3.0
199.13336	22.7
201.11259	2.5
213.11292	1.6
219.10220	5.8
221.11745	1.6
238.12044	1.1
239.12849	1.4
245.19121	7.0
253.09242	24.7
254.09471	1.2
267.23428	1.1
271.16998	2.2
289.18106	58.0
290.18469	7.5
307.19159	90.1
308.19449	8.6
325.20261	5.5
331.19345	1.2
337.95422	1.2
369.13232	1.4
391.21060	1.5
399.17966	3.7
479.30988	1.2
481.52399	1.1
494.24243	1.2
501.30826	7.1
502.30328	1.6
519.31732	1.8
561.29071	100.0
562.29431	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39462	5.2
52.74797	5.3
57.03332	15.2
59.01254	83.2
61.98719	5.4
63.10572	5.4
69.76202	38.9
71.01264	34.3
71.94193	6.4
73.02809	9.1
77.71237	5.3
80.02570	5.2
80.79433	6.7
81.03339	8.1
82.59662	5.5
83.01264	13.1
83.04887	9.5
85.02824	31.1
87.00744	5.9
88.98631	7.3
89.02318	19.2
92.78270	6.0
93.03349	19.3
96.95909	13.8
97.06477	17.7
98.19924	8.8
101.02330	27.4
109.02834	24.6
109.06432	6.1
111.04397	6.4
113.02325	11.1
119.04962	6.7
121.02851	7.2
123.04431	12.4
123.08016	7.3
125.09617	24.2
130.81926	6.2
134.03592	7.3
135.04434	42.5
137.02310	18.6
137.09634	7.2
147.04448	9.3
149.05939	28.8
151.03920	7.5
161.04492	10.5
163.11143	16.5
165.12753	9.2
167.10727	6.4
171.10225	12.2
173.04456	33.5
177.09126	21.1
178.99805	5.9
180.57484	5.1
185.11755	25.0
189.09122	9.5
191.05545	100.0
191.14333	20.4
203.10719	58.0
209.11752	36.7
211.13474	6.8
234.12543	6.3
235.13402	7.4
237.11234	7.1
245.19075	28.8
253.09268	24.9
263.20230	7.4
287.13046	12.6
289.18100	72.7
290.18448	8.0
307.19250	43.6
308.19547	9.6
309.20819	10.0
339.16037	63.3
357.17044	15.8
494.66211	6.0
516.52704	6.5
561.23450	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	11.7
59.01254	100.0
61.98714	8.4
62.39884	5.6
71.01257	28.3
71.49024	5.5
71.58103	7.7
73.02776	6.7
83.01271	7.2
85.02827	23.3
89.02315	15.3
93.03339	26.4
95.04887	7.7
96.95881	10.5
97.06477	11.9
101.02349	13.9
107.05002	5.6
108.00072	4.8
108.02026	5.5
109.02836	19.6
113.02313	9.2
119.04943	6.5
121.02850	10.8
123.04385	9.3
123.08092	6.2
124.01561	6.5
125.02327	6.3
125.09609	14.5
135.04440	42.6
137.02353	19.1
143.03288	5.7
147.04382	8.7
149.02356	6.9
151.03918	39.6
152.04233	13.1
152.99396	8.3
153.04346	6.5
161.04556	5.6
163.11205	12.2
171.10173	8.5
173.04510	19.6
179.03471	7.1
180.70580	5.3
185.11667	9.4
187.09813	6.1
191.05557	67.5
198.32254	5.1
200.66339	5.7
209.11763	22.2
235.13379	12.0
245.19127	9.2
253.09219	15.9
289.18185	36.9
307.19199	22.8
339.25439	7.3
356.15778	6.4
357.16833	26.2
375.01062	6.5
378.77847	7.5
389.30118	7.0
433.65900	6.4
519.31567	5.9
561.23059	18.3
561.32043	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2351
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
55.49409	0.2
58.00456	0.3
59.01251	17.1
60.01587	0.4
61.98708	0.3
65.03836	3.9
66.12016	0.2
67.01757	0.8
69.03326	0.6
69.93530	1.2
71.01254	12.0
72.99171	0.7
73.02819	12.7
78.95792	0.3
81.03339	0.3
83.01259	3.8
83.01718	0.3
85.02831	1.6
87.00765	0.7
87.04387	0.6
89.02312	2.0
91.05410	16.8
92.05762	0.4
93.03332	4.1
95.01254	0.3
96.95896	1.3
97.02817	0.4
99.00762	0.5
101.02325	9.9
109.02837	20.0
110.03178	0.9
111.04391	0.2
113.02319	2.3
119.03374	0.4
120.79145	0.2
121.02847	8.2
122.03223	0.3
125.02356	0.4
131.03381	0.6
133.02864	0.4
134.03618	0.8
135.04416	100.0
136.04750	3.8
142.18524	0.2
143.03403	0.5
147.04427	2.6
148.04721	0.3
151.03841	0.2
159.04424	0.3
161.04449	1.1
164.70956	0.2
171.10226	0.4
173.04449	0.5
191.05515	1.6
203.05574	0.2
209.11797	0.7
235.13339	2.0
236.13667	0.2
238.80913	0.2
267.06503	0.3
329.61844	0.2
331.64835	0.2
339.16025	3.4
339.24609	0.2
340.16226	0.5
346.02777	0.2
357.17029	2.0
379.17770	0.2
397.18588	0.6
407.96838	0.2
413.17905	0.5
439.19720	7.9
440.20001	1.2
501.21451	1.4
519.22302	3.9
520.22937	0.5
539.26660	0.2
561.23383	26.4
562.23816	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49718	4.2
58.00476	4.6
59.01254	83.2
67.01687	4.1
69.36604	40.6
69.37002	9.4
71.01260	49.9
73.02811	16.4
80.28513	4.7
85.02826	5.8
89.02316	100.0
99.00774	29.6
101.02335	38.4
113.02320	5.9
119.03366	5.7
125.02325	4.2
131.03377	13.4
138.85028	5.2
143.03415	5.7
149.04462	74.4
163.61241	4.5
191.05586	30.0
221.06609	7.8
251.07776	6.8
311.09818	4.4
315.82983	4.5
336.78830	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	69.2
59.17314	3.1
71.01259	48.1
73.02821	13.7
76.17696	3.0
78.91242	2.5
85.02821	9.0
87.00770	3.0
87.21201	3.3
88.83109	2.7
89.02319	100.0
93.03344	9.3
96.95897	16.9
97.02876	3.8
99.00761	22.8
101.02327	30.3
113.02334	7.7
119.03389	5.0
125.02373	3.3
131.03398	13.6
133.02841	12.0
149.04475	78.8
173.04504	10.6
177.01852	8.5
191.05550	27.4
221.06624	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47849	0.8
55.58410	0.9
59.01248	4.1
65.03848	1.4
67.01774	1.1
68.56255	0.9
74.86951	0.9
75.30121	0.7
85.79601	0.9
91.05415	9.9
93.03344	4.2
96.95905	2.5
109.02831	13.5
121.02845	12.2
133.06612	0.9
135.04413	100.0
136.04761	4.2
137.02266	0.8
147.04437	4.1
159.04466	2.6
173.04457	1.1
180.20650	0.9
191.05582	2.1
191.10757	1.1
202.09882	1.1
217.12271	15.4
218.12672	2.0
257.98114	0.8
281.49557	0.9
339.16003	63.0
340.16293	7.2
482.76944	1.0
501.21368	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2344
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
55.01744	0.4
58.00468	0.5
58.82623	0.2
59.01250	15.9
61.98717	0.2
65.03827	3.7
67.01765	0.7
69.03313	0.3
69.63994	0.2
71.01254	10.6
71.04913	0.2
71.06621	0.1
71.58241	0.4
72.99191	0.5
73.02818	13.0
75.00748	0.2
78.95777	0.2
81.03353	0.1
83.01252	3.8
83.04904	0.2
85.02837	1.3
87.00760	0.7
89.02307	2.2
91.05407	17.4
92.05746	0.5
93.03334	3.9
95.01251	0.2
96.95904	0.6
97.02839	0.3
99.00753	0.4
101.02324	10.7
102.02650	0.2
103.56244	0.2
109.02838	18.8
110.03194	0.6
113.02326	2.0
119.03418	0.6
121.02841	9.3
122.03153	0.2
125.02334	0.4
131.03369	0.5
133.02866	0.3
134.03667	0.8
135.04413	100.0
136.04755	4.2
143.03392	0.7
147.04434	3.2
148.04927	0.2
149.04436	0.3
155.03249	0.2
161.04506	1.2
171.10292	0.2
173.04468	0.5
175.00935	0.2
191.05519	2.0
194.09100	0.3
203.05347	0.2
207.10306	0.2
209.11752	0.3
222.08984	0.3
235.13394	2.1
285.46609	0.2
337.39368	0.2
339.12244	0.3
339.16000	3.3
340.16296	0.3
357.17087	1.9
379.17661	0.2
385.78772	0.2
393.19501	0.2
397.18604	0.3
413.17966	0.9
439.19739	9.6
440.20108	1.1
501.21133	1.6
519.22375	3.9
520.22742	0.5
561.23376	32.0
562.23737	5.0
562.32434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88122	0.8
55.01760	1.4
57.03305	1.5
57.76653	1.0
58.00467	1.0
59.01251	100.0
60.01596	1.4
65.33512	0.8
67.01760	1.0
69.03319	2.1
69.35374	8.2
71.01252	40.4
72.01598	0.9
72.99174	1.3
73.02821	55.9
81.03278	0.9
83.01254	14.7
85.02813	7.9
87.00761	4.0
89.02330	10.7
93.03329	3.1
95.01249	1.7
96.95885	4.0
97.02829	1.5
98.20615	1.6
99.00745	1.0
99.87280	0.9
101.02323	51.9
102.02656	1.6
108.02018	4.6
108.66482	0.8
109.02840	2.5
113.02323	16.1
116.92776	1.0
119.03385	6.1
119.84022	0.9
121.02850	3.2
123.04411	6.3
125.02319	2.8
127.76846	0.9
131.03404	5.4
133.02850	1.6
135.04391	3.7
136.01567	12.2
137.02365	1.8
137.40564	1.0
143.03401	4.0
144.19881	1.1
149.04482	5.0
151.03903	17.9
152.04242	1.2
155.03384	2.1
158.17502	0.9
160.01569	1.4
160.05209	1.5
161.02315	2.5
161.04463	13.4
166.02603	1.5
173.04515	3.2
175.03954	1.2
175.07468	1.3
177.01878	2.0
179.03412	2.2
181.04968	2.9
187.03925	1.4
188.04683	1.7
191.03738	1.3
191.05533	15.7
203.05475	1.1
203.07109	6.0
215.05568	1.0
221.06586	1.6
251.07057	1.9
261.05493	1.2
262.06390	1.1
263.07178	2.4
266.38116	0.9
279.06766	4.9
291.06635	2.4
294.09128	2.7
309.11243	10.9
310.11804	1.5
321.11176	1.1
339.12323	10.8
340.12738	1.2
357.09381	1.5
357.13428	15.6
358.13773	1.3
369.09708	1.8
381.13467	2.2
417.15506	2.9
418.03882	1.1
519.32220	1.2
543.18781	2.0
561.29126	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2
Annotation	Saframycin A
Peak:m/z	Relative Intensity
50.67682	0.5
55.01755	1.0
57.03324	2.1
59.01254	22.6
61.98696	1.3
63.41346	0.5
69.03310	0.8
69.55093	4.6
71.01257	13.1
71.04903	0.6
72.99179	1.1
73.02821	4.5
78.67088	0.5
78.95787	1.7
79.95602	1.4
81.03330	1.7
83.01256	2.6
83.04928	1.0
85.02817	9.9
87.00783	1.0
89.02325	4.3
91.05414	0.6
93.03333	4.5
95.01261	3.2
95.04934	0.6
96.95894	58.1
97.02776	0.5
98.19839	0.7
99.00774	1.7
99.04382	0.8
101.02328	7.1
107.04929	0.6
108.02059	53.8
109.02851	35.4
111.04409	1.3
113.02338	5.3
119.03420	2.9
119.04860	0.9
121.02852	1.5
121.06530	0.9
122.03642	0.7
122.15867	0.6
123.00780	1.9
123.04414	1.9
125.02335	1.6
125.05978	1.7
127.03905	0.7
133.02872	0.8
135.00803	1.0
135.04414	6.1
135.98253	1.6
136.05212	1.3
137.02342	2.7
139.07578	1.1
147.04366	0.7
149.05968	0.7
151.00322	0.7
151.03893	2.0
151.07455	1.1
152.01071	66.6
153.01871	21.3
154.02138	0.9
159.03070	0.9
159.04417	2.1
161.02263	0.7
161.04477	2.1
163.03912	1.9
163.07516	0.8
165.01813	1.6
165.52847	0.6
173.04514	2.2
177.01875	0.7
178.99789	1.3
179.03400	0.6
179.05565	0.7
181.33217	0.6
182.71512	0.5
183.13879	2.2
191.05566	8.8
199.07631	0.6
201.09175	0.6
201.12845	2.7
203.10698	1.5
204.11491	1.7
213.42213	0.6
215.07101	2.6
217.01500	0.6
219.13837	3.9
226.43289	0.6
230.09444	1.8
235.09875	1.2
245.11777	1.9
263.12814	1.2
315.07254	10.4
316.07703	0.8
325.09909	0.7
339.12640	0.6
357.13406	1.1
369.13248	1.3
381.22766	1.0
381.53177	0.7
399.10544	1.0
428.82214	0.7
455.03073	0.6
463.21887	2.5
501.16653	1.6
501.30612	2.6
519.31140	1.1
561.19800	100.0
562.20105	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	19.2
69.90206	4.5
71.01264	3.9
73.53513	0.8
78.95799	1.1
83.04876	0.7
85.02766	0.8
89.02313	3.2
96.95914	0.8
101.02332	3.4
101.46198	0.8
113.02336	1.7
119.03410	0.9
120.55193	0.7
161.04472	1.4
188.16994	0.7
190.99858	0.8
235.08145	1.7
253.09262	15.8
254.09535	0.8
263.20148	100.0
264.20520	10.1
416.41602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42339	0.2
59.01251	2.6
59.05766	0.2
59.38170	0.2
70.50912	0.2
71.01251	0.9
71.58352	0.5
72.99172	0.3
73.02821	0.5
79.95602	3.1
85.02807	0.3
89.02353	0.6
93.03347	0.4
96.95888	100.0
97.95805	0.5
101.02309	0.3
104.64542	0.2
108.02078	1.6
109.02828	1.1
113.02360	0.4
114.94756	0.2
125.02328	0.3
137.02423	0.2
151.00261	0.3
152.01013	1.1
153.01645	1.0
154.02202	0.2
173.04501	0.3
178.99786	0.4
191.05519	0.8
300.02725	0.9
301.03482	0.3
463.08508	0.5
560.20581	1.5
561.20306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.0
57.03315	2.7
58.00451	1.5
59.01253	100.0
65.00192	4.7
67.01747	1.5
71.01254	40.3
71.04897	2.0
71.25367	2.9
72.99184	4.4
73.02814	31.8
80.91570	4.5
81.03323	2.2
81.72054	1.4
83.01254	8.2
85.02818	10.7
87.00739	2.5
88.38287	1.6
88.98685	2.8
89.02301	10.4
91.05391	1.9
93.03325	12.3
95.01294	3.6
95.04936	4.1
96.95911	2.9
99.00723	1.8
101.02316	24.6
107.04915	5.6
108.02036	3.0
109.02831	7.0
110.13050	1.6
111.01501	1.5
113.02345	14.7
119.03473	3.2
119.04915	40.4
119.05731	2.8
121.02816	4.7
123.04426	3.8
124.01530	2.1
125.02350	2.5
131.03423	2.3
131.04947	5.2
133.02864	2.6
133.06441	2.0
134.03633	15.8
135.04424	21.3
136.16281	1.6
137.02347	3.4
143.03363	2.2
147.04399	2.0
148.05124	3.3
149.05994	36.6
153.01874	2.5
155.67299	1.6
158.20558	1.5
159.04512	2.3
161.02348	3.6
161.04483	4.4
163.07570	13.2
165.05513	2.9
171.10104	2.0
173.04424	4.9
173.06010	9.5
175.03912	5.2
175.07564	7.1
177.05492	2.2
187.03897	1.7
187.07614	4.2
189.09146	47.4
189.10811	3.4
189.12947	1.7
190.09450	3.1
191.05519	7.7
193.08659	14.0
201.09137	20.5
201.12746	1.6
203.10681	2.0
204.63033	1.8
205.08662	12.4
214.02669	5.3
215.07039	11.3
217.05008	33.1
218.05397	2.3
219.06569	4.0
219.10240	28.0
231.06575	2.2
231.10248	2.7
233.08128	10.0
241.01457	5.9
242.02145	11.1
243.06677	3.4
245.00903	6.9
253.09221	2.2
270.01688	15.7
271.02444	3.4
298.01010	7.8
305.17657	2.5
323.18820	2.2
327.12357	10.6
337.10767	74.9
337.14526	23.1
338.11081	7.5
338.14841	3.9
339.12302	4.6
355.11670	12.6
355.15515	56.9
355.25024	3.4
356.15924	8.1
396.08426	4.8
499.19971	6.0
499.28940	8.4
517.20630	4.4
517.29987	2.4
559.17407	34.9
559.31311	18.4
560.17999	5.6
560.30975	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47788	0.2
57.73961	0.3
59.01254	0.5
65.03828	2.1
67.01744	0.5
69.26676	2.7
69.27005	0.4
71.15829	0.2
72.62548	0.2
81.39291	0.2
90.49435	0.2
91.05409	12.3
92.05756	0.4
93.03349	2.3
93.07903	0.2
109.02837	16.2
110.03151	0.5
121.02841	8.7
122.03613	0.8
135.04417	100.0
136.04762	4.0
137.06030	1.3
147.04399	2.1
148.05209	6.5
149.05563	0.3
159.04408	0.4
163.07562	11.2
164.07869	0.6
200.08540	0.3
207.10185	0.7
215.10741	1.1
233.11795	11.5
234.12070	0.8
237.41327	0.3
285.11319	0.3
337.14514	0.3
355.15491	42.3
356.15833	4.9
499.19589	0.4
559.21851	2.8
559.30444	0.4
560.22321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03324	1.8
58.00483	0.7
59.01251	98.1
60.01592	0.8
61.98689	0.4
65.03834	2.6
67.01746	0.7
69.03316	1.0
71.01255	22.2
71.04884	0.7
71.07239	0.9
71.07576	0.8
72.01596	0.6
72.99182	1.7
73.02820	19.9
81.03312	1.0
81.80114	0.5
83.01255	7.0
85.02823	7.5
87.00761	1.6
89.02316	4.9
91.05413	11.9
93.03352	4.4
95.01267	1.5
95.04903	0.5
97.02829	0.7
99.00788	0.8
99.04382	0.7
101.02323	22.4
102.02663	0.5
107.04896	1.0
108.02070	0.7
109.02837	16.0
110.03162	0.7
113.02329	10.8
119.03392	2.3
121.02838	9.5
123.04443	1.2
125.02329	2.1
131.03387	1.3
133.02817	0.9
134.03641	3.1
135.04416	100.0
136.04745	4.5
137.02339	0.8
143.03401	1.9
147.04431	1.4
149.04462	1.7
149.05975	5.9
151.00279	0.5
155.03487	0.6
159.03101	0.9
159.04411	7.3
160.05141	1.7
161.04482	3.9
168.66609	0.4
171.10202	1.1
173.04449	0.7
175.07565	3.9
176.07910	0.6
179.03355	0.7
186.03246	0.7
189.09134	1.0
191.05516	4.1
199.04013	0.5
199.07411	0.6
200.08325	1.6
201.09151	12.9
202.09454	1.1
207.10181	0.7
207.72313	0.4
209.11710	0.6
214.02635	1.2
215.10715	4.3
217.08827	0.5
221.06596	0.7
233.11783	15.9
234.12088	1.3
239.14987	0.6
241.01378	2.2
242.02176	3.9
243.02873	0.7
245.00838	1.3
253.09201	0.7
267.06369	0.7
270.01654	4.2
271.02414	3.8
298.01175	1.7
299.01926	5.0
305.17557	0.7
311.25974	0.6
323.18481	1.3
337.14459	15.6
337.23694	1.1
338.14584	1.7
355.15491	42.7
355.24609	3.7
356.15930	5.4
379.24606	0.7
396.08398	2.5
397.09100	0.7
462.08188	0.7
499.19315	0.9
499.20941	0.7
499.29077	20.9
500.29828	2.5
517.21832	1.0
517.29974	6.8
518.30322	0.9
559.14368	11.1
559.21857	3.9
559.31036	8.7
560.14264	2.3
560.22302	1.0
560.30383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
58.00465	1.3
59.01252	99.5
65.03834	2.7
66.53252	1.0
69.03345	1.8
69.26271	4.6
69.26690	6.0
71.01254	44.7
72.01609	1.4
72.99180	1.4
73.02820	86.4
83.01263	20.4
85.02824	4.3
87.00766	1.1
89.02336	6.8
91.05406	13.5
92.61287	0.9
93.03320	2.9
95.01273	1.5
97.02834	2.5
101.02326	66.2
102.02673	1.9
109.02834	14.8
113.02328	12.5
119.03395	3.5
121.02852	10.8
125.02321	2.8
127.52032	0.9
131.03412	4.7
133.02850	3.4
134.03653	1.0
135.04419	100.0
136.04781	3.9
143.03410	5.8
147.04381	2.3
149.04451	3.2
154.49261	1.0
155.03412	1.0
159.04422	1.3
161.04483	13.1
171.81253	0.9
189.09058	1.3
199.07545	1.1
200.08444	2.1
215.10753	7.3
221.06723	0.9
233.11723	2.2
261.70236	0.9
267.06561	2.1
279.06693	0.9
301.47684	0.9
337.14444	47.5
338.14822	6.1
355.15625	7.6
356.15927	1.0
428.83969	1.0
437.18140	2.6
453.75824	0.9
499.19678	2.7
517.20465	1.4
559.21887	26.2
560.22137	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.9
65.03830	2.1
65.54280	0.2
67.01759	0.4
69.48790	1.2
69.49195	0.4
71.01260	0.2
73.02818	0.3
77.06070	0.2
83.01332	0.2
91.05412	13.0
92.05759	0.6
93.03340	2.4
98.19677	0.2
101.02331	0.4
107.04892	0.3
109.02837	17.2
110.03178	0.5
121.02843	9.3
122.03631	0.6
133.63858	0.2
134.03662	0.3
135.04416	100.0
136.03688	0.2
136.04747	4.2
136.05724	0.3
137.06001	1.4
147.04413	1.8
148.05206	7.5
149.05730	0.4
163.07556	11.4
164.07875	0.6
180.90634	0.2
200.08386	0.2
207.10204	0.8
215.10690	0.7
233.11786	12.0
234.12146	1.0
252.29993	0.2
267.10925	0.2
285.11310	0.6
337.14447	0.6
339.10880	0.2
355.15497	45.4
356.15836	5.9
460.29672	0.2
499.19736	0.3
559.21875	3.3
559.30347	0.2
560.21735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2184
Annotation	Lanceocrepidiaside B
Peak:m/z	Relative Intensity
59.01250	4.0
65.03851	0.3
67.01750	0.2
68.95290	0.2
69.03325	0.9
69.05357	0.2
71.01254	1.5
71.37969	0.5
72.99177	0.2
73.02813	1.7
73.89226	0.2
76.08562	0.2
77.03855	0.3
79.05394	0.5
81.03329	2.6
83.01260	1.0
85.02812	0.6
89.02347	0.3
90.76716	0.2
93.03324	0.6
95.01263	0.4
95.04900	0.9
95.80843	0.2
97.02831	0.8
101.02309	1.4
102.12649	0.2
105.03326	0.6
106.00244	0.2
107.04922	0.5
108.02049	0.7
109.02835	2.7
109.99978	0.9
113.02319	0.6
121.02823	1.5
122.03619	0.3
123.00789	1.4
123.04410	5.9
124.01556	17.5
125.02345	16.5
125.03680	0.3
125.09676	0.3
126.02659	0.7
133.02855	4.4
134.03566	0.6
135.04396	2.8
137.02342	14.9
137.82214	0.2
138.02695	0.7
144.40421	0.2
145.02806	0.2
147.04439	0.7
149.02354	2.6
149.05971	1.5
150.03128	17.0
151.03915	100.0
152.04253	4.4
159.04416	0.3
161.02396	0.3
162.03125	0.3
163.03929	7.6
164.04230	0.4
175.03925	0.4
175.91081	0.2
177.05763	0.3
185.06058	0.2
188.39828	0.3
191.05614	0.4
191.10632	2.1
192.11069	0.3
193.05023	0.4
201.09172	1.9
217.12303	2.0
239.16217	0.2
253.08960	0.2
267.06772	0.5
279.06552	0.6
295.08255	0.3
319.13382	0.2
329.08673	1.1
337.14429	5.8
337.18103	0.2
338.14954	0.6
341.08725	1.5
354.14722	2.2
355.10410	11.5
355.15494	41.9
356.10834	0.8
356.15787	5.0
371.51480	0.2
473.77176	0.2
499.19199	0.5
515.28430	0.8
517.20874	0.6
559.21936	6.6
559.30121	0.3
560.22516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
59.01254	18.8
71.01254	9.8
71.58524	1.1
72.99200	1.1
73.02824	9.0
79.36884	0.8
80.96386	2.6
81.03334	2.0
83.01255	1.4
85.02812	5.1
87.00741	1.0
89.02317	5.0
90.07713	0.7
93.03333	1.7
94.97985	1.0
95.01283	2.7
96.95900	3.3
97.02834	0.9
101.02339	5.2
108.02055	55.2
109.02856	41.9
113.02315	2.9
119.03401	2.3
123.00782	2.6
123.04382	0.9
125.02325	1.5
129.96294	0.8
135.04362	1.4
151.03912	1.6
152.01065	59.3
153.01868	25.4
161.04443	1.4
163.03816	0.9
165.01836	1.1
166.25186	0.7
173.04469	1.6
181.12457	0.8
187.09689	5.0
191.05569	2.7
225.00591	0.9
247.08449	0.9
261.13403	1.0
297.06015	1.4
301.03500	1.1
315.07159	2.5
316.02234	1.1
371.09802	6.2
379.06104	0.9
397.15073	3.3
427.15109	1.4
497.19870	1.7
499.18192	3.0
515.21375	4.7
541.19391	3.1
559.20337	100.0
560.20667	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77674	0.9
55.01754	2.1
57.03323	5.3
58.00475	1.5
59.01252	100.0
59.08681	0.9
60.01583	1.3
61.98705	1.7
65.00188	4.8
68.99690	1.2
69.03341	1.5
70.92448	2.8
71.01256	44.3
72.99182	4.2
73.02821	33.6
75.00726	1.6
80.91562	6.8
81.03327	1.5
83.01259	11.3
85.02821	12.2
87.00758	3.5
89.02309	10.9
91.05410	1.7
93.03333	10.1
95.01281	2.5
97.02847	1.3
99.00763	1.9
99.04387	1.6
101.02325	28.5
105.06995	1.0
107.04923	3.8
108.02053	1.7
109.02855	12.4
111.00787	1.6
111.04423	1.4
113.02331	16.4
116.92807	1.0
119.03424	3.4
119.04915	36.7
120.05259	1.6
121.02849	5.8
123.04433	2.2
124.01589	1.8
125.02322	2.2
125.09656	1.0
129.06995	2.3
131.03415	1.6
131.04947	3.8
133.02905	2.1
133.06534	2.2
135.04422	27.3
136.04794	1.7
137.02327	3.7
139.45810	0.9
143.03442	2.3
145.02843	1.2
149.02361	2.7
149.06000	6.4
151.00270	1.1
151.03926	2.6
151.07573	1.2
152.01056	1.8
153.01831	1.2
157.06451	1.5
159.04428	1.6
161.02377	1.7
161.04472	4.2
165.05507	2.4
173.04453	7.3
173.05994	10.7
175.02486	2.1
175.03925	9.0
177.01843	3.8
177.05450	1.3
179.03438	1.4
179.05595	1.9
185.05983	1.1
187.04028	2.5
189.09145	3.0
191.05507	6.7
191.07086	2.1
193.08678	8.0
199.04051	1.1
201.05576	1.2
201.12808	1.8
202.06348	1.1
203.10780	1.1
214.02650	1.6
215.07098	18.1
215.10820	1.0
216.07608	1.4
217.05013	33.7
218.05409	1.9
219.06622	5.8
220.06871	1.3
223.09659	1.0
231.06631	3.6
231.10184	4.4
233.08167	19.8
233.11763	2.0
241.01376	2.9
242.02151	3.5
243.06610	1.8
245.08276	1.4
247.06102	2.5
249.11198	2.0
262.14130	0.9
270.01678	5.8
271.02335	1.8
298.01129	3.0
299.01810	1.9
311.12848	1.2
315.12454	2.7
327.12411	20.0
328.12830	1.8
337.10788	77.8
337.14508	18.1
338.11169	10.1
338.14786	1.4
339.12411	3.3
351.12366	3.1
355.11795	21.3
355.15659	6.1
355.24875	2.3
356.12216	2.5
396.08658	3.6
499.20996	8.2
499.28641	9.2
500.20490	1.2
517.20831	8.9
517.30109	4.2
531.18500	2.5
555.00171	1.0
559.17883	34.5
559.31219	17.9
560.18622	5.4
560.31158	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96537	0.5
52.92052	0.6
55.01756	1.0
57.03327	1.0
58.00463	0.9
59.01254	57.8
65.03835	1.8
69.03321	0.9
71.01255	27.7
71.58588	0.9
72.99188	0.7
73.02824	30.9
74.03143	0.6
75.00727	0.5
78.95782	0.5
79.05367	1.1
81.03326	0.6
83.01260	9.5
83.56444	0.5
84.65221	0.5
85.02822	5.0
87.00744	1.2
87.04365	0.6
89.02318	5.5
89.03841	0.8
91.05404	11.1
93.03333	4.2
95.01250	1.0
95.04924	0.6
96.95927	0.8
97.02824	0.9
99.00773	0.7
99.04424	0.5
99.05576	0.5
101.02325	23.1
102.02670	0.6
107.04916	8.1
108.02039	1.4
109.02827	3.7
111.04390	0.5
113.02335	6.7
117.03381	1.0
119.03414	2.2
119.04896	1.8
121.02844	1.8
123.04429	1.7
123.08161	0.5
125.02349	1.5
129.07021	0.6
131.03391	1.1
133.02856	7.7
135.04417	60.7
136.04742	3.0
137.02377	2.8
137.11693	0.5
143.03406	1.9
147.04413	0.6
149.02386	1.4
149.04498	1.4
149.05942	1.3
151.00264	1.0
151.03908	1.4
153.05571	0.6
155.03445	0.8
157.06473	2.1
159.04433	2.0
161.02356	100.0
161.04509	3.8
162.02696	4.6
163.03899	0.7
163.07549	0.9
165.05521	1.3
171.10181	1.0
173.04436	1.9
175.07568	50.4
176.03876	0.5
176.07893	3.4
177.01822	0.6
177.09145	1.4
179.03452	0.9
179.07053	0.6
187.07529	0.7
191.05560	4.7
193.08516	0.7
201.05571	1.1
201.09056	0.7
214.02644	1.4
215.07050	0.6
219.06552	0.8
231.10226	0.7
241.01466	1.6
242.02150	2.0
243.06639	1.0
245.00885	1.3
269.99228	0.6
270.01654	2.8
298.01151	1.3
301.08844	0.7
319.09778	18.9
320.10080	2.3
337.10803	17.2
337.14383	0.8
337.23538	0.7
338.11044	2.6
355.08136	0.9
355.12000	2.1
379.15488	0.9
396.08459	1.9
397.15109	8.0
423.12863	0.8
499.29092	4.9
500.30148	0.6
517.29810	2.9
521.06738	0.6
541.17035	6.1
542.17694	0.9
559.17957	15.5
559.31287	9.1
560.18817	3.0
560.31885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62311	0.6
55.01761	1.5
57.03317	2.0
58.00470	0.9
59.01251	66.3
60.01606	0.7
61.98679	0.7
65.00194	5.8
69.03327	1.7
69.76022	3.6
71.01254	30.6
72.01577	0.6
72.99171	2.2
73.02819	26.8
75.00751	1.3
79.05387	0.8
80.84232	0.7
81.03317	0.8
83.01252	7.6
83.04872	0.7
85.02825	7.6
87.00752	2.7
89.02319	8.4
91.05428	1.1
93.03330	7.4
95.01274	2.8
95.04916	1.0
96.95889	1.1
97.02814	1.6
97.06452	0.9
99.00768	1.9
99.04383	1.7
101.02322	23.6
102.02692	0.7
105.06966	1.0
107.01208	0.9
107.04920	2.8
108.02064	2.4
109.02844	3.6
111.04419	0.6
113.02332	11.7
119.03400	2.5
119.04919	39.8
120.05241	1.6
121.02840	2.7
121.06537	0.8
123.00697	0.8
123.04441	3.2
123.08037	2.5
125.02341	2.6
125.05968	1.8
131.03368	1.4
133.02820	2.5
133.06502	0.8
134.03639	9.9
135.04431	12.4
136.01512	0.7
137.02373	3.7
137.05984	0.7
139.03926	0.7
143.03444	1.4
145.02791	0.9
147.04388	1.5
148.05190	0.7
149.02376	0.7
149.05984	35.1
150.06335	1.6
151.00282	1.8
151.03900	0.8
152.01042	0.9
153.01830	0.9
153.05446	1.4
161.02339	4.9
161.04474	4.2
161.05981	4.9
163.00273	0.7
163.03929	1.4
163.07535	0.9
165.05492	1.8
167.07018	4.4
171.10233	0.7
173.04483	2.9
173.05995	3.6
175.07561	6.1
176.01050	2.0
177.01866	2.0
178.99805	0.7
179.03433	0.7
179.05627	1.0
179.07051	6.1
185.05983	1.2
186.03149	0.7
187.07562	2.6
189.05557	1.1
191.05733	4.0
191.06908	4.2
193.08617	1.4
201.09143	38.1
202.09448	2.0
205.05040	2.9
209.08127	1.1
214.02655	1.9
217.05017	1.2
219.06459	1.1
231.06622	1.4
231.10272	0.7
235.06075	27.2
236.06453	2.0
241.01373	1.0
242.02168	3.7
243.02840	0.6
243.06743	0.6
245.00824	1.6
249.07603	1.7
261.07611	2.3
267.06726	1.0
270.01599	4.8
270.05249	0.5
271.02539	0.8
285.04224	0.8
298.01157	1.8
299.01895	0.7
300.02182	0.6
305.17609	0.8
311.12643	0.8
319.09586	1.2
323.12732	0.7
325.10947	1.0
337.10861	2.3
337.14444	34.1
338.14877	3.7
355.11853	100.0
356.12210	12.5
359.15012	1.9
396.08487	3.2
397.13129	1.4
449.30124	0.6
499.20203	2.9
499.29208	4.0
500.29535	1.1
517.20844	3.9
517.30273	2.6
521.20215	4.3
522.21136	0.7
523.21307	1.1
559.14526	8.3
559.21808	14.1
559.31171	14.5
560.14392	1.2
560.21887	2.3
560.31757	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85474	0.7
63.45132	0.7
63.78986	0.6
64.71059	0.6
69.45065	0.6
71.57927	1.1
78.95782	23.5
79.78010	0.6
90.02312	0.7
96.96856	1.0
104.96473	0.6
106.53096	0.7
152.99460	4.0
168.04240	3.2
173.04495	0.9
194.26857	0.8
224.06871	8.1
239.15956	0.8
242.07942	1.6
246.77151	0.7
283.26419	100.0
284.26779	10.5
378.95279	0.8
508.34064	55.8
509.34567	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33199	0.3
55.56232	0.3
57.03339	1.5
57.03569	0.3
57.60706	0.3
58.00463	0.6
59.01254	21.2
60.01585	0.3
60.05178	0.3
60.99181	0.8
61.98702	0.4
65.03825	0.4
67.01763	4.2
67.48506	0.3
69.03319	1.3
69.50281	1.8
69.50709	0.8
71.01257	10.4
72.99194	0.8
73.02814	2.9
75.00758	0.6
78.95783	0.6
81.03345	1.3
83.01259	1.8
83.04908	1.4
85.02828	3.6
87.00742	1.9
87.04397	0.4
89.02325	4.9
91.05405	0.4
93.03339	24.7
94.03650	0.5
95.01276	0.8
95.04902	0.5
95.17921	0.3
96.95895	1.3
97.02850	0.4
98.19792	0.5
99.00750	0.5
99.04379	0.6
101.02327	4.4
107.04934	0.3
108.02049	0.4
109.02850	2.0
109.06474	0.4
111.00766	1.1
111.04403	4.5
111.07994	0.3
113.02333	4.5
115.03934	0.3
116.92769	0.5
119.03393	2.3
119.04927	0.6
121.02862	2.1
122.03558	0.4
123.04445	0.8
125.02384	1.5
132.02110	0.4
133.02863	1.7
135.04419	4.6
137.02361	4.4
143.03381	0.8
143.82272	0.4
147.04381	0.9
149.02354	11.7
149.04332	0.7
150.02818	0.5
151.00290	0.8
151.03923	0.4
152.01053	1.1
153.01872	0.4
155.03401	4.4
159.04433	0.8
161.02362	5.3
161.04463	1.3
163.03903	0.7
164.04698	9.4
165.01930	0.4
165.05159	0.5
167.03345	0.4
173.04477	100.0
174.04832	4.1
175.07561	1.2
177.01880	0.9
179.03416	1.3
179.05536	1.1
179.07021	1.0
191.05522	5.1
191.07072	0.5
192.05756	0.4
193.08708	0.4
205.12218	0.3
220.11032	0.4
223.06082	14.8
224.06363	1.0
235.09889	0.5
267.06635	0.4
295.05865	0.3
319.09750	0.6
322.15442	0.3
335.07779	0.5
336.22614	0.5
337.11108	0.8
353.06458	1.5
355.11969	0.7
385.22281	0.6
397.11398	27.6
398.11731	3.0
400.91168	0.4
499.29285	1.8
517.30017	1.0
531.18719	0.5
559.15210	1.2
559.28149	1.4
560.18225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47594	1.0
54.89916	1.1
59.01248	2.7
71.57766	1.2
71.58135	1.3
73.35426	1.3
78.95776	93.5
87.76131	1.2
96.96834	20.0
107.20504	1.2
130.01332	2.0
138.05263	1.5
149.94913	1.2
152.99492	77.9
167.01086	2.0
170.98439	1.4
173.12366	1.3
188.79071	1.2
223.00121	2.9
224.06813	1.4
241.01184	37.2
241.21707	83.7
242.01442	1.5
242.22046	7.6
266.69922	1.3
279.23273	16.7
280.23593	21.3
315.04807	12.5
364.28818	1.3
377.21021	7.9
476.27734	2.4
504.31152	1.7
505.31268	14.9
557.27246	100.0
558.27637	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55873	0.5
59.01237	2.1
61.98696	0.6
62.96247	0.5
69.47823	3.5
69.48248	0.9
78.95776	21.4
96.96830	0.9
109.23318	0.5
122.00008	0.6
125.09584	0.6
140.01100	3.1
152.99480	4.6
171.00584	1.0
191.05428	0.4
196.03720	3.2
209.01314	0.6
214.04796	2.8
249.11121	2.2
250.11407	1.0
267.12109	0.7
279.23282	100.0
280.23663	11.7
281.23856	1.9
404.36890	0.6
476.27826	30.3
477.28308	2.8
558.27502	2.1
577.69043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.8
60.25395	0.2
71.01241	0.2
71.57808	0.3
78.95780	7.3
82.50414	0.2
83.81120	0.2
152.99515	1.5
168.04237	0.3
220.07419	1.0
241.01086	0.4
241.21742	1.2
242.08028	0.5
249.11041	0.6
261.22348	0.4
267.12448	0.3
276.10043	0.9
279.23288	100.0
280.23630	11.1
281.23904	1.1
294.11111	1.9
504.30975	4.4
505.31482	0.8
506.31271	0.7
556.34088	7.4
557.26532	1.2
557.35321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05023	0.4
57.03319	0.6
59.01253	17.8
61.98701	0.8
67.01743	0.4
69.03329	0.5
71.01256	4.7
72.99160	0.7
73.02824	1.3
78.95778	2.8
79.95621	0.7
83.01269	1.0
84.14277	0.4
84.93761	0.4
85.02831	1.7
87.00775	1.1
89.02323	2.3
93.03327	1.9
95.01295	0.6
95.04950	0.5
96.95892	11.9
96.96843	0.8
98.95479	6.8
98.96299	1.5
99.00760	2.0
99.04386	0.6
99.92463	16.8
100.92528	0.6
100.93235	1.0
101.02319	3.1
108.02051	0.9
109.02831	1.4
111.04395	0.7
111.37279	0.4
113.02346	2.3
115.91131	0.6
115.91967	22.9
116.92749	100.0
117.92758	5.3
119.03411	1.2
119.04943	0.7
124.01511	0.4
125.02323	1.5
133.02870	0.6
135.04448	1.0
137.02364	0.4
140.92752	0.7
141.93567	0.8
142.94312	0.8
143.03383	0.6
151.00369	0.6
151.03868	0.4
155.03378	0.5
158.93852	0.9
161.02332	1.3
161.04453	1.0
163.03897	1.0
168.00609	1.2
169.01384	0.4
169.92986	0.5
171.99066	0.3
173.04501	3.0
173.92441	0.5
179.03458	0.5
184.91707	2.2
191.05530	2.6
196.95206	0.4
202.99829	1.4
209.06166	0.4
209.15543	0.4
214.58652	0.4
216.00613	0.4
216.52191	0.4
239.43628	0.4
279.02948	0.7
280.03806	0.9
295.02524	1.4
307.02484	3.3
308.03101	0.6
323.02011	2.6
324.02563	0.9
345.96384	0.5
352.02283	5.1
353.03027	3.0
377.06653	1.0
383.07846	0.9
435.11334	0.6
453.12100	3.7
454.12616	0.6
471.13461	3.0
472.13544	0.6
486.56006	0.5
495.13544	2.1
497.27524	0.6
513.14374	5.0
514.14136	0.8
515.28156	0.6
557.13477	12.5
557.21375	0.8
557.29254	0.9
558.13586	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.2
65.03829	1.7
69.03340	0.5
69.95014	0.9
69.95422	1.8
71.01257	1.5
83.04894	0.8
85.02812	1.0
91.05409	15.0
92.05729	0.6
93.03339	3.8
96.95908	0.5
98.19687	0.5
101.02293	0.6
101.65323	0.5
107.04891	0.7
108.02042	0.5
109.02834	5.7
113.02311	0.6
119.04939	0.7
119.85213	0.4
121.02806	3.7
133.02856	2.7
135.04416	100.0
136.04758	4.1
149.02354	3.4
151.11250	0.4
159.04474	0.6
161.02356	7.8
162.02721	1.0
163.03874	0.9
173.04465	0.8
179.03275	0.8
179.10707	1.6
191.05562	3.0
191.10692	4.0
197.11771	6.0
209.11787	3.7
227.68874	0.5
231.10132	1.0
233.11812	1.9
235.09738	0.4
265.04971	1.2
277.05063	2.8
284.62564	0.5
309.20755	0.5
309.24255	0.7
315.14453	0.7
335.12872	12.3
336.13217	1.5
338.11340	0.5
353.13934	57.4
353.23267	1.9
354.14297	6.2
514.46381	0.5
525.27051	4.9
553.39880	0.6
557.20258	8.6
557.28516	1.1
558.20551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
65.31448	1.2
68.39967	1.0
69.63680	8.7
78.95776	70.1
96.96851	4.4
97.06468	1.7
120.97388	1.0
124.74004	1.1
125.09611	3.9
140.01077	4.6
143.92296	1.5
146.39590	1.2
152.03917	1.3
152.99477	14.3
159.10129	1.3
171.00546	12.8
171.10165	1.8
173.05786	1.3
175.07533	2.2
190.74661	1.5
196.03752	4.0
214.04810	3.9
227.06979	1.6
240.98711	1.2
271.06192	1.8
277.21719	100.0
278.22012	10.0
403.23041	1.3
474.26233	61.5
475.26578	8.3
496.23206	3.8
556.25568	1.8
557.18134	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.7
61.23755	1.2
69.34100	11.4
71.01256	3.3
73.02869	1.3
78.95781	4.0
89.02321	2.5
90.01933	1.3
101.02327	1.7
113.02320	2.0
152.99481	2.3
161.04427	2.1
225.37628	1.4
231.42813	1.4
235.08153	1.5
241.21675	3.3
253.09254	17.6
277.21716	100.0
278.22168	10.4
279.23267	9.3
420.27866	1.4
520.32733	1.3
557.27301	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65932	0.2
59.01251	12.7
68.99018	0.2
71.01253	1.9
71.58017	0.3
73.02825	0.7
78.95779	4.0
79.95599	3.4
83.01224	0.4
83.04877	0.3
85.02824	1.0
86.92281	0.2
87.00763	0.3
88.08403	0.2
89.02328	0.5
93.03336	0.8
96.95890	100.0
96.96773	4.4
97.92999	0.4
99.00748	0.3
99.92439	0.3
101.02328	0.8
108.02061	0.7
109.02819	0.6
110.38087	0.2
113.02315	0.7
113.92529	0.4
114.93294	2.2
115.91940	0.8
116.92750	2.3
123.04346	0.3
133.02846	0.4
135.04414	0.9
137.02350	0.3
152.01067	0.8
153.01810	0.3
161.02361	3.2
161.04477	0.4
167.03418	0.8
167.28923	0.3
173.04475	0.4
179.03453	0.3
191.05550	1.3
270.14243	0.5
353.20059	0.4
371.20621	0.5
413.21744	1.2
414.22284	0.3
469.17801	0.3
555.13593	0.6
555.21088	0.5
583.57898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96088	0.2
53.99587	0.2
59.01251	21.4
60.01556	0.2
60.32448	0.2
60.49497	0.2
71.01257	0.3
78.95776	19.4
79.95608	0.6
80.96391	2.7
94.97971	0.6
98.20594	0.6
106.28202	0.3
113.07348	0.3
122.97469	0.5
122.98352	0.3
124.23545	0.3
152.98495	0.3
152.99525	2.8
164.98560	0.5
168.04199	3.0
185.23335	0.2
195.07863	0.2
224.06888	7.9
225.00761	0.9
229.76520	0.4
242.07999	1.9
255.23264	100.0
256.23608	8.5
480.30933	49.4
481.31320	7.0
555.28369	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85306	0.3
52.96548	0.3
58.43299	0.2
59.01251	17.1
61.98719	0.4
69.23835	3.4
73.73420	0.3
74.57089	0.3
75.76109	0.3
78.95775	5.8
80.96392	1.2
98.48049	0.3
132.90341	0.3
141.16095	0.3
141.17303	0.3
152.99498	1.3
168.04242	1.5
224.06856	0.7
242.07985	2.4
255.23267	100.0
256.23630	9.0
480.30939	26.7
481.31262	3.2
554.26971	0.8
555.33661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.1
62.13805	0.3
68.04725	0.4
70.15003	1.0
70.15418	0.8
78.95779	6.5
80.96378	0.4
111.08036	0.3
112.53834	0.3
125.09591	1.9
136.23653	0.4
144.08351	0.4
152.99475	1.2
156.94244	0.4
157.08607	0.7
168.04237	1.2
171.10202	1.0
187.09718	0.5
196.54938	0.4
217.56757	0.3
224.06927	1.1
242.07930	2.8
265.82129	0.4
279.23279	100.0
280.23630	10.0
347.99203	0.4
415.23764	0.5
432.73807	0.4
504.30991	26.8
505.31223	4.1
509.20529	0.4
550.73798	0.4
554.27454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.8
61.98701	0.7
71.01253	0.6
71.58071	0.5
78.95779	23.8
80.96383	1.9
94.97919	0.7
96.13406	0.5
118.83073	0.6
120.86996	0.5
152.99501	3.5
168.04237	3.8
191.05576	0.8
224.06898	10.6
231.06548	0.5
242.07977	3.6
243.08380	0.7
277.21680	2.7
279.23291	100.0
280.23645	10.3
504.30988	59.1
504.38690	1.2
505.31296	7.7
554.27094	2.9
555.27069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.4
70.14982	1.0
71.01268	0.3
78.95779	8.2
79.62907	0.2
83.04899	0.2
152.99506	1.1
168.04208	0.4
220.07367	1.1
220.93887	0.2
224.06816	0.3
239.20068	0.3
242.07829	1.2
256.57993	0.2
259.20612	0.5
275.19995	0.5
276.10056	0.7
277.21725	100.0
278.22073	11.7
279.22421	1.9
294.11118	2.2
502.29382	7.7
503.29922	1.5
504.29785	1.4
554.32654	6.7
555.25592	0.6
555.32855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87603	1.3
59.01252	15.3
60.98374	1.3
63.79726	1.2
65.20844	1.3
69.03329	2.0
69.59035	3.8
69.59453	6.4
71.01266	7.9
73.02819	4.2
81.72636	1.5
83.01235	1.9
85.02826	3.9
89.02322	2.3
93.03368	1.7
94.06519	4.5
96.95888	24.5
98.95464	2.8
99.92488	4.8
100.93266	1.7
101.02333	3.8
107.03645	10.4
113.02311	2.6
115.91953	8.2
116.05029	1.7
116.92753	34.6
121.02896	2.0
121.03881	1.6
122.05122	3.1
122.06013	58.1
123.04432	5.0
125.02305	2.0
132.04469	3.9
134.06023	3.2
135.04448	3.5
138.05513	3.2
139.02678	3.6
152.01038	1.8
152.07082	100.0
153.07408	4.4
156.00546	2.5
158.02348	1.9
160.04004	2.5
166.04955	2.0
167.03439	1.8
168.00500	2.2
173.04395	1.7
175.31396	1.4
176.03465	1.5
186.26947	1.4
189.12643	1.6
190.05003	8.5
191.05505	7.8
192.06577	6.4
209.10648	1.8
213.10263	6.1
222.07939	2.1
223.08771	1.7
225.06662	2.5
235.08737	1.6
237.10275	18.2
238.07249	3.3
239.08173	2.0
251.08231	4.4
253.09830	7.9
254.10545	2.1
263.08362	1.7
265.06198	5.8
265.09689	3.1
266.06979	11.9
274.91693	1.6
278.06946	4.2
279.07574	2.0
280.08652	3.3
281.09305	48.6
282.09515	3.4
293.09338	23.8
294.09772	2.9
313.11954	8.4
314.12308	1.6
325.11917	2.8
341.11215	2.8
348.54987	1.8
355.12903	8.3
356.13635	1.8
357.14679	2.7
389.04468	1.5
402.18341	7.2
418.17853	2.7
446.17175	35.9
447.17429	6.3
478.19830	60.6
479.20319	9.9
490.16284	16.6
491.17120	2.0
510.22485	11.9
511.23077	2.1
522.18860	62.0
523.19128	12.2
554.21326	12.1
554.32410	2.1
555.11560	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57220	0.4
55.01751	1.4
57.03316	2.3
58.00462	1.1
59.01254	18.8
69.50990	4.3
71.01257	12.8
72.99193	0.9
73.02822	5.1
75.16571	0.5
83.01262	2.7
85.02825	4.6
87.00740	1.2
88.98680	1.7
89.02326	5.8
95.01264	1.3
99.00811	2.2
101.02325	9.4
111.00746	1.9
111.75388	0.5
113.02328	4.5
119.03392	1.3
123.08083	0.7
128.01038	0.7
149.09615	0.7
153.09116	0.8
156.00552	4.0
161.04472	0.6
167.10689	0.6
169.12239	0.7
191.05551	0.7
343.24930	0.7
345.26459	2.5
346.26865	0.6
373.25885	1.2
391.26950	2.0
402.72025	0.6
493.30121	0.5
535.31165	0.7
553.32312	100.0
554.32678	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.9
57.03329	2.4
58.00462	0.6
59.01254	17.4
60.99151	0.5
61.98714	0.6
65.53226	0.3
69.03332	0.4
69.69733	0.9
69.70152	1.4
71.01257	10.7
72.99193	0.8
73.02824	10.8
74.98979	0.3
75.00739	0.5
83.01270	1.7
84.22532	0.3
85.02824	4.7
86.55734	0.3
87.00751	1.4
87.04401	0.5
88.98685	4.1
89.02322	7.4
90.17345	0.3
93.03342	0.8
95.01258	0.8
96.11775	0.3
96.95875	0.5
99.00755	1.1
101.02328	8.9
109.02796	0.3
113.02345	4.5
119.03393	2.5
119.59149	0.3
125.02335	0.3
129.01813	0.4
135.04411	0.5
137.02322	0.4
139.03886	0.4
150.03101	0.3
155.10692	0.8
159.02959	0.4
161.02435	0.4
161.04489	0.6
171.13759	0.3
173.04517	0.6
177.01823	0.5
179.03592	0.3
179.05533	0.4
191.05508	1.9
239.20241	0.3
266.34036	0.3
293.60913	0.3
299.22025	0.4
317.23276	1.6
345.26404	2.3
349.25787	0.4
361.15778	0.5
373.25891	1.0
391.27121	1.3
479.28589	1.4
493.30389	3.4
494.30630	0.6
511.31296	0.7
535.31476	0.6
553.32318	100.0
554.32642	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01250	14.6
61.98706	1.8
65.03815	0.9
67.01759	0.9
69.38390	7.9
71.01249	4.5
72.99186	2.7
73.02829	4.1
75.00747	100.0
75.78638	0.8
78.95776	1.0
83.01281	1.5
83.82425	0.8
85.02802	1.5
85.49135	0.7
87.00765	1.0
89.50494	0.8
90.16811	0.7
91.05408	2.7
93.03352	3.7
96.95911	1.0
101.02322	3.1
102.84543	0.7
108.02045	1.9
109.02850	7.2
113.02326	2.3
119.04923	0.9
121.02868	4.8
122.03644	1.4
123.04416	1.2
133.02769	0.9
134.03609	0.9
135.04416	28.7
136.04764	1.6
137.02365	2.3
137.05922	1.2
139.03915	8.1
147.04417	1.4
149.02362	1.3
149.05974	1.3
152.99454	1.2
153.01810	0.9
153.05490	0.7
159.04398	1.0
161.02353	1.3
161.05896	0.8
163.03934	1.9
163.07555	1.1
175.07611	1.2
177.01808	1.2
191.05525	5.0
193.08730	4.2
226.83008	0.9
227.15207	0.7
228.35515	0.7
287.12915	3.2
289.14258	1.8
306.74847	0.7
315.12393	25.5
316.12762	2.7
331.11603	2.1
361.07446	1.1
391.04004	0.8
431.17273	1.4
477.17484	3.9
491.19226	10.5
492.19553	2.2
509.20181	13.3
510.20526	2.1
553.14020	1.5
553.23486	3.8
573.94928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.5
59.01252	12.5
59.51910	0.3
69.51399	0.6
69.51799	2.2
71.01257	2.9
73.02820	3.2
75.00758	0.4
78.95767	3.6
79.95598	3.0
83.01254	1.0
85.02820	1.2
87.00767	0.4
89.02312	1.1
93.03336	1.0
94.97897	0.3
96.95889	100.0
96.96777	4.9
101.02323	3.9
104.71947	0.3
108.02055	0.4
109.02840	0.6
111.00713	0.4
113.02342	1.9
113.92487	0.7
114.93263	2.2
119.03393	0.7
121.02850	0.4
125.02285	0.4
131.86047	0.3
135.04419	1.2
136.03954	0.3
137.02339	0.6
137.09644	0.7
139.03873	0.4
148.00708	0.4
149.09619	0.3
153.01833	0.7
161.04483	0.9
161.51323	0.3
163.03944	0.4
173.04504	0.7
179.03413	0.6
191.05591	1.8
215.12851	2.5
216.13124	2.1
217.13322	0.4
357.27863	0.4
493.30176	0.4
508.27939	0.6
509.28769	0.5
552.31030	1.3
553.12238	0.5
553.20135	0.6
553.32294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.5
59.01252	12.5
59.51910	0.3
69.51399	0.6
69.51799	2.2
71.01257	2.9
73.02820	3.2
75.00758	0.4
78.95767	3.6
79.95598	3.0
83.01254	1.0
85.02820	1.2
87.00767	0.4
89.02312	1.1
93.03336	1.0
94.97897	0.3
96.95889	100.0
96.96777	4.9
101.02323	3.9
104.71947	0.3
108.02055	0.4
109.02840	0.6
111.00713	0.4
113.02342	1.9
113.92487	0.7
114.93263	2.2
119.03393	0.7
121.02850	0.4
125.02285	0.4
131.86047	0.3
135.04419	1.2
136.03954	0.3
137.02339	0.6
137.09644	0.7
139.03873	0.4
148.00708	0.4
149.09619	0.3
153.01833	0.7
161.04483	0.9
161.51323	0.3
163.03944	0.4
173.04504	0.7
179.03413	0.6
191.05591	1.8
215.12851	2.5
216.13124	2.1
217.13322	0.4
357.27863	0.4
493.30176	0.4
508.27939	0.6
509.28769	0.5
552.31030	1.3
553.12238	0.5
553.20135	0.6
553.32294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.0
78.01164	0.5
78.95777	28.4
83.04859	0.5
94.58648	0.5
108.35255	0.5
134.98480	0.5
152.99469	5.0
168.04239	5.0
224.06889	11.8
225.07184	0.8
238.14323	0.5
242.07945	2.8
253.21758	2.7
277.21729	100.0
278.22104	11.1
368.79620	0.5
394.69513	0.5
478.29141	0.6
502.29398	67.2
503.29843	10.5
555.72699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94744	0.3
59.01249	1.7
69.41360	2.8
70.34389	0.4
70.39108	0.3
71.01234	0.3
77.88461	0.3
78.95776	7.1
79.95638	0.4
83.04858	0.4
92.87628	0.3
96.95865	0.6
150.68822	0.4
152.99469	1.1
168.04227	1.8
178.07800	0.4
224.06862	1.0
242.07957	3.3
259.21048	0.4
277.21716	100.0
278.22043	9.9
296.22635	0.4
303.69681	0.4
502.29401	26.4
503.29904	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.5
59.01251	100.0
59.99278	2.9
60.01600	3.9
61.98685	4.9
67.01765	2.9
71.01254	20.7
71.38386	6.6
72.99177	2.9
73.02820	9.6
75.00758	3.9
78.95768	34.0
81.03328	3.4
83.01260	3.1
85.02824	14.7
87.00771	3.6
89.02312	11.0
89.15054	2.5
93.03334	7.6
94.59203	2.4
95.01304	3.7
96.95896	9.3
96.96834	8.9
99.00790	4.3
101.02316	15.6
102.36191	2.3
108.02037	7.4
109.02841	12.4
113.02315	14.7
113.37424	2.6
119.03434	3.2
119.04926	4.6
121.02842	10.2
123.04408	4.9
124.01580	4.3
125.02345	5.9
133.02861	3.3
135.00891	2.6
135.04375	14.4
137.02341	10.7
139.03987	3.5
143.13704	2.3
149.02296	3.0
151.03909	4.2
152.01079	6.1
153.01839	4.2
154.48657	2.5
161.02394	5.7
161.04507	5.6
163.03859	5.4
168.04095	2.3
173.04475	8.9
177.01866	7.1
177.09610	2.5
179.03456	3.8
191.05522	21.8
191.07033	4.0
195.02968	7.2
232.68240	2.4
241.01147	3.1
242.05794	2.6
257.08167	6.8
271.06049	3.0
295.02655	2.8
300.03345	2.6
303.25131	3.9
362.38568	2.8
381.10181	3.8
397.09094	4.4
412.16342	2.8
437.02881	2.8
447.29623	25.2
465.08112	2.5
465.30481	8.9
489.13760	2.7
507.28766	3.8
551.22717	6.3
551.31134	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.5
57.03314	1.7
58.00445	0.8
58.70026	0.3
59.01253	24.0
69.03320	0.6
69.49694	3.5
69.50058	0.4
71.01250	13.6
72.99166	0.8
73.02823	7.0
83.01270	2.3
83.04888	0.6
85.02821	4.9
87.00737	1.9
89.02322	8.0
95.01244	1.4
99.00740	1.2
101.02321	11.5
111.00746	0.9
111.08036	0.6
111.99535	0.4
113.02335	5.4
117.50825	0.4
119.03378	2.7
123.08051	1.3
125.02299	0.6
129.01801	0.7
133.33751	0.4
137.09610	1.0
141.09096	0.9
143.03426	0.6
151.03889	0.5
155.10686	1.4
159.02872	0.6
161.04465	1.0
169.12311	0.7
173.04607	0.5
181.79562	0.4
184.10979	0.7
187.13335	1.2
194.24588	0.4
216.13608	0.6
247.86739	0.4
261.18497	0.5
290.85068	0.4
307.22946	0.6
313.10577	0.4
325.23505	0.6
329.23352	0.5
343.24881	1.8
347.24670	0.9
371.24466	1.4
389.25522	2.3
411.90662	0.5
470.18542	0.4
491.28589	4.6
509.29730	2.0
533.29633	1.2
551.30725	100.0
552.31116	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3075
Annotation	Capisterone B
Peak:m/z	Relative Intensity
55.01757	0.8
56.47295	0.5
57.03320	2.0
58.00457	1.1
59.01250	26.6
59.15657	0.5
68.36077	0.6
69.62669	2.9
69.63084	1.3
71.01250	12.6
72.99176	1.3
73.02808	5.1
75.00748	0.6
83.01263	2.7
83.04878	0.9
85.02820	7.2
87.00739	2.4
89.02322	7.1
95.01269	1.1
98.19823	1.0
99.00741	2.0
99.04395	0.8
101.02332	11.1
109.02816	0.8
109.65334	0.4
110.51962	0.5
113.02338	5.6
114.03911	0.5
119.03368	2.5
122.50354	0.6
123.08031	1.8
125.09602	0.7
127.11179	0.6
135.04396	0.8
137.09572	0.7
143.03354	0.7
143.10591	0.5
151.03920	0.7
155.10681	1.3
159.02957	0.5
161.04495	1.3
187.09698	9.0
187.13370	0.6
191.05647	0.6
196.06050	3.4
201.11319	2.7
211.03903	0.5
215.12805	1.2
217.89307	0.6
224.87738	0.4
303.21869	0.6
307.22687	0.6
325.23795	1.1
329.23337	1.1
343.24817	1.2
347.24377	0.8
363.20291	1.2
389.25342	1.7
447.25964	1.0
459.50589	0.6
473.27789	1.0
491.28543	5.2
507.28110	1.9
509.29822	1.7
533.29456	1.6
551.30719	100.0
552.31079	15.1
554.96442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.3
57.03323	13.1
59.01254	31.1
61.18655	0.9
64.90903	0.8
68.14067	0.8
69.65960	1.4
69.66367	5.1
70.45667	0.9
71.01254	12.6
72.19969	0.9
72.99203	1.9
73.02819	18.3
83.01254	2.6
83.04893	2.5
85.02840	4.7
87.00759	2.6
87.04404	1.1
89.02314	9.5
91.05804	0.8
95.01279	1.7
98.59723	0.8
99.00771	1.6
99.04450	1.0
101.02337	11.3
108.02136	1.0
111.00768	2.0
111.08017	1.5
113.02336	5.8
119.03404	2.5
123.08092	1.3
125.02373	1.2
131.55154	0.9
135.04384	1.0
135.08054	1.1
137.08464	0.8
143.03456	0.9
145.08643	0.9
151.11188	2.9
152.05516	0.8
153.09035	1.1
155.10710	1.2
159.02902	1.0
161.04495	1.8
169.12265	33.6
170.12605	2.0
191.05547	2.3
201.11305	1.5
215.12833	42.6
216.13219	1.8
271.02454	1.4
272.02841	1.1
286.91763	1.1
300.02631	2.7
301.03128	2.2
302.03476	2.9
303.04150	1.3
329.23193	1.5
347.24463	1.9
359.24670	1.4
371.24423	1.5
378.18326	1.0
385.46497	1.0
389.25284	1.6
400.31955	1.0
459.25870	2.3
491.28635	10.3
492.68716	1.1
507.10718	2.5
509.29745	4.6
521.29590	1.2
533.29529	14.1
534.29742	1.4
551.30737	100.0
552.31049	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03324	2.3
58.00465	0.9
59.01251	87.9
59.51853	0.5
60.01578	1.0
66.78251	0.4
69.53570	2.9
69.53986	0.8
71.01254	11.0
72.99177	1.1
73.02818	4.2
75.00753	1.1
82.62545	0.5
83.01288	2.2
85.02833	6.1
85.81228	0.5
85.99966	0.5
87.00751	1.3
87.80786	0.4
89.02313	2.5
95.01302	1.0
97.02847	0.6
99.00780	1.4
101.02320	9.0
109.02847	0.5
111.00799	2.1
113.02343	4.5
115.22183	0.4
123.04333	0.5
125.09630	1.9
129.01772	0.5
129.09151	0.9
135.04405	1.2
137.02390	0.5
142.79279	0.5
144.71429	0.5
152.01076	0.5
153.09084	0.6
155.10703	0.7
157.12256	0.8
161.04396	1.1
171.10219	1.8
173.04486	0.6
183.13824	0.8
187.09761	0.5
187.13324	0.5
201.11247	8.1
215.12927	0.5
227.12811	0.8
255.67436	0.5
287.22244	1.7
371.24402	0.7
379.19843	0.7
399.85968	0.5
431.26428	6.1
447.25119	0.8
448.26276	0.5
449.27582	4.4
465.27197	0.7
473.27368	0.8
489.26733	0.6
491.28531	3.4
492.29099	0.8
507.27972	8.3
508.28589	1.0
509.29575	3.0
533.29663	8.5
534.30280	1.4
551.30707	100.0
552.31091	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39608	1.3
55.01765	2.1
57.03321	4.5
58.00452	2.6
59.01252	100.0
67.74981	1.6
69.03333	2.7
71.01257	41.0
71.58182	2.0
72.99191	5.4
73.02816	12.0
75.00768	8.7
78.95774	3.1
83.01260	6.8
85.02820	17.8
87.00755	6.9
89.02321	34.2
92.06837	1.6
92.36070	1.7
93.03339	5.7
95.01255	5.4
96.95907	2.5
97.02843	1.7
99.00745	3.5
99.04398	7.0
101.02319	30.7
101.02924	2.9
108.02049	18.9
109.02846	19.8
111.00746	1.8
113.02335	22.6
119.03396	9.7
119.04906	4.0
121.02871	4.9
121.72943	1.3
125.02300	2.4
131.03387	2.4
135.04411	30.4
137.02350	3.8
139.03925	5.2
143.03377	2.4
148.05193	1.8
152.01053	15.0
152.07094	1.8
153.01843	12.6
159.12253	1.4
161.02382	2.8
161.04478	7.1
163.03903	3.6
163.07567	2.6
165.12767	14.0
173.04385	3.4
175.07507	1.4
177.01912	2.3
179.05533	8.4
183.13823	31.2
191.05525	8.1
191.06972	3.0
191.10764	1.8
195.02855	2.6
209.11737	2.7
213.43129	1.6
227.12831	30.0
228.13200	2.6
239.20081	1.8
257.21194	1.9
261.30634	1.7
263.12842	3.6
267.12128	2.4
303.21869	3.4
313.10861	2.9
329.23218	4.5
341.10898	20.3
346.05673	2.8
359.45578	1.5
371.16922	3.1
375.28024	2.2
389.18063	3.4
389.25458	4.7
419.26953	1.8
429.25385	1.9
447.25845	6.4
455.26544	2.1
461.27310	2.4
465.27014	16.1
475.16183	4.1
479.28961	1.9
491.28867	8.5
507.28094	84.2
508.28592	14.1
551.22571	60.8
551.31073	22.5
552.23230	10.4
552.31085	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.1
57.03331	2.6
59.01254	100.0
66.01910	1.3
69.03342	1.7
69.40318	4.6
69.40744	9.2
71.01259	20.9
72.99204	2.3
73.02824	9.9
75.00763	2.7
83.01294	3.7
83.04881	1.7
85.02828	9.9
87.00780	2.1
87.04400	1.7
89.02335	5.6
91.05421	3.2
93.03323	16.5
95.01263	1.7
97.02794	1.9
98.19846	3.3
99.00753	2.4
101.02335	13.4
109.02877	7.1
113.02336	8.7
113.84445	1.4
121.02842	6.5
131.74387	1.5
133.76190	1.7
135.04416	34.9
137.02359	12.1
158.45908	1.5
173.04492	3.2
191.05530	4.7
191.07069	3.3
215.12860	3.3
227.07108	6.7
231.85841	1.7
280.78534	1.4
313.10773	9.7
347.24237	1.7
387.23746	1.7
389.16144	7.2
389.25577	2.5
397.09290	2.0
443.12131	3.5
447.26053	2.2
465.26697	3.3
489.26907	3.2
491.28503	4.4
507.28046	71.3
508.28494	8.6
509.29639	2.4
533.29437	1.9
551.21881	4.5
551.30573	35.3
552.30896	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	4.0
57.03308	5.6
58.00453	2.3
59.01249	89.0
60.01585	1.5
69.63612	10.3
71.01254	35.2
71.04873	2.3
72.99158	3.5
73.02820	15.7
75.00737	4.9
83.01281	7.3
83.04907	2.3
85.02825	13.5
87.00742	5.0
87.04398	2.7
88.57375	1.3
89.02316	13.8
93.03334	3.4
95.01242	2.8
95.04886	1.6
96.95893	1.3
97.02837	1.4
97.06487	1.8
97.71573	1.2
98.20581	1.7
99.00745	3.0
99.04395	2.9
101.02325	23.8
108.02050	1.9
109.02802	3.5
109.06429	1.3
111.00768	1.8
111.08022	1.4
113.02340	11.3
113.05931	1.6
113.38618	1.4
119.03359	4.1
119.04863	1.6
121.02827	1.6
123.04356	2.1
125.02362	1.7
125.09633	2.5
127.11177	1.4
135.04449	8.3
136.04681	1.6
139.07451	1.7
143.10699	2.0
152.01031	1.9
152.07011	1.5
153.01817	1.8
157.08575	2.6
157.12286	1.8
159.02937	2.5
161.02266	1.5
161.04439	3.8
165.05540	1.5
169.12228	1.4
173.04465	4.1
175.09691	3.2
179.03371	2.3
187.09634	5.5
191.03503	2.2
191.05519	6.9
201.11253	25.8
219.45818	1.3
231.12363	1.8
269.81345	1.6
271.06454	1.3
285.20633	4.0
303.21545	1.8
347.24329	2.7
371.24289	3.5
372.24307	1.7
389.25320	4.2
403.95313	1.4
417.24887	1.6
429.24960	3.0
447.25775	13.3
448.26303	3.0
455.26572	1.7
461.27182	1.9
465.26947	9.9
473.27695	2.9
491.28656	14.8
492.28711	2.7
507.28036	67.7
508.28336	7.7
509.29654	3.7
514.85150	1.6
533.29529	6.4
551.22540	3.5
551.30634	100.0
552.30988	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	4.7
59.01253	91.1
60.01569	4.5
61.98705	4.9
67.01742	6.1
68.99693	4.4
69.03341	4.3
69.34367	7.9
69.34773	32.4
71.01248	20.7
72.99178	5.5
73.02822	16.7
74.02361	18.1
75.00750	17.0
78.95789	7.6
81.03309	6.0
83.01276	13.6
85.02824	15.4
89.02293	5.9
91.05424	7.4
93.03339	17.7
95.01288	15.7
95.04920	8.8
96.95873	51.6
96.96841	5.3
97.02856	8.9
99.00777	8.0
101.02330	12.0
108.02063	7.6
109.02841	46.5
111.00751	17.3
113.02323	13.7
114.93253	6.2
119.04931	32.7
121.02827	61.3
122.03668	5.0
123.00768	24.1
123.04401	43.3
124.01555	31.3
125.02336	22.5
133.02847	11.5
134.03708	6.1
135.04425	53.5
137.02341	39.5
137.05983	6.8
139.00256	34.7
139.03908	22.9
140.01045	28.9
141.01872	10.0
147.04456	17.7
148.05167	6.4
149.02353	42.5
149.06013	14.5
151.03902	30.3
152.01053	8.1
153.01852	29.7
159.04451	12.2
160.05199	7.7
161.02362	22.7
163.03909	15.9
165.01839	16.7
165.05518	10.2
166.02695	18.7
167.03412	67.3
167.07069	7.2
173.04480	7.3
175.03937	8.8
175.07617	7.1
177.01888	5.5
179.03413	9.1
181.05023	5.3
191.05591	20.0
193.04951	7.5
193.08632	14.8
195.06622	7.8
201.05537	4.4
212.08315	4.7
215.07440	4.2
239.07196	4.4
240.04301	12.3
241.04900	20.9
245.11847	7.3
267.06635	5.6
271.09421	4.3
279.06610	6.0
281.04575	6.3
283.06058	4.8
297.07758	7.3
301.10806	11.3
303.12396	8.2
311.09219	10.6
315.08832	6.7
317.10397	5.4
319.11908	14.6
321.07669	5.6
329.10379	46.9
329.13934	4.9
344.07593	13.6
346.10544	5.7
347.11334	100.0
348.11957	8.1
353.10229	7.2
371.10083	9.2
397.09161	4.7
431.11462	8.2
448.38043	4.2
507.28271	6.5
550.32153	5.8
551.16803	23.3
551.29980	27.2
552.18402	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98196	1.0
54.42561	1.1
55.01789	1.5
57.03321	2.7
58.00469	2.7
59.01251	63.5
69.03326	2.0
71.01253	29.7
72.99180	6.9
73.02814	12.3
74.02361	1.8
75.00742	4.1
83.01261	5.1
83.04899	2.6
83.26948	1.1
85.02827	10.5
87.00753	7.7
89.02319	15.1
93.03332	4.7
95.01258	2.5
96.95911	3.1
97.02847	1.1
97.06400	1.2
99.00820	1.0
99.04404	2.4
101.02324	23.9
102.10487	1.0
103.86414	1.3
108.02056	6.1
109.02825	8.0
111.08080	2.8
113.02336	11.1
115.03925	1.1
119.03384	2.9
119.04928	4.8
121.02841	3.5
123.04449	2.6
125.02345	1.7
133.02719	1.3
135.04396	6.1
137.02330	3.5
139.03842	1.8
143.03355	1.8
152.01016	6.1
153.01863	5.2
161.02361	1.7
161.04489	5.5
163.03889	3.7
165.12752	29.9
166.13098	1.5
167.14305	1.3
173.04459	3.1
177.01848	2.4
179.05571	1.3
183.13828	89.2
184.14156	5.0
191.05591	6.4
195.02786	1.4
195.13881	1.5
197.15398	14.1
207.13857	5.0
209.11749	7.1
212.02187	1.2
225.14905	8.7
227.12839	100.0
228.13164	7.1
241.14464	1.7
251.12921	3.2
269.13965	11.1
270.14352	1.9
295.10538	1.2
299.15051	11.1
303.21729	2.2
303.81253	1.1
317.23279	1.3
329.16040	36.9
329.23264	4.0
330.16333	3.5
341.10828	5.1
371.17169	1.8
389.18179	54.5
389.25250	5.0
390.18484	6.5
431.26355	1.1
447.26028	2.1
465.26895	5.1
478.79382	1.2
491.27692	5.6
507.28021	32.9
508.28247	3.4
551.23010	28.5
551.31024	19.0
552.23724	5.8
552.31268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03628	0.2
50.77919	0.2
51.57810	0.2
55.01758	0.6
57.03325	1.7
59.01250	100.0
60.01584	0.8
61.98703	2.4
67.01770	0.2
69.03319	0.5
71.01255	11.4
71.58531	0.3
72.99191	0.7
73.02821	3.6
75.00744	0.6
78.95788	0.4
83.01246	2.5
85.02827	6.1
85.67146	0.2
87.00775	0.9
87.52531	0.2
88.15483	0.2
89.02311	2.5
93.03358	0.7
95.01262	1.5
97.02821	0.4
99.00748	1.2
101.02322	6.6
109.02844	0.6
111.00774	0.3
112.01602	0.3
113.02333	7.1
119.03407	0.6
119.04912	0.3
123.04463	0.2
125.02370	0.7
135.04454	0.7
137.02376	0.6
143.03374	1.0
151.00352	0.2
152.99478	0.4
153.01886	0.3
157.12270	0.5
159.02969	0.3
161.04482	2.1
167.03436	0.2
169.12456	0.2
171.13895	0.4
173.04460	0.3
175.07629	0.3
177.09195	0.5
191.05608	0.7
202.06432	0.3
229.08731	0.5
230.09433	0.8
255.02855	0.2
271.02502	0.3
297.24313	0.2
299.25876	2.0
300.02780	0.6
300.26526	0.2
327.29175	0.3
345.17285	0.3
345.30078	8.3
346.30548	0.8
349.15390	0.2
358.42493	0.3
369.30826	0.2
441.32574	0.5
452.17249	0.3
459.33350	0.4
489.34335	23.9
490.34665	3.9
505.09985	0.4
507.35458	10.0
508.35995	1.9
549.32703	3.7
550.33545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.6
62.86153	0.5
71.01270	2.9
71.57333	0.6
73.02808	1.2
78.95766	0.7
85.02785	1.3
89.02319	2.1
95.30817	0.5
96.95908	1.0
101.02309	3.1
113.02308	1.1
119.03407	0.5
125.09596	0.6
152.99460	1.2
161.04497	0.9
171.10130	0.7
185.11848	0.6
202.37024	0.6
213.11279	0.8
235.08186	1.5
239.12804	0.6
253.09283	12.0
253.21706	100.0
254.22052	8.9
269.12646	0.7
271.02530	0.7
291.19592	1.0
309.20767	2.2
481.25821	0.8
549.28247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
56.88947	0.3
57.03327	1.8
59.01251	100.0
60.01583	1.2
69.03328	0.5
69.88654	1.3
71.01254	15.5
72.99179	0.6
73.02820	4.6
78.95757	0.3
83.01257	2.7
83.31632	0.2
85.02825	8.2
85.99979	0.4
86.03239	0.3
87.00758	0.8
88.40078	0.2
88.98723	0.2
89.02319	2.4
93.03309	0.5
95.01278	2.2
97.02844	0.7
98.20486	0.4
99.00771	1.8
101.02322	8.4
109.02853	0.4
111.00761	0.8
113.02331	9.2
115.03902	0.4
119.03372	0.9
123.04432	0.4
124.01491	0.5
125.02330	1.0
129.01802	0.5
135.04440	0.5
137.02364	0.6
143.03404	1.7
159.02916	0.9
160.62091	0.3
161.04453	4.2
167.12479	0.3
173.04370	0.3
191.05447	0.6
213.18655	0.6
299.25903	1.1
300.02850	0.3
307.36325	0.3
327.29050	0.5
345.30075	4.1
346.30530	0.4
387.30777	0.3
392.22250	0.3
398.87570	0.3
415.30722	0.3
453.31982	0.3
459.33481	0.5
479.95999	0.3
489.34323	37.0
490.34717	6.3
507.35361	20.2
508.35690	3.1
511.76321	0.3
532.59479	0.3
549.36456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14991	0.1
59.01252	3.1
69.39094	0.4
69.39495	1.5
71.01246	1.7
73.02817	0.5
78.95786	1.4
79.95608	2.0
80.75753	0.2
83.01244	0.3
85.02827	0.7
87.00764	0.3
89.02314	0.8
92.40831	0.2
93.03326	0.3
96.95890	100.0
96.96892	2.5
97.95814	0.5
98.02349	0.7
98.95461	0.2
99.92472	0.4
101.02329	1.1
109.02844	0.6
113.02347	0.9
115.91972	0.5
116.92744	0.9
118.98021	0.2
119.03398	0.4
121.02911	0.2
131.03398	0.2
135.00739	0.2
135.04404	0.4
137.02345	1.2
142.02304	0.2
151.03918	0.2
152.01051	0.3
153.01810	0.4
154.02225	0.2
161.04457	0.3
173.04471	0.3
190.02724	0.2
191.05563	0.9
267.06714	0.2
271.02393	0.3
395.07434	0.2
489.27499	0.3
490.34180	0.5
505.15240	0.4
549.12750	0.3
549.29260	1.0
550.29889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66103	0.7
54.70706	0.9
59.01241	3.5
61.98721	0.8
69.03332	3.1
71.01266	1.2
71.04881	4.0
71.57790	1.2
75.99974	0.8
77.17726	0.7
78.95772	5.8
79.62720	0.7
97.06424	0.8
110.98431	2.4
121.02885	1.0
123.08056	1.5
125.09619	3.3
125.22211	0.8
132.02467	0.8
140.11314	0.8
151.11197	1.3
153.12798	4.8
161.09583	2.3
165.12729	2.1
167.01060	1.5
171.10089	1.4
179.10732	9.2
181.12288	12.6
185.02103	2.4
197.11761	54.8
198.12112	3.6
199.13336	53.1
200.13686	3.1
201.11299	1.0
215.12842	3.1
223.09645	1.6
227.12788	1.0
241.10777	100.0
242.11145	5.7
289.17914	0.8
300.02896	0.8
307.19077	3.2
325.20239	1.2
363.25385	2.3
367.15289	9.2
381.26416	1.8
414.77988	0.9
549.28552	15.9
550.29224	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01244	4.8
59.75488	0.9
69.03325	3.6
71.04887	2.8
71.28848	2.5
78.95777	8.7
82.13476	0.9
83.04926	1.6
85.53413	0.9
88.75285	0.9
96.95874	1.8
97.06394	1.0
110.98419	6.5
117.65144	1.0
120.39513	1.0
121.02854	2.4
123.08030	1.9
125.09603	3.4
134.72055	1.1
145.32495	0.9
151.11252	2.2
152.99477	1.5
153.12775	6.9
153.84984	0.9
161.09621	2.2
163.11224	1.2
165.12796	5.5
167.01120	1.9
170.05722	1.7
171.10188	1.0
179.10689	9.7
181.12253	22.1
182.12587	1.6
185.02115	2.8
191.05562	1.3
195.10149	1.2
197.11763	55.7
198.12166	2.2
199.13339	98.6
200.13638	4.1
201.11040	1.2
202.61243	1.0
215.12807	4.9
223.09644	1.3
241.10788	100.0
242.11118	4.8
264.81448	1.1
265.74246	1.1
289.18130	3.3
307.19186	3.8
325.20190	1.4
345.24341	1.3
351.98349	0.9
363.25510	5.2
367.15204	16.4
368.15536	1.3
381.26517	5.9
407.17654	1.5
489.16733	1.5
549.28406	29.3
550.29047	4.2
563.20233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.8
78.95780	12.6
79.08011	1.1
93.03374	1.5
96.95892	1.6
98.19794	2.1
102.86324	1.2
109.02840	2.3
109.06512	1.4
110.98401	11.0
121.02879	2.6
150.21130	1.2
152.99557	1.5
161.02397	1.2
167.01036	4.2
170.05772	3.5
175.18822	1.3
185.02113	8.4
199.13335	6.7
217.46718	1.3
233.19133	2.5
235.20587	1.7
239.09090	1.4
251.20091	8.5
277.18088	76.2
278.18384	8.5
279.16608	1.6
279.19629	35.2
280.20056	3.7
295.19135	100.0
296.19531	9.4
345.24466	3.1
363.25369	20.8
364.25549	2.1
367.15543	1.3
381.26385	6.3
463.21060	13.6
464.21405	1.9
549.28284	38.4
550.28601	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34188	19.9
68.10972	19.2
70.11220	100.0
96.50121	22.8
96.74418	21.9
98.12273	18.9
118.99214	20.1
167.18713	19.3
209.17308	22.4
216.80017	19.6
232.83815	19.7
277.21606	34.9
312.42953	23.8
347.16959	20.6
402.55524	21.3
479.12048	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.4
57.03320	3.7
58.00476	3.9
59.01251	74.1
60.01588	0.8
65.00184	0.5
68.99698	0.5
69.03329	1.0
69.51691	3.9
71.01254	68.9
72.01606	1.2
72.19298	0.4
72.99181	5.7
73.02818	9.8
73.41154	0.5
74.02334	1.0
75.00748	2.0
77.98922	0.4
81.03338	0.5
83.01256	7.6
85.02822	24.6
86.03165	0.6
87.00754	5.4
89.02319	51.2
90.02655	0.9
93.03355	1.3
94.03722	0.5
95.01266	4.6
96.95895	1.4
97.02821	0.7
98.37539	0.6
99.00762	4.3
101.02322	46.2
102.02663	0.8
107.01272	0.9
109.02852	1.1
111.00768	2.5
113.02331	27.1
115.00293	0.5
119.03391	22.6
121.02824	0.7
123.00776	0.5
125.02330	2.7
129.01785	0.8
131.03383	2.4
133.02864	0.5
135.04417	1.0
136.01567	3.9
137.02347	1.0
143.03404	4.2
149.02426	0.4
149.04468	1.7
151.00247	3.6
151.03902	4.2
152.00999	1.0
153.01825	1.0
159.02913	3.5
161.04463	13.0
161.05840	0.9
162.04686	0.7
166.02631	3.4
173.04482	1.5
178.99797	1.3
179.03970	0.7
179.05510	6.3
181.04939	3.8
184.19542	0.4
191.05511	3.8
205.03426	0.8
225.14902	1.1
283.02606	0.6
320.13147	0.6
357.10034	0.7
369.09790	0.7
369.19083	0.9
387.14526	7.0
387.20239	14.7
388.15015	1.1
388.20691	1.4
404.04831	0.7
446.08289	0.5
446.58557	3.1
447.08759	1.0
486.78366	0.5
505.20020	0.8
549.25519	100.0
550.25763	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02069	0.6
55.01746	1.6
57.03324	3.0
58.00466	4.4
59.01252	100.0
60.01559	1.3
70.17046	1.5
70.17428	1.1
71.01254	76.4
72.99191	6.2
73.02819	4.7
75.00723	1.1
78.95789	1.0
83.01272	4.6
85.02827	17.1
86.03216	0.6
87.00764	3.7
89.02318	79.3
90.02666	1.6
90.99624	0.6
93.03320	1.2
94.02050	0.6
95.01254	5.0
96.96853	0.9
99.00761	1.9
101.02325	42.6
102.02654	1.6
109.02809	0.9
113.02332	30.1
114.02637	0.6
117.01849	2.4
117.67362	0.6
119.03391	38.0
120.03773	0.8
131.03395	4.6
137.09621	1.6
143.03419	7.0
147.04411	1.6
149.04488	2.1
159.02899	1.2
161.04465	12.0
173.04570	1.2
179.05531	14.9
188.55809	0.7
189.12872	1.1
191.05522	9.2
207.05005	3.2
207.13875	0.8
219.02930	2.9
239.71361	0.8
275.08279	0.6
317.36130	0.7
369.19250	2.1
387.20255	7.8
388.20477	0.9
404.65335	0.8
549.25549	34.8
550.25812	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33003	0.5
52.32086	0.5
55.01748	1.0
57.03330	1.9
58.00466	5.9
59.01252	98.2
60.01590	1.3
69.48734	4.5
71.01256	77.4
72.01598	1.5
72.99185	7.9
73.02820	1.6
79.17969	0.5
83.01265	2.4
83.95464	0.5
85.02826	11.4
87.00757	4.9
89.02319	100.0
90.02676	1.4
95.01260	4.8
96.95893	1.6
101.02325	35.2
113.02332	29.3
114.02659	0.8
119.03393	38.6
125.02293	0.9
131.03397	4.1
143.03418	8.0
147.04422	0.6
149.04466	3.8
151.03880	1.6
161.04491	7.5
173.04439	0.8
179.05537	21.4
191.05513	1.6
219.02887	0.7
320.63797	0.8
478.08682	0.5
549.25305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.1
57.03317	1.9
58.00471	4.2
59.01252	100.0
60.01597	0.7
63.90361	0.6
69.63483	4.5
70.84906	0.7
71.01254	66.2
72.01593	0.7
72.99181	5.0
73.02811	3.2
75.00763	0.9
79.24039	0.6
83.01279	3.1
83.58738	0.7
85.02819	14.1
87.00736	4.5
89.02318	74.8
90.02660	1.4
95.01269	4.1
99.00768	2.6
101.02324	38.2
102.02687	0.8
106.44335	0.7
113.02328	26.8
114.02689	0.7
119.03391	32.8
131.03383	3.8
137.09604	1.5
143.03384	7.0
149.04468	2.6
159.02914	1.5
161.04463	10.7
179.05527	11.9
189.12857	1.1
225.14857	1.2
369.19272	1.1
387.20184	7.7
499.55023	0.7
549.25494	31.1
550.25977	5.6
565.85931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	5.6
56.95274	1.5
57.03315	3.5
57.38400	1.4
58.00466	4.5
59.01252	100.0
60.01590	1.7
67.61308	1.3
69.62064	11.9
71.01254	88.7
72.99171	9.6
73.02818	16.2
75.00751	4.0
83.01265	9.7
85.02827	25.3
87.00751	8.1
89.02319	80.8
95.01275	8.2
96.18570	1.5
96.95865	3.2
97.02816	2.6
99.00753	10.1
101.02325	67.4
105.01792	4.2
109.02795	1.5
113.02336	47.4
118.97888	1.5
119.03390	33.9
122.82340	1.5
123.08041	6.0
125.02319	3.0
129.01834	1.5
131.03397	4.7
137.09589	1.7
143.03433	10.4
149.04425	5.7
159.02866	2.5
161.04474	24.2
163.11157	5.9
179.05547	19.8
188.31432	1.3
189.12822	8.4
191.05547	4.9
202.72183	1.4
207.13818	11.4
225.14967	4.1
267.09976	1.7
285.22299	1.5
302.03943	1.4
323.09891	3.3
369.19296	3.2
387.20233	35.6
388.20355	2.5
489.19727	6.0
549.25537	61.5
550.26172	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.7
57.03322	6.1
58.00467	5.5
59.01253	100.0
60.99194	1.2
61.89090	1.4
65.00174	1.3
69.03345	2.2
71.01255	87.9
71.58292	1.4
72.01600	2.5
72.97408	2.7
72.99187	8.6
73.02821	17.9
75.00747	5.3
79.79050	1.4
81.03343	1.4
83.01257	10.5
83.04909	1.7
85.02823	34.1
87.00751	11.7
89.02320	86.2
90.02668	1.6
93.03343	5.2
95.01264	9.0
96.95911	5.6
96.96844	1.8
97.02807	5.2
99.00762	14.7
99.04413	2.4
101.02330	70.2
105.01810	1.9
107.01304	1.7
109.02866	3.1
110.02354	1.5
111.00719	2.3
113.02335	44.5
113.05959	1.4
114.02685	2.3
115.03906	1.7
118.97942	2.6
119.03400	32.2
120.03690	1.3
120.97488	1.5
123.00771	1.6
123.04372	2.4
123.08059	2.4
125.02349	4.7
131.03407	7.9
133.02873	2.4
135.04408	5.0
137.02364	2.6
143.03404	9.1
149.04453	12.1
149.05579	1.9
151.00269	4.9
151.03896	2.5
152.00986	1.5
153.01823	2.9
153.09116	1.6
155.03477	1.8
159.02954	2.7
161.04468	27.7
173.04439	4.5
175.02530	1.6
177.09094	2.0
178.99799	2.8
179.03418	1.4
179.03990	1.8
179.05542	19.3
183.06525	2.1
189.12784	5.5
191.05527	18.4
205.12318	1.7
207.13866	2.3
221.06560	2.5
225.14952	1.4
263.07767	1.7
267.09802	1.8
292.53116	3.1
357.15598	4.0
369.09894	2.3
387.20236	22.6
388.20557	2.8
431.19095	2.3
446.58472	1.9
470.02512	1.6
489.19821	45.2
490.20047	5.7
531.23254	2.5
549.17371	1.9
549.25305	42.6
550.17828	1.8
550.25452	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74325	0.7
57.19263	0.9
59.01244	1.5
59.68942	0.8
65.03836	3.5
65.44759	0.7
67.01762	12.4
70.04079	0.7
75.76397	0.7
79.05370	1.2
84.24885	0.7
87.33101	0.7
91.05411	11.5
93.03347	1.6
105.03421	0.8
107.04905	1.5
108.02084	1.3
109.02839	23.8
119.86850	0.7
121.02834	3.1
122.03675	1.1
123.04426	6.4
125.02301	1.0
129.06989	0.8
131.04933	0.9
133.02866	1.1
133.06444	1.4
135.04417	92.2
136.04753	3.7
147.04356	1.1
153.04248	1.4
153.05484	27.2
154.05783	0.9
159.04445	1.4
161.02347	3.5
167.03412	17.4
173.06047	1.8
175.03952	1.0
175.07565	6.0
176.07768	0.9
177.05498	7.9
179.03444	4.7
191.03392	0.8
193.01468	1.0
193.04964	1.4
194.83080	0.7
195.06538	2.6
197.04436	1.8
201.09219	0.8
211.03966	5.6
215.07201	1.0
217.04907	1.2
219.02953	4.5
221.08089	0.9
222.84148	0.7
227.07088	26.7
227.09331	1.5
228.07362	1.7
229.08566	1.0
231.06560	3.9
233.04535	5.0
233.08151	3.1
253.08701	1.7
259.06052	0.9
269.04684	1.6
271.09744	1.7
273.07605	2.1
283.06122	16.8
284.06528	1.2
285.07678	100.0
286.08014	7.9
342.51581	0.7
365.10437	1.0
365.99710	0.8
369.09692	1.3
377.10342	3.9
378.10776	1.2
381.26282	1.3
395.11362	41.6
396.11688	7.2
421.12872	2.3
439.13882	3.1
531.16418	5.8
549.17645	9.6
550.18195	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18235	0.8
55.01754	2.4
57.03315	1.7
58.00467	1.2
59.01250	92.4
60.01601	0.8
60.99170	1.0
62.73160	0.9
67.01760	1.3
69.53025	1.5
69.53430	6.2
71.01257	15.0
72.99182	1.1
73.02812	9.1
74.02335	0.9
81.04451	0.8
82.05813	0.8
83.01251	3.1
83.04868	1.0
85.02821	6.6
87.00760	2.6
88.98671	3.6
89.02333	4.6
91.05398	2.0
93.03335	2.2
95.01296	0.9
96.95898	1.2
97.02847	0.9
98.19744	1.6
99.00734	2.5
101.02319	15.0
109.02839	3.2
109.06453	1.4
111.04361	1.0
111.08002	2.2
113.02338	5.6
115.03933	0.9
117.07013	1.5
119.03378	2.4
121.02835	5.9
129.05412	2.3
135.04410	28.8
136.04723	1.1
136.40955	1.0
137.05966	2.4
139.03833	1.0
139.07532	2.2
147.04446	5.7
151.03876	0.9
152.00963	0.8
153.05441	2.1
161.04482	2.8
161.05978	14.2
161.89769	0.7
163.03922	1.3
165.05478	15.4
173.05956	1.4
179.07037	6.9
181.04985	1.9
190.02640	1.1
191.05524	3.1
191.07051	2.3
205.04939	1.1
241.04932	1.1
242.26340	1.0
255.02942	1.3
258.05316	2.7
271.02499	2.0
300.02695	3.9
301.03442	3.4
301.10767	17.6
302.11124	1.4
327.12271	4.9
369.09741	1.5
385.05750	0.9
387.23608	2.2
393.22571	1.6
417.25070	1.7
429.25006	5.5
447.25912	2.8
489.26874	3.0
503.14890	0.9
505.09622	2.8
505.16486	2.0
505.26559	4.1
507.27997	2.8
531.27924	6.4
548.27557	1.3
549.29120	100.0
550.29456	9.6
556.99188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
59.01261	3.9
65.03831	4.7
67.01760	4.2
70.45639	0.9
70.46030	1.3
79.05407	5.5
89.03826	0.7
91.01766	0.8
91.05428	2.5
93.03357	1.2
105.03378	4.0
107.04905	2.2
109.02839	27.3
110.03152	0.9
111.00765	1.4
121.02843	6.8
123.04411	100.0
124.04737	3.8
131.04893	1.1
131.08601	0.8
133.02855	1.8
135.00726	1.1
135.04405	14.0
136.04866	1.0
147.04419	1.7
149.02365	5.0
153.01836	15.7
155.08591	0.8
157.06522	1.1
159.04443	2.2
161.02348	6.0
161.06100	1.0
163.03903	0.9
165.01894	0.7
165.05501	5.5
167.03418	57.2
168.03745	1.9
171.08028	0.9
173.05991	6.5
175.03961	5.3
175.07545	7.4
179.03423	1.3
183.08063	1.7
191.03508	1.0
191.07129	1.8
198.03305	0.6
199.07611	2.2
201.05492	0.9
201.09073	1.1
203.03497	0.9
203.07187	0.7
205.01321	2.9
211.03958	9.9
212.04369	1.2
215.07082	3.0
217.05069	2.6
219.02895	1.4
219.06563	1.4
219.50705	0.6
225.05516	14.1
227.07086	25.9
228.07379	1.8
240.16270	0.6
241.08665	2.1
245.08139	1.3
269.04733	1.2
271.06113	41.6
272.06403	3.6
281.08234	1.2
285.07849	0.9
300.02652	1.0
307.74344	0.6
325.07010	1.4
326.64038	0.8
333.11432	0.8
337.10806	1.0
339.08859	1.1
349.01712	0.6
355.12073	1.7
363.08676	3.2
377.10272	0.9
381.04892	1.3
381.09814	27.4
382.10352	3.0
395.11368	3.1
421.09158	0.7
436.70230	0.7
439.10583	1.1
487.14185	3.0
488.14523	0.7
505.15457	1.4
513.11511	0.9
531.12994	5.5
532.12842	1.1
549.14093	18.5
550.13824	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18235	0.8
55.01754	2.4
57.03315	1.7
58.00467	1.2
59.01250	92.4
60.01601	0.8
60.99170	1.0
62.73160	0.9
67.01760	1.3
69.53025	1.5
69.53430	6.2
71.01257	15.0
72.99182	1.1
73.02812	9.1
74.02335	0.9
81.04451	0.8
82.05813	0.8
83.01251	3.1
83.04868	1.0
85.02821	6.6
87.00760	2.6
88.98671	3.6
89.02333	4.6
91.05398	2.0
93.03335	2.2
95.01296	0.9
96.95898	1.2
97.02847	0.9
98.19744	1.6
99.00734	2.5
101.02319	15.0
109.02839	3.2
109.06453	1.4
111.04361	1.0
111.08002	2.2
113.02338	5.6
115.03933	0.9
117.07013	1.5
119.03378	2.4
121.02835	5.9
129.05412	2.3
135.04410	28.8
136.04723	1.1
136.40955	1.0
137.05966	2.4
139.03833	1.0
139.07532	2.2
147.04446	5.7
151.03876	0.9
152.00963	0.8
153.05441	2.1
161.04482	2.8
161.05978	14.2
161.89769	0.7
163.03922	1.3
165.05478	15.4
173.05956	1.4
179.07037	6.9
181.04985	1.9
190.02640	1.1
191.05524	3.1
191.07051	2.3
205.04939	1.1
241.04932	1.1
242.26340	1.0
255.02942	1.3
258.05316	2.7
271.02499	2.0
300.02695	3.9
301.03442	3.4
301.10767	17.6
302.11124	1.4
327.12271	4.9
369.09741	1.5
385.05750	0.9
387.23608	2.2
393.22571	1.6
417.25070	1.7
429.25006	5.5
447.25912	2.8
489.26874	3.0
503.14890	0.9
505.09622	2.8
505.16486	2.0
505.26559	4.1
507.27997	2.8
531.27924	6.4
548.27557	1.3
549.29120	100.0
550.29456	9.6
556.99188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72677	0.3
70.03492	1.9
70.65954	0.3
77.03851	2.4
87.56523	0.4
93.03366	0.5
94.91479	0.3
99.11486	0.4
104.44461	0.4
121.02841	100.0
122.03172	3.7
123.87394	0.3
125.21745	0.3
125.58088	0.3
139.09959	0.3
157.95258	0.3
165.01842	56.7
166.02132	2.6
180.05652	0.6
181.06555	2.1
182.06883	0.3
197.06003	2.5
207.04492	0.9
207.08112	0.4
224.21068	0.4
225.05461	1.7
257.09735	0.6
285.09454	0.4
296.53558	0.3
313.07193	1.4
327.00168	0.4
357.05936	0.8
370.71832	0.4
383.07666	0.6
417.09641	2.2
505.11404	1.7
549.10339	20.4
550.10828	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0888
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01260	8.3
65.69669	1.3
69.44307	11.2
69.44714	2.7
71.01249	4.8
72.16743	1.2
89.02306	4.4
98.19743	2.5
101.02328	2.7
105.57798	1.5
107.01247	2.7
109.02850	2.5
119.03422	1.3
123.86911	1.3
138.21980	1.3
151.00296	10.5
163.00378	2.7
178.99763	4.6
179.07088	1.6
211.04021	1.4
211.14925	1.3
224.93089	1.3
226.02747	1.5
227.03467	4.1
243.03018	8.2
254.02223	1.4
255.02965	26.9
256.03348	2.0
271.02496	51.7
272.03088	4.9
292.11197	1.6
299.01898	4.0
300.02753	100.0
301.03464	52.4
302.03754	4.0
305.10391	1.2
333.13721	1.3
382.21292	1.4
387.14566	2.2
463.08636	2.6
505.09851	54.8
506.10190	7.4
549.29083	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16761	0.4
52.69317	0.4
56.05272	0.4
58.32384	0.4
59.01254	2.3
61.44358	0.4
63.02270	0.8
64.30086	0.4
65.00195	1.5
69.45901	2.5
69.46319	1.2
71.01245	0.8
77.32908	0.4
83.01260	1.1
89.02342	0.5
93.03353	0.5
96.95900	1.1
101.02315	0.7
107.01279	4.0
108.02062	2.4
109.02851	2.0
113.02332	0.5
116.92705	1.1
119.01242	0.5
121.02822	2.2
121.71800	0.4
124.01567	0.4
125.02340	0.4
129.32990	0.4
135.00749	1.3
148.01561	2.1
149.02359	0.6
151.00275	12.7
152.01064	0.6
161.02393	0.4
163.00316	3.7
163.03897	0.5
164.01053	1.2
169.01411	0.6
178.26372	0.4
178.99779	5.9
183.04459	0.8
187.03812	0.6
192.00470	0.5
198.03117	0.5
199.03864	2.0
201.01903	0.5
201.05495	0.5
211.03929	1.4
215.03374	1.2
216.04158	0.8
226.02676	2.1
227.03429	4.5
228.03873	0.6
229.04987	0.7
239.03423	0.7
240.04114	0.5
243.02969	13.6
244.03403	1.4
245.04474	1.2
254.02158	2.2
255.02979	32.1
256.03363	3.4
271.02484	70.2
272.02948	6.9
273.03989	1.2
283.02472	1.2
299.01837	2.0
300.02762	100.0
301.03467	48.5
302.03851	4.0
343.04227	0.6
363.51242	0.5
417.15497	0.5
463.08884	3.9
489.27197	0.7
505.09909	63.0
506.10211	11.7
549.29181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03328	1.3
58.00463	0.3
59.01252	100.0
60.01588	1.1
61.98706	2.2
65.03862	0.2
67.01772	0.4
68.99684	0.3
71.01255	9.0
71.04910	0.3
71.07713	0.2
71.08039	0.5
71.51424	0.3
72.99172	0.5
73.02823	2.9
75.00744	0.3
78.95805	0.6
83.01254	1.7
84.38525	0.2
85.02824	5.3
87.00755	1.4
89.02323	3.1
91.05440	0.4
93.03320	1.7
95.01269	1.1
95.32933	0.2
96.95922	0.3
97.02863	0.5
99.00739	1.1
101.02328	5.4
109.02843	1.9
111.00813	0.5
111.04434	0.5
113.02337	6.3
114.02697	0.3
115.03857	0.3
119.03405	0.8
119.04919	3.9
121.02831	0.7
125.02352	0.7
131.03481	0.3
133.02867	0.3
135.04417	3.1
136.04778	0.7
137.02364	2.4
137.04930	0.3
143.03416	0.9
151.03958	0.5
153.01877	0.7
159.02888	0.4
159.04506	0.3
161.02408	0.4
161.04501	2.4
163.03925	0.3
165.01852	0.3
173.04491	2.2
173.05870	0.4
175.07552	0.4
179.03432	1.0
189.09091	0.5
191.05547	3.0
192.06035	0.3
194.71918	0.3
197.15393	0.5
203.07176	0.3
216.07825	0.3
231.10330	1.1
297.24484	1.7
311.21799	0.4
325.14584	1.1
343.28519	7.3
344.28751	0.5
362.93954	0.3
385.22324	0.4
457.31927	0.6
469.31943	0.4
487.32800	14.5
488.33197	2.1
505.33813	6.7
506.34378	0.9
519.13068	0.6
547.12750	0.7
547.21387	1.0
547.31622	1.0
548.22876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06915	0.4
57.04184	0.4
59.01247	0.8
61.98689	1.0
69.37529	1.8
69.37958	2.2
78.95774	8.1
82.96644	0.4
107.74529	0.4
110.98433	4.0
116.92693	0.5
167.01041	1.9
179.89162	1.3
185.02113	4.4
193.90663	0.9
196.89384	1.5
283.52310	0.4
286.80408	0.5
289.17789	0.4
326.25266	0.4
347.25858	7.6
348.26297	1.0
349.27319	0.5
356.23215	0.5
379.28510	100.0
380.28818	14.2
430.20480	0.4
485.99182	0.5
547.17584	1.6
547.30145	5.2
547.36609	0.5
548.30914	0.7
548.70709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97361	0.3
55.01753	1.2
57.03325	2.5
57.23769	0.3
59.01251	100.0
60.01588	1.2
60.57266	0.3
61.98703	0.9
67.01785	0.4
68.94203	0.3
69.03339	0.4
69.47887	2.4
70.45194	0.3
71.01252	17.5
72.99187	1.2
73.02820	5.7
73.77378	0.3
83.01266	3.3
85.02824	9.2
85.99977	0.4
87.00748	1.9
89.02322	3.0
92.05772	0.3
93.03349	1.4
95.01257	1.5
96.95886	0.5
97.02827	0.6
99.00777	2.0
101.02325	9.8
108.02055	1.1
109.02847	1.1
111.00787	0.8
111.49117	0.3
113.02333	11.0
115.03935	0.5
119.03400	0.9
119.04885	0.6
119.61373	0.3
121.02841	0.5
123.04396	0.4
125.02345	1.2
125.09632	0.3
131.16586	0.4
135.04408	3.4
136.04778	0.8
137.02335	0.6
143.03406	1.5
152.01064	1.0
153.01834	0.9
159.02905	0.9
161.04451	5.3
161.05656	0.3
164.64705	0.3
173.04501	1.5
173.05853	0.3
187.00060	0.3
189.09146	0.3
191.05542	1.6
213.18701	0.5
217.08452	0.3
231.10306	0.5
231.60326	0.3
238.18028	0.3
279.23364	0.8
297.24316	0.4
341.13873	0.3
343.14618	1.1
343.28391	4.8
344.28906	0.4
375.23807	0.3
390.24362	0.4
439.30630	0.3
457.32184	0.4
487.32761	30.2
488.33087	4.6
503.19733	0.7
505.33871	20.5
506.34161	3.5
547.19147	0.4
547.30792	2.4
548.46301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
58.00455	0.3
59.01251	100.0
60.01587	1.3
61.98703	0.7
66.81619	0.3
67.97396	0.3
69.03353	0.4
70.55963	1.3
71.01254	3.8
72.09085	0.4
72.99181	0.6
73.02811	1.7
83.01276	0.9
83.04929	0.5
85.02827	1.9
87.00772	1.3
89.02313	1.7
91.05353	0.4
93.03326	2.0
95.01295	0.3
96.95900	0.5
99.00773	0.4
99.04425	0.5
101.02328	3.0
101.15623	0.3
107.23534	0.3
108.02084	0.8
109.02876	1.5
111.00805	0.4
111.04469	0.5
113.02348	2.0
119.03388	0.5
119.04953	0.4
121.02853	1.1
123.04412	0.8
125.02323	0.9
133.02849	0.4
135.04413	6.2
136.04776	1.4
137.02376	1.2
137.04936	0.4
147.04480	0.6
148.01593	0.5
149.02376	0.9
149.06017	0.6
151.00237	0.5
151.03926	0.6
159.02959	0.5
161.02354	0.7
161.04472	0.7
161.05893	0.3
163.03894	0.5
166.02573	0.3
167.03468	1.0
173.04485	2.8
175.07596	0.5
177.01953	0.8
178.02705	0.3
179.03404	0.6
187.07603	0.5
189.05632	0.3
191.05519	2.6
193.01341	2.5
201.09201	0.4
202.09419	0.6
205.01389	0.4
205.08629	1.9
206.02115	0.9
206.09006	1.0
207.09230	0.9
215.13016	0.7
219.10146	0.5
220.10648	0.5
221.01199	0.4
227.03319	0.4
234.01672	0.5
240.04291	0.6
241.05040	0.6
242.05746	0.3
243.02875	0.6
253.04898	0.6
255.03035	0.8
267.06738	0.9
269.04626	1.2
271.02460	3.7
272.02966	0.7
285.04041	0.5
297.04141	0.8
300.02866	1.2
301.03360	0.7
307.09656	2.0
314.04282	0.4
317.46310	0.3
325.10791	3.7
326.11057	0.5
342.03775	9.8
342.07666	0.6
342.14468	0.6
343.04489	8.0
343.14737	0.6
344.04950	0.8
367.21353	0.5
373.25949	0.6
385.22473	1.4
427.23291	5.1
428.23746	0.7
445.24597	1.4
487.25702	0.5
547.10510	4.8
547.28796	2.8
548.11737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83062	1.9
55.01762	2.9
56.60955	1.7
57.03314	4.4
59.01254	66.2
62.72857	1.7
63.89944	1.8
69.64892	13.7
71.01256	63.3
72.99181	5.4
73.02818	8.5
75.00732	2.6
83.01268	8.7
85.02822	36.7
87.00758	4.1
87.39046	1.9
89.01770	2.5
89.02318	49.5
93.03330	3.1
95.01252	9.4
96.95895	4.0
97.02832	3.2
99.00777	8.2
101.02325	49.9
109.02830	4.5
113.02333	67.2
114.02708	3.1
118.97964	11.4
119.03393	21.1
125.02377	2.8
131.03448	2.4
138.06781	5.3
139.07515	2.6
143.03400	10.0
149.04527	2.2
151.07576	5.9
152.08347	13.0
153.09145	21.2
161.04474	35.1
163.11208	3.5
165.09143	1.9
173.04523	2.4
177.01871	1.9
179.05516	14.2
191.05537	9.3
192.05760	2.3
205.12315	21.0
221.06416	2.1
223.13335	13.2
323.09839	10.9
355.04370	2.0
385.18643	24.7
386.19275	3.7
387.80292	2.1
446.08850	3.2
477.63895	2.3
547.24072	100.0
548.24323	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
58.00455	0.3
59.01251	100.0
60.01587	1.3
61.98703	0.7
66.81619	0.3
67.97396	0.3
69.03353	0.4
70.55963	1.3
71.01254	3.8
72.09085	0.4
72.99181	0.6
73.02811	1.7
83.01276	0.9
83.04929	0.5
85.02827	1.9
87.00772	1.3
89.02313	1.7
91.05353	0.4
93.03326	2.0
95.01295	0.3
96.95900	0.5
99.00773	0.4
99.04425	0.5
101.02328	3.0
101.15623	0.3
107.23534	0.3
108.02084	0.8
109.02876	1.5
111.00805	0.4
111.04469	0.5
113.02348	2.0
119.03388	0.5
119.04953	0.4
121.02853	1.1
123.04412	0.8
125.02323	0.9
133.02849	0.4
135.04413	6.2
136.04776	1.4
137.02376	1.2
137.04936	0.4
147.04480	0.6
148.01593	0.5
149.02376	0.9
149.06017	0.6
151.00237	0.5
151.03926	0.6
159.02959	0.5
161.02354	0.7
161.04472	0.7
161.05893	0.3
163.03894	0.5
166.02573	0.3
167.03468	1.0
173.04485	2.8
175.07596	0.5
177.01953	0.8
178.02705	0.3
179.03404	0.6
187.07603	0.5
189.05632	0.3
191.05519	2.6
193.01341	2.5
201.09201	0.4
202.09419	0.6
205.01389	0.4
205.08629	1.9
206.02115	0.9
206.09006	1.0
207.09230	0.9
215.13016	0.7
219.10146	0.5
220.10648	0.5
221.01199	0.4
227.03319	0.4
234.01672	0.5
240.04291	0.6
241.05040	0.6
242.05746	0.3
243.02875	0.6
253.04898	0.6
255.03035	0.8
267.06738	0.9
269.04626	1.2
271.02460	3.7
272.02966	0.7
285.04041	0.5
297.04141	0.8
300.02866	1.2
301.03360	0.7
307.09656	2.0
314.04282	0.4
317.46310	0.3
325.10791	3.7
326.11057	0.5
342.03775	9.8
342.07666	0.6
342.14468	0.6
343.04489	8.0
343.14737	0.6
344.04950	0.8
367.21353	0.5
373.25949	0.6
385.22473	1.4
427.23291	5.1
428.23746	0.7
445.24597	1.4
487.25702	0.5
547.10510	4.8
547.28796	2.8
548.11737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46609	1.7
54.14823	1.4
57.03310	3.2
57.22290	1.5
58.00470	2.2
59.01250	100.0
61.98708	11.4
65.03849	1.8
65.63943	1.9
69.03376	1.7
71.01252	24.0
72.99162	2.6
73.02817	14.4
74.03160	1.6
78.75302	1.5
78.95785	1.9
83.01263	7.9
85.02818	11.5
87.00754	4.4
89.02325	5.6
91.05406	6.0
92.93058	1.7
93.03335	11.8
95.01300	3.7
98.20654	3.9
99.00774	2.7
101.02326	16.4
107.04861	2.5
108.02059	4.5
109.02835	11.0
113.02307	11.5
119.04916	7.8
121.02071	2.0
121.02850	17.5
134.03622	5.3
135.04407	55.7
136.04715	3.9
137.03310	1.7
137.09612	3.6
143.03386	2.5
147.04422	12.6
147.19000	1.8
148.05225	2.0
149.05983	7.3
152.01044	2.2
153.01839	3.8
159.02957	2.1
159.04399	2.4
161.04468	5.6
162.00670	1.7
163.07605	2.1
171.10156	2.3
173.04486	11.1
173.05902	3.3
177.05415	1.8
177.09117	4.6
187.07480	2.0
189.09152	25.3
191.05492	17.1
192.05838	2.9
203.10707	26.3
204.11154	1.9
215.10730	5.3
221.11691	1.9
229.08635	1.7
231.10110	5.3
301.03387	2.2
307.13382	2.1
325.14450	52.5
326.14758	4.1
343.15421	2.2
343.29028	2.6
397.15549	3.7
411.16452	3.1
487.19421	3.2
487.33047	10.7
488.33154	1.9
505.33762	3.4
529.29700	4.3
546.29761	8.6
547.21625	13.4
547.30920	37.6
548.22668	2.1
548.31018	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57295	1.1
57.03343	1.3
59.01256	36.4
60.99179	15.1
61.35461	1.2
67.01765	3.2
71.01256	8.6
71.19189	2.3
71.19562	2.0
73.02829	4.9
75.00765	1.9
75.31060	1.0
77.69609	1.0
83.01279	2.5
83.04900	1.0
85.02827	4.5
87.00760	2.3
88.98683	100.0
89.02320	5.4
93.03349	4.8
96.95895	2.2
99.00768	2.0
101.02335	6.3
108.02080	3.3
109.02842	3.8
111.04384	1.5
113.02353	3.9
117.06966	3.0
119.04928	5.4
121.02833	2.5
123.04415	1.6
125.02335	1.6
129.46425	1.1
133.02904	1.3
134.03644	6.7
134.48283	1.4
135.04420	28.8
136.04791	1.8
137.02356	2.0
147.04431	8.8
147.08040	1.2
148.05164	1.9
149.04666	0.9
149.06006	4.8
152.01047	2.5
153.01852	2.9
153.05501	6.5
160.05231	1.8
161.02357	1.7
161.04596	2.0
161.05991	36.9
162.06346	1.6
163.03938	2.9
163.07593	2.7
165.05498	45.3
166.05872	2.7
173.04503	2.4
173.05951	1.3
175.07576	7.9
177.01913	1.4
179.03551	1.5
179.07054	17.3
185.06068	1.2
187.07634	2.0
189.09145	8.5
191.05521	4.9
191.07111	9.3
193.08583	8.0
201.09177	7.8
205.08655	20.2
206.08998	2.1
219.10220	55.9
220.10588	3.2
231.10291	11.2
241.05006	1.3
251.83470	1.2
255.06630	2.3
315.07159	1.4
325.10910	6.0
373.26001	1.4
385.16638	38.5
385.21948	2.4
386.16891	3.9
503.25220	5.3
505.27603	1.3
529.26929	1.4
547.20166	2.6
547.27570	12.0
548.28503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.55229	8.4
71.01246	26.3
73.02817	28.0
83.01257	6.7
85.02819	7.8
87.00771	3.5
89.02319	5.8
91.05386	3.8
93.03326	2.8
101.02321	28.0
109.02821	3.8
111.00816	2.5
113.02323	12.0
119.04910	14.8
135.04411	15.6
149.04469	2.8
149.81444	2.6
161.04454	5.9
163.03973	3.7
168.41721	2.2
173.04436	7.8
191.05507	7.8
281.11938	3.5
325.10757	2.9
361.23691	2.5
487.32892	17.8
503.19424	6.2
505.33688	10.1
547.30798	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
59.01255	2.0
65.03831	3.7
67.01762	2.1
69.25832	6.0
69.26257	3.7
71.57854	0.8
79.05404	6.5
86.86827	0.8
89.45621	0.8
91.05436	2.1
93.03323	1.2
96.95844	1.3
105.03349	2.5
107.04925	4.5
108.02023	1.1
109.02840	23.5
112.07502	0.8
114.11761	0.8
119.04932	1.0
121.02811	6.1
123.04415	82.4
124.04767	3.2
131.08504	1.3
133.02870	2.0
135.04416	11.6
147.04469	1.4
148.01535	1.9
149.02338	3.2
149.06006	0.9
151.03918	57.3
152.04266	1.8
161.02341	4.2
165.05457	6.6
167.03400	16.6
173.05963	1.5
175.03951	1.5
175.07539	5.0
177.01846	3.6
179.03429	3.2
193.05006	7.1
195.02907	2.2
205.04959	1.0
211.03885	5.9
217.04939	1.2
219.02916	5.9
223.90158	0.9
227.07082	24.0
228.07431	1.2
231.06636	3.6
233.04541	5.7
233.08203	3.2
257.08096	1.4
269.04434	2.6
269.08105	1.0
273.07755	2.0
283.06140	14.8
285.07687	100.0
286.08044	7.6
339.16101	1.4
377.10336	2.6
388.46790	0.9
395.11325	44.1
396.11444	4.9
419.11505	2.4
437.12296	3.6
477.97952	1.0
529.15155	6.2
547.16119	14.6
548.16791	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.6
59.01255	100.0
60.32934	1.9
61.88286	2.1
67.01778	2.6
71.01258	37.9
72.99167	4.7
73.02825	20.2
75.00742	4.0
81.03347	2.1
83.01233	5.3
85.02831	12.9
86.89912	1.9
87.00752	5.3
88.98682	8.2
89.02320	25.0
93.03352	4.5
96.95900	8.0
97.02843	2.7
98.20592	3.5
99.00759	6.1
99.04416	3.2
101.02332	25.2
108.02057	5.9
109.02835	7.6
111.04422	2.6
113.02328	15.5
119.03409	5.7
119.04914	2.7
121.02842	16.1
122.03163	3.0
123.04408	4.1
129.01842	2.9
131.03368	3.6
133.02824	6.1
135.02881	3.2
135.04413	8.6
137.02328	7.5
147.04443	7.8
148.01599	2.4
149.02319	3.1
149.04465	4.1
151.00278	7.3
152.00917	2.5
153.01842	7.5
154.07561	2.3
159.04413	8.6
161.02367	4.6
161.04477	5.3
173.04440	5.7
177.05408	4.8
178.99835	4.5
179.05490	2.7
191.05568	12.6
227.03554	4.1
229.71104	2.5
243.02971	5.2
248.73624	2.1
251.12766	2.7
255.03069	12.2
270.01553	2.8
271.02524	24.7
281.08231	7.1
285.04117	3.0
294.04895	2.4
298.01132	4.2
299.01929	9.8
299.09274	21.9
300.02795	39.0
301.03522	23.8
325.10916	5.1
343.11768	7.2
344.12259	2.6
431.19043	4.5
487.25400	3.5
503.15649	3.1
503.25284	2.6
529.26312	2.7
547.10785	12.4
547.19739	3.9
547.27655	78.3
548.11517	3.5
548.28241	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	5.7
59.01252	100.0
66.52964	2.5
66.83279	2.6
67.01753	5.9
69.33540	28.3
71.01250	30.8
71.04868	4.1
72.99171	2.7
73.02825	21.0
79.03291	2.5
83.01250	7.1
85.02837	15.6
87.00764	6.4
88.43491	2.5
88.98690	7.3
89.02313	15.8
90.98457	37.8
93.03329	12.8
95.01311	2.9
96.95901	7.2
99.00762	3.0
101.02317	26.9
108.02054	7.6
109.02834	22.9
111.04379	4.0
113.02306	16.2
119.03418	6.2
119.04886	5.9
121.02821	12.9
123.04400	11.4
125.02343	3.3
129.05426	3.6
133.02840	12.2
135.04399	29.1
137.02306	4.0
137.05902	3.0
147.04437	5.4
149.02338	4.7
152.01065	5.3
153.01880	18.4
153.05510	10.9
159.04408	13.8
161.02356	3.0
161.04616	4.5
161.06004	15.4
165.05475	14.8
173.04405	17.1
175.07590	2.9
177.01891	5.4
179.05655	2.7
179.07034	8.6
189.09094	6.7
191.05528	20.1
191.07071	4.5
193.08609	7.8
201.09192	3.5
205.05019	4.2
205.08612	9.1
219.10242	40.7
227.03561	3.8
231.10281	5.9
255.03000	7.1
281.08231	34.4
282.08643	3.5
284.03284	5.5
285.03931	7.0
300.02710	4.5
325.10797	9.0
367.21033	4.0
373.25894	3.7
385.16635	11.6
385.21948	6.1
503.15723	20.2
503.23172	3.7
505.26007	5.2
547.14758	5.0
547.27850	54.6
548.28113	6.7
563.51624	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03312	3.5
59.01251	25.6
69.03310	2.8
70.55044	1.6
70.55432	1.8
71.00893	1.3
71.01252	14.7
71.04875	2.2
72.99188	1.2
73.02823	3.6
81.03351	1.3
83.01252	2.4
83.04895	1.9
84.47485	0.8
85.02816	6.0
85.06469	0.9
87.00755	3.2
89.02312	11.5
93.03326	2.9
95.01251	0.9
95.04886	0.8
97.02801	1.9
97.06480	1.0
99.00703	0.8
100.01869	0.8
101.01679	0.5
101.02315	14.4
105.33092	0.8
107.08564	0.8
109.06449	2.2
110.27378	0.9
111.04388	1.8
111.08038	7.1
113.02319	8.8
114.02627	0.8
119.03371	2.4
123.07912	0.7
127.07502	1.0
135.04401	1.0
137.09625	5.8
143.03386	1.8
151.63843	0.7
161.04434	5.9
167.10648	0.8
169.12241	2.0
171.10187	11.3
173.04494	4.1
177.12674	0.8
179.05490	2.3
179.10623	1.5
179.14346	1.8
183.13902	0.8
191.05527	11.1
195.13828	9.1
196.74519	0.8
197.11774	24.7
198.12184	1.6
199.13397	1.4
211.13342	2.9
215.07060	1.5
221.15402	6.3
223.13321	2.6
229.08582	1.2
239.16399	2.2
247.20633	2.1
251.16519	2.1
253.09258	50.6
254.09622	2.4
256.07248	1.0
263.20050	1.5
273.18546	2.8
285.03964	1.1
291.19662	39.7
292.20001	4.7
309.20706	100.0
310.21045	10.2
340.00531	0.8
402.66434	0.8
428.82040	0.8
503.31924	0.7
527.28314	1.8
537.25128	0.9
545.29633	26.0
546.29913	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28634	0.4
55.01749	0.9
59.01253	11.1
61.98700	0.6
65.03834	0.8
67.01768	1.1
69.36441	4.8
71.01255	4.3
72.99207	0.6
73.02824	2.1
78.95815	0.4
79.05396	4.2
83.01280	1.0
83.04879	0.6
85.02824	2.0
87.00748	1.0
88.98702	0.4
89.02322	1.8
90.98470	2.2
91.05418	1.4
92.05801	0.6
93.03326	2.1
95.04903	0.6
96.95866	0.9
99.00754	0.7
101.02325	2.6
105.06967	0.7
107.04916	2.7
108.02061	1.1
109.02838	3.3
111.00751	0.6
113.02323	1.5
116.92781	0.6
117.03352	33.3
118.03661	0.9
119.04917	3.2
121.02845	10.5
122.03149	1.4
123.04411	63.3
124.04750	2.3
125.02371	0.5
133.02855	3.8
134.03697	0.5
135.04424	18.2
136.04765	4.6
137.02313	1.4
137.05000	0.5
141.09082	0.6
145.02852	2.6
147.04416	5.2
148.01576	1.0
148.04855	1.2
149.02356	1.2
149.05908	0.8
151.03915	39.5
152.04233	1.2
153.01845	1.6
161.02359	3.5
161.05995	1.3
163.03922	6.5
163.07556	2.0
164.07857	0.8
165.01837	2.9
165.05458	0.9
167.03384	0.5
173.02356	4.5
173.04512	2.4
173.05875	0.8
174.03079	0.5
175.03934	1.3
175.07501	0.6
177.01906	2.2
177.05495	1.6
178.02428	0.5
179.03406	1.6
187.03929	0.6
187.07542	0.9
188.07854	0.5
189.01831	0.9
189.05464	0.6
189.09161	6.6
190.09489	4.8
191.03442	0.8
191.05537	2.6
191.09796	1.2
192.00578	0.8
195.09235	0.5
197.08183	0.8
201.05518	0.7
201.09142	1.4
202.09520	1.0
205.01349	0.6
205.05217	0.5
205.08601	4.5
206.08972	3.1
207.09259	1.2
217.01373	56.6
218.01785	3.1
219.10240	6.8
220.10521	4.0
221.10786	1.7
223.07504	0.7
227.03455	1.1
231.10240	0.6
240.20163	0.5
247.07556	0.6
253.05048	2.4
255.03023	1.1
264.04446	0.7
267.06693	1.0
284.03201	1.4
285.04083	1.9
291.06689	1.3
292.03699	0.6
293.04568	1.5
309.03851	1.1
312.06210	0.9
325.10764	5.7
326.11301	0.6
335.05490	1.0
337.03586	3.3
340.05466	0.5
341.06766	3.4
341.13879	2.1
342.14212	2.9
343.14722	2.3
349.07059	0.6
355.08133	0.6
367.21051	0.7
368.05173	1.9
369.06128	100.0
370.06430	11.1
373.25912	4.1
377.06723	2.9
385.22299	2.0
427.23474	0.6
437.08630	1.0
492.58368	0.5
503.25241	2.2
505.11554	1.7
529.11139	1.4
529.18414	0.6
547.13147	1.2
547.20337	1.1
547.27374	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.4
59.01248	18.8
66.87266	0.9
69.03331	1.3
69.49161	7.9
71.01255	10.4
71.43456	0.8
73.02821	2.5
83.01266	1.7
84.07378	0.8
85.02834	4.1
87.00751	2.6
89.02321	12.5
93.03352	2.2
97.02815	2.1
101.02322	12.1
111.08050	16.7
113.02329	6.2
119.03370	4.5
135.04388	1.1
137.09590	1.3
143.03409	1.2
143.09613	0.8
153.12796	1.8
161.04459	5.0
169.12241	7.5
171.10210	2.1
173.04486	1.6
179.05527	2.1
181.12305	1.5
183.13783	1.5
191.05487	5.7
197.11766	82.1
198.12106	4.0
199.13310	4.9
211.13333	10.4
225.14908	3.1
227.12852	3.5
230.11891	0.9
234.35063	1.0
247.20561	1.1
253.09274	50.7
254.09613	2.7
263.20114	5.5
265.18127	2.2
273.18622	1.8
291.19681	30.3
292.20001	2.8
309.20706	100.0
310.21045	8.4
545.29602	2.9
546.29724	1.5
552.15424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03308	1.5
58.00470	0.6
59.01250	13.4
65.71743	0.5
67.01756	0.9
69.03324	0.8
69.48831	4.0
69.98844	0.4
70.64945	0.5
71.01257	7.1
72.99173	0.9
73.02821	1.7
83.01257	1.0
83.04876	0.9
85.02831	2.8
87.00748	1.6
89.02322	6.1
92.57210	0.4
93.03327	4.7
95.01245	0.4
97.02866	0.4
97.06467	1.6
99.00739	0.6
101.02327	8.1
102.15768	0.4
109.02853	1.0
109.06490	0.7
111.04408	0.7
111.08052	0.6
113.02314	3.2
113.05976	0.5
113.09609	2.1
115.07545	1.1
119.03387	1.6
121.29364	0.4
135.04401	2.1
137.02339	0.8
139.11168	0.5
141.09062	0.6
143.03395	0.8
161.04501	2.3
161.05791	0.7
165.12735	2.3
167.10686	1.1
167.14319	1.1
173.04497	5.9
177.01892	1.1
179.05545	1.0
179.07048	0.5
181.12238	2.2
186.06760	0.5
187.07538	0.5
191.05553	13.5
192.05879	0.8
193.12216	1.0
195.13818	2.1
211.13310	2.4
213.14861	0.6
215.07074	2.1
218.98320	0.6
221.15416	1.9
222.15819	0.5
229.08582	0.7
229.14400	0.8
240.13730	1.1
245.19107	0.5
247.20636	3.8
253.09271	20.7
254.09586	1.3
255.02861	0.6
263.20166	0.6
267.37274	0.5
273.18661	2.0
276.86475	0.5
281.21210	0.8
289.18057	1.3
290.18524	0.7
291.19662	31.0
292.19962	3.0
293.08197	0.6
307.19235	0.8
308.19522	0.6
309.20706	100.0
310.21057	10.3
341.23077	0.6
352.73166	0.5
358.59219	0.6
393.13498	0.5
545.20844	0.7
545.29547	12.3
546.29846	1.8
552.86969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56528	0.4
55.01757	0.7
57.03332	3.9
59.01251	22.2
67.01765	1.3
69.03328	1.6
71.01254	11.7
71.04894	2.7
72.99178	1.2
73.02815	2.4
77.56233	0.5
81.03332	0.9
83.01260	1.4
83.04906	2.7
85.02820	5.1
85.06459	2.3
87.00751	2.9
87.04404	1.0
89.02321	11.3
93.03332	6.4
95.01251	0.9
95.04910	0.8
97.02833	2.0
97.06461	1.2
98.03597	0.7
98.70610	0.4
99.00734	0.9
101.02317	9.2
107.04917	0.6
108.02113	0.4
109.02847	1.3
109.06460	2.6
111.04401	2.5
111.08024	1.1
113.02328	5.7
119.03401	2.6
121.02858	0.5
123.04406	1.5
125.02319	0.5
125.05975	0.5
127.07569	0.8
129.09148	0.6
131.03409	0.4
133.02780	0.5
135.04420	2.3
135.72211	0.4
137.02400	0.9
137.09608	1.0
143.03400	0.7
151.00285	0.8
151.03896	1.6
155.03342	0.6
159.04340	0.7
161.02328	0.6
161.04449	5.3
165.01849	0.6
167.10648	1.1
169.12280	0.6
171.10210	0.9
173.04492	8.4
173.05942	0.6
179.05540	2.3
179.10703	0.5
179.14319	1.8
181.12250	0.7
183.13782	1.5
186.06815	0.9
187.03970	0.6
187.07509	1.3
191.05548	16.8
191.10715	0.4
192.05847	0.8
193.04880	0.4
195.13850	14.9
196.14075	0.8
200.04659	0.8
201.05457	0.9
201.09006	0.5
201.70972	0.5
203.06958	0.7
205.12175	0.5
209.15480	1.1
211.07776	0.5
211.13364	0.5
214.06207	0.9
215.07071	3.7
217.16069	0.6
221.15431	8.5
223.13354	5.7
223.16821	0.7
229.05054	0.5
229.08676	1.4
229.19556	0.6
231.06602	2.0
233.15395	1.6
235.17024	0.9
239.16454	2.1
247.20636	1.7
247.38687	0.4
251.16576	2.0
253.09264	39.5
254.09628	1.6
255.06583	1.0
256.07373	1.4
265.18176	0.5
265.22256	0.4
273.18619	2.1
274.08380	0.5
281.21063	0.6
283.06277	0.5
285.03973	0.6
291.19669	27.8
292.19989	3.0
309.20709	100.0
310.21051	8.8
341.14020	0.9
393.09714	2.4
411.13159	0.4
448.10129	0.7
465.09274	0.4
503.32144	0.5
536.10748	0.5
545.20227	3.2
545.29651	3.5
546.29712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03325	1.3
58.00476	2.5
59.01254	100.0
60.01589	1.3
69.03326	1.0
71.01256	38.6
71.58793	0.9
72.99187	2.1
73.02821	38.5
74.03163	1.1
75.00770	1.7
83.01267	11.9
85.02823	7.2
86.97617	0.6
87.00780	2.2
89.02321	18.2
93.03355	1.5
95.01295	2.3
96.95911	1.3
97.02843	0.7
99.00775	1.1
100.38988	0.5
101.02329	41.9
102.02653	0.8
109.02868	0.7
111.04455	1.1
113.02337	18.6
115.00285	0.6
119.03391	9.7
121.02821	0.6
122.06051	1.0
125.02338	1.3
131.03398	4.9
133.01360	1.2
134.06067	0.9
135.04457	1.3
137.02313	0.6
143.03439	4.1
149.04475	5.9
155.03477	1.5
161.02394	0.5
161.04477	11.9
162.05556	0.7
163.05894	0.8
164.54904	0.6
170.51958	0.8
173.04570	2.0
175.14879	0.8
177.01971	0.6
179.05592	2.0
191.05540	4.6
203.05490	1.0
203.07288	0.7
203.14304	1.1
221.06668	2.5
233.15456	9.6
233.17784	0.7
234.15977	0.7
245.15575	1.3
249.11378	0.7
395.20554	3.5
413.22110	1.6
455.23071	2.5
501.17581	1.0
527.15948	0.6
530.77008	0.6
545.19501	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81054	1.5
58.71310	1.3
59.00989	2.0
59.01254	24.4
61.86992	1.1
61.98705	1.6
62.81429	1.2
66.62954	1.2
69.86897	6.7
71.01246	4.8
85.02831	2.0
87.00744	1.4
89.02309	2.2
93.03343	1.7
96.95866	2.1
101.02335	4.3
109.02813	1.6
113.02341	2.1
119.03384	1.4
135.04361	2.2
137.02312	1.8
153.72269	1.5
189.99747	1.4
191.05530	4.3
235.08145	1.7
249.18578	100.0
250.18915	8.5
253.09293	17.0
255.06587	1.9
309.20694	3.2
545.34766	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.0
57.03336	2.9
58.00483	0.7
59.01252	100.0
60.01587	0.9
60.99173	0.8
62.81256	0.6
67.01742	0.9
68.94384	0.7
69.03341	1.2
70.95377	0.6
71.01255	21.0
72.99187	2.5
73.02822	10.5
75.00762	1.2
81.03366	1.4
83.01253	3.8
83.04916	1.5
85.02824	12.0
87.00753	19.0
87.01267	1.2
88.98680	4.1
89.02319	8.8
93.03345	2.4
95.01288	2.0
95.04942	1.3
96.95844	0.7
97.02842	2.3
97.06483	1.3
99.00773	5.1
99.04408	1.5
101.02329	16.8
101.03012	0.9
102.94102	0.6
105.03341	0.8
107.04945	1.0
108.02059	2.5
109.02851	2.0
111.00786	1.0
111.04417	1.5
113.02325	12.7
113.03047	0.7
113.05967	0.7
114.02613	0.7
115.00229	1.5
115.03889	0.8
119.03383	3.3
119.04926	1.3
121.02887	1.1
123.04417	4.7
125.02352	2.9
125.05983	5.1
129.01854	1.5
129.10240	0.8
131.03412	1.6
133.02867	4.4
135.04460	2.6
135.47095	0.5
136.07581	0.6
137.02303	0.9
139.03906	0.9
141.05479	4.2
143.03426	2.8
149.02351	0.8
149.04478	1.3
151.03931	1.4
153.05507	2.1
155.08197	0.7
159.02979	1.0
159.04428	0.7
161.02371	0.8
161.04478	4.5
163.03876	1.0
165.12810	0.7
169.04979	3.7
173.04524	2.6
177.01855	20.4
178.02232	1.1
179.05547	2.0
180.06628	1.4
191.05530	5.7
197.47459	0.6
205.12340	2.7
209.15382	3.8
233.06699	1.1
249.11380	2.6
269.04865	0.6
295.09921	0.9
323.09039	0.8
326.11713	1.3
327.12109	0.7
340.09601	1.4
341.10181	0.8
341.14038	1.3
355.12009	0.8
360.56683	0.6
371.20752	4.6
371.24930	0.8
411.20395	2.4
429.17703	3.8
430.18372	1.0
464.54303	0.7
467.23065	1.5
470.16556	0.6
485.18011	3.8
485.23956	20.9
486.24527	3.0
503.19183	5.4
503.25400	10.9
504.19095	0.9
504.25491	1.7
545.18848	2.6
545.26532	4.7
545.33435	4.8
546.28656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.4
55.36889	0.3
57.03314	0.8
58.00466	0.5
59.01253	30.7
60.01587	0.6
61.98694	0.3
63.93656	0.4
65.03832	1.4
67.01762	1.1
69.03326	0.6
71.01257	13.9
72.99184	0.6
73.02822	16.3
77.23338	0.4
79.05406	1.2
83.01260	4.7
83.04936	0.5
85.02839	2.0
87.00744	1.2
89.02321	3.2
91.05412	11.4
92.05759	0.5
93.03336	5.8
94.03654	0.4
95.01269	0.7
99.00742	0.4
101.02325	12.2
105.06971	1.4
106.55084	0.3
107.04914	5.0
108.02058	0.5
109.02838	10.7
110.03177	0.4
111.04403	0.4
113.02325	4.5
119.03398	1.0
119.04931	1.5
121.02846	27.5
122.03197	0.8
123.04404	1.3
125.02317	1.2
131.03430	1.1
133.02928	0.5
135.04417	100.0
136.04764	4.3
137.02357	3.4
141.06921	0.4
143.03380	0.9
147.03288	0.8
147.04422	13.5
148.04781	0.6
149.02399	0.3
149.04816	0.4
149.05997	3.1
153.01926	0.4
155.03455	0.5
155.08609	0.5
157.10144	1.0
159.04446	0.5
161.04463	1.9
161.05942	0.8
163.04025	0.4
173.04474	1.9
175.04097	0.4
175.07576	9.7
176.07928	0.6
177.02005	0.4
181.95189	0.4
185.06082	1.5
186.06841	0.8
187.07581	22.1
188.07910	1.0
189.09138	0.7
191.05531	3.9
192.07796	0.9
193.08652	3.5
201.09148	43.1
202.09491	3.0
205.08638	6.6
213.09160	2.5
217.08627	2.0
219.10216	3.2
231.10156	0.9
253.12352	0.4
264.43753	0.4
269.88364	0.4
323.09445	1.1
323.12869	28.8
324.13190	4.0
341.13901	7.0
342.14227	0.8
353.14093	0.5
357.13678	0.4
397.15155	0.7
409.15125	5.0
410.15335	0.9
423.16708	0.5
545.20074	4.6
545.27203	1.0
546.20239	0.8
549.48480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37679	0.2
59.01251	3.2
62.65398	0.3
65.03837	2.6
67.01762	0.7
70.20478	0.3
70.55231	0.8
71.01263	1.2
73.02843	0.3
79.05404	0.7
80.02538	0.3
85.02823	0.7
89.02334	0.6
91.05408	12.0
92.05765	0.4
93.03328	5.2
95.04890	3.9
98.19733	0.3
101.02338	0.5
107.04897	2.2
108.02040	1.8
108.05222	0.3
108.41623	0.3
109.02840	10.0
119.04915	0.6
119.08559	1.0
121.02843	30.6
122.03599	1.6
125.06036	0.4
129.07002	0.3
131.08582	0.4
133.02844	0.9
134.03641	9.7
135.04414	100.0
136.04733	4.4
141.06943	0.3
144.05664	0.4
145.10127	3.0
147.04422	18.4
148.05225	6.9
149.05914	0.4
157.06461	0.4
159.04414	2.2
160.05226	1.9
161.05914	0.8
163.07558	20.8
164.07886	1.1
166.02617	0.7
171.08015	0.3
172.05197	1.0
173.04459	0.7
173.05997	0.7
174.06767	1.9
175.07570	7.5
176.07932	0.7
177.09079	1.0
183.08089	0.7
185.06001	0.8
186.06735	0.5
187.07558	7.5
188.07997	0.4
189.09138	82.4
190.09464	5.3
191.05505	1.8
193.08627	11.5
194.08905	0.5
200.45514	0.3
201.09151	11.4
201.61476	0.3
202.09441	0.8
203.10767	0.9
205.08635	55.1
206.09001	3.8
213.09189	1.8
219.10211	82.7
220.10536	5.8
231.10194	6.8
232.10536	0.6
279.08875	0.3
311.12921	1.5
323.09564	0.3
323.12869	2.2
339.10785	0.6
341.13928	52.8
342.14258	6.4
365.13751	0.3
485.17899	0.6
503.19107	0.6
527.19214	0.7
545.20142	16.6
546.20520	3.5
558.74982	0.3
562.27551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03313	2.0
58.00468	1.3
59.01250	90.4
60.01583	2.5
61.01678	1.3
61.98708	1.3
64.85934	1.0
65.03835	1.7
67.01759	1.6
68.99705	1.5
69.03332	2.8
71.01260	23.8
71.04893	1.4
71.38062	1.1
71.38389	2.0
72.99198	2.4
73.02821	12.9
81.03342	3.1
83.01257	6.7
83.04893	1.8
85.02824	13.6
86.93267	1.1
87.00766	3.9
89.02316	8.9
91.05407	7.2
91.43104	1.1
93.03334	34.6
94.03678	1.2
95.01264	4.3
95.04925	1.4
96.95856	1.9
96.96883	1.2
99.00788	1.5
101.02322	17.0
107.04916	3.7
108.02039	5.1
109.02852	14.7
109.06521	1.0
110.00012	1.1
110.03168	1.5
111.00793	2.1
111.04417	2.6
113.02335	10.5
114.02639	1.6
119.03420	3.8
119.04913	37.4
121.02852	10.4
122.03503	1.5
123.04430	7.1
124.01592	2.2
125.02324	9.0
133.02864	3.4
134.03694	1.2
135.04413	53.4
136.01544	9.6
136.04770	2.3
137.02342	72.7
137.09674	1.3
138.02730	2.3
140.50372	1.0
143.03438	1.2
145.02843	1.7
145.06476	2.1
147.04468	1.9
148.55104	1.0
149.02351	3.3
149.04416	1.1
150.03145	18.4
151.03917	100.0
152.00980	1.8
152.04282	4.2
159.11739	1.3
161.02353	1.9
161.04494	4.8
161.05965	2.1
163.03915	26.4
171.08051	4.8
171.10236	2.0
172.93272	1.4
173.04463	7.7
175.07507	1.4
175.80681	1.1
177.01845	2.6
177.05412	1.2
177.09111	10.0
179.03415	31.2
180.03711	1.7
185.09702	1.8
186.10448	14.1
189.09148	26.2
191.05537	24.3
191.07132	2.0
199.07539	2.2
199.11217	2.2
201.09050	2.2
201.10912	2.6
201.12784	46.8
202.13165	3.4
203.10759	7.6
209.04428	8.2
215.10764	3.5
219.10263	5.6
239.05588	29.8
240.05951	1.6
245.11807	28.0
246.12175	3.1
253.09135	2.4
291.19650	3.1
299.07590	6.2
305.11874	7.6
309.20609	7.9
321.11313	1.8
322.11615	2.1
323.12320	3.4
327.16165	1.9
341.08945	5.7
341.13907	45.9
342.14264	4.6
353.13885	3.5
354.14496	1.4
355.10324	24.5
356.10654	2.1
367.10330	3.5
371.15057	3.1
477.95303	1.3
485.31332	5.2
499.74268	1.2
503.31918	2.9
545.20135	19.4
545.29700	12.4
546.20361	3.6
546.29382	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03265	1.9
59.01192	19.5
60.99140	0.5
61.56607	0.5
65.03790	1.2
67.01695	2.2
69.29396	6.4
69.71492	0.5
71.01250	7.2
71.04852	1.0
72.99156	1.1
73.02765	2.0
76.90221	0.5
77.69305	0.5
78.95741	0.6
79.05344	0.6
81.03268	0.9
83.01187	2.2
85.02815	5.5
87.00735	4.7
89.02261	2.6
91.05414	4.3
91.22379	0.5
91.63418	0.5
93.03332	14.9
94.03571	0.7
96.95837	0.9
97.02754	0.8
97.06401	0.9
98.49144	0.6
99.00708	1.0
99.04337	0.8
101.02338	5.2
105.03337	3.9
107.04858	0.8
109.02844	8.3
111.04331	2.3
111.07975	0.7
113.02323	3.0
119.03329	1.1
119.04832	1.6
121.02843	5.0
121.06470	4.2
122.03532	1.6
123.04417	12.5
125.02251	0.6
125.09525	1.1
135.04416	39.8
136.04736	1.3
137.02283	2.0
143.03284	0.8
147.04405	3.8
149.02405	3.8
149.05928	1.2
150.03128	2.7
151.00256	0.9
151.03804	1.9
152.95961	0.6
157.06470	3.0
159.04292	1.0
161.02330	0.7
161.04454	1.7
161.05927	1.5
163.03920	3.6
164.04622	2.1
165.05487	69.7
166.05794	3.5
167.03432	3.8
171.10199	3.6
173.03110	0.7
173.04497	11.1
173.05937	1.6
173.09630	1.5
175.03789	0.7
175.07553	3.8
177.05382	1.7
185.05887	0.6
185.11662	0.9
186.06677	1.7
187.03879	0.8
187.07480	2.2
189.05504	0.9
189.09096	1.1
191.05548	27.4
192.05829	1.3
193.08546	2.2
199.03879	0.8
199.07588	1.2
201.05592	3.0
201.08998	1.4
202.06123	1.2
203.10565	0.7
204.07770	0.6
205.08612	0.7
211.13341	9.4
214.06308	0.9
215.07054	7.5
216.07338	0.7
217.08655	47.1
218.08913	2.9
219.10190	5.8
227.03329	0.7
229.08623	3.2
231.06580	0.7
235.09738	28.2
236.10005	1.6
251.16513	2.0
253.09271	7.4
255.06604	1.4
256.07324	3.5
271.09698	1.5
285.04160	1.8
291.19687	13.7
292.19986	0.9
309.20743	6.6
323.12820	5.2
324.13553	0.9
341.13928	100.0
342.14285	12.2
353.14035	1.0
371.14722	1.1
393.10022	0.8
448.10342	0.8
454.66541	0.6
485.18491	2.6
485.31497	1.3
503.19263	1.1
503.32678	0.9
529.94904	0.7
545.20544	25.1
545.29846	4.1
545.34259	3.2
546.20917	4.4
546.29456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
58.00455	0.4
59.01252	24.1
60.00462	0.5
61.50231	0.5
62.77511	0.4
65.03833	2.4
67.01755	0.8
69.03335	0.9
71.01256	9.6
71.04900	0.5
73.02820	11.8
80.43093	0.4
83.01257	2.9
83.04902	0.6
85.02819	3.1
87.00750	1.2
87.52460	0.6
88.98695	1.2
89.02288	2.7
91.05408	13.4
92.43459	0.4
93.03333	4.9
95.01266	0.7
99.00735	0.7
101.02329	7.5
107.04919	0.9
108.02069	1.0
109.02839	15.1
113.02313	3.3
119.03431	1.0
119.04910	0.7
121.02840	13.4
122.03614	0.7
123.04437	2.2
124.01553	1.3
125.02362	1.2
133.02792	0.6
134.03664	1.1
135.04417	100.0
136.01544	0.7
136.04756	4.1
137.02353	4.2
138.03125	0.6
143.03387	1.0
147.04430	5.0
149.02322	2.4
149.04427	1.2
149.06032	1.2
150.03087	2.1
151.03912	14.2
159.04445	1.2
161.02318	0.5
161.04480	1.7
161.05984	3.7
162.03104	1.0
163.03940	3.3
165.09102	0.6
173.04440	3.1
175.07500	1.2
177.09126	2.6
183.21732	0.4
186.06773	0.8
187.07553	2.2
189.09117	4.3
191.05562	5.7
191.07172	0.7
192.07822	3.4
193.08652	7.8
200.04767	0.7
201.09160	12.9
202.09444	1.1
203.10753	4.2
205.08644	2.9
206.08875	0.5
214.06422	0.6
215.07112	1.2
217.08624	1.1
218.09236	0.6
219.10255	8.5
220.10507	0.7
229.08556	1.4
231.10196	3.0
256.07297	0.7
273.07956	0.5
309.20700	1.3
323.12857	10.9
324.13184	1.7
341.13907	14.6
341.17941	1.0
342.14255	1.7
352.81671	0.5
355.10721	0.7
365.13919	0.9
397.16635	0.9
444.77231	0.5
476.13141	1.4
485.17944	0.7
503.19449	1.0
545.20288	17.1
545.33032	2.2
546.20605	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80961	1.0
52.68518	1.1
55.01756	1.4
58.00484	1.1
59.01252	47.9
60.01614	1.2
65.03825	1.2
67.01756	1.9
69.03350	1.3
69.45066	8.9
69.45478	1.7
70.74734	1.1
71.01252	23.3
72.99177	4.0
73.02818	16.2
75.00767	1.3
78.95780	3.2
79.62659	1.0
80.96394	1.6
83.01254	5.3
83.04904	1.6
85.02825	8.1
86.92463	1.1
87.00758	3.2
89.02317	13.2
93.03339	3.8
96.70433	1.0
96.95884	7.5
96.96850	4.5
97.02874	1.4
98.02355	3.2
99.00751	1.6
101.02326	19.9
108.02052	3.3
109.02848	3.3
109.06482	4.5
111.00741	1.2
111.04393	1.4
113.02325	9.9
119.03411	5.2
121.02830	9.9
122.03651	2.3
123.04391	1.9
125.02323	1.6
131.03401	1.7
131.08578	1.6
133.02864	5.0
135.04425	3.8
141.42810	1.1
143.03394	2.6
145.02744	1.2
149.04471	3.3
152.01096	1.8
153.01855	2.2
159.08055	11.0
161.04456	4.9
165.01787	2.6
173.04492	4.2
175.07565	3.6
177.01869	13.4
177.09125	31.7
177.10661	1.7
178.09477	2.7
179.03450	2.1
179.05550	1.8
191.05527	13.3
197.04433	1.3
203.07082	17.8
221.08153	53.3
222.08533	3.6
233.15315	2.2
245.15416	2.2
253.04881	1.6
279.02966	1.4
297.04083	1.8
309.04019	2.5
339.08920	1.4
353.03006	1.8
383.13324	2.4
389.98190	1.4
395.20831	2.6
413.21555	1.7
455.22949	2.6
509.29721	1.6
545.18732	100.0
546.19171	16.3
546.26624	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06348	0.5
57.55871	0.5
59.01257	12.7
60.79190	0.5
65.03833	1.5
67.01778	0.9
71.01254	10.0
71.01622	1.0
72.99187	1.4
73.02824	1.9
83.01262	0.7
85.02831	3.5
87.00778	1.0
88.08334	0.5
88.98697	0.7
89.02319	7.4
90.00073	0.6
93.03315	1.2
94.04115	0.7
96.95905	1.5
97.02837	0.9
99.00781	1.5
101.02327	6.2
108.02071	4.3
109.02843	5.8
109.06480	16.0
113.02340	3.3
115.00309	0.7
116.03413	0.7
119.03407	2.1
121.02850	27.4
122.03635	46.5
123.03986	1.7
123.14002	0.5
125.02322	0.8
131.03387	1.5
131.04343	0.7
133.02855	1.7
133.10150	5.3
134.03644	1.6
135.04402	1.4
143.03363	0.9
149.04445	1.8
153.01808	0.7
161.04456	2.3
165.01758	0.6
173.04469	1.0
175.07600	0.9
177.01909	1.3
177.09135	97.6
178.09497	7.1
191.05571	3.4
203.07106	1.4
203.10719	1.0
221.08154	90.0
222.08450	6.6
245.15401	1.5
322.89178	0.5
365.12418	2.0
383.13498	2.1
501.18152	0.7
545.18750	100.0
546.19128	16.0
546.27478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82602	1.7
57.03328	2.8
59.01253	100.0
69.27026	22.4
71.01256	77.5
71.01659	3.1
72.99170	5.6
73.02835	10.7
78.95788	2.2
80.03152	1.8
83.01254	5.3
83.04938	3.7
85.02829	17.0
87.00757	8.0
89.02319	56.0
92.46736	2.3
93.03324	8.2
95.01253	3.1
96.78590	2.1
96.95870	4.3
99.00719	2.7
99.04412	6.0
101.02319	35.1
102.99216	1.7
107.20427	2.3
108.02040	2.2
109.02843	6.4
111.00756	2.6
111.04388	4.7
113.02339	20.6
115.00258	49.6
119.03399	22.5
119.04863	4.4
131.03398	4.8
133.01334	58.5
135.04419	8.2
137.02310	2.4
143.03380	5.9
143.04477	4.0
149.04532	2.5
152.01091	2.0
161.04477	5.3
161.13274	16.8
163.03891	4.1
173.04466	10.0
177.01843	2.6
179.05588	16.8
187.11311	2.5
191.05528	34.0
192.05843	2.2
203.06984	3.1
205.12285	45.0
206.12651	3.4
249.11307	68.2
250.11595	7.8
254.07813	2.7
267.06750	2.9
272.08786	2.0
306.07684	6.6
322.08575	2.1
341.10162	6.5
353.06390	4.6
353.10263	5.5
385.18677	5.3
429.17584	66.4
430.18076	6.7
545.17810	5.9
545.25983	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
57.03326	2.7
58.00481	1.2
59.01252	100.0
60.01586	1.0
60.37731	0.4
67.01775	0.6
69.03328	1.0
71.01255	26.5
71.58644	0.4
71.59041	0.6
72.01568	0.5
72.99193	2.9
73.02820	9.3
75.00749	0.7
78.11766	0.5
78.63198	0.4
78.95789	0.6
81.03333	1.6
83.01264	4.8
83.04909	1.0
85.02827	13.6
87.00754	17.7
87.01270	0.9
88.98689	0.6
89.02322	16.0
93.03339	3.7
95.01257	2.1
95.04909	1.1
96.95908	0.6
97.02836	1.5
97.06493	1.3
99.00751	5.2
99.04420	1.6
101.02328	16.7
102.02677	0.5
102.99318	0.4
105.03361	1.1
107.04917	0.9
108.02076	2.1
109.02872	1.3
111.00765	4.2
111.04415	2.7
112.01118	0.4
112.10439	0.4
113.02330	16.0
115.00253	5.6
115.03915	0.6
119.03398	7.1
119.04932	0.8
121.02853	0.9
123.04408	4.9
125.02335	2.3
125.05972	4.8
127.03886	0.9
129.01837	1.6
129.10303	0.4
131.03407	2.0
133.01329	4.9
133.02808	2.0
135.04410	1.8
137.02338	0.9
137.09715	0.5
138.03117	0.5
139.03920	1.0
141.05479	2.9
143.03439	2.9
147.04477	0.7
149.04512	1.0
151.03928	1.3
152.01077	0.5
153.05489	1.2
155.03488	0.9
155.07086	0.8
155.08208	0.8
159.02901	0.7
161.04474	5.0
161.13283	3.1
163.04002	0.4
165.12807	0.6
169.04976	3.2
173.04474	4.8
177.01862	18.4
178.02319	0.9
179.03391	0.6
179.03961	0.5
179.05563	4.2
180.06659	0.7
182.47900	0.4
183.13771	0.4
187.11182	1.1
191.05530	6.4
193.08617	0.7
205.12279	11.4
209.15408	4.4
233.06693	1.2
249.11316	15.3
250.11783	1.4
269.26465	0.5
293.14914	0.9
323.09296	0.8
341.10379	1.5
341.13974	0.7
371.16116	0.5
371.20761	3.8
372.21289	0.8
385.18625	1.1
407.67969	0.5
411.20261	3.2
425.22156	0.5
429.17691	16.0
430.18036	1.9
449.22110	0.6
467.23053	1.9
485.18121	0.7
485.23947	18.1
486.24338	2.4
503.18268	1.0
503.25070	11.9
504.25412	1.6
545.18744	1.5
545.26324	6.4
545.33588	3.1
546.27045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
57.03326	2.7
58.00481	1.2
59.01252	100.0
60.01586	1.0
60.37731	0.4
67.01775	0.6
69.03328	1.0
71.01255	26.5
71.58644	0.4
71.59041	0.6
72.01568	0.5
72.99193	2.9
73.02820	9.3
75.00749	0.7
78.11766	0.5
78.63198	0.4
78.95789	0.6
81.03333	1.6
83.01264	4.8
83.04909	1.0
85.02827	13.6
87.00754	17.7
87.01270	0.9
88.98689	0.6
89.02322	16.0
93.03339	3.7
95.01257	2.1
95.04909	1.1
96.95908	0.6
97.02836	1.5
97.06493	1.3
99.00751	5.2
99.04420	1.6
101.02328	16.7
102.02677	0.5
102.99318	0.4
105.03361	1.1
107.04917	0.9
108.02076	2.1
109.02872	1.3
111.00765	4.2
111.04415	2.7
112.01118	0.4
112.10439	0.4
113.02330	16.0
115.00253	5.6
115.03915	0.6
119.03398	7.1
119.04932	0.8
121.02853	0.9
123.04408	4.9
125.02335	2.3
125.05972	4.8
127.03886	0.9
129.01837	1.6
129.10303	0.4
131.03407	2.0
133.01329	4.9
133.02808	2.0
135.04410	1.8
137.02338	0.9
137.09715	0.5
138.03117	0.5
139.03920	1.0
141.05479	2.9
143.03439	2.9
147.04477	0.7
149.04512	1.0
151.03928	1.3
152.01077	0.5
153.05489	1.2
155.03488	0.9
155.07086	0.8
155.08208	0.8
159.02901	0.7
161.04474	5.0
161.13283	3.1
163.04002	0.4
165.12807	0.6
169.04976	3.2
173.04474	4.8
177.01862	18.4
178.02319	0.9
179.03391	0.6
179.03961	0.5
179.05563	4.2
180.06659	0.7
182.47900	0.4
183.13771	0.4
187.11182	1.1
191.05530	6.4
193.08617	0.7
205.12279	11.4
209.15408	4.4
233.06693	1.2
249.11316	15.3
250.11783	1.4
269.26465	0.5
293.14914	0.9
323.09296	0.8
341.10379	1.5
341.13974	0.7
371.16116	0.5
371.20761	3.8
372.21289	0.8
385.18625	1.1
407.67969	0.5
411.20261	3.2
425.22156	0.5
429.17691	16.0
430.18036	1.9
449.22110	0.6
467.23053	1.9
485.18121	0.7
485.23947	18.1
486.24338	2.4
503.18268	1.0
503.25070	11.9
504.25412	1.6
545.18744	1.5
545.26324	6.4
545.33588	3.1
546.27045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30925	0.5
54.91576	0.4
57.03339	1.1
59.01252	18.6
66.34825	0.4
67.01771	0.6
69.03336	0.5
69.71905	3.1
71.01251	7.8
72.99183	0.9
73.02821	3.5
75.00735	0.6
78.95776	0.6
79.95608	4.0
83.01254	1.3
85.02818	4.0
87.00755	1.1
88.98634	0.7
89.02321	3.1
91.78584	0.4
92.73920	0.5
93.03332	2.5
95.01305	0.7
96.95889	100.0
97.95841	0.6
99.00765	0.8
99.04375	0.6
101.02320	5.1
107.04944	0.7
108.02029	0.7
109.02824	1.6
111.00748	0.8
111.04421	0.9
112.03941	0.7
113.02350	3.1
115.00249	0.8
119.03379	1.4
119.04928	1.0
121.02855	0.6
123.08078	0.6
125.02325	0.8
129.80699	0.4
135.04442	1.2
137.02303	0.7
143.04662	0.8
147.04453	0.8
149.02330	0.7
152.01077	0.6
154.51222	0.5
161.02318	0.6
161.04526	1.1
163.03865	0.7
173.04503	1.8
173.05844	0.5
174.01430	0.5
177.01796	0.5
177.08980	0.5
179.03366	0.7
179.05632	0.5
191.05562	5.6
192.05814	0.5
203.10664	2.3
205.12418	0.6
207.30562	0.5
227.03459	2.2
249.11307	1.4
255.03044	3.5
256.03867	0.6
264.92191	0.5
266.05865	0.6
267.06656	0.7
284.03354	4.0
285.04041	1.9
306.07486	0.9
323.09076	0.6
323.18686	1.1
341.10101	0.6
350.43695	0.5
407.30823	0.4
429.17648	1.6
447.09344	6.2
545.11298	0.7
545.26697	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
57.03326	2.2
58.00456	0.9
59.01251	100.0
60.01589	1.1
60.99146	0.4
61.98700	0.4
67.01740	0.4
69.03331	1.2
69.41098	0.3
71.01254	25.6
72.01597	0.4
72.99178	1.2
73.02818	10.0
81.03317	0.5
83.01260	4.0
83.01704	0.4
83.04910	0.7
85.02824	8.0
87.00756	2.8
87.04401	1.9
88.98691	1.1
89.02317	10.7
93.03352	1.5
95.01270	2.1
96.95914	0.3
97.02834	1.0
97.06484	0.4
98.20564	1.0
99.00754	2.0
101.02320	14.9
107.04930	0.5
108.02077	0.6
109.02852	2.8
111.00779	1.0
112.01577	0.4
113.02335	16.2
114.02683	0.4
119.03383	3.9
119.04939	1.2
121.02856	1.1
123.04449	0.4
125.02364	1.2
130.08653	1.1
130.93494	0.3
131.03439	1.1
133.02899	0.8
135.04431	2.9
137.02368	0.8
139.07596	0.3
142.57523	0.3
143.03378	2.2
147.04424	0.7
149.04469	0.7
149.05983	0.8
151.03987	0.5
159.02913	0.7
159.04529	0.4
159.10202	0.6
161.02402	0.7
161.04465	7.8
165.05522	0.4
173.04491	1.3
179.05534	2.1
187.07594	0.4
189.09109	0.3
191.05556	1.9
199.07652	0.6
209.11794	0.7
211.03891	0.3
217.06693	0.8
217.08629	0.6
218.07045	0.4
219.07211	0.4
225.05592	0.7
227.07114	0.6
227.16527	0.6
230.02112	0.5
235.09808	0.7
271.03641	0.4
271.06012	1.9
289.18146	0.7
307.19250	1.3
321.11462	1.2
339.08813	1.1
339.12347	1.3
339.25577	1.1
340.12115	0.7
353.19614	0.5
371.20737	7.0
372.21338	0.6
379.77338	0.4
389.21826	2.0
395.24451	1.8
413.25488	2.5
431.27148	0.4
483.16711	0.5
483.29672	10.0
484.30081	1.7
501.30704	7.6
502.31323	1.3
541.11267	0.3
543.16528	1.0
543.30988	1.6
544.17877	0.5
544.27728	0.5
557.52679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
65.64168	0.6
70.45058	2.6
71.01259	1.5
78.95782	3.7
80.96465	0.6
89.02322	1.9
96.95879	4.3
110.98444	1.6
131.03467	0.7
142.13652	0.7
149.04456	1.0
152.99545	0.9
167.01135	1.5
174.39462	0.7
191.91298	0.7
194.90030	1.5
223.08241	3.5
230.46008	0.8
277.21729	83.2
278.22107	7.3
330.93906	0.8
441.14902	0.8
445.23663	1.3
543.19916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37360	1.0
59.01252	100.0
83.22998	0.8
96.95901	4.7
98.19715	1.4
115.94772	0.8
188.60773	0.9
221.32767	0.8
229.65715	1.0
246.91698	0.9
253.09158	1.4
307.26419	6.7
337.92853	0.9
385.86243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.6
59.01249	21.5
60.99172	1.0
67.01744	1.2
69.03338	0.9
71.01250	13.2
71.58588	1.0
72.99171	0.9
73.02811	2.6
77.22742	0.7
81.03339	1.3
83.01263	2.6
83.04916	2.0
85.02824	3.1
87.00741	2.2
88.98671	2.1
89.02319	11.9
93.03325	1.1
95.01244	1.7
95.04929	1.1
96.95877	0.9
97.02816	3.4
97.06458	5.8
99.00765	1.0
101.02324	12.1
106.04175	1.3
109.02829	1.8
109.06504	1.6
111.04389	0.8
113.02354	6.1
113.05902	0.9
119.03420	3.1
119.04929	6.6
121.02850	1.1
121.06500	1.1
123.04394	4.2
123.08018	1.5
125.06007	1.2
125.09593	5.4
135.04378	3.2
137.09619	3.9
143.03413	1.2
149.05981	1.2
157.24716	0.8
161.04492	5.8
163.11186	7.6
165.12793	2.3
171.10135	1.2
177.12662	1.0
179.05579	1.3
179.10663	0.8
181.12299	1.8
185.11792	7.9
191.05534	1.2
191.10698	1.5
191.14340	8.5
207.10210	4.5
209.11752	19.2
210.12068	2.0
211.13345	2.5
225.11307	3.2
227.12779	1.2
235.08075	1.0
237.11244	11.3
245.16693	1.6
245.19090	18.4
246.19362	1.2
253.09270	43.5
254.09607	3.0
261.18845	1.2
263.20129	6.1
271.16983	2.7
281.21332	1.9
289.18097	90.4
290.18484	7.5
307.19147	100.0
308.19443	11.9
339.16095	2.8
543.28870	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25454	0.7
55.01760	1.1
57.03312	2.1
58.00466	1.2
58.83176	0.7
59.01251	80.1
60.01576	0.9
60.08474	0.7
60.99172	0.8
61.98696	1.2
67.01762	0.8
69.03329	1.4
70.34029	2.6
71.01253	24.5
71.04898	1.9
72.99179	1.7
73.02818	8.4
81.03325	2.2
83.01265	4.0
83.04871	0.9
85.02831	6.8
87.00740	3.3
87.04375	1.1
88.98679	2.5
89.02319	10.7
93.03345	3.3
95.01271	2.4
95.04922	1.4
97.02837	0.9
99.00755	2.6
99.04391	1.4
101.02323	15.8
105.03349	4.3
106.04170	0.8
109.02843	2.4
109.06467	8.2
111.04385	3.4
111.08054	1.4
113.02322	12.1
114.83779	0.7
119.03398	3.4
119.04915	24.5
121.02830	2.6
122.03622	1.1
123.04491	1.0
123.08033	1.3
125.02327	1.5
125.09516	0.7
127.07548	1.0
135.04398	7.9
136.01549	1.4
143.03424	1.7
145.02846	1.2
145.06459	1.4
149.02328	3.3
149.09653	1.3
157.06471	1.9
161.04451	5.6
162.03093	1.3
167.03419	5.2
173.04440	2.4
177.01883	1.3
179.05501	1.7
179.10716	1.7
191.05544	3.7
191.14319	1.0
194.02148	4.8
195.13815	3.0
197.11824	1.3
201.05544	1.2
209.11737	1.7
215.07002	1.9
217.08676	2.0
219.06578	2.5
235.13356	1.2
236.49910	0.7
237.07658	1.3
245.19035	4.5
253.09251	18.1
267.06583	2.6
268.07379	2.6
269.08096	3.0
271.17014	0.7
287.16449	1.2
289.18088	100.0
290.18393	9.9
307.19189	7.8
308.19308	0.8
311.09430	0.7
321.11258	2.5
339.12402	8.7
339.25153	1.6
340.12759	1.0
369.22842	1.3
381.13388	2.8
395.24451	2.1
483.29782	8.4
484.30106	1.2
501.30759	7.5
502.31058	1.1
543.18732	23.4
543.31586	7.3
544.19403	5.5
544.32007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04566	0.7
55.01767	1.1
56.27729	0.7
57.03327	2.8
58.00478	0.9
59.01253	28.3
60.01590	0.7
60.36707	0.7
61.98725	0.6
69.03323	1.2
70.10619	1.2
70.11025	2.7
71.01255	17.4
71.04912	0.9
72.99181	1.0
73.02810	3.6
81.03344	2.1
83.01278	3.5
83.04930	1.9
85.02824	6.0
87.00771	2.5
88.98711	2.0
89.02321	15.2
89.02833	1.2
93.03383	0.8
95.01269	1.2
95.04929	2.5
96.95909	1.1
97.02852	2.2
97.06461	4.8
99.00764	1.0
101.02328	17.7
102.02682	0.7
107.04932	0.8
109.02847	1.1
109.06517	1.8
111.04435	1.4
113.02327	7.9
113.02953	0.7
119.03398	3.9
119.08562	1.8
121.02852	0.8
121.06512	1.5
123.04429	3.5
123.08067	1.8
125.02422	0.7
125.05984	0.8
125.09622	6.2
135.04431	1.0
135.08075	1.1
137.02434	0.6
137.06044	0.7
137.09612	3.9
141.09163	0.6
143.03424	1.3
143.82269	0.6
147.08032	0.6
149.06046	1.3
151.11217	1.1
155.32599	0.6
161.04480	6.9
163.07509	0.8
163.11201	6.5
165.09062	0.7
165.12788	1.6
171.10190	1.3
173.04605	0.7
175.11246	0.7
177.12804	1.1
179.05525	2.6
181.12216	1.6
185.11769	6.9
189.12842	0.8
191.05591	1.5
191.10881	0.8
191.14337	9.6
193.08365	0.7
200.74385	0.7
201.05476	0.7
207.10188	4.0
209.11789	18.1
210.12138	1.0
211.13321	2.6
217.15889	1.5
225.11327	3.8
237.11296	13.7
238.11670	1.1
243.17586	1.0
245.19087	18.0
246.19350	1.4
247.17079	0.7
253.09261	49.0
254.09662	2.3
263.20200	6.2
271.17075	3.0
281.21188	1.6
283.02094	0.7
289.18094	87.4
290.18466	8.0
307.19144	100.0
308.19485	10.5
329.62689	0.7
339.12137	0.8
500.44119	0.7
511.68906	0.7
543.29211	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.9
57.03331	2.5
57.97688	0.4
59.01251	23.9
67.01775	0.7
68.35240	0.4
69.03337	1.3
71.01258	14.7
71.58022	1.0
72.99180	1.2
73.02810	2.6
80.02523	1.1
81.03333	2.3
83.01258	3.1
83.04904	2.4
85.02827	4.4
87.00752	2.4
88.98691	1.4
89.01762	0.6
89.02316	11.9
93.03328	0.9
95.01284	1.2
95.04913	2.3
97.02841	2.6
97.06466	6.0
99.00744	1.0
101.02328	11.7
104.17760	0.4
106.04112	0.9
107.04936	0.5
108.02042	0.8
109.02830	0.9
109.06461	1.5
110.03631	1.0
111.00770	0.9
111.04424	1.1
113.02334	5.8
113.05923	0.5
119.03397	3.5
119.04905	0.8
119.08553	0.8
121.02816	0.5
121.06472	1.6
121.72065	0.4
122.03714	0.5
123.04424	3.8
123.08046	1.4
125.02350	0.8
125.05957	1.4
125.09612	6.0
129.41003	0.5
131.03384	0.6
134.03641	2.0
134.91779	0.5
135.04446	1.0
135.08086	0.9
136.05132	0.7
137.05998	0.6
137.09615	4.4
141.12759	1.8
143.03409	1.4
148.05141	1.1
149.05983	5.5
149.09674	1.2
150.10403	0.8
151.11188	0.6
161.04472	5.2
161.09663	1.0
162.10371	0.9
163.07545	0.9
163.11198	8.7
164.08351	0.6
164.11485	0.5
165.09048	0.9
165.12778	2.0
167.10707	0.8
171.10191	0.8
173.04448	0.7
175.11156	1.1
177.09138	3.3
177.12737	1.2
179.05544	1.9
179.10698	0.8
181.12288	1.5
185.11763	7.0
189.09132	2.0
189.12849	0.8
191.05508	0.9
191.10704	1.0
191.14359	10.3
192.14703	1.0
193.12427	0.8
197.11932	0.6
203.10707	12.0
204.11099	0.9
207.10211	3.8
209.11781	19.1
210.12181	1.2
211.13371	2.6
217.15927	1.3
225.11319	3.2
226.11887	0.7
229.15987	0.7
235.08202	1.4
237.11295	13.7
238.11664	0.7
243.17528	0.8
245.19077	20.4
246.19415	1.7
253.09268	41.6
254.09578	2.2
263.20163	6.1
271.17050	2.4
281.21161	1.3
289.18097	94.1
290.18469	10.7
291.19531	0.5
307.19150	100.0
308.19519	10.6
325.20517	0.7
339.16010	9.9
340.16223	1.1
381.93289	0.6
543.17371	0.6
543.28375	4.0
544.28674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30256	1.1
55.01754	1.4
57.03339	6.4
59.01248	25.6
66.27878	1.2
69.03341	2.6
71.01252	22.8
71.60037	1.2
72.99178	1.1
73.02803	3.9
80.02563	1.7
82.90915	1.2
83.01242	2.3
83.04896	3.0
84.30281	1.3
85.02832	5.1
87.00748	3.5
89.02313	12.5
93.03355	3.1
95.01257	1.7
95.04867	2.4
95.32801	1.3
96.95872	1.4
97.06466	12.2
101.02328	13.0
109.02839	2.0
109.06480	2.8
111.08018	4.6
113.02315	8.3
113.76263	1.3
119.03374	4.6
121.02843	1.3
123.04423	2.2
123.08080	2.2
125.09605	1.9
135.04382	1.8
143.03346	2.2
147.11646	1.8
151.11191	13.5
153.08989	1.8
153.12714	1.4
155.10667	5.0
161.04527	5.9
163.11163	4.3
165.12772	21.2
167.10649	4.0
169.12244	4.0
171.10229	1.2
173.04422	1.4
179.05469	3.2
179.10732	5.9
181.12236	13.0
181.18805	1.2
183.13823	3.0
191.05586	3.1
191.10718	11.5
191.14265	3.9
195.10303	1.4
197.11739	2.0
201.83244	1.2
205.12367	1.6
209.11783	45.8
209.13779	2.3
210.12102	4.2
211.13281	5.6
213.69472	1.3
224.10457	2.0
225.11090	1.6
227.12849	19.0
235.08067	1.7
239.09189	2.5
245.19073	18.0
253.06691	2.3
253.09271	40.3
254.09709	1.7
261.18695	2.0
263.20151	22.2
264.20453	1.8
271.17191	1.8
279.19598	2.8
289.18073	35.7
290.18362	2.4
301.16788	1.6
307.19125	100.0
308.19531	11.9
332.23032	1.3
338.86044	1.2
339.49979	1.3
445.20651	13.3
460.19174	3.5
534.23254	1.5
543.27679	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34390	0.1
62.19336	0.1
65.03835	1.9
67.01759	0.4
75.61082	0.1
78.73268	0.1
80.52284	0.1
91.05409	12.7
92.05751	0.5
93.03342	2.3
107.04945	0.1
107.50624	0.1
109.02837	12.9
110.03170	0.3
112.61291	0.1
116.59549	0.1
121.02846	12.5
122.03151	0.3
124.60385	0.1
135.04416	100.0
136.04747	4.3
147.04422	5.3
148.04765	0.3
159.04427	3.1
160.04770	0.2
179.34129	0.1
187.07527	0.2
191.10718	1.3
194.05701	0.2
201.09195	0.1
202.09990	1.1
217.12283	14.9
218.12637	1.0
234.09027	0.1
339.15994	32.4
340.16327	4.5
404.10599	0.1
543.22192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.8
65.03835	1.7
67.01762	0.3
67.14367	0.3
67.39938	0.2
70.20238	0.6
70.20648	0.6
71.01259	0.9
72.99173	0.2
74.51778	0.2
89.02306	0.7
91.05411	11.8
92.05749	0.6
93.03341	2.4
98.20567	0.2
101.02296	0.4
105.06974	0.3
107.04926	0.3
109.02840	15.3
110.03162	0.4
119.04871	0.3
121.02846	12.9
122.03152	0.3
123.04398	0.6
133.02852	2.5
135.04414	100.0
136.04764	4.5
147.04427	6.4
147.05583	0.4
148.01463	0.2
148.04819	0.3
149.06021	1.2
151.03931	0.4
159.04425	9.7
159.05740	0.5
160.04829	0.5
161.05978	0.9
161.94008	0.3
163.03883	0.6
164.33128	0.2
171.04463	0.2
173.05992	1.0
174.03194	0.5
175.03960	0.4
177.05475	1.1
183.13846	0.8
189.05519	1.2
191.10667	1.3
201.05507	0.8
202.09903	1.1
209.11786	0.5
217.12292	17.3
218.12630	1.3
219.06554	0.3
238.03789	0.2
243.06747	0.3
253.07132	1.4
271.22452	0.3
279.08728	6.9
280.08972	0.4
307.22809	0.3
339.15988	40.7
340.16351	5.3
363.16019	1.2
400.67062	0.3
483.20258	6.6
484.20471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77808	0.7
57.11378	0.6
57.22857	0.6
57.45417	0.7
59.01222	1.0
65.03838	4.2
67.01778	1.0
80.02534	1.0
81.84768	0.6
91.05409	2.0
93.03349	7.3
95.01246	1.1
97.02868	0.6
107.04912	1.5
108.02058	13.3
109.02841	24.8
109.06467	3.4
110.03149	1.0
119.04885	1.3
121.02840	5.7
122.03658	6.9
129.07007	0.9
131.04869	1.0
131.08557	0.8
133.02885	0.9
133.10118	1.3
135.04413	10.5
137.02344	38.2
138.02707	1.5
147.04370	1.5
149.02356	3.5
149.75888	0.7
155.08589	0.6
157.06500	1.4
159.04453	1.6
161.02324	2.8
163.00238	1.1
163.03909	5.1
164.04636	1.2
173.05907	1.0
175.03934	3.1
175.07581	5.2
177.09131	35.7
178.09444	1.5
183.08153	1.2
187.03885	2.4
189.01842	5.8
189.09161	0.7
201.05502	7.7
203.03450	7.8
203.07011	4.6
211.03954	6.4
215.07016	1.2
219.10165	3.7
221.08266	3.7
225.05656	1.3
227.07086	35.4
228.07390	1.6
229.04930	1.1
229.08679	1.6
239.03462	4.6
239.07085	1.1
243.06528	1.6
245.11871	1.1
253.02475	1.4
253.05048	21.4
254.05504	1.4
255.06604	100.0
256.06918	8.4
277.21729	3.1
280.16312	0.7
295.13376	1.1
333.07382	1.3
335.09213	2.4
339.12381	4.3
347.09192	8.8
348.09552	1.1
356.50555	0.6
363.12418	2.8
365.10287	52.2
366.10641	6.2
367.11536	0.7
387.16342	0.9
389.13123	0.8
394.64240	0.9
415.15527	3.5
416.15686	1.1
433.16495	2.8
525.19196	11.5
526.19501	2.7
543.20203	10.4
544.20660	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56182	0.3
55.01755	0.9
57.03322	0.9
58.00473	0.5
59.01251	54.9
60.01587	0.4
60.37417	0.3
61.98706	0.6
65.03848	1.6
67.01756	1.3
69.03333	0.9
69.95795	1.6
71.01254	22.6
72.99188	1.5
73.02820	20.2
74.03194	0.3
75.00748	0.6
79.05411	0.9
80.21760	0.3
81.03342	0.5
83.01262	6.6
85.02814	4.8
86.49789	0.3
87.00754	1.5
87.04388	0.4
88.98660	0.4
89.02314	7.0
89.03818	0.5
91.05401	0.5
93.03319	1.8
95.01272	1.4
95.04883	0.8
96.95911	0.4
97.02830	1.1
97.06440	0.4
98.19921	0.5
98.80910	0.4
99.00786	1.4
99.04406	0.5
101.02319	19.7
102.02715	0.4
107.04917	2.6
108.02057	1.2
108.05208	0.3
109.02834	19.4
113.01532	0.7
113.02333	9.3
116.77623	0.3
119.03399	2.5
121.02843	37.8
122.03199	1.4
123.04398	2.0
125.02356	0.9
129.07002	2.3
130.04097	0.5
131.03391	1.4
133.02852	29.0
134.03247	0.9
135.04401	3.5
141.07024	0.4
143.03430	1.3
143.08574	0.6
145.02826	0.8
147.04445	1.0
149.04501	0.9
152.01094	0.5
153.01857	0.4
155.03450	0.5
155.08578	0.4
159.04427	1.1
159.10182	1.6
161.04469	3.1
162.91971	0.4
163.03954	0.4
170.07425	0.5
173.04477	0.9
173.05988	0.8
175.07578	5.8
176.07930	0.3
179.03452	0.4
179.05571	0.6
180.57266	0.3
185.06032	0.4
187.07567	10.0
188.07948	0.7
189.09152	0.8
191.05472	1.9
197.05992	0.3
198.06601	0.4
199.07576	37.5
200.07922	2.0
203.07237	0.8
211.07678	0.4
211.42320	0.4
213.05553	0.6
217.08658	1.2
251.10893	0.4
261.09189	0.5
266.05835	0.8
277.12375	0.7
303.10440	0.5
306.09265	0.4
321.11310	100.0
322.11667	10.2
339.12256	2.3
366.32220	0.3
383.20743	0.3
405.48923	0.3
415.23303	0.8
483.16812	1.6
483.29581	4.1
484.16861	0.4
501.17703	3.6
501.30338	2.4
502.18170	0.6
543.18829	12.3
543.28076	2.0
544.18829	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33196	0.5
57.03331	0.5
59.01253	9.6
59.50635	0.4
61.30026	0.5
65.03831	1.7
65.80097	0.5
67.01768	1.3
68.36231	0.6
71.01252	2.2
71.35316	1.1
73.02820	1.1
82.26360	0.4
85.02285	0.6
85.02803	1.1
87.00754	0.7
89.02338	1.4
91.05409	1.5
93.03365	2.8
95.04900	1.8
101.02329	1.8
102.38725	0.4
107.04912	0.7
108.02065	1.9
109.02837	18.2
110.03197	0.6
113.02343	0.8
119.04942	1.1
119.08595	0.6
120.34747	0.5
121.02847	81.8
122.03207	2.2
123.04412	2.3
125.02316	0.6
127.85595	0.5
129.06981	1.9
130.04170	0.6
133.02853	29.1
134.03290	0.9
135.04407	6.7
137.05965	0.6
145.02812	0.8
146.03642	6.2
147.04431	4.3
159.04417	1.1
160.05237	0.8
163.07547	4.3
166.02716	0.6
172.05173	1.1
173.04562	0.5
173.05977	0.9
175.07565	13.9
178.02608	1.7
185.06044	1.0
187.07581	37.9
188.07875	3.0
189.09129	1.5
191.05510	1.4
191.07069	0.7
197.05962	0.5
199.07579	28.0
200.07986	1.2
205.08646	13.1
206.09073	0.7
209.06049	1.8
213.05544	0.6
217.08649	14.5
218.08978	0.7
225.05540	0.8
243.95183	0.5
253.05043	7.1
254.05678	2.0
265.05087	0.7
267.06635	1.0
269.08173	1.6
279.06641	0.9
291.10385	0.7
309.11313	20.3
310.11606	1.0
321.11319	30.7
322.11572	2.4
339.12360	100.0
340.08600	0.5
340.12714	10.7
351.12259	0.6
363.12552	0.9
388.49957	0.5
438.54709	0.7
483.16568	2.3
543.18896	3.5
544.19531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68131	0.3
55.01753	0.5
57.03320	1.3
58.00464	0.7
59.01250	45.5
60.01575	0.4
64.61012	0.3
65.02557	0.4
65.03819	0.3
69.03322	1.2
69.61520	0.8
69.61929	1.8
71.01255	28.6
72.01587	0.5
72.99193	1.5
73.02819	33.2
75.00756	0.4
81.03339	0.6
83.01254	9.5
85.02815	2.5
87.00758	1.2
88.98683	0.4
89.02326	3.7
91.05409	1.1
93.03343	2.2
95.01267	0.4
97.02818	0.7
97.06460	0.6
99.00770	0.7
99.04398	0.8
101.02324	24.8
102.02673	0.6
105.03368	0.5
107.04909	0.3
109.02844	1.4
111.00791	0.3
113.02333	4.8
119.04915	100.0
120.05251	4.3
121.02842	1.0
121.06446	0.6
123.91067	0.3
125.02347	1.5
125.09598	0.4
127.03870	0.4
129.06984	0.3
131.03409	1.2
135.04420	9.9
135.08064	0.8
136.04680	0.3
137.02325	0.5
143.03403	1.2
145.02872	0.9
149.04443	0.7
155.03416	0.8
157.06496	3.4
159.04352	0.4
161.02371	0.4
161.04451	3.4
167.03415	0.5
171.10173	1.4
173.04506	1.2
175.07603	0.6
185.11736	1.2
191.05528	1.0
199.07558	0.5
201.05540	4.0
209.11774	0.7
211.47559	0.3
217.08687	1.6
219.06526	2.0
235.13336	0.6
237.07530	0.5
253.09261	1.1
265.25955	0.4
289.18091	0.7
307.19095	1.2
321.11310	63.3
322.11603	7.3
323.12689	0.4
339.12363	5.8
483.16895	0.5
483.29779	0.6
501.30771	0.7
543.18762	21.9
543.31860	1.9
544.19238	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
56.72157	0.4
57.03323	0.9
58.00465	1.6
59.01251	100.0
60.01586	1.3
67.79211	0.4
69.03326	1.7
69.69608	2.4
71.01253	41.3
72.01601	0.8
72.99186	1.7
73.02819	61.0
74.03123	0.9
74.94857	0.5
75.00742	1.2
78.22939	0.3
78.95776	19.0
81.03371	0.5
83.01257	17.3
85.02824	5.7
87.00740	1.8
89.02322	7.2
93.03368	1.0
95.01261	1.4
96.95911	0.5
96.96843	2.9
97.02840	1.2
99.00774	1.2
99.04408	0.5
101.02322	51.7
102.02670	1.4
108.02077	0.7
109.02837	0.9
111.00758	1.9
111.08054	1.5
112.18882	0.4
113.02329	13.7
114.02684	0.5
119.03387	4.7
119.04929	1.1
119.20316	0.4
122.06026	0.5
125.02312	2.0
131.03409	4.6
135.04436	1.0
137.02385	0.9
143.03387	4.4
145.60814	0.4
149.04457	3.8
150.08296	0.4
152.01096	0.6
152.99487	7.9
153.01839	0.7
155.03442	2.0
161.04453	12.1
165.12764	10.3
165.14082	0.3
166.13132	0.5
169.61990	0.4
173.04486	0.5
177.09164	1.4
183.13829	43.6
184.14156	2.9
191.05553	1.7
203.05518	1.3
209.11743	1.0
221.06651	1.9
223.00101	0.8
227.12842	20.2
228.13196	1.0
241.01154	7.8
259.02286	0.9
263.07034	0.6
291.06482	1.8
306.08984	1.0
307.09406	0.4
309.07751	0.7
316.05014	0.4
321.07800	0.5
321.11307	1.4
327.13229	0.4
328.13940	0.5
333.05838	0.5
339.12485	2.4
363.08517	0.4
381.13495	3.2
435.17496	0.4
543.18481	42.9
544.18750	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.0
64.96457	1.4
69.03339	1.8
69.49892	13.5
70.14126	1.4
70.80067	1.5
71.01268	5.0
73.02817	3.4
78.95786	4.7
80.96387	2.7
81.03333	2.0
84.89008	1.6
85.02842	4.4
86.58636	1.5
87.00756	3.7
87.04356	1.7
89.02309	2.2
93.03340	4.5
94.06503	1.8
95.04935	1.8
96.96859	2.4
97.02843	3.8
97.06507	1.6
98.03054	1.4
101.02317	3.6
104.04910	2.1
106.06506	16.0
107.04896	8.4
108.02024	3.7
108.04457	4.1
109.02841	3.3
119.03447	2.1
120.04546	1.5
121.02843	1.8
122.06009	27.8
124.03980	2.0
125.05978	8.4
132.04457	4.8
134.06012	53.5
135.04443	5.4
135.06364	2.2
137.02406	2.1
141.05481	3.7
148.03938	3.1
151.03886	2.7
152.01057	2.3
160.03940	18.5
161.04613	4.7
162.05519	100.0
163.05882	3.8
165.09358	1.4
166.05022	9.5
169.05023	2.1
173.04527	5.4
174.05502	4.8
176.03339	2.4
184.06079	1.8
186.05540	2.7
188.03456	21.3
191.05560	7.6
193.03696	5.4
200.07068	2.3
202.08640	4.2
202.12292	2.0
203.05656	3.8
204.06604	3.0
206.04474	1.9
206.08220	2.6
207.41405	1.6
212.05344	1.7
212.07143	4.4
213.07886	2.3
214.08553	2.2
216.06560	1.8
226.08725	1.7
228.10208	2.5
230.08202	1.9
230.11812	8.6
240.06662	1.7
242.08209	3.2
242.11818	6.3
244.09819	2.5
244.13373	1.9
246.07637	3.7
254.08000	2.3
256.09720	2.4
262.10922	5.1
264.08810	3.0
265.09824	1.9
266.10376	2.4
267.11200	3.1
268.11768	1.9
270.11325	4.8
274.10803	9.5
279.07721	4.1
280.08093	3.4
286.10831	3.9
288.12399	7.3
292.12030	13.9
293.09387	4.6
294.09921	10.2
295.10538	5.6
296.09299	4.5
313.11819	2.3
314.10382	4.7
318.09882	3.8
327.09512	2.7
330.09894	1.9
336.10782	12.7
337.11548	2.7
341.11542	7.7
349.11890	5.2
367.12857	14.5
368.13385	2.5
393.18045	3.6
395.16061	5.1
417.16455	1.7
419.15903	4.4
435.17572	6.2
437.17145	22.2
438.17337	2.0
449.19119	4.4
455.18213	10.0
456.17825	2.4
463.15298	19.0
464.15384	1.6
467.20102	5.2
479.16879	2.1
481.16162	30.1
482.16547	4.4
499.17184	48.0
499.24002	3.4
500.17670	6.9
510.18726	1.7
511.19199	6.5
525.15320	3.4
526.18744	1.9
543.15601	17.5
544.18817	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37911	1.0
59.01258	4.4
59.69193	1.0
69.03332	1.3
69.44242	10.3
71.01255	2.7
73.02804	1.4
77.88610	1.0
78.95776	2.8
80.04919	2.2
80.96386	6.0
93.03345	1.8
94.06495	2.6
94.97965	1.8
95.04893	2.0
96.95866	1.5
97.02842	1.6
97.06472	1.5
106.06503	13.8
107.04905	6.2
108.04426	3.8
122.05997	26.0
124.03907	1.5
125.05991	8.2
132.04465	4.4
134.06012	47.5
135.04303	1.2
135.06319	1.7
141.05440	4.2
150.05508	1.8
152.01033	1.7
160.03964	17.6
161.04604	3.4
162.05518	100.0
163.05858	4.4
164.98523	2.0
166.05025	8.5
172.07649	1.4
173.04645	1.8
174.05518	5.2
174.09131	1.7
176.03444	1.6
176.07065	1.2
184.06061	2.9
186.05508	3.7
186.09036	1.6
188.03465	22.4
188.07140	1.9
188.10536	1.6
190.05043	1.6
190.08626	1.2
191.05566	2.7
193.03711	3.5
200.07091	2.1
202.08704	2.7
202.12395	1.6
203.05765	2.5
203.16388	1.2
204.06564	3.5
206.08136	3.2
209.11783	1.4
212.07184	2.4
214.08733	3.8
217.07262	1.5
218.11998	1.3
220.30151	1.1
226.05066	2.0
226.08649	3.5
228.06462	1.3
228.10223	2.2
230.08127	3.8
230.11818	8.8
232.13316	2.6
242.08186	2.7
242.11823	7.0
244.09886	1.9
244.13164	2.0
246.07701	2.9
246.11295	1.6
252.10231	2.6
254.08148	1.9
256.09750	4.0
258.07797	1.4
258.11237	1.3
262.10837	3.9
264.08856	1.5
267.11136	1.5
270.11395	6.9
274.10938	9.4
276.56369	1.1
283.10651	1.2
286.10782	3.5
288.12375	5.8
292.11969	10.6
295.10867	4.0
296.09238	4.7
300.08685	1.4
314.10239	2.7
318.10043	2.4
323.10513	1.4
336.10889	7.8
337.11636	2.4
341.11459	5.7
349.11896	3.2
367.12967	9.9
393.18188	2.4
395.16187	2.7
419.16287	2.9
421.13931	2.2
437.17188	19.8
438.17831	2.6
455.18381	9.8
463.15112	11.4
464.15497	1.5
481.16077	22.7
482.16498	3.7
499.17166	32.8
500.17416	5.9
525.15015	1.9
543.16364	16.5
544.16254	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17757	2.0
55.39042	1.9
59.01250	19.6
62.78882	1.7
71.01254	7.8
71.34976	4.6
73.02813	4.5
76.51549	2.0
78.95786	2.9
80.96423	3.1
83.01231	2.0
85.02831	4.3
89.02328	3.8
93.03335	8.1
98.19933	2.5
99.45898	1.9
101.02352	4.7
106.70139	2.1
108.02082	2.8
109.02825	5.9
110.06033	4.6
113.41041	2.1
119.03471	2.7
121.05196	2.7
122.05995	7.7
135.04430	4.6
136.07564	2.4
137.02411	5.2
138.05457	3.6
144.04404	2.7
146.06055	3.7
152.01047	3.9
153.01842	3.0
172.03969	3.3
173.04492	4.2
176.03539	2.3
179.03481	3.0
179.07050	2.1
188.03337	2.7
191.05553	11.9
196.63542	1.9
203.05824	6.5
204.06607	7.2
205.07358	3.3
222.15205	2.0
225.10262	3.8
226.11133	2.2
235.08560	2.5
237.06519	5.2
238.07468	6.8
244.08102	2.1
249.10294	3.3
250.08852	2.3
250.11133	9.6
251.08154	11.8
252.09061	7.5
253.09851	9.1
264.05313	3.4
265.06110	7.5
265.09805	25.5
266.10419	11.2
267.11362	24.1
278.06964	9.7
279.07748	46.4
280.08322	3.5
293.09317	77.8
294.10092	83.6
295.10620	12.1
297.08743	3.3
298.09497	2.8
308.07968	2.4
311.10330	6.3
313.12057	2.5
325.12094	5.2
326.09164	37.9
326.12714	8.3
327.09726	4.5
327.13525	6.9
343.13153	6.0
358.11728	8.9
360.17328	3.1
372.17200	9.4
390.18237	11.0
391.53009	2.1
416.16168	9.1
434.17206	71.4
435.17444	11.0
436.18777	8.2
448.18921	30.2
449.19321	5.0
466.19879	54.2
467.20175	9.2
478.16132	40.9
479.16580	6.6
480.21576	3.8
492.17926	4.5
498.22537	8.4
510.18832	100.0
511.19009	19.3
528.33142	2.7
542.21790	22.0
543.21252	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	15.3
69.45564	19.1
71.01256	4.7
82.35047	2.2
89.02274	2.5
93.03312	4.3
101.02334	4.0
109.02876	3.1
110.05979	7.5
113.02337	2.6
121.05235	2.7
122.06031	12.7
135.04393	3.6
136.72247	2.1
137.02333	5.0
138.05496	9.3
142.36401	2.0
144.04433	8.2
144.68707	2.2
146.06017	13.3
162.05513	3.5
173.04521	4.9
179.76254	2.1
188.03477	3.4
191.05513	8.9
203.05855	13.7
204.06584	12.5
205.07294	4.9
223.08627	2.9
225.10286	4.6
226.11131	2.8
235.08661	3.1
237.06598	6.2
237.10179	3.7
238.07442	5.8
247.29517	2.1
250.10970	10.9
251.08199	11.4
251.11732	2.5
252.08928	8.4
253.09834	11.4
257.83643	2.1
264.05502	3.4
264.09021	2.2
265.06412	9.9
265.09799	19.8
266.10471	8.0
267.11359	29.7
270.06384	2.3
278.06964	8.9
279.07742	53.7
280.08276	7.0
293.09320	90.6
294.10065	90.0
295.10571	10.4
298.09573	4.2
299.10141	3.0
311.10437	13.8
313.11963	4.8
315.13333	2.2
325.11963	7.1
326.09006	34.2
326.12741	13.9
327.09790	3.6
327.13458	8.9
329.11472	4.1
337.07971	2.7
343.12943	7.9
344.13571	2.9
348.17123	2.8
358.11807	10.0
360.17130	5.5
362.15222	2.6
372.17175	11.9
390.18155	7.2
416.16107	14.5
434.17206	66.0
435.17508	10.7
436.18759	9.4
443.99481	2.7
448.18823	34.2
449.19360	4.2
466.19861	64.6
467.19974	8.4
478.16190	36.6
479.16693	2.7
480.21469	4.9
492.17792	6.9
498.22284	9.4
510.18863	100.0
511.18997	19.8
526.28400	2.4
542.21588	28.4
543.21112	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49958	0.4
51.70482	0.5
57.78472	0.5
59.01253	6.0
60.99183	15.7
67.01802	0.5
69.11324	0.5
69.71117	0.5
71.01254	2.9
71.24220	0.5
71.58527	1.0
72.99182	1.9
73.02827	0.9
73.61553	0.4
73.94673	0.4
75.00746	1.8
78.95799	1.3
80.96380	0.6
83.01236	0.5
83.04898	1.6
85.02836	1.7
87.00758	1.2
88.00284	4.2
88.98683	100.0
89.02330	7.4
90.01845	1.0
91.33958	0.5
93.03328	2.5
96.95899	9.6
96.96848	1.0
97.02805	0.6
101.02342	1.9
108.02072	1.9
108.04401	0.7
109.02834	2.4
112.80804	0.5
113.02341	1.0
121.02824	0.8
123.04411	0.5
124.03934	0.9
125.02386	0.6
127.75052	0.5
135.04404	1.4
137.02312	1.2
151.04012	0.5
152.01077	2.2
152.07164	0.9
152.99539	0.8
153.01842	1.8
161.02371	1.0
161.04492	0.6
162.05499	0.8
163.03918	1.1
167.18251	0.5
168.06537	0.5
168.56682	0.5
173.04533	1.0
177.01915	0.6
179.03413	0.7
184.92780	0.4
191.05547	3.8
196.06111	5.1
197.06471	2.5
199.89911	0.5
225.11382	0.5
241.01102	0.7
265.09875	0.9
267.11429	0.9
279.07944	1.1
293.09402	2.1
294.10040	1.4
326.09195	0.7
434.17224	2.8
447.29327	0.7
449.31470	1.8
465.31238	0.9
466.20145	0.8
469.30844	0.5
478.16415	1.1
481.33844	1.4
510.18979	2.4
511.16202	0.5
541.18372	3.6
541.27374	0.5
542.18237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.5
58.00473	0.5
59.01249	15.6
64.61134	0.3
69.03307	0.6
71.01253	18.4
72.01607	0.4
72.99187	0.6
73.02818	5.1
75.00734	1.0
83.01257	0.8
83.04891	1.4
85.02828	4.9
87.00751	10.4
87.04390	8.5
89.02319	13.0
90.02666	0.4
93.03362	0.5
96.95869	0.4
98.20547	1.0
99.00776	0.5
99.04395	0.5
99.17231	0.3
101.02325	6.8
102.62428	0.3
103.03898	1.3
105.01843	0.8
108.02033	0.4
109.02826	0.6
113.02330	7.4
115.03878	0.4
117.01817	0.3
117.06996	0.9
119.03365	2.4
119.08563	1.2
121.02884	0.4
123.04471	0.3
123.08007	0.6
130.04083	0.4
131.03406	3.3
133.04961	100.0
134.05296	2.8
135.04393	0.7
137.02269	0.5
141.68329	0.3
143.03375	1.2
145.06488	1.5
152.01031	0.6
153.01768	0.7
153.05659	0.3
159.11749	1.7
161.04460	1.9
171.08086	3.1
173.04475	0.7
173.09663	0.4
175.06033	5.1
179.05545	1.2
183.11772	0.6
184.08824	0.5
185.09641	2.0
186.10435	11.9
187.10831	0.7
191.05522	1.9
199.11230	1.9
201.12781	36.8
202.13110	2.8
205.07085	2.4
206.07541	0.4
235.08240	1.2
245.11800	31.6
246.12161	2.9
247.13283	0.4
271.04309	0.3
394.95996	0.3
415.37784	0.3
425.18210	0.6
523.45819	0.3
541.22882	19.4
542.23358	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95571	0.6
57.03310	1.1
57.96140	0.6
59.01254	11.8
62.15839	0.6
69.03329	0.7
71.01234	3.0
73.02819	4.0
76.26795	0.7
81.03335	1.6
83.01258	1.5
85.02837	4.0
87.00747	0.8
89.02317	1.3
93.03326	2.5
95.01260	3.2
99.00753	1.5
101.02322	2.4
108.02054	58.2
109.02841	43.2
109.03938	0.8
110.03175	1.3
113.02321	2.3
118.22552	0.7
121.02862	0.7
123.00765	3.1
125.02319	1.8
125.09650	1.0
131.83176	0.6
135.00752	2.4
135.04410	2.8
137.02324	2.6
139.11212	4.5
150.06793	1.4
151.03886	1.4
151.23581	0.6
152.01054	56.0
153.01845	30.5
154.02187	1.3
157.08490	1.1
163.03912	1.2
165.01772	1.1
171.46785	0.6
173.04503	1.5
173.05881	0.7
177.01791	0.8
177.23393	0.6
179.03401	0.8
179.10655	1.8
181.12169	2.0
183.10173	4.9
191.05486	2.2
205.12100	0.8
221.78281	0.7
225.11243	2.3
243.12346	2.1
315.07144	2.2
337.20230	1.4
371.09888	1.1
479.19171	3.6
481.17258	4.0
484.63733	0.7
497.20383	6.5
498.21323	0.8
515.64319	0.7
523.18237	3.0
541.19226	100.0
542.19635	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29605	1.2
57.03331	1.6
59.01254	16.3
61.98726	1.5
62.83403	1.3
64.00785	1.3
67.01764	1.1
69.63345	9.6
71.01261	6.9
72.99178	2.0
73.02831	3.0
75.00743	1.8
85.02809	5.1
87.00771	1.5
89.02319	3.0
89.80944	1.2
93.03336	3.5
94.06497	2.3
95.01283	1.5
98.20526	2.5
101.02320	3.2
102.00509	1.2
107.03648	8.0
108.02061	9.1
108.85873	1.2
109.02864	8.4
110.03170	1.3
111.76289	1.1
112.03954	2.8
113.02313	2.9
114.20023	1.3
116.04973	6.8
121.02843	1.6
122.06018	43.6
123.03152	5.1
123.04380	2.0
124.03949	4.5
125.02320	4.4
132.04448	5.6
134.05986	3.0
135.04398	4.4
137.02370	2.9
138.05515	17.7
139.02679	3.6
142.13072	1.3
148.23044	1.4
150.05540	1.8
152.01030	8.0
152.07083	100.0
153.01828	7.4
153.07414	4.3
154.02202	1.9
158.02295	1.7
160.03960	26.8
161.04396	2.0
164.07042	3.9
168.06557	1.8
172.03897	1.4
173.04527	2.2
176.64079	1.2
178.05048	1.7
182.04456	1.6
184.06081	2.8
190.05031	13.2
191.05533	7.6
192.06602	66.3
193.06917	3.6
196.06071	11.3
204.06606	2.7
227.11729	1.2
255.11540	2.0
264.97699	1.2
267.11325	2.3
281.09235	3.2
293.09302	2.6
297.12097	1.4
315.07175	2.4
325.11908	32.2
326.12405	3.5
329.15137	2.1
330.15143	1.4
337.09256	1.6
355.13098	11.4
356.13422	1.4
357.10086	2.6
357.14557	54.6
358.14847	3.6
402.14594	1.8
414.14215	1.4
420.19241	1.8
446.17255	5.9
464.18250	15.1
465.17053	5.3
468.17725	2.3
476.14651	2.5
478.19772	2.1
490.16031	5.2
496.20172	2.9
508.17258	17.7
522.18579	3.6
539.34357	2.0
540.18835	17.2
540.34497	2.7
541.19073	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.4
65.62050	0.6
69.43436	1.8
69.43851	4.5
71.01257	5.9
73.02808	1.3
79.16640	0.6
82.27438	0.7
83.01241	1.0
85.02838	1.8
89.02310	3.7
92.04946	1.3
93.03325	1.0
94.06498	2.1
95.04891	0.7
97.69057	0.7
98.19792	1.2
101.02336	2.9
107.03665	7.8
108.02048	1.2
109.02823	2.1
110.02364	1.6
112.03905	2.2
113.02355	1.2
116.04955	8.4
119.03379	1.4
120.04498	0.9
122.06013	47.2
123.03166	4.4
123.06330	1.8
124.03947	3.9
124.07584	0.6
125.02323	1.3
130.02826	1.5
132.04456	6.9
134.06012	2.7
135.04393	1.6
138.05504	16.6
139.02673	2.3
140.06972	0.9
149.04504	0.8
152.01070	1.0
152.07085	100.0
153.01817	1.1
153.07504	3.8
158.02412	2.5
160.03957	25.9
161.04436	2.2
164.07063	4.6
166.05081	0.9
172.03935	1.6
173.04506	1.0
176.03513	1.5
177.04193	0.7
179.03555	0.7
182.04587	1.4
184.06059	2.0
188.07114	0.7
190.03442	0.4
190.05020	13.8
191.05565	4.1
192.06601	70.9
193.06924	2.7
204.06674	1.5
209.12123	0.6
212.10728	1.2
238.18872	0.7
255.11397	2.2
262.55017	0.9
267.11496	1.4
281.09265	2.3
293.09439	0.9
295.11002	0.9
323.10428	1.1
325.11893	17.1
326.12222	2.3
329.15073	0.8
355.12991	8.9
356.13632	1.0
357.14560	55.0
358.15024	4.8
377.29041	1.2
378.29266	0.8
420.19360	1.6
436.14825	0.8
446.17267	1.9
464.18253	11.9
465.17389	2.9
468.18201	0.9
478.20065	1.4
490.16299	2.0
496.21289	1.5
508.17340	18.3
509.17596	2.2
522.18805	2.3
539.34509	2.3
540.20044	6.9
540.34399	2.1
541.19568	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37126	0.3
59.01253	5.8
61.98706	100.0
71.01265	1.5
71.10772	0.3
71.58093	0.3
71.58500	0.3
73.02827	0.9
73.53697	0.3
76.45891	0.3
84.25239	0.3
85.02846	0.5
89.02336	0.5
101.02351	1.1
109.02838	0.5
113.02358	1.3
119.03451	0.3
121.02823	0.6
135.04434	1.9
136.04796	0.4
137.02382	0.5
151.03920	0.6
153.01917	0.3
161.04497	0.5
164.77545	0.3
165.13097	0.3
191.05586	1.0
316.12869	0.4
317.12949	0.5
318.13412	0.4
411.80551	0.3
454.25903	0.4
479.31509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01252	10.6
61.98704	100.0
62.98423	0.3
67.57195	0.2
69.31078	0.3
69.31487	1.9
71.01257	2.9
72.99163	0.2
73.02823	0.7
78.95772	0.2
83.01266	0.4
85.02835	1.1
87.00776	0.3
89.02326	1.9
93.03329	0.5
95.01279	0.3
95.04910	0.5
99.00761	0.3
101.02314	1.4
109.02850	0.3
113.02342	2.2
113.05989	0.6
119.03410	0.6
135.04460	0.8
143.03484	0.2
161.04517	0.4
173.04521	0.4
179.05617	0.5
191.05502	0.4
193.04660	0.2
197.43073	0.2
225.05528	0.3
314.13315	0.2
337.11252	0.3
481.28006	1.1
499.29425	1.0
540.30731	0.2
541.30011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	3.5
57.03311	1.9
58.00456	1.5
59.01253	20.3
69.03297	1.0
69.38663	6.8
69.39079	1.9
71.01257	20.4
72.99174	1.9
73.02814	7.9
75.00739	6.4
83.01246	4.8
84.69196	0.9
85.02828	10.3
85.99968	1.3
87.00739	3.1
89.02297	6.5
93.03334	3.5
93.95438	0.8
95.01253	2.2
99.00729	2.9
101.02331	17.2
108.02048	2.1
109.02848	2.0
111.00745	2.0
113.02338	6.7
119.03368	2.0
121.02851	5.3
122.03644	6.0
123.00741	0.9
123.04444	1.6
132.02042	1.3
133.02864	6.7
134.03612	1.7
135.04424	5.8
136.01540	0.8
137.02327	1.2
140.13507	0.8
147.04381	1.6
149.02351	33.5
149.05949	1.6
149.60696	0.8
150.03131	41.1
151.03661	1.2
152.01103	1.1
153.01797	1.2
159.02908	1.4
161.04466	1.8
164.04706	6.4
165.05492	30.5
166.06227	5.5
167.06947	1.1
173.04541	2.1
179.03464	1.4
179.05489	1.3
180.04178	2.3
181.08607	6.8
191.05548	6.5
195.06578	12.7
230.42946	1.0
242.05873	0.9
271.09894	2.0
278.84650	0.9
314.11615	6.2
315.12143	1.3
329.13950	13.6
330.14096	1.6
343.13943	13.9
448.65030	1.0
461.39249	0.9
467.53061	1.0
491.19235	100.0
492.19586	14.7
539.13379	1.4
539.20911	9.9
539.28394	1.6
540.20990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20124	1.6
54.31148	1.4
58.65283	1.6
59.01256	39.1
64.57018	1.6
71.01254	35.0
71.56371	2.9
72.99197	2.4
73.02814	3.5
75.00757	1.9
78.95780	2.7
85.02827	6.5
87.00775	15.2
89.02318	46.4
95.01250	2.5
97.02827	4.1
99.00785	2.0
101.02327	29.0
108.90084	2.4
111.00793	2.0
113.02333	22.2
119.03392	11.8
125.02346	2.0
131.03389	2.2
139.03995	1.8
143.03378	7.2
149.04425	2.9
159.02870	4.4
161.04453	12.4
165.03902	5.7
179.05551	48.2
180.05779	1.7
221.06583	21.3
263.07724	1.7
281.08752	2.3
309.65121	1.7
323.09857	9.5
339.69745	1.8
341.10840	10.7
377.08585	11.3
383.12036	5.3
503.16220	100.0
504.16541	11.2
539.13892	30.5
540.14032	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
58.00459	1.2
59.01253	21.5
69.25256	1.5
69.25673	5.8
71.01260	11.3
72.12562	0.6
72.99165	1.5
73.02821	3.1
73.47369	0.6
75.26356	0.6
83.01261	1.5
85.02827	4.8
87.00783	1.1
89.02333	5.1
89.57114	0.5
93.03320	1.6
99.00768	0.8
101.02330	8.7
113.02312	4.0
119.03401	1.0
123.04395	0.6
125.02310	1.0
133.69466	0.5
135.04414	1.2
137.02361	0.8
151.03932	1.6
157.12239	0.9
161.04437	1.0
169.12267	0.9
185.11728	1.2
191.05641	1.1
228.17520	0.6
243.06790	0.6
303.13535	0.6
329.23273	0.7
333.12198	0.7
357.26596	3.3
370.39682	0.6
375.27536	14.9
376.27783	1.7
447.06680	0.6
462.28464	0.6
471.26065	0.6
477.30356	3.5
519.31616	1.6
537.32813	100.0
538.24817	0.9
538.33179	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
57.03332	1.5
58.00462	0.6
59.01253	18.8
60.01558	0.3
62.87792	0.3
68.20683	0.3
69.31165	1.0
69.31583	2.5
71.01254	12.0
72.99175	0.8
73.02821	3.9
75.00745	0.4
83.01268	2.2
85.02824	5.3
87.00745	1.4
89.02324	5.4
93.03355	0.7
95.01269	1.1
97.02813	0.4
99.00762	1.2
99.19737	0.3
100.58430	0.3
101.01697	0.6
101.02326	9.2
101.02982	0.5
102.02652	0.5
108.02058	2.2
109.02849	0.5
111.00747	0.7
113.02338	3.7
116.61477	0.3
118.41564	0.3
119.03382	1.1
125.02306	0.9
134.03613	0.3
135.04416	1.4
137.09647	0.4
149.05956	1.0
151.99930	0.4
152.01070	5.3
153.05453	0.5
161.04550	0.8
161.05954	1.7
162.06375	0.3
165.05504	0.3
173.04472	0.6
179.07050	0.9
183.13855	0.6
183.57170	0.3
189.93507	0.4
191.05521	1.1
211.76782	0.3
213.14882	0.5
243.06561	2.8
265.21704	0.6
283.22729	0.4
287.93896	0.4
315.12344	3.4
316.12573	0.6
329.26999	0.9
357.26434	1.2
375.27509	3.1
457.10519	0.3
461.19064	0.6
477.30344	2.3
495.31525	1.2
519.31683	0.7
537.32782	100.0
538.33118	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37297	0.4
55.01757	3.2
57.03324	3.0
58.00468	1.3
59.01253	100.0
59.39007	0.6
60.01591	1.9
67.01774	0.6
67.64407	0.5
68.99673	0.5
69.03339	1.8
69.70084	3.4
71.01256	33.9
72.01572	0.8
72.99187	1.9
73.02821	13.6
78.95785	3.2
81.03367	0.6
83.01266	8.6
83.04893	5.0
85.02825	21.9
85.99976	1.6
87.00757	1.8
87.04398	0.7
89.02326	3.9
93.03370	0.8
95.01290	2.7
95.81740	0.5
95.88966	0.6
97.02838	1.6
98.19775	0.7
99.00744	5.2
99.04401	3.3
101.02332	28.6
102.02720	0.8
109.02846	1.1
111.00784	4.0
112.01585	1.3
113.02337	15.6
119.03384	0.8
121.02849	0.9
123.04430	0.7
124.01544	1.0
125.02361	1.8
129.01825	1.0
135.04424	5.3
141.01892	0.9
143.03398	2.6
148.05229	0.6
152.99466	1.0
159.02911	3.3
161.04480	10.3
163.07300	0.6
169.01318	0.5
173.04393	0.7
175.07487	0.8
176.89870	0.6
191.05524	2.6
213.18567	2.6
223.06044	0.7
241.05107	1.4
271.22757	1.2
301.23953	4.7
315.12399	2.2
315.25418	2.5
333.26462	5.2
375.27451	0.7
421.93185	0.5
433.27893	0.6
459.29877	0.7
477.30688	74.0
478.31018	11.9
495.31757	16.5
496.32080	1.7
537.24994	1.0
537.32300	4.7
538.32886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2914
Annotation	Platanionoside D
Peak:m/z	Relative Intensity
53.16285	0.3
55.01757	3.7
55.98118	0.3
57.03327	3.8
58.00457	1.3
59.01250	26.0
69.03330	0.9
71.01253	48.5
71.58009	0.4
71.58379	0.7
72.01588	1.1
72.99181	2.5
73.02818	16.8
75.00743	1.3
78.95799	0.5
81.03333	0.4
81.27537	0.4
83.01261	8.2
84.02078	0.5
85.02824	27.0
85.99987	1.5
86.03191	0.6
87.00753	3.5
89.02315	8.9
93.03341	0.9
95.01270	3.9
96.95885	1.0
97.02824	1.1
99.00756	7.2
101.02322	37.5
102.02677	0.8
108.02084	0.4
109.02847	0.8
109.17209	0.4
111.00749	4.3
113.02331	19.4
114.02749	0.4
119.03390	3.1
119.04941	0.5
125.02355	1.3
129.01831	1.6
131.03383	1.0
135.04411	1.2
136.09055	0.3
137.02328	0.4
141.01883	0.4
143.03429	2.0
149.04547	0.8
149.05954	0.4
150.03163	0.5
151.03856	0.4
159.02910	4.3
161.02420	0.5
161.04459	12.7
162.04825	0.4
165.05531	0.8
173.04498	1.1
179.03419	0.5
179.38814	0.4
184.11668	0.3
191.05516	3.1
191.53293	0.4
192.05925	0.5
199.07498	0.7
205.03461	0.5
231.19907	0.3
233.06645	0.5
243.06595	0.5
267.06427	0.4
320.95169	0.4
327.12555	0.5
371.66022	0.4
375.23849	12.8
376.24228	1.6
419.22794	1.1
477.23657	0.7
493.23038	0.5
537.29175	100.0
538.16998	0.5
538.29541	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.2
57.03310	3.9
57.29891	2.2
59.01252	100.0
60.38421	2.4
61.98714	5.3
63.19304	2.1
69.03332	2.1
71.01256	47.3
71.58183	3.0
72.99183	9.5
73.02828	17.2
75.00767	2.5
77.77914	2.1
78.89832	1.9
78.95785	6.8
83.01266	6.8
85.02820	21.4
87.00744	6.6
88.98693	1.9
89.02318	55.1
93.03358	14.0
95.01277	3.5
95.12052	2.1
97.02853	3.6
99.00730	12.7
101.02329	43.6
106.88319	2.1
108.02072	8.4
109.02831	18.8
111.00822	2.5
113.02337	17.8
118.96988	2.2
119.03378	6.4
121.02847	4.4
123.00752	4.5
123.04401	3.2
124.01556	6.1
125.02340	16.2
131.03392	8.3
135.04420	11.8
137.02347	22.3
143.03421	3.7
147.04381	2.1
149.04446	49.4
149.99524	10.3
151.00284	6.9
152.01041	11.8
153.01819	9.5
158.38495	2.0
159.02876	2.4
161.02333	4.5
161.04498	13.2
161.05672	2.2
164.04749	4.1
168.00565	15.9
169.01305	3.9
173.04506	4.9
177.01851	5.4
177.05437	3.9
179.03448	3.1
179.05418	2.0
179.07031	2.6
182.84479	2.0
185.70201	2.0
186.82797	2.1
191.05556	27.6
192.39931	2.3
221.06609	5.1
251.07677	4.3
311.09970	3.2
315.06976	2.7
331.06677	4.7
375.27557	4.5
389.25693	3.0
477.30923	22.4
493.17038	3.4
495.32104	5.2
537.12701	19.3
537.21063	28.3
537.29626	26.6
538.13049	3.4
538.21545	5.1
538.29926	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82417	0.5
56.50550	0.5
59.01251	100.0
59.73751	0.6
59.94766	0.6
60.01591	0.9
61.98707	1.5
63.43847	0.5
71.01251	2.5
71.58655	1.0
73.02829	0.6
77.00340	0.5
78.95773	12.3
82.95301	0.7
85.02850	1.6
86.34576	0.5
89.02341	0.9
93.03347	0.9
96.95901	1.1
96.96854	1.0
101.02347	1.0
104.21747	0.6
109.02883	1.1
113.02408	0.8
135.04436	2.3
139.07570	0.6
145.02753	0.5
152.99506	6.6
171.00681	0.9
171.10179	0.6
173.04527	1.0
191.05629	1.7
196.81343	0.5
197.11755	3.2
222.39534	0.6
261.61841	0.7
291.19809	1.2
293.71658	0.6
309.20700	3.2
357.02817	0.5
425.47958	0.6
474.39835	0.7
537.24866	10.0
538.25262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90469	3.3
55.01744	4.0
57.03321	4.8
59.01251	100.0
62.97862	3.8
69.71880	26.1
71.01254	45.1
72.99171	6.4
73.02815	14.7
75.00750	6.2
83.01240	5.3
85.02822	17.5
87.00732	6.9
89.02323	84.2
93.03333	8.9
99.00759	21.1
101.02322	44.5
108.02055	4.9
109.02839	12.4
113.02342	12.1
119.03374	10.1
123.04382	5.7
125.02330	7.5
131.03398	12.8
135.04396	7.6
137.02298	4.6
143.03345	5.9
149.04469	82.2
151.00264	6.9
152.01009	8.2
153.01910	7.2
161.02376	4.5
161.04460	5.6
169.01331	5.0
173.04439	10.9
177.01813	3.7
178.35609	3.8
191.05513	34.4
191.06998	4.7
221.06548	7.5
251.07689	11.7
267.28473	4.2
311.09726	6.7
342.11371	4.7
357.13303	4.1
375.27521	4.3
537.13354	7.3
537.20978	55.1
537.29358	28.5
538.21277	10.8
564.20154	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77083	2.0
59.01250	51.9
60.01595	2.0
61.33543	2.5
61.98706	2.1
62.16499	1.8
62.32520	2.3
69.78947	14.3
71.01250	17.5
73.02826	11.4
78.95787	6.7
82.95287	100.0
83.01263	5.3
83.02388	5.2
85.02843	5.4
87.00755	2.3
89.02329	4.5
93.03354	4.7
101.02335	9.7
106.14240	2.3
109.02835	8.0
109.07613	2.3
113.02328	4.1
119.03381	2.5
119.35477	2.1
121.02850	3.1
122.03627	4.1
122.15617	2.2
123.04427	2.2
135.04411	10.0
135.46184	1.9
137.02327	7.6
141.63193	2.0
147.35405	2.1
149.02357	12.5
150.03114	9.3
151.03902	8.6
152.04305	3.7
152.99510	4.0
161.02342	17.4
161.05933	2.4
163.03970	3.1
173.04500	5.3
173.05936	3.3
182.02043	3.4
182.28075	2.2
187.03973	3.0
189.05461	3.5
190.06245	5.0
191.05537	9.3
203.06976	2.6
215.07079	3.9
217.08623	4.5
255.50357	2.3
271.13437	24.6
273.15051	4.6
365.14020	4.7
383.10446	2.9
451.19763	7.6
493.20782	87.7
494.21191	11.1
537.17993	4.1
537.25665	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77083	2.0
59.01250	51.9
60.01595	2.0
61.33543	2.5
61.98706	2.1
62.16499	1.8
62.32520	2.3
69.78947	14.3
71.01250	17.5
73.02826	11.4
78.95787	6.7
82.95287	100.0
83.01263	5.3
83.02388	5.2
85.02843	5.4
87.00755	2.3
89.02329	4.5
93.03354	4.7
101.02335	9.7
106.14240	2.3
109.02835	8.0
109.07613	2.3
113.02328	4.1
119.03381	2.5
119.35477	2.1
121.02850	3.1
122.03627	4.1
122.15617	2.2
123.04427	2.2
135.04411	10.0
135.46184	1.9
137.02327	7.6
141.63193	2.0
147.35405	2.1
149.02357	12.5
150.03114	9.3
151.03902	8.6
152.04305	3.7
152.99510	4.0
161.02342	17.4
161.05933	2.4
163.03970	3.1
173.04500	5.3
173.05936	3.3
182.02043	3.4
182.28075	2.2
187.03973	3.0
189.05461	3.5
190.06245	5.0
191.05537	9.3
203.06976	2.6
215.07079	3.9
217.08623	4.5
255.50357	2.3
271.13437	24.6
273.15051	4.6
365.14020	4.7
383.10446	2.9
451.19763	7.6
493.20782	87.7
494.21191	11.1
537.17993	4.1
537.25665	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43807	0.2
59.01248	3.7
61.98698	0.2
65.00200	0.8
65.03802	0.2
71.01263	1.3
71.38834	0.3
73.02811	0.5
74.02354	0.4
80.02549	0.6
85.02847	0.5
89.02315	0.9
91.01772	16.1
92.02048	0.3
93.03354	1.1
95.01272	0.7
99.00736	0.3
101.02320	0.9
107.01250	0.3
107.04912	0.9
108.02056	18.8
109.02868	4.6
113.02338	0.4
113.82023	0.2
121.02854	1.0
123.00772	5.8
124.01576	0.6
125.02334	0.4
135.00781	14.7
135.04396	1.5
136.01096	0.4
137.02348	5.3
139.52063	0.2
152.01062	18.0
153.01736	1.1
157.99202	0.2
161.02344	0.3
173.04341	0.3
179.03322	0.3
191.05536	1.1
197.05989	1.5
199.07607	0.7
213.05553	1.1
215.07079	0.9
225.05435	0.4
227.77020	0.2
243.06607	100.0
244.06950	7.0
293.09076	0.4
375.17712	0.3
389.48642	0.2
401.86288	0.3
429.10428	1.8
477.30408	0.5
532.53253	0.3
536.31909	0.5
537.15985	4.3
537.24445	0.2
537.33191	0.5
538.16321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.6
64.97923	1.1
69.03331	3.6
69.26923	7.8
69.27345	5.0
71.01254	4.8
79.01746	1.1
83.01263	3.2
85.02824	2.3
85.09776	1.0
93.03323	2.9
95.01236	2.7
97.02837	3.5
101.02289	2.0
102.23705	1.0
107.01301	2.9
108.02069	4.2
109.02830	3.6
111.00786	1.5
113.02357	1.7
121.02851	3.1
123.00764	13.7
124.01560	27.5
125.02345	49.5
126.02655	1.5
137.02382	5.7
149.02333	7.1
149.98303	2.4
149.99496	41.5
150.00674	2.5
151.00269	5.2
152.01045	2.8
153.01787	2.3
154.99709	1.4
163.03825	1.8
164.04738	4.6
165.01820	1.6
166.99736	2.7
167.03464	1.5
168.00554	68.0
169.01273	7.3
175.00311	3.6
177.01865	1.5
178.99852	1.4
181.01257	1.2
190.02620	8.8
191.03461	1.6
195.03122	1.3
203.03387	1.3
205.05014	9.3
223.06030	3.2
225.44138	1.1
243.02817	1.1
248.45784	1.2
285.03946	3.0
287.01941	3.8
295.39767	1.4
313.05685	4.4
315.01669	5.8
331.06708	24.2
332.01819	3.6
367.10574	1.4
371.34915	1.3
493.10968	1.5
505.10040	1.4
519.11523	2.7
529.53790	1.4
537.12549	100.0
537.29407	4.0
538.12988	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35442	0.8
51.82213	0.7
55.01737	1.0
57.03304	2.3
59.01250	39.1
60.01271	0.7
66.14756	0.8
68.41878	0.7
69.03333	4.9
71.01255	12.2
71.58620	1.3
72.99163	2.0
73.02811	5.5
75.69565	0.8
79.65139	0.6
81.03318	1.9
83.01267	4.3
85.02822	6.3
87.00726	1.6
88.98656	1.7
89.02297	2.9
91.01750	1.2
93.03336	13.0
94.67170	0.7
95.01250	3.1
96.95901	1.2
97.02816	3.8
99.00743	1.8
101.01708	0.8
101.02325	10.0
107.01264	1.4
108.02030	3.0
109.02805	2.2
111.00784	1.3
113.02328	6.0
119.03351	0.9
121.02853	2.3
123.00764	8.3
124.00665	1.1
124.01553	24.9
125.02342	53.4
126.02658	1.8
135.00768	1.8
135.04379	2.4
136.01631	0.9
137.02338	7.1
139.03891	1.1
147.04289	0.7
149.02374	5.2
149.99496	39.3
151.00269	3.6
151.03867	0.8
152.00989	2.4
153.01808	1.1
159.02855	1.4
161.04427	2.4
163.03893	1.3
164.04684	3.1
167.03369	1.8
168.00557	74.0
169.01292	8.4
173.04480	1.4
175.00272	2.1
176.01091	0.9
177.01880	3.6
179.03401	1.3
190.02667	8.7
191.03252	1.3
191.05450	2.4
199.07573	1.4
205.04982	8.0
223.06068	3.4
229.17996	1.0
243.06621	14.4
244.06831	1.3
313.05698	4.9
331.06711	21.6
331.24976	1.3
332.06891	1.5
333.26566	3.6
367.10233	1.8
375.27530	2.2
477.30716	25.4
478.30728	1.2
495.31680	8.1
519.11285	2.4
533.76288	0.8
537.12317	100.0
537.32990	13.1
538.12598	16.4
538.33282	1.1
545.88190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01252	23.8
60.01583	1.3
63.02263	2.1
65.00192	6.9
67.01765	1.8
68.99686	2.9
69.03308	1.3
69.27037	7.2
69.27466	2.8
71.01252	12.7
72.99191	2.1
73.02808	6.8
78.95770	1.8
83.01256	5.3
83.04878	1.1
85.02824	3.6
87.00768	3.0
89.02313	4.5
93.03340	2.4
94.86780	1.0
95.01264	5.1
95.04905	1.0
96.99195	3.7
99.00736	2.0
99.04398	1.2
101.02310	6.8
106.00480	1.6
107.01282	7.1
108.02059	2.7
109.02839	11.1
110.00005	3.8
111.00774	5.7
111.04420	0.9
113.02335	3.3
115.03925	0.9
117.03412	0.9
119.03350	1.2
119.04929	1.1
121.02840	2.0
122.03647	0.9
123.00767	7.2
123.04383	1.2
124.01560	1.8
124.98747	2.0
125.02293	4.9
127.00251	1.4
131.04884	1.1
133.02831	2.6
135.00780	1.5
135.04390	2.7
136.98703	1.1
137.02348	5.6
137.99451	2.0
139.00272	13.1
139.03862	0.9
140.01064	1.5
141.01823	2.4
143.04907	2.7
145.02879	2.4
146.03685	1.1
147.04442	3.6
148.01552	1.8
149.02347	4.8
149.99541	2.5
151.00262	18.8
152.01073	6.2
153.01833	3.2
153.99007	3.2
154.02116	0.9
154.99802	8.7
157.02905	1.8
159.04442	6.8
159.93840	0.9
161.02402	4.3
161.04553	1.3
163.00275	3.2
163.03899	2.9
164.01054	3.0
164.98157	2.4
165.01851	1.2
165.98999	4.7
166.99750	3.6
167.03349	1.2
168.00548	2.3
169.01407	4.7
169.02750	0.9
171.04428	4.1
173.02350	2.2
173.04440	2.5
174.03128	2.4
175.02592	0.9
175.03868	4.5
176.01086	1.4
177.01833	5.5
177.99011	4.2
178.99780	15.6
179.03360	1.8
180.00400	1.4
181.01357	2.3
181.98465	4.3
185.02342	1.2
187.03923	10.6
189.01862	5.9
189.05542	1.2
190.02501	1.1
191.03346	3.2
191.05542	3.6
192.00664	2.0
193.01355	5.2
194.99257	2.9
198.03355	0.9
199.03917	5.1
199.07585	2.5
201.01886	3.7
202.02650	1.6
203.03432	11.5
205.01343	1.7
206.99318	1.2
207.02782	1.2
209.11818	1.8
210.12154	1.1
213.01917	1.6
214.02612	2.1
215.03409	7.0
217.01418	5.1
217.04929	1.4
219.02934	4.7
222.98869	1.8
225.01909	1.1
225.14969	1.1
227.03479	1.7
229.01404	2.2
230.02193	1.5
231.02942	10.9
232.03665	4.0
233.00977	1.3
233.04582	3.5
235.02495	1.0
241.01457	2.4
242.02219	1.8
243.02982	12.4
243.06712	1.2
244.03264	1.2
245.00824	1.6
245.04521	1.5
247.02443	2.2
255.02890	1.4
257.00891	2.3
258.01697	3.2
259.02411	10.5
260.03265	2.0
261.04031	3.1
269.00864	2.6
269.13901	5.1
270.14334	6.0
271.02499	12.1
271.14429	2.8
272.02817	0.9
285.04007	0.9
286.01065	4.6
287.01962	51.9
288.02542	7.6
289.03488	3.7
297.00333	6.2
299.02118	1.7
300.02783	2.0
303.01349	4.4
304.01920	1.1
305.02676	1.0
314.00616	2.8
315.01462	100.0
316.01804	8.4
317.02972	2.6
332.01709	24.9
333.02356	11.7
334.66132	1.0
385.07928	1.1
401.07443	1.4
437.10352	1.2
477.23291	1.9
492.21619	1.1
493.09631	1.2
493.21933	1.6
495.07825	1.7
495.24377	1.5
519.07855	2.6
537.08868	33.7
537.15833	2.7
537.29114	17.5
538.08911	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56901	1.1
53.50355	1.3
55.01759	2.7
55.29633	1.2
56.14787	1.1
56.25907	1.1
57.03318	4.0
59.01252	69.2
60.01579	3.7
61.98701	3.8
67.01791	1.4
71.01257	25.5
71.38801	2.8
72.99189	2.7
73.02828	11.0
74.03153	1.3
75.00745	1.6
80.04935	9.4
81.03349	1.8
83.01276	5.4
83.04911	2.0
85.02827	13.5
87.00771	3.4
89.02314	14.8
93.03362	2.9
94.06523	2.6
95.01265	2.5
99.00761	2.3
101.02324	19.0
104.04961	5.4
106.06530	4.2
107.03672	4.5
108.02101	1.5
108.04427	4.1
109.02853	4.4
111.00753	1.5
113.02338	10.5
119.03405	3.5
121.02824	2.4
122.06006	26.4
123.04433	3.5
124.01517	2.6
125.02336	3.0
130.06548	1.8
132.04454	2.3
133.02846	1.3
134.06020	12.4
135.04427	6.9
136.07608	2.8
137.02341	5.1
137.82994	1.1
139.02681	1.6
146.06027	4.8
148.03949	2.8
149.02296	1.4
150.03119	3.7
151.03915	14.4
152.04286	5.2
152.07077	55.8
153.01936	1.5
153.07393	1.6
159.88667	1.3
160.03955	2.1
161.02357	2.1
161.04512	3.0
161.05984	2.2
164.71608	1.2
165.05421	2.5
171.10149	1.4
173.04539	4.2
174.05548	4.2
179.05621	1.5
180.06586	7.1
188.07092	24.0
189.07361	1.9
191.05569	8.4
197.07112	1.6
197.15460	1.2
203.61125	1.4
210.07887	2.5
211.08719	4.6
223.12299	1.5
224.09483	2.3
224.12885	1.3
225.10226	5.8
226.11002	1.7
227.11823	5.6
235.08669	2.1
237.10405	2.0
238.07503	5.0
239.11996	2.5
239.26154	1.1
245.12918	4.2
249.10344	1.4
251.08199	3.6
251.11905	3.1
252.09018	3.5
253.09776	14.3
254.09793	1.3
265.09778	5.2
266.10562	1.2
267.11456	6.1
277.09872	4.8
279.07797	5.3
279.11288	2.0
280.08603	1.9
292.08582	2.0
293.09210	1.6
294.10123	4.6
295.10892	39.5
296.11185	4.0
307.10901	14.1
308.11444	1.6
313.11978	2.7
323.10309	3.4
331.11932	4.2
331.25031	2.5
332.12244	6.6
332.25107	1.2
339.09586	2.0
347.59827	1.1
355.10080	1.4
356.10651	1.8
356.25266	2.0
357.26273	1.9
369.35181	1.3
373.25992	1.4
374.26208	1.8
375.27570	8.1
418.18057	1.7
432.19348	4.1
460.18814	100.0
461.19101	13.8
475.29349	5.0
476.18179	2.7
476.29367	10.1
477.31171	2.7
494.30728	5.6
504.17773	84.6
505.18079	14.1
518.30560	1.5
535.31201	16.5
536.20135	12.8
536.31567	41.5
537.32806	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3125
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
52.91185	0.3
55.01746	0.8
57.03318	1.4
57.11130	0.3
58.00452	0.5
58.05442	0.3
59.01252	23.9
61.15504	0.4
69.03329	0.3
71.01256	11.1
71.38649	0.7
72.99175	0.9
73.02825	3.2
73.77084	0.3
81.84225	0.3
83.01271	2.0
83.04909	0.4
85.02826	4.8
85.99986	0.3
87.00767	1.1
89.02322	5.4
89.79382	0.3
95.01259	1.2
99.00761	1.0
101.01694	0.6
101.02325	8.1
109.02793	0.3
111.00748	0.5
113.02342	3.8
119.03389	1.5
123.07981	0.4
125.02374	0.5
125.09611	1.4
127.11174	0.6
135.04453	0.6
137.09668	0.5
141.09126	0.3
155.10655	0.5
161.04530	0.5
171.10181	4.6
173.04410	0.4
192.17133	0.3
199.13310	1.2
229.14452	0.4
309.24402	0.3
313.23499	0.4
327.21692	0.9
327.25375	0.4
331.24957	0.8
355.24869	2.8
373.25912	12.8
374.26163	0.9
392.20450	0.4
475.28922	1.8
493.30237	0.9
517.30194	1.6
535.31238	100.0
536.31628	14.0
536.38690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.9
57.03327	3.3
58.00474	0.6
59.01253	100.0
60.01588	0.5
67.01764	0.5
69.03333	1.2
71.01254	21.2
71.04909	1.2
72.99190	1.7
73.02821	8.3
75.00750	0.9
81.03341	0.6
81.07412	0.5
82.44479	0.5
83.01259	5.6
83.04902	6.0
85.02822	14.6
86.00002	0.9
87.00768	1.9
87.04453	0.8
89.02322	24.1
95.01289	1.9
95.04910	0.7
97.02852	1.6
98.19779	1.3
99.00763	3.0
99.04364	2.9
101.02328	15.0
109.02856	2.4
111.00770	3.1
112.01571	1.1
113.02322	9.6
115.03909	0.7
117.86314	0.5
119.03400	0.9
121.06497	1.2
123.04402	0.8
123.08070	1.7
124.01553	1.2
125.02365	1.7
125.05979	0.7
135.04457	2.1
137.02444	0.8
141.01881	0.8
143.03401	1.2
149.06067	0.7
150.03105	1.1
152.01100	0.9
153.01866	1.1
153.05505	0.9
159.02956	1.1
161.04517	3.9
161.05957	1.2
165.05508	1.3
171.13896	1.2
176.58984	0.5
179.07118	1.0
190.02727	0.8
209.15427	1.4
219.74461	0.5
233.08183	2.0
237.18593	1.9
239.20212	0.8
251.20233	0.8
255.13661	0.6
257.21390	0.9
287.22266	0.8
311.22379	0.6
313.23981	1.4
331.11850	2.4
331.24847	13.0
331.28650	0.8
332.25357	1.2
357.88052	0.5
373.26099	1.2
391.23627	1.0
427.27197	0.7
445.28329	1.5
447.26025	1.3
449.27637	0.7
457.28485	0.6
475.29123	68.0
476.29343	8.6
493.30185	28.5
494.30539	3.5
517.30298	4.9
535.18921	1.2
535.31238	11.3
536.31866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.8
57.03328	2.8
58.00456	1.8
59.01251	38.7
60.01563	0.7
69.03313	0.8
71.01254	19.3
72.99165	1.6
73.02818	8.0
78.95779	0.7
83.01253	3.5
85.02348	0.7
85.02825	8.5
87.00742	2.0
87.04359	2.5
89.02320	8.5
93.03333	0.6
95.01276	2.6
96.95886	2.1
97.02815	0.8
97.06488	0.7
98.19755	1.0
99.00738	1.4
99.04366	0.6
101.02323	13.8
108.02060	2.0
109.02838	2.7
109.06492	0.8
111.00746	0.9
113.02326	7.5
115.03881	0.6
119.03382	2.4
119.04943	0.7
121.02856	1.0
123.01888	0.9
123.04409	1.7
123.08018	0.6
129.01880	0.7
133.02786	0.6
135.04431	2.0
135.08034	0.6
138.06595	0.6
139.11176	1.1
143.03389	0.6
143.10651	0.6
152.01041	1.5
153.01768	1.1
153.09119	0.8
155.10672	3.6
161.02220	0.6
161.04462	1.9
165.02940	0.7
167.03400	2.1
169.12245	0.6
173.04465	1.0
175.03897	2.0
179.05569	0.6
187.04080	0.5
191.05606	1.4
209.11978	0.6
233.08156	1.2
269.13937	3.4
329.27032	0.7
331.24948	0.7
355.11945	0.8
355.24789	1.4
373.25940	8.7
374.26379	0.7
377.71182	0.5
430.85510	0.6
459.96127	0.5
475.29120	2.2
493.30276	0.7
517.30225	1.6
535.31262	100.0
536.31464	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99295	1.2
55.01754	1.3
57.03320	2.2
59.01253	100.0
69.03316	1.3
71.01257	30.8
71.35395	2.1
72.99184	1.6
73.02817	23.4
75.00717	1.6
78.95773	4.9
82.91138	1.2
83.01248	7.1
83.04899	1.7
85.02820	10.2
87.00753	3.0
89.02316	13.4
93.03337	2.1
95.01270	3.0
98.52174	1.2
99.00738	1.6
101.02321	21.1
109.02834	3.6
113.02340	13.0
119.03395	5.2
121.02802	1.4
121.39129	1.1
123.04437	2.0
125.02354	2.9
131.03363	2.5
135.04456	5.7
136.04767	1.6
137.02313	5.2
143.03404	3.7
149.02422	1.9
149.04491	2.0
152.01102	1.3
152.06969	1.2
153.05478	1.2
161.02325	2.0
161.04463	6.7
162.02690	1.5
171.10165	1.8
175.04001	1.3
175.53085	1.2
177.01752	1.3
179.05469	2.5
191.05563	3.5
200.75224	1.1
236.18263	1.2
257.04404	1.6
285.03809	2.6
286.04013	2.1
287.04547	2.7
308.48618	1.2
331.25021	1.9
359.15085	2.1
373.25821	3.7
415.23373	7.2
433.24112	2.8
460.18710	1.7
475.29816	5.7
493.29959	2.6
535.14655	1.9
535.18640	1.3
535.31592	32.8
536.31598	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61646	0.3
55.01757	1.4
57.03316	1.7
58.00467	5.7
59.01252	100.0
60.01587	1.1
61.98690	0.3
69.03332	0.4
69.27006	4.1
71.01254	68.7
72.01603	0.8
72.99181	7.1
73.02832	3.1
75.00768	0.6
78.88588	0.3
81.03342	0.4
82.43786	0.3
83.01249	3.2
84.02068	0.6
85.02824	14.1
86.03161	0.7
87.00748	4.4
89.02319	90.2
90.02663	1.6
93.03361	1.3
95.01263	4.3
96.95913	0.7
97.02827	0.5
99.00779	1.5
99.04416	0.4
101.02323	41.3
102.02669	0.6
109.02860	0.6
111.00816	0.9
113.02332	28.5
114.00571	0.4
114.02695	0.8
115.91963	0.5
116.92754	1.5
119.03391	38.7
120.03761	1.2
121.02846	0.5
125.02351	1.6
131.03389	4.2
135.04402	0.9
137.02335	0.6
143.03412	5.7
149.02534	0.4
149.04451	3.4
151.00267	0.6
161.02370	0.6
161.04457	7.1
165.01788	0.4
173.04462	1.2
175.02509	0.4
179.05537	12.4
180.05832	0.6
191.05551	3.6
221.08109	3.4
222.08594	0.5
269.04550	0.4
287.06015	0.4
300.02957	0.6
301.03442	0.4
311.09213	0.4
355.21307	0.9
373.22379	1.1
383.13577	0.5
429.15860	0.4
493.23102	0.7
535.14453	1.5
535.27649	37.6
536.27911	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.5
58.00461	1.8
59.01252	100.0
67.01773	2.7
69.03311	2.6
69.53490	4.9
69.53912	8.7
71.01263	36.7
71.04897	2.5
72.99173	4.6
73.02826	15.7
75.00748	3.2
78.95778	13.9
82.95293	20.3
83.01262	6.3
83.02382	52.4
83.04879	2.5
84.01919	3.6
85.02826	20.2
87.00752	7.4
89.01070	1.8
89.02319	31.3
90.98418	2.1
93.03350	10.2
95.01272	5.6
95.04868	2.4
96.96838	7.7
97.02840	2.4
99.00755	2.9
99.04411	2.3
101.02328	27.9
108.02106	3.4
109.02859	4.3
110.89562	2.0
111.00743	2.3
111.04474	2.4
113.02332	26.0
118.98020	3.8
119.03400	11.6
121.02842	8.7
123.04412	5.6
124.01521	2.1
125.02333	4.0
131.03294	2.4
133.04941	4.0
135.04427	8.4
135.98280	4.9
137.02348	11.1
139.03931	10.7
141.01877	1.8
143.03406	3.9
147.04424	3.9
149.02345	4.6
151.00253	2.2
151.03958	2.8
152.01039	3.6
153.01863	3.0
155.03445	2.3
155.48376	1.8
159.03004	2.1
159.04369	2.5
161.02405	2.6
161.04472	6.0
161.06007	2.5
163.00340	1.9
163.03896	3.0
173.04492	7.6
175.07631	2.0
176.01065	3.5
177.01883	2.3
177.05467	2.2
179.03409	3.5
179.05542	4.9
190.02707	3.8
191.03613	3.3
191.05531	18.0
192.05692	1.8
197.04448	2.2
205.05048	3.2
242.33698	1.5
267.06549	3.0
271.02524	2.6
285.07617	2.6
300.02737	2.7
301.03534	2.0
329.13882	5.6
353.08780	2.6
361.18661	3.0
373.13309	2.2
415.23495	11.7
433.24091	2.3
451.32678	1.9
463.08871	2.3
475.21616	3.3
493.22565	4.2
535.14624	3.5
535.27740	20.6
536.10498	4.1
536.27893	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03308	3.5
58.00460	1.9
59.01251	100.0
60.01584	1.3
60.51057	0.9
61.98709	1.8
65.03836	8.1
67.01765	14.6
69.03332	2.4
69.30318	9.2
71.01255	27.8
71.04909	1.3
72.01572	0.8
72.99187	2.5
73.02822	17.1
74.02348	5.5
75.00745	5.8
78.95756	1.0
81.03331	2.7
83.01252	7.7
85.02823	15.2
87.00761	3.2
88.74724	0.9
89.02313	8.2
91.01741	1.6
91.05412	11.9
93.03323	5.4
95.01263	3.5
97.02816	1.4
99.00734	3.6
99.04391	13.2
101.01691	1.6
101.02325	23.5
105.66889	0.8
107.04890	3.0
108.02029	1.7
109.02837	74.9
110.03175	2.0
111.00758	2.5
113.02329	14.5
119.03381	3.3
121.02850	9.2
122.03632	2.4
123.00742	1.3
123.04435	7.5
124.01575	6.8
125.02343	5.6
131.03375	1.5
131.04958	2.3
131.08577	1.7
133.02846	3.8
133.06525	1.2
135.04417	98.5
136.04787	5.8
137.02345	4.6
139.03877	0.9
143.03383	1.4
147.04427	4.0
148.05186	2.6
149.02292	2.5
149.05983	2.8
150.03146	8.9
151.03920	31.0
152.04256	1.2
153.00652	1.3
153.01837	19.9
153.05484	17.2
157.06554	1.1
159.04414	2.7
160.05153	1.5
161.02385	5.6
161.04439	3.9
161.05952	3.7
163.03873	2.3
163.07516	2.8
165.05489	1.5
173.04539	1.9
173.06013	4.3
175.03932	8.2
175.07552	22.7
177.05502	6.1
179.03470	4.1
181.41745	0.9
183.07996	1.4
191.05605	5.0
193.08638	5.9
195.06627	1.2
197.04417	2.4
199.03993	1.1
199.07593	1.3
202.04965	1.0
203.03406	1.3
203.07048	2.3
205.01357	2.0
211.03935	14.9
212.04462	1.8
215.07005	2.6
219.02876	1.1
219.06503	1.3
225.05522	20.6
226.05774	1.8
227.07092	37.6
228.07384	3.4
233.11789	1.3
245.08133	1.2
253.08600	1.4
271.06119	60.0
272.06387	4.2
287.22275	8.3
290.37363	1.0
293.08344	1.4
301.23804	1.4
313.10831	19.4
313.23880	2.2
314.11154	2.9
315.12347	2.8
337.10910	1.3
339.08524	1.8
351.09024	0.9
355.12317	0.8
355.15500	6.9
356.15619	1.1
363.08664	3.6
364.09314	1.1
373.16360	2.0
373.25952	6.1
375.24228	1.2
381.09769	43.1
382.10034	6.3
407.11499	1.2
415.26825	1.4
425.12494	2.4
431.26581	5.6
439.27057	1.3
445.28003	5.0
449.27576	11.9
450.27744	1.7
457.28268	4.4
463.28970	3.5
475.15851	2.2
475.28940	7.1
487.29343	1.5
491.28632	30.0
491.35892	1.4
492.28812	3.6
493.17178	4.0
493.30255	2.8
504.17728	1.0
517.14508	6.7
517.21704	1.6
518.15015	1.2
535.16486	22.1
535.30658	10.4
536.17841	3.3
536.31830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63870	0.3
57.03324	0.6
59.01253	27.4
65.03848	1.6
67.01781	0.5
69.03319	0.4
70.24641	0.9
70.25060	0.5
71.01263	5.6
72.99167	0.4
73.02823	2.2
75.50439	0.3
79.93324	0.3
83.01267	1.6
83.04905	0.5
85.02840	3.3
85.08892	0.3
85.44504	0.3
87.00757	0.6
87.04385	0.7
89.02302	2.4
91.05412	12.8
92.05733	0.7
93.03336	3.1
95.01250	0.4
99.00751	0.9
101.02334	4.1
107.04901	0.8
109.02838	15.7
110.03202	0.4
111.00757	0.6
113.02322	2.2
114.16997	0.3
121.02850	7.2
122.03638	0.4
123.04477	0.4
125.02324	0.6
133.02820	0.4
135.04419	100.0
136.04774	4.6
137.02374	0.4
137.05965	1.5
143.03378	0.6
147.04422	1.4
148.05211	5.9
149.05801	0.4
151.03891	1.0
159.02992	0.4
159.04398	1.4
161.04454	1.0
161.06003	1.0
163.07564	10.3
165.05449	0.4
177.05479	0.6
179.60930	0.3
191.05539	1.5
200.53426	0.3
207.10350	0.5
214.51422	0.3
215.10771	0.6
225.11234	1.1
233.11787	3.0
251.12866	16.1
252.13242	1.3
257.21115	0.5
257.59537	0.4
313.23853	0.7
331.11884	0.6
331.24893	1.1
355.15509	0.3
373.16553	53.3
374.16861	7.1
391.23181	0.6
401.25638	1.9
419.26620	2.6
420.26764	0.4
439.27103	1.5
443.26160	0.4
457.28079	2.3
475.29105	5.8
493.30267	2.6
535.21826	5.9
535.31067	5.7
536.22699	0.7
536.31561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03321	0.8
59.01253	27.8
60.01605	0.4
65.03834	2.2
67.01770	0.8
70.24465	1.1
71.01255	5.4
72.99168	0.6
73.02824	1.9
83.01264	1.5
83.04916	0.7
85.02835	3.8
87.00766	0.6
87.04391	0.7
89.02323	2.3
91.05411	12.5
92.05737	0.4
93.03349	2.9
95.01257	0.9
97.02847	0.5
99.00732	0.9
101.02327	4.8
103.30911	0.3
107.04892	0.5
109.02842	15.8
110.03173	0.3
111.00747	0.7
113.02332	2.8
113.06024	0.4
119.03393	0.5
121.02834	6.9
122.03634	0.5
123.04404	0.3
124.01616	0.4
125.02296	0.5
133.02847	0.4
134.03645	0.3
135.04417	100.0
136.04759	3.9
137.02354	0.7
137.06018	1.1
147.04445	2.0
147.05411	0.3
148.05203	5.6
149.05925	0.9
151.03888	0.7
159.03101	0.3
159.04448	1.9
160.05199	0.4
161.04483	1.1
161.05972	0.6
163.07556	9.9
164.07919	0.6
165.05482	0.6
173.04506	0.5
175.07652	0.3
177.05482	0.4
191.05530	1.0
200.68987	0.3
207.10190	0.3
215.10687	0.8
218.05246	0.3
225.11356	1.6
233.11803	2.9
251.12874	15.4
252.13263	1.1
257.21194	0.4
276.79218	0.3
331.11926	0.8
331.24890	1.0
373.16556	55.6
374.16870	5.7
401.25470	2.3
405.25287	0.3
419.26465	2.9
439.27206	1.2
443.26907	0.4
457.28226	2.0
461.27661	0.3
475.29083	6.1
493.30130	2.5
500.36002	0.3
517.30164	0.5
535.21869	6.0
535.31189	5.4
536.22308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95553	3.2
55.01758	3.5
57.03307	4.0
58.57640	2.8
59.01254	100.0
61.92399	3.1
62.20256	2.9
62.52341	2.8
63.37606	3.1
64.43937	2.9
67.72322	3.2
69.62213	13.6
69.62617	6.2
71.01258	33.2
72.99184	3.2
73.02826	11.3
73.85507	2.7
78.95787	8.6
79.72913	3.3
83.01251	4.1
85.02844	10.6
86.80153	2.9
87.00794	3.6
89.02322	29.5
89.69495	2.6
99.00785	11.5
101.02318	27.1
107.97157	3.4
108.02043	3.8
109.02835	9.4
113.02346	14.7
115.22040	2.8
119.03393	13.8
121.02836	6.0
131.03369	3.5
135.04427	30.8
140.37645	2.8
142.10199	3.0
151.00272	17.0
152.01025	4.9
161.04463	4.2
173.04451	5.9
179.03384	3.5
179.05550	3.8
179.14349	4.5
191.05515	10.0
195.06517	3.0
207.13896	18.0
251.12843	7.6
283.99985	3.1
287.05554	12.3
313.11111	3.1
331.11902	7.6
338.78275	2.8
373.12296	3.6
382.68979	3.3
420.51694	3.7
462.52014	4.2
491.11157	3.5
493.23215	6.3
535.14771	7.9
535.24219	32.0
536.24902	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
55.97838	1.1
57.03312	1.6
59.01253	82.1
61.98711	1.3
65.03829	2.4
67.01737	1.8
69.03324	1.8
69.27615	13.6
71.01252	34.4
72.01604	2.0
72.05697	1.0
72.99162	2.6
73.02822	43.0
74.02335	1.5
74.03182	1.4
75.00731	3.2
77.21575	1.0
80.91554	2.9
81.03316	3.7
83.01262	12.4
85.02824	5.5
87.00735	1.6
89.02322	8.0
91.05399	5.0
93.03333	3.7
95.01231	2.1
97.02822	2.0
98.20675	2.1
99.04412	5.4
101.02327	35.4
102.02685	1.8
106.88080	1.4
108.02029	2.4
109.02838	22.3
111.00788	1.4
113.02325	8.1
119.03382	2.7
119.04884	1.7
121.02850	4.7
123.00771	2.5
123.04407	14.3
124.01559	21.0
125.02351	10.8
131.03371	2.2
133.02831	2.6
135.04425	33.4
136.01553	1.7
136.04750	1.9
137.02359	11.1
143.03387	2.0
147.04404	4.0
149.02373	5.5
149.04457	1.8
150.03154	18.2
151.03918	100.0
152.04245	4.6
153.05508	1.5
159.04399	1.6
161.02400	1.6
161.04486	5.4
161.05936	2.7
162.03075	1.2
163.03975	2.7
173.04472	2.6
175.07535	2.0
191.05511	3.4
203.07080	1.5
225.05577	1.4
227.07182	2.8
271.06210	3.3
281.08347	2.5
293.24030	1.2
295.09604	1.7
313.10812	38.7
313.23822	1.5
314.11270	3.2
315.51706	1.4
381.09830	3.8
423.07111	1.3
457.27948	2.0
463.28885	1.7
475.16156	1.5
475.28741	5.4
491.28619	2.2
493.17145	10.9
493.30225	1.6
494.17078	1.3
535.18109	53.2
535.31165	5.2
536.18378	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07664	0.7
57.03313	1.6
59.01252	50.6
65.03806	2.1
67.01736	0.8
69.03318	1.2
69.49492	0.8
70.29716	0.7
71.01254	11.9
72.99170	1.2
73.02818	9.7
74.03218	0.8
75.00765	0.9
81.03380	1.1
83.01268	3.0
83.04904	2.6
84.14411	0.7
85.02833	6.8
87.00764	1.4
89.02316	8.3
91.05426	3.6
93.03305	1.2
95.01247	0.9
95.04901	0.9
97.02798	0.9
98.20659	1.6
99.00742	1.9
99.04398	0.9
101.02330	9.4
103.96431	0.6
107.04860	1.3
108.02054	1.7
109.02841	23.4
111.00765	1.4
113.02345	4.8
113.05962	1.7
119.03458	0.9
121.02855	10.4
122.03633	1.1
123.04402	8.4
124.01543	6.8
125.02348	15.1
133.02858	1.4
135.04422	39.7
136.04767	2.0
137.02353	12.0
137.05991	1.6
138.03160	1.6
145.02887	1.1
147.04391	5.2
148.05197	2.7
149.02313	5.1
149.06006	2.8
150.03145	11.9
151.03920	100.0
152.04294	2.8
159.02884	1.1
159.04382	1.0
160.05229	2.0
161.02353	1.2
161.04472	2.3
161.05910	1.2
163.03920	4.9
163.07605	3.4
164.04729	3.6
165.05479	2.3
167.03392	2.0
167.07057	3.3
168.04105	1.3
175.07565	3.6
176.04745	2.7
177.05530	1.8
179.07062	2.1
180.04228	1.6
183.06541	2.7
191.05531	1.8
191.07146	3.8
193.05032	1.2
193.08643	10.5
194.05740	2.4
195.06561	12.1
199.16843	1.0
209.08150	7.1
221.08258	4.5
229.18280	0.8
229.94809	1.1
234.28398	0.7
239.20267	1.6
268.07440	0.8
269.08527	0.9
299.09384	1.3
301.10931	1.5
313.10931	6.4
313.23849	1.2
314.11395	0.9
329.08871	1.6
330.10834	1.3
331.11874	83.7
331.24948	3.3
332.12204	7.1
355.10345	6.5
355.24875	0.9
401.25635	2.1
419.26620	2.6
422.29483	0.7
439.27026	2.0
457.28125	2.4
475.29129	18.3
493.30188	10.3
517.30243	1.3
534.29828	0.9
535.18286	8.1
535.31140	11.9
536.18329	1.3
536.31696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49651	1.0
57.03315	2.7
59.01254	84.0
65.00209	3.2
69.03328	1.4
71.01258	23.5
72.99194	2.7
73.02824	22.9
75.00743	2.6
83.01266	7.3
83.04877	1.1
83.66299	0.9
85.02829	2.2
87.00768	1.4
89.02332	5.6
93.03349	2.5
95.01240	2.5
96.96803	1.0
98.19662	2.2
99.00787	1.5
99.04403	7.3
101.02328	17.0
107.01311	1.6
108.02069	2.3
109.02834	8.5
109.99979	1.6
111.00775	4.1
113.02332	5.6
113.07879	1.0
115.00267	0.9
118.97998	3.0
119.03385	2.3
121.02841	2.4
123.00764	2.6
123.04430	1.3
125.02368	1.9
131.76712	1.1
133.02856	2.0
135.00777	1.6
135.04402	4.2
136.98727	2.2
137.02278	1.6
137.99535	4.8
139.00293	8.0
145.02881	1.8
146.03627	1.4
147.00790	2.1
147.04413	4.5
149.02278	1.3
149.04471	1.1
149.99495	0.9
151.00255	9.0
152.01025	2.1
153.01859	9.6
154.99739	1.1
159.04411	2.7
160.05167	1.4
161.02362	3.4
161.04482	2.0
163.00232	1.2
163.03934	1.7
163.07556	1.4
164.01175	1.1
164.98276	2.9
165.01738	1.4
165.12776	4.5
165.98973	3.0
166.99860	2.3
169.01405	1.8
173.02359	1.2
173.04483	1.6
173.05872	1.0
174.03102	1.1
175.00301	1.9
175.03932	2.0
175.07581	2.0
177.01828	1.9
178.99814	8.2
179.03418	1.0
185.02380	1.3
187.03897	2.7
189.01945	2.6
189.12717	1.4
190.02513	1.1
190.99809	1.5
191.03618	1.3
191.05516	2.7
193.01340	3.1
193.05031	1.1
194.99272	2.5
201.01849	3.9
202.02631	1.4
203.03502	2.5
205.01405	2.3
207.13817	9.1
209.11774	19.7
213.01854	1.6
215.03415	1.5
217.01378	2.4
225.14912	11.1
227.03433	2.0
227.27983	1.2
229.01407	3.4
230.02216	1.5
230.07094	1.4
231.02985	2.5
233.00752	1.9
237.07721	1.2
241.01506	1.3
243.02992	3.0
246.01628	2.0
247.02525	1.6
251.12918	4.2
256.03772	1.4
257.00870	3.8
257.04672	1.4
258.01617	1.2
259.02399	3.8
267.02924	1.2
269.00958	1.7
269.13956	100.0
270.14310	7.4
271.02576	2.3
274.00885	1.3
275.02063	2.4
283.09543	1.6
285.00439	5.0
285.03934	1.5
286.01169	2.0
287.01953	7.0
299.02072	2.2
300.02774	1.3
301.03647	4.9
302.00781	2.5
303.01459	15.0
304.01721	1.6
311.01834	2.4
312.99884	10.9
313.03256	2.3
314.00421	2.6
315.01355	2.2
317.03067	4.5
329.03088	1.3
329.13864	6.3
330.00137	2.0
330.03802	1.8
331.00986	12.5
331.04575	1.3
332.01514	2.0
355.00961	5.2
373.13074	1.1
391.55054	1.0
435.07190	1.4
449.20502	1.4
491.08148	3.1
491.14609	1.9
491.21326	26.0
492.21616	4.6
493.22757	1.2
507.07639	1.3
535.06287	6.2
535.14728	3.3
535.26508	1.2
536.08130	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07664	0.7
57.03313	1.6
59.01252	50.6
65.03806	2.1
67.01736	0.8
69.03318	1.2
69.49492	0.8
70.29716	0.7
71.01254	11.9
72.99170	1.2
73.02818	9.7
74.03218	0.8
75.00765	0.9
81.03380	1.1
83.01268	3.0
83.04904	2.6
84.14411	0.7
85.02833	6.8
87.00764	1.4
89.02316	8.3
91.05426	3.6
93.03305	1.2
95.01247	0.9
95.04901	0.9
97.02798	0.9
98.20659	1.6
99.00742	1.9
99.04398	0.9
101.02330	9.4
103.96431	0.6
107.04860	1.3
108.02054	1.7
109.02841	23.4
111.00765	1.4
113.02345	4.8
113.05962	1.7
119.03458	0.9
121.02855	10.4
122.03633	1.1
123.04402	8.4
124.01543	6.8
125.02348	15.1
133.02858	1.4
135.04422	39.7
136.04767	2.0
137.02353	12.0
137.05991	1.6
138.03160	1.6
145.02887	1.1
147.04391	5.2
148.05197	2.7
149.02313	5.1
149.06006	2.8
150.03145	11.9
151.03920	100.0
152.04294	2.8
159.02884	1.1
159.04382	1.0
160.05229	2.0
161.02353	1.2
161.04472	2.3
161.05910	1.2
163.03920	4.9
163.07605	3.4
164.04729	3.6
165.05479	2.3
167.03392	2.0
167.07057	3.3
168.04105	1.3
175.07565	3.6
176.04745	2.7
177.05530	1.8
179.07062	2.1
180.04228	1.6
183.06541	2.7
191.05531	1.8
191.07146	3.8
193.05032	1.2
193.08643	10.5
194.05740	2.4
195.06561	12.1
199.16843	1.0
209.08150	7.1
221.08258	4.5
229.18280	0.8
229.94809	1.1
234.28398	0.7
239.20267	1.6
268.07440	0.8
269.08527	0.9
299.09384	1.3
301.10931	1.5
313.10931	6.4
313.23849	1.2
314.11395	0.9
329.08871	1.6
330.10834	1.3
331.11874	83.7
331.24948	3.3
332.12204	7.1
355.10345	6.5
355.24875	0.9
401.25635	2.1
419.26620	2.6
422.29483	0.7
439.27026	2.0
457.28125	2.4
475.29129	18.3
493.30188	10.3
517.30243	1.3
534.29828	0.9
535.18286	8.1
535.31140	11.9
536.18329	1.3
536.31696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.03333	1.8
58.00477	0.7
59.01252	81.7
60.01583	0.8
61.98704	1.1
65.03841	3.9
67.01763	6.7
69.03317	1.2
69.44958	2.9
69.45380	1.7
71.01256	20.5
71.04939	0.8
72.99193	1.5
73.02815	8.2
75.00741	2.5
78.95766	0.6
79.05423	0.6
83.01276	4.5
83.04905	1.5
85.02821	10.6
85.03288	0.9
85.99992	0.6
87.00757	3.3
87.04386	1.6
89.02319	7.3
91.05411	13.6
93.03353	3.5
95.01261	2.1
97.02847	1.1
99.00766	2.6
99.04392	1.5
101.02328	13.7
107.04922	1.3
108.02054	1.1
109.02840	24.1
110.03177	0.6
111.00752	3.0
113.02321	7.9
115.03944	0.6
119.03398	1.2
119.04906	1.0
121.02838	7.1
122.03652	0.6
123.04410	2.8
124.01591	1.2
125.02339	2.6
133.02835	1.7
133.06529	0.7
134.03635	1.0
135.04416	100.0
136.04764	5.2
137.02322	1.7
137.06006	1.6
143.03380	1.6
147.04419	3.7
148.05222	6.4
149.02272	0.9
149.05992	2.7
150.03102	0.8
151.03943	2.1
153.01846	14.8
153.05463	9.9
159.03076	1.1
159.04427	3.5
160.05040	0.7
161.02339	5.3
161.04456	3.7
161.05980	2.5
163.03908	1.1
163.07561	10.4
163.08920	0.8
165.05475	1.2
169.73302	0.5
171.10191	0.7
173.04475	1.5
173.06021	3.4
175.03922	4.8
175.07535	5.1
177.05473	3.9
179.03400	3.1
183.08022	0.6
191.05489	2.7
193.08658	0.9
195.06534	1.5
199.07477	0.9
203.07051	1.1
205.01361	3.8
211.03966	4.9
212.04411	0.6
213.18529	0.7
215.07028	1.8
217.05060	0.8
219.03012	1.5
219.06332	0.7
225.05537	5.8
226.05936	0.8
227.07111	14.9
228.07455	1.4
233.11716	2.9
237.26955	0.6
239.20073	0.7
243.19646	0.6
251.12871	13.9
252.13094	1.0
253.08601	0.6
257.21365	0.6
269.04398	0.7
271.06116	25.3
272.06403	2.3
285.20718	0.7
293.08228	0.9
293.21124	0.7
307.09677	0.9
313.10983	1.1
313.23880	2.4
315.12625	0.7
331.24902	7.3
337.10617	1.2
339.08710	0.7
353.23526	0.6
355.08148	0.8
355.25037	0.8
363.08524	1.1
363.12476	0.7
373.16550	22.0
373.25836	3.1
374.16870	2.7
381.09790	31.0
382.10153	3.2
391.23441	1.3
401.25525	4.4
405.24893	0.7
419.26556	5.7
425.12131	1.5
431.25952	0.7
439.26828	3.7
443.26727	0.7
445.27338	0.8
457.28036	4.5
475.28879	21.8
476.29050	1.4
493.30020	10.8
494.30591	0.6
499.15622	2.2
517.14948	4.3
517.30109	1.7
518.14801	0.7
534.29785	1.2
535.15656	7.0
535.21851	13.3
535.31042	40.0
536.16138	2.2
536.23077	0.8
536.31494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47569	0.3
59.01248	1.1
60.61116	0.3
63.93906	0.4
65.00202	0.6
65.03840	8.8
67.01759	17.8
67.60910	0.4
69.39224	4.0
77.03837	0.6
79.04984	0.5
79.05419	1.5
91.01772	1.2
91.05410	13.5
93.03332	1.8
98.20541	0.8
105.03358	0.6
107.04897	3.6
108.02020	0.4
109.02837	37.4
110.03196	1.4
111.00773	2.1
115.89796	0.4
117.03370	1.8
118.24274	0.4
119.04929	1.4
121.02060	0.7
121.02850	6.5
121.06494	0.5
123.04409	6.5
129.07007	0.5
131.04932	1.9
131.08531	0.7
133.02853	3.2
133.06480	1.1
135.04417	100.0
136.04738	3.7
138.28281	0.4
147.04428	2.6
149.05981	0.6
152.96022	0.4
153.00874	0.4
153.01846	23.4
153.05479	23.9
154.02200	1.1
154.05821	1.1
155.08563	1.0
157.06558	0.6
158.03700	0.5
159.04422	3.1
161.02351	9.9
161.05913	0.9
162.02751	0.5
163.03958	0.7
165.01828	1.0
165.05464	0.5
171.08080	0.4
172.05199	0.6
173.05997	6.5
174.06354	0.5
175.03937	10.0
175.07562	9.7
176.04370	0.7
176.07961	0.6
177.05507	7.8
178.05847	0.6
179.03403	5.4
180.03677	0.5
183.08141	2.8
185.06039	0.8
195.06511	1.7
197.04486	1.8
199.03932	0.6
199.07578	1.8
201.05548	0.7
201.09146	1.0
203.03488	0.8
203.07039	1.9
205.01390	3.3
209.05981	0.8
211.03957	18.7
212.04437	1.3
215.07057	3.7
217.04991	2.4
219.02924	2.2
219.06522	2.3
221.08089	1.0
225.05524	28.7
226.05945	2.7
227.07092	49.6
228.07465	3.5
241.08549	0.6
245.04483	0.7
245.08192	1.6
253.08630	1.0
269.04538	1.1
271.06119	85.2
272.06439	8.0
272.09406	0.4
273.09027	0.5
279.06549	0.5
283.69501	0.4
293.08200	1.3
307.09686	0.6
319.09879	0.9
333.11539	0.4
337.07104	0.5
337.10834	1.5
339.08679	1.4
345.11588	0.9
355.08176	1.1
363.08661	6.6
363.12476	0.5
364.08881	0.7
381.09784	68.3
382.10132	8.4
407.11334	1.4
425.12363	3.0
426.12900	0.6
446.25317	0.4
499.13617	0.6
517.14978	8.0
518.15216	1.9
535.16071	17.0
536.16412	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73900	0.1
55.01762	0.3
57.03327	0.3
59.01252	14.8
60.01575	0.4
62.72310	0.1
69.31559	1.4
71.01256	3.3
72.00781	2.5
73.02821	1.5
74.02345	100.0
75.00760	0.3
75.02045	0.2
75.02676	0.8
83.01235	0.8
85.02827	1.9
87.00768	0.4
89.02309	0.6
93.03347	0.3
95.01270	0.4
97.02853	0.1
98.47105	0.1
99.00765	0.4
99.32759	0.1
101.02323	2.9
103.83889	0.1
109.02846	0.9
111.00764	0.2
113.02321	1.4
116.03402	0.2
119.03389	0.1
129.01845	0.1
135.04424	1.5
136.04791	0.2
137.02397	0.1
143.03389	0.3
150.05482	0.3
151.03900	0.2
157.02130	0.1
157.66315	0.1
159.02991	0.2
161.04482	0.4
166.95081	0.1
173.04520	0.1
179.03453	0.2
183.64888	0.1
191.05553	0.3
192.06554	0.2
245.41817	0.1
327.06015	0.2
330.23572	0.3
331.11887	0.2
354.13351	0.2
372.15567	0.3
373.16318	0.2
417.28592	0.7
457.27780	0.2
474.30945	0.7
475.29086	0.5
491.28699	0.3
492.31952	1.8
493.30701	0.3
516.31940	1.1
534.32843	68.3
535.33136	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70793	0.8
57.03305	1.1
58.82021	1.1
59.01256	33.5
60.18078	0.8
60.88937	0.9
61.98699	1.4
65.03841	4.9
67.01766	12.3
68.54952	1.0
71.01260	8.7
73.02820	2.6
78.95780	2.7
79.05420	2.1
80.91563	4.4
83.01258	2.0
85.02839	5.5
87.00767	1.1
88.21499	1.0
89.02314	3.7
91.05408	9.1
93.03346	4.0
96.95876	1.1
97.02834	1.9
99.00786	1.7
99.04399	1.2
101.02330	5.2
107.04933	1.4
108.02023	1.6
109.02841	40.7
110.03169	1.8
113.02312	2.8
117.03307	1.2
119.03371	1.3
121.02837	5.1
123.04412	27.0
125.02296	2.3
127.03883	0.9
133.02837	2.7
134.03635	2.5
135.04422	100.0
136.03812	1.0
136.04726	4.3
137.02379	4.3
139.03891	3.9
147.04410	3.6
149.02353	1.4
149.06013	10.5
150.03130	1.1
151.03928	17.0
152.99516	1.0
153.01831	3.3
153.05482	26.3
154.05862	1.1
159.04434	3.1
161.02342	6.0
161.04735	1.1
161.05995	6.3
163.07634	1.5
165.01852	1.0
165.05467	2.5
167.03406	8.9
173.04465	2.3
173.05978	2.8
175.03929	3.5
175.07587	5.8
177.05522	4.3
179.03416	2.2
183.08133	2.4
187.07585	1.4
191.05600	6.9
191.07185	1.4
193.08591	6.7
198.03029	1.6
199.03902	1.7
199.07567	1.4
201.09125	8.0
203.06979	1.6
205.01364	3.2
205.08609	3.9
211.03905	7.0
215.07062	3.2
219.10243	4.9
221.08084	1.3
225.05524	9.6
226.06000	1.1
227.07114	21.4
239.19943	1.1
245.08067	1.5
257.08197	7.3
271.06140	35.0
272.06433	2.8
299.16171	0.9
331.11938	5.9
337.10812	1.7
348.96619	1.0
355.10394	1.8
355.15436	6.0
367.11771	2.8
373.25818	3.0
381.09805	87.7
382.10135	10.5
385.14859	2.5
399.16595	1.0
425.12503	13.9
426.12549	2.1
475.28494	4.4
481.92627	0.9
493.30069	1.3
534.33557	1.1
535.15131	15.7
535.22253	6.1
535.32770	2.0
536.15747	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85193	2.2
57.03310	3.9
59.01254	9.0
59.45666	2.7
65.38326	2.2
67.01768	2.4
69.03329	12.7
71.04882	4.0
71.13261	2.7
71.13576	4.0
73.54411	2.4
78.95782	24.9
85.22221	2.2
97.06455	3.2
123.08055	4.3
125.09606	7.2
139.11226	2.8
149.09753	2.4
151.11185	8.7
152.99478	30.8
153.12738	4.1
161.09634	23.1
179.10684	61.3
180.11143	4.1
196.89403	8.7
197.11763	79.5
198.12059	5.1
199.13382	3.9
223.09669	6.0
241.10770	100.0
242.11107	7.4
249.61266	2.3
257.38416	2.0
291.19614	10.8
305.24832	3.8
309.20645	27.0
310.20917	3.7
347.25790	3.5
365.26923	22.0
533.30786	32.3
534.31140	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.4
57.03326	2.7
58.00460	1.5
59.01251	65.5
60.01601	0.9
61.98699	0.9
67.01762	0.5
69.03340	1.1
70.22407	0.5
71.01253	21.9
71.04910	0.5
71.38556	0.6
72.01588	0.7
72.99189	2.0
73.02821	9.4
83.01260	4.7
83.04902	0.8
85.02821	11.4
87.00758	2.8
87.04360	0.7
89.02315	10.0
93.03317	2.6
95.00726	0.4
95.01258	2.6
95.04874	0.6
97.02835	1.2
97.06499	0.6
98.00954	0.5
99.00753	2.4
99.04409	1.9
101.02321	15.6
108.02055	0.6
109.02842	4.2
111.00758	1.4
111.08020	0.6
113.02331	9.2
115.07479	0.6
115.82327	0.4
119.03427	2.1
119.04926	1.3
121.02848	3.0
123.04399	0.7
123.08035	0.6
125.02321	0.8
125.09612	0.8
127.11154	1.0
131.03426	0.6
133.02853	0.7
133.06529	0.5
135.04401	4.6
135.07962	0.5
137.02345	1.9
137.05997	0.6
141.09142	3.4
143.03389	1.3
147.04416	0.8
151.00212	0.5
152.00995	0.6
155.03450	0.4
155.10681	1.3
161.02353	1.8
161.04472	2.0
161.05914	0.9
163.03880	2.3
171.10239	0.9
173.04488	2.0
177.05626	0.6
179.03401	0.6
180.06667	0.5
183.13823	0.5
189.09157	1.0
191.05540	3.7
207.10243	0.5
237.18584	0.9
253.04993	0.6
255.02936	1.3
256.03149	0.4
257.04532	0.4
259.19205	0.6
284.03351	1.6
285.03836	2.3
311.12900	0.7
311.22137	0.8
325.10867	1.0
327.25235	0.7
329.23297	1.2
353.14233	0.7
353.18634	1.1
353.23337	1.4
371.14856	1.5
371.24390	3.8
372.24368	0.6
387.20242	0.8
392.20303	1.2
405.21198	1.2
413.21686	0.7
437.25256	0.7
455.26508	1.9
473.27707	7.9
474.28082	1.0
489.10715	0.8
489.30954	0.5
491.28693	4.6
492.28644	0.8
515.28870	1.3
533.29675	100.0
534.29993	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	7.8
57.03323	7.5
58.00449	3.3
59.01252	82.3
59.10377	0.9
62.85638	1.1
65.87944	1.0
69.03333	2.0
69.10674	1.0
69.36957	10.8
71.01254	100.0
72.01555	1.3
72.99171	4.5
73.02818	26.1
75.00723	1.4
78.95775	1.3
81.03296	0.9
83.01256	17.4
85.02822	49.5
87.00742	6.8
89.02320	34.8
95.01250	8.4
97.02821	4.0
98.20605	1.9
99.00739	13.4
101.02323	83.1
102.02643	1.4
107.49828	1.0
109.02792	1.4
111.00751	1.8
112.01548	1.1
113.02329	50.8
119.02582	1.3
119.03394	15.6
120.99512	2.1
125.02348	5.1
128.59647	1.0
129.01834	2.2
131.03383	3.1
135.04399	3.6
137.02325	1.1
143.03429	6.8
149.02382	1.3
149.04459	2.0
159.02921	7.9
161.04460	43.8
165.12556	1.2
173.04541	1.4
179.05566	6.5
191.05496	2.5
200.07593	1.0
205.03391	1.5
209.15331	6.8
214.06677	1.1
221.06575	4.3
236.44916	1.1
256.03931	1.0
285.03677	1.1
298.08380	4.1
309.57574	1.0
329.10394	1.3
359.15057	1.5
370.06873	2.6
371.20737	90.0
372.21088	10.4
411.43365	1.1
431.22858	1.2
465.87402	1.0
472.14658	1.1
473.27408	1.1
533.13977	7.8
533.25964	82.6
534.26294	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00394	0.4
59.01258	3.5
60.65514	0.4
61.60911	0.4
69.82938	0.8
69.83350	1.9
71.01246	0.5
78.95777	10.6
79.20650	0.4
83.04894	0.6
83.53448	0.4
85.06469	1.2
89.82585	0.5
93.03334	0.5
95.04900	0.8
109.06471	1.1
110.98414	7.4
152.99467	1.2
154.98907	0.5
155.14264	0.4
158.88281	0.5
163.11186	0.4
165.12723	0.8
167.01093	3.1
170.27708	0.4
171.00578	0.7
181.12263	0.9
185.02161	5.3
191.05588	0.8
199.11462	0.7
199.13341	14.9
200.13669	0.9
207.10236	1.6
217.00238	0.7
225.11296	1.5
251.20117	0.6
261.18500	0.6
279.19641	10.8
280.20065	0.8
289.18112	1.8
303.27200	0.4
307.19141	2.2
347.25916	7.5
348.26447	0.8
363.25446	1.0
365.26956	100.0
366.27292	13.0
391.17975	4.9
392.18307	0.5
476.27887	1.8
533.20459	0.6
533.28717	13.4
534.29053	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21672	0.6
55.01761	0.8
57.03310	1.7
58.00469	5.4
59.01249	100.0
60.01592	0.9
60.23985	0.6
69.48704	5.0
71.01252	67.7
72.01575	0.7
72.99182	4.9
73.02813	1.7
78.72269	0.6
79.42208	0.5
83.01244	2.5
85.02826	10.8
87.00758	3.0
89.02315	94.0
90.02624	1.3
95.01273	3.9
98.20513	1.0
101.02319	30.8
113.01526	1.0
113.02325	25.4
119.03384	37.9
120.03751	1.0
131.03395	3.7
135.04388	2.0
143.03406	6.5
149.04422	3.0
161.04433	6.3
179.05528	14.9
180.05890	1.1
189.10292	0.6
191.05492	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.3
57.03328	2.1
58.00468	5.6
59.01251	100.0
60.01584	1.4
64.20715	0.4
67.01749	0.8
69.03290	0.7
69.86677	1.3
69.87103	1.4
71.01254	65.0
71.85008	0.4
72.01598	1.0
72.99181	5.6
73.02809	3.6
75.00735	0.5
76.11251	0.5
83.01260	3.9
85.02821	13.8
86.93500	0.4
87.00758	3.1
89.02316	74.6
90.02665	1.2
93.46195	0.5
95.01267	4.3
97.02874	0.5
98.10803	0.4
99.00759	1.5
101.02322	36.6
101.25417	0.4
101.44283	0.5
102.02679	0.5
109.02811	0.7
113.02330	24.1
114.02650	0.5
119.03390	31.7
120.03702	0.7
125.02312	1.0
131.03404	3.0
135.04372	1.5
143.02504	0.5
143.03412	5.0
145.51076	0.4
149.04449	3.2
159.02916	0.5
161.04459	4.9
168.25807	0.4
173.04427	0.9
179.03766	0.5
179.05530	9.4
191.05461	1.0
221.11934	0.4
343.13058	0.4
533.26300	3.7
534.25665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.1
59.01244	3.9
61.80779	0.8
71.01263	3.3
73.02827	1.4
83.04932	1.1
85.02823	11.8
85.59502	0.8
87.00758	5.9
89.02314	1.6
93.03336	4.3
95.20125	0.8
99.00774	1.1
101.02336	1.4
109.02858	2.0
111.04411	2.4
127.03943	2.5
129.01857	1.8
135.04454	2.2
137.02341	1.1
150.44772	0.9
173.04501	4.0
191.01961	2.5
191.05544	100.0
192.05884	3.3
211.62688	0.9
271.09698	1.6
289.92667	0.9
359.07663	1.6
460.32623	0.9
491.19623	1.0
533.13330	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2032
Annotation	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03332	2.4
58.00471	0.5
59.01254	32.3
61.98703	2.4
62.53382	0.4
65.03835	1.6
67.01768	0.6
69.03339	0.5
71.01259	8.7
71.04913	0.5
71.07919	0.8
72.99186	2.5
73.02823	3.1
75.00731	0.5
80.02568	0.6
81.03349	0.7
83.01263	2.0
83.04920	1.0
85.02822	5.0
87.00759	1.5
89.02328	3.6
91.05407	7.6
93.03338	4.0
97.02796	0.7
99.00752	0.6
99.04407	1.5
101.02338	5.7
101.05972	1.8
107.04935	0.7
108.02073	4.9
109.02840	12.9
111.04417	0.6
113.02332	3.4
115.07529	4.8
119.03376	1.3
119.04908	2.2
121.02847	13.5
122.03630	0.8
123.04412	2.5
125.02377	1.4
131.03427	0.5
133.02850	5.2
134.03630	5.6
135.04419	73.0
136.04741	2.8
137.02348	1.7
137.05986	0.6
139.03935	1.3
146.03618	1.2
147.04448	3.9
148.05223	2.5
149.02370	1.1
149.06017	4.7
150.03122	0.9
151.03899	2.1
153.11723	0.5
157.02843	0.5
158.03621	1.1
159.04430	1.6
161.04448	1.1
161.05943	1.0
163.03883	1.4
163.07547	2.2
165.05537	1.3
173.04475	2.3
173.06017	1.7
175.03922	0.9
175.07523	0.6
176.04686	1.2
177.01855	1.1
177.05504	3.0
178.02693	0.5
179.03418	0.6
189.05443	1.1
190.26242	0.5
191.03819	0.6
191.05513	4.2
191.07086	11.9
192.05870	0.7
199.07643	0.8
205.08655	0.8
207.13863	0.8
209.09819	0.6
209.11795	2.0
213.05669	0.5
215.07211	0.6
217.08646	0.9
225.14941	0.5
249.11398	1.3
250.46706	0.5
253.05496	0.6
255.02986	0.7
255.06593	0.7
265.05222	1.1
269.08157	1.5
269.13922	8.5
270.14334	0.7
279.06644	1.8
280.07248	2.6
284.03320	0.6
285.03995	1.0
295.09747	6.4
309.24231	0.6
311.12531	1.0
313.10822	3.2
327.25427	2.1
335.13104	0.7
353.14047	0.6
353.22894	1.0
371.14990	100.0
371.24319	4.8
372.15329	9.5
413.25763	0.6
467.99792	0.6
473.27295	1.4
491.28897	1.7
532.31659	0.7
533.20001	1.6
533.29761	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.3
57.03302	3.1
58.00473	1.7
59.01252	100.0
61.98693	2.9
67.01726	1.7
68.99677	1.4
69.03312	1.5
69.27563	12.2
71.01256	36.4
72.99158	5.4
73.02824	28.7
75.00735	2.1
78.91788	6.0
81.03328	2.0
83.01267	8.4
83.04874	1.4
85.02823	10.0
87.00747	4.9
89.02321	12.7
90.64606	1.5
91.05396	3.1
93.03329	5.5
95.01281	8.4
97.02834	2.1
98.20562	3.0
99.00731	3.1
99.04380	2.2
101.02328	33.0
108.02021	2.7
109.02827	9.5
111.00726	3.8
111.04404	1.2
113.02337	9.7
119.03364	3.6
119.04812	1.4
121.02840	18.2
123.00746	1.7
123.04375	3.1
124.01538	9.5
125.02339	7.3
131.03372	2.4
133.02890	1.6
134.03622	1.4
135.04414	27.5
137.02341	10.3
139.03944	1.8
147.04404	3.6
148.01573	3.0
149.02348	58.6
149.06018	1.8
150.03127	10.0
151.03928	25.6
159.04413	2.3
161.02353	5.9
161.04468	3.3
161.50526	1.3
163.03864	5.5
165.01877	1.9
173.04437	4.8
177.01813	2.7
179.03366	1.6
190.02681	2.7
191.03394	10.7
191.05473	6.1
192.05846	1.7
207.10242	3.0
252.07726	1.5
253.05101	1.3
255.02824	2.2
256.54538	1.4
279.07031	1.3
284.03531	1.8
285.04114	3.3
296.06897	5.2
306.06940	1.6
309.24368	2.8
311.09274	24.5
311.22430	1.6
312.09619	3.9
313.09271	5.5
325.23663	1.8
327.25412	10.7
329.10471	1.4
329.13934	4.1
329.23291	3.0
353.10242	5.0
353.14038	1.8
353.23209	3.1
371.14914	14.9
371.24310	15.7
372.24954	1.4
473.26962	6.3
489.10986	1.6
491.15445	5.8
491.28473	4.3
533.16620	57.8
533.28589	17.6
533.83301	1.5
534.17078	11.0
534.30255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47479	1.0
55.58423	1.1
56.85111	1.0
59.01243	2.7
67.01768	1.0
70.75112	2.1
70.75452	1.8
71.01259	2.9
75.00752	1.1
85.02814	10.3
87.00743	4.7
93.03358	3.0
99.00758	1.5
101.02333	2.3
103.51338	1.1
127.03878	2.2
129.01817	4.0
132.20122	1.0
147.02892	1.6
152.42081	1.0
171.02879	1.4
173.04466	2.0
177.18404	1.1
191.01860	3.3
191.05539	100.0
192.05830	4.1
230.42029	1.0
282.81479	1.1
333.60056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11853	1.2
55.01771	1.2
65.03842	6.8
67.01751	5.9
71.68715	1.0
79.05395	7.9
81.13715	1.5
85.91668	1.2
91.05431	3.3
98.19733	1.8
105.03342	2.6
107.04934	4.4
109.02838	35.9
110.03191	1.5
111.00747	1.3
113.78479	1.1
121.02847	9.1
121.06480	1.1
121.63780	1.1
123.04413	83.8
124.04728	2.7
130.70796	1.2
131.04955	1.9
133.02858	4.7
135.04428	12.4
145.85938	1.2
146.21107	1.1
147.04413	4.8
148.01595	2.9
149.02327	3.6
149.06064	1.3
151.03918	53.5
152.04289	2.7
152.99544	1.0
153.01860	21.7
155.08612	1.3
159.04431	3.1
161.02357	8.7
165.05475	5.2
173.06009	6.5
175.03929	8.8
175.07579	8.4
177.01938	1.9
179.03415	2.1
183.08173	2.3
193.04990	7.4
195.02963	2.9
199.07707	2.2
205.01372	4.4
211.03954	19.5
215.07036	2.6
217.04922	2.0
219.03056	1.7
219.06609	5.1
225.05525	26.0
226.05907	1.7
227.07104	50.1
228.07487	3.6
245.08148	3.0
269.04605	2.4
269.08093	2.1
271.06134	100.0
272.06509	9.4
339.08884	1.6
361.10782	1.4
363.08990	5.6
379.11868	1.9
381.09799	68.4
382.10211	10.4
423.10873	3.7
515.13617	10.1
516.13739	2.1
533.14569	19.9
534.14734	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72116	1.1
57.03317	1.4
59.01251	30.9
61.98687	1.3
65.03838	8.1
65.57149	0.9
66.15407	0.9
67.01767	13.3
69.09590	1.2
71.01257	8.2
73.02810	4.8
77.03842	2.7
78.95774	1.0
83.01269	1.9
85.02819	4.0
86.98993	2.2
87.00740	1.1
89.02328	2.4
91.05402	8.8
93.03334	2.6
97.02785	0.9
98.19759	2.2
99.14170	0.9
101.02321	8.0
105.03351	1.2
107.04912	1.1
107.99002	1.0
109.02828	32.0
111.00741	1.3
113.02385	2.0
117.03414	1.2
121.02850	5.6
123.04388	8.0
124.03946	1.3
125.02308	1.2
131.04938	2.3
133.02821	1.1
135.04413	79.0
136.04774	3.0
137.02258	1.1
147.04311	1.0
149.02274	1.7
151.03891	1.9
153.01851	13.2
153.05479	13.0
153.06773	1.3
154.05830	1.0
155.08556	1.2
159.04437	1.1
160.00673	9.7
161.02345	2.1
161.04472	2.0
163.03918	6.5
167.03452	2.6
173.04486	1.7
175.03925	6.7
177.05569	1.3
179.03429	19.9
181.05029	3.4
181.06512	3.1
191.05582	4.3
195.08127	1.8
197.04489	19.4
197.06154	2.1
225.05518	100.0
226.05872	9.8
229.60573	1.2
239.07120	4.4
247.07610	3.0
249.05553	2.7
249.09169	1.8
251.06773	1.2
255.03014	1.5
257.04218	1.2
261.09360	1.2
269.04541	42.0
270.04874	2.5
273.09158	2.0
284.03204	1.3
285.04047	2.6
289.08560	3.5
307.09787	4.0
317.08142	14.8
343.09406	1.0
351.08832	2.4
353.10138	1.8
361.07162	30.5
361.11108	1.4
362.07581	4.1
371.24252	1.5
379.08212	97.2
380.08563	12.1
381.09921	3.6
405.09494	1.5
423.10730	3.6
447.25974	1.4
455.18164	1.3
489.10736	1.3
489.27090	10.1
515.13403	3.5
533.14410	17.4
533.32819	5.4
534.14954	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0939
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
50.45244	0.4
54.21931	0.4
59.01264	2.0
62.07449	0.4
63.02282	0.6
65.00194	0.7
65.16675	0.4
66.04095	0.5
69.27406	5.2
78.50759	0.4
83.01271	0.9
89.02357	0.6
92.07238	0.5
93.03344	2.1
98.19749	0.9
107.01279	3.6
109.02877	0.8
117.14923	0.4
119.03445	0.5
132.02083	1.7
135.00777	1.7
135.04346	0.5
143.04933	0.9
151.00278	1.7
153.01848	0.7
157.06575	0.6
159.04407	1.4
161.02339	0.8
163.00296	3.2
164.00914	0.6
166.40265	0.4
167.04993	0.5
169.06523	1.2
169.76703	0.5
171.04433	0.8
182.03583	0.5
183.04465	1.0
185.02417	0.5
185.05986	2.8
186.01323	0.4
186.27783	0.5
187.03900	2.7
189.05528	1.3
197.06015	1.5
199.03960	1.3
201.05511	0.6
211.04005	3.8
211.05878	0.7
212.04645	0.8
213.01949	0.6
213.05522	2.1
227.03464	31.1
228.03894	2.5
229.05028	12.0
230.05301	0.4
239.03450	2.0
240.04138	0.7
241.05045	1.7
253.47289	0.5
255.02983	68.7
256.03448	7.9
257.04532	6.6
267.02936	0.7
283.02542	1.8
284.03265	77.8
285.04028	100.0
286.04355	7.4
489.10382	35.4
490.10880	6.3
533.29462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69559	3.4
59.01245	39.2
69.27525	23.5
69.27950	15.1
71.01247	13.7
73.02827	6.5
85.02811	5.3
89.02337	7.4
91.05394	7.1
98.20556	8.4
101.02338	7.5
113.02320	7.3
121.02880	6.4
135.04428	27.6
159.04445	4.4
163.00246	4.7
197.38576	3.3
211.03983	4.3
227.03479	27.5
229.05104	9.0
252.68469	3.9
255.02950	48.0
256.03500	6.2
281.08075	6.6
284.03265	62.4
285.04037	100.0
286.04385	11.5
286.62698	3.7
329.14035	6.8
353.10257	5.0
371.11026	6.1
436.16562	3.9
473.18274	19.8
476.16977	4.7
489.10300	31.3
491.18973	22.4
533.12567	4.4
533.29547	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68399	1.7
57.03322	4.4
59.01244	8.6
69.03329	1.9
71.48174	1.6
78.95763	9.6
81.03316	1.7
85.02834	4.4
96.95885	4.9
98.20573	3.9
102.83952	1.7
107.04904	1.7
123.04433	6.0
123.08035	9.0
125.09608	2.3
139.11211	6.7
142.02678	4.9
149.09654	1.9
151.11249	2.6
152.99536	3.0
155.14236	2.3
167.10606	2.1
171.10222	6.7
179.14444	2.0
195.13849	5.2
199.13373	17.5
205.12288	3.2
221.11693	4.6
223.13353	35.6
224.13722	1.9
239.12927	3.0
245.19052	11.6
255.23288	30.3
256.23627	12.2
271.17084	2.7
289.18097	76.6
290.18469	6.3
291.19626	4.3
307.19168	100.0
308.19562	6.3
363.25394	3.6
480.31329	9.2
481.31119	9.1
531.33380	3.1
532.33966	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
59.01247	2.5
60.25309	0.8
69.38933	4.7
69.39350	3.0
69.40749	0.9
71.01263	4.4
71.04897	5.6
73.02823	2.1
76.03468	0.8
79.78770	0.8
80.92073	0.9
83.01254	10.7
83.04900	0.9
97.06453	3.0
99.04334	1.3
107.99018	0.8
119.78909	0.8
120.95669	0.9
123.08057	2.2
125.05970	1.4
125.09614	20.1
129.79268	0.8
132.11511	0.9
141.09119	3.3
153.09116	2.9
156.37411	0.9
163.11127	1.1
165.12738	4.0
171.10201	1.7
181.12259	2.0
183.13815	1.7
187.09636	1.1
191.10712	3.0
209.11775	9.4
227.12842	100.0
228.13147	5.9
235.09680	1.0
253.10808	30.9
254.11258	1.8
277.21741	13.5
425.34274	2.3
433.33557	1.0
443.35477	2.5
469.33105	7.4
471.31351	1.1
487.34372	2.2
531.33319	32.6
532.33771	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99026	0.3
59.01238	1.0
71.57830	0.7
78.95778	20.1
93.13678	0.3
95.68349	0.3
96.96827	0.8
152.99510	5.1
159.35126	0.3
171.00513	0.4
177.45653	0.4
191.05496	0.5
196.89420	0.5
198.16431	0.3
220.07347	1.0
224.06857	0.7
241.10909	0.4
255.23273	100.0
256.23624	9.4
257.23877	0.7
276.10059	7.1
294.11087	1.6
365.26999	1.9
480.30960	4.7
481.31400	1.0
482.31552	0.7
532.34106	24.5
533.34912	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28433	1.6
57.03326	2.2
58.00457	5.3
59.01252	100.0
71.01254	70.8
71.57717	3.2
72.01573	2.4
72.99187	7.6
73.02819	2.4
83.01243	3.9
85.02831	16.4
87.00748	6.9
89.02319	97.4
93.03333	3.9
95.01246	3.7
96.95873	2.7
101.02332	31.1
108.02078	1.6
109.02824	6.1
113.02338	28.6
119.02573	3.0
119.03396	39.5
127.03971	1.6
131.03412	3.3
135.04343	2.6
137.02249	1.6
143.03410	6.4
143.07018	2.0
145.02805	2.1
147.04411	5.1
149.04427	3.5
159.04442	4.1
161.04437	8.9
162.11050	1.3
173.02284	1.9
173.04480	5.0
179.05519	18.7
185.02385	1.6
191.03836	1.5
191.05548	23.0
192.05966	1.4
229.01344	11.9
239.06927	1.7
249.05487	2.6
250.06531	2.0
251.09108	2.1
266.05759	1.7
267.06613	6.7
269.08163	3.4
277.05206	3.2
278.05783	1.6
278.65326	1.6
286.23590	1.6
295.06149	9.0
339.05045	42.8
340.05389	6.0
418.05353	1.8
531.10449	1.7
531.17670	2.1
544.03088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
56.18829	0.6
58.02837	1.2
59.01252	24.9
59.33266	0.5
60.01591	0.6
65.80537	0.5
66.03358	0.9
67.01756	0.5
69.03306	0.7
70.02853	1.8
71.01255	6.0
71.58279	0.7
71.58673	0.9
72.99162	1.1
73.02807	2.8
73.03940	1.3
81.02065	2.6
82.02863	2.3
82.06475	1.1
83.01276	0.9
83.04907	0.6
85.02824	2.9
87.00755	1.5
87.04397	0.6
89.02319	2.7
93.03359	4.4
95.01266	1.2
96.00786	9.7
97.06464	1.0
98.02355	22.0
99.00760	0.9
99.04434	1.4
99.05519	12.0
101.02327	4.8
102.77924	0.5
109.01594	4.7
109.02846	1.4
113.02325	3.3
114.01867	1.7
114.05515	1.1
119.03382	0.9
119.04905	2.6
120.05245	1.1
121.02824	1.3
121.04002	1.0
122.09630	0.8
123.04443	0.7
129.01854	1.0
130.08636	32.3
130.87210	0.6
131.08966	0.8
131.79254	0.6
134.03612	0.6
135.04416	4.8
136.04814	1.3
137.02353	6.2
138.09143	16.6
139.08652	4.7
139.09552	0.8
139.89471	0.5
140.07053	3.1
141.06602	8.5
147.04643	0.8
147.05862	4.1
149.02319	0.9
149.05962	1.0
150.09131	0.7
152.07114	0.8
156.06538	0.9
161.02345	0.9
161.04535	1.4
163.08728	0.8
164.09453	1.8
165.10228	1.3
166.08659	12.4
168.10216	1.8
173.04436	2.0
175.07500	0.5
176.78084	0.6
179.03406	0.6
182.15410	0.6
183.13901	0.7
183.98967	0.6
189.06970	17.5
189.09122	2.6
190.11119	0.8
191.05579	4.4
194.08244	0.7
195.15056	0.6
199.07581	1.6
199.18103	0.6
204.09055	1.3
204.10912	0.7
205.08600	0.6
209.09233	1.5
210.07649	2.8
215.07242	0.7
225.16016	5.9
227.03448	0.7
233.16533	4.1
235.18124	5.8
236.11613	1.7
236.16519	0.7
243.17102	1.7
253.19212	0.7
255.02827	0.6
261.16052	6.6
279.17136	5.8
281.19965	0.6
301.03647	0.6
309.20804	1.0
323.16107	100.0
324.16458	8.6
325.14194	1.1
326.14914	0.9
327.08582	0.8
327.15482	0.6
327.21786	0.9
341.17126	3.2
352.08334	0.6
369.09659	1.8
369.13727	0.9
369.22812	1.3
400.15387	0.8
443.29993	0.6
471.25861	1.6
489.26843	1.7
513.23859	36.0
514.24164	6.8
531.16803	1.1
531.27301	7.2
532.28802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.7
65.03841	0.8
67.01753	5.5
69.05983	0.5
70.32634	2.2
71.01256	1.9
80.40475	0.6
84.78237	0.6
85.02837	0.8
87.00733	0.8
89.02369	0.8
91.05421	2.2
93.03347	0.8
95.01293	0.7
100.93883	0.5
105.07017	0.9
109.02859	1.1
111.00751	0.8
116.55064	0.6
117.06998	7.0
119.04942	0.9
121.02823	2.8
123.04415	1.8
125.30476	0.5
134.03639	11.3
135.04428	44.3
136.04805	3.4
137.05948	1.2
147.04425	17.5
148.05238	11.6
149.06012	3.5
153.05501	12.2
154.05775	0.5
159.04462	1.8
160.05234	4.8
161.05998	66.9
162.06342	4.8
163.03963	0.7
163.07503	0.8
165.05492	77.1
166.05818	4.5
166.84642	0.5
173.06013	2.5
177.07631	0.8
177.09142	13.4
178.09515	1.1
179.07069	32.3
180.07422	1.7
189.09151	28.9
190.09488	2.2
191.05611	0.6
191.07076	15.1
192.07430	0.7
201.09087	1.1
203.10718	100.0
204.11058	8.7
205.11446	1.2
215.10718	21.1
216.10991	1.5
238.05899	0.6
307.09802	0.8
351.15741	0.9
363.08795	1.0
369.17050	54.2
370.17392	6.9
487.14081	1.9
531.22156	3.0
532.22717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.1
57.94422	1.5
59.01252	50.6
61.98720	1.6
69.28861	6.8
69.29294	7.9
70.02848	1.3
71.01257	14.8
72.99174	2.1
73.02822	7.3
83.01235	2.5
83.04829	1.9
85.02811	4.2
87.00753	4.5
89.02304	3.5
93.03339	4.8
99.04411	1.6
101.02318	7.9
108.02026	1.6
109.02834	3.4
111.04391	2.1
113.02328	4.2
115.03896	1.5
119.04907	11.3
120.05238	1.8
121.02869	2.1
123.04421	2.3
125.09577	1.8
135.04414	6.6
137.02385	2.5
149.06041	1.9
155.54974	1.6
161.02301	2.0
163.03896	5.6
173.04478	3.9
179.03371	1.6
191.05551	11.0
207.06622	1.5
225.05528	2.3
239.48978	1.3
253.04970	2.3
254.05725	4.2
265.05005	3.6
286.04831	11.8
309.11316	100.0
310.11499	11.1
325.23914	3.9
333.17331	1.4
351.21579	2.4
369.22696	7.3
379.08078	2.3
471.25632	2.1
531.28271	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80978	1.0
55.01748	1.7
57.03333	6.3
57.32033	1.1
59.01248	14.9
67.01740	1.5
68.99666	1.3
69.03327	4.1
69.28982	4.5
69.29403	9.3
71.01250	28.1
72.99178	32.6
73.02816	35.2
75.00739	5.2
83.01257	3.9
85.02820	52.8
86.03110	1.5
87.00753	4.9
89.02315	4.1
95.01254	14.8
97.02823	1.6
99.00752	12.3
101.02319	13.8
103.00281	1.9
103.03905	3.2
111.00771	1.8
113.02331	100.0
114.02657	3.0
115.00256	8.2
117.01771	2.7
122.21896	1.2
122.22792	1.3
129.01849	13.3
131.03391	39.1
131.91789	1.0
153.85486	1.2
157.01324	16.4
159.95517	1.2
161.04442	5.2
175.02396	80.6
176.02687	3.3
193.03470	5.2
235.02332	1.9
235.04575	23.4
256.96265	1.3
337.07742	15.6
355.08908	6.3
397.09692	2.7
439.10748	2.4
453.08832	5.1
471.09976	8.2
531.12134	10.7
532.12817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
71.01266	1.8
75.02496	0.5
76.92724	0.6
85.02821	6.1
87.00748	1.4
89.02316	0.8
93.03324	3.8
96.95882	0.5
101.02312	0.7
108.02044	0.9
109.02836	10.9
111.04341	0.6
121.02872	1.1
125.02335	0.6
125.25054	0.5
127.03892	1.3
129.03328	0.8
131.04933	0.7
137.02316	1.1
145.02861	5.1
147.04401	4.4
157.02809	4.2
158.03566	0.8
159.04408	7.1
173.02359	1.6
173.04510	1.4
174.03131	1.1
175.03937	2.1
185.02377	2.4
191.05547	46.9
192.05939	1.9
193.06641	0.6
196.05200	0.8
197.06030	0.6
201.01912	1.0
211.03893	0.8
211.07622	0.6
221.06032	2.1
224.04729	1.0
229.01370	24.6
230.01904	2.1
238.06386	1.1
239.07098	2.0
249.05566	5.7
250.06142	2.0
253.04904	1.1
265.05029	1.4
266.05905	1.6
267.06607	13.1
268.06824	1.0
269.08160	2.4
276.04211	0.8
277.05005	7.3
278.05676	1.7
293.04492	3.8
294.05316	2.2
295.06113	19.2
296.06458	1.3
313.07040	0.9
339.05090	100.0
340.05444	8.9
368.53665	0.7
487.12582	1.3
507.01242	0.6
525.15222	0.6
531.11371	10.3
532.12000	2.1
532.55969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1145
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
57.03309	1.3
58.00459	0.9
59.01250	20.7
69.11105	0.8
71.01264	10.5
71.58701	1.6
72.99190	1.4
73.02825	2.2
83.01261	1.3
83.04929	1.0
85.02827	14.2
87.00759	3.1
89.02315	6.0
93.03338	10.4
96.95907	1.7
99.00774	1.3
99.04382	1.6
101.02340	3.7
108.02063	1.6
109.02847	22.8
111.04420	2.2
113.02335	3.2
117.03343	1.0
119.03381	2.4
119.04969	1.1
121.02854	2.9
123.04408	2.2
125.02383	1.5
125.06067	0.8
127.03975	2.0
129.03419	1.6
131.04843	0.9
133.02863	2.4
133.76707	1.0
135.04422	5.2
137.02350	3.5
145.02853	8.2
146.03635	2.2
147.04425	15.4
151.00304	2.2
155.03410	1.1
157.02904	6.7
159.04422	14.8
161.02348	1.9
161.04703	1.4
161.05861	4.3
163.03917	1.3
173.02357	3.4
173.04475	7.5
174.03073	1.0
175.03952	4.4
177.01868	2.1
179.03436	3.1
179.05499	2.5
185.02357	4.4
191.05544	78.6
192.05891	3.1
193.06625	1.2
201.01907	1.8
203.03497	2.0
205.04971	2.4
215.36258	0.9
221.06154	2.9
223.07497	0.9
225.05559	1.4
229.01396	41.1
230.01892	3.6
238.06247	1.8
239.07172	3.8
243.02881	1.4
248.04890	1.3
249.05582	6.5
250.06319	3.4
251.07021	1.1
255.02934	2.0
265.05121	2.1
266.05844	3.1
267.06625	20.8
268.07062	1.9
269.08163	9.5
271.02499	3.3
276.04266	1.2
277.05042	13.8
278.05682	2.9
293.04678	4.2
294.05569	1.8
295.06116	29.6
296.06412	2.4
300.02768	7.2
301.03448	4.2
313.07147	3.0
335.07886	1.1
339.05106	100.0
340.05423	10.0
357.05942	1.9
463.09030	10.0
464.08942	1.0
487.12756	1.3
531.11639	15.1
531.28339	1.7
532.11694	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.1
64.23692	0.4
64.26571	0.4
70.18401	1.8
78.95771	20.1
117.72385	0.4
134.98302	0.4
152.99469	2.5
168.04213	2.3
191.05533	0.9
224.06882	6.8
242.07922	1.7
255.23257	100.0
256.23608	9.0
261.07706	0.4
270.11609	0.4
363.25162	0.5
480.30930	51.6
481.31204	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01102	0.4
57.03331	0.5
59.01240	3.3
63.30526	0.3
63.88326	0.3
64.89502	0.3
67.01740	0.5
71.01244	2.4
72.99187	0.5
73.02835	0.7
81.03339	0.5
83.04893	0.6
85.02826	7.4
87.00743	2.0
89.02316	1.5
89.65221	0.4
93.03329	5.1
96.95892	0.5
99.04370	0.5
101.02290	0.5
108.02030	0.6
109.02839	16.2
111.04391	0.9
113.02318	0.8
119.04924	1.2
121.02863	1.9
123.04392	0.8
125.02367	0.4
127.03886	1.6
129.03331	1.5
130.04164	0.6
131.04936	0.5
133.02846	0.5
137.02341	1.6
145.02853	6.6
146.03654	2.2
147.04424	13.8
149.02301	1.1
153.01855	0.4
157.02882	5.7
158.03625	1.3
159.04430	10.5
161.02336	1.0
163.03999	0.5
171.02873	0.8
173.02396	2.4
173.04478	3.4
174.03104	1.0
175.03925	2.6
179.05640	0.4
185.02391	3.1
186.02882	0.5
187.03870	0.8
191.05537	46.9
192.05914	1.4
193.06525	1.1
197.05998	1.0
201.01889	1.4
203.03412	1.8
209.05928	0.5
210.06467	0.5
211.07498	1.3
211.09604	0.4
213.01813	0.4
220.05116	0.5
221.06079	3.0
221.07994	0.6
222.06834	0.6
223.07556	0.8
224.04668	0.9
225.05507	0.8
229.01375	27.9
230.01889	2.5
233.05986	0.6
237.05579	1.0
238.06319	1.2
239.07074	2.9
248.04807	1.4
249.05507	6.1
250.06290	3.2
251.06870	0.6
253.05016	1.4
265.05109	1.4
266.05844	2.4
267.06604	16.2
268.07010	1.4
269.08160	8.4
276.04318	1.2
277.05045	9.6
278.05707	2.8
280.03644	0.7
293.04578	4.7
294.05310	3.0
295.06107	19.8
296.06378	2.2
313.07111	4.5
314.06931	0.5
339.05075	100.0
340.05408	9.5
357.06018	1.2
487.12793	1.1
526.76373	0.5
527.47961	0.4
531.11530	7.9
531.19678	0.7
532.11926	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08103	0.5
56.33950	0.5
59.01246	7.9
69.86954	3.7
71.01257	6.2
73.02808	1.0
83.01236	0.6
85.02801	1.1
89.02315	5.7
95.61040	0.5
101.02315	6.3
101.09665	0.5
113.02318	3.3
119.03378	1.0
143.03285	0.6
161.04463	3.7
167.10698	0.5
178.13225	0.6
179.05472	1.1
179.14207	0.6
191.56918	0.6
195.13841	10.0
196.14548	1.0
205.12288	0.9
215.14536	0.7
223.13364	5.5
253.09262	29.7
254.09660	1.8
256.13126	1.2
275.20206	6.3
293.21225	100.0
294.21600	8.4
313.73749	0.6
421.41498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.5
57.03319	0.9
59.01249	12.1
65.96461	0.3
67.83617	0.3
69.03331	0.4
69.59308	1.9
71.01254	8.9
71.04887	4.0
72.99187	0.5
73.02794	1.7
83.01251	0.7
83.04873	0.6
85.02821	2.3
87.00739	1.3
89.02316	7.4
89.02837	0.7
89.31438	0.3
91.03876	0.4
93.03349	0.8
95.01276	0.5
98.20529	0.6
101.02318	8.6
113.02328	3.5
116.49030	0.3
119.03383	2.5
119.52126	0.3
124.22858	0.4
133.93358	0.4
143.03389	0.9
161.04460	4.3
173.04478	0.7
177.16554	0.5
179.05614	0.8
187.69923	0.4
191.17995	0.5
196.69646	0.4
209.15408	1.8
219.17545	0.4
221.08131	0.7
221.15396	1.1
223.17017	2.1
231.21173	1.0
235.08202	1.0
235.16998	24.9
236.17343	1.6
237.18648	0.4
249.09348	0.3
253.09262	29.3
254.09698	1.2
275.20154	28.8
276.20465	2.7
286.33484	0.4
293.21225	100.0
294.21555	10.0
406.03195	0.3
529.29706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03318	0.4
59.01252	8.4
67.99221	0.2
70.56097	0.2
70.69783	0.5
70.70179	0.5
71.01247	6.1
73.02816	1.2
77.91617	0.2
83.01237	0.5
85.02828	1.7
85.57309	0.2
87.00751	0.9
89.02317	6.0
95.01295	0.3
101.02322	6.3
111.08060	0.2
113.02341	3.2
113.09618	0.5
114.93854	0.2
115.03918	0.3
119.03398	1.8
134.18452	0.3
143.03386	0.6
161.04480	3.2
179.05502	1.0
179.14339	1.0
195.13838	9.8
196.14432	0.8
205.12350	0.5
205.15971	0.5
211.13264	0.6
223.11343	0.5
223.13347	5.5
224.13800	0.5
228.13589	0.6
231.21063	0.4
235.08238	0.4
249.22475	0.3
253.09258	29.1
254.09633	1.4
256.13193	1.7
275.20175	5.4
276.20401	0.6
293.21219	100.0
294.21552	9.3
492.22461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41197	0.7
59.01249	20.2
59.03180	0.7
61.98689	3.2
69.03316	1.1
69.38883	7.2
71.01253	8.3
71.04895	2.3
71.62626	0.7
71.75195	1.0
72.99159	0.8
73.02817	2.2
78.95786	1.5
83.04880	0.9
85.02831	2.9
87.00782	1.0
89.02308	7.9
93.03331	1.2
96.95886	1.1
97.06495	0.7
98.20495	1.4
101.02319	11.5
109.02832	1.0
113.02326	4.8
119.03387	2.5
119.05034	0.7
121.02876	1.1
135.04434	2.1
135.11720	1.0
141.10886	0.8
149.04337	1.0
151.75366	0.7
157.08595	1.9
161.04422	4.9
179.05611	1.3
183.13791	0.9
191.05528	1.6
191.18002	0.9
209.15303	1.2
223.13264	1.0
231.21190	1.8
235.08121	1.5
235.17000	43.0
236.17374	2.9
249.18504	1.9
253.09268	39.5
254.09744	1.7
275.20154	57.1
276.20514	4.9
293.21222	100.0
294.21539	9.2
325.14279	1.0
529.26245	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48869	0.3
57.03299	0.8
59.01251	11.1
69.03322	0.3
71.00893	0.6
71.01254	8.3
71.04881	0.7
72.99170	0.6
73.02815	1.5
83.01261	0.9
84.35461	0.3
85.02832	2.1
87.00751	1.2
89.02308	6.1
95.01240	0.4
95.04874	0.4
97.02834	0.4
99.16569	0.4
101.02325	7.0
107.27757	0.3
108.36231	0.3
109.06477	0.6
109.32032	0.4
111.08038	0.7
113.02333	3.8
113.09596	0.7
119.03373	1.8
119.04890	0.4
121.10123	5.0
123.08026	0.4
125.09621	1.3
131.03366	0.5
141.09033	0.3
143.03398	0.9
161.04491	2.7
171.10182	14.4
172.10493	0.8
179.05493	1.0
183.10184	0.7
183.13805	3.9
185.11739	0.8
195.13852	1.6
206.30824	0.3
211.13362	1.5
223.13290	1.3
231.21251	0.9
235.08180	0.6
235.16966	3.4
253.09262	30.7
254.09576	1.5
272.92386	0.3
275.20148	23.4
276.20490	2.0
293.21222	100.0
294.21539	8.1
385.71216	0.4
500.05972	0.4
529.30646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.4
66.27049	0.3
71.01247	2.3
71.58367	0.3
71.58761	0.5
72.96690	0.4
73.02818	1.1
78.03240	0.3
83.01225	0.4
85.02828	1.0
87.00765	0.7
88.36148	0.3
89.02335	0.6
93.03330	4.0
95.04878	0.4
96.95894	3.9
96.96848	0.6
101.02338	1.1
107.04895	0.5
109.02838	0.5
111.04387	0.4
113.02292	0.6
119.04916	100.0
120.05251	4.2
120.62727	0.4
121.02852	0.8
122.03646	0.4
133.02876	0.5
134.03632	0.8
135.04436	1.8
136.05170	0.6
147.04420	1.5
148.05276	0.5
160.05164	1.1
161.02361	0.6
163.07619	0.5
166.02634	0.9
172.05272	0.7
173.04482	0.9
173.06013	0.5
174.06865	0.6
175.07559	9.2
176.04002	0.5
176.08078	0.4
177.09189	1.7
179.03427	0.6
187.05907	0.7
187.07576	13.4
188.07933	0.7
189.09148	7.5
190.09457	0.5
191.05519	3.3
201.09135	1.3
205.08638	71.9
206.08983	5.2
219.10210	3.8
253.47890	0.3
295.13391	0.9
307.13370	2.1
310.57712	0.4
325.14429	37.0
326.14764	4.9
405.17160	0.4
419.13721	0.4
529.13922	0.4
529.26605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42438	0.6
57.03321	0.8
57.93911	0.6
59.01250	19.7
71.01252	5.3
71.04885	1.0
71.19012	1.4
72.99178	1.2
73.02810	2.1
83.01246	0.9
83.04928	0.8
85.02839	3.5
87.00756	1.9
89.02322	2.1
89.31659	0.6
91.05443	0.8
93.03337	14.6
96.95892	1.0
97.06475	0.7
99.00779	0.9
99.04348	0.7
101.02346	3.2
105.06989	3.6
107.04924	1.6
109.02853	1.6
111.04428	1.0
113.02343	2.1
119.04919	100.0
120.05240	4.2
121.02862	1.1
121.06436	0.6
123.04418	1.2
125.02357	1.1
130.10655	0.7
133.02809	1.1
134.03667	0.7
135.04424	59.2
136.04773	2.8
137.02379	1.4
137.05927	0.7
147.04434	1.2
149.02454	0.7
149.05989	27.9
150.06302	1.8
151.03850	0.6
160.50038	0.6
161.02330	1.3
161.05977	2.8
163.07425	0.6
166.02657	1.7
173.04509	3.9
175.07487	0.9
177.09250	0.7
177.53229	0.7
179.03445	1.6
184.62000	1.0
187.07561	7.3
191.05519	8.1
192.05977	0.7
193.08591	1.7
201.09163	11.5
205.08647	55.6
206.09032	3.4
219.10217	7.8
229.04396	0.8
231.10542	0.7
239.20160	0.7
241.05023	0.7
251.07018	0.6
255.10246	4.7
256.22595	0.7
307.09991	1.6
307.13358	7.6
325.11035	2.9
325.14441	58.0
326.14725	6.7
381.66852	0.6
420.89203	0.7
446.32306	0.8
469.18713	2.8
529.20282	2.2
529.27606	2.3
530.29541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.3
58.00463	0.5
59.01251	26.8
69.03308	0.6
69.87625	1.5
71.01252	9.9
72.99167	0.6
73.02818	15.0
75.00754	0.5
79.05402	0.6
81.03322	0.4
83.01260	4.4
85.02826	2.1
89.02318	1.4
93.03337	13.1
94.03706	0.5
99.00764	0.4
101.02320	11.2
107.04895	2.2
109.02832	0.5
113.02333	4.7
119.04916	100.0
120.05241	4.7
121.02790	0.4
125.02370	0.9
131.03407	1.2
135.04413	5.9
143.03378	0.5
149.04468	0.8
149.05983	1.7
150.22433	0.4
151.07578	0.3
155.03506	0.5
161.02409	0.4
161.04453	2.0
163.03911	0.4
169.06496	0.9
173.04478	0.6
175.07587	1.0
175.58296	0.4
185.06004	1.0
186.06697	0.6
187.07571	28.2
188.07944	1.6
191.05576	1.7
201.09140	22.9
202.09468	1.7
205.08649	5.7
213.09154	1.9
219.10234	2.5
223.07487	0.4
238.51624	0.4
251.07199	0.7
252.07953	0.6
269.04645	0.5
307.13385	45.1
308.13742	4.7
325.10785	0.5
325.14432	10.1
326.14880	1.2
409.15198	0.9
417.57599	0.4
529.20929	1.6
529.29370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.5
65.03832	1.6
69.76171	2.7
71.01248	0.6
73.02811	0.6
91.05409	11.5
93.03334	6.8
105.06988	1.1
107.04913	1.9
107.50761	0.5
109.02840	8.9
119.04920	38.0
120.05265	1.1
121.02850	27.8
122.03640	0.5
134.03632	3.1
135.04417	100.0
136.04741	4.4
147.04424	10.7
148.05183	2.1
149.05994	11.0
159.04465	0.5
160.05292	0.7
161.06058	0.9
166.02608	0.5
173.05881	0.5
177.09128	4.8
187.07596	2.8
189.09151	17.0
190.09483	1.2
191.05562	0.9
201.09145	4.1
203.10721	31.9
204.11098	2.9
205.08658	19.0
206.08975	1.1
215.10675	4.8
219.10210	2.0
255.10274	2.0
307.13278	2.4
325.14453	42.2
326.14728	4.8
342.37238	0.5
407.17215	0.6
529.20795	4.9
530.21301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69005	0.2
54.21329	0.2
59.01250	1.2
65.03830	1.9
67.01762	0.6
69.29754	1.2
69.30179	0.6
71.01254	0.3
73.97015	0.2
79.05402	0.7
85.02830	0.2
87.15560	0.2
90.42829	0.2
91.05410	12.0
92.05729	0.5
93.03339	3.0
93.48050	0.2
98.91442	0.2
103.05397	0.2
105.06957	0.2
106.04156	0.2
107.04906	3.4
107.28352	0.2
108.02046	1.9
108.65758	0.2
109.02836	10.8
109.06491	1.5
110.03194	0.3
119.04913	0.9
121.02843	38.1
122.03738	2.3
122.15603	0.2
133.02869	0.9
133.10074	0.3
134.03639	11.8
135.04416	92.9
136.04749	3.9
147.04420	19.4
148.05223	5.8
149.05597	0.2
159.04431	1.5
159.11700	0.9
160.05214	1.0
166.02650	1.0
171.08049	0.4
173.05972	0.8
174.06738	0.6
177.05750	0.4
177.09126	16.5
178.09451	1.0
185.09769	0.2
187.07617	0.3
188.08345	0.2
189.09143	38.6
190.09459	2.4
191.05496	0.4
199.07578	0.2
203.10709	100.0
204.11047	7.2
215.10730	8.9
216.01543	0.2
216.11086	0.7
325.14432	45.2
326.14810	5.8
339.10861	0.4
367.15369	0.2
469.18393	0.2
529.12695	0.4
529.20782	6.5
530.21283	1.1
553.51666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99940	0.2
59.01247	3.5
61.98685	0.4
69.25587	2.7
71.01260	0.4
79.05412	0.6
85.02813	0.5
93.03327	0.6
101.02287	0.4
107.04905	3.9
108.02055	0.3
109.02876	1.4
121.02847	0.8
122.03616	0.4
133.02765	0.3
134.03638	2.8
135.04417	100.0
136.04745	4.1
143.00035	0.3
143.21663	0.3
145.10155	0.3
147.04399	2.0
148.05193	0.6
151.47557	0.3
159.04420	0.5
161.05934	0.2
162.03136	0.3
163.03833	0.4
166.02625	1.5
171.08023	0.3
173.04541	0.4
173.05890	1.3
174.06732	1.0
177.09119	3.6
189.09143	69.1
190.09476	3.7
191.05569	1.0
203.08955	0.5
203.10710	5.9
204.10930	0.4
205.08501	0.3
307.09708	1.1
325.14429	20.5
326.14804	2.3
332.29272	0.4
339.10858	1.9
469.18686	0.6
529.20673	0.6
530.21106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03326	2.2
58.00462	0.7
59.01252	62.1
60.01580	0.7
61.98715	0.6
67.01762	0.6
71.01253	18.2
71.58495	0.4
72.99174	2.2
73.02818	14.2
75.49448	0.4
75.72428	0.5
79.05419	0.4
83.01254	4.5
83.04903	0.6
85.02821	7.7
86.57366	0.5
87.00757	1.7
87.04395	0.7
89.02321	6.8
91.05418	0.7
93.03345	1.5
95.01257	1.7
96.95889	0.9
97.02814	0.7
97.06484	0.5
98.02310	0.5
99.00751	1.8
99.01387	0.6
101.02319	15.7
108.02050	1.0
109.02847	2.1
109.06553	0.5
111.00736	0.6
111.04390	0.6
111.08057	0.4
113.02329	7.2
119.03419	2.6
119.04929	0.6
121.02850	3.4
123.08051	0.6
125.02310	1.1
125.09604	2.2
127.03942	0.5
131.03383	1.0
133.02856	0.7
134.03633	0.8
135.04414	7.3
137.02298	0.6
141.09219	0.5
143.03430	1.2
147.04414	1.9
148.05165	0.7
149.02342	0.6
149.04456	0.8
151.07515	0.5
152.07037	0.4
161.02350	0.5
161.04424	2.7
173.04471	1.5
173.05959	0.8
177.09111	0.9
179.03336	0.7
179.05597	0.5
189.09123	2.6
191.05579	5.2
193.08617	2.4
203.10716	5.5
209.05942	0.7
210.06631	0.5
215.10757	0.7
221.06134	0.6
222.06807	1.4
223.07545	2.8
225.05531	0.5
233.06058	0.6
237.09100	0.5
247.07643	1.2
248.08331	0.7
250.06390	0.5
253.05034	1.6
255.06627	2.4
263.10791	1.2
265.05411	2.7
265.08661	5.1
266.05807	0.7
266.09009	0.5
267.06589	1.5
277.05124	1.8
283.09802	1.1
289.08578	0.6
291.06653	5.2
292.07306	2.2
305.08209	0.5
307.09753	100.0
307.19128	3.1
308.10107	11.3
309.11264	1.7
323.16025	1.2
325.10831	30.5
325.14410	2.5
326.11151	4.2
409.13135	1.1
422.48587	0.5
442.32111	0.5
467.34122	0.6
468.26599	0.5
469.15027	28.2
470.15384	5.3
485.35181	0.7
487.16110	15.8
487.23990	0.5
487.25537	0.7
488.16397	2.4
511.26294	0.5
529.17090	5.9
529.26459	11.9
530.17981	1.0
530.26678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03326	2.2
58.00462	0.7
59.01252	62.1
60.01580	0.7
61.98715	0.6
67.01762	0.6
71.01253	18.2
71.58495	0.4
72.99174	2.2
73.02818	14.2
75.49448	0.4
75.72428	0.5
79.05419	0.4
83.01254	4.5
83.04903	0.6
85.02821	7.7
86.57366	0.5
87.00757	1.7
87.04395	0.7
89.02321	6.8
91.05418	0.7
93.03345	1.5
95.01257	1.7
96.95889	0.9
97.02814	0.7
97.06484	0.5
98.02310	0.5
99.00751	1.8
99.01387	0.6
101.02319	15.7
108.02050	1.0
109.02847	2.1
109.06553	0.5
111.00736	0.6
111.04390	0.6
111.08057	0.4
113.02329	7.2
119.03419	2.6
119.04929	0.6
121.02850	3.4
123.08051	0.6
125.02310	1.1
125.09604	2.2
127.03942	0.5
131.03383	1.0
133.02856	0.7
134.03633	0.8
135.04414	7.3
137.02298	0.6
141.09219	0.5
143.03430	1.2
147.04414	1.9
148.05165	0.7
149.02342	0.6
149.04456	0.8
151.07515	0.5
152.07037	0.4
161.02350	0.5
161.04424	2.7
173.04471	1.5
173.05959	0.8
177.09111	0.9
179.03336	0.7
179.05597	0.5
189.09123	2.6
191.05579	5.2
193.08617	2.4
203.10716	5.5
209.05942	0.7
210.06631	0.5
215.10757	0.7
221.06134	0.6
222.06807	1.4
223.07545	2.8
225.05531	0.5
233.06058	0.6
237.09100	0.5
247.07643	1.2
248.08331	0.7
250.06390	0.5
253.05034	1.6
255.06627	2.4
263.10791	1.2
265.05411	2.7
265.08661	5.1
266.05807	0.7
266.09009	0.5
267.06589	1.5
277.05124	1.8
283.09802	1.1
289.08578	0.6
291.06653	5.2
292.07306	2.2
305.08209	0.5
307.09753	100.0
307.19128	3.1
308.10107	11.3
309.11264	1.7
323.16025	1.2
325.10831	30.5
325.14410	2.5
326.11151	4.2
409.13135	1.1
422.48587	0.5
442.32111	0.5
467.34122	0.6
468.26599	0.5
469.15027	28.2
470.15384	5.3
485.35181	0.7
487.16110	15.8
487.23990	0.5
487.25537	0.7
488.16397	2.4
511.26294	0.5
529.17090	5.9
529.26459	11.9
530.17981	1.0
530.26678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.1
59.01254	10.9
61.98681	1.1
65.99707	0.9
70.26072	1.0
71.01269	5.1
72.99191	1.1
73.02811	1.3
78.26430	0.9
78.95771	2.7
80.96354	1.3
85.02808	3.1
87.00764	1.1
89.02312	2.1
93.03329	2.8
95.04932	2.7
96.95885	3.5
96.96828	1.3
99.00748	2.0
101.02312	2.7
107.03644	1.4
108.02053	2.0
108.93193	0.9
109.02830	4.8
110.02388	1.9
110.05996	7.7
112.03925	5.7
113.02396	1.0
118.06536	5.0
121.02822	1.1
121.05199	1.2
122.06018	27.9
123.03149	9.4
123.04393	1.4
124.03941	7.3
125.02323	1.1
133.30208	0.9
135.04398	2.3
137.02379	1.4
138.05515	38.0
139.05847	1.7
140.07019	1.4
144.04469	13.6
145.02902	1.0
146.06026	90.2
147.06384	5.1
149.02307	1.3
152.01025	1.9
153.01831	3.1
160.03903	2.1
161.04562	1.3
162.05548	10.0
163.05807	0.9
164.04616	1.1
172.03932	8.5
173.04585	5.3
174.02040	1.3
174.05510	4.2
177.01805	1.0
179.03302	1.0
182.04552	2.6
183.05261	1.5
184.06091	6.0
188.03482	5.5
191.05573	12.2
193.01407	1.1
203.05827	21.6
204.06606	18.2
205.07382	48.5
206.08029	6.4
208.03841	2.0
208.06075	8.2
209.06380	1.1
219.05394	4.9
220.06065	2.0
223.06178	5.2
236.05643	6.8
237.06412	38.1
238.06772	2.3
253.09872	1.7
254.08229	1.2
265.09772	1.5
267.06686	5.1
267.11365	2.6
268.12094	3.0
271.11005	1.0
279.07764	2.0
281.09430	1.0
283.10846	3.8
293.04709	1.4
293.09302	3.9
294.10049	3.6
295.10892	12.4
297.08768	1.4
311.06036	1.6
311.10251	1.5
313.11954	18.0
314.12250	2.4
315.09836	1.6
315.13452	27.9
316.13684	2.8
325.11914	9.1
326.08841	1.8
326.12375	1.2
327.13495	100.0
328.13867	11.7
337.03540	1.9
343.13000	15.6
345.10529	2.0
345.14560	32.3
346.14841	2.9
390.18130	1.6
407.15884	1.3
408.19180	1.4
424.15115	1.8
434.17441	8.0
435.17068	1.1
438.16699	1.3
448.18332	1.3
452.18207	17.5
453.17535	3.8
456.17529	2.4
466.19919	2.8
478.16251	4.3
484.20547	1.9
496.17273	26.6
497.17700	4.6
510.18839	6.7
511.18948	1.4
528.19855	19.4
529.20215	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73893	1.0
57.03328	1.1
57.67960	1.2
59.01253	23.1
71.01270	5.4
71.38441	2.4
73.02821	3.0
76.89775	1.0
80.96380	1.2
81.03285	1.6
83.01273	1.2
85.02818	1.6
86.82162	1.1
87.00751	1.1
89.02318	2.0
89.72556	1.1
93.03307	1.9
93.21438	1.1
95.04902	3.9
101.02315	5.0
109.02866	1.0
110.02342	1.5
110.06000	7.4
112.03913	4.2
113.02299	1.6
118.06506	4.8
122.06012	24.2
123.03159	9.5
123.04430	1.7
124.03904	4.7
124.53800	1.2
128.21965	1.2
138.05505	38.8
144.04451	9.8
146.06023	75.8
147.06337	2.7
162.05521	6.7
164.80402	1.1
171.51018	1.0
172.03938	7.2
173.04643	4.6
174.05502	2.9
178.13962	1.1
179.03374	1.0
182.04539	2.9
184.06059	4.3
188.03435	3.8
191.05562	5.0
192.06514	1.6
203.05798	21.9
204.06584	16.1
205.07365	49.7
206.08018	7.0
208.06117	6.7
219.05266	4.3
220.06065	1.8
236.05659	6.3
237.06374	31.1
238.06723	1.7
246.15804	1.6
253.09810	2.5
257.46335	1.4
259.02948	1.1
267.11331	2.2
268.12311	2.6
279.07697	1.9
283.10864	2.3
293.09216	3.3
294.10144	3.1
295.10950	8.5
311.10294	1.3
313.11932	16.1
314.12238	1.8
315.13495	28.8
316.13763	2.6
325.11902	7.5
326.08978	1.7
327.13483	100.0
328.13782	9.4
343.12970	17.9
344.13388	2.1
345.14539	32.9
346.14767	2.8
434.17181	7.0
452.18250	14.0
453.17548	3.3
456.17853	2.9
466.19601	4.3
478.16153	6.6
484.20755	3.4
496.17288	24.6
497.17545	4.0
510.18835	5.8
511.18573	1.4
528.19843	19.8
529.19904	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03819	1.3
51.05447	1.1
58.42675	1.3
59.01254	19.5
69.45509	1.1
71.01243	7.0
72.99194	2.1
73.02821	2.9
81.03326	1.7
83.01263	1.8
84.98688	1.2
85.02831	3.0
87.00768	2.4
89.02320	3.7
89.24625	1.3
93.03346	3.8
95.01240	2.0
95.04911	4.6
96.95933	2.1
99.00790	3.2
101.02333	4.0
107.03648	1.4
109.02856	4.8
110.02354	1.7
110.05978	8.2
111.00745	1.5
111.04454	1.3
112.03899	6.4
113.02337	3.0
118.06516	6.5
121.02842	2.0
122.06020	31.9
123.00770	4.1
123.03181	15.2
123.04439	2.7
124.03987	7.3
125.02335	4.3
135.04404	3.3
137.02362	3.0
138.05511	53.0
139.00349	1.5
144.04475	13.2
146.06029	100.0
147.06366	3.8
149.02304	1.9
151.00275	2.7
152.01091	2.8
153.01843	4.2
154.99762	1.8
156.06558	1.8
161.02266	1.7
161.04645	2.7
162.05527	11.3
163.44170	1.4
166.99762	2.6
168.00562	1.8
172.03952	7.5
173.04634	7.5
174.01675	10.6
174.05583	2.9
176.07074	1.5
177.01868	2.2
178.99811	1.4
179.03441	1.7
181.01372	2.4
182.04477	2.2
183.05255	1.7
184.06126	7.5
187.03970	2.5
188.03423	6.6
189.01852	2.0
190.04967	4.3
191.05557	13.0
193.01358	2.3
203.05791	19.8
204.06570	19.5
205.07379	56.1
206.08032	7.7
208.06041	8.3
209.00908	1.3
209.06697	1.4
219.03018	2.1
219.05324	6.6
220.06064	3.6
236.05553	6.7
237.06398	35.1
238.06754	1.9
239.08286	1.5
240.06822	1.9
243.03027	1.7
253.09911	3.9
267.11359	5.7
268.12173	2.7
271.02423	2.4
279.07764	3.7
283.10928	5.7
287.02020	2.8
293.09308	8.0
294.10178	7.5
294.13168	1.4
295.10880	14.1
296.11551	1.6
297.09164	1.7
297.12466	4.7
300.02969	1.8
300.11273	2.3
303.01492	1.8
311.10495	1.9
312.10928	1.7
313.11954	29.6
314.12378	2.6
315.01318	2.1
315.13486	27.8
316.02325	1.7
316.13992	3.7
325.11935	7.7
326.09122	3.4
327.13513	97.6
328.13837	12.0
337.03479	2.2
343.12918	19.8
344.13190	2.4
345.10568	2.0
345.14566	34.3
346.14825	3.3
349.04785	2.9
378.22812	1.4
390.18500	2.7
404.16245	2.1
416.16141	2.8
424.15457	1.7
434.17325	18.0
435.17349	2.9
452.18201	23.4
453.17804	4.9
456.17752	3.0
463.08643	1.7
466.19717	2.7
478.07635	2.3
478.16180	10.0
479.08041	2.8
484.21295	2.9
496.17273	26.6
497.17511	5.3
510.18719	12.3
511.18649	4.1
528.09076	1.8
528.10706	2.0
528.19769	24.8
529.09454	3.1
529.19635	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96047	1.3
57.49212	1.5
59.01253	36.9
61.98703	1.7
67.01747	1.8
69.54302	12.4
70.76045	1.4
71.01257	12.1
72.99157	1.9
73.02814	4.7
78.95777	4.6
83.01237	2.6
85.02826	7.7
87.00734	4.6
89.02312	7.0
90.05083	1.9
90.98458	1.5
93.03329	6.7
96.95875	4.7
99.00770	2.0
99.04361	1.7
101.02331	7.0
101.80118	1.4
108.02032	4.5
109.02839	3.9
113.02315	6.0
116.92792	1.8
119.03453	1.7
119.04985	1.9
121.02817	2.8
122.06005	6.6
123.03146	2.9
123.04382	3.0
124.07560	3.5
125.02303	3.0
127.00213	1.6
135.04391	6.0
137.02306	4.3
138.05513	10.8
146.06020	8.9
151.03998	3.4
152.01041	5.4
153.01863	2.4
158.69107	1.5
160.03905	2.7
161.02321	3.9
161.04472	2.3
173.04457	7.7
179.03387	3.2
184.06050	2.2
190.04944	2.7
191.05563	23.9
203.05739	2.8
204.06540	1.9
205.07368	3.8
218.08905	1.4
237.06424	2.2
240.09082	1.8
241.09703	2.8
253.09723	5.9
267.07718	2.3
267.11206	2.1
280.08264	2.1
281.09473	1.7
283.10812	2.1
293.09222	2.3
294.10059	3.4
295.10828	5.0
296.11453	1.9
297.08939	2.9
297.12427	5.9
298.09689	3.0
301.20490	1.7
311.10437	2.1
313.11737	3.6
315.13638	2.7
327.09912	3.0
327.13538	6.4
328.10342	1.8
337.03439	1.6
341.11572	2.7
343.12894	3.9
345.11041	1.6
345.14490	8.4
360.17261	4.1
365.15091	4.0
390.18323	1.8
404.16135	16.2
405.16647	2.7
416.16220	5.0
434.17148	14.7
435.18054	2.6
442.13556	1.7
452.18317	12.8
453.18344	2.2
478.16272	5.0
496.17267	16.3
497.17505	3.0
510.18719	16.3
511.18738	2.3
525.09320	1.7
528.19836	100.0
529.19647	18.3
529.27069	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96047	1.3
57.49212	1.5
59.01253	36.9
61.98703	1.7
67.01747	1.8
69.54302	12.4
70.76045	1.4
71.01257	12.1
72.99157	1.9
73.02814	4.7
78.95777	4.6
83.01237	2.6
85.02826	7.7
87.00734	4.6
89.02312	7.0
90.05083	1.9
90.98458	1.5
93.03329	6.7
96.95875	4.7
99.00770	2.0
99.04361	1.7
101.02331	7.0
101.80118	1.4
108.02032	4.5
109.02839	3.9
113.02315	6.0
116.92792	1.8
119.03453	1.7
119.04985	1.9
121.02817	2.8
122.06005	6.6
123.03146	2.9
123.04382	3.0
124.07560	3.5
125.02303	3.0
127.00213	1.6
135.04391	6.0
137.02306	4.3
138.05513	10.8
146.06020	8.9
151.03998	3.4
152.01041	5.4
153.01863	2.4
158.69107	1.5
160.03905	2.7
161.02321	3.9
161.04472	2.3
173.04457	7.7
179.03387	3.2
184.06050	2.2
190.04944	2.7
191.05563	23.9
203.05739	2.8
204.06540	1.9
205.07368	3.8
218.08905	1.4
237.06424	2.2
240.09082	1.8
241.09703	2.8
253.09723	5.9
267.07718	2.3
267.11206	2.1
280.08264	2.1
281.09473	1.7
283.10812	2.1
293.09222	2.3
294.10059	3.4
295.10828	5.0
296.11453	1.9
297.08939	2.9
297.12427	5.9
298.09689	3.0
301.20490	1.7
311.10437	2.1
313.11737	3.6
315.13638	2.7
327.09912	3.0
327.13538	6.4
328.10342	1.8
337.03439	1.6
341.11572	2.7
343.12894	3.9
345.11041	1.6
345.14490	8.4
360.17261	4.1
365.15091	4.0
390.18323	1.8
404.16135	16.2
405.16647	2.7
416.16220	5.0
434.17148	14.7
435.18054	2.6
442.13556	1.7
452.18317	12.8
453.18344	2.2
478.16272	5.0
496.17267	16.3
497.17505	3.0
510.18719	16.3
511.18738	2.3
525.09320	1.7
528.19836	100.0
529.19647	18.3
529.27069	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.2
58.00471	0.2
59.01252	5.9
63.86440	0.2
67.01756	0.2
71.01257	4.3
71.58018	0.2
72.99180	0.3
73.02820	0.6
83.01247	0.4
83.04910	0.2
85.02837	1.1
87.00746	0.6
89.02320	3.9
91.05400	0.3
93.03354	0.4
95.01248	0.5
97.06453	0.2
99.00782	0.2
101.01695	0.3
101.02324	4.4
101.03905	0.2
109.02833	0.5
113.02338	1.9
114.02641	0.2
119.03450	1.0
119.04916	5.1
121.02828	0.7
125.05972	0.5
131.03424	0.3
135.04422	4.4
136.04767	0.3
137.05852	0.2
143.03427	0.4
147.04428	0.3
148.08838	0.7
149.04465	0.2
149.06017	0.2
150.10371	0.6
151.11203	0.4
159.08035	0.2
159.90605	0.2
161.04463	1.9
161.05986	1.1
163.11208	0.7
165.05489	0.3
165.12770	14.7
166.13098	0.7
171.10172	0.3
173.04456	0.2
175.07652	0.2
175.11174	0.4
176.11974	0.2
177.12648	0.3
179.05504	0.5
179.07062	0.6
191.05539	0.6
191.14290	0.6
201.09177	1.8
203.07027	0.4
217.15900	0.4
221.08160	1.1
222.08606	0.2
235.08234	0.2
245.19160	0.2
247.20668	8.0
248.21001	0.7
253.09270	16.1
254.09561	1.0
273.18600	4.6
274.18951	0.5
291.19659	100.0
292.19983	10.0
323.12848	5.2
324.13135	0.8
383.18686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01251	6.8
69.92992	0.6
69.93398	1.7
70.50996	0.3
71.01251	4.3
73.02830	0.8
83.04888	0.5
85.02816	1.0
87.00784	0.5
89.02311	3.5
95.01265	0.5
95.04929	0.7
95.79105	0.4
97.06488	0.5
98.19804	0.7
101.02312	4.0
109.06435	0.4
111.08050	9.3
113.02322	1.9
113.09633	0.5
119.03411	0.9
135.84880	0.4
137.09627	0.9
143.03398	0.6
161.04468	1.5
161.20552	0.4
167.10641	1.9
177.12822	1.8
179.05463	0.6
179.10678	1.6
193.15988	0.4
195.13829	6.2
203.14368	0.5
235.08008	0.6
247.20697	2.1
253.09265	15.9
253.11899	0.8
254.09682	0.4
260.23108	0.5
273.18530	1.6
291.19659	100.0
292.19995	9.0
344.56595	0.4
472.79712	0.4
527.28729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01251	6.8
69.92992	0.6
69.93398	1.7
70.50996	0.3
71.01251	4.3
73.02830	0.8
83.04888	0.5
85.02816	1.0
87.00784	0.5
89.02311	3.5
95.01265	0.5
95.04929	0.7
95.79105	0.4
97.06488	0.5
98.19804	0.7
101.02312	4.0
109.06435	0.4
111.08050	9.3
113.02322	1.9
113.09633	0.5
119.03411	0.9
135.84880	0.4
137.09627	0.9
143.03398	0.6
161.04468	1.5
161.20552	0.4
167.10641	1.9
177.12822	1.8
179.05463	0.6
179.10678	1.6
193.15988	0.4
195.13829	6.2
203.14368	0.5
235.08008	0.6
247.20697	2.1
253.09265	15.9
253.11899	0.8
254.09682	0.4
260.23108	0.5
273.18530	1.6
291.19659	100.0
292.19995	9.0
344.56595	0.4
472.79712	0.4
527.28729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.3
57.03311	1.0
58.97258	0.3
59.01249	6.8
63.82447	0.3
67.01756	0.3
69.03326	0.4
71.01250	4.0
73.02808	0.9
81.03330	0.3
83.01243	0.3
83.04893	0.5
85.02830	1.0
87.00761	0.6
89.02316	3.6
95.01291	0.3
95.04896	0.3
96.41705	0.3
97.02801	0.3
97.06479	0.5
101.02319	4.6
102.38515	0.3
106.99738	0.3
109.06455	0.5
111.08053	6.5
113.02330	2.2
113.09608	0.3
119.03394	1.1
121.10131	2.1
123.08070	0.5
125.09588	1.7
126.39364	0.3
131.07091	0.3
131.44804	0.3
137.09616	0.5
147.08031	0.4
149.09615	0.5
161.04486	1.6
165.12888	0.3
167.10666	1.2
171.10185	1.3
177.12801	1.5
179.05547	0.7
179.10681	1.4
182.10474	0.3
183.13908	0.3
183.74057	0.3
185.11743	2.9
191.05531	0.6
195.13849	4.2
197.11755	0.7
203.14357	0.6
209.11731	0.3
211.13354	0.3
217.10744	0.4
229.68996	0.3
231.10896	0.3
235.08215	0.4
247.20529	1.9
248.30222	0.3
253.09264	16.5
254.09642	0.6
263.20178	0.5
273.18585	1.9
291.19656	100.0
292.20004	9.9
334.31610	0.3
470.76572	0.3
485.96509	0.3
527.27997	1.9
528.28833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39869	0.3
59.01254	5.0
62.93912	0.3
69.29494	2.8
69.29922	1.1
71.01257	1.1
72.99192	0.5
73.02797	0.7
79.61639	0.3
83.64328	0.3
83.69537	0.4
85.02814	0.7
89.02316	0.7
93.03337	1.6
101.02330	0.9
107.04942	0.5
109.02835	0.8
119.04915	100.0
120.05230	4.1
121.02792	0.6
133.02859	0.4
135.04439	0.7
137.02364	0.5
144.05705	0.4
145.02798	0.5
153.01817	0.6
157.06538	2.7
159.08052	6.7
161.02377	0.4
173.04518	0.5
177.09216	0.5
187.03934	0.4
191.05531	1.3
201.05432	0.6
203.07072	14.7
204.07339	0.6
221.08141	25.8
222.08533	1.2
267.06793	0.6
279.06381	0.4
286.84839	0.4
323.12872	85.7
324.13196	10.5
324.17032	0.4
365.13937	0.8
467.17346	0.6
474.72372	0.4
527.19116	1.6
527.28290	0.9
528.19806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68420	0.9
55.01741	1.3
57.03316	3.5
59.01253	20.7
68.99699	1.2
69.03343	1.2
69.65034	0.9
71.01258	24.0
71.01656	1.3
71.58029	2.0
72.99180	6.5
73.02812	1.5
75.00747	23.3
78.95759	2.8
83.01241	1.5
85.02827	31.2
86.39368	1.0
87.00764	8.7
89.02316	4.3
95.01279	5.8
99.00763	14.4
103.00247	2.9
112.01542	1.4
113.02333	43.3
115.00249	1.3
117.01845	3.2
129.01813	1.5
131.03436	2.2
139.00273	1.2
152.99466	4.8
175.02406	5.4
185.07239	1.0
205.07132	3.7
223.08257	1.9
231.05095	2.0
232.25339	1.0
232.79799	1.0
249.06093	8.9
267.07193	12.4
277.21735	70.2
278.22095	7.4
350.68384	1.1
353.72461	1.0
368.37344	1.1
509.27661	2.4
527.28625	100.0
528.28839	14.7
536.49976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50010	0.4
56.03286	0.5
59.01252	3.0
61.25682	0.4
65.03830	1.0
65.77436	0.4
67.01741	0.9
71.01249	0.9
77.41592	0.4
93.03333	1.7
107.04893	1.0
108.02069	1.8
109.02840	10.6
110.03149	0.5
121.02843	69.9
122.03088	2.3
123.04391	1.0
125.09585	0.5
133.02852	17.4
134.03615	0.9
135.04416	3.5
142.87433	0.4
145.02818	0.7
146.03645	11.3
146.04802	0.6
147.04282	0.5
177.09132	4.6
178.02594	3.2
183.04393	0.6
185.05965	0.5
186.06828	0.5
187.07619	0.6
189.09140	16.4
190.09474	0.8
201.09145	42.3
202.09511	2.9
203.10875	0.4
209.06050	2.8
211.03960	0.9
216.30064	0.4
224.07976	0.4
225.05508	0.5
225.11246	0.5
237.05402	0.7
251.81816	0.4
253.05028	12.3
253.09018	0.6
254.05766	3.7
265.04895	0.5
267.06738	1.0
273.18698	0.5
279.06702	0.8
279.13879	1.6
291.19748	2.1
321.11334	0.5
323.12869	100.0
324.13196	13.2
324.17090	0.6
347.12997	0.7
365.13904	1.6
428.18921	0.5
453.84210	0.5
527.19202	4.4
527.27362	0.5
528.19550	1.0
528.28998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
59.01251	4.7
63.96111	1.4
69.03323	0.7
69.30588	1.3
69.31006	2.3
71.01253	7.5
71.83546	0.3
72.99150	0.6
73.02816	1.5
78.95780	0.9
78.98464	5.4
79.95604	9.4
80.96393	63.8
81.03320	0.5
83.01273	0.5
85.02826	3.4
87.00738	2.2
87.04415	0.4
89.02315	0.4
93.03352	0.6
94.97961	15.8
96.95885	1.4
97.02852	1.5
97.06448	0.6
99.00761	0.7
99.04382	0.6
101.02323	2.8
106.97971	3.2
109.02835	0.5
113.02322	0.8
113.95176	0.3
118.76860	0.4
122.97469	3.0
125.02334	2.8
127.03932	0.6
134.97490	4.4
135.04437	1.0
136.99062	1.4
143.03378	0.5
148.99052	6.4
152.01137	0.5
152.98540	5.0
164.98547	13.9
165.12793	0.6
167.00084	0.5
183.13846	5.8
188.98528	0.4
191.05533	1.6
192.81465	0.4
206.99623	2.7
225.00702	16.7
226.01042	0.8
227.12881	0.5
299.04388	2.0
301.16336	0.5
357.86826	0.3
393.35696	0.3
439.97369	0.4
456.41873	0.4
483.18930	0.9
527.18024	100.0
528.18329	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54514	0.5
57.03320	1.0
59.01251	17.1
63.04995	0.4
63.96107	0.7
67.43477	0.4
67.63274	0.5
69.03337	0.7
69.44900	4.3
71.01250	8.3
72.99171	0.9
73.02815	3.9
75.00757	1.3
78.98459	4.5
79.95608	7.8
80.96390	47.8
81.03333	1.3
83.01268	1.2
85.02822	3.2
87.00748	2.2
89.02331	1.4
93.03343	1.6
93.70879	0.5
94.97957	11.8
96.95909	0.6
97.02821	1.7
98.20522	0.8
99.00768	1.3
99.04405	0.7
101.02316	4.5
106.97953	2.8
108.02057	0.9
109.02831	1.1
113.02330	1.6
113.05935	0.9
115.00243	0.5
115.03973	0.5
118.87682	0.4
118.97886	0.5
119.03407	0.8
121.02866	0.7
122.97460	4.4
125.02337	2.1
127.03916	0.8
128.91690	0.5
131.25665	0.4
134.97462	3.5
135.04433	1.4
136.99019	1.1
137.02316	0.7
139.03908	1.5
148.99048	5.0
152.01015	1.0
152.98518	5.8
153.01883	0.8
161.02356	0.9
161.04440	0.7
161.34209	0.4
163.03854	0.5
164.98529	9.8
166.16597	0.4
173.04521	0.9
182.99567	1.7
183.13873	3.6
186.09637	0.4
187.01360	1.4
191.05536	3.4
199.04929	0.6
200.05519	0.5
202.79933	0.5
206.99634	3.2
225.00691	15.6
241.06013	0.8
243.01775	1.6
245.15579	0.5
255.07771	0.9
256.07867	1.2
257.05569	0.9
258.06250	1.1
269.05527	0.6
283.07211	5.8
284.07581	7.4
285.08215	0.5
299.04453	2.3
326.08856	2.3
327.09308	2.4
450.16644	3.4
451.17047	16.1
452.17297	1.6
453.42810	0.5
483.19147	0.8
509.16849	0.8
526.18713	0.9
527.18042	100.0
528.18317	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20431	0.4
57.03315	0.6
59.01239	1.0
64.05032	0.4
71.06407	0.8
73.89721	0.4
75.96819	0.4
85.02856	0.4
96.95858	0.5
97.06426	0.4
111.08047	1.9
113.09692	0.4
123.08051	0.6
125.09617	3.3
127.11175	2.3
137.09651	3.2
139.11156	0.8
151.11125	0.7
153.09087	1.4
155.10686	28.9
156.11018	1.1
165.09087	0.4
171.10184	30.7
172.10558	0.9
199.09705	5.7
200.10013	0.6
201.11255	9.6
209.29012	0.4
211.79900	0.4
213.11270	5.9
217.10759	100.0
218.11107	5.4
227.12750	0.5
245.19092	0.6
289.17966	2.6
307.19110	5.3
325.20200	23.2
326.20520	1.8
432.59686	0.5
523.20599	0.4
525.30743	8.2
526.31049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3067
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
54.79327	0.4
57.03330	0.8
59.01252	100.0
60.01588	1.5
65.22971	0.4
69.75927	0.8
69.76339	2.1
71.01254	13.7
72.99167	0.7
73.02828	3.5
76.14496	0.4
81.03363	0.5
81.29435	0.4
83.01282	1.5
85.02825	4.9
87.00746	1.2
89.02313	6.7
89.02824	0.5
93.03354	1.0
93.96327	0.4
95.01290	1.6
97.06483	0.9
99.00761	0.9
101.02327	7.5
109.02857	0.8
111.08051	0.4
111.62282	0.4
113.02335	9.1
113.03064	0.6
119.03388	2.9
125.02337	0.4
126.05574	0.4
129.62590	0.5
131.03403	0.5
135.04430	1.0
137.02365	0.5
143.03441	1.1
148.05205	0.8
161.02397	0.5
161.04512	2.5
163.07626	1.3
163.11203	0.8
173.04514	1.3
179.05585	1.0
191.05533	2.5
191.14336	0.7
211.03905	0.5
245.19203	0.4
253.09335	1.2
265.08380	0.4
289.18091	4.8
290.18338	0.6
361.22284	0.5
450.17053	0.6
465.28714	2.2
483.29688	6.0
484.30429	0.9
493.18356	0.5
525.30945	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23972	0.4
57.03315	0.9
59.01257	8.8
61.98697	0.4
62.64849	0.4
68.99682	0.7
69.03318	1.2
71.01260	3.9
71.58488	0.7
72.00383	0.4
72.99153	0.4
73.02827	1.5
78.95774	0.7
81.03329	1.5
83.01245	0.6
83.04921	0.7
85.02827	5.7
87.00756	0.6
89.02327	0.7
89.60497	0.4
93.03332	2.1
95.01267	4.7
96.95927	0.4
97.02830	0.6
97.06416	0.5
99.00751	0.8
99.08015	0.4
101.02348	2.3
107.04929	0.5
108.02055	81.6
109.02851	42.2
110.03171	0.9
111.04367	0.5
111.08054	0.9
113.02322	2.1
121.02850	1.2
123.00766	3.4
123.04398	1.0
125.02317	1.0
133.02814	0.6
135.04391	2.0
137.02370	0.9
148.05176	0.6
151.03925	1.7
152.01062	73.0
153.01854	22.5
154.02203	0.9
161.02348	0.7
161.04504	1.0
163.03934	1.4
163.07527	0.6
164.92827	0.4
165.01900	0.6
165.12772	5.6
173.04503	1.5
179.03387	0.6
183.12187	0.6
183.13834	11.1
184.14137	0.7
191.05551	2.3
207.13878	0.5
209.11775	1.6
227.12749	1.4
247.75311	0.4
251.12823	0.5
266.04892	0.4
289.18066	0.6
293.13773	1.4
315.07196	6.2
383.04282	0.4
481.20807	4.8
482.20850	0.6
483.29932	0.5
507.18756	7.9
508.19171	0.9
525.19775	100.0
526.20093	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13943	0.9
59.01252	11.8
63.81315	0.9
71.01250	4.8
73.02806	2.6
77.17233	1.1
78.95785	1.8
80.04934	1.1
81.86723	1.1
84.00272	1.1
85.02808	2.6
89.02309	1.1
90.74271	1.0
93.03317	1.4
94.06542	2.2
99.00777	1.1
101.02312	2.3
106.06532	1.4
107.03622	1.2
108.02024	2.0
108.04427	4.2
108.08057	1.2
109.02795	1.9
110.06005	4.9
113.02359	2.0
122.06023	18.7
132.04424	3.3
134.06053	5.4
135.04417	3.0
136.07574	4.5
146.05981	2.9
148.07625	1.1
150.05533	1.4
152.07085	34.0
152.99464	1.5
159.06731	1.2
160.03922	1.5
161.04681	1.7
162.05525	2.2
173.04532	2.6
174.05475	1.4
180.06593	13.3
186.05455	1.4
188.07060	6.8
190.04985	1.9
191.05544	4.9
201.10211	1.9
203.11868	1.5
210.07886	1.1
215.11823	1.8
223.08734	4.7
224.09514	3.3
236.09497	1.3
237.10295	4.4
238.07451	1.7
239.08150	1.3
239.11858	16.6
240.12413	1.7
241.13388	1.8
249.10367	2.7
251.08211	3.5
251.11826	3.9
252.08817	2.0
253.09576	1.8
255.07779	1.2
263.11914	1.6
264.09036	2.5
265.09805	9.7
266.10504	2.6
267.07657	1.5
267.11444	5.3
268.08490	1.4
279.07718	3.6
279.11417	6.6
280.08939	2.2
280.12131	5.5
281.09375	1.5
281.12881	1.0
283.10898	16.4
284.11240	1.8
290.10577	1.1
291.08127	1.2
291.11490	3.6
292.08405	1.9
293.09302	11.2
294.09787	1.8
295.10971	4.2
298.09583	1.3
307.10889	15.4
308.11676	27.2
309.12103	4.2
311.10193	2.4
312.11249	2.0
340.10675	11.8
341.11279	2.9
351.09952	1.6
352.10233	1.8
406.17844	1.9
418.17572	4.6
420.19354	1.4
430.17703	27.8
431.17932	3.9
442.51111	1.2
448.18799	55.3
449.19116	8.2
474.16998	5.1
475.16922	1.5
480.25198	3.5
492.17761	100.0
493.18021	12.9
506.19189	1.3
507.19778	1.3
524.20490	21.0
524.28040	0.8
525.19739	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22222	2.1
55.01746	3.7
57.03327	3.4
59.01251	68.5
61.78863	2.3
69.03353	2.4
69.58078	16.7
71.01254	46.5
72.01595	2.0
72.99198	4.9
73.02818	18.6
75.00758	5.1
83.01273	7.8
85.02822	22.4
87.00759	8.8
89.02332	13.8
89.79018	1.9
93.03345	8.5
95.01272	4.1
96.95912	2.1
98.19858	3.7
99.00767	7.9
101.02322	33.7
108.02089	3.6
109.02885	3.4
111.00767	2.0
113.02329	21.5
113.05958	2.3
118.98017	2.9
119.03362	4.5
119.04955	3.0
121.02865	3.1
122.06117	2.1
123.00819	2.2
123.04436	2.0
123.08075	2.1
125.02340	7.0
133.02797	2.7
135.04440	6.7
137.02388	7.2
143.03439	3.6
145.02811	2.9
148.03955	8.5
149.02354	2.5
151.00241	4.1
152.01079	4.9
159.02940	2.9
161.02403	4.5
161.04471	14.3
163.03993	3.2
173.04512	5.6
173.09338	2.1
179.03497	6.0
191.05553	28.3
191.07137	2.5
192.02882	3.0
206.04532	2.3
229.05048	17.3
253.05222	2.7
301.20377	4.5
331.17627	13.5
429.21924	2.4
445.24500	8.6
446.24997	2.8
463.21399	69.5
464.22443	8.9
481.26700	9.0
505.26926	6.0
523.14575	7.4
523.27832	100.0
524.15698	3.2
524.28192	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94229	0.6
54.00300	0.6
55.01752	2.9
57.03321	4.8
58.00463	1.4
59.01251	43.8
60.01608	0.7
61.98695	1.8
67.01760	0.9
68.99667	0.7
69.03327	1.6
70.02348	0.6
71.01256	47.0
71.58440	0.7
71.58870	1.0
72.01579	0.9
72.99177	2.5
73.02818	14.3
75.00757	1.2
78.95772	2.3
81.03336	2.4
83.01258	7.3
83.04896	2.9
85.02824	20.2
87.00737	4.2
87.04386	1.1
89.02321	12.9
89.77322	0.6
93.03367	3.5
95.01260	3.9
97.02825	1.2
99.00757	4.8
101.02328	31.5
105.06939	0.9
107.04929	1.4
108.02092	1.7
108.05220	0.7
109.02821	3.0
111.00786	2.3
113.02328	16.8
113.03067	1.2
116.14943	0.6
119.03408	5.1
119.04911	1.5
121.02876	1.5
122.03599	0.9
122.06019	1.5
123.04422	3.3
125.02282	1.1
129.01863	1.3
131.03481	0.9
133.02806	1.1
134.06007	1.1
135.04417	9.9
136.04771	1.6
137.02351	2.2
143.03398	1.4
143.35014	0.7
147.04416	1.6
148.05078	0.6
149.05997	6.3
150.06372	3.2
151.06610	1.0
152.01088	1.7
152.07068	1.2
153.01855	0.8
153.05457	7.8
154.05844	5.1
155.06099	1.7
159.02910	2.9
159.04404	1.2
160.05222	1.5
161.02359	2.0
161.04480	7.9
161.05983	7.1
162.06355	3.5
163.03909	1.1
163.06512	1.2
165.05502	4.7
166.05768	2.1
167.06024	1.1
173.04498	3.8
173.05804	0.8
175.07680	0.9
176.07834	0.9
177.01930	0.9
177.05490	1.1
178.02730	0.6
179.03510	2.4
179.07056	30.9
180.07451	21.6
181.07617	10.6
183.13914	1.8
188.07114	0.8
190.35170	0.7
191.05544	8.3
191.07109	1.0
192.05821	0.9
193.08609	4.3
194.09052	2.5
195.09171	1.1
197.04514	1.3
202.13786	0.6
225.05518	1.9
227.12778	1.1
243.17157	1.0
265.09998	0.7
269.04620	1.7
279.11392	0.9
291.68427	0.7
293.09436	0.9
307.10837	1.5
308.11624	1.0
315.12430	0.8
315.25412	1.6
341.12558	0.8
342.12747	0.9
343.12750	1.0
359.14963	6.8
359.28082	1.0
360.15369	8.0
361.15656	18.8
361.29596	28.5
362.16022	1.3
362.29800	4.4
375.27734	1.6
423.11011	1.9
430.17691	1.2
448.18781	7.7
463.29269	0.9
492.17712	5.3
523.19250	2.4
523.34967	100.0
524.20215	4.6
524.35431	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92218	0.4
52.85973	0.3
53.83293	0.3
55.01765	1.3
57.03321	1.2
59.01253	100.0
60.01600	1.4
60.97477	0.3
61.98687	1.5
67.55363	0.3
69.03329	0.5
69.35577	0.7
69.35986	2.3
71.01257	15.5
71.62063	0.3
72.01600	0.4
72.99200	0.7
73.02818	7.0
73.30318	0.3
83.01257	3.5
83.04905	0.5
85.02824	9.5
85.99985	0.7
87.00765	1.1
89.02342	1.3
93.03368	0.5
95.01258	1.8
97.02855	1.3
99.00745	2.6
101.02325	13.9
109.02848	0.6
111.00778	0.9
112.01530	0.7
113.02341	8.0
115.03943	0.4
123.04483	0.5
124.01566	0.4
125.02354	1.3
127.03844	0.3
129.01894	0.5
135.04420	1.6
143.03355	1.4
147.04500	0.3
149.05884	0.3
159.02895	2.1
161.04477	5.5
161.05859	0.7
161.22047	0.3
162.04861	0.5
173.04349	0.4
174.94333	0.3
175.03947	0.3
175.07617	0.4
191.05571	1.8
197.97604	0.3
211.16885	0.4
213.18619	1.1
215.07060	0.3
216.33144	0.3
227.20454	0.3
239.20314	0.3
242.86093	0.3
269.63638	0.4
297.56354	0.3
299.12366	0.4
299.26077	0.9
315.25320	1.8
317.27020	4.0
413.28629	0.4
431.30194	0.5
459.29691	0.7
461.31229	35.6
462.31610	5.0
479.32297	14.8
479.39340	0.5
480.32657	2.0
514.03741	0.3
521.21014	0.5
521.32300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
55.41931	0.2
57.03316	0.9
58.00460	0.6
59.01254	16.3
61.98689	1.5
67.29211	0.3
69.02739	0.2
69.03316	0.5
71.01258	9.6
72.99187	1.1
73.02817	2.2
75.28906	0.2
78.95773	0.7
81.03395	0.3
83.01250	1.5
85.02827	3.9
87.00748	0.9
88.34244	0.2
89.02322	3.9
93.03322	0.4
95.01262	1.0
99.00747	0.7
101.02326	6.1
109.02814	0.7
111.00760	0.5
113.02332	2.8
119.03390	0.9
123.04416	0.2
125.02336	0.5
129.01775	0.3
135.04396	1.0
149.05980	0.3
161.02339	0.3
161.04445	0.3
173.04498	0.6
174.72020	0.2
175.03850	0.3
181.46846	0.2
185.06136	0.3
191.05554	2.4
224.62843	0.2
229.62289	0.3
243.67374	0.2
271.22571	0.3
278.43042	0.3
295.22772	0.3
311.22400	0.3
311.25858	0.4
313.23862	3.0
318.35959	0.3
341.26923	4.0
342.27466	0.3
357.26578	0.4
359.28033	21.7
360.28424	2.6
461.31049	0.9
479.32330	0.5
503.32208	2.2
521.33301	100.0
522.33673	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44345	0.3
55.01757	1.1
57.03323	1.4
58.00455	1.2
59.01251	100.0
60.01588	7.1
61.01676	4.7
65.03838	0.9
66.04166	0.4
69.03330	1.2
71.01255	37.9
72.01587	5.5
72.99183	1.5
73.01696	2.5
73.02818	47.9
74.03152	7.4
75.00748	0.7
75.03233	3.2
78.95763	0.5
81.03336	0.3
83.01259	14.8
83.04907	0.6
84.01598	2.7
85.01708	1.1
85.02818	8.0
86.03154	0.8
87.00734	1.7
87.03228	0.4
89.02315	4.8
90.02667	0.8
91.02728	0.4
91.05412	6.2
92.05735	2.2
93.03336	2.3
94.03686	0.4
95.01265	1.3
96.01626	0.3
97.02840	0.9
98.19794	1.0
99.00756	2.0
99.04363	0.4
101.02322	34.4
101.81766	0.3
102.02650	7.4
103.02732	4.3
108.02048	0.5
109.02843	5.8
110.03143	1.8
111.00775	0.8
111.03329	0.5
111.04398	0.3
113.02330	11.2
114.02674	2.1
115.02784	0.6
119.03487	1.5
119.04910	9.2
120.05247	0.7
121.02856	3.4
121.03716	0.6
122.03181	1.3
125.02311	1.8
126.02692	0.4
131.03442	1.9
132.03786	0.4
133.02841	1.0
133.03810	0.6
134.03654	1.6
135.04420	30.0
136.04761	12.8
136.05550	0.2
137.02362	0.5
137.04947	5.4
143.03397	2.2
144.03706	0.9
147.04393	1.4
148.05136	0.5
149.04483	1.3
149.05946	0.6
150.04820	0.5
153.02003	0.4
155.03387	1.0
159.02992	0.5
159.04405	1.4
160.05083	0.7
161.04451	5.8
161.05667	0.6
162.04822	1.4
163.04961	1.3
173.04425	1.0
175.07535	0.7
176.07861	0.5
177.08115	0.3
179.03351	0.4
187.03960	0.5
187.07579	0.5
189.05386	0.4
191.05540	5.3
192.05815	0.6
203.05461	0.4
205.08568	0.4
209.11760	0.5
213.18523	1.1
215.07074	0.7
226.06264	0.4
232.26846	0.4
255.10185	0.8
282.08670	0.4
287.12970	0.6
297.11301	5.9
298.11682	7.2
299.12152	10.8
300.13007	0.6
315.25369	0.6
317.26889	2.8
344.39557	0.3
359.28220	0.7
365.14066	0.5
384.11203	0.3
397.16379	1.9
398.15948	0.5
399.15591	0.9
461.17410	0.7
461.31198	17.0
462.31522	2.1
462.37219	0.4
463.10376	0.3
479.18036	1.4
479.32288	9.0
480.32544	0.9
504.71017	0.4
521.19312	18.1
521.31738	2.0
522.19385	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.8
65.54700	1.5
69.50381	5.8
69.50807	5.3
78.95778	6.6
85.16708	1.3
86.98067	1.5
87.22243	1.4
95.04902	2.1
96.95907	4.9
98.20586	2.5
99.92462	1.7
105.03342	10.4
110.98396	1.9
115.91973	1.8
123.04417	2.2
132.02055	4.4
133.02852	43.5
134.03668	10.6
135.04407	4.8
137.02325	4.6
139.03915	1.9
148.05196	4.9
149.05981	1.8
152.99535	2.1
160.01570	28.5
161.02365	21.8
161.06035	2.7
175.03923	72.3
176.04326	3.9
177.01891	2.6
179.03409	2.2
179.89043	1.8
189.76543	1.4
193.04967	6.2
193.06540	1.5
193.90817	2.2
196.89406	5.0
233.07993	1.6
247.09755	1.9
266.52295	1.3
271.22806	8.5
275.12866	2.0
279.23260	2.2
289.14484	2.6
293.24692	2.8
317.17618	1.3
327.19791	2.7
331.19229	2.5
345.20767	5.3
347.25882	1.4
361.27402	3.6
415.24933	10.7
416.25012	2.2
429.26431	26.7
430.26602	2.0
433.25787	1.9
447.27512	45.4
448.27789	6.7
506.28650	3.1
521.31250	100.0
522.31482	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24730	0.7
52.54607	0.6
55.01763	1.5
57.03326	0.8
59.01251	87.2
60.01568	0.9
65.00204	1.5
65.87320	0.6
69.03330	0.8
69.23921	7.2
71.01253	13.7
72.99181	1.5
73.02809	5.1
75.00745	0.7
78.95769	1.0
81.03358	0.8
83.01261	3.2
85.02827	5.7
87.00776	2.0
89.02325	3.9
93.03358	1.4
95.01261	2.2
97.06454	0.8
98.20595	0.9
99.00777	2.3
101.02317	10.3
107.01309	1.2
108.02058	2.0
109.02814	3.7
109.99984	4.1
110.25494	0.6
111.00789	1.9
111.04441	0.8
111.08003	0.8
113.02325	4.3
119.03378	1.3
121.02846	1.2
123.00792	1.9
124.01560	1.9
125.02351	2.3
125.05938	0.6
125.09648	0.7
133.02829	1.3
133.93011	0.6
135.04442	2.8
136.98740	1.4
137.02339	1.3
137.11726	0.6
137.99515	1.7
139.00250	4.0
143.03429	1.5
147.04399	1.2
148.01456	0.7
149.02368	1.7
149.04506	0.8
149.05991	3.1
151.00311	3.9
152.01042	4.0
153.01903	1.6
159.04437	1.3
160.04872	0.9
161.04507	1.7
161.06029	1.6
163.00305	1.1
163.03911	1.1
164.01105	1.3
165.05466	1.6
165.99001	4.4
166.99789	2.9
171.04495	0.7
173.02560	0.7
173.04437	1.5
175.03822	0.6
176.01027	0.7
177.01889	0.7
178.99770	4.0
179.07120	0.9
187.03931	1.0
187.09735	0.6
189.01891	0.7
190.02641	0.8
191.03816	0.9
191.05534	4.4
197.02565	0.7
199.03973	2.3
201.01878	0.8
203.03435	1.1
214.02637	1.1
215.03523	1.2
216.04202	0.7
221.15446	0.7
226.02800	0.8
227.03459	2.5
229.01483	0.7
231.02881	1.3
239.16592	1.5
242.02190	2.2
243.02959	3.6
244.03659	0.9
255.03026	1.6
255.19659	0.9
259.02435	1.8
260.02985	0.7
261.49243	0.7
270.01624	2.7
271.02475	18.0
272.03006	3.6
273.03976	1.7
287.01990	8.0
288.02731	3.2
299.01956	12.6
300.02460	2.1
302.13565	0.8
308.84708	0.6
315.01544	1.0
315.12436	1.5
316.02246	31.5
317.02899	12.7
318.03268	0.8
355.10574	1.0
383.20764	6.3
383.47171	0.7
385.07709	0.6
389.21747	1.0
401.21768	6.5
407.56171	0.7
438.45950	0.7
443.22968	1.4
461.07068	1.9
461.23819	3.1
477.23178	4.6
479.24878	3.1
503.24988	7.1
504.25079	1.3
521.09338	32.6
521.26001	100.0
522.09491	6.1
522.26459	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
59.01254	15.4
60.01587	0.5
65.03831	3.0
66.04160	0.8
67.01766	1.0
67.52357	0.4
69.03320	0.5
69.88405	2.2
71.01255	5.8
72.99162	0.6
73.02793	0.7
79.05396	0.5
83.01247	0.6
85.02827	1.9
89.02319	5.0
91.05405	13.5
92.05752	4.7
93.03326	3.8
93.06075	0.5
94.03664	1.0
95.01257	0.6
96.70306	0.4
97.02810	0.4
101.02335	3.6
105.06965	2.1
107.04898	1.3
108.02068	1.7
109.02838	17.4
110.03175	6.2
111.03278	1.9
113.02312	2.4
117.06936	0.8
119.03382	2.5
119.04774	0.4
121.02847	11.2
121.06496	0.4
122.03127	3.2
123.03338	1.2
123.04388	1.7
134.03619	0.5
135.04417	100.0
136.04755	41.0
136.05869	0.8
137.04953	13.9
143.03334	0.4
147.04428	4.2
148.05237	6.0
149.05997	11.6
150.06233	0.4
152.01076	1.1
153.01910	0.4
153.04239	0.7
153.05482	12.2
154.05751	0.4
159.04431	1.2
160.05220	4.2
161.05994	11.5
162.06209	0.6
163.04004	0.5
163.07556	5.8
164.07890	2.0
165.05481	7.5
165.08142	0.7
166.05852	0.4
167.07065	1.3
168.07401	0.4
173.04506	0.9
175.07570	8.0
176.07899	3.0
177.05522	0.9
177.08156	1.2
179.07060	56.3
180.07437	3.4
191.05537	1.2
191.07101	0.9
193.08638	20.0
194.08966	8.7
195.09161	4.9
237.11433	1.0
237.44783	0.4
311.12927	0.5
315.12384	18.1
316.12714	22.4
317.12955	32.6
318.13232	2.0
323.13062	0.5
341.13895	4.9
342.14264	0.5
355.14078	0.9
359.14981	25.8
359.27975	1.7
360.15329	2.7
461.17053	0.4
461.31375	1.0
477.17514	0.5
479.32440	0.5
521.20337	14.8
521.33173	13.1
522.20856	2.5
522.34094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22174	0.4
55.01755	0.4
57.03317	0.4
58.00472	0.4
59.01251	100.0
60.01581	1.1
66.08933	0.3
69.65230	2.7
71.01254	5.3
73.02821	2.2
81.81560	0.4
83.01269	1.2
83.04915	0.4
85.02830	2.8
87.00768	0.5
89.02314	0.6
93.03343	2.9
94.03703	0.5
95.01241	0.4
97.02847	0.4
98.19845	0.6
99.00764	0.5
100.50163	0.4
101.02325	4.4
101.86536	0.4
102.02670	0.4
109.02821	1.3
113.02305	3.4
119.04915	84.1
120.05247	3.4
121.02849	0.6
125.02361	0.4
135.04434	5.3
136.04735	1.9
137.04941	0.7
143.03365	0.5
147.04416	0.7
159.02995	0.4
159.04382	0.9
161.04466	1.5
173.04489	0.5
175.07594	0.5
191.05504	1.3
193.08594	0.4
246.22632	0.4
299.12897	39.0
300.13242	4.0
315.12448	0.4
317.13034	0.6
317.27020	0.7
359.27905	0.6
456.67960	0.4
461.31238	8.3
462.31482	0.5
479.32300	4.3
480.33029	0.6
521.18750	0.4
521.33167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03337	0.9
58.00469	1.2
59.01252	100.0
60.01569	1.1
67.01763	0.7
69.03332	2.4
71.01257	50.1
71.45541	1.0
71.45869	1.2
72.01576	0.8
72.99187	1.5
73.02821	91.0
74.03157	1.5
75.00768	1.4
81.03342	1.3
83.01259	24.1
85.02848	4.8
87.00754	1.9
89.02312	6.0
93.03336	1.2
95.01286	1.5
95.04908	0.8
97.02869	1.5
99.00766	1.7
99.04391	0.8
101.02325	59.5
102.02647	1.5
106.06512	2.0
109.02830	4.1
113.02332	13.5
119.03403	4.0
121.02837	2.2
122.03644	1.2
125.02351	2.3
131.03394	3.7
135.04424	9.1
136.04773	2.7
137.04092	0.7
137.05978	1.6
143.03378	4.1
147.04449	1.7
148.05222	2.2
149.04471	2.2
149.05975	0.9
155.03406	1.2
161.04492	10.0
161.06001	10.2
173.04518	1.1
173.21031	0.7
175.07503	0.8
177.09242	0.9
186.12856	1.0
191.05579	2.9
193.08525	0.9
221.06665	1.1
255.11497	1.1
274.10849	0.8
299.09470	1.6
299.12894	28.1
300.13196	3.3
317.14053	4.0
334.19678	0.9
379.15662	0.8
446.78778	0.8
461.17120	1.0
461.31323	1.0
479.18979	2.1
479.31979	1.3
521.20294	27.5
521.32526	2.0
522.20660	4.9
541.85785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44430	0.2
55.01754	0.7
57.03333	1.0
58.00462	0.7
59.01253	27.3
60.01583	0.9
61.01673	0.4
65.03843	0.6
67.01756	0.4
69.03326	0.4
71.01255	11.6
71.58802	0.2
72.01588	0.2
72.99181	1.4
73.02822	1.5
79.00216	0.2
79.05424	0.6
81.03343	0.4
83.01263	1.5
85.02826	4.0
87.00752	1.0
89.02319	7.4
91.05407	1.9
92.05752	0.3
93.03352	1.6
95.01280	1.1
95.04906	0.4
97.02831	0.4
99.00770	0.5
101.02323	7.8
101.62614	0.2
105.06986	3.7
107.04912	2.1
108.02058	1.9
108.83437	0.2
109.02848	3.2
109.06487	0.2
110.03170	0.6
111.00766	0.3
111.03384	0.2
111.04420	0.7
113.02339	4.8
117.06975	1.5
119.03387	3.3
119.04919	0.8
121.02854	1.8
121.06469	0.9
122.03678	0.4
123.04421	3.7
124.04678	0.2
125.02358	0.4
131.03467	0.2
133.02844	0.5
133.06538	0.3
134.03642	0.7
135.00874	0.3
135.04413	17.6
135.08052	0.6
136.04735	3.3
137.02344	0.6
137.04962	0.8
137.05981	0.9
137.09599	0.2
143.03448	0.5
143.04788	0.3
147.04417	5.0
148.05199	5.1
149.05986	18.8
150.06342	0.9
151.03972	1.0
152.01050	1.1
153.01956	1.2
153.05487	20.3
154.01352	0.3
154.05806	0.6
159.03073	0.3
159.04361	1.5
160.05220	3.8
161.04613	0.8
161.05991	20.5
162.06393	1.0
163.03976	0.2
163.07556	4.9
164.07973	0.5
165.05487	13.2
166.05856	0.7
167.07037	1.0
173.04495	2.0
173.06023	1.0
175.07574	6.4
176.07933	0.6
177.05531	1.6
179.07060	100.0
180.07393	4.9
185.11797	0.4
191.05551	1.7
191.07121	1.6
192.05885	0.2
193.08644	14.1
194.08902	1.2
195.06723	0.2
195.09245	0.3
207.06657	0.3
227.07132	0.2
236.10205	0.2
237.11331	0.4
257.08215	0.6
311.12878	0.5
313.23895	0.8
315.07175	0.3
315.12338	1.2
316.12659	1.3
317.12927	2.0
323.13016	1.0
341.13956	7.3
341.26794	1.2
342.14301	0.8
355.13965	0.5
356.98233	0.2
357.26358	0.3
358.26712	0.4
359.14990	36.3
359.27966	7.4
360.15387	4.3
360.28391	0.5
401.24692	0.3
418.25259	0.3
419.25900	0.5
461.31223	2.2
477.17725	0.5
479.32535	0.9
503.32147	0.7
520.32111	1.2
521.20709	14.6
521.33209	30.7
522.20892	2.0
522.33527	3.1
527.67194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04069	0.6
54.77001	0.8
57.03312	1.5
58.00469	3.7
59.01252	100.0
60.01573	2.3
68.20158	0.8
69.53841	7.2
71.01256	60.1
72.01579	0.8
72.99184	3.7
73.02817	7.8
75.00748	1.6
78.95755	1.2
81.03333	1.1
83.01260	2.9
85.02821	14.4
87.00755	4.9
89.02318	69.1
90.02676	1.5
93.03332	2.5
95.01262	2.7
97.02817	0.9
97.06490	0.9
98.33497	0.8
99.00767	7.0
101.02325	38.3
108.02045	4.5
109.02853	4.7
109.99950	1.2
111.00769	1.3
113.02332	21.3
119.03390	22.6
121.02856	2.2
123.00769	1.0
123.04385	1.8
125.02338	2.7
131.03397	5.9
134.03625	1.0
134.74245	0.7
135.04414	2.0
137.02353	1.7
139.00317	1.2
143.03432	4.3
149.04463	14.2
150.03108	0.9
151.00375	1.0
151.03871	1.9
152.01044	3.0
153.01849	2.4
159.04436	2.6
160.05240	5.5
161.04477	4.7
161.05983	2.6
163.03952	1.6
165.05443	1.5
172.05212	2.7
173.04575	1.9
173.06001	2.2
175.03983	1.0
175.07539	2.6
179.03334	1.0
179.05571	7.6
179.07011	1.2
179.51326	0.8
187.07594	1.7
189.05550	5.7
190.02658	1.1
190.06290	4.2
191.03639	1.4
191.05505	8.1
192.05954	1.0
205.05051	1.2
205.08711	3.2
251.07886	1.0
271.02612	2.0
281.08295	1.6
287.01917	1.3
289.99573	0.8
296.10443	3.0
299.02017	1.9
311.12918	3.2
316.02176	3.2
317.02863	1.9
317.19659	1.2
329.13992	6.1
341.13885	16.2
342.14377	1.6
389.21652	1.1
404.10858	0.8
461.23795	1.7
477.23175	1.2
479.24927	1.8
491.49811	0.8
521.09247	1.4
521.18427	1.8
521.26025	25.4
522.25928	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98256	0.9
51.48866	0.8
59.01247	8.3
65.03836	1.7
67.01760	12.6
69.03338	1.4
69.29822	9.3
71.01263	2.7
78.95763	1.0
79.05389	1.2
80.35195	0.9
81.03324	1.1
83.01280	0.8
85.02831	2.8
91.05415	10.7
93.03332	5.9
95.04929	1.1
97.02825	6.1
98.19731	1.8
101.02337	1.3
107.04895	2.0
109.02840	32.5
110.03181	1.1
111.04340	1.3
113.02325	1.1
113.05995	1.0
117.03323	1.6
119.04868	0.9
121.02843	3.4
123.04393	7.3
125.49133	0.8
131.04900	1.3
133.02870	1.4
133.06494	1.9
135.04416	97.5
136.04759	3.8
137.02339	1.3
139.03911	17.0
141.90553	0.9
142.51514	0.9
147.04312	1.2
149.06026	1.0
151.03915	2.2
153.05479	33.7
154.05849	1.7
159.04443	2.1
161.02351	5.5
163.03984	1.0
165.05437	4.4
173.04459	3.2
173.05911	1.9
175.03952	2.5
175.07587	5.9
177.05495	15.2
179.03436	3.5
189.05490	1.0
191.03481	4.0
191.05548	10.4
195.06557	5.0
197.04422	2.1
199.07597	1.0
203.07018	7.0
205.05016	4.2
205.08612	5.3
206.09114	1.0
211.03915	5.7
215.07146	1.7
221.08167	2.0
225.05475	2.0
227.07088	26.5
228.07501	1.3
241.05034	4.8
245.08112	1.3
253.08719	2.5
255.06577	11.8
257.08173	100.0
258.08502	7.2
260.60718	1.0
271.09766	3.3
325.10690	1.4
349.10788	3.0
363.12463	1.4
367.11829	38.7
368.12180	6.0
381.13351	1.6
411.14584	3.5
461.31516	1.5
503.17276	4.9
521.18024	16.3
521.32660	3.8
522.18427	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.7
61.64747	0.4
65.36041	0.3
69.49140	1.5
69.49577	1.1
71.01257	0.7
79.05412	0.3
85.02837	0.5
91.05395	0.4
93.03311	0.4
93.69503	0.3
95.04903	0.4
98.19789	0.4
101.02346	0.4
105.06983	3.4
107.04892	1.8
108.02061	0.5
113.02370	0.3
115.02372	0.3
117.06958	1.5
119.04861	0.5
121.06517	0.6
122.03626	0.5
123.04429	3.2
134.03673	0.8
135.04422	7.6
135.08047	0.4
137.02405	0.4
137.05960	1.0
147.04413	3.1
148.05194	3.0
149.05995	20.7
150.06308	1.5
151.03932	0.6
153.05492	20.4
154.05794	0.7
155.02664	0.4
159.04405	0.8
160.05202	2.5
161.06000	19.0
162.06383	0.7
163.07576	3.2
165.05499	11.2
166.05827	0.5
173.05988	0.4
175.07555	4.6
177.05492	0.9
179.07063	100.0
180.07405	5.5
191.05516	0.5
191.07074	0.9
193.08646	11.2
194.08987	0.6
315.11032	0.8
341.12509	3.7
359.15009	60.3
360.15381	6.4
521.20129	2.0
521.33374	0.8
522.20978	0.3
525.80835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.2
59.01255	24.9
59.99375	1.2
65.00196	1.8
69.03326	1.1
69.25055	14.2
71.01254	10.1
72.99171	1.5
73.02820	3.8
81.03369	2.0
83.01261	3.2
83.98080	1.2
85.02843	5.3
86.00063	1.2
87.00756	1.3
87.77278	1.1
89.02319	4.1
91.01787	2.7
93.03345	5.0
95.01290	2.7
96.96916	1.4
98.19804	2.0
99.00788	1.6
101.02333	8.3
107.01278	2.2
108.02057	61.8
109.02870	25.3
111.00750	1.3
113.02316	4.8
119.01304	1.6
119.03405	1.2
119.04939	3.0
121.02871	2.3
123.00761	1.7
125.02335	4.1
135.00804	7.2
135.04416	4.4
137.02393	1.7
139.00201	2.2
149.02377	6.5
150.03157	2.9
151.00319	5.4
151.03906	2.7
152.01062	83.3
153.01857	25.9
153.99004	1.4
154.02193	1.2
154.99738	1.4
161.02312	1.7
161.04518	2.2
163.00281	2.2
163.03917	2.0
164.01038	2.0
164.04704	5.4
165.01813	2.5
165.98956	1.4
167.03404	2.3
169.01404	2.5
173.04541	2.2
175.00290	11.9
176.01067	12.1
177.01886	1.8
178.99693	6.3
179.06979	1.3
187.03822	1.8
190.02637	27.8
191.03426	20.7
191.05403	3.0
192.03778	1.3
193.01288	1.6
194.01985	1.5
195.06567	1.3
205.05011	21.9
206.05461	1.4
208.00139	2.2
209.04515	2.5
215.03397	1.2
223.06157	3.3
225.11295	1.9
227.03484	1.9
231.02792	1.7
242.93605	1.2
243.02922	3.0
255.03107	2.4
259.02411	1.9
270.01575	1.9
271.02533	14.1
272.03125	2.2
273.03952	1.5
284.03110	1.3
287.01974	3.6
299.01993	23.0
300.02548	2.1
315.07211	20.8
316.02219	19.4
316.07495	1.9
317.02927	10.1
317.13223	1.3
353.08841	9.7
367.09967	1.6
429.08701	1.7
477.14142	2.6
489.10886	2.8
521.13409	100.0
521.26276	9.1
522.13702	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23156	0.8
52.38338	0.8
59.01249	8.7
61.36684	0.9
65.00188	1.7
71.01250	5.1
73.02840	1.5
81.03354	2.6
81.50716	0.9
83.01277	2.2
85.00621	0.8
85.02843	3.6
89.02313	1.4
91.01836	0.9
93.03371	2.7
95.01323	2.6
95.35931	0.9
99.00787	1.3
101.02362	3.3
107.01309	2.4
108.02055	77.2
109.02843	53.5
109.03606	1.6
110.03197	1.2
111.00763	2.2
113.02303	2.1
119.01318	2.6
121.02881	2.7
123.00830	3.4
123.04411	1.8
124.01556	1.1
125.02384	3.4
132.01968	0.9
133.02937	1.1
135.00821	3.3
135.04457	1.0
136.62231	0.8
137.02307	0.9
138.03137	1.2
139.00304	2.1
147.00858	1.3
147.04462	1.2
148.01546	1.8
149.02348	8.1
150.03210	2.0
151.00261	5.9
151.03995	1.9
152.01057	84.7
153.01846	43.2
154.02185	1.0
159.04576	1.5
160.05286	1.0
161.02367	1.1
161.06078	0.9
163.03912	2.1
164.01077	1.3
164.04684	4.7
165.01881	1.9
167.03456	2.1
171.04474	2.0
175.00281	13.7
176.01054	14.6
177.01817	1.0
178.99803	4.3
179.07146	1.2
181.98593	1.1
187.04025	1.2
189.01950	1.3
190.02643	28.7
190.04306	1.4
191.03432	19.8
192.04100	1.2
193.01358	1.5
199.03937	1.6
203.03508	1.7
205.05006	19.7
205.06766	1.5
206.05478	1.0
208.00212	1.5
209.00951	1.3
209.04553	2.1
223.06078	4.9
227.03442	2.1
230.09990	0.9
231.03038	1.9
243.03111	3.3
255.03078	2.0
259.02689	0.9
270.01605	1.2
271.02460	16.1
271.05045	1.0
272.03192	2.3
273.04126	1.6
273.07397	1.1
287.02136	4.0
299.01968	22.7
300.02563	2.0
315.07220	29.7
316.02222	13.5
316.07755	2.2
317.02798	6.8
329.14099	1.8
353.08649	7.8
354.09045	0.9
367.10419	1.6
368.04941	1.0
477.14349	3.1
489.10562	1.4
500.69498	1.0
521.13300	100.0
521.26270	2.9
522.13647	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0929
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.31144	1.8
57.03313	2.9
59.01250	17.2
63.02265	3.2
65.00199	5.9
68.99689	2.0
71.01257	5.6
73.02809	5.3
76.01012	1.5
78.95776	2.0
81.68306	2.1
83.01262	5.1
85.02839	3.8
89.02293	3.0
93.03345	5.3
95.01251	3.9
101.02312	5.2
107.01267	9.6
108.02060	50.8
109.02845	44.9
110.00006	4.2
111.00771	5.8
113.02290	3.2
117.03345	3.2
119.01297	1.9
120.53200	1.8
121.02847	3.5
123.00764	5.9
124.01530	3.2
125.02317	7.6
135.00766	2.8
135.04405	3.3
136.01585	2.4
137.02370	4.2
137.99503	2.1
139.00266	8.1
143.04921	4.0
145.02921	2.8
148.27614	1.7
149.02315	7.7
150.03151	4.0
151.00278	29.9
151.03896	1.8
152.01064	60.1
153.01842	46.3
153.98929	3.1
154.04184	2.0
154.99815	4.5
155.04924	2.3
157.02899	1.6
159.04321	2.9
161.02370	3.6
163.00227	4.5
163.03964	2.7
164.01071	6.7
164.04745	2.2
164.98276	1.8
165.01756	3.0
165.98997	6.4
166.99757	3.7
167.03421	2.7
169.01311	5.5
171.04402	5.6
173.02299	2.1
174.03008	1.8
175.00232	6.0
176.01067	7.0
177.01814	3.1
178.99796	21.6
179.03404	2.2
181.98511	3.2
183.04501	4.1
187.03958	3.1
190.02620	19.5
191.03461	14.2
192.00557	3.2
193.01378	3.7
199.03934	4.4
200.49071	2.0
201.01886	5.0
203.03464	4.6
205.01399	2.5
205.05026	12.8
206.99290	3.7
208.00053	5.0
209.00858	5.8
209.04495	2.0
211.04021	2.5
214.02763	2.8
215.03362	5.6
217.01250	2.1
217.05089	3.0
221.00467	1.6
227.03491	12.2
231.02924	7.6
242.02171	4.7
243.02904	12.4
244.03339	2.9
245.04410	2.4
255.02986	11.8
259.02457	10.8
260.02985	2.0
270.01700	6.4
271.02475	71.7
272.03018	12.3
273.03909	6.1
284.03149	2.9
285.04218	3.3
287.01984	18.9
288.02454	4.8
294.84375	1.9
299.01974	100.0
300.02374	9.4
301.03339	4.1
315.01709	2.0
315.07352	20.2
316.02225	77.5
317.02939	40.6
329.13928	3.9
342.03485	2.3
353.08737	7.4
377.05148	1.8
395.06027	2.5
413.06964	3.6
479.08145	2.9
489.11221	2.6
503.08212	2.5
521.09613	61.3
521.12360	63.6
521.24890	8.1
522.12854	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0937
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01252	4.5
65.00199	2.0
70.07174	3.7
71.01263	1.3
72.95041	0.7
73.60763	0.7
76.85166	0.8
78.70891	0.8
83.01266	1.1
101.02334	1.0
107.01261	2.9
109.02861	1.8
109.99992	13.1
111.00765	4.8
119.13347	1.1
123.00759	2.5
124.01482	1.1
125.02325	2.4
136.01546	1.1
136.98714	1.5
137.02342	1.0
137.99487	4.5
139.00275	15.5
145.02835	1.2
151.00272	7.2
152.01012	3.1
152.50288	0.9
159.04465	1.1
163.00275	1.8
164.01065	2.2
165.98990	17.2
166.99779	7.1
171.04410	1.2
174.03107	0.9
175.03873	1.4
178.99789	11.9
186.03200	0.9
187.03987	1.1
193.98489	1.8
194.99211	1.0
198.03130	2.0
199.03952	1.6
201.01823	2.2
202.02542	0.9
203.03380	1.6
206.99252	1.1
207.99950	1.4
214.02632	1.1
215.03371	2.9
216.03891	1.1
226.02721	0.9
227.03447	5.9
231.02890	2.7
232.03732	1.3
242.02130	3.0
243.02988	7.0
244.03709	3.2
247.06055	0.9
255.02954	3.3
259.02408	4.1
260.03055	1.3
262.77737	0.8
263.11792	0.9
270.01703	8.2
271.02481	39.7
272.03094	5.8
273.03912	2.1
287.01974	24.2
288.02490	3.9
289.03436	1.2
299.01984	23.5
300.02365	1.8
315.01035	1.0
316.02234	100.0
317.02972	54.5
318.03271	3.4
359.04211	1.0
365.25641	0.9
438.38528	0.9
479.08322	5.5
487.71304	1.0
503.08350	1.2
521.09363	89.0
522.09717	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.2
59.01249	100.0
60.01590	3.3
61.98701	85.8
65.03875	1.3
71.01253	16.0
72.99187	2.1
73.02826	4.1
73.09297	1.0
75.00725	1.2
83.01264	3.2
85.02831	7.3
87.00762	1.4
89.02338	3.9
93.03315	6.5
97.02802	1.2
99.04387	2.3
101.02310	8.0
107.01274	1.9
108.02074	1.2
109.02827	5.6
111.04345	1.2
113.02321	5.2
119.03348	1.6
119.04927	2.7
121.02776	2.0
123.04404	1.3
125.02351	1.9
128.89789	1.3
135.04449	4.6
137.02342	5.0
141.86035	1.1
148.51169	1.2
151.00291	3.7
151.03899	2.7
152.00769	1.8
153.01855	2.7
155.02666	1.2
161.04517	2.3
163.03899	2.4
167.03403	2.6
170.13228	1.1
173.04424	2.8
177.01862	1.4
177.05481	5.1
191.05554	11.0
195.06543	1.3
271.06140	4.3
272.06448	4.5
273.07730	3.8
317.10220	1.9
353.20056	2.1
359.24408	1.3
371.20697	4.2
413.21869	4.4
442.54236	1.2
476.12607	2.7
477.13632	1.4
520.32562	1.9
521.17261	1.1
521.29041	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80480	1.8
57.03300	2.4
58.70752	1.8
59.01254	31.8
63.02288	2.4
65.00214	2.2
65.99715	8.3
67.01758	2.4
71.01254	18.2
71.44552	1.8
71.57936	2.3
71.58305	2.2
72.54218	2.0
72.99171	2.4
73.02827	4.5
75.00748	3.8
78.95787	3.0
83.01270	4.5
85.02807	6.0
87.00762	2.9
89.02325	11.1
90.03293	2.1
93.03333	5.1
95.01259	5.5
99.00773	3.0
100.99744	2.0
101.02323	10.5
107.01265	6.9
109.02840	28.2
111.00770	4.6
113.02320	5.0
119.01301	3.2
119.03359	2.3
121.02847	5.9
123.00761	8.5
124.01539	2.6
125.02338	9.0
133.02850	4.4
134.02393	11.0
135.00760	8.0
135.04410	7.9
137.02353	22.1
139.00258	4.1
139.03847	3.2
146.02386	3.3
147.00687	2.5
147.04381	4.3
148.01570	45.6
149.02391	18.0
150.03120	6.1
151.00278	25.4
151.03876	5.0
152.00990	6.3
153.01831	4.6
158.02351	4.3
159.04427	5.1
160.03961	3.6
160.05190	7.9
161.02382	10.8
161.05927	2.9
162.01849	31.2
163.00299	14.8
163.02618	4.2
163.03903	8.5
164.01126	2.4
164.03453	21.0
164.04715	3.4
165.01836	7.6
166.99724	4.4
167.03435	3.7
169.01324	2.9
171.04428	2.9
171.61713	2.0
174.03186	2.8
175.00323	9.7
175.03888	5.1
175.07567	7.1
176.01088	3.7
176.03418	2.2
177.01863	73.8
177.05415	2.7
178.02420	3.2
178.06351	2.7
178.99789	19.7
179.03314	2.6
186.01851	11.2
187.00252	2.8
187.02480	2.0
187.03967	4.1
188.03387	4.5
189.01869	3.3
189.05415	2.3
190.01341	10.2
191.02000	10.0
191.03609	3.7
191.05522	10.0
193.01347	6.6
197.02403	3.7
198.03212	2.2
199.03952	7.7
201.01787	2.3
201.05528	3.6
202.01259	4.9
202.99780	15.1
203.01842	4.4
204.02954	64.7
205.01346	3.9
205.03288	4.1
206.99240	2.4
207.02956	2.7
215.03416	7.9
217.05005	3.3
219.02844	3.2
227.03520	11.5
230.00821	22.3
231.01204	3.0
231.03177	3.8
233.04503	3.3
239.03384	3.4
242.02115	4.3
243.02881	14.0
245.04604	4.2
247.01196	3.1
255.02914	10.4
256.03589	3.4
259.02325	3.1
267.03049	5.0
268.03220	2.2
269.04526	5.2
270.01614	3.6
271.02444	40.2
272.03156	14.9
272.05682	3.2
273.03909	10.2
283.02356	3.4
284.03180	5.6
285.04010	9.2
287.01947	8.1
288.02731	7.3
289.03357	3.0
294.04083	13.9
295.02365	6.4
299.01956	59.4
300.02515	17.7
301.03427	5.9
310.03653	6.1
311.04510	2.6
311.07690	9.5
312.02472	5.0
313.03485	22.2
314.04071	3.3
316.02176	28.1
317.02945	35.8
322.03564	26.1
323.04175	3.4
324.05078	3.0
329.08749	6.6
329.13919	35.5
339.03848	36.5
340.00931	8.5
340.04602	53.4
341.04996	8.1
343.06650	7.5
347.14197	2.7
355.06738	15.5
357.04810	15.5
358.05661	17.0
384.09415	47.8
385.09616	7.3
410.07343	31.2
435.09299	3.8
462.08099	8.2
463.08759	4.5
479.08185	19.6
480.08395	3.2
502.09894	41.4
503.10187	6.7
520.10956	100.0
521.11127	19.5
521.26294	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01245	1.7
69.56776	3.8
71.04883	1.5
71.35237	0.4
78.95773	1.6
96.95880	0.6
97.02832	2.9
97.06468	1.2
99.00760	11.0
109.06450	0.7
110.03623	0.7
110.98376	0.7
123.08035	0.7
125.09605	4.1
135.08028	0.6
136.05252	0.5
142.02629	1.4
152.99509	1.9
155.14322	0.9
163.11205	4.4
165.12825	0.5
181.12257	12.3
182.12683	0.7
183.13779	1.1
185.02158	1.3
185.11673	0.8
189.66010	0.5
197.11874	0.6
199.13313	6.6
204.87376	0.5
207.10197	27.6
208.10588	1.7
209.11795	0.8
225.11270	41.1
226.11600	2.0
227.12859	1.3
234.93388	0.5
243.12349	100.0
244.12704	6.6
247.20694	0.9
253.21797	0.6
291.19629	7.6
292.19946	0.9
293.21210	1.0
301.68262	0.5
309.20709	10.7
310.20981	1.3
519.33325	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74904	0.5
55.01755	1.7
57.03315	1.7
57.26089	0.6
58.00454	0.7
59.01252	100.0
60.01581	1.6
69.03328	1.2
71.01255	15.7
71.58242	1.2
72.99185	1.5
73.02822	8.4
75.00770	0.8
83.01259	4.9
83.04900	4.1
85.02825	11.1
85.99974	1.1
87.00771	1.8
89.02316	19.0
91.05410	1.3
93.03346	1.3
95.01304	1.1
97.02864	1.5
99.00757	3.3
99.04408	2.1
101.02322	10.9
107.04873	0.8
109.02837	2.7
111.00777	4.6
112.01575	0.6
113.02332	6.9
121.02867	1.6
124.01559	0.6
125.02374	1.7
127.52480	0.5
129.01915	0.9
135.04425	10.7
136.04796	1.2
137.02437	0.8
141.01912	0.7
143.03442	1.3
159.03004	1.4
161.04509	1.7
161.05884	0.6
173.04520	1.5
191.05560	5.1
191.14778	0.6
193.08566	0.7
227.20097	0.8
238.58951	0.6
241.21878	0.9
245.58824	0.6
271.22925	0.8
297.11584	0.7
297.24280	0.8
315.12613	1.7
315.25360	7.2
316.25934	1.0
357.16547	1.4
375.23834	0.7
411.27701	1.0
431.26880	0.8
434.38095	0.6
441.28482	0.9
459.29645	31.3
460.30054	4.7
477.30692	22.1
478.31061	3.6
501.30716	4.9
502.31094	1.3
519.22095	0.6
519.32129	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.5
59.01254	1.3
78.95795	3.0
82.61916	0.6
83.04891	0.9
86.93739	0.6
96.95889	1.9
97.06481	0.7
98.19758	1.4
107.08561	1.8
110.98402	2.3
111.08039	2.2
139.11162	2.4
152.99486	1.4
153.09151	0.8
155.10675	0.8
163.51126	0.7
165.12764	24.8
166.13057	1.6
167.10690	2.3
183.13838	81.7
184.14175	4.4
185.02145	5.4
185.11763	2.0
191.10640	0.7
199.13387	1.6
201.11305	0.8
206.44334	0.7
209.11765	3.4
213.11302	2.4
214.11934	1.4
222.30588	0.7
223.54257	0.8
227.12854	62.8
228.13202	2.9
240.13634	1.3
247.20683	1.4
253.21701	2.0
263.19998	0.7
273.18634	1.2
282.25330	1.5
283.25507	1.7
291.19684	19.2
292.19998	2.5
309.20724	100.0
310.21066	10.2
422.00507	0.8
457.33170	2.6
483.30908	1.0
501.32114	2.6
519.16760	1.1
519.33203	7.1
520.33752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
56.25312	0.4
57.03338	1.7
58.00464	0.5
59.01252	100.0
60.01586	1.1
62.68694	0.3
65.03815	0.8
68.99706	0.4
69.03319	1.0
71.01254	18.6
72.99186	1.1
73.02819	9.1
75.00755	0.8
83.01253	4.3
83.04913	1.5
85.02822	11.1
85.99973	0.4
87.00766	1.0
88.03925	0.4
89.02309	3.5
91.05411	2.6
93.03342	1.9
95.01270	3.2
95.04909	0.4
96.95914	0.3
97.02838	0.9
98.20621	0.5
99.00751	2.0
99.04390	0.6
101.02326	14.6
102.02699	0.5
108.02058	0.4
109.02848	4.6
111.00790	1.1
113.02330	16.4
114.02676	0.4
119.03386	1.6
121.02844	3.1
123.04437	0.5
124.01581	0.8
125.02322	1.8
131.03403	0.7
133.02892	0.7
134.03627	0.8
135.04414	26.3
136.04802	1.7
137.02338	0.6
143.03352	1.7
147.04478	1.0
148.05217	0.6
149.02373	0.6
149.04433	0.5
149.05978	0.4
151.03967	0.5
159.02954	0.9
159.04385	0.5
160.05254	0.6
161.04451	3.5
163.07628	0.6
173.04509	0.8
175.07568	0.9
191.05536	2.4
192.07863	0.4
193.08626	2.4
213.18654	0.3
229.17984	2.1
231.10190	0.4
235.09776	0.4
241.21861	0.5
267.06760	0.3
271.06277	0.5
279.23401	0.4
281.08133	0.4
282.09003	0.4
297.11325	7.5
297.14508	0.5
297.24234	0.5
298.11652	1.2
315.12399	6.0
315.15808	0.4
315.25345	3.5
316.12823	1.0
316.25555	0.3
357.13260	0.6
357.26559	0.7
373.22308	2.4
391.23325	6.8
392.23926	0.8
415.26993	0.4
421.26175	0.4
434.11826	0.4
439.27069	0.5
441.28726	0.4
444.41052	0.4
459.16556	1.1
459.29639	22.8
460.30051	3.1
477.17877	1.3
477.30695	11.3
478.30756	1.7
519.18964	4.0
519.31934	5.0
520.19348	0.8
520.32111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03322	2.3
58.00478	0.5
59.01253	100.0
60.01590	1.4
60.13921	0.3
61.98700	0.5
67.37294	0.4
69.03345	0.8
69.72835	2.3
71.01258	14.3
72.99174	1.0
73.02819	7.5
78.95775	0.4
83.01260	4.5
83.04887	2.2
85.02821	8.9
85.99995	0.5
87.00764	1.1
89.02337	1.5
91.05394	1.0
93.03351	1.3
95.01283	1.3
97.02848	1.0
99.00763	2.3
99.04380	0.4
101.02324	9.2
108.02073	0.5
109.02837	2.2
111.00770	1.9
112.01592	0.5
113.02338	7.5
113.03081	0.7
119.03428	0.6
119.04937	0.5
121.02863	1.7
123.92890	0.4
124.01571	0.6
124.98711	0.5
125.02374	1.3
129.01819	0.4
134.03665	0.8
135.04419	12.1
136.04814	0.4
137.02325	0.6
140.01135	0.5
143.03445	1.5
147.04500	0.4
149.02412	0.5
149.05948	0.4
151.03915	0.5
151.08737	0.4
159.02975	0.5
161.04422	2.4
163.07576	0.5
173.04442	0.7
191.03700	0.4
191.05602	1.3
193.08615	1.1
220.48129	0.4
229.18030	2.9
239.20198	0.5
241.21739	0.7
253.21846	0.5
255.13753	0.5
271.22839	0.6
279.23380	0.7
295.22684	0.4
297.11276	3.7
297.24173	0.4
298.11639	0.7
315.12378	3.3
315.25302	6.2
315.28555	0.5
316.25787	0.8
357.26559	0.7
373.22263	6.6
374.22549	0.5
391.23346	10.0
392.23749	1.2
415.27597	0.5
429.29102	0.7
439.27139	0.5
441.28574	0.9
459.29651	28.3
460.30215	4.4
477.30670	19.6
478.30972	3.4
519.19067	0.9
519.32086	4.7
519.69476	0.4
520.31982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07536	0.3
59.01247	0.8
71.57526	0.6
78.95779	51.8
96.95877	0.6
96.96846	6.3
101.27705	0.4
110.38343	0.4
135.04408	0.5
150.97914	1.9
152.99500	100.0
153.99818	1.9
171.00565	4.8
233.62057	0.4
293.21210	0.5
303.71738	0.4
315.12259	0.4
365.26761	0.5
379.79395	0.4
414.47095	0.4
432.22452	0.9
471.50424	0.4
519.27209	9.1
519.34351	0.5
520.27527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97031	0.5
59.01250	100.0
60.01579	1.3
69.41234	4.0
69.41655	1.3
71.01263	4.6
71.81971	0.5
72.15455	0.6
73.02820	1.4
77.89706	0.5
85.02853	2.0
89.02337	1.0
99.00776	1.2
101.02342	1.6
113.02354	3.9
116.26193	0.5
135.04462	1.7
159.04405	0.9
161.04520	2.1
197.03860	0.6
221.69528	0.6
357.13199	0.6
399.23856	11.6
400.24518	1.3
417.25122	3.3
459.26254	1.4
519.28931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56730	0.7
55.01734	0.8
56.69770	0.6
59.01253	100.0
60.01595	1.7
65.35004	0.6
69.03336	1.0
70.92518	1.7
71.01255	8.9
73.02833	3.7
78.22998	0.6
79.50858	0.7
79.76426	0.7
83.01287	1.3
85.02811	3.6
87.00759	1.1
87.04416	0.8
89.02325	3.7
92.14696	0.7
92.32510	0.6
98.82702	0.7
99.00793	1.1
101.02317	5.5
109.02869	0.7
113.02319	4.9
117.91401	0.7
119.03455	1.1
121.02899	0.9
135.04396	3.5
143.03363	0.9
151.04015	0.6
161.04532	1.5
173.04541	1.7
181.67986	0.6
191.05618	1.5
193.08723	0.9
315.12631	0.8
329.19894	1.1
399.23865	18.3
399.28745	1.1
400.24313	1.7
417.24991	10.4
418.25589	0.9
459.29941	0.8
516.86078	0.8
519.32257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3173
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
51.20787	0.4
55.01748	1.4
57.03313	1.8
58.00466	0.9
59.01251	37.7
60.01599	0.5
61.98693	1.1
66.00842	0.5
69.03319	0.5
71.01253	13.8
72.99179	1.5
73.02816	4.4
83.01253	2.7
83.92266	0.4
85.02821	6.2
87.00762	1.4
89.02318	4.2
90.17461	0.5
91.05428	0.8
93.03344	1.3
95.01270	1.8
97.34559	0.4
98.93440	0.5
99.00758	1.3
101.02325	7.9
109.02850	2.0
111.00744	0.8
113.02319	5.1
119.03390	1.6
121.02856	1.7
133.02872	0.5
135.04422	10.8
136.04729	0.7
137.02304	0.7
139.11272	0.9
149.05948	0.7
173.04478	1.0
175.07491	0.5
178.20810	0.5
179.03510	0.6
180.87631	0.5
191.05559	1.7
193.08586	1.2
195.66835	0.5
213.26054	0.5
229.40602	0.4
233.95909	0.5
267.23276	0.8
297.11533	0.5
311.22241	3.1
315.12415	2.6
315.25345	0.7
339.25397	4.2
357.26443	21.6
358.26932	2.3
368.64902	0.4
373.22137	0.5
399.67596	0.4
459.29715	4.5
459.61725	0.5
477.30960	2.6
501.11850	0.5
501.30872	2.5
501.37494	0.5
519.31738	100.0
520.32086	16.0
520.40070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35182	1.8
57.03313	3.3
59.01251	100.0
60.99200	1.9
65.52118	1.8
71.00851	2.7
71.01255	55.7
71.58910	3.4
72.99164	4.8
73.02821	11.1
74.02351	2.7
78.95779	33.3
83.01275	3.6
85.02816	14.4
87.00749	6.7
89.02319	53.8
93.03347	7.9
95.01255	5.1
96.96850	17.3
99.00762	2.9
101.02325	29.3
108.02048	8.6
109.02846	7.3
113.02335	23.2
115.91917	2.1
116.92771	5.1
119.03380	19.2
119.04912	2.1
121.02892	2.7
123.04414	9.1
132.57457	2.0
133.04913	3.8
135.04424	14.7
136.01556	8.3
143.03423	3.9
144.90996	2.0
149.04445	4.1
151.03931	9.8
152.01062	2.6
153.01778	3.3
154.91930	1.8
159.04427	3.9
161.02341	3.8
161.04500	6.2
173.04474	9.1
179.03500	4.7
179.05542	11.3
188.04893	2.5
191.05542	16.0
203.07050	6.0
251.06796	2.5
265.05087	3.2
279.06808	4.5
309.07797	3.2
309.11240	4.6
326.34271	2.1
327.12482	3.9
339.12393	13.4
345.23022	3.6
353.06412	2.8
356.09555	2.0
357.09592	2.8
357.13440	9.1
387.20215	2.1
411.11545	1.8
519.26593	21.5
520.27521	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	3.9
57.33630	2.8
59.01252	88.8
61.98705	6.8
67.01778	2.7
70.61348	8.7
71.01257	31.3
72.25597	2.5
72.99180	3.9
73.02815	23.1
75.00725	4.2
78.95773	17.8
81.32211	2.3
83.01271	8.0
85.02819	14.2
87.00763	6.7
87.04385	2.5
88.98689	2.6
89.02330	15.6
90.98506	2.8
91.05403	9.2
93.03333	12.4
95.01270	4.1
96.96863	12.7
101.02323	20.4
108.02060	10.5
109.02853	14.9
111.00742	2.4
113.02351	16.5
116.92730	3.9
119.03397	5.2
119.04921	3.1
121.02846	9.3
123.04430	7.2
125.02333	6.2
133.02879	4.3
135.04417	100.0
136.04825	3.6
137.02388	7.4
138.05545	3.3
143.03435	3.5
147.04330	3.1
149.02345	3.1
151.03911	6.9
152.01077	5.3
153.01793	4.0
153.05484	11.8
159.04489	2.9
161.02350	33.3
165.05493	5.5
167.22247	3.0
173.04536	13.7
175.07542	3.3
179.03416	10.1
191.05551	20.4
193.04971	4.6
193.08632	4.2
195.06680	4.2
205.08607	4.2
216.06555	2.4
271.02533	21.5
279.06528	3.6
283.25604	2.6
287.01929	3.1
297.11295	5.1
299.02069	23.7
300.02759	4.5
315.05026	12.7
315.08752	10.4
315.12231	17.2
316.12631	3.9
357.09723	3.6
357.13644	4.1
370.91971	3.2
382.09854	2.7
415.23431	2.8
465.10031	4.9
504.08902	4.7
519.11768	10.3
519.27307	31.2
520.27820	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.9
57.88021	0.8
58.00464	1.6
59.01253	90.2
65.03823	1.4
69.03317	1.7
71.01255	44.2
72.99170	1.4
73.02820	100.0
74.03160	0.9
77.78762	0.9
81.03339	1.1
83.01266	22.7
83.66254	0.8
85.02826	3.4
89.02318	7.6
91.05411	8.1
93.03342	2.3
97.02795	1.8
99.00774	2.2
101.02324	59.8
102.02677	2.3
109.02862	7.2
113.02327	11.8
117.78930	1.1
119.03393	2.5
121.02857	7.4
125.02366	3.3
131.03424	4.5
134.03656	2.9
135.04422	68.0
136.04776	2.7
143.03380	4.1
147.04446	1.8
149.04437	2.5
155.03380	1.7
159.04524	1.3
160.05255	1.3
161.04477	9.4
171.06403	0.9
175.07568	2.3
220.81668	1.1
297.11340	28.8
298.11777	4.4
397.15094	2.3
477.17386	1.8
519.18719	23.1
520.19061	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47728	0.2
58.98930	0.2
59.01250	3.0
60.47993	0.2
65.03837	1.6
67.01765	0.5
69.31213	0.6
69.31630	1.4
71.10874	0.2
91.05408	10.8
92.05742	0.4
93.03349	2.1
107.04887	0.3
109.02836	17.8
110.03153	0.5
121.02847	12.0
122.03062	0.3
134.03595	0.3
135.04413	100.0
136.04752	4.4
137.05981	0.6
147.04419	2.2
148.05188	3.1
149.05820	0.4
159.04427	1.1
160.05225	2.8
163.06252	0.3
163.07568	4.3
167.07047	1.1
175.07561	6.1
176.07851	0.3
193.08630	18.7
194.09077	1.1
279.06570	0.4
297.11145	0.5
315.12378	54.7
316.12665	5.2
339.11273	0.2
357.13239	0.2
368.52673	0.2
431.11200	0.7
459.16522	0.4
485.15497	0.2
519.10565	0.4
519.18646	2.2
519.31305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.5
65.03833	1.6
67.01762	0.4
70.21873	0.1
71.01255	0.2
78.85458	0.1
85.02847	0.1
91.05412	10.4
92.05760	0.4
92.99091	0.1
93.03337	2.2
101.02336	0.1
107.04902	0.2
109.02838	16.6
110.03181	0.7
111.08698	0.1
113.02329	0.1
119.04913	0.1
121.02847	10.8
122.03116	0.2
122.03769	0.1
133.02885	0.1
134.03636	0.2
135.04417	100.0
136.04752	3.9
137.05951	0.4
147.04420	1.8
148.05212	3.4
149.06004	0.6
159.04449	0.8
160.05219	2.1
161.05762	0.1
163.07558	4.5
164.07860	0.2
167.07060	1.5
175.07568	5.9
176.07915	0.3
178.06230	0.2
191.07103	0.3
193.08636	17.6
194.08980	1.1
229.68790	0.1
245.23981	0.1
269.74261	0.1
297.11307	0.5
306.29840	0.1
315.12384	45.3
316.12711	3.9
316.16415	0.2
339.10822	0.2
354.71210	0.1
357.13489	0.1
357.26398	0.3
459.16739	0.3
519.18842	1.8
519.31445	0.8
520.19019	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97228	0.9
54.22837	0.7
55.01743	0.8
58.00462	1.1
59.01253	34.6
65.03827	1.3
67.01756	4.4
69.03328	1.1
69.32779	4.0
69.33205	3.8
71.01252	19.1
71.16234	0.7
73.02818	27.0
75.00760	1.2
78.95773	2.8
81.50556	0.8
83.01260	7.2
85.02808	3.2
87.00751	2.2
89.02348	5.3
89.03842	0.7
91.05410	9.2
91.22141	0.7
93.03327	4.2
96.96844	1.8
97.02863	0.7
99.00742	1.8
101.02324	16.9
102.02688	1.0
109.02837	2.4
113.02326	5.0
115.03787	0.7
117.03350	1.8
119.03405	1.9
121.02836	1.2
123.00782	1.0
123.04420	1.5
125.02300	2.0
131.03351	1.7
133.02873	5.6
135.04417	75.6
136.04736	2.9
137.02393	1.7
149.04410	1.9
151.00215	1.8
151.03975	0.8
153.05559	1.0
157.02875	0.8
161.02357	100.0
161.04504	3.9
162.02724	4.0
163.03780	0.9
173.04503	0.9
177.01755	1.5
177.46451	0.8
177.61206	0.9
178.99844	1.2
179.03371	2.2
191.05522	3.6
203.32529	0.8
227.03357	1.7
255.02968	1.6
271.02502	1.6
279.06638	15.1
280.06992	1.2
284.03339	2.9
285.04077	1.5
297.07706	13.4
298.07962	2.1
299.01962	2.3
315.08673	2.9
340.00824	1.6
340.04590	1.5
347.85498	0.8
357.12097	3.7
383.09888	1.1
437.89633	0.9
475.29642	1.0
501.13934	2.5
519.15460	8.9
519.25372	5.2
520.10846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22099	0.4
50.65594	0.4
55.01754	0.9
57.03312	0.5
59.01249	41.0
60.01576	0.9
61.98703	4.3
65.03831	0.7
67.01762	5.7
69.03325	0.9
69.83865	0.5
71.01254	20.1
71.30069	0.9
72.99186	1.3
73.02816	28.4
74.03175	0.5
78.95768	2.8
83.01260	9.2
84.40659	0.4
85.02819	3.6
87.00761	1.2
89.02334	3.4
89.03836	0.5
91.05407	9.0
93.03326	2.4
95.01247	0.7
96.96831	1.1
99.00758	0.8
101.02320	18.9
105.04472	0.5
108.02061	0.6
109.02830	3.9
109.03471	0.6
113.02309	4.9
117.03328	2.3
119.03384	1.7
119.04888	1.0
121.02860	1.7
123.04398	1.4
125.02341	1.7
131.03398	1.3
133.02858	6.0
135.04413	78.1
136.01526	0.8
136.04720	3.0
143.03406	1.2
147.04489	0.7
148.05186	0.5
149.04459	1.3
151.03928	2.3
153.01831	1.3
153.05396	0.5
159.04446	1.0
161.02348	100.0
161.04494	4.1
162.02713	4.9
163.07539	0.7
173.04430	2.0
175.07478	0.9
177.05373	0.5
179.03421	1.6
185.55629	0.5
191.03952	0.6
191.05527	2.9
193.08624	1.8
217.08679	0.6
221.08199	0.6
229.85243	0.5
238.84128	0.5
252.34248	0.4
271.06079	1.4
279.06610	14.5
279.09644	0.8
280.06906	1.3
291.41577	0.5
297.07648	13.8
297.10870	0.5
298.07999	1.2
315.12283	3.8
357.11942	6.8
358.12924	0.6
372.86951	0.5
383.09778	0.8
397.28830	0.5
443.49286	0.5
498.16559	0.5
501.13986	1.9
518.30865	0.7
519.15009	8.5
519.26251	2.4
520.15350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22099	0.4
50.65594	0.4
55.01754	0.9
57.03312	0.5
59.01249	41.0
60.01576	0.9
61.98703	4.3
65.03831	0.7
67.01762	5.7
69.03325	0.9
69.83865	0.5
71.01254	20.1
71.30069	0.9
72.99186	1.3
73.02816	28.4
74.03175	0.5
78.95768	2.8
83.01260	9.2
84.40659	0.4
85.02819	3.6
87.00761	1.2
89.02334	3.4
89.03836	0.5
91.05407	9.0
93.03326	2.4
95.01247	0.7
96.96831	1.1
99.00758	0.8
101.02320	18.9
105.04472	0.5
108.02061	0.6
109.02830	3.9
109.03471	0.6
113.02309	4.9
117.03328	2.3
119.03384	1.7
119.04888	1.0
121.02860	1.7
123.04398	1.4
125.02341	1.7
131.03398	1.3
133.02858	6.0
135.04413	78.1
136.01526	0.8
136.04720	3.0
143.03406	1.2
147.04489	0.7
148.05186	0.5
149.04459	1.3
151.03928	2.3
153.01831	1.3
153.05396	0.5
159.04446	1.0
161.02348	100.0
161.04494	4.1
162.02713	4.9
163.07539	0.7
173.04430	2.0
175.07478	0.9
177.05373	0.5
179.03421	1.6
185.55629	0.5
191.03952	0.6
191.05527	2.9
193.08624	1.8
217.08679	0.6
221.08199	0.6
229.85243	0.5
238.84128	0.5
252.34248	0.4
271.06079	1.4
279.06610	14.5
279.09644	0.8
280.06906	1.3
291.41577	0.5
297.07648	13.8
297.10870	0.5
298.07999	1.2
315.12283	3.8
357.11942	6.8
358.12924	0.6
372.86951	0.5
383.09778	0.8
397.28830	0.5
443.49286	0.5
498.16559	0.5
501.13986	1.9
518.30865	0.7
519.15009	8.5
519.26251	2.4
520.15350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43784	1.3
57.03322	6.4
59.01254	84.5
59.02574	1.4
60.01583	1.4
61.98704	14.9
63.02265	3.3
65.00198	7.4
71.01254	16.6
73.02824	8.6
75.00733	1.5
78.95780	5.1
79.05431	1.5
83.01275	7.9
83.04903	1.8
85.02822	7.8
86.50030	1.2
87.00742	2.7
89.02320	8.5
91.05392	2.9
93.03341	20.6
93.58837	1.2
95.01238	3.0
96.96843	2.2
98.19844	3.8
99.04417	4.4
101.02341	11.2
107.01267	14.5
108.02070	9.3
109.02847	13.8
113.02320	7.7
119.03449	2.3
119.04921	33.1
121.02842	3.7
123.04391	5.3
125.02326	4.3
133.02852	2.4
135.00832	1.5
135.04443	19.1
136.01569	2.0
137.02362	7.4
138.54916	1.3
150.99127	2.6
151.00288	41.7
151.03928	6.3
152.01050	7.5
153.01846	5.8
159.04442	1.8
161.02374	3.7
161.04535	1.9
161.05978	1.5
163.03880	2.2
165.01920	1.5
169.01308	3.2
173.04425	4.3
175.07613	5.1
177.01897	8.1
177.09229	1.6
179.03419	1.5
189.13509	1.2
191.05591	13.8
193.08672	6.2
203.57602	1.4
217.08733	1.3
229.05070	1.3
235.09712	2.3
271.06125	100.0
272.06473	8.6
283.02551	1.3
297.07779	3.2
315.12411	5.3
327.12231	1.4
339.12274	2.1
346.07855	1.3
357.13409	7.3
433.11273	1.9
459.25635	2.0
475.12354	29.5
476.12692	3.9
518.30383	4.4
519.15839	4.7
519.26105	5.1
519.31763	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39133	1.1
59.01250	20.5
61.98698	2.7
71.01260	8.9
73.02823	3.1
73.84235	1.3
78.95773	9.9
85.02818	4.2
87.00759	2.0
89.02309	4.1
90.51250	1.2
93.03345	5.4
96.96835	3.5
98.19728	2.1
98.71085	1.2
101.02337	4.1
101.16242	1.2
107.01257	1.4
108.02047	4.0
109.02835	4.4
112.96217	1.2
113.02323	4.7
118.12587	1.3
119.03479	1.5
119.04916	7.3
123.04478	1.6
125.02399	1.6
128.46272	1.2
133.02861	4.3
135.04425	9.5
147.04352	1.5
148.01543	1.5
151.00259	8.6
151.03902	2.0
152.01021	3.1
153.01903	2.4
159.06517	1.3
161.02371	1.7
163.03934	2.4
164.04675	1.7
165.05446	2.9
173.04462	5.4
175.03920	52.6
176.04306	2.8
179.03427	5.1
183.04431	3.0
184.38966	1.3
187.03941	3.1
191.05557	6.6
193.04921	3.6
195.06569	3.4
199.03856	7.4
215.03381	3.8
215.07045	9.2
227.03444	9.7
228.03680	1.5
233.08154	33.4
234.08508	2.3
240.07066	1.3
242.02182	4.5
243.02937	33.6
244.03497	3.5
251.09221	14.9
255.02942	20.5
255.16835	1.4
256.03381	2.5
257.04559	4.9
270.01694	5.0
271.02460	51.5
272.02957	6.0
281.08160	5.4
285.03955	9.7
286.04916	2.4
287.05606	2.1
299.01947	81.1
300.02652	28.9
301.03015	2.2
314.04315	59.1
315.05069	100.0
316.05478	8.7
316.08435	1.4
339.12390	18.4
356.55716	1.4
357.13376	16.7
443.13315	1.7
501.17581	5.9
508.26251	1.3
519.11401	48.9
519.18616	11.2
519.27283	6.9
520.11963	7.6
520.18719	2.0
531.02063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.4
59.04808	0.3
62.96286	0.3
63.18604	0.2
69.31944	0.6
69.32362	2.3
78.95776	48.2
96.96266	0.5
96.96843	5.8
128.23790	0.3
150.97925	1.3
152.99490	100.0
153.99846	1.6
160.43315	0.3
171.00566	4.2
196.90012	0.2
227.70927	0.3
239.97617	0.3
277.21765	1.0
395.41333	0.3
431.22003	18.8
432.22342	1.6
518.25189	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60842	0.2
59.01253	0.6
62.96290	0.3
69.81420	0.3
71.49387	0.5
75.40989	0.3
77.69278	0.2
78.01466	0.2
78.95777	53.2
87.98322	0.3
89.78920	0.2
90.17226	0.3
96.95902	0.4
96.96845	6.9
150.97926	1.7
152.99490	100.0
153.99838	1.4
171.00563	4.4
189.04355	0.3
277.21756	0.9
431.22006	20.2
432.22403	2.2
518.25146	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.7
55.80861	0.7
57.03316	2.7
57.37336	0.6
59.01250	15.2
67.01752	1.0
69.23804	6.7
69.24214	1.1
71.01253	11.3
72.01632	0.6
73.02821	1.9
81.03326	1.2
83.01266	1.0
83.04897	3.3
85.02822	3.8
87.00752	1.4
89.02314	7.5
93.03320	1.5
95.01257	2.4
97.02834	1.0
99.00721	1.6
99.04412	2.0
101.02334	5.0
102.79607	0.6
103.07436	0.6
104.04959	1.4
106.06508	100.0
107.06838	3.3
108.02061	1.5
108.08076	3.8
109.02875	1.6
113.02331	7.8
118.06506	2.8
119.03453	0.9
119.04899	1.7
120.08094	1.0
123.04477	1.4
124.01505	0.8
125.02332	2.0
130.06496	2.6
131.03467	1.5
132.04427	0.9
135.04414	2.3
137.02335	1.3
138.01796	0.8
146.06004	2.6
147.04424	1.3
149.04495	2.2
150.05515	75.4
151.05843	2.3
152.01031	0.8
155.68231	0.7
161.02328	1.7
161.04472	1.4
164.07089	20.7
165.07413	1.0
173.04443	1.4
174.05583	1.1
178.06252	0.8
179.03358	1.5
188.09282	0.9
191.04004	0.7
191.05534	5.0
192.06612	12.6
193.07048	0.7
194.04527	27.2
195.04897	2.0
196.99400	0.7
206.08102	0.7
211.09663	1.6
212.10062	0.7
236.05605	9.8
237.05943	0.7
250.07315	1.0
278.06726	1.9
296.07745	6.9
339.08884	1.1
350.14395	1.2
356.09872	64.0
357.10056	8.9
387.20303	1.0
398.11008	1.7
473.01187	0.7
518.12573	1.1
518.26276	5.3
519.15186	4.4
519.24609	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
58.00478	0.6
59.01252	100.0
60.01593	1.1
62.40229	0.3
69.46269	2.7
71.01258	6.1
71.01654	0.3
72.99193	0.5
73.02821	4.7
78.95797	0.5
83.01276	1.1
85.02855	1.1
87.00792	0.6
89.02318	2.5
91.05429	0.8
93.03354	0.9
95.01253	0.4
96.96880	0.3
99.00754	0.3
101.02323	5.5
107.04927	0.4
109.02860	0.7
113.02348	2.7
119.03416	0.7
119.04938	1.0
121.02866	0.7
123.04414	0.6
123.08085	0.3
124.72027	0.3
125.02325	0.3
126.15810	0.3
133.02899	0.8
135.04425	5.3
136.04715	0.7
137.02388	0.5
143.03456	0.4
147.04425	0.5
148.97606	0.3
149.06076	0.4
159.04503	0.4
161.02365	7.0
161.04538	1.1
166.08900	0.3
167.07156	0.7
173.04440	0.6
175.07590	2.7
189.23671	0.3
191.03951	0.3
191.05637	1.3
193.08780	0.7
230.88641	0.3
235.06097	0.5
295.09879	1.3
319.09814	0.9
327.18378	0.3
337.10837	1.6
345.19299	0.4
348.05283	0.3
355.11716	2.5
356.12198	0.4
383.17245	0.4
397.22333	0.5
415.23849	0.5
425.18292	0.9
447.67847	0.3
457.15280	0.6
475.16235	1.2
499.16556	0.5
517.17065	2.0
517.30609	1.3
518.17749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03321	2.7
58.00457	2.9
59.01253	79.9
60.01579	1.9
61.98688	1.2
62.37565	0.8
67.01751	1.1
69.03329	1.5
69.63440	6.5
71.01256	60.7
72.01603	1.0
72.99171	3.6
73.02825	20.9
75.00736	0.9
78.95785	1.2
79.08545	1.1
79.19295	0.8
81.03302	0.9
83.01264	2.5
85.02830	9.6
87.00738	2.5
89.02318	100.0
90.02677	1.0
93.03344	2.6
95.01256	1.6
97.02826	3.9
99.00758	33.8
99.04403	2.8
101.02326	36.6
109.02827	1.2
111.04403	1.6
113.02334	11.6
115.03903	1.7
119.03392	3.2
121.02804	1.5
125.02355	10.2
131.03409	13.8
135.04391	2.9
137.02338	1.2
138.06738	2.2
143.03363	1.6
149.04465	47.7
150.04765	1.5
152.01062	2.9
152.08389	1.1
153.09129	7.2
161.02362	0.9
161.04457	3.1
163.03893	1.6
173.04430	4.0
179.03366	1.2
181.04942	1.8
190.09871	2.2
191.05550	21.4
192.05806	1.2
200.88429	0.8
205.12280	62.1
206.12630	4.3
221.06581	1.7
233.06546	5.1
251.07698	3.0
280.74905	0.8
293.08838	4.2
314.60400	0.9
320.06473	0.9
383.07748	1.1
385.18457	1.3
517.22827	13.9
518.24091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60468	2.0
54.33452	1.7
57.03336	3.1
58.00475	2.7
59.01251	79.3
69.03336	3.5
69.30592	14.3
69.31018	7.5
71.01256	77.2
72.99187	2.8
73.02816	24.3
75.00753	2.6
81.03348	2.2
83.01259	4.1
83.04915	2.3
85.02825	11.4
87.00751	4.5
89.02319	100.0
90.02663	2.4
95.01280	2.8
97.02803	4.0
98.20521	3.1
99.00759	41.6
101.02325	31.7
108.02074	2.1
113.02329	12.9
115.03900	2.6
118.72935	1.8
119.03403	3.6
121.60099	1.8
122.07903	2.1
125.02331	20.0
131.03406	16.6
136.05170	2.5
138.06801	7.4
143.03491	2.6
149.04456	38.5
151.07561	6.0
152.08324	20.7
153.09148	24.1
161.04453	5.6
163.11218	5.4
191.05516	24.6
205.12299	48.8
206.12685	3.6
217.13930	2.2
233.06618	24.2
293.08701	13.3
362.81100	2.0
385.18338	3.6
433.15347	2.2
506.22949	2.4
517.15204	1.7
517.22876	52.7
518.23224	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
59.01250	21.6
60.01566	0.3
65.03825	1.9
67.01760	0.4
70.26794	0.8
71.01250	1.6
73.02815	0.7
73.47859	0.3
83.01299	0.4
85.02833	1.1
87.14708	0.2
89.02317	0.3
90.75150	0.3
91.05411	11.0
92.05733	0.4
93.03323	2.5
101.02320	1.3
109.02835	13.2
109.91724	0.2
110.03201	0.5
112.98172	0.3
113.02332	0.5
121.02842	8.5
122.03613	0.9
134.03612	0.5
135.04410	100.0
136.04752	4.3
137.05986	1.8
147.04420	2.3
148.05205	11.9
148.06389	0.6
149.05864	0.9
161.04410	0.3
161.05920	0.3
163.07552	18.4
164.07906	1.0
191.05579	0.7
200.08316	0.7
201.09126	0.6
207.10213	0.9
212.60867	0.3
215.10689	1.5
219.10228	0.4
233.11792	16.6
234.12149	1.4
250.83951	0.3
279.90808	0.3
285.11304	1.1
288.91669	0.3
297.09857	0.4
301.08597	0.3
355.15494	41.0
356.15881	5.7
439.26855	0.9
457.28125	1.3
475.29059	1.5
517.20856	15.2
517.29840	1.4
518.21045	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12503	1.1
57.03331	1.3
58.00445	2.2
59.01255	100.0
66.52567	1.2
69.03330	4.0
69.62215	10.3
70.00961	1.1
71.01259	70.2
72.01568	1.7
72.99165	3.5
73.02812	5.6
73.84608	1.1
81.03339	4.0
83.01266	3.0
83.30550	1.1
85.02834	10.8
87.95114	1.2
89.02321	74.0
91.45087	1.1
92.98339	1.1
93.03336	2.7
95.01244	2.5
97.02837	7.9
97.72201	1.1
99.00746	2.2
99.43629	1.2
101.02325	18.5
113.02337	12.8
119.03403	3.0
125.02336	32.6
131.03397	15.5
135.04382	1.8
143.03419	3.6
148.05200	30.2
149.04474	16.0
149.05585	1.1
159.51395	1.4
161.02361	3.9
161.04477	6.2
162.07346	1.1
163.07561	14.9
173.04530	1.8
175.02040	1.2
183.05305	1.2
191.05547	5.4
215.14410	1.2
233.06520	3.3
248.45724	1.2
293.08798	19.2
472.84439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.3
59.01253	10.2
61.98701	0.4
65.03831	1.9
67.01762	0.5
70.10448	0.2
71.01247	1.4
71.07322	0.3
71.07664	0.5
73.02822	0.6
75.00743	0.3
77.60676	0.3
85.02819	0.5
91.05413	11.8
93.03336	3.3
95.01309	0.3
101.02323	0.8
104.80962	0.3
109.02838	16.0
110.03127	0.8
113.02374	0.6
121.02842	10.4
122.03659	0.6
135.04414	100.0
136.04752	4.0
137.05988	1.5
147.04420	2.3
148.05206	8.0
161.02361	0.6
163.03873	0.3
163.07555	12.4
164.07866	0.5
191.05524	1.1
193.08673	0.5
200.08319	0.5
201.11331	0.3
207.10194	0.6
215.10701	0.8
233.11787	13.3
234.12282	1.3
253.17894	0.4
280.05899	0.3
285.11417	0.3
295.22809	0.3
355.15494	52.7
356.15857	6.9
363.08597	0.3
365.09079	0.3
457.27759	0.4
475.28879	0.7
501.71677	0.3
517.13422	1.2
517.20776	2.6
517.29987	2.4
518.13922	0.3
518.31268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	70.9
58.03666	1.1
59.01252	11.1
71.01266	4.1
78.87247	0.8
82.50698	0.8
83.01254	1.1
85.02834	1.9
89.02312	1.5
99.04398	37.8
101.02322	13.8
113.02330	2.3
124.01629	0.9
125.02336	19.1
126.02628	1.0
135.04381	4.0
152.01042	1.1
163.03920	34.3
164.04251	2.0
178.06270	43.8
179.06653	2.2
181.04985	21.0
182.05302	1.4
191.05539	2.3
193.08620	19.0
194.09047	0.9
196.07347	26.5
197.07735	1.1
211.09698	100.0
212.10049	3.8
355.11932	1.6
413.39352	0.9
431.15738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01251	30.8
60.01581	0.6
61.44177	0.5
65.03828	2.0
71.01263	5.6
73.02827	2.2
77.91027	0.5
78.95790	0.9
83.01280	0.6
85.02834	2.4
89.02317	1.9
89.03828	0.6
91.05407	12.1
91.05953	0.9
92.05787	0.6
93.03347	4.0
95.01250	0.6
95.04895	3.0
101.02325	2.6
106.04122	1.0
107.04897	1.1
108.02055	3.5
109.02822	3.9
111.00812	0.6
113.02341	1.5
117.03342	2.9
119.03381	0.8
119.04916	0.9
119.08549	2.1
121.02848	5.3
122.03638	4.4
123.04390	1.1
130.04126	3.8
133.02853	7.0
135.04414	67.5
136.04742	2.8
137.02335	2.0
145.06467	3.8
146.13757	0.6
147.08017	1.0
150.03082	0.7
157.06535	0.8
159.04416	1.3
160.05263	0.7
161.02354	100.0
162.02713	4.9
163.07555	56.0
164.07930	2.5
173.04567	1.2
173.05951	1.3
175.07558	6.2
187.07570	0.5
189.05629	0.6
191.05565	1.8
193.06818	0.8
193.08629	18.1
194.09084	1.1
201.05482	0.7
203.07184	0.8
205.08658	1.6
215.07108	1.1
219.06586	10.5
235.09776	1.7
237.07669	9.5
245.08200	1.0
277.05029	0.9
307.09741	4.4
319.09943	0.7
337.10803	10.0
338.11111	1.1
355.11856	76.6
356.12250	8.2
368.55377	0.6
368.74142	0.6
373.25876	0.9
499.16287	0.8
517.17096	19.3
517.29266	3.4
518.17523	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35775	3.6
57.03326	52.4
59.01251	100.0
65.89861	3.1
67.90733	3.5
69.76680	21.8
71.01250	30.9
73.02805	11.2
83.04887	4.3
85.02823	10.3
87.00729	5.7
89.02334	19.7
89.76774	3.2
93.03342	4.5
98.19859	4.8
99.00779	6.8
99.04401	32.3
101.02319	32.1
106.06504	48.6
107.50520	3.4
109.02845	5.7
113.02328	13.9
125.02300	20.7
135.04434	4.3
143.99477	3.2
149.04518	3.9
150.05524	43.6
152.01018	14.0
161.02350	4.6
163.03915	20.0
164.07083	12.1
173.04533	6.4
178.06255	26.3
181.04980	8.4
191.05540	25.0
192.06604	7.4
193.08653	13.6
194.04517	16.2
196.07397	17.9
207.99997	11.7
211.06721	4.2
211.09700	70.0
212.10020	4.2
236.05647	6.8
296.55899	3.2
355.28162	3.2
356.09824	43.2
431.15530	7.6
517.12048	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	46.1
61.98701	1.1
65.03815	3.4
67.01460	0.6
67.01762	5.9
69.42765	0.7
71.01243	5.1
71.58051	1.2
71.58439	1.4
73.02807	2.3
75.22144	0.7
78.95775	1.1
83.01257	1.3
83.60286	0.8
85.02802	3.1
87.00727	1.5
87.91327	0.8
89.02312	1.4
91.05409	7.3
93.03336	6.8
99.04401	1.0
100.93276	0.9
101.02310	3.4
108.02068	1.3
108.15786	1.0
108.42750	0.8
109.02841	13.1
111.00066	1.1
111.00763	12.9
113.02262	1.0
119.04939	1.5
121.02848	8.9
122.03653	5.7
123.04365	3.3
133.02805	2.8
134.03598	3.0
134.35506	0.7
135.04413	100.0
136.04732	4.1
137.02324	2.4
137.05916	2.0
147.04417	5.7
148.05191	5.8
149.05928	2.8
153.01758	1.9
153.05457	1.3
159.04408	1.0
161.02376	1.0
161.05974	1.5
163.06445	1.1
163.07555	10.1
164.52289	0.9
165.05450	6.8
173.04428	3.1
179.03331	1.1
191.05513	7.1
195.08046	3.8
197.06007	1.5
209.05934	2.2
215.10733	1.7
221.09721	1.4
223.07416	1.7
233.09836	0.9
233.11813	9.8
235.07452	1.1
239.07095	6.8
247.07498	1.5
247.11165	1.3
249.09262	1.2
251.06894	1.1
253.08485	0.9
263.10712	2.5
273.09125	1.8
275.07047	1.5
275.10828	1.4
276.07748	2.1
277.08539	1.2
289.08643	2.0
301.08746	4.0
302.09012	1.0
303.06592	2.3
304.07394	1.4
305.08218	1.2
307.09747	12.0
308.09985	1.5
312.56967	1.0
317.07996	3.4
319.09744	7.1
321.11111	0.9
333.11005	1.0
336.06290	1.9
345.07492	1.8
345.11380	1.8
347.05179	1.0
351.08731	6.2
355.15540	28.1
356.15948	1.9
363.08716	45.3
363.12485	1.7
364.09113	6.0
380.05264	2.6
407.11258	1.9
420.14728	0.8
455.14676	2.1
457.27972	1.9
465.42465	0.9
473.15790	2.6
475.28894	4.4
499.14230	5.1
517.14807	59.5
517.20892	5.8
517.30402	3.4
518.15216	11.1
518.21661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67472	0.6
52.04665	0.6
55.01771	1.2
59.01247	3.5
61.98696	3.8
65.03833	2.0
67.01765	1.4
70.73580	2.6
71.01263	1.1
75.84632	0.6
78.95762	0.8
79.05405	4.8
91.05405	1.2
93.03335	4.9
95.73983	0.7
105.03356	2.1
107.04926	3.7
109.02840	17.0
113.25160	0.7
121.02858	3.6
121.06453	0.7
123.04413	53.4
124.04724	1.2
129.83533	0.6
130.06522	0.7
131.04951	1.1
132.31360	0.7
133.02864	1.6
135.04419	9.7
137.02344	25.8
138.02701	0.9
147.04390	1.7
149.02362	4.6
149.06041	0.8
151.03918	35.4
152.04312	1.6
155.58504	0.6
159.04385	0.9
161.02333	4.4
163.00290	0.8
163.03912	1.7
163.55142	0.7
165.05469	5.1
166.58675	0.8
166.66911	0.7
167.03397	1.3
173.04465	1.6
173.05948	1.4
175.03940	2.9
175.07605	2.8
177.01825	2.5
179.03462	1.2
183.08058	0.9
187.03905	1.1
189.01837	5.3
191.05556	2.6
193.04932	4.8
195.02974	3.2
199.07585	0.8
201.05530	7.0
203.03458	7.1
203.07109	4.4
211.03963	3.7
215.07080	0.9
227.07098	21.2
228.07330	0.8
229.05101	0.8
239.03505	3.7
240.03947	0.7
243.06508	3.5
253.05040	20.2
254.05443	1.9
255.06618	100.0
256.06961	7.9
269.08121	1.1
323.09286	0.9
337.07266	1.3
345.15863	1.2
346.64059	0.7
347.09265	4.7
365.10294	48.3
366.10529	6.4
379.11874	1.3
389.10406	1.6
407.11453	3.2
499.13986	6.4
500.14523	1.4
517.14948	13.7
517.32050	1.0
518.15564	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	10.2
59.01259	32.9
59.01507	5.7
69.03321	8.8
71.01270	64.6
71.26652	12.1
72.99187	81.0
73.02829	43.3
73.39510	5.9
73.97846	6.3
75.00754	14.1
78.95779	29.6
85.02831	56.1
87.00755	10.4
87.16285	7.4
89.02327	12.5
95.01281	14.5
96.95886	7.7
96.96851	17.7
99.00771	15.9
101.02328	17.1
103.03906	7.9
113.02325	100.0
115.00288	12.9
119.03308	7.3
129.01840	25.7
131.03415	36.7
132.87764	6.6
139.41040	6.6
152.99472	14.2
156.07785	5.7
157.01338	26.6
175.02408	97.1
176.02679	8.1
228.87570	5.9
245.04388	7.9
275.30280	6.5
337.07797	22.3
364.56836	7.9
517.14044	80.0
518.14166	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.0
59.82278	0.5
69.27216	0.4
70.02838	0.8
70.29156	0.5
71.01257	6.2
71.04890	7.2
73.02782	0.5
75.67502	0.4
81.03362	0.5
82.06715	0.4
85.02818	1.6
87.00763	0.7
88.03914	4.4
89.02297	0.6
92.73344	0.5
93.03329	1.6
96.95863	0.7
99.00881	0.4
99.04385	3.0
101.02320	0.7
102.91673	0.5
106.54331	0.5
108.02054	30.3
109.02859	11.5
111.04458	0.7
113.02356	0.5
116.07080	1.0
121.02824	1.0
123.00784	0.5
123.04401	0.5
125.02285	0.6
135.04434	2.3
146.07040	0.9
146.08134	10.7
146.09290	0.5
151.03888	1.3
152.01064	33.9
153.01854	11.3
161.02376	0.6
163.03951	2.4
165.01775	0.6
173.04478	1.6
179.03398	0.6
184.81494	0.4
191.05550	4.9
218.10316	1.6
297.06125	1.1
315.07224	1.8
342.06964	1.3
369.08145	4.1
403.44156	0.6
473.25711	0.6
516.17218	100.0
517.17719	12.0
520.81970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51895	0.4
59.01255	12.5
61.98703	100.0
71.01249	2.5
71.06852	1.3
72.67875	0.4
72.99185	0.6
73.02834	0.8
74.23148	0.4
79.16125	0.5
83.01254	0.5
85.02830	1.4
87.00780	0.5
87.43887	0.4
89.02344	0.9
89.90939	0.4
91.05411	0.4
93.03344	1.0
95.04989	0.4
101.02334	1.7
109.02843	5.3
110.74911	0.4
111.04396	0.5
113.02335	0.9
121.02863	0.8
123.04472	0.6
134.03621	0.8
135.04419	11.2
136.04790	0.6
137.02368	0.9
146.03624	1.2
147.04414	2.5
148.05290	0.7
148.42422	0.4
149.06047	2.2
158.03693	0.4
159.04434	7.3
160.04990	0.5
161.04562	0.4
161.05997	0.7
162.25746	0.3
163.03926	1.0
172.05266	1.0
173.04489	1.8
173.06024	4.2
174.06761	0.7
175.03926	0.8
175.07549	1.2
176.04706	4.0
177.01768	0.4
185.05978	0.9
186.06876	0.7
187.03947	0.9
187.07584	2.6
188.04655	1.2
188.08176	0.4
189.05528	1.5
189.09273	0.7
190.06577	0.5
191.03824	0.8
191.05499	3.8
197.05988	0.8
199.07584	1.2
200.04749	1.6
201.05534	1.1
201.13571	0.4
205.08638	7.0
205.10440	0.6
211.03995	0.7
211.07608	1.0
214.06364	1.3
215.07072	5.2
216.07848	1.2
217.08641	12.1
218.08974	0.8
226.06306	2.1
227.07162	0.5
229.08640	4.3
229.80142	0.4
243.10240	1.2
255.10225	7.7
256.10492	0.5
267.06631	0.5
268.07571	1.1
292.07364	1.0
293.08224	0.8
295.09763	0.7
308.10648	0.5
309.24435	0.8
313.14487	0.9
321.11188	2.7
347.12820	2.2
353.23444	1.1
355.15509	1.8
362.07779	0.6
365.13904	18.9
366.14157	3.2
453.11856	0.7
472.33792	0.5
515.28040	0.7
516.13770	0.5
516.29266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66000	1.5
54.34455	1.3
59.01249	6.8
65.28826	1.5
69.03326	4.4
70.45604	3.5
70.46004	3.0
72.99462	1.4
73.72605	1.6
75.04236	1.4
78.95783	5.1
84.20329	1.3
105.13435	1.4
107.08555	4.7
125.09612	4.9
137.09621	1.9
139.11154	2.7
151.11134	2.1
167.10718	4.4
179.14328	5.2
195.13860	15.9
198.13985	1.6
199.09666	2.4
199.13283	2.4
201.11227	2.5
205.12297	8.3
205.15906	1.8
223.13364	100.0
224.13716	6.3
237.11133	1.6
247.20755	2.3
253.87735	1.4
263.20123	1.7
291.19684	74.4
292.19943	7.9
309.20743	54.9
310.20984	3.3
347.26083	8.1
348.26187	1.6
365.27106	1.7
497.32687	13.7
498.32953	2.6
515.20886	1.4
515.27167	2.1
515.33856	5.8
544.02142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60585	3.2
53.61345	3.1
57.32308	3.0
59.01231	5.1
75.74806	3.6
78.95786	3.8
89.00931	3.1
92.83720	3.4
97.97264	2.9
98.20664	5.7
107.08556	4.1
112.18010	3.0
139.11111	3.7
149.28510	3.9
195.13762	5.9
199.13315	5.3
205.12076	3.7
205.15901	3.6
216.66025	3.6
222.42326	3.2
223.13358	46.9
224.13782	4.3
291.19656	46.0
309.20706	100.0
310.21014	8.2
347.25778	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
58.00472	0.1
59.01253	5.4
59.06498	0.1
62.66640	0.1
69.29181	0.3
69.29585	0.9
71.01254	4.2
72.99191	0.3
73.02811	0.9
83.01235	0.5
85.02819	1.0
87.00758	0.4
89.02312	3.3
91.03886	0.1
95.01260	0.3
97.02827	0.1
97.33308	0.1
99.00742	0.2
101.02324	4.1
103.03889	0.1
111.75189	0.1
113.02331	1.7
115.03926	0.1
119.03416	0.9
125.02308	0.3
127.02995	0.1
131.03383	0.1
133.04959	0.2
143.03386	0.3
143.30276	0.1
152.99507	0.2
157.04880	0.1
161.04468	1.7
172.35910	0.1
179.05540	0.7
235.08199	0.9
253.09268	15.0
254.09558	0.7
261.22125	0.4
276.33176	0.1
279.23279	100.0
280.23633	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21135	0.1
55.01747	0.3
57.03313	0.2
57.19316	0.1
58.00463	0.2
58.95699	0.1
59.01250	6.1
60.10537	0.1
66.54917	0.1
69.31921	0.1
69.32314	0.8
71.01250	4.9
72.99174	0.3
73.02827	1.0
78.95780	0.6
80.03703	0.1
83.01240	0.7
83.04885	0.1
85.02827	1.4
87.00750	0.7
89.02316	3.8
91.03864	0.2
92.89754	0.1
95.01257	0.4
96.96846	0.1
97.02821	0.2
99.00758	0.3
101.02322	4.9
113.02327	2.2
115.03866	0.1
119.03379	1.1
125.02295	0.2
125.09676	0.2
131.03424	0.2
133.04935	0.3
143.03337	0.5
152.99493	1.1
157.04863	0.1
161.04466	1.8
179.05527	0.7
183.88638	0.1
235.08170	1.0
253.09264	16.0
254.09576	1.1
261.22238	0.3
279.23282	100.0
280.23630	11.5
356.21854	0.1
433.23483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2863
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
51.60480	0.7
57.03315	1.3
59.01252	33.9
60.30708	0.7
61.98687	1.8
67.01772	0.8
69.03319	0.8
69.43371	1.7
69.43773	6.1
71.01257	13.5
72.99170	0.8
73.02054	0.7
73.02811	7.9
74.45888	0.6
83.01246	2.8
85.02827	7.0
85.99991	1.3
87.00750	5.5
87.04393	3.5
89.02304	2.6
93.03351	2.0
95.01265	1.8
99.00749	2.0
101.02328	9.1
101.05928	0.7
111.00757	4.7
113.02335	4.1
113.34708	0.7
121.02856	1.3
124.01565	0.7
125.02362	1.3
126.41117	0.7
135.04420	3.1
136.04686	0.9
169.94757	0.8
171.10135	1.0
173.04453	3.0
179.03476	1.2
191.05569	9.9
212.09529	0.7
215.25740	0.8
223.16977	14.5
224.17348	1.6
235.16878	1.2
241.37344	0.8
251.16534	0.8
275.20175	2.3
279.19571	0.8
293.21216	7.3
309.20682	1.4
309.24323	1.6
311.22290	16.1
312.22763	1.5
353.23264	2.4
455.26486	9.9
456.26834	2.0
473.27545	21.9
474.27863	2.9
497.27426	1.5
515.28607	100.0
516.28973	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	0.6
59.01249	3.1
66.86624	0.4
67.01762	3.0
69.03337	0.7
71.01255	3.0
71.56432	0.6
73.02810	0.6
75.00745	0.5
78.95795	0.5
81.03329	0.7
83.01253	0.5
83.04903	1.0
85.02818	7.8
87.00766	3.1
88.03935	0.6
89.02330	1.2
93.03336	17.8
93.47481	0.4
96.96854	0.9
99.00766	0.6
99.04392	0.5
101.02346	0.4
107.04909	0.6
109.02846	1.2
110.82773	0.4
111.00743	0.9
111.04390	4.2
113.02325	0.9
117.03348	0.7
123.63887	0.4
127.03932	2.1
129.01845	0.6
130.05034	0.7
132.02126	0.7
133.02861	3.7
134.03627	1.5
135.04416	58.5
136.04782	2.6
137.02324	2.5
155.03430	2.9
160.01639	1.3
161.02356	22.4
162.02660	0.8
173.04477	33.2
174.04767	1.4
177.05553	0.7
179.03419	73.6
180.03792	3.0
191.05544	100.0
192.05875	3.3
267.56506	0.4
323.07721	19.8
324.08136	1.7
335.07651	0.4
341.08636	17.0
342.09146	1.2
353.08646	11.8
354.09265	0.8
515.14056	28.5
516.14417	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.4
60.99176	0.7
63.19994	0.3
64.21926	0.3
67.01762	2.3
69.03344	0.4
71.01247	1.4
72.73248	0.3
72.99177	0.5
81.03303	0.7
83.04861	0.5
85.02823	4.3
87.00745	4.4
93.03333	14.8
94.03655	0.4
96.95913	0.6
97.02801	0.4
99.00783	0.5
99.04391	0.4
107.04941	0.4
109.02834	1.7
109.41283	0.3
111.04409	2.7
127.03890	1.2
129.01848	0.7
133.02864	1.2
134.03593	0.6
135.04411	17.8
136.04736	0.8
149.05981	0.9
155.03424	0.6
161.01067	0.5
161.02342	7.8
162.02716	0.3
171.02850	0.4
173.04469	5.6
173.05832	0.2
177.05635	0.3
179.03427	15.0
180.03786	0.8
191.05533	100.0
192.05894	3.4
221.04524	0.6
233.06642	0.3
249.07733	0.5
323.07654	1.0
341.08722	0.7
353.08685	11.3
354.08899	0.7
395.09778	3.1
396.10168	0.5
515.14026	36.2
516.14319	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.6
67.01759	4.0
69.57168	2.1
69.57581	4.3
70.67506	1.2
71.01254	3.4
83.04931	1.0
85.02833	4.0
87.00748	1.3
89.02325	1.4
93.03334	22.9
98.19803	1.5
99.04356	0.8
104.18659	1.0
107.04948	0.9
109.02818	1.6
111.00764	1.0
111.04411	5.4
127.03872	1.8
133.02805	0.9
134.03596	1.6
135.04416	78.0
136.04758	3.2
137.02336	3.8
147.76740	0.8
155.03418	4.9
161.02342	7.7
173.04463	59.6
174.04744	2.1
179.03419	100.0
180.03696	3.3
191.05542	45.7
192.05882	1.6
323.07642	3.6
341.08755	41.9
342.09128	3.9
353.10745	8.2
515.13995	31.5
516.14282	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22081	0.5
55.70261	0.4
59.01250	1.5
60.87730	0.4
67.01757	0.9
69.48310	4.1
71.01247	1.6
71.80886	0.5
72.64108	0.5
73.02859	0.6
81.03335	0.9
83.04908	0.5
85.02824	14.0
87.00752	2.9
93.03333	6.8
109.02821	1.2
111.04395	1.7
117.03344	1.4
127.03895	3.0
127.74380	0.5
132.02071	1.6
133.02856	9.3
134.03323	0.5
135.04413	6.6
136.10733	0.5
160.01540	3.5
161.02353	52.0
162.02682	1.6
171.02908	0.9
173.04443	2.6
179.03413	4.5
191.05539	100.0
192.05864	3.4
323.07715	42.9
324.08157	2.5
341.08725	2.2
353.08792	1.9
515.14044	17.1
516.14178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01246	1.2
59.22624	0.2
65.03815	0.2
67.01765	0.6
70.91389	0.5
70.91724	0.4
71.01244	1.2
72.15430	0.2
73.02826	0.3
73.27530	0.2
77.63075	0.3
81.03320	0.4
83.04897	0.5
85.02822	11.8
87.00745	2.5
93.03336	4.9
96.32576	0.2
99.04414	0.7
106.11040	0.2
109.02845	1.2
111.04420	1.5
117.03351	1.7
123.04393	0.2
127.03902	3.0
132.02051	2.2
133.02859	9.6
134.03220	0.3
135.04417	3.7
137.02341	0.5
155.03419	0.4
160.01561	3.6
161.02354	52.2
162.02690	2.1
171.02910	0.7
173.04485	1.9
175.02020	0.2
179.03423	3.5
191.05542	100.0
192.05919	3.7
208.64516	0.3
323.07709	38.4
324.08051	2.8
341.08884	1.8
342.08987	0.2
353.08670	3.2
354.09033	0.3
395.09750	0.5
414.24197	0.3
515.14056	23.7
516.14453	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.135
Annotation	Gericudranin A
Peak:m/z	Relative Intensity
55.01757	0.7
55.42176	0.6
59.01251	16.2
61.98414	0.8
61.98703	7.9
65.03839	3.4
67.01768	4.0
69.03336	1.3
71.01244	3.7
71.38316	0.7
72.99176	0.5
73.02819	1.3
73.07687	0.5
79.05392	1.4
81.03348	1.0
83.01254	1.3
83.04892	1.1
85.02824	2.5
87.00761	1.2
89.02319	1.2
93.03344	5.1
97.02820	1.2
101.02313	2.0
107.04906	1.0
108.02044	1.3
109.02840	12.6
111.00760	19.3
111.04358	0.8
113.02322	1.2
119.04906	1.7
121.02831	6.5
122.02825	1.1
122.03631	15.6
123.04417	21.6
124.04685	0.6
125.02399	0.7
133.02823	1.9
135.04413	14.8
136.04771	0.9
137.02319	2.0
137.05995	0.9
147.04416	1.9
148.01555	3.4
149.02324	3.2
150.03101	1.6
151.03929	7.6
153.01796	3.7
153.12820	0.6
155.03357	0.8
158.62352	0.6
159.04395	1.1
161.02328	1.1
163.03914	15.2
167.20346	0.6
171.08069	0.6
173.04468	3.5
173.05743	0.8
175.07658	0.7
178.10062	0.7
179.03380	1.5
181.06425	1.1
183.08005	0.7
191.05508	9.7
194.07224	0.6
195.04425	0.8
195.08096	6.2
197.05939	2.1
208.05241	0.8
209.06001	2.7
211.07442	0.8
219.11797	0.7
221.09712	0.8
223.07541	3.3
225.05573	1.2
231.08116	1.0
233.94933	0.6
234.06851	0.9
235.07692	1.1
237.05431	0.8
237.09108	1.5
239.07098	10.6
239.10719	0.9
245.09712	1.4
247.07573	2.5
247.11394	0.8
249.05598	1.2
249.09273	1.2
251.07068	2.5
251.10803	1.3
253.08607	2.3
257.09668	0.7
259.07663	1.6
260.08377	1.3
261.09180	1.0
262.06369	0.9
263.10715	4.1
265.08670	0.8
273.09268	2.8
275.07120	2.0
275.10760	2.6
276.07846	2.0
277.05157	1.3
277.08679	2.0
281.08151	0.9
286.06387	1.0
286.15814	0.6
287.10815	0.8
289.08612	3.0
289.11874	0.6
291.06592	0.9
291.10312	1.4
299.10678	0.7
301.08716	4.5
302.09317	2.9
303.06534	3.1
303.10120	1.6
304.07336	1.8
305.08212	1.7
306.08914	0.8
307.09747	14.7
308.10141	1.4
309.07550	0.8
309.20752	0.7
309.24179	1.0
311.22253	0.6
315.10284	0.7
317.08200	4.2
317.11349	0.9
318.08817	1.3
319.09695	10.2
320.06677	0.8
320.10028	0.8
321.11295	0.9
331.09952	0.9
333.11145	1.2
336.06406	1.8
343.13220	1.1
345.07483	1.8
347.09283	0.8
349.07068	1.8
351.08722	10.6
352.08972	0.9
353.23584	1.5
359.13077	1.3
361.06952	1.2
361.10815	4.8
363.08737	58.7
364.09137	6.6
365.14120	1.2
369.11530	1.0
380.05356	3.4
390.07526	2.4
403.11630	1.8
405.09872	4.4
409.14511	1.3
453.13422	0.8
455.26431	0.8
471.14597	4.8
473.27591	0.8
487.13953	1.9
497.12463	2.7
515.13446	100.0
515.27917	4.6
516.13776	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10375	4.2
59.01250	27.8
70.69601	14.7
71.01258	27.9
73.02804	6.2
74.65793	3.9
75.00729	5.0
78.95759	7.7
79.15932	5.1
85.02823	12.6
87.00726	5.9
89.02320	35.4
93.02799	5.1
93.03344	18.4
94.78464	4.3
96.96818	5.6
101.02312	15.6
111.04426	7.7
113.02333	7.9
119.03399	11.2
135.04416	31.4
137.02338	5.2
142.99751	13.1
155.03384	5.2
161.02333	13.6
161.04390	7.9
173.00859	5.4
173.04510	43.5
179.03458	36.8
179.05510	19.7
191.05542	71.1
323.07657	12.9
341.07486	5.2
341.11020	100.0
342.11270	7.0
353.08615	5.8
382.24963	4.7
515.13898	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.01250	4.8
60.99167	1.0
67.01752	3.8
69.03336	1.0
71.01237	3.3
75.84089	0.6
76.37779	0.7
77.52512	0.7
78.05496	0.7
83.04917	1.3
85.02824	4.3
87.00727	0.8
91.11992	0.6
93.03333	22.2
94.03664	1.0
98.20605	1.1
99.04356	0.8
101.02323	1.0
107.04902	1.0
109.02847	2.0
109.71308	0.5
111.00755	1.2
111.04415	3.7
113.02313	1.5
123.18044	0.7
127.03908	1.4
133.02844	1.9
134.03619	2.9
135.04411	60.6
136.04744	2.7
137.02324	5.3
152.03127	0.6
155.03421	4.9
159.61615	0.7
161.02357	5.5
173.04469	100.0
174.04832	3.9
179.03415	67.1
180.02249	0.7
180.03729	4.1
191.05542	39.7
192.05957	1.8
196.24437	0.6
198.39632	0.6
203.03415	3.3
251.07031	0.9
255.06561	0.9
272.38501	0.7
299.05533	1.2
323.05591	0.8
335.07681	1.0
346.66003	0.7
353.08759	69.8
354.09143	6.4
422.73071	0.6
434.89075	0.8
515.11578	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97704	0.6
57.03324	8.7
57.17752	0.7
59.01250	11.4
60.99178	2.1
67.01762	6.3
69.03326	1.5
69.25150	3.3
69.25581	4.6
71.01257	9.6
72.99176	0.7
73.02840	1.7
75.00749	1.0
78.62209	0.6
79.10059	0.8
81.03345	1.8
83.01266	1.5
83.04931	2.0
85.02828	16.2
87.00760	11.3
89.02322	3.3
90.53535	0.7
91.20856	0.8
93.03337	39.0
94.03625	1.1
95.01276	1.4
96.95892	1.1
99.00777	2.1
99.04401	4.4
99.98497	0.6
101.02351	3.6
108.02061	1.3
109.02838	44.5
110.03219	1.7
111.04388	6.9
113.02310	4.8
116.92758	1.3
119.03384	1.2
123.04432	1.4
125.02337	2.3
127.03912	2.5
133.02876	1.3
135.04416	14.9
137.02322	1.7
139.00186	0.9
141.01848	2.0
145.02847	16.7
146.03482	0.7
149.05911	0.9
151.03905	2.6
152.01048	1.9
153.01826	1.4
153.05505	0.9
155.03418	3.1
159.04411	3.0
161.02345	12.7
161.04552	1.2
161.05957	10.5
173.04478	22.7
173.05995	1.2
174.04872	1.0
176.04774	2.6
179.03421	14.8
186.03130	1.1
187.03937	15.5
191.05542	100.0
192.05881	3.5
194.05725	3.3
205.04945	1.4
209.06085	1.1
209.08105	8.2
213.01842	3.2
214.02591	1.4
219.06451	1.3
223.30234	0.8
225.05383	0.8
231.02956	1.1
233.06117	1.5
235.07460	1.0
237.05721	1.1
237.07657	3.6
238.06171	0.8
239.03435	3.4
240.04234	1.6
251.03275	0.9
251.07063	1.1
253.05003	4.6
253.48682	0.7
254.05626	1.0
255.06572	5.5
263.03464	1.2
264.04306	0.8
277.05011	1.6
279.02951	4.4
279.06372	1.3
280.03723	1.7
281.04529	15.0
282.04877	2.4
295.06027	0.7
297.07684	9.0
305.04465	6.1
323.05569	17.3
324.05902	1.1
335.02139	0.8
341.06625	19.4
342.06976	1.0
351.00995	0.7
353.08743	0.8
477.13504	0.8
492.18137	0.8
515.11841	88.8
516.12213	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78359	0.6
59.01248	7.2
67.01714	0.6
71.01247	2.6
73.02829	1.7
75.23575	0.6
79.69656	0.6
81.03347	0.9
83.04920	1.2
84.34918	0.5
84.84946	0.5
85.02824	8.0
87.00749	1.8
89.02303	0.8
93.03333	5.1
95.01257	0.7
96.95885	6.0
101.02333	0.9
107.04924	1.1
108.02049	7.5
109.02848	6.6
111.03656	0.8
111.04407	2.4
113.02312	0.8
115.40600	0.5
119.03336	0.6
125.05994	1.0
127.03878	1.6
128.75865	0.5
133.02817	1.9
134.03619	4.1
135.04417	54.6
136.04745	2.5
137.02341	1.3
143.07001	0.9
152.01064	7.7
153.01834	2.4
155.03391	2.0
161.02344	5.8
173.04451	5.8
179.03426	51.6
180.03728	1.7
191.05544	100.0
192.05865	3.9
221.08060	0.8
253.08615	1.8
267.69788	0.6
295.31561	0.7
323.05511	1.1
353.08759	61.5
354.09161	5.9
455.15347	0.6
459.36649	0.8
471.18896	1.0
492.10791	0.6
515.17621	13.2
516.18201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01744	0.5
51.05391	0.6
57.03329	1.1
59.01252	8.6
67.01772	2.9
69.03339	1.3
69.44428	5.2
71.00916	0.8
71.01255	4.4
71.76020	0.6
73.02837	1.4
81.03346	1.7
83.04906	2.3
85.02822	7.9
85.31411	0.6
87.00772	2.3
87.19263	0.6
89.02360	0.9
93.03339	25.2
94.03675	0.8
96.56651	0.6
96.95928	2.9
101.02334	1.0
107.04938	1.5
108.02060	0.8
109.02821	3.5
111.00794	0.7
111.04412	7.5
113.02325	0.7
114.93388	0.6
115.91939	0.6
116.92755	1.2
117.03407	0.8
127.03898	2.2
131.58223	0.5
133.02858	9.8
134.03668	5.4
135.04424	89.1
136.04794	4.0
137.02368	8.0
147.04395	0.8
152.01114	0.7
153.01834	1.4
155.03418	12.9
156.03911	0.6
161.02371	28.4
162.02736	1.4
173.04485	100.0
174.04852	3.4
179.03435	86.5
180.03787	3.7
191.05551	74.2
192.05946	2.7
203.03409	1.7
229.01483	0.7
251.07184	1.4
253.08723	2.8
258.87695	0.6
279.06686	1.1
289.11841	0.5
297.07535	1.2
323.05536	5.7
324.05972	0.9
335.07706	13.6
336.08121	1.2
343.13004	1.0
353.08774	80.3
354.09177	5.4
408.60370	0.6
515.11798	28.6
516.11926	4.1
542.38080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42117	0.2
59.01257	3.5
59.61068	0.2
60.01590	0.5
61.01674	0.3
61.98708	100.0
62.98422	0.2
66.70943	0.2
69.25831	2.5
71.01263	0.7
81.03358	0.4
82.02873	0.4
83.01266	0.3
83.04891	0.3
85.02843	0.7
87.00767	0.3
89.02355	0.3
93.03358	0.9
94.02889	0.5
101.02333	0.2
108.02053	0.7
109.02849	0.9
109.12147	0.2
133.02898	0.3
135.04428	1.1
137.02325	0.3
143.04994	0.3
147.04396	0.2
152.01054	0.5
153.01917	0.5
161.02396	0.2
173.04491	1.0
179.03474	0.7
191.05557	3.5
251.07123	1.1
253.08809	0.5
279.06711	0.4
281.09079	0.3
282.10275	0.3
301.11957	0.5
313.12112	0.3
323.05640	2.1
342.24084	0.2
353.08954	0.4
381.67630	0.2
399.86823	0.2
438.17215	0.3
452.33347	0.7
453.33417	1.0
454.33786	2.5
514.16595	0.6
515.11145	0.4
515.18060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35301	0.2
55.01766	0.5
57.03321	0.3
58.00472	0.4
59.01252	8.2
60.01611	0.3
61.80782	0.2
70.91801	0.6
70.92175	0.5
71.01257	5.8
72.99214	0.3
73.02835	1.3
82.86758	0.2
83.01260	0.7
85.02832	1.1
87.00755	0.6
89.02321	4.7
90.90776	0.3
91.03848	0.3
95.01273	0.5
97.02834	0.6
99.00751	0.4
101.02326	4.6
103.77453	0.2
108.09885	0.2
113.02343	2.7
119.03427	1.3
131.03386	0.3
133.04936	0.5
143.03441	0.4
161.04482	1.6
167.51694	0.3
179.05551	0.6
189.84824	0.2
211.54155	0.3
235.08174	0.8
253.09273	13.3
254.09596	0.8
275.20221	0.6
277.21732	100.0
278.22070	9.3
278.24524	0.2
353.66821	0.2
406.90137	0.3
530.92816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57861	0.2
55.01744	0.3
59.01250	6.3
60.49776	0.2
68.17062	0.1
70.10770	0.3
70.11145	0.3
71.01254	4.5
72.99176	0.3
73.02820	1.3
83.01251	0.6
83.04889	0.3
85.02827	1.1
87.00761	0.7
89.02315	3.6
95.01280	0.2
95.67020	0.2
97.02856	0.3
98.19888	0.2
101.02322	4.2
103.03904	0.2
113.02325	2.0
113.20626	0.2
119.03394	1.0
122.73156	0.2
125.02375	0.2
131.03395	0.2
133.04958	0.3
139.74707	0.2
142.53494	0.2
143.03368	0.4
157.05006	0.2
161.04454	1.5
173.69513	0.2
179.05595	0.7
233.22795	0.3
235.08180	0.9
253.09261	15.3
254.09671	0.7
275.20193	0.4
277.21710	100.0
278.22058	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03323	0.3
59.01250	9.3
61.98704	0.5
71.01254	7.1
71.49731	0.5
72.99168	0.4
73.02811	1.1
78.95761	1.7
83.01237	0.7
85.02811	1.7
87.00741	0.9
89.02316	5.4
91.49961	0.2
95.01250	0.7
99.00755	0.6
101.02327	6.8
113.02313	3.1
117.74998	0.3
119.03417	1.6
127.07529	0.3
130.01331	0.2
131.03452	0.3
140.10176	0.3
143.03394	0.6
149.04503	0.3
151.67043	0.3
152.99483	2.2
161.04472	2.0
177.09163	0.2
179.05510	0.8
235.08186	0.8
253.09258	20.8
254.09599	1.2
259.20587	0.4
260.82538	0.3
263.20221	0.4
263.34467	0.3
277.21710	100.0
278.22046	10.9
297.49207	0.3
322.58893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
79.05413	0.6
91.25785	0.2
93.03338	2.3
107.04909	3.0
114.90026	0.3
119.04914	100.0
120.05241	4.1
134.03613	1.0
147.04401	0.4
148.05164	0.3
159.04385	0.4
166.02631	1.2
171.08028	0.6
173.04607	0.3
173.05951	1.5
174.06763	1.0
177.09134	0.3
189.09135	79.1
190.09473	5.0
191.05475	0.4
203.10704	8.0
204.11011	0.5
205.32460	0.2
215.10814	0.5
229.72211	0.2
281.93729	0.2
309.14954	28.2
310.15247	3.8
479.87659	0.2
513.26538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2699
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01746	1.2
58.00457	1.2
59.01251	74.8
61.98691	1.5
66.77945	0.7
67.01740	0.8
68.42489	0.6
69.03313	1.8
69.62186	6.0
71.01257	39.6
71.04874	1.4
72.99168	3.6
73.02821	41.6
80.62691	0.7
80.78540	0.8
81.03313	1.7
83.01253	12.7
83.04909	2.2
85.02833	6.3
85.06432	0.8
87.00750	3.2
89.02320	6.7
93.03331	3.8
95.01261	1.2
97.02845	0.8
99.00768	1.7
101.02325	29.8
109.02841	1.5
111.04431	1.1
111.08003	1.3
113.02335	9.9
119.03381	1.4
121.02887	1.4
125.02312	1.7
131.03400	1.7
133.02802	2.3
135.04422	3.0
137.05972	1.2
143.03430	1.4
148.10724	0.7
155.03360	1.2
157.13464	0.8
161.02367	1.0
161.04472	3.9
171.00192	2.5
171.10141	1.8
173.04485	2.9
175.07570	0.9
179.03294	1.1
179.10738	0.9
191.05557	9.9
192.05933	0.9
195.13728	0.8
209.11885	0.8
229.19632	1.7
233.15166	0.7
247.16936	2.6
249.18536	1.2
265.18039	6.7
273.18698	4.8
291.19669	33.6
292.20111	4.2
309.11374	8.8
309.20770	3.3
310.11615	1.0
313.10898	1.7
338.44388	0.8
351.08173	3.3
359.06717	1.1
370.21710	0.8
451.30200	0.9
453.24734	5.1
469.31714	3.9
471.25931	9.4
472.26129	0.9
513.26941	100.0
514.27295	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10408	0.3
57.03302	0.4
59.01252	3.7
69.54522	2.0
71.01262	0.8
73.02828	0.8
77.96394	0.3
79.05424	0.6
85.02825	0.9
87.05132	0.3
93.03339	8.0
95.01248	0.3
97.02807	0.4
101.02302	0.7
107.04909	4.0
109.06425	0.3
113.02323	0.6
119.04917	100.0
120.05260	3.7
121.02868	0.7
133.02838	0.4
134.03638	1.5
135.04398	0.5
147.04436	1.3
148.05202	1.3
159.04454	0.6
162.03117	1.2
166.02614	1.6
171.08046	0.5
173.04547	0.7
173.06038	1.6
174.06796	1.2
177.09085	1.1
187.07654	0.5
189.09142	72.4
190.09509	4.3
191.05571	1.6
192.22650	0.3
203.10716	24.1
204.11057	1.6
215.10788	2.0
265.32236	0.3
291.19357	0.4
299.55209	0.4
309.14948	29.9
310.15332	3.2
325.24088	0.6
379.04370	0.4
513.20776	0.5
513.27399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82294	1.3
55.01753	2.9
57.03318	4.4
58.00437	1.4
59.01252	100.0
68.35943	1.2
69.03304	1.6
71.01256	30.6
71.58727	2.3
72.99190	2.5
73.02826	11.9
83.01258	5.0
85.02831	12.0
86.68889	1.3
87.00744	2.0
89.02316	15.2
93.03344	5.8
95.01260	3.1
99.00732	3.5
99.04397	2.2
101.02327	21.4
103.03948	1.4
108.02096	1.7
109.02836	2.1
111.04447	2.5
113.02327	14.3
119.03384	6.1
119.04902	1.8
125.02354	1.9
133.02789	1.9
135.04419	5.7
137.02322	2.4
143.03416	1.9
146.05966	2.0
147.54228	1.7
149.09837	1.3
161.02336	2.6
161.04456	2.7
171.10165	4.8
173.04420	8.0
179.03308	1.9
179.05574	2.3
191.05548	18.4
193.04889	1.6
199.09749	1.6
201.01656	1.3
210.07599	1.5
215.12840	23.0
216.13148	2.9
221.15472	2.9
234.62756	1.5
253.09247	4.2
330.27469	1.4
427.19907	10.2
469.20831	57.7
469.31033	2.7
470.21213	7.0
471.26474	2.2
513.19995	1.9
513.27734	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08650	0.7
70.38926	0.6
71.01257	1.1
71.56860	1.2
78.95778	41.2
85.02847	0.9
85.93646	0.7
89.02336	0.8
96.96841	100.0
99.00718	0.9
113.02316	0.8
126.23306	0.7
165.04124	0.7
170.90158	3.5
191.05424	0.7
212.90762	0.9
214.89014	0.7
296.07217	0.8
415.27277	0.8
513.12231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.4
58.00463	1.2
59.01252	100.0
67.01751	1.3
68.67995	0.9
69.03320	2.5
71.01251	30.8
71.58727	2.0
72.99193	2.0
73.02811	10.7
75.00735	1.4
81.03344	2.1
83.01271	4.0
83.04905	1.5
85.02820	11.5
87.00748	6.6
89.02316	6.9
89.05946	3.9
93.03327	10.0
95.01288	1.6
96.95901	2.8
97.02831	2.0
97.06467	1.6
99.00768	3.6
99.04403	3.2
101.02327	11.0
108.02077	4.2
109.02846	4.4
111.04405	2.3
113.02337	11.4
116.92767	2.6
118.07224	1.2
119.03393	2.0
119.04919	8.1
121.02851	11.9
121.06451	1.2
122.03607	2.3
122.06022	2.8
123.04396	1.3
124.01599	1.2
125.02348	4.8
127.03909	1.2
133.02834	3.0
134.03629	1.7
135.04413	13.9
135.05305	1.4
137.02354	2.9
137.05907	1.1
139.07518	1.2
139.82272	1.2
139.84943	1.2
147.08081	1.3
149.02321	1.5
151.03902	2.1
152.01018	2.2
152.07106	1.7
153.01836	1.7
159.02924	1.2
160.03999	1.2
161.02364	2.8
161.04472	3.1
173.04498	8.2
177.01871	2.5
179.03377	5.0
179.05626	1.1
189.09166	5.2
191.05536	32.1
192.05843	1.9
203.10675	4.1
221.11809	4.6
237.07570	3.0
247.09727	4.6
272.89276	1.2
289.10782	1.4
291.08746	1.5
301.10974	1.5
309.11484	2.4
309.14917	2.6
317.11447	3.8
319.12134	1.6
347.15024	1.2
353.08716	1.9
355.12210	1.5
373.13171	1.2
381.11911	4.1
383.17087	1.8
391.13986	3.6
409.14966	2.1
423.13068	2.8
427.15720	1.7
451.16080	43.1
452.16348	4.3
453.25204	2.6
469.17075	50.2
469.31766	1.7
470.17542	7.6
471.25797	3.3
513.20404	1.8
513.26465	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.5
61.98699	2.7
66.38062	1.3
68.20205	1.3
71.01263	7.1
71.58053	2.1
73.02824	2.3
77.67007	1.3
83.01276	1.5
83.04863	1.9
85.02814	3.5
89.02337	2.5
91.48615	1.6
93.03328	4.4
96.92484	1.5
96.95879	2.0
101.02309	3.6
108.02057	6.8
108.04507	1.6
109.02867	8.1
110.06013	8.4
111.04387	1.8
118.77458	1.4
121.05225	3.4
122.06013	11.1
123.04373	2.3
133.02779	2.1
134.32339	1.5
135.04393	6.6
137.02289	1.5
144.04468	21.5
146.05998	2.1
152.01085	7.3
153.01823	6.8
158.06059	1.7
160.03932	5.9
161.02367	5.6
161.04649	2.0
162.05508	11.9
172.03940	13.3
173.04578	7.8
174.05499	4.5
177.01811	5.4
178.02188	2.2
188.03455	6.4
191.05542	17.5
192.05849	3.7
203.05824	10.8
204.06618	18.0
212.05934	1.8
236.09352	2.0
237.10245	6.7
239.08096	2.7
242.36462	1.6
251.11841	7.8
252.10344	2.4
252.12633	6.0
253.06134	4.3
253.09799	5.8
267.07605	7.8
267.11401	2.5
268.08347	4.8
268.12012	3.5
277.05347	1.6
278.10547	1.6
280.08514	3.1
281.09314	21.0
282.09686	2.9
291.16071	8.0
295.02054	2.0
295.10922	15.8
296.11655	38.6
297.12158	3.7
299.10333	3.3
300.11053	2.0
310.09445	1.9
311.10330	4.1
313.12021	3.5
319.26984	1.7
320.02600	2.5
325.11923	2.7
328.10681	19.8
329.11179	3.7
338.03949	2.1
339.05173	2.2
374.18646	2.9
406.17715	5.8
412.25964	2.0
418.17792	29.9
419.18027	4.6
436.18817	35.7
437.19144	6.1
450.20209	6.1
462.16580	6.6
463.16769	1.6
468.21341	4.0
477.14346	1.8
480.17786	100.0
481.18088	16.6
494.19485	2.8
511.31116	2.2
512.20447	44.7
512.28424	2.4
512.31433	2.5
513.15918	7.8
513.21783	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.304
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
52.89131	0.6
57.32562	0.6
59.01269	0.7
70.89825	2.2
78.95776	22.6
87.97911	0.6
96.96837	1.3
134.98476	0.7
144.09790	0.6
152.99489	30.9
170.02666	0.6
171.00580	1.3
172.71336	0.6
219.64867	0.7
227.03162	4.4
245.04353	1.1
264.60168	0.6
273.23068	0.9
283.26410	100.0
284.26779	9.7
511.30344	52.0
512.30688	7.1
538.27606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
56.75772	0.4
57.03329	0.4
59.01252	15.8
69.33669	2.2
69.34104	1.9
71.01257	6.6
71.64594	0.4
71.67341	0.4
72.99162	0.5
73.02825	7.5
83.01275	1.5
83.04934	0.4
85.02824	1.7
87.00761	0.9
89.02318	1.7
91.73196	0.4
93.03340	1.7
98.61333	0.4
99.00787	0.5
101.02335	5.1
107.01262	0.4
108.02042	0.6
109.02849	1.2
113.02339	1.4
121.02837	2.6
122.03632	6.4
123.04408	0.4
126.02991	0.5
126.88710	0.6
135.04375	1.1
136.01559	1.0
137.02321	4.0
149.02354	10.8
150.03142	13.4
161.02373	6.0
162.02872	0.6
173.04478	0.8
175.11247	0.6
179.03383	0.4
182.02145	3.3
185.48337	0.5
189.05531	1.0
190.06264	1.3
191.05524	2.4
191.07098	1.3
191.10681	0.8
203.07071	1.4
219.10190	1.4
231.10335	0.6
261.14926	1.0
279.15909	0.6
287.12918	1.6
289.14465	48.7
290.14819	3.7
307.15488	5.7
308.15924	0.5
317.32410	0.4
349.16339	0.4
378.37888	0.4
439.30307	0.6
451.19608	4.0
469.20776	13.4
470.21130	1.3
511.21863	100.0
512.22186	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2187
Annotation	gibberellin A2 O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03320	0.8
58.00446	0.4
59.01252	28.8
69.43546	3.2
71.01260	9.9
72.99174	1.5
73.02818	7.1
82.04337	0.4
83.01262	2.0
83.04902	0.6
85.02805	2.2
87.00747	2.4
89.02313	2.1
93.03323	1.6
95.01267	1.0
95.04924	0.5
98.19769	0.7
99.00760	1.3
101.02319	7.6
107.01226	0.5
108.02025	1.7
109.02840	1.9
113.02290	1.8
119.03371	0.5
121.02840	2.9
122.03611	4.4
125.02361	0.6
127.03870	0.4
133.02867	0.9
135.04417	2.6
136.01556	0.9
137.02356	2.0
149.02356	8.0
150.03149	8.5
151.03940	0.4
152.01062	0.6
161.02359	6.1
162.02771	0.5
163.78894	0.4
166.02376	0.4
173.04489	0.9
175.03772	0.4
182.02209	0.9
189.05574	0.9
190.06262	2.1
191.05519	2.7
191.10625	0.9
203.07100	0.7
203.10667	0.8
207.15617	0.4
211.13185	0.6
219.10191	0.7
231.10201	1.4
261.14996	0.7
273.14801	0.6
279.16019	0.5
289.14453	22.4
290.14813	2.2
307.09940	0.5
307.15488	10.9
308.15692	1.1
310.07712	0.4
331.15503	0.8
349.08591	0.5
349.16510	1.4
391.17773	0.4
439.30655	0.4
451.19693	6.7
452.20288	0.4
469.20734	15.7
470.21124	2.1
493.20773	3.3
511.21817	100.0
512.22247	14.7
512.30048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.4
59.01252	98.0
61.58306	2.5
62.33590	2.2
63.26529	2.3
69.67311	6.3
69.67723	9.1
71.01251	44.0
71.01615	3.6
72.99189	6.2
73.02823	37.9
78.95808	3.1
83.01271	13.6
83.04912	3.9
85.02820	13.1
87.00727	3.8
89.02337	14.6
93.03348	5.3
95.01267	5.1
97.02836	2.7
99.00772	3.0
101.02318	28.2
108.02071	5.3
108.04438	4.9
109.02863	5.0
113.02314	15.3
117.06985	4.4
118.89111	2.6
119.03410	4.9
119.04932	3.2
120.04408	2.5
123.04397	6.6
134.06021	9.7
135.04431	8.5
137.20757	2.7
145.06499	3.8
147.03169	19.3
151.00288	5.0
153.01843	3.9
159.11694	4.3
160.03984	2.8
161.04448	11.5
162.04256	4.8
162.05525	64.5
163.03926	3.8
171.08138	12.2
173.04562	3.3
179.05515	2.8
185.09714	6.4
186.10434	30.2
188.03426	3.4
191.05522	7.5
199.11243	3.9
201.12791	100.0
202.13142	9.6
206.04558	8.7
221.09242	5.0
245.11800	64.8
246.12024	2.8
247.07184	4.1
250.42154	2.6
265.08371	2.6
425.18295	8.3
435.17685	4.7
467.19046	17.0
480.17947	3.5
511.19418	9.3
511.26007	4.6
512.19989	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00188	0.7
59.01252	14.9
61.98697	0.8
71.01247	6.2
71.58047	0.9
72.99188	0.8
73.02811	4.8
79.95621	1.5
80.96391	11.6
81.03336	1.0
83.01259	1.4
85.02838	2.4
87.00755	1.4
89.02351	1.5
93.03342	1.6
94.97983	3.5
96.95886	1.4
100.34226	0.7
101.02310	4.4
105.26109	0.7
109.02838	2.2
110.05965	0.9
111.04394	0.9
113.02342	2.2
121.02843	1.4
122.06000	2.6
122.97486	1.6
125.02364	1.2
135.04477	3.6
137.02362	1.7
138.05472	1.7
143.26031	0.7
146.06018	1.8
148.99063	1.3
151.00241	1.2
151.57664	0.7
152.07072	2.1
152.98495	1.3
153.01802	2.1
161.04453	1.2
164.98531	2.4
168.07721	0.9
169.81163	0.9
171.10208	1.3
173.04459	1.4
179.03363	1.3
181.05167	0.8
183.07994	0.9
184.03929	1.0
188.94865	0.7
191.05493	5.3
196.07732	0.9
196.11227	3.0
198.61360	0.9
208.07625	0.8
209.08420	2.5
211.13333	1.7
214.57674	0.8
215.12880	2.6
216.06606	3.8
222.09178	1.9
223.09955	3.0
223.12033	0.9
224.07297	0.9
224.10764	22.0
225.00732	2.5
225.07771	1.4
225.11185	2.6
226.08575	1.3
236.07152	8.9
237.07936	1.0
240.10248	2.0
243.12422	1.1
245.11931	0.8
250.08698	3.4
251.09460	3.9
252.06598	1.5
252.10408	3.6
253.07420	5.5
254.08168	2.0
255.09007	1.9
266.08160	2.1
267.08920	0.9
268.09793	23.5
269.10065	2.1
277.31918	0.8
278.01190	0.9
280.06195	1.7
282.11438	1.7
283.09024	1.6
283.12109	12.8
284.12796	1.3
286.10712	1.3
289.18530	0.9
294.07590	0.9
295.08432	6.4
296.09033	1.7
297.06393	1.8
297.09601	1.0
298.06985	1.1
311.09503	1.0
311.12750	4.4
312.08728	12.8
313.09274	1.2
315.11111	10.5
316.11584	1.0
326.10324	1.3
327.10974	11.0
327.14133	0.9
328.11340	1.5
329.15067	1.5
355.12869	2.5
359.10004	4.3
361.15610	1.1
371.10062	3.8
381.10428	0.8
393.18225	6.2
405.18253	15.9
406.18442	2.8
423.19238	13.4
424.19598	1.1
435.15903	1.8
437.17163	1.3
449.17111	4.2
467.18274	11.7
468.18188	1.2
479.14597	1.5
493.16064	2.1
506.10913	0.9
511.17401	100.0
512.17719	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00188	0.7
59.01252	14.9
61.98697	0.8
71.01247	6.2
71.58047	0.9
72.99188	0.8
73.02811	4.8
79.95621	1.5
80.96391	11.6
81.03336	1.0
83.01259	1.4
85.02838	2.4
87.00755	1.4
89.02351	1.5
93.03342	1.6
94.97983	3.5
96.95886	1.4
100.34226	0.7
101.02310	4.4
105.26109	0.7
109.02838	2.2
110.05965	0.9
111.04394	0.9
113.02342	2.2
121.02843	1.4
122.06000	2.6
122.97486	1.6
125.02364	1.2
135.04477	3.6
137.02362	1.7
138.05472	1.7
143.26031	0.7
146.06018	1.8
148.99063	1.3
151.00241	1.2
151.57664	0.7
152.07072	2.1
152.98495	1.3
153.01802	2.1
161.04453	1.2
164.98531	2.4
168.07721	0.9
169.81163	0.9
171.10208	1.3
173.04459	1.4
179.03363	1.3
181.05167	0.8
183.07994	0.9
184.03929	1.0
188.94865	0.7
191.05493	5.3
196.07732	0.9
196.11227	3.0
198.61360	0.9
208.07625	0.8
209.08420	2.5
211.13333	1.7
214.57674	0.8
215.12880	2.6
216.06606	3.8
222.09178	1.9
223.09955	3.0
223.12033	0.9
224.07297	0.9
224.10764	22.0
225.00732	2.5
225.07771	1.4
225.11185	2.6
226.08575	1.3
236.07152	8.9
237.07936	1.0
240.10248	2.0
243.12422	1.1
245.11931	0.8
250.08698	3.4
251.09460	3.9
252.06598	1.5
252.10408	3.6
253.07420	5.5
254.08168	2.0
255.09007	1.9
266.08160	2.1
267.08920	0.9
268.09793	23.5
269.10065	2.1
277.31918	0.8
278.01190	0.9
280.06195	1.7
282.11438	1.7
283.09024	1.6
283.12109	12.8
284.12796	1.3
286.10712	1.3
289.18530	0.9
294.07590	0.9
295.08432	6.4
296.09033	1.7
297.06393	1.8
297.09601	1.0
298.06985	1.1
311.09503	1.0
311.12750	4.4
312.08728	12.8
313.09274	1.2
315.11111	10.5
316.11584	1.0
326.10324	1.3
327.10974	11.0
327.14133	0.9
328.11340	1.5
329.15067	1.5
355.12869	2.5
359.10004	4.3
361.15610	1.1
371.10062	3.8
381.10428	0.8
393.18225	6.2
405.18253	15.9
406.18442	2.8
423.19238	13.4
424.19598	1.1
435.15903	1.8
437.17163	1.3
449.17111	4.2
467.18274	11.7
468.18188	1.2
479.14597	1.5
493.16064	2.1
506.10913	0.9
511.17401	100.0
512.17719	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.8
78.95811	1.4
83.04887	2.0
96.66386	1.7
125.09631	4.8
127.00243	3.4
127.58893	1.7
136.42563	1.6
137.09610	5.6
150.97459	1.5
155.10689	58.9
156.11005	2.6
171.10176	22.8
176.02785	1.5
191.05623	1.7
199.09689	32.2
200.10399	5.0
201.01262	1.8
201.11263	4.9
217.10756	78.4
218.11084	3.1
247.20691	3.4
255.47792	1.7
273.18777	1.7
291.19656	6.9
309.20715	100.0
310.21024	8.9
311.62091	1.7
362.80545	1.5
446.00211	1.5
509.31238	39.1
510.31354	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89262	1.5
59.01255	3.6
69.03336	2.3
71.57427	2.7
74.89219	1.6
76.21292	1.5
78.95779	3.0
83.46670	1.5
85.15215	1.5
96.95867	2.9
110.27525	1.8
119.08583	8.0
125.09589	5.8
127.11195	1.7
137.09598	20.8
152.99509	3.2
155.10680	95.4
156.10994	4.8
171.10187	72.8
172.10431	2.6
183.10175	2.8
185.11739	8.9
198.07748	1.8
199.09691	51.4
201.11299	4.2
213.11122	2.2
217.10754	100.0
218.11118	4.7
252.60056	1.7
281.24759	8.7
290.02106	1.7
291.19632	14.3
309.20691	82.7
310.21100	9.0
426.17825	2.0
509.31143	37.6
510.31335	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50255	2.2
57.03336	2.1
59.01258	2.4
71.57801	2.4
92.87547	1.8
95.43114	2.1
97.02840	4.3
123.08100	3.6
125.09624	2.1
137.09653	10.9
139.11177	32.8
146.65968	1.8
151.11194	2.2
152.99490	3.8
153.09102	1.8
155.10687	65.3
156.11044	2.0
171.10178	29.4
172.10518	2.9
177.12758	2.9
183.10219	9.7
195.13919	2.9
199.09689	26.2
199.13338	5.6
201.11266	80.6
202.11610	4.5
217.10756	78.8
218.11081	4.6
239.12833	2.0
240.13678	2.3
246.57935	2.3
247.17615	2.0
247.20392	4.1
273.18561	2.8
281.24854	8.8
289.18100	12.7
291.19659	82.5
292.19980	6.3
307.19177	21.3
309.20700	100.0
310.21011	8.7
355.65082	1.9
395.46573	1.9
509.31226	42.6
510.31564	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70772	0.4
64.36575	0.4
70.20299	1.7
78.95776	17.2
96.96815	1.8
121.33436	0.5
150.97888	0.5
152.99492	30.1
153.99860	0.6
155.33015	0.4
171.00584	1.4
171.62962	0.4
215.41341	0.4
222.42961	0.4
227.03206	4.8
234.28397	0.4
245.04329	1.2
281.24857	100.0
282.25211	10.0
329.16202	0.4
417.23859	0.9
509.28790	45.5
510.29233	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.3
57.03310	2.7
59.01254	100.0
59.84257	0.8
60.01577	1.8
67.01759	4.3
69.03335	1.2
71.01260	18.1
71.58662	1.6
72.99168	2.0
73.02817	8.9
75.00739	1.7
83.01261	5.1
83.04897	1.6
85.02834	11.4
87.00753	2.2
89.02323	6.8
91.05399	1.7
93.03342	6.0
94.72736	0.9
95.01274	1.2
99.00771	1.9
101.02330	18.9
105.06972	2.7
107.04877	1.6
108.02033	1.3
109.02824	1.9
109.06501	1.2
111.00757	2.9
111.04381	2.3
111.08079	2.3
111.25811	1.0
113.02321	8.2
117.07004	6.3
119.03387	1.6
119.04906	1.5
121.02833	1.6
123.04397	2.2
123.08038	0.9
125.02357	1.9
129.09091	1.1
130.19630	0.8
133.02861	1.3
134.03685	1.5
135.04422	33.4
136.04797	1.9
137.02293	1.4
137.09592	0.9
139.03914	4.9
139.07568	1.6
147.04434	10.7
149.05971	11.7
151.00290	1.3
153.05504	13.4
155.03362	1.0
159.02969	1.5
161.02383	2.1
161.04597	3.6
161.05992	60.5
162.06326	3.9
163.03900	1.6
165.05489	51.4
166.05836	3.1
166.99792	1.8
173.04457	7.8
173.06004	3.6
174.13467	0.9
177.01897	1.8
177.05504	1.3
179.03456	3.2
179.07066	70.6
180.07368	3.9
191.05502	9.8
191.07080	16.1
207.21645	0.9
223.13434	1.0
237.49469	0.9
255.02882	1.1
273.03125	1.5
300.02713	1.2
301.03281	1.3
302.03412	2.6
303.04840	1.5
303.21863	1.8
345.13431	35.8
345.22833	1.4
346.13782	4.1
350.16852	0.9
387.20059	1.1
428.15710	1.0
447.25943	10.7
465.26981	1.7
489.26981	6.0
507.10587	3.6
507.18726	6.5
507.28110	95.0
508.17740	1.6
508.20215	1.5
508.28421	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03319	1.4
58.00479	0.5
59.01251	75.8
60.01588	1.2
71.01252	10.9
71.04881	0.5
72.99174	0.7
73.02815	4.6
74.02346	1.4
78.78752	0.4
83.01257	3.0
85.02824	7.8
85.99976	0.7
87.00774	1.6
89.02337	1.7
91.49389	0.4
93.03356	0.8
95.01267	1.3
97.02863	0.5
98.20670	0.7
99.00749	1.9
101.02325	7.9
104.02164	0.4
111.00786	1.1
113.02329	3.9
113.05965	2.0
119.03401	0.6
121.02871	0.5
124.01651	0.5
125.02315	0.8
129.01915	0.5
135.04387	0.7
137.02293	0.5
141.12755	0.5
143.03410	0.5
157.34222	0.4
161.04477	1.1
171.13795	2.6
173.04527	0.8
183.76889	0.3
191.05524	2.4
223.88022	0.4
243.19591	0.6
285.20709	2.5
302.03268	0.6
303.21799	1.8
387.23907	0.8
393.80682	0.4
405.24844	2.1
429.24911	2.7
430.25156	0.6
447.25977	15.7
448.26352	2.3
463.12366	0.5
465.27057	9.5
466.27313	0.9
489.26941	3.5
490.27509	0.8
507.28085	100.0
508.28366	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24778	0.3
51.90639	0.3
57.03321	0.5
59.01252	100.0
60.01580	0.8
62.76335	0.3
66.25095	0.3
69.48737	2.7
70.08852	0.3
71.01249	2.4
73.02813	2.5
83.01266	1.1
85.02830	0.7
87.00794	0.4
89.02324	1.2
93.03324	0.5
101.02316	2.7
107.16778	0.3
110.31648	0.3
113.02343	1.1
118.97987	0.4
125.02349	4.4
149.02391	0.6
149.04509	0.3
149.83847	0.3
151.00301	0.9
153.01909	0.6
161.04468	1.0
173.04567	0.4
177.02028	0.4
178.99835	0.8
191.05609	1.2
217.17601	0.3
238.50444	0.4
242.04324	0.4
275.05713	1.0
285.04248	1.3
299.05960	0.4
303.05228	1.2
384.14243	0.4
447.22601	1.5
479.12347	0.5
484.03915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87068	0.4
59.01247	0.3
69.66979	0.3
71.49522	0.3
78.95777	12.5
81.28185	0.3
95.11520	0.3
96.96848	0.9
98.19847	0.8
107.82756	0.3
152.99495	18.1
156.94624	0.3
161.95792	0.3
171.00520	1.5
192.22862	0.3
220.16266	0.3
221.67848	0.3
227.03217	2.9
229.67285	0.3
245.04219	1.3
261.22061	0.5
279.23291	100.0
280.23639	10.2
280.81509	0.3
507.27289	29.2
508.27567	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42897	0.4
54.82521	0.4
59.01251	100.0
60.01587	1.2
69.92797	2.5
71.01250	3.5
72.99195	0.7
73.02839	1.4
75.00747	1.0
83.01276	0.5
85.02833	1.1
86.48391	0.4
89.02321	2.0
93.03368	0.8
99.00718	0.5
101.02329	1.8
102.51527	0.4
105.73142	0.4
106.30613	0.4
109.02825	0.8
113.02342	1.6
118.98013	0.5
119.03402	0.8
125.02351	1.1
131.30501	0.4
132.04417	0.5
135.04427	0.5
137.02348	0.7
138.01871	0.8
139.02196	0.4
151.00343	0.4
152.47986	0.4
161.04463	0.8
167.10728	1.1
173.04523	1.0
174.44598	0.4
175.18947	0.4
191.05524	3.9
209.58992	0.4
245.60997	0.4
272.00192	0.4
345.10919	1.0
353.08453	0.5
405.21417	0.5
447.22369	2.9
507.23108	0.4
507.30017	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.5
63.65308	3.8
70.75291	11.4
74.17303	4.2
75.00745	8.1
78.95779	5.7
87.00761	29.3
96.96847	7.5
99.00787	4.0
105.01830	28.0
124.06368	4.0
124.74555	3.8
147.02921	4.6
165.03961	100.0
186.65640	3.9
202.39168	3.7
259.76590	3.9
300.08789	4.0
469.72366	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
59.01250	6.7
65.03801	0.3
68.99702	0.3
69.88846	1.7
69.89210	0.5
71.01257	4.0
72.99227	0.3
73.02831	0.8
75.00744	0.5
81.03329	0.4
83.01270	0.5
83.04888	0.4
83.23319	0.4
84.04430	0.7
85.02814	1.6
87.00755	0.5
89.02319	1.7
90.91644	0.3
93.03335	1.0
95.03644	1.1
96.04436	0.3
96.08044	0.7
96.95886	0.3
99.04382	0.4
101.02320	2.2
104.04959	0.4
106.06524	2.1
107.04905	0.3
109.02894	0.5
112.03907	0.4
113.02320	1.0
118.97994	0.4
122.06001	1.9
123.03147	0.5
123.04411	0.5
124.07574	4.3
125.02313	0.4
132.04453	28.6
133.05247	12.8
134.06068	3.7
135.04396	0.9
137.02361	0.6
138.05508	0.8
145.04959	0.5
148.03937	1.2
149.02396	0.4
150.05498	1.2
151.00293	0.5
160.03931	0.4
161.04449	0.5
165.01863	1.3
165.04230	18.7
166.02632	0.7
166.04579	1.0
168.06610	0.4
173.04489	0.8
176.03462	1.4
176.07047	0.5
177.04239	3.3
178.04997	1.5
179.03424	0.4
179.05670	0.3
181.05000	1.3
184.07584	0.5
185.08411	0.6
186.09148	2.0
187.05096	0.5
191.05579	2.5
195.06580	0.5
198.09244	0.6
209.03241	5.4
212.10756	0.4
213.06619	1.1
214.12341	3.3
215.11827	5.8
216.12331	0.4
225.06752	0.3
226.07422	0.9
227.08202	0.6
229.09758	2.6
237.27963	0.3
240.10547	1.9
241.09784	3.6
255.11368	0.9
257.12936	22.0
258.13293	1.6
268.08432	0.5
273.08646	0.4
283.10898	10.7
284.11163	1.1
285.08319	0.3
301.11929	9.6
302.12262	1.2
309.08792	0.4
315.07233	0.4
315.12878	0.3
327.09845	1.2
345.10904	100.0
346.11234	10.0
387.11926	1.0
387.20441	0.4
507.15891	5.1
507.27753	0.6
508.16373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.8
59.14505	0.8
69.28710	2.6
69.29139	5.8
78.95777	33.6
96.50839	0.8
96.96814	1.7
98.90704	0.7
110.06516	0.9
137.48956	0.7
145.73267	0.8
150.97934	0.9
152.99496	40.5
161.56578	0.9
168.37595	0.7
171.00529	2.6
171.79268	1.0
224.06834	1.5
227.03165	6.4
245.04297	5.7
255.02745	1.3
271.02444	2.4
275.20276	0.9
277.21722	100.0
278.22061	9.6
279.23300	7.6
280.23618	15.2
300.02557	3.8
301.03503	1.4
413.21063	1.4
505.09888	3.0
505.25665	51.4
505.31357	2.7
506.25885	8.7
506.32181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.70527	0.4
59.01234	1.4
59.42297	0.4
65.20361	0.4
69.26453	3.5
69.26869	1.3
78.95779	18.1
87.38419	0.4
89.83289	0.4
96.96835	1.4
114.67489	0.5
127.07492	0.5
130.46152	0.4
150.98004	0.4
152.99490	29.2
153.99779	0.6
155.09840	0.4
171.00542	2.3
199.64740	0.4
227.03242	4.2
236.79184	0.4
245.04237	1.9
254.74225	0.5
271.02502	0.8
277.21713	100.0
278.22079	9.2
279.23312	2.4
280.23581	2.9
300.02698	1.3
301.03378	0.7
347.69131	0.4
348.34763	0.6
357.82413	0.4
404.45300	0.5
413.21164	0.7
505.25729	34.4
506.26044	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93330	2.6
58.00447	2.3
59.01251	100.0
66.71600	3.3
67.01733	2.9
70.41518	2.7
70.66494	2.7
71.01262	27.1
73.02827	54.2
75.00747	23.4
83.01239	2.7
83.04897	2.8
85.02821	11.1
89.02319	18.5
93.03336	4.7
95.01310	2.9
98.20591	6.1
99.04368	10.3
101.02312	14.7
109.02798	4.6
113.02325	7.4
119.03350	6.7
119.04757	2.5
122.06005	2.7
125.02336	2.9
135.04433	3.5
151.11169	3.5
161.04434	4.0
163.11185	4.4
189.12788	6.1
191.05481	11.7
195.10255	4.1
249.09322	2.6
251.12903	10.8
251.61787	2.7
255.02985	6.3
271.02451	8.2
281.17480	5.0
288.63940	2.8
300.02744	16.6
301.03439	7.1
325.16583	60.0
326.16898	6.1
359.44125	2.8
390.62231	3.9
457.06757	3.1
505.09933	7.5
505.22684	49.7
506.23132	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03302	0.8
58.00465	0.9
59.01251	37.1
65.03831	2.0
67.01752	3.2
69.38450	4.7
71.01254	15.0
72.99177	1.5
73.02818	22.9
73.58663	0.5
75.00736	1.0
83.01259	6.7
83.04903	0.5
85.02821	3.8
87.00746	0.5
89.02328	2.1
91.05411	10.6
92.05736	0.6
93.03331	3.1
95.01259	0.8
95.87611	0.4
97.02845	1.1
101.02325	18.0
108.02056	1.0
109.02834	6.2
111.00835	0.5
113.02332	5.3
114.38967	0.5
117.06982	2.5
119.03377	1.0
119.04912	1.1
120.09891	0.5
121.02840	21.8
121.25586	0.5
122.03178	1.0
125.02351	0.9
131.03400	0.9
133.06461	0.8
135.04414	100.0
136.04742	4.4
137.02328	0.6
137.05971	0.5
143.03432	1.2
147.04414	21.2
147.05592	1.1
148.04753	0.9
149.02341	0.6
151.00279	1.3
153.05481	0.7
161.02374	1.2
161.04562	2.7
161.05981	36.6
162.06329	1.7
163.03928	0.7
165.05481	11.1
168.68669	0.5
173.04521	0.6
173.05998	2.0
175.03955	1.0
177.05484	18.3
178.05862	0.8
178.99826	0.7
179.07140	1.2
191.05505	1.9
195.06564	9.2
243.02982	1.5
255.02945	3.2
267.06677	4.2
268.06854	0.6
271.02502	6.9
272.02869	1.0
283.09769	17.5
283.19165	0.9
284.10181	1.5
300.02756	12.3
301.03445	5.3
301.10791	11.2
301.20169	1.1
302.11148	1.0
329.56226	0.5
357.11951	1.9
369.11862	11.5
370.12378	1.3
383.13406	2.3
395.13565	1.2
429.12140	0.7
445.14532	0.9
445.24374	1.5
455.10614	0.6
463.25446	3.3
464.25470	0.7
505.09891	5.2
505.17252	17.4
505.26529	21.3
505.33655	1.2
506.10175	1.0
506.17603	2.2
506.26770	2.1
530.10333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21114	0.3
52.08257	0.3
57.03311	0.4
59.01251	12.7
65.00180	0.6
65.03834	1.4
67.01754	3.1
69.61797	0.7
69.62207	1.6
71.01251	2.2
72.99205	0.4
73.02821	0.9
79.05420	0.2
83.01262	1.0
85.02825	1.6
87.00741	0.5
89.02329	1.3
91.04827	0.6
91.05405	9.1
93.03347	2.8
95.01289	0.4
95.04909	0.3
98.19791	0.5
99.00768	0.5
101.02304	1.8
105.03323	0.3
105.06969	0.7
107.01301	1.3
107.04916	0.4
108.02053	0.9
109.02837	8.4
110.03190	0.3
111.00780	0.4
113.02318	1.0
117.06994	3.2
119.04914	0.9
121.02841	23.8
122.03146	0.7
123.04404	0.9
133.02786	0.3
133.06479	0.3
134.03619	0.6
135.04411	100.0
136.04727	4.1
137.02356	0.5
137.05971	1.1
146.03693	0.4
147.04419	22.3
148.01564	0.8
148.04727	1.2
149.04903	0.3
149.05984	2.3
151.00273	4.3
152.01100	0.7
153.01817	0.4
153.05490	6.7
157.49657	0.3
159.04366	0.7
160.01598	0.4
161.05984	52.1
162.06345	2.8
163.00291	1.0
163.03896	0.4
163.07553	0.6
164.01021	0.3
165.05479	51.6
166.05806	2.3
167.03410	0.9
169.01318	0.3
173.04623	0.5
173.05907	1.7
175.03938	0.6
178.99785	2.2
179.07051	26.6
180.07439	1.4
189.05386	0.4
191.05531	0.9
191.07062	9.8
192.07407	0.6
193.04929	0.6
199.03915	0.7
201.05495	0.3
211.03938	0.5
212.04504	0.4
226.02585	0.6
227.03471	1.5
243.02924	4.6
244.03516	0.4
245.04532	0.6
254.02234	1.2
255.02946	12.7
256.03366	0.8
271.02472	26.4
272.02835	2.7
273.04007	0.4
283.02426	0.7
283.09714	1.7
299.02130	0.5
300.02734	43.7
301.03473	21.4
301.10788	47.0
302.03928	1.7
302.11118	4.1
337.09177	0.4
343.11606	0.4
445.15100	1.3
445.24371	2.6
446.25015	0.4
463.08997	1.4
463.25677	1.5
505.09882	23.4
505.17096	2.6
505.26273	6.0
506.10190	4.2
506.16928	0.6
506.26791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.2
57.03325	7.4
58.00455	1.8
59.01254	100.0
60.01598	1.1
61.98708	1.7
67.01756	1.3
69.03312	2.5
71.01253	43.8
71.04874	1.4
71.58971	2.0
72.99183	2.6
73.02825	20.1
78.95779	2.2
81.03326	1.8
83.01260	10.7
83.03226	1.0
85.02825	25.9
87.00755	5.4
87.04389	2.3
89.02314	12.5
91.05425	1.5
93.03352	9.7
95.01266	4.2
97.02821	2.7
97.71863	1.2
99.00738	4.2
101.02325	25.8
107.04939	1.9
108.02071	3.3
109.02833	4.6
111.00835	1.9
111.04396	2.8
112.01569	1.2
113.02334	23.4
115.03878	1.5
118.97947	1.8
119.03386	3.2
119.04910	3.4
120.99545	6.1
121.02837	3.8
125.02341	3.6
131.03348	1.6
133.06497	1.2
135.04417	11.6
136.04831	1.3
137.02338	2.9
143.03404	2.6
148.01558	1.5
149.02341	1.9
149.06015	1.8
151.00328	6.8
151.03897	18.3
153.01828	2.0
159.02899	2.3
159.04485	1.9
161.02335	3.3
161.04506	9.9
161.05754	2.3
163.00336	1.4
163.03972	1.7
173.04495	6.6
176.03871	1.9
177.01900	1.8
177.05501	17.5
178.99767	3.6
179.03395	3.9
181.12396	1.4
191.05534	34.0
192.05876	2.0
203.03400	1.6
209.11780	6.4
211.03905	1.5
215.03349	1.3
227.03406	2.3
229.01344	1.9
243.03053	7.0
254.01987	1.5
255.02959	22.0
256.03424	2.0
257.08133	8.1
271.02478	42.2
272.02948	4.8
283.09763	9.2
299.02042	1.6
300.02744	64.4
301.03467	25.7
301.09888	2.4
301.20148	1.5
302.03891	1.8
315.25494	1.5
339.04431	1.2
361.29547	8.8
445.08038	1.7
445.24429	6.2
461.14514	3.5
461.23975	1.6
463.08734	2.0
463.24768	5.8
504.32477	2.1
505.10144	34.8
505.17221	7.2
505.26413	39.1
505.33798	33.2
506.10120	4.5
506.17404	1.4
506.26471	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10289	0.2
52.32885	0.2
55.06304	0.2
59.01246	0.8
59.67781	0.2
69.35347	1.8
69.35751	0.6
78.95773	0.5
92.42463	0.2
96.95924	0.4
121.02847	100.0
122.03170	4.0
163.07526	0.3
167.08575	0.3
180.05769	0.7
181.06537	3.4
188.76067	0.3
193.42497	0.3
197.06020	2.9
207.04510	1.3
207.08032	0.6
223.03973	0.3
225.05528	2.7
243.03169	0.3
251.07175	0.4
255.02997	0.6
257.09659	0.9
271.02441	1.2
278.64679	0.2
285.09274	0.3
300.02701	2.4
301.03500	1.4
301.08835	0.4
301.42365	0.2
313.07181	5.3
314.07764	0.3
357.06219	0.9
373.11179	0.4
383.07513	1.3
417.09821	9.2
418.10007	1.5
433.09268	0.6
461.12286	0.4
505.11188	6.4
505.31635	0.7
506.11661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0985
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.94463	0.3
63.02253	0.4
65.00184	0.8
69.69221	2.3
74.42653	0.3
75.13338	0.3
81.00942	0.3
83.01255	0.5
84.63261	0.4
107.01260	1.5
108.02081	1.7
109.02841	1.2
120.59247	0.3
121.02843	1.3
124.22381	0.3
135.00818	0.4
135.04387	0.4
139.03760	0.3
148.01578	1.3
149.02370	0.4
151.00275	9.4
151.01514	0.5
152.54457	0.4
163.00288	2.1
164.01089	0.5
169.01321	0.4
178.99757	4.8
183.04350	0.4
192.00455	0.5
198.03168	0.4
199.03917	0.7
201.05606	0.5
211.03944	0.4
215.03433	0.4
216.04131	0.6
226.02698	1.4
227.03459	3.2
229.05070	0.7
243.02960	8.5
244.03401	0.4
245.04611	0.8
254.02170	2.3
255.02959	22.7
256.03430	1.7
271.02472	49.7
272.03009	4.0
273.03967	1.2
283.02533	1.3
299.02005	1.0
300.02740	100.0
301.03473	44.7
302.03876	3.5
341.79813	0.4
463.08954	3.2
505.09885	46.8
506.10117	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86962	0.4
59.01254	4.9
63.02260	0.8
65.00196	2.5
67.01762	0.7
69.33324	2.8
69.33745	1.1
71.01256	2.6
72.99159	0.4
73.02818	0.8
77.00272	0.4
83.01268	1.5
85.02821	0.9
89.02312	0.9
91.05414	0.4
93.03356	2.2
95.01287	1.4
101.02332	2.0
104.94334	0.4
107.01286	2.4
108.02063	1.5
109.02863	2.0
109.99982	12.2
111.00775	3.7
113.02306	0.6
117.03329	0.4
119.01295	0.4
121.02834	3.1
122.03174	0.5
123.00758	2.4
123.04427	0.4
124.01514	0.7
125.02342	1.2
125.99522	0.5
128.26004	0.4
132.02058	0.6
133.02876	0.6
135.00789	1.1
135.04407	2.1
136.98723	2.3
137.02327	0.6
137.99487	5.6
138.99229	0.7
139.00267	9.4
141.98981	0.9
145.02827	0.6
147.04419	1.5
148.01567	1.2
149.02272	0.8
151.00275	8.0
152.01030	1.7
153.01759	0.5
155.04869	0.6
159.04401	1.6
161.02368	0.4
161.04509	0.5
161.05978	1.0
163.00313	2.1
163.04013	0.4
164.01022	0.9
164.98198	1.0
165.05490	1.2
165.98994	16.9
166.99786	7.7
168.00191	0.6
169.01337	0.5
171.04436	1.0
172.05013	0.4
173.02367	0.4
174.03270	0.5
178.99794	6.4
179.07079	0.9
180.00507	0.4
182.03598	0.4
183.04471	1.8
185.00815	0.6
185.02365	0.5
185.06036	0.4
187.03932	1.3
190.99861	0.5
191.07097	0.5
193.01295	1.0
193.98431	1.2
198.03120	0.7
199.03935	1.5
200.04663	0.7
201.05505	1.5
203.03424	0.6
206.99309	1.6
209.00885	0.9
210.03001	0.5
211.03937	2.5
215.03395	1.5
216.04178	0.9
217.05023	0.6
226.02701	2.1
227.03427	8.4
228.04172	1.6
229.05042	1.9
239.03462	1.4
243.02966	16.2
244.03485	2.2
245.04506	2.5
254.02206	2.8
255.02972	27.7
256.03461	3.3
257.04492	3.1
271.02487	49.5
272.03043	9.2
273.03992	1.5
282.08521	0.7
283.02466	5.0
283.08908	0.5
284.03217	0.9
285.03949	0.7
299.01929	1.9
299.09253	1.0
300.02753	100.0
301.03494	88.1
302.03876	6.6
304.02155	0.5
336.46051	0.4
343.04510	0.5
372.20941	1.0
373.21411	0.9
445.24240	0.9
463.08807	1.5
504.25095	1.5
505.09888	72.8
506.10181	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.0
63.02256	0.7
65.00195	1.1
69.65891	1.4
71.01254	0.4
71.94408	0.2
73.02802	0.2
83.01252	0.6
85.02834	0.4
87.00718	0.3
91.01773	0.4
93.03297	0.5
93.74077	0.2
101.02323	0.3
107.01267	2.7
108.02065	1.4
109.02836	2.0
119.01271	0.3
121.02866	1.5
124.01601	0.4
135.00766	1.0
135.65213	0.2
137.02357	0.6
139.03767	0.3
148.01576	1.7
149.02296	0.4
150.02977	0.3
151.00278	10.3
152.00726	0.5
153.01875	0.5
155.04970	0.2
159.04370	0.5
163.00302	2.4
164.01045	0.8
165.01863	0.3
169.01305	0.9
173.04578	0.3
175.03864	0.4
178.99779	5.9
180.00165	0.3
183.04440	0.5
187.03957	0.5
190.99823	0.4
191.05580	1.1
192.00514	0.4
199.03854	1.1
200.04762	0.2
201.01894	0.3
203.03439	0.8
211.03966	1.0
214.02707	0.2
215.03424	0.8
216.04227	0.5
222.63353	0.3
226.02673	1.2
227.03494	3.3
228.03981	0.3
229.04988	0.7
239.03340	0.4
243.02960	10.2
244.03406	0.9
245.04604	1.2
254.02203	2.1
255.02966	23.8
256.03308	2.0
271.02475	50.1
272.02921	5.4
273.04062	0.9
283.02548	1.2
283.05228	0.3
299.02005	2.4
300.02744	100.0
301.03464	55.1
302.03867	4.1
342.74426	0.3
343.12021	0.6
445.07776	3.3
445.24350	0.8
446.07999	0.3
461.14557	0.3
463.08829	3.0
463.25443	0.3
464.09048	0.3
505.09888	54.9
506.10159	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
63.02259	0.4
65.00204	1.0
69.49133	2.9
81.48975	0.4
83.01266	0.7
87.59007	0.4
92.63796	0.4
98.19819	0.9
99.96980	0.4
107.01272	1.5
108.02060	1.5
109.02829	0.9
121.02802	0.8
130.64655	0.5
135.00807	0.8
148.01567	1.3
150.47485	0.4
151.00290	5.7
154.99509	0.5
163.00267	1.8
169.01350	0.7
174.03065	0.6
178.99805	3.6
179.19034	0.4
199.03941	1.1
203.03307	0.5
211.03983	0.9
215.03441	0.5
216.04202	0.9
226.02646	2.4
227.03499	3.7
243.02969	12.4
244.03511	1.0
254.02074	2.3
255.02975	23.1
256.03296	1.7
271.02481	61.6
272.02927	5.7
273.04089	0.5
299.01990	1.9
300.02744	100.0
301.03430	26.6
302.03937	1.7
352.21710	0.4
445.07727	7.5
446.08066	1.0
463.08826	1.0
505.09879	49.4
506.10187	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92284	1.6
54.60760	1.3
55.41152	1.5
59.01248	15.1
65.00207	2.4
65.99714	2.1
69.45219	1.6
69.49992	7.6
69.50426	4.9
71.01261	5.0
79.01759	1.3
83.01258	1.9
89.02332	3.3
92.04952	1.6
93.03326	3.7
95.01305	1.7
101.02328	1.7
107.01282	6.2
108.02028	2.7
109.02829	3.1
117.03355	1.5
121.02887	2.5
124.00118	1.6
125.02409	2.2
131.53511	1.6
132.02068	2.2
134.02359	6.8
135.00859	1.7
137.02322	9.4
148.01573	2.5
149.02356	2.5
151.00259	19.3
151.03957	2.2
152.00851	1.6
162.01866	9.2
163.00288	5.6
164.03468	7.2
169.01350	3.6
176.87843	1.7
177.01854	11.4
178.99817	10.8
183.04489	1.7
186.01923	3.1
187.03886	1.7
190.01353	3.8
191.05627	2.7
199.03778	2.3
204.02992	9.6
211.03973	3.3
213.05545	1.6
227.03455	9.8
229.04930	3.3
240.04137	1.6
243.02991	11.7
245.04442	2.0
250.05093	2.1
254.02007	3.0
255.02951	42.1
256.03690	2.2
257.04651	2.0
269.04501	2.0
270.04196	2.5
271.02478	59.6
272.03299	4.1
273.04095	2.0
277.03821	1.6
278.04489	2.1
278.96692	1.8
279.03073	5.3
283.02408	9.1
284.03149	4.2
295.04895	1.9
297.03934	4.0
299.01788	3.6
300.02740	100.0
301.03525	60.6
302.03888	2.1
306.04172	9.9
307.04565	2.6
323.04370	12.3
324.05127	20.4
325.05396	2.3
339.06995	1.8
340.04538	1.8
341.05167	10.5
342.06046	3.6
384.09537	3.3
463.08826	8.7
486.10394	7.1
504.11511	32.9
504.28198	2.4
505.09918	52.7
508.38934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26408	2.2
57.03323	3.3
58.39665	2.0
59.01252	66.2
63.02295	5.2
65.00201	21.0
71.01253	32.8
72.99178	5.0
73.02828	4.7
81.03339	2.2
83.01262	10.5
85.02810	5.8
87.00780	2.7
89.02314	33.2
93.03329	4.4
95.01269	5.1
101.02309	15.3
107.01276	20.9
109.02847	7.9
113.02349	14.8
119.03386	13.3
120.76231	1.9
121.02867	10.3
123.00793	3.8
124.01587	11.7
125.02335	26.3
143.03418	5.0
149.02415	4.1
151.00278	59.5
152.01100	20.0
153.01854	4.6
161.04460	4.7
163.00348	2.5
168.25145	2.0
169.01331	3.5
178.99776	22.7
179.05536	9.2
181.01395	2.5
191.05507	5.0
213.01884	3.5
226.02791	3.0
227.03461	3.8
230.46388	3.0
242.02007	4.3
243.02985	4.3
253.01381	2.7
255.02899	6.2
269.00916	26.7
270.01306	4.3
271.02490	5.2
283.02286	2.5
290.51718	3.5
291.02057	12.9
299.01956	7.2
299.52396	3.4
300.02750	100.0
300.52994	26.3
301.03064	4.6
324.08911	1.9
360.15967	2.3
372.04755	9.0
372.09549	2.0
372.54800	3.2
381.05389	47.5
381.55652	15.4
382.05634	2.5
402.05927	58.4
402.56076	17.6
403.06354	2.7
418.03308	3.4
419.04034	18.9
420.04697	5.1
431.03918	2.8
448.04132	3.5
449.05038	2.9
467.88376	2.3
483.08521	3.4
483.58777	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	3.9
59.01253	100.0
64.75694	2.8
68.61195	2.9
69.84454	5.7
69.84864	13.1
71.01247	29.1
71.90408	2.9
73.02814	12.5
77.28594	2.8
78.95788	6.8
81.82046	3.0
83.01248	5.4
85.02815	11.8
85.70322	2.7
89.02334	10.4
90.72839	3.2
91.05424	4.5
91.42586	2.7
93.03345	10.9
95.01257	4.6
101.02364	14.7
105.06998	9.4
107.04910	4.6
109.02847	15.2
113.02326	14.6
119.03378	3.3
119.04931	15.8
121.02831	12.6
122.03175	4.1
123.04393	11.7
135.04413	56.5
136.04726	4.2
137.02359	24.8
147.04407	5.6
149.05988	27.7
161.04628	4.0
161.06047	5.2
165.05524	3.8
173.04530	6.9
175.07623	6.8
191.05585	17.4
193.08588	4.8
193.71034	3.1
197.06026	3.2
199.03912	2.9
201.09122	26.9
205.08661	15.5
217.08577	3.4
219.10185	26.6
234.34467	2.9
241.05133	14.8
269.04514	24.6
281.08173	8.2
299.09247	10.3
323.09119	3.7
323.12772	4.0
341.10214	41.2
341.14032	25.0
342.10513	5.0
399.24091	4.5
503.08612	4.1
503.18671	15.9
503.25351	19.2
503.32370	7.4
504.19174	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.7
59.01252	100.0
60.01600	2.2
65.49090	2.2
71.01258	29.9
73.02824	9.1
78.95773	15.6
82.24805	2.0
83.01249	3.5
84.40522	2.4
85.02818	12.5
87.00780	4.0
89.02319	10.4
90.98472	2.8
92.93379	2.1
93.03323	5.4
95.01243	2.5
96.96855	4.9
99.00771	4.4
101.02321	15.7
109.02837	7.0
113.02339	9.8
119.03410	2.1
119.04961	4.7
121.02833	2.9
135.04430	16.3
137.02338	2.7
147.04463	2.0
149.04451	3.2
151.00301	2.1
152.00920	2.9
161.02367	2.1
161.04454	5.2
161.05945	4.5
163.03886	3.8
173.04474	5.1
173.05991	2.0
177.03308	3.3
179.03474	2.8
191.05553	10.8
205.08725	2.9
219.10382	2.0
237.72398	2.1
241.05070	4.5
265.04962	9.1
269.04559	7.3
270.60867	2.2
281.08282	3.9
295.09662	2.5
299.02106	2.3
299.09180	2.5
305.45303	2.7
323.09262	2.9
341.10266	25.7
341.13928	3.0
399.23889	3.6
443.22479	3.8
461.23721	3.7
503.08163	2.8
503.24936	24.3
504.26489	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
50.73192	0.4
52.41865	0.5
55.01757	4.3
57.03324	5.1
58.00470	1.6
58.40812	0.4
59.01252	40.0
60.01578	0.8
64.56631	0.4
65.03845	1.0
67.01759	1.7
68.99686	0.5
69.03329	1.7
69.30913	2.8
69.31332	1.6
69.50003	0.5
71.01254	60.6
72.01575	1.0
72.99189	2.8
73.02818	23.7
75.00744	1.7
81.03344	0.7
83.01255	8.4
83.01717	0.8
83.04900	0.4
85.02824	22.7
85.99947	0.6
86.03156	0.6
86.20716	0.4
87.00739	3.3
89.02321	21.5
91.05399	1.0
93.03345	2.2
93.72334	0.5
95.01260	4.3
95.41233	0.5
97.02830	3.4
99.00757	12.2
99.04388	0.6
101.02322	47.2
102.02663	0.9
108.02052	0.5
109.02130	0.9
109.02833	10.9
111.00761	1.9
113.02330	19.0
115.03878	2.4
117.90036	0.4
119.03407	3.8
119.04916	1.3
121.02843	45.0
122.03171	1.7
123.04429	2.4
125.02337	5.9
127.03973	0.5
129.01837	0.6
130.04170	1.4
131.03406	4.3
133.01830	0.9
133.02844	17.9
134.03255	0.9
135.04416	9.4
136.04752	0.7
137.05998	0.9
137.09537	0.7
143.03403	3.5
145.02779	0.5
147.04411	16.6
148.04774	1.0
149.04449	5.7
149.05753	0.8
149.09711	0.6
153.05449	0.6
159.02933	4.0
159.04401	24.2
160.04713	1.4
161.04459	22.0
161.05801	1.2
162.04697	0.7
165.05482	8.5
173.04489	2.1
174.04811	0.7
177.05481	12.5
178.05774	0.7
179.05577	0.5
187.07484	0.7
191.05573	2.6
195.30679	0.4
207.05211	0.4
209.15416	6.1
225.09253	0.6
233.06607	4.5
237.09212	1.2
251.07629	0.5
255.10271	0.6
263.07114	0.5
267.06668	0.5
268.07288	0.7
269.04404	0.7
269.08005	2.0
275.07861	0.5
281.08185	26.7
282.08615	2.7
287.39664	0.4
293.08801	1.6
299.09229	75.3
300.09549	8.8
323.09204	1.0
341.10217	1.8
353.19525	0.6
371.20712	59.4
372.21039	6.4
385.47183	0.5
463.19568	0.5
503.24954	100.0
504.25348	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47307	0.9
57.03316	1.1
57.59014	1.1
59.01255	58.1
60.01582	1.2
64.66222	0.9
65.03830	1.8
67.01775	1.5
71.01263	13.2
71.30078	2.3
72.99191	1.6
73.02830	7.4
75.00760	1.8
78.95777	4.0
83.01244	2.1
85.02837	5.6
87.00732	2.0
89.02335	10.1
91.05412	12.8
93.03323	5.3
95.01294	1.3
95.04910	1.0
96.96847	3.2
99.00771	2.0
101.02327	10.0
105.06978	3.1
107.04865	1.5
109.02847	11.8
113.02312	3.8
118.09510	0.9
119.03423	1.6
119.04932	1.7
121.02854	30.2
123.04430	4.1
125.02323	1.7
127.07513	0.9
131.03383	2.0
131.25511	1.0
133.02876	1.5
134.03635	1.4
135.04424	100.0
136.04768	3.6
137.02370	1.7
147.04439	14.1
148.05203	1.5
149.04489	4.4
149.05991	13.3
152.97234	0.9
159.04431	2.0
161.02394	1.4
161.04498	2.2
161.05969	1.6
163.07513	4.7
165.05444	1.1
173.04492	1.4
175.07570	4.2
177.05498	2.5
179.05392	0.9
187.07590	3.7
189.09167	19.7
191.05533	8.5
193.08681	5.5
201.09181	13.1
202.09273	1.2
203.10664	1.4
204.73842	1.1
205.08650	31.0
206.08963	2.8
213.09207	2.1
219.10228	27.8
220.10539	1.6
221.11862	1.2
231.10318	5.1
235.09747	2.1
241.05064	1.4
269.04559	4.2
281.08298	1.9
297.11383	1.2
299.09180	1.7
307.06229	3.0
311.09515	1.5
322.08508	1.7
323.09225	7.5
323.12759	2.4
341.10236	5.3
341.13950	45.6
342.14331	6.1
371.20816	1.6
381.15610	3.0
443.17355	1.1
443.22986	3.4
459.29343	1.3
475.20508	1.1
503.18912	17.1
503.25546	11.9
504.19186	3.4
504.25867	1.9
515.43146	1.0
518.93567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79770	0.6
58.05726	0.6
59.01251	17.2
59.36182	0.6
65.03828	1.9
71.01263	4.1
71.83988	0.6
73.02821	1.8
78.95782	3.7
79.05402	0.9
83.01254	0.7
85.02820	1.6
87.00755	1.0
89.02329	1.4
91.05408	11.2
93.03332	4.1
94.83241	0.7
95.04894	1.3
96.96846	2.4
98.20598	1.1
101.02326	2.9
105.07009	2.2
107.04915	1.0
108.02109	1.0
109.02850	9.0
113.02348	1.3
121.02845	30.1
123.04430	2.3
125.02371	0.8
134.03676	4.3
135.04417	100.0
136.04762	3.2
145.10074	1.0
147.04420	13.9
148.05132	2.9
149.04642	0.9
149.05977	13.3
161.02296	0.8
161.05956	2.6
163.03908	0.7
163.07562	10.0
173.04488	1.1
175.07556	4.9
177.09177	1.2
185.05913	0.8
187.07555	3.7
189.09142	42.9
190.09489	2.7
191.05556	3.3
193.08656	7.9
194.08992	0.8
201.09158	14.2
202.09596	0.7
205.08652	41.0
206.08983	2.6
213.09148	1.0
218.34003	0.6
219.10222	51.9
220.10590	2.7
229.51410	0.8
231.10251	5.6
271.09875	0.8
323.09473	0.8
323.13062	1.9
341.13919	54.4
342.14288	5.4
443.22598	0.7
467.79642	0.7
503.08286	1.3
503.19229	20.5
503.26505	3.7
504.19678	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28660	0.8
57.03330	1.8
59.01253	36.9
65.03832	2.9
69.33590	9.3
70.65535	0.9
71.01250	7.9
72.99167	1.2
73.02829	4.7
74.02333	2.3
78.95767	3.8
79.05425	1.8
83.01254	1.8
85.02837	5.2
87.00760	1.6
89.02301	3.1
90.98499	1.1
91.05396	10.9
93.03344	9.5
95.04912	3.9
96.07420	0.9
96.96858	1.7
97.06477	1.3
99.00769	1.3
101.02327	5.7
102.92162	0.9
105.03332	2.4
107.04906	2.8
108.02055	2.1
109.02844	11.5
109.21814	0.9
113.02317	4.4
119.04913	3.2
121.02844	26.4
121.06487	2.9
122.03693	4.6
122.55762	0.9
123.04420	10.2
125.02254	1.4
133.02779	1.5
134.03601	4.5
135.04416	100.0
136.04790	3.3
143.04491	2.0
145.10115	3.3
147.04416	15.1
148.05220	5.2
149.02373	4.8
149.05940	1.5
150.03094	4.1
155.03461	1.0
157.06439	3.2
157.98848	0.9
159.04378	3.7
161.02425	1.5
161.04480	1.6
161.05840	1.7
163.03886	2.9
163.07547	21.4
164.04665	2.6
164.07870	1.7
165.05490	66.5
166.05798	3.7
167.03369	3.0
172.05167	1.2
173.04407	2.5
174.06737	1.5
175.07611	8.6
177.03293	5.0
177.05478	2.5
179.03400	1.0
179.05621	0.9
187.07538	7.5
189.09149	80.9
190.02722	1.1
190.09520	6.5
191.05540	4.2
193.08615	9.2
199.07623	1.2
201.05409	1.2
201.09125	9.3
205.08643	50.2
206.08965	3.1
213.09358	1.2
217.08640	39.2
218.08997	2.7
219.10216	62.0
220.10521	3.6
231.10243	4.1
235.09735	17.4
241.01315	1.5
255.02994	1.5
267.06665	1.1
271.09705	3.7
281.08270	1.5
283.02441	1.3
299.01895	2.1
299.09250	3.0
299.18811	1.4
323.12738	6.1
341.13928	89.8
342.14355	9.6
420.08328	1.1
443.22650	1.3
461.23877	2.3
473.24615	1.4
503.19110	74.5
503.25519	15.3
504.19519	10.6
504.25906	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.6
55.24903	0.7
58.00467	1.5
59.01252	100.0
60.01597	1.2
65.11092	0.7
69.03345	1.8
71.01256	41.2
71.02314	1.4
72.99190	1.2
73.02821	86.0
74.03168	1.4
74.64822	0.6
75.00742	0.8
77.06042	0.6
83.01262	20.2
84.01559	0.8
85.02823	4.0
87.00724	1.0
89.02316	6.6
93.03374	1.5
97.02827	1.1
99.00788	1.1
101.02327	50.1
106.78586	0.6
113.02339	9.4
116.31506	0.6
119.02596	0.8
119.03432	3.3
119.04916	37.3
120.05287	1.2
121.76093	0.7
125.02373	2.3
131.03459	2.9
135.04366	0.7
143.03438	2.8
147.04471	0.9
149.04486	2.1
155.03412	2.1
159.04472	1.8
161.04492	7.0
191.05585	1.2
203.05577	0.7
206.50719	0.7
265.08801	2.6
281.11832	11.4
281.14594	0.9
282.12015	0.8
284.79636	0.8
461.18454	1.0
503.19232	7.7
504.19754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	38.5
59.88649	1.2
65.03808	1.6
67.01754	1.5
69.26241	3.2
69.26655	11.7
71.01256	6.2
73.02840	2.2
78.95728	1.4
85.02805	4.5
89.02268	1.5
91.05395	8.3
93.03347	7.5
95.01318	1.1
101.02303	3.9
105.03349	3.0
107.04875	2.4
109.02849	12.8
111.00741	1.2
113.02328	1.6
119.04900	9.3
121.02845	12.9
121.06446	3.4
122.03653	1.9
123.04411	9.4
125.02359	1.4
133.02818	2.1
135.04413	83.9
136.04729	5.3
137.02322	4.1
145.87823	1.3
147.04402	4.8
147.36395	1.5
148.05136	2.1
149.02312	5.9
150.03098	5.8
151.03871	10.5
161.04697	1.3
161.06009	5.6
163.03857	3.8
164.04640	2.2
165.05489	58.6
166.05777	2.0
167.03430	2.2
173.04469	3.4
175.07619	2.2
189.09140	2.9
191.05568	10.0
192.05974	1.2
192.07823	2.2
193.08592	6.7
201.09132	9.1
203.10652	2.5
205.08557	2.5
217.08643	35.1
218.09047	3.7
219.10231	15.6
231.10266	1.4
235.09714	20.4
236.10049	1.8
253.79683	1.2
271.09671	3.5
284.36240	1.2
291.07648	3.3
306.10062	2.5
323.12808	4.0
341.13928	100.0
342.14297	10.6
350.08926	2.3
434.98495	1.4
503.19156	48.0
503.27216	2.6
504.19577	5.3
523.29791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.4
57.03328	4.6
58.00468	1.4
59.01252	54.4
60.01569	0.7
62.00032	0.5
65.03825	1.1
67.01766	4.0
67.71397	0.5
69.03329	2.3
71.01253	59.6
71.18929	1.3
72.99178	3.4
73.02820	27.7
75.00750	1.8
81.03339	1.4
83.01258	9.6
83.04898	1.0
85.02823	24.3
87.00744	5.0
89.02318	25.5
91.05412	1.6
93.03336	9.2
94.03680	0.9
95.01253	4.1
97.02824	3.5
99.00755	13.7
99.04407	0.9
101.02322	48.1
102.02678	1.1
108.02044	1.1
109.02840	16.1
111.00736	1.8
111.04427	1.9
111.87747	0.5
113.02332	19.7
115.03891	2.3
117.03425	0.8
119.03419	4.9
119.04916	12.8
121.02846	66.0
122.03192	1.8
123.04414	3.8
125.02330	5.2
129.01822	1.7
130.04152	1.3
131.03404	4.6
133.02853	26.4
134.03157	0.7
135.04427	16.0
137.02412	0.5
137.05975	1.2
143.03407	2.6
145.02846	1.3
147.04417	26.3
147.28302	0.5
148.04744	0.8
149.04454	7.6
149.05969	1.5
155.03391	1.3
159.02957	3.7
159.04410	40.0
160.04781	2.0
161.02370	1.2
161.04463	21.0
165.05475	11.2
165.91316	0.5
166.72581	0.6
173.04474	17.6
174.04817	2.1
177.05492	18.0
177.07054	0.9
178.05721	0.6
179.03331	0.7
185.06039	1.1
187.07530	0.6
191.05536	7.1
192.05962	0.6
205.03323	0.8
209.15381	6.0
215.05635	0.7
225.09154	0.5
233.06657	4.2
237.09224	1.6
255.10173	0.9
263.07193	0.8
267.06631	1.8
268.07376	1.0
269.04684	0.5
269.08173	1.9
279.06583	0.8
279.16168	0.6
281.08176	46.6
282.08551	4.4
293.08755	1.4
299.09247	100.0
300.02487	0.6
300.09531	8.1
323.09119	1.1
323.15118	0.6
328.24954	2.4
329.25223	1.5
341.02966	0.6
341.10214	2.5
342.10617	0.7
371.20734	48.0
372.20981	2.6
415.45633	0.7
502.30200	3.2
503.16129	4.8
503.24954	81.6
504.17368	0.8
504.25317	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95647	0.7
55.01775	1.0
57.03324	2.1
59.01253	62.6
60.92956	0.7
65.03838	1.7
67.01744	1.7
69.03329	0.8
69.16391	0.8
69.60957	0.7
71.01253	19.1
71.58504	0.8
71.58887	1.1
72.99191	2.1
73.02817	8.7
77.03844	1.8
78.95768	5.8
83.01258	3.0
85.02828	10.3
87.00766	1.6
89.02327	7.1
91.01820	1.1
91.05421	4.4
91.28175	0.7
93.03342	6.0
95.01270	1.9
96.96852	2.5
99.00746	2.2
101.02321	10.5
105.03350	3.4
105.07001	2.4
107.04897	3.1
108.02038	0.9
109.02836	9.3
111.04373	1.1
112.01544	0.7
113.02326	7.5
113.04787	0.7
117.03365	3.6
119.03479	2.6
119.04916	97.8
120.05268	3.2
121.02842	16.2
122.03197	2.9
123.04418	5.7
125.02319	1.3
131.03520	1.0
134.03638	0.8
135.00793	1.8
135.04419	54.7
136.04744	1.7
137.02339	30.0
143.03419	1.1
145.02864	1.1
147.04395	3.9
149.02345	2.4
149.04750	1.3
149.05986	9.7
149.09644	1.0
153.01846	2.2
159.04427	1.1
161.02338	6.2
161.04483	2.8
161.06012	0.9
162.03108	1.0
163.03900	1.2
165.05486	12.9
167.03450	1.8
173.04462	3.9
175.03754	0.9
175.07507	5.3
177.01920	1.1
177.05457	1.3
177.45964	0.9
179.03424	33.3
180.03763	2.1
185.06003	1.1
186.06761	1.3
187.07507	5.1
191.05551	5.9
193.08759	2.2
197.04482	13.2
198.04663	0.9
201.09148	15.9
205.08633	8.9
217.08636	7.3
219.10226	10.1
227.03423	1.1
231.06537	1.7
231.10098	1.1
235.09698	4.0
253.04832	1.0
253.12279	0.9
269.04572	1.0
269.08002	1.3
280.03818	2.8
281.08194	14.3
282.08456	1.3
295.09607	1.0
297.11398	4.3
298.08212	0.9
299.09241	100.0
300.09573	10.1
311.31274	0.8
323.09174	6.7
323.12863	6.5
324.13031	1.0
329.23187	1.1
341.03421	1.3
341.10260	21.0
341.13986	15.6
342.10568	1.9
342.14304	1.9
359.28119	2.8
436.00385	0.9
443.22470	1.4
443.27417	1.0
461.24091	2.7
503.07669	1.7
503.18829	14.2
503.25446	16.1
503.32364	3.3
504.19815	1.8
504.25922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72184	0.1
51.73546	0.1
54.80944	0.1
59.00988	0.1
59.01250	1.1
59.98389	0.1
68.81451	0.1
71.01257	0.2
78.95775	7.2
83.04912	0.1
127.07539	0.3
135.04434	0.1
152.67220	0.1
152.99471	0.7
168.04227	1.8
171.00565	0.1
213.46097	0.1
224.06886	1.2
233.22733	0.3
242.07950	3.1
243.08369	0.1
259.20499	0.5
266.57144	0.1
275.20135	0.5
276.20737	0.1
277.21710	100.0
278.22067	8.9
502.29425	4.6
503.29538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03316	0.7
58.00461	1.1
59.01252	40.3
60.01577	0.6
60.47131	0.4
65.03811	2.0
67.01765	4.3
69.03323	0.9
69.33230	3.5
71.01254	18.2
72.99164	1.1
73.02820	22.8
74.03171	0.5
76.90911	0.4
78.95749	0.4
81.03352	0.7
83.01257	7.3
85.02820	2.1
85.09393	0.3
87.00757	1.2
89.02316	4.4
89.03845	0.8
90.68569	0.4
90.98471	5.8
91.05408	1.8
93.03336	1.7
95.01267	0.7
95.04897	0.9
96.95948	0.4
97.02855	0.9
98.19832	0.8
99.00754	0.8
99.04380	0.5
101.02324	16.6
108.02051	2.4
109.02838	22.6
110.03159	0.4
113.02326	4.6
115.05434	0.7
119.03387	1.5
119.04894	0.7
121.02847	27.2
122.03212	0.6
123.04401	3.4
125.02353	0.7
130.04156	2.4
131.03381	1.0
133.02856	35.0
134.03241	1.1
135.04417	12.7
136.04764	0.7
143.03392	1.0
145.02849	1.4
146.10686	0.4
147.04434	7.0
149.04488	1.2
149.06015	1.9
151.00261	0.6
152.01094	0.7
152.96823	0.3
155.03481	0.4
159.04430	28.7
160.04781	1.4
161.02299	0.8
161.04456	2.3
161.05858	0.7
169.06430	0.5
171.04431	0.6
173.04539	0.6
173.06108	0.4
177.05536	0.6
185.06047	0.5
191.05573	2.1
191.50647	0.4
193.06471	0.6
193.10207	0.4
197.05998	0.5
199.04012	0.7
209.06000	1.0
211.07576	1.4
213.05484	0.6
221.06081	0.4
235.07509	1.2
237.05505	0.9
237.09244	2.6
238.06340	0.4
238.09441	0.4
239.07104	0.9
241.05000	1.3
253.05008	0.5
253.08621	0.5
255.02896	0.5
255.06573	2.4
263.07147	0.9
265.05042	12.1
266.05630	1.9
267.06122	0.5
269.04459	0.8
279.06531	0.6
281.08185	100.0
282.08533	8.9
283.06110	1.6
285.04108	0.4
299.09213	1.4
305.08185	1.1
323.09256	2.8
341.03378	0.7
341.10266	11.7
342.10675	1.0
342.97528	0.4
371.20648	0.4
443.13159	2.2
461.14429	5.7
461.24118	0.7
462.15070	0.9
503.15652	16.9
503.24979	3.4
504.15985	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29563	0.1
55.01735	0.1
59.01251	1.3
61.15045	0.1
61.98682	0.1
62.96294	0.1
71.01241	0.4
78.95776	28.3
83.04883	0.3
96.96844	0.4
104.97301	0.1
111.68706	0.1
113.02518	0.1
113.06004	0.1
122.98410	0.2
127.07533	0.3
127.59629	0.1
134.98421	0.3
136.36349	0.1
152.99490	4.5
168.04219	3.9
168.05673	0.2
171.00563	0.6
194.05795	0.2
224.06894	11.8
225.07220	0.3
227.03111	0.1
229.78151	0.1
231.21141	1.2
233.22758	0.4
242.05519	0.2
242.07976	2.9
245.01807	0.2
245.04292	2.7
259.20609	0.5
275.20135	1.5
277.21713	100.0
278.22061	9.1
413.21310	0.1
450.02515	0.1
502.29395	19.1
503.29880	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79386	0.2
53.12279	0.2
54.42810	0.3
55.45577	0.2
57.03326	0.6
59.01250	100.0
59.16357	0.3
60.01588	1.0
62.11723	0.2
71.01260	4.8
71.58427	0.3
72.99199	0.4
73.02824	0.9
78.95767	0.6
78.98163	0.3
80.43442	0.2
83.01275	0.7
85.02829	1.7
85.50253	0.2
87.00740	0.3
89.02335	2.2
93.03355	0.6
96.96861	0.3
97.06415	0.2
101.02322	2.3
113.02340	1.6
119.03403	0.9
119.04889	0.3
121.02833	2.1
125.02325	0.4
135.04402	1.3
137.02371	0.4
140.48070	0.3
149.06012	0.3
155.13916	0.2
161.02354	0.4
161.04510	0.6
173.04509	0.9
180.04184	0.5
181.12239	0.3
191.05521	1.3
195.06599	0.5
237.15526	0.2
255.28278	0.3
311.05875	0.3
321.11377	0.7
339.08774	0.5
339.12433	0.8
442.31500	0.4
460.33014	1.0
465.05148	0.3
484.10138	0.3
501.18326	0.4
501.25671	0.4
501.31387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82313	0.2
59.01243	0.4
59.02615	0.2
62.80852	0.2
64.22388	0.2
65.03830	2.1
67.01765	0.6
71.06620	0.3
71.06968	0.5
71.55257	0.2
91.05405	11.3
92.05735	0.4
92.83055	0.2
93.03326	2.5
109.02834	14.7
121.02840	13.5
121.32664	0.2
122.03214	0.2
133.02867	0.3
135.04413	100.0
136.04738	4.0
137.02344	2.2
147.04424	5.4
148.04764	0.4
159.04420	2.7
160.04750	0.2
161.02379	0.2
161.05925	0.2
178.95093	0.3
187.07620	0.2
191.05548	0.4
191.10730	1.3
202.09927	1.4
211.03894	0.2
217.12274	17.0
218.12518	1.1
303.10287	0.3
339.15991	44.6
340.16324	5.2
347.09232	1.0
391.08325	1.6
423.37506	0.2
501.12155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.3
59.01251	100.0
60.01585	1.0
71.00881	1.0
71.01247	7.0
71.58356	0.9
73.02831	2.0
77.79433	0.6
78.95783	2.9
83.01257	0.8
85.02837	2.3
89.02313	3.8
93.03362	1.8
95.01277	0.8
96.96866	1.9
99.04415	0.7
100.22596	0.6
101.02295	3.2
109.02847	1.1
113.02336	2.8
119.03423	2.0
121.02844	50.6
122.03204	1.9
133.02892	1.1
135.04391	2.9
137.02379	0.6
144.04106	0.7
147.04433	1.2
148.99974	0.6
161.04562	0.8
173.04503	1.7
177.39076	0.5
179.03471	1.0
179.05573	0.8
191.03476	2.2
191.05602	3.9
218.73364	0.6
297.07962	1.0
321.07678	0.6
339.08725	1.5
339.12537	3.0
359.79459	0.6
406.17950	0.6
416.43195	0.6
501.26318	2.7
502.26715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18289	0.2
56.91918	0.3
59.01250	6.4
65.03828	2.1
67.01752	0.5
71.01250	0.7
75.45689	0.3
85.02832	0.5
87.00759	0.3
87.04398	0.5
91.05408	11.1
92.05787	0.3
93.03340	2.5
97.04039	0.2
99.88553	0.2
101.02364	0.3
107.04872	0.3
109.02837	12.1
110.03247	0.3
113.02322	0.3
121.02840	12.8
122.03177	0.6
131.52069	0.2
133.02849	0.7
134.03632	0.3
135.04414	100.0
136.04744	3.7
147.04422	6.6
149.05972	0.7
159.04419	3.2
177.05530	0.3
177.09073	0.7
177.12688	0.3
185.14754	0.3
191.05571	1.0
191.10730	1.3
195.13843	0.7
201.09367	0.4
201.11360	0.3
202.09915	1.5
203.10713	2.0
204.11151	0.2
217.12297	17.8
218.12622	1.3
237.14900	0.4
247.13478	0.8
293.04593	0.5
295.06100	0.4
322.04730	0.6
339.15991	40.4
340.16290	4.3
474.46616	0.3
501.21240	3.4
502.21899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1765
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
57.03376	0.5
59.01253	25.8
65.03857	0.5
71.01256	1.6
72.70975	0.4
73.02828	0.5
74.23929	0.4
75.10592	0.4
81.11450	0.4
85.02814	1.1
85.28568	0.4
91.05396	1.1
93.03331	2.0
96.21427	0.5
101.02331	1.0
105.03343	12.6
109.02852	1.8
110.11987	0.5
113.02317	0.5
119.04917	84.2
120.05245	3.0
121.02852	2.3
129.07040	0.6
135.04422	12.2
136.01506	1.1
136.55565	0.5
149.02353	4.5
153.43555	0.5
157.06502	5.3
159.04413	1.1
161.02361	0.7
162.03178	0.9
163.03917	0.8
167.03424	7.1
171.65271	0.5
173.04555	1.0
173.05925	0.8
175.07558	0.7
191.05530	1.3
194.02182	0.8
199.07523	2.3
201.05493	2.0
217.08658	3.0
219.06567	21.4
220.06891	1.3
237.07660	10.8
265.14413	0.7
267.06598	1.0
268.07410	1.3
269.08087	3.8
321.11276	2.4
339.12360	100.0
340.12689	9.7
381.13284	0.9
501.17697	2.0
501.30453	0.5
510.69244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1766
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
58.71918	0.5
59.01250	4.1
65.03834	2.8
66.81194	0.5
70.87862	1.3
71.01265	0.6
72.14198	0.5
74.31995	0.5
79.05410	0.5
85.02833	0.5
91.05408	14.7
92.05770	0.5
93.03339	3.4
94.19542	0.5
107.04873	0.8
108.02047	2.9
109.02846	8.6
109.06474	2.4
111.00788	0.6
117.03339	0.8
121.02845	11.0
122.03629	7.1
123.04398	0.6
133.02837	6.2
133.06494	0.5
133.10149	0.8
135.04411	100.0
136.04726	3.9
144.05704	1.0
147.04405	2.4
157.06549	2.6
159.04451	1.5
159.08041	4.7
161.02348	90.3
162.02657	3.8
163.03947	0.8
174.03139	0.6
175.07524	0.6
177.09125	52.8
178.09451	2.7
179.03581	0.7
187.03955	0.5
191.05519	2.2
203.07053	8.4
217.08754	0.8
217.12254	4.4
219.10240	3.1
221.08136	15.0
222.08519	0.6
229.08720	2.3
238.06471	0.6
263.12198	0.6
277.04959	0.7
321.11282	12.6
322.04688	0.6
322.11646	1.1
339.12360	75.5
339.15979	8.4
340.12680	6.6
340.16458	1.2
421.85632	0.6
429.81693	0.6
470.11667	0.6
493.38290	0.5
501.17560	13.3
501.29623	0.5
502.18097	1.9
513.59082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41607	0.4
57.03321	0.7
59.01257	21.4
60.01578	0.5
65.03840	6.2
67.01765	3.4
68.99691	0.4
69.03323	1.6
71.01259	45.9
72.01588	0.5
72.99194	0.4
73.02831	3.1
83.01262	3.8
85.02831	3.9
87.00753	0.7
89.02330	3.4
91.01768	3.4
93.03353	1.7
95.01268	1.2
96.95908	0.9
97.02829	0.5
99.00760	0.9
99.04379	0.6
101.02335	3.2
107.01234	0.5
108.02084	0.7
109.02845	100.0
110.03171	3.6
113.02339	3.8
116.22501	0.5
119.03406	1.1
119.04981	0.7
121.02847	1.5
125.02335	1.0
133.02864	0.8
135.00783	13.0
135.04408	4.7
137.02374	0.8
139.65474	0.4
143.03430	0.6
147.04456	0.9
149.02325	0.5
149.04518	0.8
149.05963	0.6
151.03926	0.8
153.01848	60.3
154.02229	2.8
161.02344	0.9
161.04503	1.2
161.05994	2.3
163.03914	1.6
163.11171	0.4
165.05519	1.9
173.04492	1.8
176.03922	0.5
177.01805	0.9
179.03447	0.9
179.07124	2.0
189.05460	0.4
191.05571	3.6
191.07112	0.8
203.05661	0.5
205.05060	0.6
247.15411	0.4
253.07013	0.6
279.16019	0.8
295.08173	0.5
301.10797	1.1
302.64810	0.4
339.07190	4.3
357.08255	11.6
358.08582	0.9
397.11331	0.5
411.09329	6.2
415.12485	2.4
463.15970	2.0
501.12497	33.7
501.22849	2.3
502.12802	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27890	2.6
59.01253	100.0
64.51307	2.8
65.45923	2.9
69.44056	7.8
69.44484	19.0
78.95754	3.8
94.89528	3.2
98.10324	2.6
101.66223	2.6
102.25470	2.5
118.09030	2.7
162.19466	2.7
221.54022	3.5
291.60593	3.1
365.27109	6.6
499.30960	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55647	1.1
58.21625	1.1
59.01251	100.0
71.30759	1.1
71.57829	1.5
71.58195	1.7
95.45016	1.1
96.30659	1.2
96.95963	1.4
154.06114	1.2
169.73019	1.2
217.04259	1.2
259.08670	1.5
260.42603	1.2
347.25958	1.5
365.26926	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93109	0.2
55.01755	0.3
57.03319	0.3
58.00461	0.4
59.01252	7.0
69.35001	1.7
71.01256	4.8
72.21894	0.2
72.99190	0.4
73.02824	1.1
83.01254	0.5
83.04883	0.3
85.02823	1.4
87.00746	0.5
89.02317	3.7
94.14341	0.2
95.01250	0.5
97.02876	0.2
101.01693	0.4
101.02325	4.7
113.02337	2.2
119.03386	1.3
119.21551	0.2
127.07542	0.3
127.67158	0.2
133.04901	0.3
143.03389	0.5
152.99472	0.3
155.87820	0.2
160.30379	0.2
161.04488	1.8
179.05544	0.6
191.18178	0.2
219.13530	0.2
219.21120	0.3
235.08183	1.0
245.19070	0.4
253.09265	15.4
254.09520	0.9
261.18674	0.2
263.20154	100.0
264.20490	8.6
269.21274	0.5
270.21564	0.5
271.22800	1.5
419.15778	0.2
499.26620	0.5
529.13629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90298	0.2
55.01760	0.5
57.03336	0.2
58.00474	0.4
59.01248	14.0
63.39276	0.2
69.84605	1.1
71.01254	4.8
72.99165	0.3
73.02814	1.0
78.95781	1.0
83.01255	0.7
85.02819	1.3
87.00755	0.7
89.01768	0.2
89.02315	4.0
95.01250	0.3
98.19792	0.3
99.00758	0.5
101.01693	0.4
101.02320	4.8
113.02328	2.5
113.18331	0.2
119.03397	0.9
125.02406	0.2
127.07519	0.2
128.25522	0.2
132.25940	0.2
133.04950	0.5
143.03340	0.3
152.99460	1.2
161.04466	1.9
171.00566	0.4
179.05519	0.7
200.49290	0.2
219.21167	0.3
221.28560	0.2
235.08232	1.4
245.04266	0.7
245.19075	0.3
253.09250	16.4
254.09570	1.1
261.18594	0.5
263.20139	100.0
264.20474	9.8
264.23370	0.3
271.22760	9.7
272.23038	1.0
306.15640	0.2
499.26563	1.8
500.26639	0.2
511.17233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44101	1.1
57.28851	1.0
58.80106	0.8
59.01254	100.0
70.87564	2.7
71.01259	4.1
85.02863	0.9
85.78136	0.8
86.25037	1.0
89.02321	2.8
93.50751	0.9
95.01294	1.1
101.02335	2.9
113.02335	5.8
119.03375	1.0
133.53857	1.0
161.04457	2.1
221.06467	1.0
277.21729	75.9
278.22086	8.0
291.23380	2.1
319.22842	1.4
334.50156	1.0
391.94095	0.9
499.30505	1.7
500.30615	1.1
510.49527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10550	1.8
59.00951	3.6
59.01253	70.6
67.08170	1.6
70.04272	1.8
71.58098	3.0
78.95773	25.2
90.31013	1.6
96.96841	2.2
97.52477	1.8
144.72163	1.6
151.52773	1.8
152.98318	2.9
152.99500	38.4
153.00729	2.1
171.00591	2.8
225.22231	5.6
227.03276	8.6
245.04359	5.2
255.79430	1.9
271.22778	100.0
272.23166	9.5
466.52252	1.7
499.26697	54.0
499.33554	2.7
500.26657	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27650	0.4
59.01250	74.4
60.01587	0.7
60.99204	0.4
70.91942	0.6
70.92275	0.7
78.95779	11.2
90.77438	0.4
93.28151	0.4
96.96843	1.0
98.19823	0.4
152.99501	11.5
153.99814	0.6
171.00549	3.0
211.21016	0.5
213.97429	0.5
227.03265	1.7
239.59477	0.4
243.43803	0.4
245.04333	6.8
271.22778	100.0
272.23087	8.7
398.48795	0.4
485.18259	0.5
499.26797	23.4
500.27283	3.1
527.56049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20441	5.0
55.01732	4.2
57.03323	4.5
59.01252	97.0
60.99171	4.7
63.13403	4.0
71.01257	46.8
71.64794	4.3
72.99180	15.3
73.02827	7.1
75.00739	12.0
83.01248	9.4
85.02824	17.2
87.00750	20.5
89.02359	5.9
91.79617	4.9
93.03331	26.3
97.02798	6.2
98.19660	7.7
99.00761	20.9
109.02782	5.7
111.00751	17.0
111.04420	5.4
111.08047	11.9
112.98685	23.5
115.00246	8.7
118.63901	4.4
123.04325	4.7
124.98692	16.2
125.09602	18.4
125.99482	7.2
129.01874	5.7
135.02861	8.5
135.04417	30.0
136.04694	5.5
137.09573	8.6
140.98207	62.6
141.98944	18.5
142.99774	70.4
149.02365	4.8
152.98228	4.8
153.98996	21.5
154.99725	20.0
155.03468	4.7
158.49081	4.1
161.02367	8.2
170.99277	34.2
171.10194	20.5
171.98643	8.2
172.00046	96.8
173.00838	56.1
173.04439	25.8
179.03406	11.6
191.05530	100.0
192.05867	9.8
199.09654	5.2
201.11252	47.7
213.11273	25.4
215.12811	7.0
233.61205	4.1
289.18198	9.0
307.19144	15.5
309.20779	28.3
310.21021	5.4
325.20193	90.1
326.20551	13.6
337.10931	6.6
350.38718	4.2
407.20715	9.0
451.19736	8.3
469.20712	13.2
481.20343	6.6
499.21805	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27794	0.5
57.03316	0.9
59.01248	13.4
60.99163	0.6
67.01765	1.8
69.03330	0.9
70.92022	1.1
71.01255	5.9
73.02823	1.7
78.43339	0.5
81.03320	1.1
83.04876	0.8
85.02824	11.0
87.00746	2.7
89.02314	2.5
93.03332	9.7
93.31556	0.5
95.01280	0.8
96.95889	1.2
97.06461	1.0
99.00748	0.8
99.04361	0.9
101.02326	2.1
108.02048	11.8
109.02847	8.0
110.03172	0.8
111.04411	2.9
113.02348	1.1
119.03374	0.6
119.04958	0.7
120.61998	0.6
121.02836	1.7
121.77011	0.5
123.00785	0.8
123.04388	1.2
125.02367	1.0
125.05978	0.6
127.03903	2.2
127.07507	1.3
133.02827	0.8
134.03636	5.5
134.54707	0.5
135.04425	2.3
136.01544	1.0
137.02319	2.0
139.03932	0.6
139.07526	0.7
141.05435	1.0
149.02364	0.6
151.03903	0.7
152.01060	11.7
153.01834	5.3
161.02335	0.7
161.04520	0.7
163.03981	1.0
165.05429	0.7
168.00548	0.6
171.02917	0.7
173.04469	18.8
179.03407	0.6
179.10684	1.2
182.90051	0.5
187.03923	2.2
187.07568	3.2
191.05539	100.0
192.05823	4.3
195.13937	0.8
201.11215	0.8
202.06296	2.5
205.08678	0.9
221.11865	0.6
223.09866	0.8
231.10176	1.8
238.73224	0.6
239.12749	0.5
242.58755	0.6
257.13937	1.1
263.12775	1.0
275.09390	0.6
286.16769	0.6
289.10800	1.1
293.10287	0.7
301.12903	2.1
307.11868	3.3
310.77753	0.7
325.12842	1.5
467.15381	0.6
481.17355	1.9
499.18423	16.5
500.18427	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38129	0.7
54.77433	0.7
56.50169	0.7
57.03323	92.8
58.03669	1.5
59.01252	40.4
60.88465	0.6
62.93864	0.6
69.51361	5.1
71.01244	5.1
73.02827	2.6
81.03326	0.9
83.01269	0.9
84.25300	0.6
85.02805	3.7
89.02316	2.0
93.03347	2.0
99.04398	42.3
99.39671	0.7
100.04728	1.3
101.02325	16.9
108.02039	1.6
109.02838	1.9
113.02353	3.3
119.03436	0.9
119.67623	0.7
125.02332	13.8
135.04405	8.8
143.03421	1.5
152.01068	2.6
153.01826	1.2
153.38214	0.7
161.04494	2.3
163.03917	79.4
164.04198	4.2
173.04474	2.7
178.06271	71.1
179.03383	0.9
179.06746	3.5
191.05539	5.2
193.08632	100.0
194.08949	5.6
197.93146	0.7
205.40669	0.7
262.12085	0.8
325.64920	0.8
499.18665	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89482	0.3
57.98809	0.3
58.00466	0.5
59.01252	12.6
67.01743	1.5
69.73804	1.2
69.74228	0.7
71.01249	8.5
72.99178	0.8
73.02812	0.5
81.03366	0.4
83.01234	0.4
83.04868	0.5
85.02817	1.8
87.00768	0.7
89.01768	0.5
89.02319	7.4
93.03332	9.5
98.20568	0.6
101.02327	6.1
109.02841	0.8
111.00764	0.5
111.04402	2.4
113.02338	2.6
119.03384	4.0
119.04852	0.4
127.03898	0.4
137.02341	3.6
155.03389	3.2
161.04483	0.4
163.03914	0.7
163.99837	0.2
173.04478	43.7
174.04837	2.0
179.05591	0.4
184.04491	0.3
191.05551	2.2
242.69594	0.3
279.49991	0.3
301.10474	0.3
311.67279	0.3
348.41678	0.3
350.48007	0.3
353.10880	100.0
354.06827	0.4
354.11215	8.0
420.13986	0.3
499.14197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76650	0.4
57.03298	0.8
58.00466	0.5
59.01256	13.8
67.01747	1.7
69.03324	0.9
69.64698	3.1
71.01257	9.4
72.99190	0.6
73.02814	0.6
75.00726	0.4
75.42107	0.3
83.01266	0.9
83.04908	0.5
83.95388	0.4
84.51567	0.4
85.02828	2.7
87.00748	1.8
89.02329	5.9
91.33793	0.4
93.03336	18.2
93.03925	0.9
94.03654	0.9
95.01280	0.7
96.95889	1.1
99.00753	0.8
101.02325	5.2
108.02081	0.6
109.02818	0.8
111.00754	1.7
111.04413	2.9
113.02322	3.0
119.03407	3.7
119.04885	2.4
121.02863	0.5
124.05992	0.4
125.02325	0.8
127.03931	0.5
131.03441	0.5
135.04288	0.5
137.02342	4.9
145.02814	1.1
153.01834	0.4
155.03389	3.0
161.04535	0.4
163.03903	1.7
173.04480	31.9
174.04774	1.5
191.05545	2.7
353.10895	100.0
354.11230	8.0
386.33734	0.5
488.12476	0.4
499.14624	1.1
513.63721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1457
Annotation	kn-93
Peak:m/z	Relative Intensity
59.01256	9.8
60.99171	3.1
67.01760	11.8
69.03327	4.0
69.26891	5.3
69.27322	10.6
71.01255	8.2
81.03330	1.6
83.01294	1.6
85.02834	4.0
87.00751	13.1
89.02332	5.4
93.03336	74.8
94.03693	2.1
96.95901	4.9
99.00724	1.9
99.04353	1.5
101.02312	5.1
109.02866	1.4
111.04416	11.8
113.02323	2.7
117.03402	1.5
118.25970	1.3
119.04918	28.3
120.05224	1.6
127.03913	1.8
129.01859	2.5
137.02351	3.8
139.00305	1.2
145.02917	2.2
145.90326	1.4
155.03362	5.0
161.04333	1.4
163.03923	19.7
173.04474	49.5
174.04718	2.8
191.05542	82.8
192.05930	2.7
247.46188	1.5
291.62839	1.5
299.38290	1.6
331.24747	1.5
337.09271	16.4
338.09897	1.8
353.10880	75.4
354.11191	4.8
379.10199	2.5
499.14569	100.0
500.14908	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68529	0.5
58.47460	0.6
64.67099	0.5
69.47224	3.9
69.47646	1.0
74.63387	0.6
78.95776	19.2
96.96845	1.6
98.20591	1.0
118.20257	0.6
152.99493	29.8
153.99783	1.0
171.00623	1.3
197.53084	0.6
221.35303	0.6
227.03201	4.4
245.04367	1.2
246.59688	0.5
268.89014	0.6
269.24850	100.0
270.25226	10.6
271.92508	0.6
405.24231	0.9
497.28845	47.3
498.29242	7.0
520.00336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2757
Annotation	Simplexin I
Peak:m/z	Relative Intensity
57.03313	1.1
57.94137	1.0
58.00451	1.6
59.01253	100.0
69.03311	3.0
71.01257	61.2
71.04897	1.7
71.58010	2.3
72.10039	1.0
72.99190	1.8
73.02821	72.9
74.03123	1.0
81.03339	1.7
83.01262	27.7
85.02828	9.1
87.00748	3.3
89.02332	7.8
91.85515	0.9
93.03329	4.6
97.02821	2.2
99.00724	2.5
101.02325	54.5
102.02694	2.1
110.44321	1.1
111.04434	1.3
113.02335	12.5
119.03377	3.6
120.34030	1.1
121.02837	2.2
125.02325	3.5
125.05858	1.2
131.03377	3.8
135.04384	3.6
137.02327	1.4
143.03404	3.0
145.04984	2.3
149.04434	4.3
155.03386	2.1
161.04462	9.6
169.95268	1.0
171.10153	3.1
173.04474	3.6
173.49248	1.0
181.30402	0.9
182.20425	1.1
191.05536	12.0
205.15225	1.1
221.06474	1.4
231.21083	1.4
266.32501	1.1
269.21121	1.6
275.20169	43.5
276.20483	3.4
291.19473	3.3
293.21124	7.1
309.20657	1.6
415.26788	2.4
437.25281	2.7
455.26489	3.6
497.27542	36.8
498.27759	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.0
59.01254	100.0
71.01264	16.5
71.58664	3.0
73.02828	7.8
85.02840	10.8
87.00746	4.6
89.02330	6.1
91.71178	1.9
93.03335	11.3
95.01333	2.1
99.00739	3.4
101.02302	11.6
109.02822	3.9
111.00758	3.2
111.04397	3.0
113.02358	8.4
119.03414	2.3
119.04929	6.5
121.02851	17.7
121.06535	3.2
123.00755	2.6
125.02320	2.5
135.04449	11.0
137.02364	5.8
142.37360	2.0
143.10713	4.2
143.52165	2.5
147.13269	2.1
149.06026	2.4
150.79578	2.1
155.03360	2.8
161.02336	2.3
165.01848	2.5
173.04433	13.3
179.03406	3.0
191.05556	28.6
293.21106	2.9
307.17719	2.8
451.30902	3.0
453.32693	10.2
455.26462	3.5
497.12399	3.0
497.20111	10.3
497.32025	26.4
498.32245	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1301
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
50.15200	0.4
59.01250	5.6
61.26981	0.5
61.45023	0.5
61.78372	0.5
67.01767	0.7
68.41799	0.4
69.03316	0.5
69.64121	3.5
71.01253	4.2
72.99188	0.9
83.01266	0.7
85.02827	2.4
85.06477	0.5
87.00733	2.8
88.32837	0.5
89.02322	3.6
93.03336	28.5
94.03685	0.9
95.01239	0.7
98.20528	0.9
99.00765	0.8
101.02332	3.5
107.04903	1.7
108.02062	1.0
108.18911	0.5
109.02838	1.3
111.00818	0.5
111.04382	1.6
113.02335	1.5
117.03404	0.9
119.03392	1.7
119.04910	0.6
121.02854	0.9
129.01938	0.7
132.02055	0.8
133.01845	0.7
133.02850	14.2
134.03667	4.4
135.04413	90.6
136.04736	3.7
137.02342	33.0
138.02629	1.0
143.03311	0.6
148.81726	0.5
155.03378	2.0
155.20737	0.5
161.02350	41.4
162.02707	1.5
163.03886	0.4
173.04486	3.3
175.07570	0.6
179.03419	100.0
180.03789	4.6
191.05531	10.2
237.04243	0.5
259.88217	0.5
305.07016	2.4
361.08029	0.5
468.71643	0.5
477.87549	0.6
479.25198	0.9
497.13028	16.0
497.25629	4.7
498.13080	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91088	3.1
59.01250	34.7
63.02275	5.6
65.00195	10.8
70.06752	9.7
70.07166	9.9
71.01242	14.4
72.99172	3.7
73.02835	4.0
76.36077	3.6
83.01244	8.5
84.36472	3.4
85.02831	8.1
93.03349	17.0
95.01265	15.4
99.00773	4.5
107.01263	20.0
108.02048	12.9
109.02825	15.3
111.00758	14.9
113.02386	3.9
114.22906	3.9
115.78925	3.5
117.03306	7.7
119.04906	12.6
121.02882	5.0
123.00751	14.0
123.04391	7.1
124.01521	7.8
125.02319	22.3
132.02087	6.2
133.02840	4.0
135.00754	7.2
135.04413	9.0
136.98636	3.4
137.02370	19.6
139.00247	18.8
141.01797	7.3
147.04413	8.0
149.02356	8.5
149.52966	4.8
151.00279	56.2
151.03955	5.3
152.01083	24.9
153.01822	18.0
154.99747	7.3
157.01320	15.3
159.04445	6.2
161.02368	11.9
163.00258	15.3
163.03896	4.5
165.01869	10.6
166.99768	6.7
169.01346	13.0
169.90178	4.5
173.04480	4.1
175.03845	5.5
177.01886	7.1
178.99782	38.9
179.03375	6.9
181.01395	4.7
182.99405	4.3
183.04512	5.2
187.03885	11.8
188.08385	4.3
189.01901	10.3
190.99828	4.3
191.03708	5.1
191.05554	22.2
192.00551	15.4
193.01370	22.1
197.00883	10.6
199.03911	7.9
201.05534	8.5
203.03473	11.9
205.01366	9.8
206.99327	19.3
208.00044	17.5
209.00859	14.4
211.03993	4.7
215.03496	10.1
217.01376	8.3
217.04906	11.4
218.02171	6.3
219.02948	10.5
227.03540	24.2
228.03880	5.8
229.04926	6.3
231.02960	11.5
233.04541	7.3
242.02190	4.6
243.02937	12.2
245.00798	10.0
245.04500	13.6
247.02409	14.0
255.02968	28.8
256.03668	4.5
257.04568	5.3
259.02438	16.2
261.03995	8.0
271.02448	32.4
272.03116	16.7
273.03955	33.9
274.04382	4.2
278.04697	5.3
283.02582	9.9
284.03244	13.4
285.03934	7.0
288.02713	4.4
289.03583	30.3
299.01865	27.4
300.02704	11.0
301.03522	14.9
316.02200	18.0
317.02957	58.2
318.03659	17.2
319.04596	17.3
335.04141	7.9
371.06253	4.4
377.07135	19.1
380.83463	4.1
435.09235	5.7
447.09314	27.2
451.08878	5.7
462.07538	3.9
463.08817	24.8
464.09314	5.6
479.08316	16.4
497.09485	100.0
497.16864	12.1
498.10013	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07399	0.5
51.08699	0.6
54.19595	0.5
57.03322	3.4
59.01244	0.9
61.96803	0.5
61.98702	0.8
67.81850	0.5
69.03320	0.7
69.69910	3.5
69.70329	1.0
71.01263	0.5
83.04875	0.8
84.83843	0.5
93.03328	0.9
95.04889	0.7
97.06462	8.4
98.85805	0.5
107.04916	0.9
109.02835	0.8
121.02856	1.0
121.06464	0.5
123.04411	1.4
123.08057	7.9
125.09615	69.9
126.09948	2.0
135.04410	0.9
139.11169	1.1
142.02637	0.8
143.10674	1.2
149.09621	0.7
151.11160	0.8
165.01883	0.6
169.08556	1.7
171.10155	1.1
187.09683	100.0
188.10023	5.2
192.86752	0.6
199.13310	6.9
200.13705	0.7
209.11719	1.3
211.13435	1.3
213.11263	0.6
223.09482	0.6
227.12822	1.5
245.19028	2.9
250.48691	0.6
255.41557	0.6
289.18091	23.0
290.18478	2.0
307.19138	34.4
308.19379	3.1
325.20181	1.0
391.15387	0.6
440.84714	0.6
495.29309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90459	1.7
71.58120	1.7
78.95776	40.7
96.96857	3.3
108.07117	1.6
112.95448	1.6
116.04352	1.7
120.07162	1.6
133.47752	1.6
152.99487	57.1
171.00540	19.1
227.03221	1.9
234.53369	1.8
245.04286	100.0
246.04680	3.2
267.23288	50.7
268.23590	4.7
285.01245	1.8
474.54663	1.9
495.27249	30.7
496.27631	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01593	1.3
61.98709	0.5
71.01260	4.7
71.06715	1.1
71.07060	0.6
73.02825	1.6
75.00773	0.4
78.80669	0.4
78.95782	1.1
83.01267	0.6
83.04879	0.7
85.02824	2.5
86.83212	0.4
87.00732	0.8
87.04394	89.4
88.04720	1.3
89.02338	1.3
93.03327	1.8
95.01288	0.7
101.02345	2.5
107.01199	0.5
109.02818	1.2
113.02293	1.1
113.45251	0.4
121.02824	0.6
122.26137	0.5
123.04372	0.7
125.02337	0.6
133.02873	0.7
135.04408	1.1
137.02318	0.8
152.99492	0.6
173.04437	1.4
191.05576	3.7
205.00510	0.6
212.76180	0.5
261.05194	0.6
305.15826	1.9
327.21527	0.7
347.16760	1.0
375.19839	1.6
393.21130	1.4
402.84860	0.5
435.22287	0.8
451.30655	0.7
495.18942	0.6
495.29605	1.1
496.20538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46529	0.3
57.03319	3.2
59.01253	100.0
60.01586	0.8
61.98698	0.8
70.98211	0.6
70.98588	0.6
71.01254	3.3
73.02829	1.7
78.95778	0.8
83.01258	0.7
83.04907	0.5
85.02850	1.9
87.00758	0.5
87.04392	44.2
88.04720	0.9
89.02318	0.8
90.82004	0.3
93.03357	0.7
95.01331	0.3
96.15095	0.3
96.82979	0.4
99.00735	0.5
101.02328	2.2
103.03893	46.8
104.04230	1.0
108.02005	0.3
109.02834	0.7
113.02304	1.6
119.04914	0.9
135.04350	0.7
137.02335	0.6
152.01147	0.3
153.78258	0.3
161.04466	0.5
161.11757	0.5
165.09074	0.5
167.35721	0.3
173.04446	0.7
177.01831	0.5
191.05579	1.6
194.85936	0.3
296.11508	1.0
299.55060	0.3
301.23749	0.3
305.15942	0.9
327.21323	0.3
328.10562	0.5
333.26224	1.0
336.01608	0.3
346.74612	0.3
347.16751	0.7
349.18588	0.5
393.20978	0.3
403.38351	0.3
420.19226	1.5
435.22162	0.6
463.28943	0.3
464.18066	2.1
495.17838	0.4
495.25192	0.4
495.31845	5.2
496.31671	0.6
505.65076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17926	0.7
57.03328	3.9
59.01254	100.0
60.01600	1.3
61.98732	0.6
69.35587	1.1
69.35994	5.9
71.01256	4.6
73.02836	3.0
78.95798	1.1
83.01271	0.9
83.04912	1.2
85.02838	3.3
87.00728	0.8
87.04395	21.1
88.04736	1.0
89.02346	1.7
93.03352	1.8
95.01271	0.9
97.06496	0.7
101.02348	3.3
103.03896	44.1
104.04243	1.3
109.02847	0.9
111.04469	0.8
113.02341	1.6
123.04465	0.8
125.02339	1.0
135.04465	2.9
137.02473	0.8
151.03894	1.1
153.05711	0.8
171.10222	2.0
173.04510	1.5
179.10698	0.8
183.13892	1.1
191.05579	4.1
197.11769	5.7
215.12831	20.5
216.13181	1.6
253.09322	3.4
269.92926	0.7
327.21902	1.8
333.12759	0.9
380.64499	0.8
463.15979	0.9
495.21152	1.7
495.32031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01593	1.3
61.98709	0.5
71.01260	4.7
71.06715	1.1
71.07060	0.6
73.02825	1.6
75.00773	0.4
78.80669	0.4
78.95782	1.1
83.01267	0.6
83.04879	0.7
85.02824	2.5
86.83212	0.4
87.00732	0.8
87.04394	89.4
88.04720	1.3
89.02338	1.3
93.03327	1.8
95.01288	0.7
101.02345	2.5
107.01199	0.5
109.02818	1.2
113.02293	1.1
113.45251	0.4
121.02824	0.6
122.26137	0.5
123.04372	0.7
125.02337	0.6
133.02873	0.7
135.04408	1.1
137.02318	0.8
152.99492	0.6
173.04437	1.4
191.05576	3.7
205.00510	0.6
212.76180	0.5
261.05194	0.6
305.15826	1.9
327.21527	0.7
347.16760	1.0
375.19839	1.6
393.21130	1.4
402.84860	0.5
435.22287	0.8
451.30655	0.7
495.18942	0.6
495.29605	1.1
496.20538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0778
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01250	7.7
62.40508	1.5
63.02253	1.5
63.17739	1.4
64.68324	1.9
65.00191	10.0
67.01763	1.9
69.57059	9.5
69.57476	3.1
71.01242	3.7
71.32584	1.5
75.16271	1.4
75.69268	1.5
83.01261	3.9
85.02827	2.0
86.58339	1.4
89.02322	2.1
90.58361	1.5
92.51472	1.4
93.03327	2.0
95.01251	6.8
96.99222	1.8
97.02882	1.5
98.19822	3.5
99.00727	3.1
99.45811	1.4
106.00473	4.7
107.01272	9.8
108.02055	2.5
109.02827	15.9
109.99967	3.7
111.00748	13.0
119.04947	1.9
120.99179	1.7
121.02861	4.1
123.00763	12.7
124.01581	3.0
124.98686	3.7
125.02337	6.2
133.02823	4.1
135.00763	2.9
136.98734	2.5
137.02301	5.5
139.00262	11.5
140.01126	2.3
141.01816	3.6
142.62689	1.4
143.04953	2.4
145.02867	2.4
147.04384	1.9
148.01593	1.8
148.98686	2.9
149.02339	4.9
149.99532	8.4
151.00272	23.9
152.00989	5.3
153.01825	6.0
154.99756	2.1
155.04881	1.5
159.04428	6.1
161.02344	7.1
161.06009	2.9
163.00217	4.4
164.01038	2.0
164.98192	2.9
165.01840	4.2
165.98997	3.1
166.23085	1.6
166.99785	5.4
168.00548	5.1
169.01323	5.0
171.04466	3.7
173.02328	3.8
174.03078	4.5
175.03909	11.8
176.04359	2.3
177.01820	3.8
177.99008	10.3
178.99782	36.1
179.03389	1.7
180.00276	2.6
181.01328	1.8
185.02356	3.3
186.03056	2.6
187.03917	12.2
188.04555	1.9
189.01857	4.4
189.05484	2.3
190.02635	3.3
191.03447	3.8
191.05501	2.6
192.00529	3.5
192.79398	1.6
193.01367	3.8
194.99356	4.9
199.03935	6.8
201.01904	6.1
201.05441	1.5
202.02658	2.1
203.03445	14.3
204.04166	3.4
204.97502	1.8
205.01315	2.6
205.05040	2.1
206.99294	1.8
207.02892	4.5
209.00914	2.5
213.01894	3.1
214.02620	3.3
215.03470	8.7
217.01389	3.7
217.04814	2.1
219.02919	2.5
221.86653	1.6
222.98743	2.8
227.03500	2.5
229.01337	3.7
230.02174	3.4
231.02942	12.7
232.00142	1.7
232.03682	11.8
233.00923	2.2
233.04546	15.9
234.04852	1.8
241.01285	2.2
242.02229	3.8
243.02975	15.0
245.00963	3.8
245.04576	2.8
247.02307	3.6
257.00900	2.9
258.01697	3.8
259.02435	12.6
260.03110	4.8
261.03915	9.3
269.00818	2.9
271.02472	28.6
272.02902	3.6
286.01239	6.7
287.01947	46.4
288.02686	17.3
289.03430	12.8
292.02896	2.2
297.00311	3.7
299.01923	14.6
303.01373	5.3
304.02274	3.6
305.03183	3.1
314.00684	3.2
315.01443	100.0
316.01743	11.7
332.01685	14.7
333.02304	10.7
343.06464	2.9
351.96667	1.7
355.06735	3.3
359.06131	6.3
395.09894	14.9
423.09299	3.1
443.05240	1.6
451.08786	4.5
462.08020	3.5
467.07956	4.3
477.06464	7.5
495.07797	67.5
495.15076	3.9
496.08142	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.6
59.01252	0.9
71.46672	0.8
71.57986	1.0
78.95776	2.0
111.08031	3.3
121.06443	0.7
125.09619	1.3
137.09604	2.4
139.11183	52.0
140.11508	3.3
152.99503	1.5
163.36461	0.7
167.10736	1.6
180.02881	1.0
183.10190	14.4
184.10493	0.7
199.09573	0.8
199.13321	1.0
201.11253	100.0
202.11664	6.9
213.11172	1.8
214.12065	1.2
240.13683	1.4
245.04277	1.6
247.20590	1.4
265.21848	1.4
279.23172	3.5
291.16687	1.4
291.19662	15.3
292.19998	1.3
309.20703	67.6
310.21008	7.6
373.53326	0.9
398.51776	0.7
424.21021	0.7
432.68924	0.8
475.24893	1.3
475.30539	3.1
493.32019	4.6
494.31195	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49063	0.5
53.27930	0.6
57.03324	0.6
59.01245	2.4
69.64111	4.0
73.02979	0.5
78.95776	1.3
83.04886	0.9
88.86475	0.6
90.83771	0.5
96.30298	0.5
96.95888	1.1
98.20428	0.8
99.00741	0.7
120.04147	0.6
121.10125	6.8
125.09628	1.2
127.11169	0.8
134.02345	1.0
137.09619	9.5
138.09996	0.7
149.55862	0.6
155.10689	100.0
156.10977	4.9
171.10188	34.5
172.10493	2.0
180.02954	1.3
181.08659	1.9
185.11818	0.9
199.09705	44.8
200.10100	1.9
201.11404	0.8
211.13368	0.7
217.10773	78.2
218.11130	3.7
229.53830	0.6
231.21237	1.6
236.19463	0.6
258.81952	0.5
264.72983	0.6
275.20166	23.3
276.20547	2.7
279.23340	1.8
288.17081	0.6
293.21234	28.7
294.21445	2.7
368.04471	0.6
369.87906	0.6
493.31693	28.6
494.31567	8.7
496.25470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.02398	0.5
57.03326	1.4
59.01250	100.0
60.01583	0.6
69.58122	3.9
71.01256	12.6
72.99189	0.9
73.02820	3.3
74.20358	0.4
75.00743	0.7
75.61146	0.4
77.30354	0.4
83.01256	4.2
85.02823	7.6
85.03295	0.8
85.99987	0.7
87.00761	0.6
87.04373	0.9
89.02341	1.1
95.01285	1.4
99.00763	1.4
101.02324	7.5
111.00790	0.8
113.02319	4.6
115.03906	0.7
125.02323	0.5
135.04439	0.9
138.87579	0.4
143.03499	0.8
159.02956	0.7
161.04472	2.1
171.13875	2.0
177.01871	2.2
191.05592	0.6
229.18004	0.6
246.05273	0.5
287.22256	1.0
289.23834	4.5
331.25024	1.2
361.27838	0.5
422.49786	0.5
431.27002	0.7
433.28094	20.6
434.28406	2.5
451.29211	11.1
452.29648	1.8
493.25854	1.1
493.30548	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24131	0.4
55.01754	0.5
57.03320	1.1
59.01250	100.0
60.01578	1.3
66.06174	0.4
69.03349	0.7
70.42445	1.4
71.01257	6.9
71.01619	0.7
72.99194	0.4
73.02821	1.9
83.01273	1.7
85.02827	3.4
85.99958	0.4
87.00769	0.7
89.02328	1.5
91.05420	0.4
95.01281	0.9
99.00777	0.9
101.02315	4.9
101.02906	0.5
109.02863	0.4
113.02330	3.7
119.03397	0.4
125.02351	0.8
126.70971	0.4
133.02849	0.9
135.04388	2.1
143.03419	0.6
159.02924	0.5
161.04497	1.3
171.13852	1.3
173.04460	0.5
177.01817	3.5
191.05569	1.7
196.87444	0.4
229.18010	0.9
256.82565	0.4
274.74988	0.4
289.23779	2.1
331.11899	0.4
331.25211	1.1
373.22342	4.2
374.22974	0.8
391.23529	1.5
394.58261	0.4
433.28207	10.7
434.28525	1.5
451.29208	5.7
452.29840	0.7
493.26123	0.7
493.30576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.1
56.47766	1.2
57.03324	2.0
58.00462	2.7
59.01252	100.0
60.01583	1.9
65.00227	1.7
66.64201	1.4
69.03343	1.8
69.99009	7.1
69.99414	2.2
71.01258	47.2
72.99177	3.5
73.02826	6.0
76.89916	1.4
79.64939	1.5
80.51856	1.3
81.03343	1.3
83.01290	4.5
85.02826	12.2
87.00764	4.4
87.04381	1.5
89.02316	49.2
93.03337	4.6
95.01270	3.1
97.02816	2.9
98.19753	1.4
99.00765	2.9
99.04402	1.7
101.02324	23.0
107.01281	2.6
108.02087	3.1
109.02850	6.0
112.93986	1.7
113.02332	18.3
119.03393	18.2
121.02822	1.5
123.00800	1.5
123.04423	5.0
125.02331	11.3
131.03433	2.2
135.04428	19.3
136.04765	6.7
137.02382	2.5
137.05016	2.5
143.03397	4.1
149.02356	1.7
149.04442	2.5
151.00285	16.9
151.03938	2.0
152.00688	6.2
153.00748	3.2
153.01907	1.7
161.02336	2.4
161.04482	9.2
161.42590	1.3
165.05522	3.3
167.03432	3.3
173.04498	7.3
176.03935	1.7
177.01927	1.9
179.03371	2.1
179.05533	14.2
191.05551	11.2
199.07642	2.5
233.06644	3.3
271.19266	1.8
287.05667	7.6
287.08945	2.9
288.06006	8.5
289.06198	10.2
293.08774	1.9
297.08453	1.5
331.07944	1.9
433.24393	11.7
451.25195	1.9
493.10349	1.9
493.25085	2.3
493.30557	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55772	0.4
59.01252	100.0
60.01588	1.8
66.63149	0.5
66.68990	0.4
71.01257	7.7
73.02828	3.8
83.01278	2.5
83.04914	0.6
85.02831	5.0
85.99984	0.5
86.50035	0.5
87.04391	38.0
88.04716	0.5
89.02331	1.1
93.03353	1.1
95.01283	0.9
96.95901	0.6
97.02850	0.8
99.00777	1.7
101.02319	5.7
106.13680	0.5
106.29086	0.6
109.02831	0.7
111.00787	0.7
113.02335	5.3
120.99579	1.3
125.02338	0.9
135.04462	2.0
138.03162	1.0
143.03433	0.8
147.04555	0.6
149.02200	0.6
149.06026	1.2
150.03108	0.7
151.03914	1.0
152.01106	0.6
153.01794	0.5
159.02927	0.5
161.04535	1.7
161.05995	1.1
163.03912	0.8
165.05559	0.9
165.12830	0.6
168.04233	0.6
169.05003	0.6
171.63148	0.5
173.04469	0.8
179.03543	0.5
181.04962	4.4
191.05566	2.6
245.08199	3.7
249.18704	0.5
271.13495	0.9
287.13104	1.2
287.22299	0.7
289.23874	2.7
303.14578	1.3
313.10748	0.9
331.11783	2.3
331.24997	1.1
345.15656	1.0
433.28067	14.4
434.28583	0.7
451.29117	6.7
452.29556	0.9
468.88599	0.6
493.21960	1.5
493.30356	5.0
508.96448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02829	0.7
59.01246	4.7
59.57594	0.9
62.09253	0.7
62.95239	0.8
64.57602	0.8
69.28693	2.1
69.29097	7.1
71.01220	1.3
87.27689	0.8
90.97022	2.8
93.03339	1.5
100.74771	1.1
113.02280	0.8
132.98085	5.8
135.04396	0.9
149.02353	2.1
150.02650	0.9
165.12746	1.5
174.99139	6.8
183.13821	13.6
186.99037	1.1
191.05559	2.3
201.00655	1.3
211.49495	0.8
255.09042	2.6
257.10651	4.8
265.08368	1.5
281.07114	1.0
283.08710	8.4
293.53604	0.9
297.10156	3.5
299.11691	6.2
301.09512	0.9
308.91885	0.9
343.10822	1.1
367.17874	1.7
401.19937	2.1
418.17889	1.9
419.21069	1.7
421.22733	3.8
421.28400	0.9
423.24344	2.4
431.21085	10.9
432.21420	1.4
449.22311	5.5
462.16858	2.4
475.20132	10.9
476.20193	1.1
493.21210	100.0
494.21530	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64003	0.4
55.01757	0.7
58.00484	0.4
59.01254	21.8
69.03335	0.5
70.20376	0.4
71.01254	11.1
72.99201	0.5
73.02818	12.8
78.95741	0.6
83.01245	2.5
85.02832	1.4
87.00753	0.7
89.02325	1.9
93.03330	1.6
95.01241	0.6
98.20563	0.9
99.00734	0.8
101.02322	8.2
107.01199	0.5
108.02055	1.5
109.02851	0.9
111.00819	0.5
113.02346	2.0
113.51466	0.4
113.88914	0.4
121.02862	2.4
121.41378	0.5
122.03635	4.7
131.03416	0.4
132.33168	0.5
133.02829	2.0
135.04399	1.6
136.01543	1.3
137.02328	1.3
149.02336	15.9
150.03152	8.2
159.04420	0.7
161.02356	24.1
162.03157	2.8
163.03908	0.6
173.04449	1.1
175.03867	1.1
182.02142	2.1
187.03903	1.8
188.04607	0.7
189.05537	2.6
190.06302	8.5
191.05531	1.9
201.05556	0.6
203.07080	0.8
205.08624	0.7
240.59654	0.4
253.08806	0.5
255.10307	0.7
271.13394	28.2
272.13779	2.9
273.14951	7.8
274.15338	0.7
289.14429	2.0
309.20743	0.7
367.14529	0.8
418.41013	0.5
433.18613	3.6
451.19760	5.9
452.19940	0.9
493.20801	100.0
494.21133	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
55.15302	0.7
57.03308	2.0
59.01252	79.5
60.97839	0.6
67.01754	1.2
67.79797	0.6
69.38760	5.4
69.39188	1.7
69.68352	0.7
71.01251	23.7
72.99194	1.8
73.02818	6.3
75.00763	1.4
78.84814	0.6
81.03330	2.3
83.00816	0.7
83.01254	4.6
83.04893	1.2
85.02824	13.2
87.00759	2.5
87.04379	1.6
89.02310	8.3
93.03344	4.6
95.01275	2.6
95.04897	0.8
96.95885	0.7
97.02844	2.0
97.06442	0.9
99.00751	3.2
99.04358	1.2
101.02324	16.6
105.61926	0.7
107.04885	1.2
108.02070	1.9
109.02847	3.7
109.99933	0.9
111.00781	1.6
113.02331	8.7
114.02708	1.0
115.22652	0.7
117.08983	0.8
119.03386	2.4
120.99538	2.1
121.02849	1.1
122.03617	1.5
123.00755	1.5
123.04423	5.8
123.08048	0.6
124.01562	10.1
125.02341	23.3
133.02829	4.7
134.03629	0.8
135.04436	5.5
136.04771	1.0
137.02342	18.0
137.05988	2.0
138.02612	0.7
143.03412	1.5
148.05167	1.0
149.02332	2.7
149.05960	1.3
150.03136	19.7
151.03914	100.0
152.01106	0.9
152.04268	3.1
153.01826	1.9
154.52335	0.7
159.02888	1.8
160.05247	1.0
161.02397	1.3
161.04453	4.8
162.02988	0.8
163.03923	8.7
163.07671	0.8
165.05470	0.7
165.12735	0.8
167.07043	2.8
168.87746	0.7
173.04462	2.9
175.07576	1.3
176.03946	2.0
179.03447	1.3
191.05534	9.5
191.07155	1.3
193.08672	2.2
196.81668	0.8
199.17043	0.7
269.15494	1.2
287.07758	1.9
289.23825	1.9
299.07764	1.9
313.09482	13.4
313.14465	3.2
314.09802	1.9
330.11041	1.9
331.11844	47.1
331.24878	4.6
332.12094	4.9
431.26468	0.8
432.26843	1.2
433.28079	19.2
449.21674	2.2
451.29092	8.3
492.28857	2.4
493.16864	7.0
493.21136	9.1
493.30157	17.9
494.21640	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1716
Annotation	Globularidin
Peak:m/z	Relative Intensity
59.01249	15.9
63.23702	0.8
64.74429	0.8
69.75140	0.8
71.01248	5.7
71.58337	0.9
71.58698	1.2
73.02821	2.7
78.95767	0.8
81.03325	1.7
83.01293	0.9
85.02837	2.6
87.00741	1.3
89.02321	3.3
91.05431	1.9
93.03359	2.7
101.02334	2.9
107.04935	0.9
108.02032	4.4
109.02865	10.6
113.02351	2.0
119.03398	0.9
121.02840	6.7
122.03624	1.1
123.00861	1.0
123.04404	7.7
124.01545	6.2
125.02346	10.9
133.02808	1.8
134.03604	1.1
135.04427	15.1
137.02357	11.3
137.05945	2.0
147.04431	2.8
148.05217	2.9
149.02350	12.2
149.05949	2.2
150.02792	5.4
151.03915	70.7
152.04286	3.0
160.05167	2.1
161.02310	1.2
163.03920	5.1
163.07562	3.9
164.04689	2.1
165.05544	1.1
167.07027	1.2
168.04187	1.2
173.04436	1.9
175.03912	1.2
175.07515	5.0
179.07211	0.8
183.06494	2.0
191.05525	3.0
191.07091	1.9
193.08640	10.6
195.06583	2.9
198.06844	1.7
199.07581	100.0
200.07863	5.0
209.08199	1.8
221.07993	1.2
233.06685	1.0
240.07925	1.0
273.02362	1.2
281.08542	1.2
293.08798	1.6
299.09454	1.0
313.10440	2.6
329.10226	1.5
330.10809	3.0
331.11868	50.0
331.24857	1.7
332.12259	4.5
373.13214	1.4
417.02643	1.0
433.27664	1.1
450.27933	1.7
451.28632	1.1
492.28973	1.8
493.17093	28.2
493.29764	7.8
494.17468	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.9
63.23702	0.8
64.74429	0.8
69.75140	0.8
71.01248	5.7
71.58337	0.9
71.58698	1.2
73.02821	2.7
78.95767	0.8
81.03325	1.7
83.01293	0.9
85.02837	2.6
87.00741	1.3
89.02321	3.3
91.05431	1.9
93.03359	2.7
101.02334	2.9
107.04935	0.9
108.02032	4.4
109.02865	10.6
113.02351	2.0
119.03398	0.9
121.02840	6.7
122.03624	1.1
123.00861	1.0
123.04404	7.7
124.01545	6.2
125.02346	10.9
133.02808	1.8
134.03604	1.1
135.04427	15.1
137.02357	11.3
137.05945	2.0
147.04431	2.8
148.05217	2.9
149.02350	12.2
149.05949	2.2
150.02792	5.4
151.03915	70.7
152.04286	3.0
160.05167	2.1
161.02310	1.2
163.03920	5.1
163.07562	3.9
164.04689	2.1
165.05544	1.1
167.07027	1.2
168.04187	1.2
173.04436	1.9
175.03912	1.2
175.07515	5.0
179.07211	0.8
183.06494	2.0
191.05525	3.0
191.07091	1.9
193.08640	10.6
195.06583	2.9
198.06844	1.7
199.07581	100.0
200.07863	5.0
209.08199	1.8
221.07993	1.2
233.06685	1.0
240.07925	1.0
273.02362	1.2
281.08542	1.2
293.08798	1.6
299.09454	1.0
313.10440	2.6
329.10226	1.5
330.10809	3.0
331.11868	50.0
331.24857	1.7
332.12259	4.5
373.13214	1.4
417.02643	1.0
433.27664	1.1
450.27933	1.7
451.28632	1.1
492.28973	1.8
493.17093	28.2
493.29764	7.8
494.17468	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1714
Annotation	Globularidin
Peak:m/z	Relative Intensity
57.03322	1.1
59.01253	22.6
65.03834	1.8
71.01257	6.4
71.58851	0.8
73.02818	3.4
75.55025	0.5
78.95830	0.5
81.03333	1.4
83.01262	1.0
84.66095	0.5
85.02814	3.5
89.02339	1.8
91.05406	1.9
93.03364	1.6
95.01219	0.7
95.04882	0.8
97.02853	0.7
101.02323	4.4
103.48244	0.6
107.04917	1.5
109.02842	27.4
110.03184	1.3
113.02343	2.9
119.04896	0.7
121.02862	5.1
122.03637	1.2
123.04417	11.8
124.01560	5.1
125.02348	12.5
133.02856	1.1
134.03642	0.6
135.04425	19.6
136.01590	0.6
136.04774	1.3
137.02356	12.4
137.05978	1.1
138.03111	1.3
145.02898	0.7
147.04391	2.6
148.05219	3.5
149.02335	2.8
149.05960	1.9
150.03146	9.2
151.03920	100.0
152.04292	3.4
153.01839	0.6
159.04388	0.8
160.05196	1.9
161.02292	1.0
161.04507	1.4
163.03889	5.0
163.07600	4.2
164.04683	2.3
165.05484	1.0
167.03441	0.8
167.07088	1.9
168.04153	0.6
173.02373	0.5
175.03926	1.3
175.07559	4.8
176.04683	2.0
177.05438	0.9
180.04131	0.8
181.04988	1.1
183.06606	1.2
191.05551	2.0
191.07109	2.4
193.05002	0.6
193.08646	13.3
194.05724	2.2
194.08910	0.9
195.06575	4.7
209.08116	3.6
221.08167	1.2
268.07416	0.8
280.07608	0.7
288.09616	0.6
298.08337	0.7
301.11212	0.8
307.95834	0.6
313.10397	3.7
330.10962	1.2
331.11865	72.0
332.12177	5.6
433.28082	7.1
451.29178	2.1
478.55966	0.6
493.17239	8.2
493.30313	7.1
494.17651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.7
57.03318	0.7
58.00474	0.4
59.01250	15.7
60.01577	1.0
64.00495	0.4
67.17172	0.3
67.97766	0.3
71.00896	0.5
71.01258	6.4
71.58342	0.5
72.00779	3.3
72.99176	0.8
73.02814	2.2
74.02346	100.0
74.99794	0.3
75.00727	0.4
75.02675	0.8
75.74702	0.3
83.01257	1.6
83.04911	0.5
85.02832	3.7
86.99683	0.4
87.00768	1.0
87.04390	0.4
89.02316	1.1
90.53352	0.4
93.03346	1.6
95.01262	0.5
95.12585	0.3
99.00777	0.8
101.02330	5.7
109.02841	7.6
111.00750	0.4
111.04409	0.4
113.02315	2.2
116.87421	0.3
119.03449	0.8
119.04902	0.9
120.05238	0.5
123.04418	0.8
125.02337	0.6
133.02847	0.6
135.04407	1.8
137.02370	0.5
147.39185	0.4
151.03909	3.8
152.00964	0.4
153.01843	0.4
161.04466	0.9
163.03929	1.3
165.00279	0.4
173.04472	2.3
191.05542	4.5
198.00502	0.4
236.46153	0.3
242.25407	0.4
248.06087	0.4
256.67010	0.3
331.11951	3.4
417.28534	0.7
432.27069	0.5
433.28082	0.5
451.28806	0.6
474.30780	1.0
491.68576	0.6
492.31827	75.6
493.16666	0.5
493.32095	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2732
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
56.96510	0.4
59.01248	2.5
71.01270	0.4
71.06078	0.8
78.95778	100.0
93.03331	0.5
96.96844	7.0
102.17339	0.4
113.09643	0.7
135.04396	0.7
135.12170	0.4
140.01086	1.2
152.99489	17.7
171.00565	16.9
173.04430	0.5
179.14360	0.8
191.05553	1.5
195.13840	7.3
196.03748	0.7
196.14200	0.5
214.04793	2.0
219.10226	0.5
260.91849	0.4
277.21768	5.8
278.22043	0.6
286.52774	0.5
295.22791	50.6
296.23120	5.1
309.29990	0.4
418.23819	2.0
427.08231	0.4
463.13095	0.4
492.27328	66.9
493.27667	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13867	0.2
55.01753	0.4
59.01254	4.6
63.77599	0.2
69.36731	1.9
69.74413	0.2
71.01255	4.2
73.02829	1.0
78.95787	0.5
83.01266	0.6
83.76098	0.2
85.02819	1.2
87.00766	0.4
89.02316	3.4
96.95891	0.4
98.19808	0.4
101.02319	3.9
103.03915	0.3
108.81001	0.2
113.02342	1.9
119.03396	1.1
122.02559	0.2
133.04973	0.4
140.94188	0.3
143.03394	0.4
161.04469	1.7
161.38556	0.2
173.51643	0.3
179.05582	0.5
199.13327	0.3
235.08162	0.9
253.09264	11.9
254.09509	0.8
255.23267	100.0
256.23627	8.7
256.26321	0.4
291.19547	0.3
484.57443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78061	1.5
59.01249	4.2
69.80994	1.3
70.77021	1.5
71.57178	1.9
71.57554	1.7
78.95794	4.3
97.06475	1.7
111.08073	1.5
113.84515	1.7
121.10094	8.2
123.07958	2.0
125.09620	5.3
125.43970	1.6
127.11162	1.8
137.09592	8.1
152.99451	4.1
153.81142	1.4
155.10681	100.0
156.11066	3.7
158.50047	1.6
162.06735	3.7
171.10175	21.9
177.09146	2.0
181.08617	1.8
185.11774	11.7
197.11809	2.1
199.09677	52.0
199.13322	11.2
200.09988	2.8
211.13338	2.3
217.10753	92.9
218.11113	5.5
273.18643	2.0
291.19669	65.9
292.19977	8.1
304.07593	1.5
308.69684	1.9
309.20670	1.8
458.75827	1.6
473.29459	2.5
491.29752	17.0
492.30569	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78367	0.4
55.01755	1.5
57.03326	1.7
58.00471	0.6
59.01254	100.0
60.01589	1.0
69.03336	0.9
69.26332	0.4
69.46381	3.5
71.01259	16.5
72.01582	0.4
72.99196	0.8
73.02818	7.6
75.00755	1.1
83.01268	4.1
84.17607	0.3
85.02830	8.6
86.00021	0.5
87.00782	1.7
89.02334	3.5
93.03356	1.1
95.01279	1.7
97.02834	0.6
99.00750	2.0
99.04426	0.8
101.02327	12.9
102.02605	0.4
111.00790	1.0
113.02339	9.5
115.03915	0.4
117.05476	1.8
119.03405	1.3
125.02358	1.3
131.03453	0.4
135.04436	1.4
137.02461	0.5
141.01874	0.4
143.03403	2.4
149.02405	0.5
150.03314	0.5
152.01108	0.4
153.09146	0.6
159.02939	1.0
161.02359	0.6
161.04468	4.6
162.94232	0.4
163.03979	0.5
173.04478	0.9
176.03732	0.4
179.03410	0.4
186.46092	0.4
191.05534	3.0
192.33000	0.4
201.12773	0.8
209.15457	0.7
229.01331	0.8
245.11734	0.5
251.20259	0.5
251.79243	0.4
262.42349	0.4
269.17673	1.0
269.21536	0.5
287.22302	3.0
329.14310	0.6
329.23254	0.6
371.20651	0.7
383.07721	0.6
389.22079	0.5
395.24615	0.6
413.25775	1.7
426.11514	0.4
431.26651	19.7
432.26904	3.0
449.27609	12.9
450.28268	1.5
491.10559	0.5
491.24612	1.1
491.29871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.7
57.03314	1.4
58.00461	0.9
58.39996	0.3
59.01252	40.3
60.01591	0.8
60.69540	0.3
61.94916	0.4
66.56282	0.4
69.03338	1.7
71.01255	15.5
72.99181	1.5
73.02818	4.5
74.07140	0.4
75.00739	1.0
81.03329	0.7
81.11194	0.3
81.60304	0.3
83.01252	2.7
84.21133	0.3
85.02326	0.3
85.02824	7.4
85.99988	0.7
86.04285	0.4
87.00766	3.3
89.02316	1.9
93.03331	1.5
95.01265	1.4
95.04872	0.4
97.02838	1.0
99.00759	1.7
101.02320	7.8
108.02052	0.8
109.02862	0.9
111.00751	1.0
112.01529	0.9
113.02327	4.0
113.09610	0.8
119.03361	0.6
123.04372	0.4
124.01564	1.7
125.02361	2.4
127.11172	0.6
132.64270	0.4
133.02867	0.6
135.04393	1.7
136.04732	0.4
137.02328	0.8
141.01816	0.4
143.03397	0.7
149.06009	0.4
152.01129	0.5
161.04485	0.5
173.04472	1.5
175.03899	0.5
179.03345	0.4
185.57718	0.4
191.05536	5.7
192.05829	0.6
199.07542	0.6
209.11758	0.4
227.10739	0.5
241.21655	1.0
243.06544	0.9
269.21286	2.1
285.20724	0.5
287.04712	0.4
287.13907	1.2
287.22284	30.3
288.22656	2.6
293.04663	0.5
299.22214	0.8
301.23547	0.6
305.73590	0.4
329.23184	2.2
365.14426	0.4
413.25223	0.5
426.42151	0.4
431.26514	19.8
432.26901	2.9
449.27551	42.5
450.27930	5.3
473.27356	0.5
491.28607	100.0
492.28925	14.6
492.36169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36040	0.4
55.01748	1.4
56.94219	0.4
57.03322	3.0
57.33467	0.3
58.00460	0.9
59.01251	45.7
60.72097	0.3
67.01752	0.4
68.99688	0.4
69.03313	0.9
69.38381	1.1
69.38795	2.3
71.01252	17.0
71.04855	0.6
72.99168	1.3
73.02821	6.8
75.00729	0.6
83.01251	4.7
85.02821	10.1
85.99981	1.1
87.00767	2.2
89.02328	2.9
93.03310	0.9
95.01246	1.5
97.02836	0.9
99.00734	2.3
101.02317	13.1
109.02815	1.1
111.00778	0.9
113.02325	5.8
118.97964	0.9
119.03386	0.4
125.02319	1.2
129.01843	0.6
133.02821	0.6
135.04411	1.8
137.02328	0.9
143.03394	0.9
145.13788	0.4
159.02888	0.7
161.02444	0.5
161.04465	1.8
166.90213	0.4
173.04448	0.8
177.01958	0.4
191.05511	1.5
192.05711	0.5
223.20552	1.3
227.07019	0.4
239.20103	1.3
241.21707	1.2
251.20135	0.5
269.21182	3.5
286.04376	0.5
287.22278	5.8
288.22696	0.5
311.22174	0.8
329.23187	0.5
366.22995	0.4
413.25690	2.0
431.26477	21.3
432.26804	2.1
449.21118	0.9
449.27515	22.4
450.27911	2.5
491.28586	100.0
492.28986	14.2
515.37878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46117	0.4
55.01739	0.6
59.01252	100.0
60.01594	0.6
61.98709	0.9
68.59356	0.4
69.50576	2.6
69.50993	1.6
71.01260	6.1
71.04851	0.5
72.99215	0.8
73.02821	3.4
75.00763	2.1
83.01266	1.5
85.02827	3.2
87.00732	0.9
89.02327	2.8
93.03378	1.0
95.01284	0.7
97.47337	0.5
99.00754	1.0
99.04391	1.0
101.02332	4.8
107.04909	0.7
109.02856	1.2
111.95139	0.5
113.02326	3.0
115.25108	0.5
117.06971	0.5
119.03387	1.2
121.02850	0.6
125.02396	0.6
133.06512	4.8
135.04405	5.6
137.05966	0.7
145.06479	5.1
147.04419	2.1
149.02376	1.8
153.01823	0.6
153.50244	0.5
159.02971	0.6
161.02484	0.9
161.04654	0.8
161.06024	4.3
163.07544	10.6
164.07892	0.6
165.05479	10.5
173.04524	1.3
173.05884	0.5
177.01871	0.6
179.03444	0.8
179.05673	0.6
179.07040	2.5
191.05602	1.9
221.67982	0.6
227.03571	0.9
228.03802	1.3
229.03978	0.9
232.09747	0.5
255.03087	1.9
256.03409	1.4
257.03647	1.6
267.06494	0.8
284.03217	1.5
285.03897	3.3
285.07376	0.9
286.04092	4.1
287.04449	3.6
311.05728	0.9
329.10370	0.8
329.13846	6.4
330.14191	0.5
371.20526	1.0
389.22119	1.8
391.23322	0.6
401.59912	0.5
431.22586	1.3
431.27374	1.0
473.27628	0.9
491.11328	4.2
491.18967	1.2
491.25467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.1
64.25852	1.1
66.51510	1.0
67.23881	1.0
69.63897	7.2
70.74218	1.1
71.01251	6.6
72.99186	0.9
73.02822	4.5
78.95784	7.4
82.57027	1.1
87.00740	1.8
89.02319	23.0
90.17322	1.1
96.96844	3.1
103.03888	2.8
105.67298	1.0
110.98397	3.0
126.03040	1.0
131.03369	1.7
133.53035	1.1
140.85464	1.2
149.04459	100.0
150.04808	2.1
153.05676	1.1
153.31525	1.0
239.05696	1.3
352.13998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.0
58.00463	2.4
59.01252	100.0
60.01587	1.7
65.00201	1.0
69.39265	1.2
69.39454	1.5
69.39864	8.1
71.01259	32.6
72.99197	2.3
73.02826	1.2
83.01264	1.8
85.02831	5.5
87.00746	1.4
89.02320	41.2
90.02669	1.0
91.55018	0.8
95.01271	3.0
99.04400	5.6
101.02322	16.0
107.01298	2.6
113.02347	13.0
119.03400	20.4
125.02296	1.0
131.03406	1.5
135.04431	6.6
143.03391	4.6
149.04430	1.8
151.00301	7.9
157.26782	0.9
161.04422	3.9
179.05528	17.6
180.03937	0.9
207.13844	79.3
208.14139	4.5
225.14955	3.1
251.12862	32.4
252.13229	2.4
263.10614	1.0
269.13950	2.3
287.05649	11.3
311.15024	17.9
318.12537	0.9
329.16266	2.0
387.20197	17.8
388.20547	1.9
412.63541	1.0
431.18915	8.4
454.93475	1.0
491.10178	1.1
491.21249	15.7
492.21539	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.2
59.01249	100.0
60.01575	0.9
71.01254	5.3
73.02836	1.9
79.20771	0.4
83.01270	1.4
85.02830	2.6
85.99992	0.5
89.02306	0.8
93.03350	3.8
95.01251	2.0
97.02827	0.6
98.20554	1.0
99.00738	0.8
101.02312	3.4
107.33032	0.4
108.02043	2.6
109.02847	1.0
111.00713	0.6
113.02343	1.9
121.02838	2.3
125.02377	0.9
135.04411	1.7
136.01573	3.1
137.02354	3.4
139.81355	0.4
161.04497	0.8
173.04482	0.6
191.05495	2.0
211.16975	1.0
223.75954	0.6
227.07085	28.8
228.07370	2.6
266.36920	0.4
269.21271	1.1
281.06595	0.7
287.22156	1.1
299.12796	0.5
346.30429	0.6
431.26273	4.4
449.27499	3.0
455.15347	0.4
473.26996	0.5
490.34402	0.6
491.10257	0.5
491.28598	19.0
492.28860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.12
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01758	0.8
57.03326	5.6
59.01253	72.1
60.01579	3.7
61.01673	1.7
63.02262	1.6
63.61681	0.8
65.00208	3.7
67.01768	1.2
69.03315	5.2
69.50134	1.9
69.50534	6.2
71.01252	12.7
72.99178	1.6
73.02819	3.8
74.36951	0.7
78.89342	0.9
81.03314	4.0
83.01266	6.7
85.02818	4.7
86.76733	0.8
87.00750	2.0
87.30390	0.7
89.02318	8.5
89.87178	0.8
93.03346	7.2
95.01273	3.6
97.02842	1.1
98.20663	0.9
99.00770	1.3
99.04380	1.1
101.02325	7.0
107.01273	4.9
107.04934	0.8
109.02857	3.7
111.00773	1.3
113.02341	5.2
115.04040	0.9
115.92048	1.1
119.03368	2.4
119.04948	1.5
121.02837	2.6
123.00750	2.4
123.04437	2.0
124.01553	2.4
125.02344	47.8
126.43640	0.8
131.01227	1.0
131.03363	1.0
133.02843	2.6
135.00842	0.9
135.04420	2.4
137.02333	3.4
139.03934	1.8
149.02321	6.0
149.04539	0.9
149.05988	0.8
151.00278	16.9
151.03923	0.9
152.01074	5.2
152.07063	1.0
153.01826	6.6
157.06581	1.1
158.03629	1.1
159.04417	1.4
161.02361	1.3
161.04489	3.6
165.01852	1.6
166.99791	4.1
167.03471	1.6
168.00557	1.3
169.01318	2.4
172.05209	3.5
173.04585	1.3
173.05972	8.8
174.06447	0.7
175.00253	1.4
175.03894	2.3
177.05519	3.4
178.99806	14.3
179.03325	1.3
179.05460	1.1
181.01283	1.9
187.07658	1.1
191.05618	3.7
199.03821	0.9
199.07645	1.0
200.04669	1.1
201.05518	3.0
215.07095	14.0
227.03448	1.3
228.03723	1.2
229.03751	0.7
241.04987	2.2
243.06664	6.2
255.03053	3.2
255.06519	1.4
256.03281	1.8
257.03546	1.8
259.06104	100.0
260.06430	5.8
263.83145	0.8
267.06805	1.1
269.04538	1.3
271.05872	0.8
273.07709	1.6
283.06125	15.7
284.03247	3.0
284.06235	1.3
285.03900	5.4
286.04022	4.4
287.05621	45.9
288.05902	3.4
299.01904	1.4
301.07144	9.0
308.02570	1.8
311.05579	1.4
313.07162	1.9
329.06696	1.6
329.10394	0.9
357.14539	1.6
383.06296	0.9
385.08618	0.7
389.05185	1.8
431.22821	2.9
445.11954	0.8
449.24399	0.9
463.12460	10.8
464.12863	1.2
491.11465	5.9
492.11490	2.4
499.19284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1208
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01755	0.7
57.03334	0.8
58.00475	0.6
59.01252	100.0
60.01583	6.5
61.01677	1.8
63.02270	0.5
65.00197	6.1
69.80540	2.2
71.01254	8.4
72.99189	0.7
73.02824	2.6
73.86107	0.5
79.05417	1.6
80.90788	0.5
83.01262	4.0
83.04891	0.5
85.02827	3.2
87.00772	1.2
89.02318	4.6
90.83565	0.5
91.05427	2.2
91.70753	0.5
93.03352	1.4
95.01267	0.9
96.95870	0.6
99.00781	0.9
99.04395	0.7
101.02340	5.1
105.03335	2.9
107.00551	0.7
107.01265	10.3
109.02838	5.4
112.64121	0.5
113.02316	3.5
117.03455	0.6
118.98020	0.6
119.03384	2.8
121.02859	1.1
123.04417	35.0
125.02341	2.6
125.42915	0.5
131.01273	0.7
133.02859	1.7
134.03667	0.9
135.04416	54.3
136.04770	2.0
137.02350	1.0
139.29228	0.5
143.03421	0.5
149.02414	2.2
149.09668	0.5
151.00279	48.5
152.00710	1.1
153.01859	4.6
161.02364	21.6
161.04532	1.6
162.02823	0.7
162.04802	0.5
165.01929	0.5
167.03426	12.6
169.01334	1.0
173.04643	0.7
175.00293	3.7
175.03979	0.8
179.05569	1.5
190.05443	0.5
191.05556	1.4
193.01372	0.9
207.13852	6.7
225.14899	0.8
251.12891	2.9
255.02991	0.7
257.04086	0.5
267.06644	1.4
284.03259	0.8
285.04419	1.0
285.07785	3.8
286.04160	1.4
287.05621	46.3
288.06003	3.0
311.15088	0.7
329.06696	1.1
329.16089	1.0
355.06799	0.7
387.20407	1.4
400.01843	0.5
431.18549	0.8
449.23846	0.7
488.78125	0.6
490.30258	2.6
491.11670	7.5
491.24393	1.5
491.30167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.15939	0.5
57.03304	1.0
59.01249	35.9
60.01590	1.0
63.02267	2.5
65.00191	12.6
69.51031	4.6
71.01258	7.1
72.99181	1.2
73.02812	6.0
75.00740	0.6
83.01249	8.0
85.02831	3.9
87.00755	1.4
89.02335	2.3
93.03351	1.4
94.07352	0.5
95.01264	0.9
97.58282	0.5
99.00725	1.1
99.04388	0.8
101.02328	4.5
107.01274	20.8
107.04952	0.7
107.22671	0.5
108.02077	1.1
109.02885	2.6
113.02312	4.0
116.79815	0.5
119.03454	1.0
119.04930	1.7
125.02338	4.9
133.02859	0.6
134.03668	0.8
135.04411	85.3
136.04761	3.2
137.06137	0.6
143.03378	0.7
151.00273	100.0
152.00565	2.8
153.01842	2.0
161.02336	1.8
161.04478	1.9
165.01779	0.8
166.99873	1.1
169.01306	2.9
173.04504	1.3
177.01880	0.6
181.01292	0.5
191.05519	3.8
196.00102	0.7
199.07559	1.1
227.03662	0.6
235.10165	0.6
235.13290	0.7
236.13733	0.9
255.03056	0.8
257.03580	1.1
284.03235	0.7
285.03955	2.1
286.04300	2.2
287.05615	78.4
288.05969	4.3
309.17148	1.8
310.17419	4.5
311.17709	1.7
311.81677	0.6
329.23315	0.7
339.11072	1.2
345.08768	0.6
388.60052	0.6
431.09604	1.2
431.26862	3.2
449.11008	0.6
449.27661	1.6
470.25571	0.7
490.23907	2.4
491.11826	17.7
491.23666	2.0
491.29123	2.0
492.12042	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73274	0.3
54.63376	0.3
57.03310	0.5
59.01236	0.7
69.03326	0.4
70.65560	0.3
71.06742	0.5
71.07064	0.6
71.21152	0.3
72.99184	0.6
78.87768	0.3
78.95778	4.2
83.04862	0.3
94.38971	0.3
97.06461	0.6
101.17900	0.3
109.06464	0.4
125.09596	0.4
131.36220	0.3
139.11176	2.9
140.01045	1.1
153.12697	1.1
172.07661	0.3
191.05531	0.8
191.17998	3.3
196.03677	1.5
213.14850	0.3
224.14183	0.7
243.11218	0.3
245.19016	0.6
247.20631	2.6
256.03192	0.6
275.20337	0.6
285.03989	0.3
291.19659	0.7
293.21210	100.0
294.21518	10.9
490.25769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09674	1.0
53.36551	1.0
53.73336	1.2
59.01255	11.0
64.34593	1.0
67.01772	1.3
69.03315	1.1
70.15388	3.0
70.15810	2.3
71.01243	2.5
76.20183	1.1
78.95776	37.1
85.02808	1.7
85.44689	1.1
87.00751	1.2
93.03329	5.5
96.96837	1.9
98.20480	1.0
109.02821	1.4
111.04406	1.1
118.74787	1.0
127.04025	1.1
134.03654	2.1
135.04385	3.6
140.01065	6.4
152.99495	6.5
171.00554	5.7
173.04507	5.2
191.05553	14.3
192.05870	3.8
195.13777	7.3
196.03735	2.3
211.13341	1.2
214.04710	5.4
223.13329	6.5
225.38672	1.1
256.03275	2.3
256.13202	1.8
275.20114	5.8
284.03125	1.4
285.03864	3.7
286.04312	3.2
293.21231	100.0
294.21558	9.4
297.28619	1.0
490.18988	1.4
490.25690	34.8
490.32794	1.7
491.25879	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74152	0.3
55.01778	0.4
57.03337	0.5
57.47529	0.3
59.01252	100.0
60.01585	1.1
69.45872	3.1
70.15848	0.4
71.01255	5.6
72.99179	0.7
73.02827	1.7
75.00767	0.8
83.01267	1.6
85.02821	3.6
87.00755	0.9
89.02348	1.0
93.03358	1.4
95.01284	0.8
97.02881	0.4
98.20539	0.5
101.02322	3.4
109.02850	0.4
113.02332	1.8
113.05983	1.2
119.04935	0.5
125.02391	0.4
128.34149	0.3
135.04456	1.2
161.04538	0.5
171.13840	1.3
173.04443	1.7
191.05554	5.6
192.05952	0.4
227.03409	2.5
229.05096	0.8
255.02968	3.9
255.05116	0.4
255.10060	0.4
256.03366	0.5
257.04523	0.7
284.03293	6.0
285.03983	6.0
285.20700	3.2
286.04538	1.0
297.11371	0.7
327.21710	0.6
331.76538	0.4
429.24927	17.1
430.25031	2.7
447.25964	13.6
448.26453	2.0
471.26114	0.4
489.10806	1.8
489.27075	9.3
490.10861	0.5
490.27478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04871	0.4
53.33009	0.3
57.03330	0.4
57.39152	0.3
59.01253	100.0
60.01584	1.1
66.30989	0.3
66.56085	0.3
67.79802	0.3
69.34094	2.9
71.01266	3.5
73.02831	0.9
78.79496	0.3
83.01269	1.0
85.02811	2.3
87.00776	0.6
89.02327	0.7
93.03351	0.4
101.02328	2.0
108.56483	0.3
109.02886	0.4
113.02352	1.3
113.05964	0.6
135.04401	0.5
157.70290	0.3
159.04240	0.3
161.04492	0.5
171.13863	1.0
173.04704	0.4
191.05579	1.4
227.03439	1.8
255.02998	2.9
256.03683	0.4
284.03241	3.5
285.04034	4.3
285.20874	0.9
286.04440	0.7
309.17398	0.5
316.79251	0.4
327.21860	0.8
375.08444	0.4
401.45151	0.4
429.24924	13.0
430.25360	1.7
447.26022	5.2
448.26593	0.7
489.10574	1.4
489.27142	3.9
490.27502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28151	3.7
59.01256	49.6
61.00936	3.9
67.01755	11.6
70.87364	6.5
71.01247	20.4
73.02808	3.8
77.11871	3.2
78.95789	46.6
85.02842	7.5
87.00755	12.4
89.02321	11.6
93.03346	89.2
96.96838	4.5
103.37992	3.3
109.02867	7.6
111.04408	10.4
113.02322	7.5
134.03650	16.3
135.04448	17.2
137.02356	6.8
146.05334	3.3
152.99518	9.8
155.03429	6.2
158.25981	3.3
164.00966	3.9
171.00514	9.9
171.10210	4.4
173.04486	100.0
191.05498	16.6
194.34164	4.2
227.03482	15.4
229.05011	5.7
255.02953	30.2
284.03241	45.7
285.03903	39.8
286.04443	5.8
309.20663	4.1
315.12421	6.9
392.18619	4.6
407.17432	5.5
489.10580	11.7
489.17636	22.5
490.18851	6.3
490.25546	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02611	0.4
57.03325	0.7
58.02856	0.5
59.01250	100.0
60.01584	1.4
64.76736	0.3
69.61256	1.9
69.61666	1.0
71.01257	5.5
72.99182	0.7
73.02814	3.4
75.00764	0.7
79.61301	0.4
80.42347	0.4
81.13025	0.4
83.01250	0.9
83.65582	0.4
85.02846	1.7
87.00745	0.8
89.02316	3.0
93.03339	0.9
94.06573	0.4
96.95882	0.4
98.19889	0.9
99.00756	0.8
99.04411	0.6
101.02319	6.3
102.01862	0.4
109.02860	0.7
113.02325	2.6
119.03405	1.3
120.99586	0.7
121.02830	0.4
125.02351	0.6
131.03436	0.5
135.04446	0.5
137.02345	0.6
143.03427	0.9
149.04510	0.8
161.02373	0.6
161.04497	1.7
173.04445	0.8
191.05536	2.9
227.03581	2.2
250.79189	0.4
252.99881	0.4
255.02945	2.2
262.56784	0.4
281.04047	0.4
284.03375	1.2
285.03961	0.7
429.17523	0.9
489.09866	2.0
495.13422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11156	0.2
55.06185	0.2
57.03314	0.3
59.01253	100.0
60.01593	1.3
69.59993	1.9
71.01262	1.1
73.02821	0.7
76.34372	0.3
82.81186	0.2
85.02814	0.3
89.02324	0.5
98.19781	0.3
101.02353	1.1
113.02317	0.3
118.44138	0.2
126.58395	0.3
133.02879	0.2
161.04492	0.6
175.04019	0.3
175.23607	0.3
180.82387	0.3
227.03299	0.3
241.05402	0.2
255.02913	0.8
284.03287	3.2
285.04041	4.9
286.04382	0.5
369.19431	0.3
387.20468	0.8
429.21292	0.3
489.10300	3.1
490.10782	0.3
490.30780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95700	0.3
57.03319	0.4
59.01254	100.0
60.01584	1.2
62.49495	0.4
69.50164	3.2
70.41290	0.4
71.01257	3.7
73.02834	1.7
85.02828	0.9
87.00796	0.4
89.02323	1.2
93.03361	0.4
98.19825	0.8
99.00816	0.5
101.02340	2.5
104.64248	0.4
113.02351	1.6
118.98006	1.3
128.22537	0.4
137.09608	0.5
161.04498	0.8
191.05617	0.8
214.50024	0.5
225.14932	2.7
237.58269	0.3
249.33647	0.3
267.06845	0.5
308.54395	0.4
369.19174	2.8
387.20215	3.4
429.21173	1.7
445.20242	1.0
490.30206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29884	0.3
59.01254	100.0
60.01592	0.7
69.48093	2.3
71.01276	0.8
73.02814	0.4
73.16023	0.3
93.28998	0.3
120.95466	0.3
133.22273	0.3
188.67546	0.3
192.58836	0.3
296.17368	0.4
314.36621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13501	0.5
55.08295	0.5
57.03325	1.0
59.01251	100.0
60.01584	1.2
63.15663	0.6
69.36615	4.7
71.01263	2.5
73.02827	1.8
81.60726	0.5
85.02825	0.8
89.02339	1.6
93.03349	0.6
101.02362	2.3
113.02354	1.8
115.23322	0.5
121.55476	0.6
127.51675	0.6
137.02361	0.7
143.03436	0.6
149.65567	0.5
158.63058	0.5
161.04517	0.7
191.05624	0.9
240.80998	0.6
248.22348	0.6
285.04044	1.0
306.07788	1.5
429.21692	0.7
489.10794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01252	100.0
60.01586	0.6
65.57178	0.4
69.03328	0.4
69.66567	2.7
71.01258	5.2
72.35538	0.3
72.99189	0.5
73.02827	2.9
74.98988	0.9
75.00740	0.6
83.01263	0.6
83.04898	0.3
85.02837	2.2
87.00787	0.6
89.02314	2.6
93.03333	0.7
95.01279	0.4
99.00784	0.7
99.04382	0.4
101.02317	4.5
109.02895	0.4
111.00769	0.4
113.02351	2.6
118.98019	1.0
119.03407	1.0
120.99542	4.7
125.02354	0.5
131.03496	0.5
136.99088	0.6
143.03395	0.5
161.04475	1.8
173.04430	0.5
179.05646	0.6
189.12791	0.5
191.05539	4.0
207.13898	0.4
221.06676	0.3
227.03622	0.4
255.03101	0.9
267.06543	0.4
272.08902	0.4
284.03140	0.5
285.04184	0.7
399.16739	1.1
429.17252	4.1
489.11050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03327	13.6
58.00446	1.9
58.02846	2.9
59.01250	100.0
60.01587	1.2
65.14126	0.8
69.03329	3.1
69.33378	2.7
69.33800	6.8
71.01254	72.3
72.99184	3.1
73.02819	21.4
74.01618	0.9
75.00751	5.7
81.03333	2.3
83.01263	5.3
85.02821	16.0
87.00740	4.1
89.02316	77.4
90.02651	1.4
93.03345	2.1
95.01261	5.1
97.02846	4.8
99.00756	26.7
99.04396	15.1
101.02322	55.0
102.01869	4.3
102.02599	1.0
102.79205	0.8
103.03951	1.0
108.02075	2.6
109.02846	2.5
111.00782	1.7
113.02332	18.8
115.03916	2.6
119.03399	12.7
125.02313	10.2
131.03397	9.7
135.04393	1.8
137.02376	1.5
142.26450	0.9
143.03450	5.0
149.04460	41.4
150.04738	1.0
152.01047	2.1
153.01823	1.3
159.02946	1.8
160.44557	1.0
161.04468	23.0
173.04524	1.7
177.09119	7.1
177.68105	0.9
179.05547	4.8
191.05531	17.0
192.05920	1.6
195.10228	3.1
221.06686	2.6
227.03400	1.4
233.06598	5.9
238.37941	0.9
251.07697	3.2
255.02974	2.6
284.03183	2.2
285.03961	1.5
293.08820	3.8
297.04135	1.4
357.15546	17.9
442.17847	0.8
489.19894	80.5
490.20047	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.1
57.03316	1.0
58.00461	1.0
59.01249	100.0
60.01583	1.0
71.01251	22.7
71.58129	0.3
72.99185	1.3
73.02818	8.3
75.00758	0.6
83.01250	2.7
83.04918	0.7
85.02821	7.7
87.00742	2.4
89.02315	15.1
93.03334	0.6
95.01269	1.3
96.95890	0.5
97.02838	0.7
99.00773	1.9
99.04387	0.5
101.02321	16.7
102.02646	0.4
107.04889	0.3
108.02052	0.4
109.02888	0.3
111.00802	0.5
113.02331	9.9
115.00245	1.2
119.03391	6.7
120.99529	1.0
123.08037	0.6
125.02346	1.1
127.00252	0.4
131.03404	0.8
135.04387	0.5
135.08029	0.3
137.02408	0.6
139.00284	0.5
143.03384	1.2
148.06570	0.3
149.04472	0.7
151.03926	0.4
153.01801	0.4
155.25974	0.3
157.01331	0.7
157.10130	0.4
159.02904	0.7
159.04230	0.3
161.04460	3.3
163.11188	0.9
168.00517	0.3
171.08041	0.3
173.04446	0.8
175.02400	2.4
175.11212	0.5
179.05603	1.4
189.09163	0.5
189.12814	2.1
191.05534	1.7
193.12247	0.6
196.03703	0.6
203.05559	1.9
207.10179	0.6
207.13835	4.8
208.14279	0.4
211.05995	0.4
213.09096	0.5
225.14909	7.4
227.03438	0.6
237.11247	0.6
255.02995	0.9
267.12112	0.4
284.03152	0.6
285.03903	0.7
322.51379	0.3
327.12347	0.5
369.18588	0.3
379.91406	0.3
387.19885	0.6
393.15817	0.4
399.16568	16.0
400.16858	1.5
411.16385	0.4
429.17612	67.3
430.17957	8.2
489.10040	0.4
489.17740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21488	0.4
55.01754	0.7
57.03317	0.4
58.00465	0.8
59.01251	56.7
60.01585	0.9
67.01753	3.8
69.03345	0.8
69.50265	3.5
71.01254	24.0
72.01607	0.6
72.99184	1.3
73.02821	44.1
74.03165	1.0
75.00751	0.9
83.01261	11.0
85.02827	3.2
87.00743	1.1
89.02325	4.4
93.03333	22.4
94.03688	1.2
95.01264	0.7
97.02863	0.5
99.00766	0.6
99.04382	0.5
101.02322	31.9
102.02697	0.7
113.02328	5.5
117.03386	0.5
117.06976	3.0
118.24091	0.4
119.04920	100.0
120.05261	5.4
125.02338	1.2
131.03424	1.9
135.04419	3.0
143.03375	2.0
147.04425	29.7
148.04767	1.4
149.04422	1.9
155.03412	1.1
159.04396	2.5
160.05165	0.9
161.04533	5.0
161.05984	49.6
162.06346	2.5
165.05486	0.4
171.10161	1.0
173.04506	1.2
173.06020	3.4
173.80528	0.4
174.06424	0.5
185.05994	0.5
191.05589	1.8
221.06586	0.4
223.11394	0.5
227.03459	1.6
229.05121	0.7
237.05576	0.4
255.03004	4.2
256.03439	0.8
267.10257	63.2
268.10535	5.9
284.03244	6.2
285.04031	6.6
285.11481	0.4
285.20837	0.4
327.12186	0.5
327.21741	1.2
351.31473	0.4
369.11899	6.3
370.12326	0.7
429.24850	1.1
447.16452	0.4
447.26089	0.8
470.64160	0.4
489.10297	2.1
489.17578	6.4
489.26947	2.5
490.18005	1.4
490.27136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81482	0.4
51.07972	0.3
55.01750	0.8
58.00471	0.7
59.01255	62.9
59.43477	0.3
60.01597	0.9
65.03803	0.4
67.01759	4.2
69.03334	1.1
69.50101	1.1
69.50526	2.0
70.46281	0.4
71.01255	25.4
72.99193	1.0
73.02824	41.5
75.00760	1.0
83.01258	11.2
85.02830	2.8
87.00768	1.0
89.02322	4.1
93.03339	22.7
95.01279	0.8
97.02863	0.7
99.00772	0.5
101.02329	30.1
102.02670	0.7
102.04634	0.5
111.00728	0.4
113.02338	6.2
117.06986	3.7
119.04922	100.0
120.05280	4.1
125.02360	1.1
131.03429	1.9
135.04446	2.6
143.03406	1.5
147.04427	28.9
148.04774	1.5
149.04486	2.0
155.03377	1.1
159.04431	2.5
160.05191	1.1
161.04541	5.1
161.05988	50.4
162.06334	2.7
163.03922	0.7
171.10204	0.8
173.04477	1.3
173.06003	3.9
191.05571	2.9
221.06606	0.7
223.11180	0.6
227.03445	1.5
229.05020	0.6
232.81134	0.4
255.02975	3.7
256.03348	0.5
267.10269	65.8
268.10590	6.2
284.03284	4.7
285.04059	6.2
285.11124	0.5
309.16714	0.4
309.63583	0.4
327.21683	1.0
357.11865	0.8
360.54077	0.4
369.11847	5.9
370.12146	0.5
373.25903	1.9
429.25278	2.4
447.25916	1.2
489.10379	1.9
489.17593	7.2
489.26874	3.3
490.17715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.4
59.01253	17.1
67.01736	2.0
71.01248	1.8
71.38386	0.7
72.99179	0.4
73.02819	1.7
78.58542	0.4
85.02822	0.8
87.00735	0.6
89.02304	1.0
91.05392	0.4
91.31551	0.4
93.03342	11.6
96.42133	0.4
99.04364	0.4
101.02298	1.0
105.07001	0.5
107.01265	0.7
109.02909	0.5
113.02334	1.0
113.93294	0.3
117.06990	1.6
119.04918	100.0
120.05270	3.5
121.02843	0.7
133.06512	0.5
135.04422	21.4
136.04785	1.3
137.05954	0.7
138.42706	0.4
147.04422	18.9
148.04813	0.7
149.06029	2.6
153.05467	0.4
159.04440	1.5
160.05147	0.7
161.06001	44.6
162.06357	2.2
163.00284	0.4
163.03951	1.0
165.05495	85.1
166.05797	4.1
173.04552	1.0
173.06027	2.8
179.07069	13.4
189.05507	0.5
191.05524	1.9
191.07129	0.9
207.06599	1.3
216.79718	0.4
220.16826	0.4
227.03441	6.1
229.05078	1.1
255.02972	10.8
256.03635	1.1
257.04623	0.8
267.10275	9.3
268.10596	0.6
284.03259	11.5
285.04129	12.7
285.11319	48.7
286.04413	1.2
286.11642	5.1
287.84390	0.4
309.10602	0.4
309.16977	2.1
327.12234	0.7
429.15427	2.1
467.88452	0.5
489.10391	4.7
489.17545	2.0
489.24084	0.5
489.27405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43226	0.9
57.03323	50.6
58.03656	1.5
59.01244	14.3
61.47770	1.1
71.01244	4.0
71.43893	1.3
71.44227	1.3
72.99163	1.1
73.02810	1.5
75.00765	1.9
76.61269	1.0
81.03368	1.1
83.01266	1.2
85.02791	1.2
85.14535	0.9
87.00765	1.6
89.02312	2.3
91.20049	1.1
93.03335	1.4
99.04392	26.5
101.02324	10.6
109.02853	2.0
110.54690	1.0
113.02340	2.5
121.02794	1.9
122.03635	3.9
125.02345	12.9
135.04381	2.5
143.03503	1.1
149.06012	1.9
150.03116	4.2
153.01830	15.6
153.05492	6.8
156.68372	1.0
168.04201	30.4
169.04594	1.4
173.04449	1.4
175.06491	1.1
183.06554	100.0
184.06894	3.7
191.05507	1.2
227.03458	4.4
255.02972	5.6
284.03259	3.3
310.50095	1.1
315.08658	1.8
344.55719	1.0
489.09756	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1035
Annotation	CHEBI:69513
Peak:m/z	Relative Intensity
58.02844	0.7
59.01251	18.1
65.00204	0.4
71.57562	0.4
72.99155	0.3
73.02815	0.8
75.00758	0.6
75.50320	0.2
77.28873	0.2
83.01250	0.8
84.72395	0.2
85.02847	0.6
87.00725	0.5
89.02317	1.1
93.03342	0.8
99.00684	0.2
101.02319	1.7
102.01781	1.1
103.03945	0.2
107.01289	0.6
108.02040	0.3
109.02831	0.4
113.02314	0.9
116.78714	0.2
118.97974	0.3
119.03329	0.3
121.02837	0.2
123.04401	0.2
125.02331	0.7
135.00769	0.3
135.04387	0.2
149.04459	0.3
149.05997	0.2
151.00287	2.1
152.01004	0.3
153.01884	0.4
161.04482	0.7
163.00294	0.6
165.01935	0.3
167.04958	0.3
169.01332	0.6
171.04399	0.3
173.02367	0.2
173.04498	0.4
174.03154	0.7
175.03896	0.8
178.99796	0.8
179.03638	0.2
179.05411	0.4
182.03592	0.4
183.04459	2.0
185.06035	0.5
187.03836	0.6
191.05591	0.8
200.04765	0.3
203.36923	0.2
211.03954	2.4
212.04602	0.3
213.05408	0.4
217.04869	0.3
221.06450	0.3
227.03447	72.1
228.03775	4.9
229.05003	1.5
239.03476	0.5
241.05037	0.3
243.02881	0.3
255.02966	86.8
256.03525	12.4
257.04376	1.1
269.04523	0.8
283.02438	0.4
284.03256	58.7
285.03964	23.6
286.04434	2.0
297.03973	0.5
299.05301	0.4
327.05133	1.4
327.28131	0.3
429.08389	0.3
489.10370	100.0
490.10690	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1036
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03320	0.6
58.00464	0.6
59.01251	67.8
60.01586	1.1
63.02262	0.6
65.00206	0.9
68.66750	0.3
71.01254	10.6
72.99174	0.6
73.02818	2.5
83.01255	2.1
85.02816	2.6
87.00761	1.4
87.47511	0.3
89.02317	11.2
93.03334	2.3
95.01271	0.8
99.00735	0.4
99.04379	0.3
101.02325	7.0
104.02356	0.3
105.01775	0.3
107.01273	3.6
108.02053	0.6
109.02846	0.9
113.02328	5.0
117.03328	0.5
118.97951	0.4
119.03390	4.8
121.02865	0.5
125.02327	0.9
131.03403	0.5
131.04878	0.3
132.02026	2.0
135.00792	1.8
135.04388	0.5
137.02403	0.4
143.03415	1.3
143.04959	1.5
145.02847	0.7
149.04507	0.7
151.00252	3.2
152.00949	0.4
152.08302	0.4
153.01819	0.6
153.09186	0.6
157.06419	0.4
158.03716	0.4
159.04405	0.9
161.04494	1.8
163.00270	2.7
164.01033	0.8
167.03464	0.5
167.04881	0.6
168.00468	0.4
169.01437	0.7
169.06538	0.6
171.04416	0.7
172.07648	0.4
173.04506	0.6
175.03893	0.4
179.05524	5.4
183.04488	1.0
184.04897	0.4
185.02364	0.8
185.06007	1.8
187.03911	2.9
190.99883	0.5
191.05553	2.0
195.04387	0.5
196.05083	0.4
197.06004	0.9
199.03938	1.3
201.05498	0.8
210.03033	0.4
211.03909	3.4
212.04700	0.4
213.01816	0.6
213.05493	1.8
227.03448	45.8
228.03809	3.5
229.05006	9.4
230.05356	0.8
239.03452	1.9
240.04227	1.0
241.04984	1.8
243.03011	0.4
255.02965	88.0
256.03473	9.1
257.04529	5.4
258.05014	0.4
267.02930	0.6
269.32364	0.4
283.02399	1.5
284.03259	99.7
285.03995	100.0
286.04391	8.2
286.74121	0.4
292.21143	0.3
309.20724	0.4
327.05206	1.0
339.05075	0.3
348.85550	0.3
369.18362	0.5
387.20200	0.6
429.08246	1.0
429.21246	1.1
489.10342	49.4
490.10739	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01249	3.2
60.97625	0.2
63.02266	0.5
65.00189	0.7
71.45395	0.4
73.02797	0.2
83.01266	0.5
91.01764	0.4
93.03328	1.5
95.01270	0.2
105.23650	0.2
107.01260	2.3
108.02075	0.4
109.02831	0.9
117.03318	0.4
120.02063	0.2
132.02051	1.7
135.00778	2.3
137.02380	0.2
141.06952	0.2
143.04932	1.1
145.02853	0.5
151.00285	2.0
153.01883	0.3
154.04263	0.3
157.02826	0.2
157.06514	0.7
159.04417	1.2
160.04617	0.2
163.00272	2.9
164.01158	0.4
165.01842	0.3
167.04950	0.8
169.06464	0.6
171.04402	0.7
172.05133	0.2
183.04469	1.3
184.05241	0.4
185.02400	0.6
185.05991	2.5
187.03925	3.6
189.05534	0.6
190.99828	0.2
195.04457	0.6
196.05257	0.3
197.06017	0.9
198.03098	0.3
199.03937	1.4
200.04716	0.5
201.05463	0.5
211.03912	3.3
212.04591	0.3
213.01855	0.4
213.05487	1.8
214.02567	0.2
223.03915	0.4
226.33957	0.2
227.03444	33.2
228.03787	2.1
229.05000	11.1
230.05348	0.8
239.03432	2.1
240.04179	0.8
241.05060	1.3
243.03064	0.3
255.02960	65.1
256.03464	6.9
257.04517	5.7
258.04919	0.3
263.08176	0.2
267.02972	0.8
283.02457	1.6
284.03253	68.7
285.04001	100.0
286.01178	0.5
286.04361	7.7
429.08224	2.4
447.09274	0.8
489.10373	23.7
490.10751	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1039
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
51.15594	0.2
52.07164	0.2
59.01250	1.6
63.02269	0.4
65.00198	0.6
86.60494	0.3
93.03351	0.9
97.98457	0.2
98.19753	0.7
107.01292	1.6
120.02046	0.3
132.02084	1.1
135.00789	1.2
143.04953	0.4
146.87898	0.2
151.00290	1.3
153.01801	0.4
157.06500	0.4
159.04466	0.6
163.00259	1.7
164.01085	0.5
165.01799	0.3
167.05011	0.3
169.06522	0.5
171.04398	0.7
173.06053	0.3
183.04460	0.8
185.02414	0.6
185.06001	1.6
187.03928	1.7
187.05345	0.3
189.05519	0.6
195.04387	0.3
197.06024	0.5
199.03883	0.9
200.04681	0.3
211.03911	2.3
213.05508	0.9
216.96907	0.3
227.03458	24.0
228.03920	1.4
229.05009	6.9
230.05344	0.4
230.28879	0.5
239.03442	1.4
240.04160	0.5
241.05042	1.0
255.02971	50.7
256.03476	4.5
257.04480	4.7
267.02850	0.7
283.02463	0.9
284.03265	74.1
285.04016	100.0
286.04391	7.9
327.05051	0.8
489.10370	28.1
490.10678	4.5
510.74557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12088	0.8
57.03306	1.0
59.01250	100.0
59.39650	0.9
60.01605	0.9
63.60330	0.9
71.01261	6.8
71.58147	1.5
72.99194	1.5
73.02803	2.8
74.04223	0.9
78.95774	10.5
85.02825	3.3
87.00735	1.9
88.13414	1.0
89.02341	1.6
93.03344	6.3
96.16531	1.0
96.95824	1.3
96.96838	1.2
99.00801	1.3
101.02328	4.1
105.01857	1.0
109.02788	1.2
111.00754	1.3
111.04365	0.9
113.02323	2.7
125.09622	2.9
134.23093	0.9
135.04387	2.4
152.99474	2.0
161.04440	3.8
161.05699	1.2
171.00536	1.5
173.04436	3.1
187.09724	1.0
191.05518	4.1
199.13232	1.3
200.04622	2.1
219.10179	5.8
276.32495	1.0
309.20621	1.9
313.10590	1.3
325.14352	4.0
367.21106	3.7
385.22299	10.5
427.23291	3.3
487.25827	1.8
488.24026	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09970	0.4
57.03328	0.5
59.01251	100.0
60.01588	1.3
65.52827	0.4
70.86351	0.5
70.86704	1.2
71.01252	3.7
72.99194	0.5
73.02823	3.2
75.00734	3.6
83.01253	0.7
85.02846	1.2
87.00761	0.5
87.89798	0.4
89.02314	2.6
93.03366	0.6
99.04412	0.6
101.02318	3.2
101.84614	0.4
108.02013	0.4
110.02446	0.3
113.02334	2.1
119.03395	0.7
121.02877	1.1
135.04468	0.7
137.02408	0.6
153.09207	0.4
154.73819	0.4
161.04526	0.9
191.05582	1.0
205.12325	1.7
230.94502	0.4
255.06612	0.7
307.09833	0.6
307.15469	0.4
325.11047	1.4
427.19305	0.7
487.21567	1.0
487.26343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01592	1.3
69.33695	2.5
69.34122	1.7
71.01253	4.5
72.99166	0.6
73.02822	4.1
75.63188	0.4
83.01279	1.0
85.02837	1.5
89.02341	1.6
93.03346	1.3
98.20522	0.7
101.02333	4.3
102.19576	0.5
113.02347	1.6
119.04948	0.7
130.27029	0.5
135.04436	1.2
137.02318	0.5
148.64337	0.5
152.01093	0.6
163.11205	0.7
173.04492	1.3
179.44356	0.5
187.11362	0.6
191.05533	2.2
205.12314	6.7
325.10873	0.7
469.16016	0.5
487.22211	1.7
488.22574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33493	0.7
57.03324	1.7
59.01250	100.0
60.01569	0.9
69.69344	2.3
69.69764	2.1
71.01260	10.1
71.01623	1.1
72.99149	0.8
73.02817	5.1
80.56171	0.6
81.03292	0.7
83.01277	2.1
85.02832	3.0
87.00780	1.1
89.02307	3.5
93.03359	0.8
95.01271	1.4
99.00757	0.8
99.04404	1.3
101.02322	6.2
108.02032	0.8
109.02859	1.2
111.00785	0.9
113.02320	6.0
118.32286	0.7
119.03386	1.1
123.08081	1.2
135.04449	1.2
136.05159	0.7
138.06772	2.6
139.07552	1.4
146.03621	1.4
147.03995	1.0
151.07582	2.9
152.01076	1.2
152.08330	8.0
153.01833	1.3
153.05415	0.6
153.09109	19.4
153.10277	1.3
154.09486	0.8
154.97906	0.7
161.04488	2.6
161.05876	0.7
165.09192	0.8
167.03391	0.8
173.04521	0.9
179.05659	1.0
179.07146	1.8
179.10722	2.6
191.05559	2.7
205.12291	9.7
223.13356	4.3
225.51595	0.7
265.14557	1.2
367.17639	16.3
368.17966	1.5
385.18637	3.8
427.19781	5.7
443.19321	1.6
487.17630	1.2
488.29019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03328	3.5
59.01254	100.0
60.01607	1.3
69.03333	0.4
71.01254	9.3
71.45628	0.9
71.49821	0.4
73.02824	5.1
73.92255	0.3
79.64934	0.4
80.16292	0.4
83.01276	1.7
85.02834	3.4
86.73499	0.4
87.00811	0.9
89.02325	2.8
92.75645	0.4
93.03354	0.6
95.01265	0.6
97.02839	0.4
99.00805	1.2
100.27412	0.4
101.02332	5.6
108.02051	0.4
109.02850	0.8
113.02336	2.8
113.05998	1.8
119.03397	0.9
123.08066	1.3
125.02325	0.7
137.09627	1.7
138.47076	0.4
151.07635	0.7
153.09138	4.4
157.05872	0.4
161.04512	1.0
163.11241	1.1
165.09143	5.3
173.04529	0.8
175.07773	0.6
177.12811	1.8
187.11275	1.7
191.05579	1.8
193.12363	0.5
195.13896	0.6
203.05658	1.0
205.12317	3.6
206.97028	0.4
208.10950	0.6
217.33031	0.4
221.11824	0.9
223.13356	27.3
224.13734	1.9
401.18106	3.4
443.19238	16.0
444.19485	2.4
487.30542	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03328	3.5
59.01254	100.0
60.01607	1.3
69.03333	0.4
71.01254	9.3
71.45628	0.9
71.49821	0.4
73.02824	5.1
73.92255	0.3
79.64934	0.4
80.16292	0.4
83.01276	1.7
85.02834	3.4
86.73499	0.4
87.00811	0.9
89.02325	2.8
92.75645	0.4
93.03354	0.6
95.01265	0.6
97.02839	0.4
99.00805	1.2
100.27412	0.4
101.02332	5.6
108.02051	0.4
109.02850	0.8
113.02336	2.8
113.05998	1.8
119.03397	0.9
123.08066	1.3
125.02325	0.7
137.09627	1.7
138.47076	0.4
151.07635	0.7
153.09138	4.4
157.05872	0.4
161.04512	1.0
163.11241	1.1
165.09143	5.3
173.04529	0.8
175.07773	0.6
177.12811	1.8
187.11275	1.7
191.05579	1.8
193.12363	0.5
195.13896	0.6
203.05658	1.0
205.12317	3.6
206.97028	0.4
208.10950	0.6
217.33031	0.4
221.11824	0.9
223.13356	27.3
224.13734	1.9
401.18106	3.4
443.19238	16.0
444.19485	2.4
487.30542	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	97.8
61.70607	1.0
61.70915	1.1
69.03349	1.5
71.01250	10.3
71.58557	1.5
71.58953	1.4
73.02832	4.8
83.01281	1.6
83.04888	1.8
85.02824	5.9
89.02315	1.9
90.98461	1.4
93.03341	15.7
95.01314	1.3
101.02327	6.1
105.06994	3.3
107.04924	2.2
108.02055	1.5
109.02843	2.5
113.02342	3.6
116.07099	2.6
116.92743	3.7
119.04919	100.0
120.05260	3.8
121.02853	2.6
123.04498	2.0
125.02325	1.6
133.02866	1.6
135.04422	60.7
136.04744	2.5
147.04378	1.5
149.05988	32.9
161.02367	1.9
161.04648	1.7
161.05991	2.0
173.04501	4.5
175.03935	2.0
187.07619	6.7
191.05550	6.3
196.32973	1.2
199.03970	1.5
201.09169	15.7
205.08647	54.5
206.09027	4.3
219.10228	8.7
222.58836	1.3
241.04985	1.4
245.98776	1.0
255.10240	3.0
272.68359	1.2
283.09885	1.3
307.09763	8.6
307.13412	6.6
307.19348	1.4
325.10846	5.8
325.14420	68.1
326.11356	1.4
326.14664	7.5
346.63040	1.2
427.23242	5.9
443.29752	2.1
445.24359	3.5
487.19193	2.4
487.25415	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
63.97460	0.3
65.03835	1.8
71.01265	0.7
73.02783	0.3
79.05405	0.6
79.99565	0.3
91.04827	0.7
91.05407	11.8
93.03335	2.9
98.19833	0.8
107.04905	3.2
108.02047	1.9
109.02837	10.9
109.03599	0.5
109.06466	1.9
110.03204	0.3
113.02327	0.7
119.04920	0.7
121.02843	38.8
122.02980	0.4
122.03623	1.9
133.02834	0.4
133.10115	0.3
133.71490	0.3
134.03635	10.1
134.81354	0.3
135.04413	98.6
136.04745	4.0
147.04417	19.5
148.05225	6.2
152.57634	0.3
159.04430	1.1
159.11708	1.3
160.05142	0.8
166.02594	0.8
171.08028	0.5
173.04575	0.3
173.05994	0.7
174.06789	0.7
177.09126	17.6
178.09505	0.8
187.07695	0.4
189.09138	37.7
190.09503	2.3
191.05563	0.5
199.07623	0.3
203.10709	100.0
204.11050	6.5
204.12978	0.4
215.10721	9.1
216.11029	0.6
297.09973	0.4
325.14438	58.9
326.14798	6.0
465.16132	0.3
487.19724	9.6
487.26236	0.6
488.20035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75933	0.6
55.01755	1.1
57.03321	4.1
58.00464	1.0
59.01253	100.0
60.01584	0.8
69.50451	4.5
70.26670	0.6
71.01257	20.4
72.99184	1.6
73.02819	12.3
73.73792	0.6
75.00744	0.8
78.45098	0.6
83.01273	4.5
85.02825	6.7
87.00763	1.4
89.02311	7.1
93.03328	0.8
95.01267	1.1
99.00768	2.0
101.02324	17.2
110.77290	0.7
113.02341	8.9
113.05960	1.2
113.92272	0.6
119.03405	2.1
123.08053	2.5
124.39088	0.6
125.02353	0.9
126.01819	0.6
131.03398	1.0
133.42065	0.7
135.04474	0.7
135.08060	0.8
137.09618	0.8
143.03409	1.7
144.80830	0.7
149.04509	0.8
151.11218	0.8
152.01109	0.6
153.01917	1.0
153.09113	3.2
159.03036	0.7
161.04485	4.7
165.09131	2.3
173.04489	2.0
177.12762	3.3
179.05585	0.9
191.05536	3.1
195.13818	2.0
203.05524	1.1
205.12283	3.3
214.52672	0.6
221.11824	3.2
223.13333	15.7
224.13640	1.1
357.19272	1.6
367.17441	0.9
373.43292	0.7
401.18195	10.4
402.18549	1.5
443.19208	52.6
444.19586	7.0
451.33060	2.2
487.30557	52.4
488.30972	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	3.1
55.82280	2.7
57.03314	4.6
58.80990	2.8
59.01255	80.8
59.46912	2.1
63.89001	2.8
69.72804	15.3
70.43076	2.1
70.51508	2.4
71.01250	27.8
73.02800	16.5
83.01250	5.8
85.02839	16.6
89.02312	6.1
95.01249	2.6
98.20540	3.7
99.00739	4.2
99.42613	2.2
101.02325	23.6
107.24357	2.5
113.02343	15.9
123.08018	6.2
133.70567	2.3
142.38194	2.7
161.04478	2.9
175.10576	2.4
177.12704	7.3
195.13824	3.8
209.11719	4.6
221.11784	3.6
232.76936	2.8
269.14212	3.0
318.87997	2.8
325.86227	2.5
401.18170	21.6
443.19183	100.0
444.19507	13.5
480.41721	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.8
57.03323	3.7
58.00477	1.6
59.01253	78.3
69.64137	6.9
71.01261	22.6
72.99174	1.4
73.02822	16.1
78.95754	1.7
83.01270	5.2
84.02050	1.1
85.02831	13.4
87.00739	1.8
88.12591	1.2
89.02315	7.8
99.00766	3.5
101.02323	23.0
108.01997	1.1
111.22072	1.2
113.02335	8.5
119.03385	3.1
123.08051	4.6
137.65167	1.2
149.65070	1.2
161.04491	5.4
177.12842	6.2
191.05540	4.8
195.13818	2.8
205.12257	1.4
209.11786	3.2
221.11807	5.5
226.41089	1.2
251.73183	1.3
328.76941	1.2
357.19067	2.8
370.78525	1.1
383.17145	1.6
398.59399	1.4
401.18176	20.2
402.18661	2.7
443.19220	100.0
444.19614	13.3
487.19684	2.7
513.92310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1615
Annotation	Egonol glucoside
Peak:m/z	Relative Intensity
51.82232	0.5
55.01763	0.9
57.03320	0.9
59.01252	56.8
60.01574	0.6
61.98668	0.6
63.70535	0.6
65.03828	0.8
67.01746	1.1
71.01257	10.3
71.58177	1.0
72.99172	1.8
73.02825	4.1
75.00726	3.2
77.94228	0.5
79.05379	1.3
83.01255	1.3
85.02817	3.9
87.00757	1.2
89.02315	5.6
93.03338	2.8
95.01256	0.6
99.00758	1.1
101.02327	6.9
102.05482	0.6
107.04906	2.2
109.02832	1.2
113.02331	4.3
114.01763	0.5
115.05431	0.5
119.03390	2.0
121.02831	2.4
128.03445	3.1
133.02802	0.8
135.04382	1.3
137.02318	1.7
143.03430	0.8
145.02888	0.8
146.04457	0.8
152.06192	1.0
153.01878	1.2
157.02835	1.1
161.04439	1.3
161.05914	0.5
163.07562	1.3
165.07082	0.6
167.05013	0.7
168.05696	0.6
173.04482	1.7
179.03400	0.8
183.08075	1.6
189.05551	0.6
191.05551	4.4
195.04440	0.6
196.05234	3.7
197.05745	0.6
199.03940	3.1
209.06071	1.0
210.06831	7.1
211.07576	14.4
212.07869	1.5
223.07585	0.9
237.06114	2.3
247.07359	0.5
253.04910	0.8
255.06601	100.0
256.06946	8.4
263.10886	0.8
265.08682	1.8
267.06577	3.2
277.05078	0.7
283.09894	0.6
291.06799	2.7
307.09747	35.4
308.10065	4.0
325.10785	30.2
326.11035	3.3
445.24561	0.8
487.15738	3.8
487.26154	5.8
488.16083	0.8
488.25934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82599	0.2
55.01767	0.8
57.03308	0.6
59.01254	16.5
65.03826	0.6
66.97929	0.3
68.66859	0.2
71.01256	3.2
72.99180	0.6
73.02825	1.6
75.00751	0.6
78.95783	0.5
79.05389	0.9
79.84542	0.3
83.01260	0.5
85.02831	1.2
89.02309	1.6
89.03839	0.5
93.03358	0.7
95.01338	0.3
101.02328	1.8
107.04899	1.8
109.02837	0.6
110.70396	0.3
111.04398	0.4
113.02316	1.5
119.03387	0.7
121.02824	0.8
133.02823	0.4
135.04346	0.4
141.07004	0.5
144.51552	0.3
152.06204	0.7
157.02917	0.6
161.04579	0.5
167.08614	0.3
168.05687	0.5
169.06499	0.5
171.04404	0.3
173.04483	0.5
175.12114	0.3
179.03371	0.3
183.08072	1.2
187.07660	0.4
191.05544	1.6
195.04460	0.8
196.05232	2.3
197.05658	0.3
199.03903	2.3
205.12268	0.6
209.05992	0.6
210.06818	7.2
211.07594	14.4
212.07976	0.9
227.06931	0.3
237.06030	0.8
240.04420	0.5
241.04987	0.8
247.07471	0.4
255.06612	100.0
256.06952	8.0
265.08694	0.8
266.05740	0.4
267.06638	0.7
269.04419	0.3
291.06738	1.3
292.07483	0.5
307.09772	22.1
308.10117	3.0
325.10818	28.2
326.11151	3.0
358.19745	0.3
409.80713	0.3
415.43341	0.3
427.23508	0.5
445.24335	0.5
487.15796	2.1
487.25046	1.7
488.16818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13433	1.0
51.84155	0.9
53.33667	0.9
57.03328	1.8
58.02831	3.6
59.01253	43.0
60.01569	1.8
65.03805	0.8
69.03323	1.9
70.91802	2.0
70.92144	1.0
71.01257	12.4
72.99182	1.4
73.02813	4.2
75.00739	2.2
76.21483	0.9
81.03316	2.1
83.01257	1.5
83.04907	2.1
85.02808	6.1
87.00742	2.3
89.02319	7.6
91.01770	2.2
93.03345	3.9
95.01261	4.3
96.95876	2.7
98.02359	12.9
99.00763	1.3
99.01868	6.2
99.02634	1.2
99.04369	1.2
101.02320	17.1
102.01847	6.8
103.04037	1.0
108.02058	58.6
109.02850	49.3
109.06446	2.7
110.02353	1.8
110.03127	1.3
111.04411	10.2
113.02322	4.6
115.91959	4.7
119.03388	3.0
121.02867	1.6
123.00753	3.5
123.04418	2.7
125.02352	1.1
127.07530	10.9
128.03407	1.1
129.05482	12.9
133.02823	1.3
135.00729	3.7
135.04407	3.0
151.03937	1.3
151.07484	1.2
152.01060	68.5
153.01845	47.3
153.05399	2.7
153.09114	1.3
154.02209	1.8
158.12521	1.0
161.04463	3.8
163.03920	1.6
166.31880	1.1
167.03410	2.9
171.06523	2.7
173.04474	2.7
175.05125	1.1
177.05536	1.1
179.03461	1.4
179.05495	1.2
189.07523	1.4
190.94527	1.2
191.05505	9.2
223.91730	1.0
255.06601	2.5
315.07144	2.4
333.11850	1.4
357.08224	1.3
367.17603	1.1
403.00009	0.9
425.14465	5.9
425.98154	1.0
427.12387	3.7
443.15479	4.1
469.13168	4.7
470.13538	1.2
487.14572	100.0
488.14810	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91439	6.4
52.46618	7.2
59.01261	35.8
71.01254	39.4
71.57036	13.8
72.40696	6.7
89.02313	33.9
101.02319	45.9
102.05472	18.0
113.02311	12.8
115.00288	7.2
119.03366	15.7
127.05048	15.1
128.03427	24.9
130.28201	7.0
144.06578	100.0
145.01353	67.4
145.06038	90.1
145.06938	10.8
146.04514	68.4
179.05524	20.9
211.96378	8.2
239.08244	6.5
304.38788	8.0
341.11160	49.7
342.11169	54.4
446.19226	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94883	0.5
59.01247	1.1
88.03916	61.4
89.04241	1.2
114.36904	0.5
147.08072	3.4
149.09618	2.0
160.08846	0.6
161.09618	1.1
163.11186	3.7
166.41441	0.5
187.11205	2.5
206.15485	0.7
265.12375	0.7
274.87540	0.5
279.13867	1.2
280.14697	1.5
280.66992	0.5
297.49408	0.7
307.16995	1.1
309.22345	2.1
321.18820	0.8
337.21732	100.0
338.22043	15.2
486.26892	9.2
487.27139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
58.00472	1.1
59.01255	29.6
60.28437	0.5
69.41180	0.5
71.01257	24.9
71.56358	0.9
72.00757	0.7
72.99197	1.9
73.02798	1.2
75.00776	0.5
75.95168	0.5
78.95782	1.1
82.02877	1.3
83.01266	1.5
85.02822	3.5
87.00736	1.6
89.02319	31.3
90.02649	0.7
95.01290	1.2
96.04467	1.0
98.06004	2.7
99.00776	1.4
101.02325	15.7
108.04446	1.5
109.02838	0.9
111.00820	0.8
112.98690	1.0
113.02326	8.8
115.00256	1.1
119.03402	10.7
125.02340	0.8
126.01856	1.2
126.05509	7.3
127.05038	1.5
129.01817	0.5
131.03421	1.6
137.02437	0.8
141.77106	0.6
142.04979	0.9
143.03397	3.0
144.02910	2.2
144.06572	100.0
145.01346	5.6
145.04948	1.0
145.05971	6.8
145.06961	2.4
149.04446	0.6
153.49881	0.5
161.04468	4.3
179.05550	16.3
180.05869	1.0
191.05577	1.0
201.47949	0.6
316.29193	0.6
341.10886	67.2
342.11127	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01594	0.9
67.01765	0.5
71.01266	1.6
71.38473	0.5
71.38793	0.7
73.02821	0.8
75.00727	0.4
78.95817	0.5
79.95544	0.4
85.02830	1.2
89.02314	0.8
93.03332	2.7
93.10487	0.4
95.01326	0.4
96.84046	0.4
99.00757	0.5
101.02337	1.6
109.02849	0.7
113.02338	0.9
121.02881	0.5
123.04385	0.4
124.01587	0.4
135.04440	1.3
137.02310	2.8
143.03456	0.4
161.04596	0.5
173.04465	3.2
191.05635	1.4
252.48703	0.4
293.38339	0.4
323.12894	0.4
352.08160	1.5
449.14764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29643	0.3
59.01253	100.0
60.01579	1.1
70.06176	0.9
70.06567	0.8
71.01255	1.6
73.02832	0.6
77.27045	0.4
78.95786	0.6
85.02844	0.6
89.02309	0.6
93.03355	1.6
96.96831	0.6
98.20460	0.5
101.02341	1.0
109.02840	0.8
113.02323	0.8
121.02969	0.4
130.08640	0.5
135.04417	2.3
137.02386	1.2
149.04460	0.5
159.04521	0.6
161.04555	0.5
173.04469	2.1
178.10739	0.4
180.54233	0.3
191.05588	1.4
250.13377	0.4
271.30511	0.4
276.60767	0.4
293.21353	0.4
309.75992	0.4
311.10300	0.4
352.08096	0.8
368.18341	0.4
485.27695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52693	0.3
59.01252	100.0
60.01600	0.6
71.01254	1.4
71.49367	0.3
71.51920	0.4
73.02816	0.4
80.26749	0.3
85.02849	0.6
87.00762	0.4
93.03359	1.6
93.59660	0.3
101.02338	0.7
109.02858	1.3
110.21985	0.4
119.04924	2.0
121.02848	2.9
135.04420	1.3
137.02367	0.8
137.12044	0.4
146.47141	0.4
159.04477	0.6
173.04507	2.2
177.03313	0.4
178.02669	0.5
187.04004	0.4
187.07620	0.5
191.05582	1.3
217.08705	0.4
221.08286	0.4
222.32874	0.4
226.06296	0.5
255.10347	1.0
268.07544	0.4
323.12665	1.7
471.81229	0.4
485.18451	0.9
485.25021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37591	0.4
55.01751	0.9
57.03316	0.7
58.00463	0.6
59.01250	46.2
67.01760	0.5
69.03325	0.8
69.39621	4.2
71.01256	12.3
71.04871	0.6
72.87536	0.4
72.99196	0.9
73.02824	9.1
83.01250	2.6
83.56665	0.4
83.82412	0.5
85.02818	4.4
87.00780	1.3
89.02317	3.7
93.03338	4.4
95.01263	0.8
97.02822	0.6
99.00755	4.0
101.02315	9.0
108.02070	0.7
109.02842	2.9
111.04400	0.5
113.02322	7.3
115.03907	0.4
119.03438	0.9
119.04913	7.2
121.02845	0.6
125.02351	1.3
126.35793	0.4
130.08627	0.4
132.42055	0.5
133.02888	0.8
135.04424	1.7
137.02332	3.9
139.03889	0.4
143.03403	1.4
147.04427	1.0
148.05188	0.6
149.09624	100.0
150.09964	5.4
151.03891	1.0
153.01785	0.6
159.04395	0.9
159.08148	0.9
161.02376	0.7
161.04468	5.0
163.03932	0.9
173.04587	3.0
173.05898	0.8
175.03918	0.8
176.03845	0.5
179.03430	0.9
187.03914	0.7
187.07515	0.6
191.05550	2.6
197.05959	0.4
203.07040	1.0
217.08569	0.6
221.08211	2.6
221.11703	1.1
221.15417	1.4
249.15045	0.9
251.05731	0.5
255.10272	1.3
263.16510	8.0
264.16833	0.8
281.14050	0.7
311.14929	0.6
318.21155	0.5
323.09232	0.8
323.12778	6.5
353.16074	1.3
383.16934	0.7
397.17194	0.5
425.17468	0.6
425.22461	0.6
443.19031	10.9
443.24399	0.7
444.19513	1.0
449.14557	0.7
467.22781	0.6
485.19516	4.5
485.24136	7.8
486.24924	0.9
488.70798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2029
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
51.05655	0.4
57.03323	1.6
59.01250	7.9
65.03842	1.1
67.01755	2.4
69.52457	3.6
71.01256	2.6
72.99192	0.6
73.02822	2.4
81.03325	0.6
82.09463	0.4
83.04914	0.6
85.02822	1.5
87.00754	1.3
87.04402	3.1
89.02324	1.1
93.03339	6.0
98.20569	0.5
101.02339	1.2
102.02657	0.4
106.04107	1.0
107.04921	1.6
108.02052	6.8
109.02834	14.9
111.04439	1.1
113.02351	1.4
116.92784	0.6
121.01963	0.6
121.02842	16.2
122.03639	20.9
123.04394	1.5
123.08071	2.0
125.02299	0.5
129.01849	0.5
133.02876	5.1
134.03638	5.1
135.04463	2.5
135.08118	0.6
136.01581	2.8
137.02341	1.7
143.04887	0.7
144.05695	0.7
145.06621	0.5
147.08076	1.3
149.02376	0.7
151.02751	0.5
151.03928	1.2
152.01038	3.9
153.01826	1.2
157.06494	1.0
159.04448	0.9
161.04442	0.5
163.07549	1.2
165.01846	3.2
173.04460	6.5
173.09627	2.7
175.07559	1.9
177.01862	9.9
189.09035	0.6
191.05580	7.2
191.10704	29.9
192.11035	1.3
193.12364	0.5
201.05544	1.5
203.10698	7.3
204.11000	0.9
217.08646	2.7
219.06573	3.0
221.11784	2.9
231.10323	0.8
233.08244	0.7
243.13834	0.9
261.14929	6.0
279.16028	21.0
280.16364	2.0
287.12906	2.5
293.10291	1.2
305.13940	47.8
306.14243	4.6
311.11377	2.3
321.17078	0.7
323.14975	40.3
324.15295	3.0
456.16623	0.5
467.15649	3.5
468.16220	0.5
485.20331	100.0
486.20654	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91480	2.0
54.00104	1.9
55.37831	1.5
57.03312	3.0
59.01255	30.2
65.69954	1.7
69.64552	3.8
69.64967	8.8
71.01257	27.0
73.02827	4.1
79.34853	1.7
83.01260	2.4
85.02826	11.8
87.00764	5.6
89.02324	16.5
93.03339	9.4
97.02803	1.9
99.00774	2.1
101.02322	24.4
108.02069	7.1
109.02853	6.5
111.04430	2.5
113.02367	7.7
119.03416	6.4
125.06029	2.1
131.03442	5.7
135.04463	3.5
137.02336	2.0
145.07625	3.8
146.03709	1.8
152.01086	8.3
153.01862	5.1
155.03421	3.0
160.06314	9.3
161.02475	2.4
161.04515	7.0
161.07124	60.2
162.07457	2.8
162.22212	1.7
173.04466	29.7
173.05826	2.7
173.91216	1.7
175.08684	19.5
176.04697	11.3
177.09151	12.9
179.05568	2.2
179.07117	2.2
187.07489	3.2
187.08919	2.8
189.06633	100.0
190.07005	5.8
191.05548	38.7
191.07133	3.3
194.83023	1.6
201.10349	3.7
203.08203	21.3
203.11928	7.3
205.08672	16.3
221.06609	6.6
229.09802	10.3
231.10223	3.6
249.11324	31.7
257.08411	2.4
261.61536	1.6
267.12436	11.0
293.10556	3.2
305.11429	40.7
305.14709	2.4
306.11966	2.2
311.05664	2.6
311.11362	2.5
323.12332	4.1
368.67307	2.0
441.14880	2.0
449.14624	1.8
467.15979	10.2
485.17889	85.6
486.18286	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	56.5
58.03652	1.2
59.01249	9.5
63.15899	0.4
67.01758	0.4
68.56127	0.5
69.57186	3.4
71.01249	2.5
72.99194	0.5
73.02819	0.8
81.03344	1.5
83.01243	0.9
85.02838	1.7
87.00767	0.9
89.02354	0.9
93.03332	5.6
94.18416	0.4
96.95921	0.9
99.00770	0.5
99.04397	39.1
100.04736	1.2
101.02326	10.3
108.02065	1.8
109.02840	2.0
111.04411	1.1
113.02337	1.5
115.91985	0.7
116.92762	1.3
119.03481	0.6
121.02799	0.5
122.20989	0.4
125.02341	20.3
126.02706	0.7
134.03609	2.4
135.04391	1.2
136.01576	1.7
137.02365	1.4
143.03374	0.7
145.02895	0.6
146.03636	86.7
147.03957	4.4
151.03839	0.7
152.01018	1.8
153.01860	0.8
155.03413	0.6
161.05989	50.8
162.06320	2.4
164.04698	5.8
165.05252	0.5
173.04488	10.2
177.57486	0.4
179.07059	100.0
180.07396	5.4
191.05534	9.3
205.08649	1.1
231.10184	0.9
247.07082	0.4
249.11340	0.9
267.06570	1.2
293.10211	1.0
311.05524	2.3
311.11319	2.4
460.42834	0.4
467.15637	3.0
485.16467	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.0
59.01252	100.0
60.01593	2.0
67.01752	7.4
69.03323	2.0
70.92443	4.7
70.92776	1.8
71.00892	3.6
71.01253	39.2
72.01608	2.3
72.99183	6.4
73.02818	34.9
79.05427	1.9
83.01243	8.7
83.04876	1.7
85.02818	14.1
87.00771	10.3
89.02315	19.6
93.03342	43.2
97.02847	1.9
97.06467	2.4
99.00737	3.1
99.04391	2.8
101.02326	25.5
107.04905	13.3
108.02060	6.4
108.75808	1.9
109.02831	20.3
111.04409	9.8
111.08061	2.7
113.02319	10.7
116.92757	2.5
119.03389	7.8
119.04926	3.0
121.02852	7.1
122.03605	5.0
123.04412	4.1
125.02359	4.3
125.05981	3.0
127.03926	2.7
133.02838	1.9
133.06555	1.8
134.03641	30.1
135.04445	13.2
136.01573	13.7
137.02336	13.7
139.07538	2.2
143.03391	3.8
145.07629	15.9
146.07919	6.6
149.04384	2.2
151.03954	13.6
152.01068	2.5
155.03415	6.1
157.06491	19.4
159.04385	4.7
159.08005	2.4
161.02359	2.1
161.04466	5.2
173.04474	63.2
173.08032	3.2
174.04752	2.2
175.07547	23.7
177.09138	8.9
178.02602	3.7
179.03343	1.9
179.05447	2.5
188.08229	22.2
189.08586	12.9
191.05553	57.4
192.05807	2.6
195.02892	2.3
201.05499	22.4
201.12759	8.4
203.10748	3.6
204.11435	11.1
214.09862	4.6
219.06589	75.2
219.13803	13.3
220.06882	5.7
231.10216	6.4
251.11404	3.6
257.11200	2.2
263.12881	57.5
264.13159	3.3
287.12866	2.3
293.10309	10.0
305.13693	10.5
306.03650	1.8
311.11450	15.4
323.14868	3.9
374.29550	1.9
423.12997	29.0
424.12930	3.0
441.13538	13.5
467.09149	2.1
467.15558	31.9
468.15808	5.2
485.16580	7.4
485.20065	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
59.01251	14.2
60.99183	1.0
67.01749	1.9
71.01257	9.4
72.99169	1.5
73.02816	1.3
78.95775	9.7
83.01271	1.3
83.04874	1.8
85.02810	5.0
87.00752	3.3
89.02313	4.5
93.03326	10.1
94.02876	1.3
95.01273	2.6
96.95895	19.0
96.96832	15.8
97.02846	1.2
98.02354	100.0
98.19779	2.2
98.95453	2.2
99.00741	2.7
99.01869	5.1
99.02637	1.7
99.04387	1.7
101.02336	4.2
107.04826	0.9
108.02057	14.2
109.02856	9.8
110.02345	2.0
111.00742	3.1
111.04358	2.3
112.03904	0.9
113.02329	3.7
115.91953	1.3
119.03358	2.2
121.02818	1.7
122.02367	1.8
123.04427	1.0
125.02368	2.5
125.05939	1.4
127.03873	2.5
134.02449	0.9
134.03593	2.4
135.04398	2.9
137.02350	3.1
138.54260	0.9
143.03438	1.0
146.03629	1.5
152.01060	11.8
153.01819	6.4
155.03398	1.7
161.02199	1.4
161.04474	1.0
161.05975	1.3
173.04451	16.0
176.04674	4.1
177.09102	5.2
179.05574	1.4
179.07051	3.2
187.07574	2.0
190.06306	1.3
191.03741	1.8
191.05536	33.9
191.09332	1.1
192.05869	1.7
195.00172	0.9
203.07129	1.3
205.08662	8.0
212.19232	0.9
223.13463	1.3
231.10265	2.3
244.13345	2.7
249.11357	7.2
262.14429	2.4
267.12408	3.5
271.42468	0.9
275.09464	1.0
293.10297	2.3
300.52979	1.3
311.05493	1.2
311.11325	2.4
315.07224	5.6
335.98209	1.0
342.03012	0.9
357.08194	2.5
381.55771	1.3
424.80240	0.9
441.13541	1.1
453.28894	1.0
467.15768	7.3
484.14050	3.3
485.12708	8.3
485.17078	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24732	2.0
57.03310	7.0
59.01248	40.8
67.01756	5.1
68.01278	3.1
70.91421	4.0
70.91771	4.8
71.01254	24.6
72.99162	6.4
73.02812	2.9
78.95774	8.7
81.03277	2.8
82.14220	2.3
83.04893	5.2
85.02819	16.8
87.00755	12.5
89.02317	15.1
93.03328	31.1
96.95888	18.6
96.96825	13.8
98.02355	100.0
99.01841	3.9
99.04357	2.2
99.71552	2.2
101.02329	9.9
108.02061	11.1
109.02834	12.5
110.02348	6.5
111.00764	2.7
111.04398	9.2
113.02319	7.8
115.91918	3.1
119.03358	9.1
121.02851	4.6
122.03628	2.8
123.04435	3.9
125.02327	4.3
127.03891	3.3
134.03665	3.5
135.04401	7.3
136.01584	4.1
137.02310	5.3
146.03658	4.5
147.04407	4.6
149.05989	2.8
150.63762	2.4
151.00317	2.5
152.01077	10.9
153.01802	8.1
155.03404	4.5
159.04497	2.5
161.02342	4.8
161.04456	4.9
161.05821	2.7
161.07092	4.1
173.04472	49.8
173.05881	2.5
175.03911	2.8
176.04712	29.8
177.09131	33.8
179.03561	2.1
179.05518	6.3
179.07047	7.9
187.07582	10.6
189.06700	4.3
190.06255	3.7
191.05536	87.1
192.05872	7.0
202.06131	3.7
203.07120	4.1
205.08636	45.2
218.06705	3.1
231.10242	4.5
233.08150	3.7
244.13290	4.0
249.11279	56.0
267.06573	7.1
267.12375	18.4
293.10294	7.1
311.05658	11.1
311.11356	4.8
314.23331	2.3
322.13666	3.5
467.15512	17.4
484.19241	5.1
485.17102	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29645	0.6
55.01755	1.5
57.03309	2.7
58.00462	2.6
59.01250	60.0
60.99172	0.8
61.02757	0.6
67.01745	2.0
68.23750	0.7
68.29842	0.8
69.03362	0.7
69.46843	1.9
69.47256	4.6
71.01254	37.2
72.97397	1.6
72.99186	4.5
73.02820	6.5
77.97414	0.8
80.58858	0.6
81.03340	0.8
82.02853	1.2
83.01253	3.0
84.00772	0.8
85.02821	9.3
87.00745	6.7
89.02318	41.4
90.02650	1.1
93.03329	14.7
95.01256	2.2
95.04875	0.7
97.06473	0.8
99.00749	0.9
101.02324	27.9
107.04935	1.9
108.02056	2.9
109.02852	6.4
109.06487	0.8
111.04388	2.8
113.02325	17.0
115.03929	0.9
115.04919	0.7
116.92738	1.3
119.03379	18.6
121.02852	1.8
122.03642	0.9
123.00746	0.7
123.04401	1.1
125.02317	2.3
127.03815	0.9
131.03381	3.9
133.31561	0.7
134.03653	7.7
135.04424	5.9
136.01537	3.1
137.02322	3.7
143.03406	3.3
145.07620	62.3
146.07933	2.6
149.04456	1.6
151.03976	3.4
152.01071	1.2
153.01717	1.1
155.03375	1.7
157.06529	1.6
161.04472	4.6
170.07182	5.7
173.04478	19.6
175.07565	2.6
177.09163	1.2
178.02620	1.1
179.03455	1.7
179.05531	8.8
188.08223	100.0
189.08551	4.4
191.05548	23.7
201.05600	3.3
201.12775	1.5
203.10800	0.7
204.11499	2.1
213.73895	0.6
214.09819	24.3
215.10170	1.9
219.06577	11.3
219.13838	2.4
221.06645	2.8
226.09874	0.9
230.09276	1.1
231.10287	1.8
233.08258	0.9
244.10860	2.1
256.10962	5.4
263.12860	12.9
268.10904	2.3
286.11996	1.2
287.34534	0.7
293.10306	3.1
304.12958	6.9
304.15378	0.6
305.13693	1.6
311.11295	5.4
322.14142	7.2
341.24307	0.7
341.39127	0.8
370.09259	0.8
423.12988	4.4
426.93994	0.8
437.14157	0.8
441.13510	1.8
441.18796	2.5
448.17117	1.0
453.94092	0.8
467.15536	10.9
484.19598	16.9
485.16541	2.7
485.20010	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11803	0.8
70.12197	0.7
72.76369	0.3
78.95774	12.8
91.91245	0.3
96.96830	1.2
98.19904	0.5
100.82431	0.3
152.99501	21.2
171.00574	1.5
227.03206	4.4
237.22209	0.4
245.04279	1.5
255.23276	100.0
256.23615	9.8
391.22293	0.5
483.27280	28.3
484.27643	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79776	0.3
57.03324	2.6
59.01250	19.5
63.45028	0.3
67.01765	1.7
71.01242	0.7
71.57844	0.4
73.02804	0.4
85.02819	4.4
87.00753	11.9
92.05492	0.3
93.03333	1.3
96.95879	0.6
101.02290	0.4
101.28296	0.3
109.02837	0.5
111.00761	100.0
112.01098	2.4
116.92734	0.6
125.09644	0.7
127.03950	0.6
128.68105	0.3
129.01831	0.4
137.09644	0.4
154.99820	0.5
160.84166	0.5
171.10188	2.3
173.00822	8.6
173.04485	1.1
191.05534	33.3
192.05904	1.4
201.11253	0.5
222.41983	0.4
246.42264	0.4
276.87646	0.4
291.19724	0.9
309.20703	10.0
310.20813	0.7
313.93784	0.3
344.29251	0.4
416.26035	0.4
470.08969	0.4
483.22470	1.6
484.22662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.1
59.01260	6.0
67.01759	3.0
68.23746	0.8
71.01247	2.9
71.58050	1.6
72.99173	2.2
75.00745	14.7
82.13473	0.8
85.02818	2.4
87.00754	8.8
87.14077	1.0
89.02312	2.8
99.00757	2.2
111.00768	100.0
112.01109	3.1
112.98699	2.1
121.10128	4.0
124.98669	1.7
125.09550	1.2
127.00349	0.9
129.01894	1.2
135.02895	17.1
141.98943	1.4
142.99767	3.3
143.86719	0.8
153.99004	3.0
154.99770	2.7
171.10146	9.9
171.99997	3.4
173.00819	11.0
191.05534	2.4
275.20142	17.0
276.20438	1.9
291.19540	2.1
293.21237	24.8
294.21591	1.6
309.20718	3.0
389.37823	1.1
453.21234	1.4
483.21844	1.8
498.85059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.1
59.01248	3.3
62.38906	0.2
67.01756	1.7
69.28519	1.5
69.28954	1.1
85.02843	1.4
86.04944	0.2
87.00751	9.3
88.01086	0.3
92.07999	0.2
92.77680	0.2
93.03329	0.5
96.95851	0.4
98.19778	0.5
101.02328	0.4
109.02855	0.4
111.00764	100.0
112.01099	2.5
112.43134	0.2
113.22591	0.2
121.02771	0.3
125.09641	0.2
129.01860	0.3
135.04399	0.3
154.99768	0.6
155.70859	0.2
158.84541	0.3
159.30070	0.3
160.84114	0.3
161.02466	0.3
171.10185	0.8
173.00832	7.6
174.01598	0.3
191.05550	3.4
199.13342	0.4
210.72032	0.3
291.19690	0.7
303.19644	0.3
309.20667	2.0
365.19559	0.3
483.22012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86233	2.0
59.01252	13.4
69.68914	4.8
69.69346	9.5
70.73994	1.7
71.01261	5.1
71.31119	1.6
72.99194	4.3
75.00748	70.8
77.95551	1.9
79.14146	1.7
82.65573	1.9
82.71828	2.2
87.00774	1.9
89.02321	5.4
117.01790	3.6
121.10139	18.2
121.95702	2.2
135.02895	67.8
136.03192	2.1
171.10187	57.3
231.21106	3.4
275.20154	89.3
276.20520	8.0
293.21219	100.0
294.21484	10.0
458.82150	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60907	0.3
57.03332	3.0
59.01252	38.0
60.01592	0.4
67.01768	1.9
68.46393	0.3
69.03337	0.6
69.57753	0.6
69.58157	2.5
71.01247	1.2
72.99216	0.6
78.95773	0.4
83.01257	0.9
85.02820	2.5
87.00752	19.0
89.02330	0.4
93.03330	1.0
95.01251	0.5
95.04907	0.4
101.02322	0.9
107.04906	0.6
109.02842	0.5
111.00767	100.0
112.01073	2.6
121.02809	0.4
123.00795	0.4
125.09612	0.6
129.01839	0.8
130.99683	0.4
135.02925	0.4
135.04446	0.8
149.05806	0.4
151.03906	1.1
152.99519	0.4
154.99741	0.5
155.10696	0.6
159.04463	0.4
161.02330	0.4
171.10193	1.1
173.00833	8.5
173.04465	0.8
174.01660	0.9
191.05534	1.3
217.10753	0.7
233.04269	2.5
263.28781	0.3
269.07178	0.9
279.16452	0.3
291.19757	0.8
309.10440	0.4
309.20685	2.6
321.20978	0.5
337.09735	1.6
339.11127	0.5
365.19666	0.5
421.22232	0.5
423.16818	0.7
441.21454	0.6
483.22226	5.6
484.23026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.187
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
56.98996	0.5
57.03315	0.9
59.01250	6.9
61.66083	0.5
65.00198	0.9
65.03817	0.9
67.01760	1.6
67.29725	0.5
69.03333	0.6
71.01254	3.6
72.99168	1.3
73.02818	1.2
81.48527	0.5
83.01269	1.5
83.04884	1.5
85.02811	2.8
87.00742	2.2
89.02293	1.6
93.03326	3.6
96.95908	0.9
99.00748	0.6
99.04351	0.7
101.02335	2.8
107.01273	1.3
107.04904	2.6
108.01440	0.6
108.02065	5.4
109.02840	10.2
109.06460	5.7
113.02316	1.2
121.02847	19.9
122.03638	17.0
123.04440	0.8
124.01605	0.8
125.02333	1.4
133.02847	1.8
133.10124	2.2
134.03592	1.1
135.04439	3.1
137.02342	2.2
138.05534	0.5
139.03915	0.7
143.04895	0.6
145.06459	0.7
146.03592	0.8
147.04405	0.7
149.02361	0.8
150.03110	0.9
151.00261	3.2
151.03918	1.2
152.01047	3.2
153.01836	2.7
157.01353	0.5
157.06497	4.1
159.04433	2.1
159.08075	2.0
161.02396	1.0
161.05980	1.6
163.03831	0.6
163.07533	2.3
165.01862	7.6
166.02603	0.8
173.04465	2.1
173.05908	0.8
175.07581	12.0
176.07829	0.8
177.01881	3.3
177.09134	64.1
178.02559	0.7
178.09456	3.2
178.99806	1.5
179.03413	1.2
187.07639	0.6
189.09151	1.6
191.03738	0.8
191.05553	11.1
191.07065	0.5
201.05502	8.7
203.07082	3.4
215.10730	1.2
215.14420	0.7
219.06587	13.9
219.09975	0.9
220.07083	1.6
221.08130	10.2
222.08502	0.9
223.11066	0.6
229.12248	0.8
231.13910	4.5
233.08199	0.8
241.12340	2.5
247.09724	1.3
259.13361	14.0
260.13736	1.5
265.05063	0.6
269.01001	0.9
277.11658	0.8
277.14380	4.0
278.15045	0.6
285.11426	1.5
298.64243	0.8
299.52460	0.9
300.02817	4.4
300.52988	1.1
303.12357	10.7
304.12634	1.2
309.09512	0.8
321.13412	25.3
322.13589	2.5
334.26639	0.5
347.11182	0.5
365.12360	1.2
381.05453	2.0
383.13239	2.5
401.55453	0.9
402.05914	3.3
402.56091	1.1
405.10251	0.6
483.18765	100.0
484.19141	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03877	0.4
56.06829	0.4
57.03326	0.7
59.01252	100.0
60.01596	1.1
62.73021	0.5
65.82702	0.5
71.01264	3.8
72.99173	0.9
73.02821	1.4
78.95801	0.8
81.26283	0.5
83.01279	0.9
85.02835	1.5
87.00759	0.9
89.02322	1.3
93.03356	1.3
95.01263	0.7
96.95889	0.8
98.20501	1.0
99.00788	0.7
101.02319	2.3
109.02856	1.1
111.04325	0.6
113.02335	2.6
119.03414	1.0
121.02849	7.6
123.00702	0.5
125.02317	0.8
125.09624	0.7
135.04414	1.2
137.02354	1.4
143.03418	0.6
143.10640	0.4
149.03593	0.5
152.01038	0.5
161.04485	0.4
171.10211	0.8
173.04520	1.5
174.01677	3.6
181.28281	0.5
189.91699	0.5
191.05576	1.6
199.07440	0.4
235.51279	0.5
311.09796	0.5
331.06149	0.5
340.23615	0.5
358.33856	0.5
373.07361	0.8
446.47919	0.6
469.18185	0.6
500.24069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03877	0.4
56.06829	0.4
57.03326	0.7
59.01252	100.0
60.01596	1.1
62.73021	0.5
65.82702	0.5
71.01264	3.8
72.99173	0.9
73.02821	1.4
78.95801	0.8
81.26283	0.5
83.01279	0.9
85.02835	1.5
87.00759	0.9
89.02322	1.3
93.03356	1.3
95.01263	0.7
96.95889	0.8
98.20501	1.0
99.00788	0.7
101.02319	2.3
109.02856	1.1
111.04325	0.6
113.02335	2.6
119.03414	1.0
121.02849	7.6
123.00702	0.5
125.02317	0.8
125.09624	0.7
135.04414	1.2
137.02354	1.4
143.03418	0.6
143.10640	0.4
149.03593	0.5
152.01038	0.5
161.04485	0.4
171.10211	0.8
173.04520	1.5
174.01677	3.6
181.28281	0.5
189.91699	0.5
191.05576	1.6
199.07440	0.4
235.51279	0.5
311.09796	0.5
331.06149	0.5
340.23615	0.5
358.33856	0.5
373.07361	0.8
446.47919	0.6
469.18185	0.6
500.24069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.5
59.01246	11.9
65.00196	1.3
70.86947	1.0
71.01264	8.9
71.57259	2.0
72.99178	2.0
73.02832	2.0
76.87389	1.1
78.95775	30.0
79.95610	2.7
83.01238	2.0
83.61015	1.2
85.02843	3.6
87.00756	2.9
89.02312	5.1
93.03362	3.4
96.95894	100.0
96.96848	58.7
98.02358	49.4
101.02342	4.9
108.02046	10.1
109.02917	8.2
110.02415	1.9
111.00761	9.7
113.02339	1.7
122.03712	1.6
135.04410	1.7
137.02356	2.2
145.53113	1.1
151.00243	2.3
152.01067	11.4
153.01654	4.2
160.18399	1.1
161.02365	2.7
161.04404	1.4
166.05002	2.7
173.04457	4.6
177.09096	3.3
191.05560	15.9
242.68442	1.3
247.09888	1.5
261.07645	1.5
291.08737	1.8
300.02737	4.3
300.52856	2.0
309.09760	1.7
315.07089	1.9
321.13364	1.4
402.05978	1.6
442.56613	1.1
443.89432	1.3
482.26871	1.4
483.13217	18.4
483.19785	1.7
483.27359	3.3
484.13443	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.5
59.01246	11.9
65.00196	1.3
70.86947	1.0
71.01264	8.9
71.57259	2.0
72.99178	2.0
73.02832	2.0
76.87389	1.1
78.95775	30.0
79.95610	2.7
83.01238	2.0
83.61015	1.2
85.02843	3.6
87.00756	2.9
89.02312	5.1
93.03362	3.4
96.95894	100.0
96.96848	58.7
98.02358	49.4
101.02342	4.9
108.02046	10.1
109.02917	8.2
110.02415	1.9
111.00761	9.7
113.02339	1.7
122.03712	1.6
135.04410	1.7
137.02356	2.2
145.53113	1.1
151.00243	2.3
152.01067	11.4
153.01654	4.2
160.18399	1.1
161.02365	2.7
161.04404	1.4
166.05002	2.7
173.04457	4.6
177.09096	3.3
191.05560	15.9
242.68442	1.3
247.09888	1.5
261.07645	1.5
291.08737	1.8
300.02737	4.3
300.52856	2.0
309.09760	1.7
315.07089	1.9
321.13364	1.4
402.05978	1.6
442.56613	1.1
443.89432	1.3
482.26871	1.4
483.13217	18.4
483.19785	1.7
483.27359	3.3
484.13443	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43500	0.6
59.01250	100.0
60.01582	1.0
61.41846	0.7
61.98698	0.9
67.01802	0.6
70.60780	1.1
70.61141	2.5
71.01248	4.2
73.02832	1.6
83.01279	0.7
85.02821	1.8
89.02315	1.3
93.03362	1.9
101.02335	2.4
102.05450	0.9
108.02060	0.8
109.02857	2.6
113.02347	0.9
119.04889	0.7
121.02870	1.9
122.03704	0.8
123.04430	1.0
135.04463	2.5
137.02344	1.5
152.01134	1.2
153.01843	1.8
161.02293	0.9
161.04457	0.9
163.45607	0.6
173.04547	2.7
179.03416	1.1
191.05545	5.2
279.08759	1.3
403.56104	0.8
483.18909	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08181	0.9
62.06285	0.8
64.95666	1.0
64.98291	1.1
70.00800	5.5
78.35972	0.9
78.95317	1.8
78.95774	31.6
89.70532	0.9
96.96835	2.9
97.32050	0.9
145.12720	0.9
152.99493	58.7
171.00560	19.3
204.82391	1.1
227.03217	3.0
245.04291	100.0
246.04623	2.3
253.21706	62.0
254.22078	5.0
481.25784	25.2
481.31982	1.1
482.25900	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92653	0.6
56.39890	0.6
56.45712	0.6
59.01251	100.0
60.01591	0.8
61.25788	0.6
69.42066	5.1
71.01260	2.7
91.05407	1.0
93.03334	1.0
109.02862	1.8
112.12247	0.5
121.02865	1.9
135.04407	8.2
137.02393	0.8
147.04448	1.5
159.04474	2.1
163.67760	0.6
171.10255	1.3
173.04617	0.8
175.04010	0.9
217.12343	1.9
254.17003	0.5
259.20688	0.7
279.08871	1.6
293.21317	0.7
303.19702	1.0
339.15848	1.2
363.15302	0.8
365.19598	2.9
381.11905	1.1
483.19812	0.8
483.33325	0.6
503.11044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90871	0.8
70.01788	1.9
70.02201	2.1
78.95776	37.2
94.54336	0.7
96.96838	3.1
113.95273	0.7
124.73075	0.7
127.27290	0.7
142.12016	0.8
152.99495	59.5
153.51413	0.8
153.99876	1.5
154.70546	0.7
171.00560	17.4
227.03201	3.8
245.04291	100.0
246.04659	2.6
252.17952	0.8
253.21703	58.2
254.22046	3.4
258.66232	0.7
283.74286	0.9
365.88486	0.7
481.25754	27.2
482.26093	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
57.03328	1.5
59.01249	4.7
60.99176	3.3
65.03821	0.7
67.01762	11.5
69.03329	2.7
69.30301	2.4
71.01258	5.9
72.99174	0.5
73.02817	0.7
78.95781	0.5
81.03337	1.9
83.01246	0.3
83.04902	1.8
85.02826	1.5
87.00750	10.6
89.02331	0.3
93.03335	69.7
94.03673	2.3
97.06453	1.3
98.19704	0.4
99.00764	1.1
99.04398	0.9
101.02330	0.7
108.02070	0.6
109.02821	1.6
111.00751	0.6
111.03627	0.5
111.04405	11.0
113.02324	1.5
115.03867	0.5
121.02834	0.5
127.03852	0.4
129.01810	1.2
133.02847	1.7
134.03630	20.0
135.04485	2.7
136.04756	0.3
137.02344	4.2
138.02640	0.3
143.03377	0.8
152.01018	0.3
152.99496	0.8
153.01889	0.4
155.03415	5.4
161.02313	0.5
173.04469	100.0
174.04811	3.4
177.01794	1.4
178.02638	4.4
179.03355	1.1
191.05550	6.8
192.06026	0.2
231.10181	1.2
233.80826	0.2
265.09198	0.2
275.09225	1.6
307.11871	8.6
308.12204	0.9
383.03857	0.3
426.18982	0.3
437.14606	0.4
449.14520	5.3
450.14841	0.6
481.17126	16.6
482.17477	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03329	2.2
57.58176	0.4
59.01251	7.3
60.99175	5.3
65.03826	0.8
67.01761	14.6
67.72915	0.4
69.03326	4.6
69.39198	2.9
71.01251	7.1
72.99178	0.5
73.02817	1.2
74.89820	0.3
78.71361	0.4
78.95780	0.4
81.03339	2.9
83.01273	0.4
83.04913	2.2
85.02830	2.4
87.00751	19.8
87.04395	0.8
89.02294	0.5
93.03336	100.0
94.03673	2.8
95.01231	0.4
96.95887	0.5
97.06441	0.5
99.00764	1.8
99.04420	2.1
101.02328	1.4
102.40172	0.5
108.02039	0.7
109.02838	1.8
111.00751	0.5
111.04404	15.7
113.02293	2.5
115.03881	0.9
121.02814	0.7
122.03619	1.0
124.00617	0.4
124.01545	0.4
125.02312	0.6
129.01834	2.5
133.02861	2.4
134.03638	9.1
135.04434	4.0
137.02345	2.6
139.03871	0.7
143.03395	1.2
151.07567	1.0
153.01781	0.6
155.03438	2.9
161.02365	0.6
173.04471	61.4
174.04799	2.2
177.01886	1.8
178.02635	8.8
179.03439	1.9
191.05559	3.4
205.12466	0.3
275.09305	1.3
308.09000	0.9
317.13806	0.7
318.14279	1.1
319.14566	1.2
351.07120	1.1
352.08069	0.8
364.69736	0.4
422.63959	0.3
449.14493	41.3
450.14792	4.7
481.17078	16.5
481.31775	1.9
482.17801	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01247	7.5
60.99168	4.7
63.94242	0.5
65.03840	0.8
67.01761	13.4
69.03326	4.4
69.41405	1.4
69.41803	5.0
71.01261	8.1
73.02809	2.0
78.95778	0.9
81.03342	2.8
83.04910	2.9
85.02824	1.4
87.00754	18.5
87.04387	0.6
89.02313	1.3
93.03336	100.0
94.03703	2.8
94.26078	0.6
95.01221	0.6
96.95869	0.9
97.02808	1.0
99.00751	2.0
99.04382	2.2
101.02323	1.4
109.02811	2.1
111.04411	14.3
113.02338	3.4
115.03903	0.8
121.02853	0.8
125.02251	0.6
129.01813	2.4
133.02844	2.1
134.03632	10.3
135.04419	5.8
136.04778	0.9
137.02338	3.9
143.03429	1.1
149.05943	0.7
155.03384	4.2
162.03139	0.7
168.00572	0.6
173.04472	75.5
174.04829	2.9
177.01808	2.1
178.02647	8.0
179.03387	2.2
191.05598	4.0
275.09341	1.2
276.51620	0.6
277.17993	0.7
308.08969	1.1
324.08563	0.6
351.07065	1.3
352.07980	1.2
449.14557	29.7
450.14697	4.1
481.17059	19.1
482.17316	3.2
482.23935	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
56.25953	0.8
57.03322	1.1
58.00472	1.1
59.01255	37.4
59.68356	0.8
63.19802	0.8
65.03826	3.2
69.25643	10.0
69.65698	0.7
71.01254	16.3
72.99187	2.6
73.02822	4.1
75.00758	1.2
81.03313	1.0
83.01257	3.9
83.04885	2.1
85.02826	11.9
87.00751	24.6
89.02306	5.2
93.03338	100.0
94.03680	3.8
95.01220	1.4
99.00755	4.6
101.02319	13.2
107.04905	12.7
107.98278	0.9
108.02034	1.2
109.02866	4.5
111.00771	2.3
111.04424	6.4
113.02341	7.6
117.03364	10.0
119.03516	1.8
119.04919	76.6
120.05271	2.8
121.02838	12.1
123.04439	1.3
125.02342	2.1
133.02870	1.0
135.04413	8.8
137.02348	94.8
138.02678	3.5
141.01831	1.0
145.02863	22.7
147.04378	8.1
148.05034	0.9
149.02342	4.1
151.00356	1.3
151.03886	1.2
152.01062	1.1
153.01802	1.3
153.05476	1.3
155.03401	12.8
156.34447	0.9
158.03690	1.6
159.04425	3.0
159.13579	0.9
161.02332	1.6
161.04466	2.1
163.03922	56.3
164.04329	2.9
169.01253	1.0
172.05220	1.0
173.04494	5.1
173.05843	1.4
174.06691	1.0
177.01859	2.0
178.99916	0.9
179.03412	13.6
187.03871	1.6
187.07581	8.2
189.05579	1.0
191.03485	7.7
191.05563	28.4
192.05980	2.7
201.05508	1.8
201.11082	1.4
202.06277	2.3
203.10880	1.5
209.04538	2.1
209.11751	2.1
213.09056	1.0
231.10274	3.8
253.04692	0.9
259.19177	1.8
275.09265	17.5
276.09531	1.8
289.10864	1.2
299.07767	2.2
301.20282	1.4
301.41229	1.0
317.08871	1.6
345.28778	1.0
421.24115	2.5
449.14532	3.4
463.25674	4.9
481.26599	49.1
482.26944	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13419	0.9
59.01254	13.3
65.03849	1.0
69.54853	6.1
71.01254	7.8
73.02819	1.1
78.90971	0.9
81.03370	1.9
83.04924	1.0
85.02828	11.9
87.00760	16.8
87.71394	0.9
89.02327	3.1
93.03340	50.7
94.03672	1.7
95.01251	0.9
99.00770	1.8
101.02337	2.3
106.97662	0.7
107.04922	5.7
109.02850	3.3
111.04445	4.0
113.00356	0.7
113.02333	3.5
117.03319	4.1
119.04922	40.1
120.05245	1.2
121.02827	5.8
125.02334	0.8
127.03924	3.0
131.25087	0.9
135.04430	3.7
137.02356	43.3
138.02696	1.8
145.02846	11.6
147.04425	3.8
149.02278	1.3
155.03429	7.3
163.03931	25.9
164.04132	1.2
173.04517	4.6
173.05870	1.2
179.03439	6.8
187.03957	2.7
187.07509	4.0
191.05551	100.0
192.05887	4.1
202.06252	2.8
209.04462	1.9
215.07181	1.9
231.10188	2.7
247.09894	0.9
269.14020	0.9
272.12683	0.9
275.09161	2.2
289.10928	1.4
299.07867	1.9
301.03131	1.0
301.12997	2.9
307.11877	1.6
317.08698	1.1
318.03082	1.7
347.44406	0.9
449.14398	2.0
481.08676	3.9
481.19312	1.7
481.26578	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54666	0.5
51.97794	0.6
57.03318	1.2
58.00480	0.7
59.01254	24.9
65.03841	2.7
67.01752	0.7
69.03342	0.8
69.43549	0.5
69.84678	2.1
69.85087	1.2
71.01256	12.8
72.99178	3.1
73.02822	2.2
75.00758	1.2
77.08090	0.6
81.03334	1.0
83.01257	1.6
83.04898	1.3
85.02833	7.0
87.00753	25.2
88.01073	0.7
89.02309	5.8
93.03338	100.0
94.03668	3.9
95.01279	1.7
99.00771	2.7
101.02329	7.1
107.04915	12.1
108.02065	4.5
109.02843	2.5
111.00790	1.5
111.04390	4.8
113.02331	6.1
117.03358	10.9
119.03459	2.4
119.04918	81.5
120.05263	2.8
121.02849	13.5
122.03185	0.6
123.04362	0.7
125.02346	1.4
129.01819	1.5
133.02853	1.4
135.04411	8.4
137.02348	92.3
138.02672	4.1
139.03938	0.7
145.02855	24.8
146.03242	1.1
147.04408	9.6
149.02368	3.1
151.00357	0.6
151.03949	0.9
151.97731	0.6
152.01085	3.1
153.01857	2.0
155.03413	14.2
159.03006	1.0
159.04398	1.4
161.02379	1.5
161.04549	0.9
161.05968	0.8
163.03923	61.7
164.04335	3.1
173.04549	3.0
175.03906	0.8
177.01875	2.3
178.04863	0.8
178.99876	0.7
179.03436	15.7
180.03654	0.7
187.03955	0.6
187.07619	2.3
189.05513	0.8
191.03470	7.4
191.05562	11.5
192.05789	0.6
197.04533	1.4
201.05591	0.9
201.11313	1.1
202.06335	0.5
203.10736	0.9
209.04477	2.5
209.11754	1.3
231.10156	1.1
253.09364	0.8
263.05643	0.8
275.09250	4.7
299.07840	1.6
315.07590	0.5
317.08749	2.0
319.08566	0.6
319.21411	1.2
397.68887	0.6
421.24496	2.1
445.11002	1.3
463.25607	3.3
481.14011	1.8
481.26569	35.6
482.26898	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0989
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
55.74625	2.6
57.03329	5.3
59.01248	26.6
65.00195	5.0
71.01246	18.3
71.57991	3.8
75.00743	39.9
81.03331	3.2
83.01264	13.4
85.02840	5.3
87.00768	3.7
89.02301	10.6
93.03318	4.0
95.01280	10.2
96.95857	3.3
97.02850	6.2
99.00750	13.5
101.02320	8.0
107.01261	7.9
108.02055	5.6
109.02840	18.1
111.00748	11.5
113.02303	6.8
119.03358	2.8
121.02862	4.5
123.00782	29.0
123.04383	4.9
125.02345	92.3
127.03867	2.8
133.02873	4.3
135.04384	8.1
137.02348	38.3
139.00287	13.0
139.03893	3.2
140.01057	22.3
141.01834	100.0
141.02934	5.8
142.02173	4.3
149.02357	18.7
149.04425	3.4
151.00270	20.5
151.03889	6.8
152.00931	5.0
152.23541	2.8
153.01822	30.1
161.02322	3.9
163.03951	5.4
165.01816	33.6
166.69548	2.9
166.99794	21.0
167.03406	6.8
168.00505	11.4
169.01337	4.8
173.04436	4.2
175.00244	4.3
176.23904	3.0
177.01848	12.3
178.99788	22.0
179.03404	3.0
181.01344	10.0
183.39120	2.7
190.99748	10.5
191.03632	4.0
191.05516	17.8
193.01318	28.4
194.99275	12.6
195.02893	9.2
195.99585	3.1
208.69797	2.9
219.02864	7.8
233.04492	3.7
259.15189	3.4
290.04276	3.2
291.04941	6.7
300.02634	4.0
301.03549	19.5
303.07153	11.9
319.04550	44.3
320.04904	3.0
330.05908	3.8
343.06631	8.5
357.08093	3.3
376.24075	3.7
406.21979	2.9
421.20389	4.7
453.10333	43.1
454.10928	3.8
463.08841	11.8
466.72562	2.8
481.09769	72.1
482.10327	12.0
507.03247	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	37.0
65.90934	1.1
66.16201	1.2
78.95776	95.5
82.13918	1.1
96.32068	1.4
96.96856	1.5
98.19796	2.1
116.92686	1.5
136.28821	1.1
144.99846	1.3
168.04225	16.2
171.10048	1.3
175.09091	1.2
191.05522	1.4
317.18881	12.4
327.12701	1.4
335.19928	1.7
377.33798	1.5
389.16476	12.6
406.27261	100.0
407.27582	12.6
421.19061	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3095
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
59.11319	0.3
68.50154	0.4
78.95776	25.1
84.40681	0.4
96.96832	0.4
122.00026	1.1
130.06425	0.3
140.01059	4.8
152.99489	3.3
171.00528	1.5
180.56487	0.3
196.03734	10.0
197.92984	0.4
214.04788	2.4
229.65991	0.4
255.23283	0.8
283.26419	100.0
284.26758	10.2
434.66290	0.4
480.30991	26.4
481.31235	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.2
60.01594	1.3
71.01259	11.8
71.38004	1.7
71.38333	1.4
72.03093	1.0
72.99190	2.9
73.02811	2.0
75.88585	0.9
81.03307	1.5
83.01247	2.2
85.02826	7.9
87.00750	1.9
89.02306	1.5
90.04637	1.0
93.03320	7.8
94.02912	1.0
95.01279	3.4
99.00742	2.1
101.02338	6.2
108.02054	62.9
109.02855	31.3
110.02361	2.6
111.00725	1.2
113.02315	4.0
119.03377	1.1
119.04832	1.5
120.50820	1.0
121.02813	2.6
123.00762	1.9
123.03111	2.4
123.04427	2.4
123.68613	1.1
135.00774	1.4
135.04401	4.0
136.03914	2.1
136.04836	1.2
137.02322	3.1
138.05507	7.8
152.01054	78.8
153.01842	34.4
163.03899	2.8
164.03426	12.6
165.01834	2.3
173.04486	2.6
173.05898	1.3
174.03078	1.3
177.01888	1.6
179.03415	2.7
180.03743	1.1
187.07562	3.3
191.05537	19.1
197.04422	1.9
198.04686	1.0
201.05453	1.3
202.06177	2.5
224.61604	1.1
231.10213	2.6
255.06345	1.1
275.09317	1.3
300.05923	1.5
315.07211	100.0
316.07602	6.0
317.06631	1.4
317.19568	2.9
318.06808	2.1
461.23538	2.0
462.24179	1.7
479.24921	13.5
479.58145	1.3
480.11481	39.1
480.25238	17.2
481.11264	4.9
481.17944	1.9
481.26401	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	2.4
59.01256	4.6
69.68357	11.5
75.19547	1.7
78.95762	13.5
80.96175	2.2
96.95909	3.1
98.20668	1.8
107.04906	2.0
121.06496	3.0
123.04427	5.6
123.08041	10.6
125.09597	3.7
135.89772	2.1
139.11209	4.5
142.02609	3.1
149.09610	2.3
152.99524	6.1
155.14310	2.2
171.10188	72.7
171.11652	4.1
172.10530	3.2
199.13322	23.5
211.13388	6.1
221.11755	2.3
236.63652	1.9
245.04335	6.7
245.19090	11.3
246.19693	2.2
251.20158	5.1
261.04031	2.2
271.17001	1.8
289.18103	81.7
290.18393	6.7
307.19150	100.0
308.19574	13.0
403.90308	2.4
479.15137	2.7
479.28925	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01588	1.1
69.64402	2.3
71.01255	0.5
78.95751	0.4
87.04391	9.1
141.31276	0.3
171.10159	0.4
205.10521	0.4
293.21338	0.7
324.04010	0.3
428.75119	0.4
502.34528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.03326	1.6
58.00463	0.5
59.01253	100.0
60.01591	1.4
61.98696	2.2
67.01748	0.4
68.45799	0.4
69.03299	0.6
71.01256	13.9
71.58746	0.6
71.59105	0.4
72.99193	1.5
73.02818	5.4
75.00768	1.4
83.01271	3.2
83.04884	0.4
85.02827	8.3
85.99953	0.5
87.00767	1.6
89.02330	2.6
89.56715	0.5
91.01785	1.2
93.03331	2.4
95.01269	1.4
97.02824	0.5
99.00755	2.2
101.02322	11.9
107.01276	0.5
108.02083	1.2
109.02854	3.8
111.00790	1.6
113.02341	4.7
117.05508	0.4
119.03450	0.8
121.02886	0.8
123.04425	0.7
125.02392	0.9
135.00818	3.7
135.04405	2.4
137.02353	0.8
142.78871	0.5
143.03427	0.6
147.04547	0.5
151.00253	1.0
151.03923	2.4
152.01135	1.2
153.01892	2.8
157.12262	0.6
159.02913	0.8
161.02361	0.7
161.04485	2.4
163.03972	1.3
173.04474	2.8
173.05829	0.5
177.01877	1.4
179.03493	0.7
187.03987	0.5
191.05569	5.6
195.02917	0.7
199.13362	2.0
215.16512	1.6
225.11282	1.1
243.12422	0.6
256.09882	0.5
271.02533	1.4
275.18848	0.7
281.09238	0.6
283.13550	1.1
287.02011	0.7
298.01431	0.5
299.01926	1.3
299.10291	0.5
316.02316	1.6
317.03018	1.0
317.19757	1.1
359.20795	3.1
375.23859	0.6
377.21692	3.6
401.21796	1.1
414.16898	0.5
419.22806	4.0
435.25998	1.2
437.23938	3.9
438.24118	0.5
461.10757	0.5
461.23932	5.0
462.24664	0.7
479.12234	3.7
479.25089	86.4
480.12146	0.5
480.25397	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.5
57.03328	5.6
59.01254	76.4
67.01749	3.2
69.23445	23.6
71.01254	39.8
71.01611	2.9
72.01596	2.5
72.97425	4.2
72.99191	9.0
73.02486	2.0
73.02818	10.4
75.00738	11.5
80.68248	2.2
83.01279	6.2
83.04916	3.6
85.02822	16.0
87.00768	7.0
89.02326	29.2
91.00271	2.5
93.03358	10.3
95.01307	4.2
95.04896	2.4
97.02890	2.7
99.00809	4.7
101.02329	29.6
107.04925	2.6
108.02071	8.7
109.02839	20.3
109.06494	3.2
111.00776	3.0
111.04416	3.1
113.02330	14.8
118.98026	2.4
119.03420	6.0
119.04965	2.6
123.04422	2.6
125.02370	2.5
135.04434	10.0
137.02339	10.1
139.07593	2.8
148.44753	2.3
151.00337	5.3
151.03954	4.9
152.01060	10.4
153.01854	25.3
161.04492	4.7
162.05635	2.7
163.00331	4.3
163.03938	4.5
164.03479	3.5
171.10229	7.1
173.04535	5.4
178.99838	4.5
179.03418	2.6
181.05054	5.4
191.04066	3.1
191.05573	17.4
201.11282	4.7
206.99245	3.8
207.10318	2.9
225.11238	14.3
227.07254	3.2
245.11797	3.7
253.09398	5.1
255.06630	2.7
271.02615	2.1
281.06754	5.7
299.05756	3.1
299.18549	3.1
315.07181	18.9
316.02258	2.8
317.03204	4.6
317.06799	19.4
317.19589	13.7
318.20197	3.0
347.17282	6.1
461.24643	4.0
479.11639	8.0
479.25198	100.0
480.11618	7.2
480.25195	15.1
483.65341	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60163	0.3
56.53531	0.5
59.01253	3.7
62.97298	0.4
65.03841	1.2
67.01762	1.2
69.03322	1.1
70.24047	0.4
71.01268	2.0
71.58665	0.6
73.02824	0.6
75.00758	0.4
78.95780	1.5
83.01273	0.5
85.02813	1.1
91.05411	1.0
93.03333	1.2
95.04914	5.5
97.02825	0.9
101.02309	1.1
105.07036	0.5
108.02103	1.0
109.02839	13.9
111.04414	1.4
113.02340	0.8
121.02843	4.3
122.03637	6.0
123.04429	2.6
128.36324	0.4
133.02818	0.5
134.03625	1.7
135.04419	20.5
136.05244	3.2
137.02284	0.6
137.05986	14.9
138.06345	0.6
147.04471	2.4
148.05203	4.1
149.05994	11.4
151.07520	0.5
152.99512	1.2
153.01886	0.6
159.43893	0.4
161.04749	0.5
161.06001	10.8
162.06622	0.6
163.07574	2.6
171.00571	0.7
173.04526	1.0
173.05998	0.5
175.07501	1.1
177.09120	0.6
179.07031	1.2
191.05614	1.3
193.08611	0.8
201.09204	0.6
239.80943	0.4
245.11853	0.4
272.10526	2.0
273.11322	28.3
274.11639	3.0
284.10532	0.6
287.12915	15.7
288.13177	1.8
299.12897	19.4
300.13297	2.1
315.12430	1.5
317.13943	100.0
318.14304	10.2
479.19891	27.4
479.30573	0.9
480.20306	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70094	0.7
56.64834	0.7
59.01255	13.8
62.78635	0.7
63.02267	1.3
65.00178	3.1
68.99688	0.9
71.01247	2.6
83.01250	1.5
85.02827	1.9
89.02358	1.0
95.01273	3.9
98.19822	2.9
99.00748	1.7
101.02290	1.5
107.01280	4.6
108.02065	0.8
109.02853	5.6
109.99989	5.9
110.22688	0.8
111.00781	3.8
112.01074	0.8
113.02371	0.8
119.01196	0.8
121.02822	1.3
123.00783	4.7
124.01572	4.0
125.02346	2.6
135.00706	1.3
136.98657	1.5
137.02328	1.7
137.99500	2.1
139.00288	6.4
139.33823	0.8
145.02942	0.8
146.03630	1.8
147.04472	1.2
148.01500	1.2
149.02332	1.7
151.00276	11.4
152.01086	6.1
153.01791	2.3
159.04433	1.8
161.02324	2.3
163.00258	4.5
164.01054	3.3
164.98174	0.9
165.01819	1.4
165.99014	5.8
166.99750	5.2
168.00085	1.0
169.01389	1.8
171.04414	2.6
173.02277	1.0
174.03099	1.1
175.00273	0.7
175.03860	2.3
177.01703	1.2
178.99797	10.6
183.04340	1.0
187.03943	4.0
188.04576	1.1
189.01833	2.1
190.99799	1.1
191.05524	2.3
193.01398	1.3
194.99287	0.9
198.03105	2.9
199.03946	5.1
201.01874	2.2
201.05499	1.5
203.03453	4.7
206.99329	1.3
210.96382	0.8
214.02644	4.5
215.03375	5.3
216.04080	2.0
225.11282	1.2
226.02625	1.9
227.03458	6.9
228.03825	1.3
229.01465	1.5
230.02196	1.4
231.02969	4.7
241.01295	1.4
242.02171	6.4
243.02908	12.0
244.03487	2.1
245.00761	1.3
245.04480	2.0
255.02896	5.5
259.02478	6.4
260.03033	1.7
269.51361	0.9
270.01666	5.8
271.02490	36.1
272.03116	9.5
273.04016	7.5
287.01959	17.3
288.02701	11.3
289.03302	2.2
298.01184	2.3
299.01947	29.7
299.05350	1.7
300.02429	3.2
301.03302	1.1
315.01581	2.8
316.02213	69.4
317.02960	40.5
317.06085	0.6
318.03329	3.6
343.06604	1.9
435.09384	1.9
461.07538	1.5
479.08286	100.0
479.25360	9.3
480.08609	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01252	40.8
61.12040	0.9
63.02261	3.0
65.00199	9.2
67.01746	2.6
68.99667	1.2
69.03336	1.2
69.49248	8.8
71.01261	7.2
72.99181	1.5
73.02808	2.0
74.20244	0.8
75.00724	1.1
78.59195	0.9
78.68303	0.9
83.01244	6.0
85.02837	5.0
87.00718	1.1
89.02316	2.2
91.01766	1.3
92.99656	1.1
93.03356	8.2
95.01246	4.6
97.02805	1.3
99.00768	3.9
101.02323	5.1
106.00488	1.1
107.01290	7.7
108.02073	2.2
109.02854	3.5
109.99960	1.1
111.00764	16.7
113.02313	2.1
117.03324	4.4
117.06988	0.9
119.04920	2.5
120.99229	1.3
121.02802	2.1
123.00739	6.1
123.04397	1.7
124.01551	3.0
125.02341	6.9
131.04933	2.1
132.02089	2.1
133.02855	2.4
135.00775	2.1
135.04413	4.1
136.01595	2.1
136.04803	1.5
136.98734	1.7
137.02362	6.8
139.00281	16.8
141.01883	2.4
143.04939	4.4
145.02850	6.4
147.04370	1.3
148.01483	1.1
149.02324	2.1
149.06026	1.8
149.99536	2.5
150.99120	1.9
151.00273	23.3
151.03896	2.2
152.01071	5.2
153.01779	2.5
154.03958	1.3
154.99789	2.2
155.04907	4.1
157.02917	1.5
158.03566	1.1
159.04422	7.9
161.02335	3.9
161.04823	1.4
161.05984	8.1
162.06328	3.7
163.00288	4.7
163.06496	1.6
164.01027	4.3
164.98196	2.1
165.01813	3.3
165.05469	1.9
165.98965	3.1
166.99768	3.0
168.00529	1.8
169.01443	4.5
169.02728	1.4
170.03693	1.4
171.04449	8.0
172.70999	1.0
173.02365	2.3
173.06038	1.1
174.03192	5.7
175.03886	3.6
176.01091	1.3
176.93132	1.0
177.01851	2.1
177.99011	2.5
178.99779	16.4
179.03334	1.4
179.06995	3.2
180.07422	1.6
181.07744	1.3
183.04466	4.5
185.02359	2.2
186.03171	1.0
187.03931	8.5
188.04651	2.9
189.01851	4.3
189.05482	2.9
190.02625	1.0
190.99884	1.5
191.05617	2.1
192.00610	4.0
193.01317	3.1
194.99269	1.4
197.11772	1.8
198.03191	2.3
199.03899	7.2
199.13344	2.8
200.04581	1.3
201.01875	1.3
201.05507	1.5
202.02498	1.8
203.03426	4.5
205.01337	2.1
206.99271	2.5
207.10167	1.9
208.00044	2.5
209.00865	2.9
213.01917	1.6
214.02666	4.0
215.03452	10.0
216.04181	5.9
217.01588	1.5
217.05026	22.5
218.05493	1.0
219.02786	1.5
225.01974	1.2
225.11276	2.6
226.02711	1.5
227.03459	9.0
228.04237	1.0
229.01344	2.0
229.05103	1.6
231.02879	7.1
232.03691	4.0
241.01402	1.8
242.02132	6.3
243.02956	20.5
243.12337	2.8
244.03629	3.7
245.00879	1.6
245.04555	3.5
255.02936	8.9
259.02475	19.7
260.03140	2.8
270.01727	8.1
271.02481	66.9
272.03027	9.3
273.04175	6.6
273.06760	1.2
283.02417	2.2
285.04044	4.1
287.01971	25.0
288.02658	6.7
289.03400	3.3
297.03860	1.2
298.01337	1.8
299.01950	45.3
300.02374	7.3
301.03531	3.6
313.09305	1.5
315.01639	1.1
315.12546	1.3
316.02234	52.4
316.12524	1.4
317.02948	30.1
317.06680	1.7
317.12869	3.3
318.03308	2.4
359.06155	2.3
359.20313	1.5
371.06186	1.4
377.21954	2.2
379.10306	11.6
437.23752	1.4
451.08734	4.2
461.07614	2.3
461.24271	1.8
462.07669	1.8
479.08316	100.0
479.25577	25.5
480.08627	12.2
480.25781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3175
Annotation	Pingpeimine B
Peak:m/z	Relative Intensity
59.01234	1.6
64.36643	1.4
70.61769	1.6
70.62116	3.7
78.95782	5.0
80.35368	1.4
92.11034	1.3
93.03344	4.6
98.20492	1.8
109.02853	2.8
110.98404	4.0
116.32075	1.5
123.04375	3.1
135.03125	2.8
136.95764	1.4
142.04530	1.2
151.03911	28.4
152.03398	10.6
152.04459	2.0
155.99138	1.4
164.03461	3.1
171.10222	1.6
180.02946	76.4
181.03355	3.4
185.02087	7.8
191.07050	4.5
193.99788	1.3
253.21660	2.2
353.33917	1.5
376.14069	1.5
434.31253	1.8
448.31863	11.9
449.32547	1.9
460.30634	3.0
478.31750	100.0
479.19846	1.5
479.31888	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3173
Annotation	Pingpeimine B
Peak:m/z	Relative Intensity
50.00229	5.4
63.02258	1.1
64.01797	9.1
65.00201	0.7
65.99719	9.6
66.03386	0.7
67.18238	0.5
68.01250	0.8
71.49796	1.1
78.03345	1.2
78.95785	1.3
90.03354	2.1
106.02871	1.0
107.01276	1.7
108.04439	3.4
109.02838	9.7
110.02389	4.9
110.98414	1.3
119.46909	0.5
120.00805	0.8
122.03606	1.7
123.04397	1.6
129.34225	0.7
133.01587	1.7
134.02377	14.9
135.00784	1.5
137.02318	1.9
139.11169	0.7
150.03127	12.1
151.03903	3.7
152.03436	4.9
152.04533	0.8
163.02708	0.7
163.89088	0.6
180.02943	41.3
181.03300	1.4
182.02110	1.5
185.02174	3.2
201.11226	0.7
253.21742	0.8
291.09421	0.6
311.17300	0.8
422.25375	0.7
448.31955	4.7
449.32532	0.7
460.31052	0.8
478.31744	100.0
479.20624	0.6
479.32071	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3176
Annotation	Pingpeimine B
Peak:m/z	Relative Intensity
50.00231	6.4
63.02265	1.0
64.01793	7.0
65.00188	0.7
65.99722	7.8
68.01282	0.6
70.17262	1.5
70.17657	1.1
78.03387	1.4
84.58940	0.5
90.03380	1.7
103.76265	0.5
106.02863	1.2
107.01265	1.6
108.04428	2.0
109.02833	8.8
110.02358	3.4
122.03596	1.7
123.04413	1.7
132.04387	0.7
133.01607	1.6
134.02364	11.6
135.00798	1.3
135.04335	0.6
137.02313	1.2
150.03136	13.1
151.03934	3.3
152.03421	3.2
163.03908	1.1
180.02942	36.3
181.03227	1.6
182.02122	1.1
380.18137	0.6
448.31921	1.8
469.51575	0.7
478.31714	100.0
479.32083	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00236	5.5
54.89916	0.8
63.02274	2.0
64.01793	4.7
65.99727	6.7
73.41937	1.0
73.85927	1.0
78.03358	1.1
90.03349	1.8
94.32343	1.2
106.02896	1.3
107.01241	1.8
108.04453	1.0
109.02833	9.6
110.02333	4.1
115.35754	1.1
122.03581	2.3
123.04442	1.1
124.03931	0.9
125.02342	1.2
133.01543	1.0
134.01462	1.3
134.02380	13.7
135.00774	2.7
137.02354	2.8
139.12619	1.0
150.03127	14.5
151.03841	2.8
152.03444	3.5
179.55992	1.0
180.02954	33.9
181.03287	1.2
182.02049	1.9
319.81470	1.1
390.84219	1.2
448.31894	3.3
478.31720	100.0
479.32034	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.6
58.30007	0.6
59.01241	1.7
69.29442	6.7
78.95773	0.8
109.06472	0.9
122.01382	0.6
123.00771	0.7
135.04332	0.8
137.09625	9.1
155.10681	100.0
156.11005	4.8
171.10164	16.6
181.08617	2.0
189.68967	0.6
199.09685	41.9
200.10051	2.9
217.10756	68.8
218.11142	3.0
255.23280	1.3
258.07513	0.6
277.21719	29.6
278.22049	2.7
321.08517	0.6
340.36374	0.6
477.32120	13.6
478.31891	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03322	2.8
59.01253	100.0
60.01584	2.2
61.01668	1.3
70.33348	1.0
71.00855	1.2
71.01252	20.5
71.58810	1.8
73.02809	8.8
75.00739	1.6
83.01258	3.4
85.02828	8.8
87.00757	1.5
89.02321	9.5
93.03333	7.1
95.01268	2.1
97.02817	1.2
99.00764	2.3
101.02321	15.3
108.02046	2.7
109.02821	3.8
113.02335	10.1
119.03383	3.1
121.02799	1.6
123.04420	1.0
125.02334	0.9
135.04414	9.7
137.02345	1.5
143.03423	1.2
151.03880	1.1
153.01782	1.2
159.02885	1.9
161.02292	1.4
161.04471	9.4
173.04471	3.0
191.05502	2.8
193.08679	1.2
197.11768	1.7
257.04587	8.1
272.06845	3.5
273.07623	2.1
273.20709	2.1
315.08887	1.6
315.12381	6.2
417.24963	23.3
418.25134	3.5
435.25711	2.9
477.13223	1.3
477.25723	1.0
477.30484	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03322	2.8
59.01253	100.0
60.01584	2.2
61.01668	1.3
70.33348	1.0
71.00855	1.2
71.01252	20.5
71.58810	1.8
73.02809	8.8
75.00739	1.6
83.01258	3.4
85.02828	8.8
87.00757	1.5
89.02321	9.5
93.03333	7.1
95.01268	2.1
97.02817	1.2
99.00764	2.3
101.02321	15.3
108.02046	2.7
109.02821	3.8
113.02335	10.1
119.03383	3.1
121.02799	1.6
123.04420	1.0
125.02334	0.9
135.04414	9.7
137.02345	1.5
143.03423	1.2
151.03880	1.1
153.01782	1.2
159.02885	1.9
161.02292	1.4
161.04471	9.4
173.04471	3.0
191.05502	2.8
193.08679	1.2
197.11768	1.7
257.04587	8.1
272.06845	3.5
273.07623	2.1
273.20709	2.1
315.08887	1.6
315.12381	6.2
417.24963	23.3
418.25134	3.5
435.25711	2.9
477.13223	1.3
477.25723	1.0
477.30484	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03322	2.8
59.01253	100.0
60.01584	2.2
61.01668	1.3
70.33348	1.0
71.00855	1.2
71.01252	20.5
71.58810	1.8
73.02809	8.8
75.00739	1.6
83.01258	3.4
85.02828	8.8
87.00757	1.5
89.02321	9.5
93.03333	7.1
95.01268	2.1
97.02817	1.2
99.00764	2.3
101.02321	15.3
108.02046	2.7
109.02821	3.8
113.02335	10.1
119.03383	3.1
121.02799	1.6
123.04420	1.0
125.02334	0.9
135.04414	9.7
137.02345	1.5
143.03423	1.2
151.03880	1.1
153.01782	1.2
159.02885	1.9
161.02292	1.4
161.04471	9.4
173.04471	3.0
191.05502	2.8
193.08679	1.2
197.11768	1.7
257.04587	8.1
272.06845	3.5
273.07623	2.1
273.20709	2.1
315.08887	1.6
315.12381	6.2
417.24963	23.3
418.25134	3.5
435.25711	2.9
477.13223	1.3
477.25723	1.0
477.30484	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81695	0.8
57.03300	2.2
59.01252	34.8
65.00179	1.0
69.03330	4.1
69.30654	0.7
71.01255	13.3
71.04860	2.8
72.99170	1.9
73.02817	9.1
75.00730	1.2
83.01247	2.5
85.02822	4.6
87.00717	2.6
89.02319	9.3
93.03306	1.2
95.01237	1.0
97.06414	1.6
101.02325	12.3
105.06876	0.9
107.01260	1.5
109.02818	1.2
113.02326	5.9
119.03331	2.2
121.02815	1.1
123.07994	1.0
125.02317	1.4
125.09595	1.9
135.04433	4.2
151.00273	6.7
151.11095	2.4
152.01022	1.2
153.01810	1.1
153.12784	1.8
160.68723	0.8
161.02289	1.2
161.04376	3.1
161.09607	4.1
177.01752	2.3
178.99663	2.6
179.03299	1.1
179.10693	8.2
191.05446	3.1
197.11769	98.1
198.12129	4.7
223.09631	1.6
225.14552	0.8
229.04866	2.9
241.10794	8.3
242.10797	1.0
243.02805	1.5
253.09283	7.4
257.09906	0.9
271.02188	1.3
272.03250	16.2
273.04028	6.5
287.01804	1.0
315.01321	1.6
315.17920	1.5
435.21777	1.3
477.19351	100.0
478.19781	9.8
496.92654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40659	4.1
57.03314	4.5
59.01253	100.0
64.30515	4.4
68.99693	4.8
69.03333	5.0
69.44566	43.1
69.57111	4.8
71.01248	40.5
72.97421	6.5
72.99170	30.5
72.99521	4.8
73.02821	13.2
75.00737	25.4
78.86927	4.2
85.02818	19.8
87.00783	6.7
89.02322	45.7
90.01831	12.8
90.98466	13.1
91.00248	61.4
98.19814	11.2
99.00768	6.8
101.02318	26.5
108.02026	7.4
113.02306	18.3
118.97987	7.4
119.03350	13.8
119.97682	4.1
135.04388	9.5
137.02299	6.9
151.03867	5.8
153.09081	9.9
161.04451	10.4
165.05444	7.4
173.04346	5.3
181.04997	8.4
191.05554	10.0
271.09769	7.5
297.16916	9.5
427.24451	5.3
477.10660	5.4
477.24255	22.2
495.51288	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03316	3.0
59.01253	73.6
67.01759	1.2
69.03315	3.6
71.01255	20.4
71.04884	4.5
71.58989	1.7
72.99179	1.8
73.02820	10.4
75.00742	1.5
83.01263	3.8
85.02827	21.8
87.00762	2.4
87.04399	2.0
89.02317	9.1
93.03345	3.0
95.01256	2.2
97.02840	1.1
99.00758	2.3
99.04373	1.0
101.02323	14.3
108.02099	1.4
109.02841	3.7
113.02336	10.4
119.03393	3.2
119.04906	15.0
121.02850	4.5
123.04402	2.4
123.08032	1.6
125.02354	2.3
125.09635	2.7
133.02843	1.1
135.04419	17.6
137.02362	2.4
143.03467	1.1
147.04430	2.1
149.02307	5.3
149.05971	3.7
149.09503	1.0
150.03008	1.5
151.11163	1.5
152.01086	1.7
153.12756	2.5
155.03421	1.1
159.04396	1.3
161.02316	1.3
161.04463	3.5
161.05992	2.3
161.09685	1.7
163.03912	5.6
165.05469	3.2
167.03381	1.8
173.04507	2.3
175.02473	1.3
175.03957	3.7
177.01830	2.7
179.03319	1.5
179.10716	6.6
180.04179	3.8
181.04990	5.1
191.05539	6.1
193.04945	9.0
195.06557	23.8
196.06891	1.0
197.11777	100.0
198.12129	6.1
209.04250	2.2
223.09720	3.3
241.10799	11.4
253.09334	4.9
271.09946	2.7
272.03262	2.7
287.01648	1.2
297.00436	1.5
297.07629	2.4
297.17453	0.9
299.02057	1.2
299.09201	6.2
300.10031	1.3
303.21939	1.2
305.84256	1.1
314.11618	3.7
315.01633	1.3
315.08755	5.4
315.12378	16.1
315.18039	2.3
316.12769	1.0
330.21063	1.0
331.17599	1.4
349.18542	1.2
357.19531	1.1
417.24966	3.5
435.26300	2.1
459.22577	2.6
477.13370	3.3
477.18869	76.4
478.19534	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84634	4.2
59.01254	100.0
59.20987	4.2
65.00237	4.0
71.01247	37.9
71.57912	5.0
72.99181	21.8
73.02815	7.7
75.00746	40.4
83.01279	8.5
85.02823	15.0
87.00779	6.5
89.02328	32.3
90.01840	11.0
91.00241	19.3
93.03372	6.2
95.01238	5.3
96.95882	6.6
97.02842	4.7
99.00740	8.2
101.02309	29.4
104.41786	5.1
109.02785	10.1
111.00726	4.9
113.02344	17.6
119.03389	8.7
126.28676	4.8
131.03436	5.7
133.99147	4.6
135.04428	4.8
139.07535	7.2
140.29330	4.4
149.63223	5.2
151.00311	9.0
153.01817	7.4
161.04478	7.1
164.98190	5.3
165.05608	5.8
173.04477	7.1
179.05481	8.6
191.05542	19.7
213.80383	4.6
250.34741	4.2
271.02402	8.1
477.06650	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.0
65.03836	1.7
67.01756	1.5
69.31101	0.2
69.31421	2.2
71.01265	0.4
73.02805	0.3
77.30720	0.2
81.96056	0.2
85.02836	0.3
89.02293	0.2
91.05409	10.9
93.03342	2.2
101.02337	0.3
105.06975	0.5
107.04984	0.2
107.73601	0.2
109.02837	15.2
110.03159	0.4
117.06988	1.8
121.02843	10.8
122.03548	0.2
123.04419	1.0
134.03642	2.8
135.04416	100.0
136.04755	4.3
137.05998	0.7
147.04420	3.2
148.05205	3.5
149.05988	11.1
150.06293	0.6
153.05472	3.4
159.04425	0.3
160.05211	2.3
161.05988	28.9
161.70241	0.2
162.06291	1.5
163.07564	4.4
165.05481	5.8
166.05907	0.2
167.07080	1.0
175.07565	6.8
176.07947	0.5
177.05635	0.2
179.07056	13.2
180.07382	1.0
191.07076	0.9
193.08638	16.3
194.09029	1.2
197.11739	0.3
236.90906	0.2
248.68761	0.2
254.69501	0.2
263.42468	0.2
297.11322	0.9
315.12384	63.0
316.12704	7.3
373.13068	0.2
380.04495	0.2
408.44113	0.3
477.17603	5.4
478.17804	0.7
492.96964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.4
59.01252	82.7
60.01571	2.0
65.00189	1.2
67.01788	1.4
71.01259	18.3
71.58693	1.8
73.02824	16.5
75.00729	2.6
81.03335	2.2
83.01261	5.4
85.02826	37.5
86.03168	1.5
87.00777	3.2
89.02346	9.6
91.05385	1.6
93.03345	4.7
95.01294	2.3
97.02831	1.5
99.00750	2.1
101.02326	17.0
105.06995	1.5
107.01309	1.7
108.02094	1.4
109.02847	2.6
113.02348	9.1
118.97977	2.6
119.03488	2.5
119.04916	65.1
120.05261	2.4
121.02823	8.7
122.03625	5.6
123.04438	3.1
124.01497	2.1
125.02355	3.7
134.03616	2.7
135.04420	27.9
137.02376	3.6
147.04436	3.6
148.01488	1.7
149.05992	9.5
150.03134	6.5
151.00275	3.3
151.03905	5.1
152.04671	4.6
153.05440	3.7
155.03368	2.9
159.04401	1.9
161.02324	1.9
161.04520	4.3
161.05988	16.7
162.03091	2.6
163.03931	19.9
163.07649	1.4
164.04590	3.4
165.05501	7.1
167.03448	4.0
173.04526	2.4
175.03894	11.9
175.07758	1.2
175.11166	1.9
176.04205	1.9
177.01907	5.6
177.05484	3.4
179.03441	3.3
179.07068	6.6
180.04236	13.4
181.04994	21.2
182.05524	1.7
187.13354	1.6
191.03784	1.2
191.05568	6.1
191.07088	2.2
192.04236	1.3
193.04991	26.6
193.08687	3.0
194.05504	3.5
195.06569	100.0
196.06920	5.2
197.11777	12.1
205.12323	1.6
219.10214	2.8
241.10869	1.7
243.02892	1.2
253.08815	3.6
271.02441	8.9
271.09869	3.7
272.03128	1.3
281.08163	3.7
285.11292	2.0
285.51154	1.3
297.11395	1.6
299.01971	10.4
299.09213	25.1
300.02704	7.0
300.09860	4.5
314.11703	18.2
315.01758	2.4
315.04956	11.8
315.12396	83.6
316.12634	8.5
349.18726	2.0
372.70093	1.3
373.22345	1.7
391.23718	1.9
399.19949	1.5
417.21082	4.3
417.25458	3.5
433.20120	1.5
435.22488	5.4
459.13089	1.5
459.22745	2.9
462.08151	8.5
477.09647	2.8
477.23929	65.8
478.24243	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18872	0.4
65.03835	1.6
67.01738	0.3
69.53198	1.1
69.53635	1.3
71.01233	0.4
77.89215	0.3
91.05408	10.6
92.05724	0.4
93.03357	2.0
100.28978	0.3
106.11659	0.3
109.02837	14.4
110.03194	0.5
114.75370	0.3
121.02851	10.5
122.03680	0.4
134.03688	0.5
135.04419	100.0
136.04747	4.3
137.05981	0.7
147.04398	1.8
148.05199	6.3
149.05911	0.6
159.04425	1.4
160.05222	4.9
163.07573	6.1
167.07019	1.1
175.07561	9.0
175.09023	0.6
193.08635	21.1
194.08925	1.5
252.44879	0.3
271.08597	0.3
273.74191	0.4
297.10001	0.4
315.12384	44.9
316.12665	4.0
385.18021	0.3
466.35703	0.3
477.17633	9.5
478.17850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77275	0.3
56.23785	0.3
60.04945	0.3
65.03828	1.6
67.01756	0.5
69.38125	0.3
69.38327	1.8
69.38747	1.3
75.68118	0.3
76.04103	0.3
91.05415	10.2
93.03352	2.2
98.20493	0.6
109.02840	16.0
110.03178	0.6
115.91074	0.3
118.65087	0.3
119.52505	0.3
121.02847	9.4
135.04420	100.0
136.04762	4.5
137.05974	0.6
147.04439	1.5
148.05225	3.1
149.05992	0.6
159.04434	0.6
160.05226	2.8
163.07555	4.7
164.07944	0.4
167.07045	1.0
175.07578	5.9
193.08653	16.8
194.08998	1.3
194.14555	0.4
299.44196	0.3
315.12390	38.4
316.12744	4.5
348.16418	0.3
421.68695	0.4
436.68298	0.4
444.54117	0.4
477.17761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19134	0.4
52.22308	0.4
55.01755	0.4
57.03315	0.8
59.01250	26.9
65.03835	1.2
67.01763	3.5
69.03368	0.4
69.45512	0.9
69.45914	3.4
71.01254	9.5
72.99177	1.2
73.02814	1.8
75.00739	0.6
77.03849	1.9
83.01258	1.4
83.04894	0.6
85.02815	3.1
87.00758	0.8
89.02310	7.1
89.03838	0.5
91.05408	9.5
92.05762	0.4
93.03320	2.0
99.00740	0.4
101.02327	6.4
108.02071	0.9
109.02855	2.6
111.00735	0.4
111.04400	0.4
113.02333	3.9
117.03378	1.9
118.98027	0.7
119.03383	3.8
120.99523	1.8
121.02866	2.6
122.03574	0.5
123.04405	3.2
125.02333	0.7
131.03363	0.6
133.02859	5.1
135.04413	98.3
136.04755	3.5
137.02304	0.7
142.24034	0.5
149.02350	0.6
151.00223	0.8
151.03839	0.5
152.01041	0.5
153.01816	1.5
153.05475	15.0
154.05809	0.7
161.02350	100.0
162.02684	4.8
163.03905	1.4
165.01875	0.4
173.04460	0.8
175.03862	0.5
177.05484	1.8
178.06207	1.1
178.99738	0.4
179.03398	10.3
179.05580	0.8
180.03755	0.6
187.03809	0.6
191.05507	2.3
193.08592	1.9
195.06525	1.4
197.04480	5.0
203.03214	0.5
205.05022	0.9
235.07643	0.7
257.00888	0.8
261.00171	0.5
269.00839	1.0
279.06628	10.0
280.06921	0.9
287.01886	0.5
287.85046	0.4
292.53253	0.7
293.03256	0.6
293.53561	0.6
297.00400	1.6
297.07669	10.9
298.08041	1.3
299.02072	0.6
301.03452	1.0
315.08664	32.9
316.09073	2.8
323.07660	0.6
459.22232	0.8
463.85443	0.5
477.13956	21.5
477.23340	7.7
478.14407	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03316	1.0
59.01250	30.9
60.01574	1.1
61.01672	0.9
61.98685	0.4
65.03836	1.0
67.01754	3.4
68.35397	0.4
69.03350	0.4
71.01252	6.4
71.58047	0.4
71.58544	0.5
72.99179	0.5
73.02810	2.7
75.00758	0.6
75.70444	0.4
77.03828	1.3
83.01251	1.6
85.02812	3.8
85.21690	0.4
87.00748	1.0
89.02305	3.3
91.05408	11.6
91.05957	0.8
93.03326	3.7
95.01245	0.6
99.00751	0.6
101.02328	4.9
105.03324	0.8
107.04927	0.5
108.02075	0.7
109.02862	2.0
113.02332	3.5
114.02642	0.5
117.03365	1.4
117.07036	0.6
119.03398	1.5
119.04919	0.5
121.02859	2.2
122.03667	0.4
123.04398	3.2
125.02339	0.7
129.01846	0.4
133.02859	3.5
134.03633	0.8
135.04413	100.0
136.04723	3.1
137.02347	2.1
147.04460	0.4
149.02312	0.8
149.05977	1.6
150.03104	0.7
151.00281	0.8
153.05479	19.5
154.05856	0.5
161.02350	68.4
161.05942	4.8
162.02708	2.5
165.05499	0.5
173.04509	0.9
175.03888	0.8
176.03888	0.9
177.05476	0.8
179.03409	9.0
179.05214	0.4
179.05617	0.4
187.03894	0.8
191.05608	2.6
193.04964	0.8
195.06552	1.7
197.02861	0.6
197.04503	4.4
199.97513	0.5
205.05028	1.3
215.03578	0.4
217.29619	0.5
223.07607	0.4
225.05742	0.4
235.07652	0.6
267.06641	1.4
271.02667	0.6
271.09790	0.4
272.03372	1.9
273.03992	0.5
279.06610	11.6
280.07040	1.3
281.06628	2.3
297.07718	11.9
297.11243	1.4
297.16858	0.5
298.08109	0.9
299.01907	0.7
300.02902	0.7
315.08749	30.7
315.12198	1.6
316.09064	2.5
339.08820	0.8
349.66074	0.4
357.09982	0.8
357.18939	0.5
361.31436	0.4
417.24640	1.7
433.23441	0.4
434.24619	0.6
435.25552	0.6
459.12888	7.4
460.13205	0.9
477.13980	13.9
477.23410	6.1
477.29895	0.7
478.14554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
57.03331	1.3
58.00472	1.6
59.01254	100.0
59.84050	0.4
60.01587	5.8
61.01680	2.9
61.56126	0.5
65.03844	0.5
67.01754	3.5
68.57975	0.4
69.41490	4.0
71.01256	23.7
72.01598	0.6
72.67876	0.4
72.99186	1.9
73.02819	3.3
73.41772	0.4
75.00754	0.5
83.01286	2.2
85.02822	6.1
87.00778	1.1
87.35176	0.5
89.02320	19.9
91.05419	6.3
92.97375	0.4
93.03328	1.0
95.01286	2.0
99.00762	0.9
101.02328	16.3
102.02677	0.6
109.02843	1.2
113.02343	10.1
115.42357	0.4
117.03343	1.5
119.03402	9.9
123.04466	0.7
125.02364	0.6
131.03423	1.1
133.02855	4.6
135.04419	64.1
136.04744	3.1
139.76616	0.4
143.03389	1.3
146.01146	0.4
149.04472	0.7
149.05978	0.5
152.01033	0.5
153.05496	0.6
161.02357	99.4
161.04524	3.6
162.02673	3.6
173.04359	0.4
179.03389	2.2
179.05612	2.5
179.06982	0.7
191.05551	0.8
262.59326	0.4
279.06635	14.4
280.07050	0.8
297.07645	10.9
298.07990	1.1
315.10977	6.5
333.26541	0.9
341.08670	0.8
404.19394	0.5
417.24774	0.5
459.12772	1.5
477.13998	13.8
477.23074	0.9
477.29987	2.4
478.14441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60530	0.7
57.03355	0.8
59.01250	10.5
65.03829	1.6
67.01757	2.4
71.01246	3.2
71.38064	1.2
73.02840	0.9
89.02305	2.2
91.05410	11.7
93.03336	4.0
101.02366	1.4
109.02840	2.3
113.02338	2.0
121.02842	2.4
123.04424	3.1
133.02840	3.2
135.04413	100.0
136.04756	4.8
153.05487	20.3
154.05833	1.2
161.02354	61.3
162.02696	3.3
163.18484	0.8
173.04379	0.7
175.03954	0.8
179.03419	8.2
191.05501	2.4
197.04514	3.2
206.17259	0.9
235.07693	0.9
267.06622	1.4
279.06641	16.4
280.07013	1.6
297.07675	16.1
297.16858	1.3
315.08737	33.9
316.09183	2.2
339.08826	0.8
344.48532	0.8
357.09824	0.8
422.03784	0.9
459.12958	17.5
460.13174	2.8
477.13800	10.2
477.23212	3.4
478.14401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01252	0.4
69.25980	3.6
69.26391	1.1
78.95776	31.8
96.96830	2.3
140.01082	2.4
148.32584	0.3
152.99504	5.1
171.00563	3.8
195.90079	0.4
196.03706	1.0
214.04771	3.1
279.23285	100.0
280.23642	11.3
316.55487	0.4
410.67746	0.4
476.27805	20.7
477.28232	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62501	0.6
55.01748	2.2
57.03316	1.6
58.00478	0.7
59.01252	35.9
60.01584	0.8
69.03320	1.4
71.01251	15.5
72.99168	2.1
73.02811	3.8
78.95778	1.8
83.01266	3.8
85.02822	7.1
85.99952	0.6
87.00767	2.6
89.02306	1.9
95.01254	1.6
96.95884	0.5
97.02835	1.0
99.00773	2.0
101.02314	8.4
110.98370	1.0
111.00828	0.6
112.01589	0.8
113.02313	2.6
124.01553	1.5
125.02305	1.7
142.44633	0.5
143.03340	0.6
151.11168	0.9
163.11136	0.7
185.02086	0.5
191.05635	0.5
191.14259	0.6
191.40622	0.6
209.11708	3.4
225.22112	0.6
245.19049	1.7
253.21693	2.4
269.21167	0.5
271.22766	35.7
272.23096	2.6
283.22925	0.8
285.24338	0.9
289.18060	2.3
307.19101	1.8
313.23807	1.0
415.26999	22.0
416.27133	2.6
419.52097	0.6
426.77408	0.5
433.28033	55.0
434.28381	6.8
475.29089	100.0
476.29459	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.3
56.15670	0.2
58.89797	0.3
59.01254	100.0
60.01590	1.1
69.88960	0.6
69.89375	1.1
71.01254	2.0
71.04868	0.3
72.99195	0.3
73.02835	0.9
83.01277	0.3
85.02843	0.9
87.00743	0.4
87.11380	0.2
89.02345	1.0
93.03333	0.5
101.02312	1.4
113.02348	1.1
133.02893	1.0
135.04364	0.5
137.02356	0.6
156.04591	0.3
179.03297	0.3
189.12503	0.3
191.05597	0.9
205.07153	0.3
221.11696	0.3
226.82819	0.3
247.58337	0.3
313.10785	0.8
373.22214	0.6
415.23590	0.6
433.24692	1.1
475.24887	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
57.03338	0.2
59.01254	100.0
60.01588	1.5
61.01683	0.4
69.58712	1.2
71.01251	3.0
73.02824	1.2
83.01275	0.6
83.04922	0.4
85.02832	1.8
87.00735	0.2
89.02319	0.7
90.63844	0.2
93.03310	0.2
95.01286	0.3
99.00774	0.2
99.04414	0.3
101.02329	2.1
108.54114	0.2
109.02831	0.2
109.08737	0.2
113.02340	2.1
119.03456	0.3
119.04957	0.4
121.02881	0.4
125.02366	0.3
134.89288	0.2
135.04413	1.4
143.03377	0.3
147.04413	0.3
149.05992	0.5
151.00259	0.8
159.02966	0.3
161.04514	0.7
171.13759	0.2
173.04445	0.2
191.05545	0.4
221.11603	0.2
271.06204	0.9
271.09875	0.7
271.19281	0.3
331.25031	0.7
355.21289	0.2
373.22299	0.6
415.23416	1.3
433.24701	0.5
475.29703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86716	0.5
55.01758	0.9
57.03324	1.6
58.00468	1.1
59.01252	100.0
60.01580	0.7
61.52215	0.5
65.00214	1.8
69.03329	0.6
69.27139	2.3
69.27560	4.8
71.01254	28.3
72.99194	1.7
73.02820	11.8
75.00771	0.6
83.01254	4.4
85.02822	11.4
85.03296	1.0
87.00766	1.8
87.04397	1.6
89.02313	17.5
89.02824	1.2
90.02718	0.6
93.03356	0.8
95.00736	0.6
95.01238	3.4
97.02785	0.7
98.20583	1.3
99.00784	2.4
101.02323	15.7
102.02686	0.7
107.01278	2.5
109.02864	0.8
113.02335	22.0
119.03387	6.3
124.01576	1.1
125.02336	2.9
131.03391	1.7
135.04402	1.2
143.03419	1.6
151.00275	4.3
152.01077	1.9
159.10248	1.1
161.04494	5.8
178.99757	1.7
179.05542	3.4
191.05585	2.1
217.96454	0.7
269.00879	1.2
271.19049	0.7
284.40372	0.6
292.02997	6.8
292.53317	2.1
357.57544	1.5
373.05740	3.3
373.55957	1.0
375.05026	1.0
403.04861	1.8
415.23453	7.3
416.23782	0.7
431.04175	0.8
433.24481	4.0
475.21768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
55.03839	0.4
57.03328	1.3
58.00476	1.1
59.01250	100.0
60.01584	1.2
69.03321	0.9
71.01254	19.6
72.01593	0.6
72.99194	1.2
73.02812	6.0
75.00741	0.5
81.03335	0.8
81.73754	0.4
83.01254	3.0
85.02824	7.3
87.00758	1.9
87.04391	1.1
89.02319	12.2
93.03317	0.5
95.01274	1.6
97.02796	0.8
99.00768	1.6
99.04421	1.6
101.02321	13.3
101.05975	1.3
102.02681	0.4
109.02861	1.1
113.02328	11.7
118.92216	0.4
119.03394	4.5
125.02368	2.1
129.01816	0.4
131.03406	0.7
135.04448	0.7
143.03371	2.8
149.02379	0.5
157.07675	1.5
159.04477	0.8
161.04471	5.3
173.04640	0.6
179.05528	2.0
191.05464	1.0
219.07654	1.2
255.02934	1.0
271.06415	0.4
271.19141	0.8
281.04529	0.5
285.03647	0.4
295.09778	0.5
312.02975	0.6
313.10953	0.7
315.18362	1.2
327.36859	0.5
397.22806	0.5
415.23444	4.6
416.23892	1.0
433.24582	4.0
434.24969	0.8
475.09753	0.8
475.22153	3.9
475.28601	0.6
476.22653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51286	1.2
51.79201	1.2
57.03332	1.4
59.01258	50.8
71.01250	10.3
71.37867	3.0
72.47399	1.5
72.99183	1.9
73.02824	2.1
83.01241	1.7
85.02828	4.0
87.00778	3.0
87.43168	1.5
88.00275	2.6
89.02328	8.2
96.95869	2.2
101.02321	5.9
113.02340	4.4
119.03404	1.9
135.04391	1.6
137.02313	1.6
140.86545	1.6
146.03641	28.9
147.04335	2.4
161.04549	3.0
161.05988	12.1
164.04718	23.2
164.06049	0.9
179.07065	100.0
180.07390	6.0
181.08638	1.6
191.05615	1.5
227.17198	1.3
233.11818	2.7
236.59183	1.4
267.02994	5.8
269.08115	1.7
277.10724	1.8
285.04144	2.0
294.98984	1.4
295.02490	4.2
327.98956	1.5
446.76221	1.4
475.08426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1615
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
52.86884	0.2
57.03317	0.6
59.01253	17.6
60.01584	0.3
60.21510	0.3
60.24491	0.2
65.03836	1.7
67.01747	0.4
71.01254	3.2
71.50673	0.4
73.02830	1.0
78.95792	0.3
83.01266	0.6
84.87772	0.3
85.02817	1.7
87.00729	0.3
89.02330	0.9
91.05411	10.8
91.49364	0.3
92.05754	0.4
93.03334	3.1
95.01249	0.4
96.95921	0.3
99.00743	0.4
99.04379	1.7
101.02316	2.1
107.04948	0.4
109.02842	13.6
110.03154	0.4
111.00764	0.3
113.02326	1.4
118.97978	0.4
119.04911	0.3
121.02848	11.0
122.03680	0.3
123.04391	0.5
125.02363	0.5
133.02879	0.4
133.55515	0.2
135.04417	100.0
136.04749	3.8
137.02351	0.4
137.05957	0.7
147.04420	2.7
148.05211	8.2
149.05908	0.3
161.02354	0.7
161.04480	0.9
163.07558	5.9
165.05473	1.1
165.09355	0.3
173.04459	0.8
176.04745	2.5
177.05405	0.3
191.05629	1.0
191.07072	19.4
192.07402	0.8
219.07814	0.5
267.90628	0.2
271.13696	0.3
297.09637	0.3
313.10818	55.2
314.11154	5.4
323.05817	0.3
358.62070	0.3
374.91553	0.3
375.23972	0.3
415.27072	0.7
433.28046	0.6
457.27927	0.5
475.16141	2.1
475.25214	1.3
475.30115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1246
Annotation	Scutellarein 6,7-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
57.03329	0.7
59.01252	36.4
60.01582	2.4
61.01667	1.5
63.02266	2.6
65.00192	6.7
66.36018	0.3
71.01251	4.4
71.35217	0.4
71.35532	0.5
73.02817	1.7
83.01256	5.3
85.02824	2.5
87.00760	0.7
89.02322	2.0
93.03334	8.7
95.01247	0.6
96.55283	0.3
99.04369	0.5
101.02294	2.9
103.01855	0.4
107.01267	12.8
108.02109	0.4
109.02828	0.8
113.02321	2.4
119.03452	1.1
119.04913	37.0
120.05238	1.4
121.02834	0.9
125.02322	1.3
131.01280	0.4
135.04457	0.6
143.04976	0.4
145.02888	0.7
149.02446	0.4
151.00273	39.1
152.00636	1.4
161.02374	0.5
161.04430	0.7
162.05499	0.6
164.01065	1.1
165.01851	2.3
169.01329	2.1
173.04565	0.5
175.00291	0.9
177.01848	5.0
185.05969	0.7
187.03967	1.0
191.05537	4.4
193.01262	1.0
221.11755	0.7
227.07202	0.7
237.39713	0.4
239.12785	0.5
270.04572	0.4
271.06107	100.0
272.06439	8.5
295.06058	0.7
313.07248	2.0
325.07083	0.4
331.24838	0.6
344.03677	0.4
415.10477	1.0
415.23325	2.4
416.10034	0.4
433.24319	1.0
475.11945	2.2
475.22229	0.6
475.29001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16552	0.5
59.01247	2.0
69.34843	4.0
69.35255	0.8
78.95777	35.0
80.09631	0.5
82.50179	0.5
96.96819	0.6
98.19759	0.5
122.00047	1.3
140.01071	6.5
145.94160	0.5
152.99481	3.0
171.00542	1.4
196.03732	13.1
213.64177	0.6
214.04790	2.7
227.50056	0.5
259.20694	0.6
277.21716	100.0
278.22073	11.5
309.01089	0.6
474.26221	23.7
475.26590	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.5
69.26817	0.6
69.27033	2.7
69.27450	2.4
78.38023	0.5
78.53098	0.5
78.95776	100.0
96.96848	7.6
140.01091	1.0
152.99492	18.6
153.00754	1.0
171.00555	18.9
174.76779	0.5
214.04849	1.9
234.15088	0.6
277.21710	44.3
278.22064	5.4
310.76685	0.5
318.94080	0.5
323.59732	0.4
400.22504	1.6
474.26254	57.2
475.26572	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3269
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.01250	7.0
59.69576	0.9
69.03334	1.6
70.22089	3.8
98.20494	1.0
109.06476	14.8
135.29739	0.9
145.64211	0.9
163.11339	0.8
219.11537	0.9
221.37456	1.0
261.70328	1.0
263.64468	0.9
305.24747	1.3
357.31641	8.2
385.34778	2.5
409.83130	0.9
411.32590	2.1
413.30649	2.9
429.33694	11.3
430.33810	2.1
462.12985	0.9
473.32721	100.0
474.33051	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90635	0.5
51.90904	0.6
59.01253	100.0
60.01599	1.2
61.98701	0.7
64.19488	0.6
64.54949	0.6
71.01254	8.2
71.58102	0.7
71.58487	0.6
72.99191	1.5
73.02809	3.7
83.01265	1.3
85.02825	2.3
89.02312	5.3
93.03352	1.0
96.95909	0.9
99.00780	1.4
99.22989	0.7
101.02327	8.3
102.37347	0.7
109.02866	0.7
113.02317	3.2
119.03427	2.8
125.02391	1.2
128.83789	0.6
135.04417	1.3
143.03432	0.8
149.04512	0.6
161.04533	2.0
179.05556	0.8
191.05629	1.7
211.37434	0.8
237.14957	1.1
293.21252	1.0
350.03201	0.6
371.20740	4.3
413.21744	1.7
473.27719	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65074	0.3
59.01250	100.0
60.01594	0.8
61.11191	0.3
69.81125	0.9
69.81535	1.2
71.01268	0.6
82.74677	0.3
85.02881	0.6
88.25071	0.4
98.19819	0.7
100.12364	0.3
101.02330	0.5
113.02400	0.3
216.32779	0.4
264.27048	0.4
294.69147	0.4
353.19791	0.7
371.20859	1.5
413.21686	0.5
425.91537	0.4
436.74747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13835	0.3
54.78671	0.3
59.01251	100.0
60.01589	1.2
61.23435	0.2
64.82063	0.3
69.49264	2.2
70.41125	0.3
71.01257	1.2
73.02831	0.6
83.01291	0.3
85.02834	0.5
89.02328	0.8
101.02330	0.9
102.67876	0.3
110.37891	0.3
113.02349	0.8
121.36939	0.3
161.04480	0.4
191.05457	0.5
413.22110	0.4
416.13373	0.3
457.51605	0.3
473.23740	0.5
474.17081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01586	1.0
69.35440	2.7
69.35851	0.5
71.01251	1.9
72.99201	0.4
73.02821	0.5
75.78747	0.3
79.59677	0.3
81.45235	0.3
83.01308	0.3
85.02811	0.7
87.00758	0.3
87.48895	0.3
89.02338	0.7
90.31433	0.3
93.03341	0.8
95.01262	0.3
101.02340	1.1
113.02345	0.6
135.04430	0.6
140.62372	0.3
141.81937	0.4
143.96353	0.3
161.04477	0.4
173.04536	0.5
191.05612	0.5
191.14400	1.0
237.11314	0.5
293.17419	0.3
455.26773	0.5
473.27588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01252	100.0
60.01585	1.5
71.01254	4.6
71.58282	0.9
72.99197	0.8
73.02816	3.3
73.83298	0.5
78.25557	0.5
83.01286	1.2
83.04938	0.8
83.85191	0.6
85.02842	2.0
87.00768	0.6
89.02331	1.3
93.03326	0.8
96.95899	0.5
99.00781	0.8
101.02319	2.6
109.02860	0.7
113.02378	2.2
119.03491	0.6
121.02855	0.5
132.32993	0.5
135.04451	0.7
137.02440	0.7
147.04285	0.5
161.04486	0.7
173.04572	0.6
191.05600	1.3
206.42667	0.6
218.14734	0.5
231.24199	0.6
249.11531	0.5
291.02573	0.5
293.17691	1.1
306.91541	0.5
311.13409	0.6
312.14038	0.5
319.04645	0.6
473.27658	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01582	0.7
69.57388	0.3
69.58033	2.1
71.01273	1.1
71.95808	0.4
73.02829	0.5
74.20261	0.3
101.02354	0.5
113.02325	0.5
138.85280	0.3
139.33952	0.4
211.23438	0.3
405.69931	0.4
417.90479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98032	0.9
61.98714	1.5
70.02613	4.4
78.95782	1.4
90.35390	1.0
98.19811	1.2
130.48000	0.9
135.32613	0.9
137.09637	1.2
162.83775	1.0
217.00356	1.2
473.28152	5.7
473.36795	1.9
489.77246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21659	0.6
55.01759	5.8
57.03320	5.1
58.00462	1.4
59.01251	100.0
60.01588	0.9
66.46935	0.6
69.03326	1.2
71.01254	57.4
72.01595	0.7
72.99195	2.8
73.02819	19.6
75.00759	1.5
81.03326	0.9
83.01260	12.1
85.02821	32.7
86.03140	0.7
87.00750	4.3
89.02313	22.3
95.01250	4.6
96.96826	1.1
97.02859	2.3
99.00758	7.5
101.02322	64.5
102.02695	1.3
113.02328	25.6
114.02676	1.3
117.57706	0.6
119.03414	7.1
125.02368	2.6
128.08504	0.6
131.03372	1.4
135.04404	2.0
138.01883	1.5
143.03383	4.4
151.03928	1.5
152.01096	1.0
153.01851	0.9
159.02849	4.1
161.04469	19.6
173.04462	1.2
179.03429	2.7
179.05568	2.3
191.05582	2.8
216.40352	0.8
268.03790	2.2
269.10300	19.9
270.10727	1.3
273.87958	0.8
311.11307	4.5
431.15579	51.4
432.15939	5.7
473.10916	1.3
473.16962	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10646	0.9
53.61678	0.8
55.43350	0.9
58.34789	0.8
59.01259	5.6
63.81306	1.0
67.18936	1.1
68.05487	0.9
69.44855	0.9
70.05969	4.9
71.01253	2.5
73.02828	1.2
75.00724	1.0
83.01270	3.5
85.02788	1.0
87.00764	1.1
89.02311	2.0
93.03294	1.3
96.95860	1.3
97.02840	1.0
99.00754	1.8
100.19971	1.0
107.04893	1.1
109.02830	41.8
110.03200	1.1
111.00762	27.8
113.02247	1.0
121.02824	3.1
123.00690	0.9
123.04428	2.6
135.04410	28.4
136.04756	1.4
137.02251	0.9
139.03893	2.2
147.00749	0.9
147.04404	2.7
149.02374	3.4
149.05989	8.8
150.03096	1.2
151.03957	1.9
159.04431	3.0
161.02342	1.6
162.03116	6.1
163.03871	3.6
165.05449	3.3
175.03946	6.8
176.04648	3.6
177.05492	40.4
178.05836	1.8
179.03427	3.5
179.07011	1.1
189.05453	2.2
191.03435	4.6
191.05467	2.0
193.04974	1.4
201.05521	1.6
203.03384	3.4
219.03003	7.9
219.06535	7.1
221.04501	100.0
222.04817	7.4
249.07715	1.3
263.05731	3.4
266.13174	1.1
267.08728	2.6
293.06638	4.2
311.07700	86.5
312.08093	6.2
383.09793	6.8
473.13007	18.1
474.13266	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.312
Annotation	Comnostin D
Peak:m/z	Relative Intensity
59.01004	2.2
59.01252	25.7
71.06958	3.3
71.07318	2.1
78.95772	2.5
85.02804	1.7
90.95412	1.7
97.78089	1.6
128.29724	1.6
189.89182	1.5
204.35974	1.5
272.99136	1.5
297.74045	1.6
304.45297	1.4
403.57928	1.7
411.28912	4.8
471.31021	100.0
472.31558	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96777	2.8
54.10287	2.5
59.01249	8.7
71.55737	3.8
83.94314	3.2
89.02323	3.3
96.95910	3.5
109.02846	23.1
111.00793	10.0
113.23069	2.6
119.27741	3.1
126.10163	2.9
135.04428	23.4
147.04454	4.9
149.06000	20.7
159.04395	3.7
161.05995	9.2
162.03119	5.8
163.03899	5.8
165.05463	7.7
171.04456	5.4
174.03152	4.7
177.05511	77.3
178.05852	7.0
188.04684	3.3
189.05515	98.3
190.05862	6.3
207.06612	17.1
221.04539	56.0
222.04843	3.3
231.06601	5.0
249.07637	5.9
267.08807	6.5
311.07730	100.0
312.08078	6.9
351.10486	3.6
352.29785	2.9
452.81488	3.4
473.13022	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
57.03316	3.5
58.00454	3.0
59.01252	62.5
59.92309	1.3
61.98714	1.8
69.03333	1.8
71.01255	37.8
71.58363	2.0
72.99193	3.8
73.02824	4.8
76.42300	1.3
83.01282	2.5
85.02831	8.1
87.00755	2.0
89.02321	28.4
93.03368	1.5
95.01269	3.2
97.02847	1.4
101.02322	21.8
107.08527	9.0
113.02326	9.4
119.03403	12.1
121.02837	1.8
125.09674	2.5
131.03479	1.4
135.04359	1.5
137.09708	1.9
139.11194	7.6
142.21573	1.2
171.10182	5.0
173.04436	1.8
191.05634	3.0
199.13332	5.9
201.11227	1.9
202.91394	1.3
237.96529	1.3
242.94272	1.3
247.20779	2.1
251.10875	1.4
289.15121	1.6
291.19662	100.0
292.20041	8.2
293.21112	3.5
299.01935	2.9
309.20746	18.7
310.21210	2.0
333.21024	2.6
396.95963	1.7
468.23615	1.7
471.26007	49.5
472.26599	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01252	100.0
60.01599	1.2
69.88045	2.3
71.01260	2.7
73.02824	2.7
81.31640	0.4
83.01243	0.6
84.63135	0.3
85.02843	1.0
87.00780	0.4
89.02335	1.0
93.03355	1.2
96.95924	0.5
99.00786	0.8
99.04406	0.4
101.02309	2.5
107.04948	0.4
113.02332	1.4
113.05993	0.4
119.03439	0.5
119.04922	5.5
120.05264	0.4
135.04485	0.4
148.06551	0.4
150.11664	0.3
161.04524	0.4
171.10228	0.6
189.09148	4.8
191.05511	0.7
203.10678	2.5
241.31732	0.3
267.06671	0.6
291.19772	1.1
309.14963	2.5
309.20901	1.6
336.37866	0.4
429.24997	0.4
471.26157	2.0
471.33374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52465	0.3
59.01253	100.0
60.01591	1.4
69.33876	3.1
71.01263	2.5
73.02818	3.2
83.01245	0.6
85.02826	0.9
89.02326	1.3
98.20610	0.6
101.02334	3.6
113.02339	2.2
119.03362	0.6
119.04932	0.5
127.99422	0.3
131.03441	0.5
149.04475	0.6
161.04477	1.3
183.46193	0.3
261.34186	0.3
400.45496	0.4
476.09692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
55.62611	0.2
57.03325	0.3
59.01252	48.8
60.01586	0.6
65.90535	0.2
66.19164	0.3
67.01775	0.4
68.33739	0.3
69.03331	0.3
71.01252	3.9
71.58840	0.4
73.02821	2.8
75.00774	0.3
75.77331	0.3
83.01267	1.0
85.02831	1.5
87.00720	0.3
89.02326	1.6
93.03349	1.0
96.95876	0.3
97.02853	0.3
99.00764	0.7
101.02326	3.4
109.02861	1.0
109.06476	2.8
113.02344	1.7
119.03396	0.8
121.02827	2.1
121.06464	0.3
123.04433	0.3
125.02266	0.4
129.84920	0.3
133.02840	0.4
135.04401	0.9
137.02327	0.8
137.06015	0.4
139.03841	0.5
149.05995	0.3
157.02922	0.5
161.02357	0.3
161.04469	0.7
173.04468	0.9
179.03442	0.3
182.02403	0.3
191.05542	1.1
193.05070	0.2
197.05913	0.6
199.03947	1.6
207.13882	0.5
212.04727	0.4
225.05515	6.0
226.06299	8.7
227.06584	0.8
240.04221	0.8
241.05005	0.8
249.15031	0.6
253.05037	5.2
254.05804	15.9
255.06168	1.4
256.97815	0.2
265.05093	1.0
265.12216	0.7
266.05692	0.6
267.06573	0.5
268.07303	0.3
286.04837	2.0
288.11768	0.3
291.16217	0.3
291.19748	0.5
308.10361	0.3
309.11313	100.0
310.11676	10.6
310.15256	0.5
327.21481	0.4
374.06171	1.0
429.25018	0.3
471.25803	1.8
492.82257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.5
59.01250	46.0
63.03694	1.0
69.03327	1.1
71.01252	9.8
71.58579	1.7
72.99173	4.1
73.02821	7.3
79.62924	0.9
81.03333	1.2
83.01262	2.2
83.04897	3.1
85.02811	5.8
87.00743	0.8
89.02313	4.7
93.03345	2.5
95.01262	2.3
101.02327	8.3
108.02054	54.9
109.02854	29.5
109.06456	1.5
111.08043	22.4
113.02322	3.5
119.03449	1.0
121.02874	1.2
125.06010	1.4
125.65925	0.9
128.03432	7.5
130.08656	1.3
133.02869	1.0
135.04393	2.3
151.03871	1.9
152.01060	70.5
153.01849	25.5
153.09143	1.2
154.02110	1.1
161.04486	1.8
161.05838	0.9
164.74603	0.9
173.08107	12.2
187.09671	1.1
191.05603	3.5
194.94492	1.0
197.08133	2.5
197.12935	1.5
201.11240	1.1
205.12294	2.2
207.10217	1.0
221.08115	1.2
232.67891	1.2
241.11894	2.8
249.14931	1.9
252.02892	1.4
253.08749	1.1
257.10382	3.3
279.35071	1.0
286.81796	1.1
315.07187	1.8
323.17297	1.2
390.78912	1.0
411.20474	1.4
427.16101	3.2
429.21198	1.4
454.19727	1.0
471.15125	100.0
471.22446	8.5
472.09213	1.6
472.15442	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1143
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
56.24755	0.3
56.55555	0.3
59.01253	0.5
67.14006	0.4
69.49342	3.0
89.03855	2.2
96.95897	0.6
105.03340	4.1
113.91679	0.3
133.02853	9.4
134.03175	0.4
149.02365	1.6
153.05527	0.4
170.46725	0.3
177.01859	100.0
178.02220	4.7
191.05557	1.0
221.72192	0.4
252.65874	0.4
254.92291	0.4
332.49280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03322	2.4
58.00480	1.4
59.01253	100.0
61.78113	1.0
64.44437	0.8
67.01767	1.0
67.42197	1.1
68.17469	0.9
69.03322	3.1
69.25945	10.8
71.01254	62.8
72.01565	1.3
72.01991	0.8
72.99195	2.7
73.02821	74.8
74.03165	2.1
83.01257	23.2
85.02838	8.1
86.51025	0.9
87.00735	1.4
89.02313	11.6
93.03332	4.3
95.01256	1.7
97.02863	1.5
98.20584	1.9
99.00764	3.5
99.04453	1.3
101.02325	65.2
102.02639	1.2
104.49288	1.0
108.02100	1.6
108.25187	1.1
109.02853	1.1
111.04379	1.0
113.02332	14.2
119.03403	4.1
122.03661	1.2
124.12187	1.1
125.02320	2.6
131.03371	3.6
133.02808	1.4
135.04396	2.2
137.02328	2.7
143.03378	3.8
143.04491	1.4
147.04410	1.8
149.04500	2.0
150.03117	0.9
155.03404	2.1
161.04457	9.2
162.06750	3.2
173.04514	2.9
177.09116	7.8
179.23184	0.9
191.05507	2.8
193.08614	0.9
195.10124	1.6
211.09544	1.2
235.03912	2.1
247.13293	8.6
263.03516	3.5
264.04282	10.1
265.05035	29.7
265.14429	1.7
266.05392	2.3
289.14526	1.6
289.24911	0.9
294.91025	0.8
307.09674	1.7
339.14496	0.9
409.18649	2.6
427.19583	5.7
451.14880	1.5
469.20752	67.3
469.31821	4.0
470.21201	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	66.4
58.03660	1.4
59.01250	9.9
70.80435	1.3
71.01248	4.4
73.02811	2.0
83.01254	1.5
85.02812	1.7
92.24334	0.7
93.03329	1.0
99.04400	39.2
100.34824	0.6
101.02319	11.6
102.02745	0.6
113.02343	1.9
125.02341	15.5
126.02653	0.6
127.91341	0.6
143.03406	0.7
147.04456	0.8
148.05208	100.0
149.05536	4.4
155.30618	0.6
159.02963	0.7
161.04457	4.5
163.07567	83.9
164.07881	3.6
188.64078	0.5
191.05630	0.8
220.68640	0.5
233.83086	0.6
239.30009	0.6
286.66837	0.6
469.15820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	4.8
57.03309	8.1
59.01248	15.1
61.00902	2.8
62.69303	2.3
68.99675	9.4
69.43401	14.4
69.43800	5.8
71.01259	34.9
72.99187	16.4
73.02814	4.3
74.36383	1.8
75.00739	6.1
75.02451	7.7
81.47618	2.1
83.01259	22.1
85.00885	6.8
85.02824	13.0
86.86300	1.7
87.00729	9.0
88.98680	7.3
98.19734	4.0
99.00755	38.7
99.02489	2.9
99.99628	2.2
100.98688	2.5
101.02319	6.5
103.00249	3.3
111.00771	41.3
112.98695	94.1
114.98320	6.4
115.00269	14.6
115.01955	3.6
115.03876	1.9
117.01820	9.5
124.77213	2.1
124.98663	2.4
127.00272	3.0
127.06411	2.0
128.03419	6.4
129.01828	22.8
139.03896	7.5
142.99753	19.9
143.01476	4.9
145.01328	99.6
146.01721	4.3
150.98930	2.4
154.99643	2.0
157.01285	3.9
161.04565	2.2
165.01855	3.1
171.00932	10.6
173.00829	28.1
187.02429	6.5
188.02840	2.3
195.06647	4.4
203.03522	3.2
205.03450	7.8
225.07626	3.7
231.03143	7.8
248.63165	2.1
263.05804	65.7
264.06268	2.4
273.04181	2.2
333.06454	3.2
359.03983	3.0
365.08789	4.8
391.06979	6.2
409.08002	5.5
451.08847	10.5
469.10092	100.0
470.10513	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15929	3.8
57.03305	5.9
57.07177	4.2
59.01248	18.5
68.99693	6.1
71.01253	37.9
71.16793	3.6
71.24229	8.4
72.99185	14.3
73.02796	3.8
75.00732	6.9
75.02451	5.4
78.74058	3.5
79.94221	4.4
80.08337	3.8
82.58768	3.4
83.01282	18.2
85.00896	4.1
85.02821	13.0
87.00747	3.5
88.31580	3.6
89.02323	7.0
94.52013	3.7
96.96850	4.3
99.00760	28.6
101.02312	7.2
111.00768	42.8
112.98686	77.9
112.99430	7.1
113.02343	4.9
114.98349	6.5
115.00256	16.6
117.01835	5.2
124.98655	3.7
127.00332	4.6
129.01825	31.2
142.99750	21.5
143.01347	4.1
145.01344	88.4
157.01357	5.8
171.00954	5.5
173.00842	28.8
177.22498	4.2
199.00516	5.8
205.03522	8.4
231.03140	14.9
245.04599	4.9
263.05746	59.0
264.06009	4.2
341.10748	8.9
391.06659	3.7
393.08264	3.7
440.85861	3.6
451.09186	5.4
469.10031	100.0
470.10458	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.7
60.46908	1.4
69.95761	1.6
78.95770	52.3
78.96210	3.0
91.41686	1.5
96.96815	4.6
98.19771	4.2
123.43739	1.4
127.80090	1.5
152.99486	68.9
167.01094	1.7
171.00554	19.7
196.96568	1.7
222.03365	1.6
227.03238	5.8
239.20117	92.9
240.20477	7.2
245.04277	100.0
246.04521	2.6
274.49872	1.7
276.27405	2.0
464.67245	1.7
467.24121	42.7
468.24286	4.8
484.58270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95074	1.0
57.03331	1.3
59.01259	10.6
60.76851	1.1
64.06392	1.1
64.47523	1.0
69.44730	9.6
71.01257	3.6
72.99191	14.0
75.00755	8.8
76.41617	1.2
85.02793	1.2
87.00760	3.3
89.02327	1.3
93.03331	6.0
101.02346	1.6
109.02855	1.9
111.04453	1.3
113.99487	9.1
121.02850	1.3
122.53432	1.1
134.03650	1.0
135.02890	2.2
135.04428	2.2
137.02390	1.8
155.19608	1.2
156.00627	1.7
161.09581	1.8
173.04478	7.0
174.01620	100.0
175.01939	2.5
191.05511	6.3
219.93950	1.1
228.93529	1.0
275.20120	2.1
277.21805	3.2
287.20291	1.3
305.21271	1.7
331.19107	2.4
347.18549	2.9
349.20181	6.1
367.21207	2.3
389.19788	2.1
443.96747	1.4
449.21536	1.4
467.15234	1.2
467.22424	1.4
467.29697	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.6
63.17254	0.7
64.20503	0.6
69.26072	2.5
69.26486	4.9
72.99180	11.9
74.89846	0.6
75.00748	7.3
83.01262	1.7
83.91099	0.6
106.26569	0.8
113.99474	8.1
135.02882	2.6
145.89337	0.8
156.00520	2.2
161.09677	1.5
174.01611	100.0
175.01987	2.6
275.20212	3.1
277.21738	1.9
283.63153	0.7
284.55801	0.7
287.20328	0.9
305.21191	1.7
331.19101	2.8
347.18607	2.9
349.20105	5.3
389.19791	1.6
449.21652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64833	0.4
51.69765	0.5
59.01244	1.0
59.68002	0.4
69.26198	3.0
69.26625	2.6
72.99180	9.3
75.00747	5.7
83.01265	1.5
87.00748	0.5
99.00745	0.8
113.99474	7.9
135.02885	1.8
156.00514	2.8
171.10219	0.9
174.01614	100.0
175.01968	4.4
275.20224	1.7
277.21613	1.4
287.20215	0.8
305.21262	1.1
331.19159	3.0
347.18518	3.3
349.20157	4.0
367.21329	1.2
389.19852	1.1
407.20633	1.2
449.22119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43060	2.5
59.01245	4.9
63.73980	2.3
71.01261	2.9
72.99193	26.1
75.00746	11.7
83.01273	3.6
87.00740	3.2
88.25299	2.4
99.00765	4.3
112.98706	6.4
113.99490	6.8
115.00255	8.0
133.46750	2.4
135.02910	13.8
139.11218	4.9
142.99783	13.6
156.00569	3.4
173.00896	4.8
174.01617	100.0
175.02289	8.1
176.38812	2.8
185.11655	3.7
195.12010	2.5
197.92973	2.9
199.13315	9.8
244.58470	2.4
275.20255	3.5
293.21222	11.3
305.21243	19.7
327.19690	4.7
331.19208	6.9
345.20682	7.0
349.20123	10.3
357.14441	2.6
369.56253	3.1
371.18674	9.7
387.21677	3.4
407.20914	3.4
449.21771	9.3
467.22983	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00389	1.1
59.01258	7.4
71.01272	1.8
71.58160	2.1
72.99187	16.7
75.00747	23.0
83.01246	1.6
89.02322	1.6
93.03329	1.8
96.95886	3.4
97.02801	2.2
99.00758	2.3
112.98685	1.5
113.99472	27.3
116.92731	3.0
135.02882	15.0
139.11148	1.8
142.99738	1.5
156.00511	1.4
161.09569	2.2
173.04459	2.1
174.01614	100.0
174.43663	1.2
175.02017	2.6
191.05479	2.1
275.20227	8.0
277.21588	2.7
287.20081	1.7
293.21237	2.7
305.21198	4.4
309.10034	1.6
331.19067	7.3
338.10431	1.7
347.14923	1.7
347.18765	6.0
349.20230	7.1
350.20575	1.0
374.01569	1.3
389.19666	4.1
407.17358	3.6
449.21918	1.4
461.11731	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.0
64.56075	1.0
70.87121	3.3
71.01250	6.5
72.99182	17.0
75.00740	10.0
83.01260	2.2
84.43590	1.1
87.00298	1.0
87.00727	5.5
93.03320	1.3
96.95895	1.1
99.00764	4.4
108.02024	1.2
109.02872	1.5
111.00757	1.8
112.98695	7.7
113.99469	3.3
115.00274	10.8
117.01810	2.0
135.02882	7.6
139.11154	2.5
142.99774	12.1
156.00555	7.2
157.01271	1.4
165.09138	2.8
169.01300	1.4
173.00864	6.7
173.02121	1.3
173.04463	1.9
174.01617	100.0
175.02362	12.6
193.08765	1.2
199.13354	8.9
201.11230	2.2
205.08595	1.4
293.21210	14.8
294.21503	1.7
305.21210	14.0
307.22610	1.4
319.22964	2.6
327.19928	1.2
331.19067	2.3
333.20844	1.7
345.20633	5.6
349.20282	5.8
363.21866	1.7
367.21262	2.6
387.21603	1.9
389.19397	2.2
395.25696	1.2
407.20694	5.6
449.21735	3.4
467.22900	2.7
481.49347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
59.01251	7.5
60.99183	3.6
65.03848	1.7
67.01762	11.2
69.03344	2.5
71.01241	5.2
73.02826	1.9
74.48686	0.6
80.02557	1.3
81.03367	2.4
83.01259	0.9
83.04893	3.0
85.02846	2.4
87.00751	11.5
93.03334	70.8
94.03687	1.8
97.06493	1.8
98.19749	1.5
99.00794	0.9
99.04383	0.9
101.02348	2.5
102.82313	0.6
105.03359	1.1
108.02041	6.1
109.02838	9.4
111.00758	0.8
111.04395	10.4
113.02351	2.1
121.02842	33.3
122.03648	14.9
123.04507	0.7
129.01854	0.9
133.02855	10.3
133.03795	0.7
134.03625	28.7
135.04439	13.2
135.08113	2.6
136.01614	1.4
137.02338	11.9
137.03288	0.8
139.03963	1.2
143.03526	0.8
143.05066	0.9
145.02954	0.8
145.06543	0.8
148.01576	0.8
150.03093	0.9
151.03978	2.3
152.01064	9.1
153.01917	0.8
155.03412	5.1
159.04471	2.8
161.06023	2.2
162.06822	0.9
165.01830	6.6
173.04471	79.4
174.04848	4.5
177.01860	11.4
177.03262	0.7
178.02635	13.5
179.03372	7.1
185.09752	1.3
186.10362	0.8
187.03967	4.0
188.04749	0.9
191.05527	15.9
192.05965	0.7
196.03694	1.3
201.05641	2.0
201.12860	2.2
203.10706	26.3
204.11078	1.7
205.05093	2.8
219.06676	1.2
227.07043	0.8
229.29027	0.8
231.10291	2.1
241.12430	1.1
243.13835	12.1
245.08395	1.1
245.11826	1.6
261.14917	12.2
262.15436	1.1
269.11868	3.4
275.09229	6.0
275.11523	0.6
287.12878	14.5
287.15891	1.0
288.13123	0.9
293.10272	13.0
294.10684	1.8
305.13922	17.7
306.14261	1.3
352.08057	0.9
449.14557	13.7
450.08780	0.6
450.15942	2.7
467.19537	100.0
468.19913	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73376	0.8
57.03320	0.7
59.01253	13.3
60.63412	0.6
60.81157	0.5
60.99179	2.0
65.03828	1.5
67.01767	6.5
69.03324	1.4
71.01258	8.1
72.29433	0.7
72.99175	0.7
73.02826	8.3
81.03309	1.3
83.01283	1.2
83.04909	2.5
85.02839	2.5
87.00749	6.6
93.03335	38.3
94.03660	0.9
97.02793	0.7
97.06461	1.1
99.00775	1.0
101.02337	4.9
107.04945	1.7
108.02051	4.5
109.02840	12.0
109.06508	4.0
111.00865	0.7
111.04414	7.0
113.02363	1.7
119.04909	1.0
121.02842	13.9
121.03659	0.9
122.03643	17.3
123.04421	0.9
129.01787	0.8
131.08615	1.0
133.02843	4.7
133.10133	0.9
134.03633	24.6
135.04408	8.3
136.01588	1.6
137.02348	18.6
139.03932	0.9
143.04904	0.7
144.60800	0.6
145.06548	1.9
149.02350	0.7
151.03926	3.9
152.01115	1.3
153.01859	1.9
154.02708	2.2
155.03424	2.8
157.06494	4.0
159.04486	1.2
159.08101	2.3
159.11639	0.8
161.02295	0.8
161.05940	0.8
165.01877	5.9
171.08162	1.5
173.04472	48.0
174.04846	1.5
175.07593	2.6
177.01875	7.0
177.09129	44.5
178.02634	12.8
178.09517	2.3
179.03418	5.2
185.09726	1.4
186.10426	5.3
191.05537	12.6
191.07147	1.1
191.10707	2.6
195.03021	1.2
196.03764	2.2
199.11229	1.4
201.05518	6.3
201.12801	21.0
202.13126	0.9
203.07053	5.0
205.08748	0.9
219.06581	10.0
219.10092	1.0
220.07140	1.2
221.08130	8.9
221.10075	0.9
231.10260	3.4
233.08366	0.7
243.13887	4.0
245.11812	13.7
246.11943	0.7
247.09705	0.7
257.08109	0.7
261.14899	7.3
275.09235	6.2
287.12885	20.9
287.15933	1.1
288.13196	1.4
293.10281	12.2
294.10773	1.0
305.13934	24.9
306.14465	2.2
348.47165	0.7
370.09119	1.5
383.13702	2.7
449.14529	8.5
467.19437	100.0
468.19769	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2938
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
59.01240	1.0
62.77360	0.6
70.36927	2.1
78.95774	23.0
96.96869	0.5
122.00040	0.7
140.01062	3.9
152.99458	3.0
163.22974	0.5
171.00555	1.2
192.27255	0.5
196.03735	9.8
197.31956	0.5
214.04808	2.3
269.24838	100.0
270.25171	8.8
466.29364	24.4
467.29382	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2123
Annotation	Excavatolide E
Peak:m/z	Relative Intensity
56.38811	1.4
57.90870	1.4
59.01259	12.8
61.95271	1.4
71.01276	4.7
72.99169	4.3
73.02829	1.7
78.95782	9.0
81.03345	1.9
82.94852	1.5
83.01264	2.3
85.02825	2.3
90.30927	1.6
93.03349	2.3
95.01267	5.1
96.95908	2.1
98.19801	5.4
99.00758	7.0
99.92458	2.3
101.02334	1.9
106.95458	1.5
109.02784	2.5
111.00744	5.5
112.98670	1.7
116.92744	29.8
117.01799	2.7
123.08058	1.8
125.02297	3.0
125.09604	4.4
126.43832	1.6
127.61796	1.6
133.06363	1.6
133.10147	2.1
135.02885	3.5
137.02324	3.5
139.00259	5.4
140.53754	1.7
142.99722	7.6
144.00435	2.1
147.43092	1.7
151.07574	1.7
152.99510	8.8
156.00577	3.0
156.89400	15.3
173.00880	2.6
174.01619	100.0
175.01956	3.8
175.03923	2.2
177.05569	1.7
177.09007	1.6
187.07643	2.1
191.05583	2.3
199.02409	5.8
204.02621	1.9
205.08769	2.3
229.36032	2.1
291.19623	5.2
303.19693	5.8
310.10593	3.3
329.17270	1.8
347.18567	7.4
370.12857	3.9
381.17401	1.9
387.17856	2.5
405.19064	5.6
447.20331	5.0
454.89542	1.8
465.21329	41.9
466.21674	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15089	0.7
57.03326	1.9
58.00464	0.7
59.01252	100.0
60.01600	1.3
69.73571	5.0
71.01266	5.3
73.34467	0.7
78.95795	0.8
85.02814	1.0
88.38140	0.6
89.02319	8.7
101.02330	4.6
113.02354	2.7
119.03400	3.4
125.02377	5.7
149.02345	1.2
149.04501	0.8
157.35175	0.7
161.04518	0.7
179.05571	2.1
240.54027	0.7
304.68121	0.8
351.48322	0.7
405.21417	1.9
437.11221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	7.4
58.00467	2.3
59.01253	100.0
61.98697	1.3
70.33521	2.5
70.33948	2.0
71.01257	30.7
71.04893	1.4
72.32879	0.9
72.99172	1.9
73.02824	3.2
78.95808	0.9
79.91370	0.8
83.01256	2.8
83.04902	6.3
85.02826	7.2
87.00739	3.6
89.02319	33.0
90.89996	0.8
91.76058	1.1
93.03316	1.4
95.01276	4.0
99.04404	13.0
101.02328	18.0
105.06995	1.1
108.02061	2.1
108.62841	1.0
109.02853	3.4
113.02339	12.3
119.03389	16.1
123.08054	19.5
125.02342	6.8
127.03841	1.2
131.03421	1.6
134.75491	1.0
135.04381	1.1
141.08994	0.9
143.03406	1.7
145.04987	4.3
149.02251	1.4
149.04492	1.3
151.00269	1.6
151.64299	0.9
152.01030	2.8
153.01826	3.0
161.04462	4.1
161.13174	1.6
163.11215	5.9
167.07063	20.9
167.08348	0.7
168.07401	1.0
173.04472	1.8
174.03209	1.9
175.03893	1.3
177.01797	1.7
179.04182	1.2
179.05560	7.0
181.01508	0.8
181.12308	1.9
191.05573	5.8
207.10225	13.5
223.13377	2.2
225.11258	1.2
229.08711	1.2
241.14442	6.6
243.15947	3.0
247.09682	1.4
249.11295	1.0
267.12341	5.8
273.07675	2.0
275.05557	1.5
285.04074	2.9
285.13437	77.6
286.13773	5.2
291.08682	1.0
303.05142	3.1
303.08774	8.9
304.05057	0.9
378.07358	1.0
405.21390	35.3
406.21716	3.2
465.19751	47.4
466.20200	5.7
473.78009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20393	0.3
57.03320	7.9
58.00446	0.3
58.88324	0.3
59.01250	20.2
60.01602	0.4
63.02251	0.5
65.00192	0.4
69.72290	1.0
69.72717	1.2
71.01255	2.9
73.02832	0.4
78.95786	1.8
81.03339	2.1
83.01259	6.9
84.34794	0.3
85.02824	0.6
89.02302	2.2
92.62181	0.3
93.03347	0.7
95.01259	0.4
95.04934	0.6
97.02831	1.0
99.04386	0.5
101.02338	1.2
106.70768	0.3
107.01286	1.2
109.02834	1.1
113.02335	1.2
116.92756	0.4
119.03400	1.2
121.02847	3.1
123.00731	0.5
123.04420	1.3
123.08065	0.9
124.01543	0.7
125.02332	100.0
126.02647	2.7
137.02362	1.0
139.03888	2.4
143.03491	0.3
145.06517	0.4
147.04395	0.4
148.01572	1.4
149.02345	21.6
150.02682	1.1
151.00261	4.5
152.01021	1.0
153.01831	4.9
161.04407	0.6
165.05475	0.3
167.03415	3.0
169.01323	0.9
173.05910	0.4
174.03146	0.5
175.03909	0.8
177.01862	2.7
178.99776	9.5
179.03337	0.8
179.05545	0.6
180.00125	0.6
181.01291	2.0
189.01947	0.5
189.05472	0.7
191.03584	0.4
191.05429	0.7
195.02943	0.4
199.03906	0.6
201.01855	0.7
217.04961	2.0
240.87662	0.3
241.04996	0.7
257.04459	0.4
259.06131	0.8
267.03131	0.4
275.05591	4.4
284.03412	1.7
285.04065	3.9
285.13345	1.6
299.05530	3.1
303.05106	9.1
304.05527	0.5
308.44504	0.3
317.06726	0.7
327.04907	0.9
343.06799	0.8
345.06036	0.4
405.21262	0.8
437.10880	24.4
438.11130	2.3
447.09171	2.2
465.10223	10.3
465.19901	0.9
466.10495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	8.6
57.95836	0.6
59.01252	28.7
63.02250	1.1
65.00192	2.9
68.65697	0.5
68.99717	0.6
71.01246	3.4
75.53889	0.6
78.95765	0.5
79.95559	0.5
80.49954	0.5
81.03338	1.6
83.01244	6.2
83.01636	0.5
85.02847	1.3
89.02303	2.9
93.03341	1.7
95.01263	1.1
95.45375	0.5
97.02815	1.3
98.20557	1.6
99.04386	0.7
101.02309	1.9
107.01277	6.0
107.47988	0.5
109.02822	4.3
111.00711	0.5
113.02363	1.2
118.56898	0.5
119.03397	1.3
121.02821	2.9
123.00761	0.5
123.04424	3.6
124.01551	1.9
125.02335	100.0
125.05965	2.4
126.02661	2.5
130.04178	0.5
131.01312	0.8
131.48831	0.5
137.02351	3.1
139.03920	3.5
144.80608	0.5
147.04367	1.0
148.01625	0.7
149.02347	16.9
150.03114	0.8
151.00281	22.1
151.03909	2.4
152.01062	2.6
153.01842	23.5
161.02402	0.5
161.04475	1.1
165.01839	0.9
166.02641	0.6
167.03403	2.2
169.01381	2.6
171.04590	0.6
173.04451	0.7
174.03160	1.9
175.00296	4.2
175.03905	7.8
176.01115	0.6
177.01854	11.9
178.02206	0.7
178.98189	1.0
178.99779	17.9
179.03366	0.8
179.05579	0.7
180.00105	1.1
181.01341	10.8
188.04765	1.6
189.01797	0.7
189.05455	3.5
191.03438	2.1
191.05394	1.0
195.02922	1.7
199.03947	3.9
201.01845	1.5
204.24127	0.5
205.01305	1.0
212.04749	0.6
213.05470	1.4
216.04279	0.7
217.05031	5.1
218.05351	0.6
219.02893	0.6
241.04987	3.2
256.03644	0.6
257.04437	1.2
259.06116	2.6
267.02783	0.6
270.39685	0.7
275.05600	16.1
276.05988	1.1
285.04034	31.3
285.13327	1.5
286.04321	2.6
299.05606	5.0
303.05103	38.2
304.05530	3.1
309.04221	0.9
313.05722	0.7
327.05118	2.1
341.05206	4.2
342.05408	0.5
343.06689	3.6
405.21445	1.9
427.19568	0.8
437.10846	6.8
438.10907	1.0
447.09293	3.1
465.10297	3.6
465.20010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.7
59.01244	3.2
69.37817	7.5
78.95769	0.7
96.95896	1.4
97.06462	10.1
102.99686	0.9
105.27448	0.7
123.08052	5.2
125.09614	76.0
126.09963	3.1
143.10643	1.3
162.79208	0.8
169.08641	2.8
171.10197	5.0
187.09691	100.0
188.10051	4.4
200.69611	0.9
216.88217	0.8
234.51158	0.8
255.02960	1.8
271.02444	3.8
275.20142	1.8
277.03561	0.8
291.19540	3.6
299.99252	1.5
300.02771	6.5
301.03500	4.2
309.20718	6.4
359.83401	0.9
365.27014	2.9
442.13358	1.0
463.08890	3.8
463.30603	1.3
464.09048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32668	2.3
57.03335	3.6
59.01249	7.0
65.58201	2.7
71.58916	3.8
78.95786	3.6
82.77385	2.6
84.75561	2.9
85.24812	2.9
87.81658	2.9
96.95918	4.9
107.85032	3.2
110.98403	3.1
116.00430	2.6
125.09625	6.8
134.68449	3.1
139.11191	6.9
139.33511	2.8
151.00281	4.6
171.10182	64.9
187.09706	8.4
199.13376	3.9
209.11823	4.0
221.91951	3.2
235.03014	2.7
243.02866	3.8
247.20624	4.2
255.02931	8.2
270.82397	3.0
271.02454	20.7
291.16602	1.9
291.19672	57.9
291.22772	5.8
292.19897	3.8
299.99149	8.1
300.02756	28.3
300.99799	7.4
301.03436	16.0
309.20709	100.0
310.21115	8.9
445.29529	7.3
463.08698	13.3
463.30280	5.9
473.87411	3.6
475.27640	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
65.48969	0.6
71.16251	1.7
78.62660	0.6
79.26264	0.6
81.99380	0.7
82.48408	0.6
95.04960	0.8
107.08555	3.5
111.08038	0.9
111.31591	0.7
125.09643	3.5
127.11216	2.4
139.11201	2.7
144.71819	0.7
151.11139	0.8
152.04701	1.2
153.09068	1.8
165.08954	0.8
171.10181	100.0
172.10568	4.1
183.10150	0.8
187.09674	0.8
199.09688	1.2
199.13257	1.9
209.11852	1.6
247.20680	1.9
255.03053	0.8
263.20157	1.8
271.02405	2.6
273.18564	1.5
291.19666	58.5
292.20059	5.2
299.99164	2.3
300.02744	3.5
300.99823	1.7
301.03421	1.9
309.20709	30.7
310.20996	2.8
327.21579	0.8
335.22104	0.8
401.30472	2.4
427.28601	1.2
445.29550	7.7
446.29913	1.3
463.09848	1.1
463.30359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3067
Annotation	Taxisterone
Peak:m/z	Relative Intensity
57.03312	2.9
59.01236	8.5
67.79539	2.6
70.23523	3.1
70.23887	8.9
71.04872	2.6
74.22669	2.2
78.95781	4.2
83.04819	2.3
93.03291	3.6
96.95870	6.2
97.06453	8.2
98.20407	3.2
111.22480	2.2
111.42329	2.1
121.10104	7.0
123.08055	6.7
125.09621	34.5
129.61470	2.6
149.09682	3.0
151.00284	5.3
159.24432	2.2
171.10190	28.1
185.11736	18.3
187.09683	7.9
197.11757	15.9
199.13226	3.2
209.11816	3.4
217.00154	4.3
243.02974	3.3
255.02916	7.8
271.02496	17.6
275.20114	8.3
291.19699	28.3
293.21179	15.1
295.22717	7.6
299.99316	5.4
300.02661	27.2
301.00241	3.3
301.03400	15.0
366.37015	2.9
383.29337	5.5
401.30673	7.6
427.28525	17.7
428.28702	4.1
445.29581	75.5
446.30060	13.2
463.09119	18.9
463.30585	100.0
464.08951	3.5
464.30939	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03328	1.1
58.00488	0.4
59.01253	100.0
60.01594	1.0
69.03355	0.4
69.34934	3.4
71.01260	8.5
71.04906	0.3
72.52737	0.3
72.99217	0.6
73.02824	4.3
75.00757	0.5
83.01257	2.1
84.63102	0.4
85.02822	5.1
85.99981	0.3
87.00787	1.0
89.02342	1.1
93.03334	7.6
93.03917	0.4
95.01273	1.1
97.02816	0.5
99.00758	1.0
101.02325	7.6
102.67574	0.3
106.06526	0.4
109.02829	0.5
111.00771	0.4
113.02322	3.8
116.90308	0.3
118.02587	0.3
121.02902	0.5
125.02345	0.9
135.04431	0.7
137.02350	17.9
138.02719	1.0
139.03889	0.4
143.03380	0.5
151.00285	1.6
153.01881	0.3
159.02904	0.5
161.04504	1.3
173.04576	0.8
173.05983	0.4
178.99721	0.4
183.13860	1.0
191.05620	1.0
209.11884	1.3
215.07079	1.0
227.03618	0.4
227.12790	0.7
241.05167	0.4
243.02998	1.2
255.02972	2.7
256.03452	0.6
259.06137	2.5
271.02487	6.5
272.03030	0.5
300.02722	8.6
301.03445	5.5
302.03903	0.6
343.21152	0.5
359.24500	0.4
361.22388	2.6
385.22366	1.1
403.23169	3.9
404.23914	0.5
421.24353	6.9
422.24866	0.7
445.24384	5.4
446.24841	0.6
463.08792	6.7
463.25528	70.9
464.09000	0.9
464.25839	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.1
57.03315	1.5
58.00457	1.5
59.01250	45.8
60.01593	0.7
66.13512	0.5
67.01753	0.8
71.01254	18.5
71.04897	0.5
71.58315	0.8
72.99169	2.7
73.02808	3.7
74.03191	0.5
83.01248	2.9
83.04915	1.1
85.02831	5.9
85.06460	1.7
85.45897	0.5
87.00738	2.8
89.02316	11.5
93.03328	2.7
95.01270	1.3
97.06461	0.8
99.00761	1.5
99.04378	0.7
101.02319	10.1
107.01271	1.0
108.02065	1.5
109.02824	2.4
111.00737	0.7
111.04395	1.3
111.08021	0.5
113.02334	6.4
115.07541	7.7
119.03406	3.3
121.02832	1.6
123.04446	0.6
125.02299	0.9
135.00761	0.9
135.04413	13.2
136.04698	0.7
137.02367	0.9
139.11160	2.2
143.03415	0.7
147.04382	1.5
148.85997	0.5
151.00253	4.2
153.01863	3.0
153.05493	0.9
155.03383	0.6
161.02342	1.8
161.04497	0.7
163.03857	0.7
165.05482	9.7
172.48834	0.6
173.04468	2.8
176.03908	0.9
178.99792	1.8
179.03419	3.6
191.05522	13.1
191.23434	0.5
192.05899	0.7
197.04500	0.8
199.13165	0.7
205.12434	0.5
209.11835	2.9
211.04051	0.8
215.06998	0.7
227.03461	1.5
227.12639	1.3
243.02962	2.4
255.02971	6.0
259.06161	0.8
270.99930	0.6
271.02463	13.6
272.02939	1.8
283.12228	0.8
283.15500	2.8
283.18524	0.8
297.20776	0.7
299.01819	0.7
300.02747	20.5
301.03470	15.8
301.10806	4.9
301.20184	23.2
302.03912	2.1
302.11096	0.7
302.20615	1.1
403.23669	2.9
421.24442	0.9
445.24765	1.1
463.08673	15.8
463.25500	100.0
464.09039	1.7
464.25879	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69817	0.5
57.03315	0.8
59.01247	2.6
62.15479	0.5
65.87589	0.6
69.27088	2.5
69.27523	2.8
72.09014	0.5
72.97987	0.5
78.95774	7.7
83.04907	0.9
94.05531	0.5
94.98907	0.6
95.89931	0.4
96.95882	0.9
97.06464	0.5
98.88358	0.5
110.98425	6.7
113.09604	1.9
118.96127	0.5
125.02326	0.5
152.99475	0.8
158.74188	0.6
167.01094	2.7
171.10210	1.9
177.12805	0.9
179.14409	0.8
181.12177	0.6
183.10126	0.7
185.02158	5.9
186.05305	0.6
189.36690	0.6
195.13828	15.2
196.14050	0.8
227.03317	0.6
243.03073	0.8
255.03041	2.1
271.02463	3.9
272.02863	0.7
277.21716	15.2
278.22079	1.3
293.21384	0.6
295.22781	100.0
296.23126	8.8
299.99106	2.8
300.02768	5.6
300.99850	1.6
301.03470	4.6
463.09860	3.9
463.24677	13.4
463.30807	1.1
464.24902	1.5
484.80011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58047	0.4
59.01251	1.1
60.47046	0.3
72.99181	0.7
78.95771	4.4
96.95894	0.8
99.36826	0.5
101.02279	0.5
110.98420	1.8
125.09624	0.5
127.11200	0.9
141.12759	8.9
149.33105	0.4
155.14351	3.6
167.01068	2.7
171.10175	1.9
172.58473	0.4
178.99704	0.4
185.11778	1.7
203.92938	0.4
209.11937	0.5
213.78085	0.4
223.13461	0.5
233.04045	0.4
233.19025	0.5
243.03069	0.8
249.19838	0.7
249.22229	7.5
250.22687	0.6
255.02954	1.5
271.02518	2.7
277.18265	0.6
277.21539	0.6
291.19550	0.5
293.21365	1.8
295.22791	100.0
296.19812	0.5
296.23151	9.3
296.26324	0.7
299.99127	2.1
300.02744	4.5
300.99826	1.8
301.03473	2.2
309.20752	0.5
334.75217	0.4
445.29645	0.9
463.09686	2.3
463.25064	0.7
463.30798	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01769	3.1
57.03329	3.6
58.00469	1.1
59.01252	32.6
59.91874	0.6
63.02285	0.9
63.98656	0.6
65.00202	2.5
69.03323	1.7
69.34990	4.9
71.01257	46.4
72.01586	0.8
72.99181	2.2
73.02821	16.6
75.00772	2.9
77.63442	0.5
78.70609	0.5
81.03341	1.0
83.01266	7.4
85.02825	21.0
87.00729	2.8
89.02317	14.3
89.02734	0.3
90.99354	0.5
93.03337	1.7
95.01260	3.8
96.99505	0.5
97.02827	2.2
98.19736	1.0
99.00760	9.6
99.04416	0.6
101.02325	32.5
101.05887	0.7
102.02682	1.0
105.86578	0.5
107.01280	4.8
108.02042	0.7
109.02858	1.3
111.00774	0.8
113.02334	16.6
115.03889	1.0
119.03381	2.7
119.04899	0.7
121.02867	1.1
124.01557	0.9
125.02354	13.2
126.02682	0.6
129.01819	0.8
131.03407	2.5
135.04417	1.3
137.02298	0.6
139.03946	0.7
143.03415	2.3
147.00763	1.3
148.01570	3.3
149.02362	3.5
149.04456	2.4
151.00272	12.8
153.01805	0.9
159.02914	3.7
159.04431	1.8
161.02460	1.0
161.04468	22.2
161.05846	1.1
162.04750	0.7
163.00243	3.5
169.01393	0.8
173.04500	0.9
175.00377	0.8
179.05566	0.7
184.48239	0.5
187.03941	1.2
191.05554	4.8
201.05486	0.9
203.03645	0.7
209.11784	13.1
210.12018	0.9
215.03365	0.8
216.00906	0.6
227.03307	0.8
227.12869	2.8
229.05013	2.3
233.06712	1.9
239.12975	0.7
241.14293	0.7
243.02985	0.8
245.04460	0.9
253.09256	1.9
257.04419	0.7
271.02478	2.3
272.03143	3.3
273.04016	2.5
283.02396	1.0
293.08896	1.6
300.02719	6.1
300.52808	0.6
301.03528	33.2
302.03748	2.6
326.85025	0.6
331.17621	29.7
332.18008	2.5
333.75790	0.6
339.37686	0.5
343.04434	1.6
381.55634	0.7
403.19669	1.0
419.19223	1.9
421.20798	0.7
463.08786	26.3
463.21857	100.0
464.08899	4.6
464.22156	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.1
58.00458	1.3
59.01250	100.0
59.70455	1.2
65.00188	1.4
69.66579	2.1
69.66982	8.7
71.01250	25.5
71.61750	1.2
72.99184	5.2
73.02829	5.3
74.02351	1.3
74.70311	1.3
75.00746	78.3
81.03366	1.7
83.01273	3.7
83.04900	2.9
85.02821	8.6
87.00771	3.0
89.02318	26.3
90.30082	1.4
93.03355	3.1
95.01280	2.1
98.20531	1.9
101.02319	18.2
103.22443	1.6
107.01257	3.2
108.02084	1.3
109.02842	3.0
111.04475	1.3
113.02327	11.7
113.31940	1.4
119.03400	10.8
119.04880	1.5
121.02854	3.5
123.04423	1.3
125.02320	4.5
131.03419	1.7
135.04388	2.7
137.02333	4.6
143.03377	2.4
146.27087	1.5
148.01505	1.6
149.04480	2.1
151.00261	7.7
152.01036	1.7
153.01707	1.8
161.04451	4.7
161.58134	1.3
163.11310	1.4
165.09178	2.1
173.04532	2.7
178.99797	1.6
179.05634	6.8
191.05519	12.2
205.12297	9.4
209.11768	40.4
210.12115	3.7
221.06070	1.4
227.12799	6.1
253.09233	3.3
255.02818	2.8
271.02573	3.6
300.02628	8.2
300.52917	7.8
301.03519	15.7
325.12036	1.7
328.76990	1.4
381.05188	1.6
381.55496	5.0
385.18860	1.9
403.19775	9.3
421.20706	1.6
463.08597	10.2
463.22208	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76114	0.5
59.01258	5.8
63.02278	0.7
65.00186	1.8
68.99687	0.6
71.01253	2.7
83.01262	1.0
83.04908	1.0
83.55992	0.4
85.02820	1.2
87.00755	0.5
89.02308	1.4
93.03347	3.0
95.01262	2.0
99.00764	1.2
101.02316	2.0
104.16083	0.4
107.01273	2.6
108.02127	0.8
109.02836	2.2
109.99970	1.8
110.87423	0.4
111.00751	2.2
113.02332	1.1
117.03330	0.8
117.06871	0.4
121.02826	1.9
123.00797	3.4
123.04386	0.5
124.01559	0.9
125.02320	1.1
131.44734	0.4
132.02086	0.7
133.02838	0.8
135.00766	1.5
135.04404	6.8
136.01555	0.4
136.98683	2.4
137.02364	1.6
137.99483	0.7
139.00227	2.8
141.03336	0.5
143.04933	0.5
147.04427	1.6
148.01599	0.9
151.00266	6.6
151.03812	0.6
152.01068	3.5
153.01851	1.1
155.04900	1.1
157.06548	0.5
159.04422	1.0
161.02385	1.0
161.04753	0.5
161.05971	2.9
163.00307	3.4
163.03847	0.7
163.11179	0.6
164.01038	0.5
165.05453	1.7
165.12782	0.5
165.98962	2.4
166.99821	2.5
169.01430	0.6
169.02789	0.5
171.04500	2.0
171.05879	0.5
173.02448	0.5
173.04546	0.4
175.03841	0.7
176.03941	1.0
178.99809	5.0
179.03368	0.9
179.07097	1.3
181.01329	0.9
183.04362	2.3
185.06062	1.3
187.03964	2.6
188.04457	0.4
191.05545	2.4
192.00670	0.5
193.01299	0.4
193.98558	0.6
198.03088	1.2
199.03963	3.2
200.04672	1.8
201.05510	1.7
209.11786	18.0
210.12061	1.5
211.03970	3.0
213.05478	0.9
215.03433	2.8
216.04199	1.5
217.04817	0.6
217.34515	0.4
225.01772	0.6
226.02682	2.2
227.03452	13.4
227.12848	2.6
228.04041	2.2
229.05028	1.9
231.02887	0.5
239.03494	1.7
243.02979	18.7
244.03522	3.8
245.04469	1.5
253.09351	1.7
254.02147	2.7
255.02972	50.8
256.03464	7.3
257.04523	12.1
258.05261	0.5
259.02490	0.5
271.02478	55.1
272.03192	19.5
273.03879	3.6
282.01743	0.8
283.02499	10.7
284.02963	1.9
285.03909	1.3
299.02094	1.0
300.02744	63.2
301.03479	40.5
301.10657	2.8
302.03925	3.6
343.06769	2.3
435.09738	0.8
445.07721	1.3
463.08820	100.0
464.09131	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	9.2
59.37649	0.3
63.21746	0.3
71.01256	5.4
72.99187	0.8
73.02819	2.3
80.02561	0.9
81.03342	0.9
83.01253	0.9
83.04900	4.4
84.02041	0.7
85.02825	1.7
87.00764	0.7
89.02316	3.9
90.99393	0.3
93.03342	0.7
95.01270	0.4
95.04936	0.8
99.00749	0.5
99.04388	0.4
101.02326	4.2
103.00275	0.4
107.01275	1.1
108.02077	0.7
109.02859	1.1
111.04408	0.3
113.02345	2.4
113.60553	0.4
114.05531	0.2
119.03381	0.9
121.02820	1.3
122.14402	0.3
125.02338	0.3
125.05967	0.8
135.04439	0.5
135.08090	0.4
137.02356	0.7
139.97482	0.3
143.03433	0.6
148.01593	0.8
151.00261	4.9
152.01073	0.4
155.52821	0.3
161.04527	1.6
163.00301	1.4
163.11201	3.5
165.12730	2.9
169.01390	0.3
173.04471	0.4
175.03934	0.3
176.03935	0.5
178.99803	2.1
179.03445	0.6
179.05528	1.0
181.12268	0.6
191.05536	2.6
191.10768	0.9
199.03966	0.5
199.13306	0.7
202.76537	0.3
209.11772	100.0
210.12128	7.1
211.03870	0.5
226.02692	0.9
227.03490	1.2
227.12839	17.1
228.13228	1.0
229.04985	0.3
229.65894	0.3
235.08170	0.4
239.12750	0.3
239.16418	0.4
243.02942	4.4
244.03493	0.4
245.04453	0.4
253.06689	0.7
253.09283	12.5
254.02170	0.8
254.09648	0.5
255.02959	9.4
256.03391	1.3
271.02481	22.1
272.02969	3.2
273.03912	0.6
283.02509	0.7
283.15482	0.8
299.02017	0.7
300.02734	40.6
301.03455	24.2
301.16565	1.2
302.03922	1.9
329.15134	0.8
343.04120	0.4
445.24716	0.3
463.08768	25.3
463.26343	2.1
464.09088	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53356	0.2
55.01759	0.6
56.47206	0.2
56.82718	0.2
57.03318	0.4
58.00469	0.3
59.01252	6.2
69.03348	0.4
69.99240	0.9
70.77010	0.2
71.01254	4.3
72.99197	0.3
73.02818	1.0
83.01260	0.9
85.02817	1.4
85.61763	0.2
87.00787	0.6
89.02316	3.5
95.01265	0.7
97.06477	0.4
101.02322	3.4
102.30094	0.2
107.49551	0.2
109.02802	0.2
111.08022	0.8
113.02328	1.4
114.78156	0.2
115.03916	0.2
119.03378	0.8
125.02357	0.3
133.04929	0.6
134.03607	0.2
135.04436	0.8
143.03366	0.2
147.04410	0.3
149.06000	0.4
151.00331	0.4
161.04486	1.0
165.12761	8.0
166.13123	0.5
179.05537	0.4
183.13832	100.0
184.14169	5.8
184.15862	0.2
209.11786	1.6
221.89214	0.2
227.12837	12.1
228.13190	0.8
235.08130	1.5
253.09258	5.8
254.09538	0.3
255.02890	0.2
271.02399	0.6
282.98541	0.2
283.09579	0.4
300.02777	0.5
301.03561	0.2
301.10852	0.3
301.16354	0.3
445.20639	0.5
463.21835	52.6
464.15570	0.4
464.22137	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
57.03322	0.4
58.00462	0.5
59.01252	9.8
69.03352	0.2
70.83051	0.7
71.01250	6.1
72.23832	0.2
72.99182	0.3
73.02814	1.3
83.01261	0.8
83.04895	0.2
85.02825	2.0
87.00739	1.1
89.02322	4.9
95.01289	0.7
97.02842	0.2
97.06470	0.3
99.00772	0.4
101.02325	5.9
103.03918	0.3
109.02850	0.4
111.08038	0.5
113.02334	2.9
119.03405	1.3
125.02324	0.3
131.03299	0.2
133.04922	0.6
135.04376	0.6
141.76485	0.2
143.03400	0.3
158.05446	0.2
161.04469	1.9
165.12764	8.1
166.13110	0.3
179.05582	0.3
183.13828	100.0
184.14154	5.7
202.60783	0.2
209.11732	1.7
224.30017	0.2
227.12846	10.1
228.13264	0.4
235.08218	1.1
236.08578	0.2
253.09254	9.0
254.09558	0.7
271.02438	0.5
300.02646	0.6
301.03537	0.4
301.16559	0.3
395.64981	0.2
445.20599	0.5
463.21817	48.0
464.22211	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2102
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
52.89334	0.3
55.11048	0.3
58.52634	0.3
59.01251	3.7
69.26582	3.1
71.01258	0.5
78.95779	100.0
85.02821	0.5
90.98438	0.3
93.03334	0.6
96.95910	0.4
96.96843	6.4
97.90678	0.3
101.02335	0.4
107.01270	0.5
107.45870	0.3
108.02023	0.3
109.02845	0.6
119.04012	0.3
124.01568	0.5
135.04373	0.4
151.00281	1.1
152.99498	12.1
158.31042	0.3
171.00562	48.1
172.00914	0.5
173.00041	0.3
178.99799	0.5
191.05565	0.8
195.50826	0.3
209.11771	1.1
227.12811	0.5
243.02995	1.0
255.02960	2.5
271.02502	4.5
272.02991	0.7
284.79956	0.3
295.03909	0.3
299.99551	0.3
300.02740	6.8
301.03470	3.4
371.16470	1.7
389.17453	0.7
463.09610	4.2
463.21036	34.5
464.08694	0.4
464.21411	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33023	0.3
59.00946	0.7
59.01250	13.6
71.01266	2.4
71.58502	0.6
73.02832	0.4
78.95777	100.0
85.02827	1.1
93.03342	0.7
96.95913	0.5
96.96844	7.9
100.83129	0.4
101.02336	1.2
107.01262	0.7
109.02843	0.7
113.02341	0.8
119.56778	0.4
120.88094	0.4
120.99556	1.0
121.02840	0.6
125.02353	1.1
135.04388	0.8
138.47488	0.4
150.97882	0.7
151.00284	1.8
152.99490	42.6
153.99815	0.7
169.01315	1.1
171.00557	26.8
173.04431	0.8
178.99734	0.7
191.05565	1.7
209.11833	0.8
216.32849	0.4
227.12823	0.9
227.87100	0.4
243.02917	1.4
244.03552	0.4
253.09375	0.4
255.02943	3.0
271.02469	6.6
272.02936	0.9
299.99423	0.5
300.02713	10.0
301.00125	0.7
301.03491	6.6
302.03757	0.6
342.59421	0.4
389.17023	0.4
395.23514	0.4
403.27283	0.9
434.16696	0.4
463.09055	6.1
463.20947	36.0
464.09470	0.9
464.21265	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47378	1.2
55.01755	1.3
57.03321	2.4
58.00456	3.3
59.01253	100.0
60.01587	1.2
69.03330	1.0
69.41854	9.3
71.01257	55.9
71.19322	1.1
72.99190	5.5
73.02815	3.4
75.55230	0.8
78.89520	0.9
78.95795	1.8
83.01263	3.0
85.02830	9.6
87.00761	3.6
89.02322	76.8
90.02696	0.9
93.03342	4.1
95.01270	3.0
101.02326	30.4
102.71632	1.0
107.01314	1.7
108.02055	5.0
108.55309	0.9
109.02820	2.3
111.58960	1.1
113.02339	23.7
119.03393	28.8
121.02861	2.6
123.04411	1.1
124.07607	1.2
125.02332	1.5
131.03397	2.8
131.79561	1.2
133.02856	7.7
135.04424	6.8
137.02370	1.3
143.03380	5.7
149.04462	3.0
149.06015	1.0
151.00272	4.4
152.01012	3.4
153.01822	2.1
155.83170	1.1
159.04445	1.0
161.02350	2.2
161.04459	5.1
161.05731	1.1
163.00418	1.4
173.04465	3.5
178.99748	1.7
179.03409	1.1
179.03978	1.4
179.05533	13.8
183.13826	5.9
191.05510	6.0
209.11786	3.2
214.99837	1.0
215.07176	1.2
227.03465	1.9
227.12889	1.9
239.11945	1.9
243.02962	3.8
251.07167	1.8
255.02911	8.4
257.12936	2.3
259.06201	1.4
265.08646	1.5
266.05273	1.1
267.06592	4.4
268.07367	3.7
271.02515	20.2
272.02890	2.8
283.09750	16.2
300.02747	29.7
301.03479	18.1
301.11169	3.2
302.03522	1.2
431.07858	1.2
463.08820	20.2
463.15552	2.4
463.26181	5.8
464.09161	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
55.68600	0.9
57.03317	2.2
58.00464	3.7
59.01253	100.0
67.01763	1.0
70.93636	0.8
71.01256	62.2
71.58368	1.1
72.51985	0.8
72.99187	5.2
73.02822	3.4
73.75269	0.9
78.95779	1.0
81.67388	0.8
83.01255	3.7
85.02828	10.6
86.02917	0.8
87.00749	4.4
89.02319	71.5
90.02663	1.7
93.03346	4.2
95.01241	4.4
99.00753	1.5
101.02325	31.1
102.02673	1.0
106.06516	1.1
107.01276	1.6
108.02045	4.4
109.02855	2.6
113.02336	23.1
119.03391	30.0
120.03718	1.3
121.02850	3.5
123.04412	0.9
124.07681	0.9
125.02374	1.3
131.03394	3.1
133.02847	8.8
134.03677	0.9
135.04436	7.0
136.45566	0.9
137.02361	2.2
140.04599	1.1
143.03365	4.8
143.49033	0.9
147.04425	2.1
149.04491	2.1
149.05971	1.3
151.00310	5.1
151.03922	2.9
152.01088	2.2
152.04208	2.3
153.01839	1.9
156.13901	0.9
159.04387	1.3
161.02499	1.2
161.04442	5.5
163.00285	1.4
165.12733	1.7
169.01382	1.2
173.04475	3.2
178.99866	2.0
179.03999	1.4
179.05531	13.7
179.07025	1.5
183.13817	12.9
191.05542	5.5
209.11739	2.9
223.07632	1.7
224.09584	0.9
227.03447	1.4
227.12888	2.2
239.07277	1.0
239.11885	2.0
243.02972	4.6
251.06981	1.3
253.09369	1.6
255.02985	11.2
256.03397	1.2
257.12885	3.9
259.06097	1.1
265.08759	2.1
267.06702	5.0
268.07455	3.9
271.02463	21.8
272.02914	3.1
280.41919	1.0
283.09732	18.3
284.10181	1.3
300.02744	34.8
301.03525	21.2
301.11853	1.6
301.19995	1.0
302.03867	1.7
345.25146	0.9
403.23117	2.2
421.24124	1.2
428.49506	0.9
463.08911	20.6
463.16095	2.0
463.21735	3.1
463.25421	6.6
464.09088	2.8
464.16663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30132	1.0
57.03326	3.0
58.00446	1.5
59.01254	59.2
71.01257	18.7
71.04896	2.1
71.58779	1.0
71.59160	1.4
72.99196	2.2
73.02822	6.7
83.01241	5.2
83.04893	1.6
85.02830	12.9
85.99973	0.9
87.00771	2.7
89.02328	8.4
91.05396	1.8
93.03352	8.3
95.01287	1.9
97.02782	0.8
98.70053	0.9
99.00761	2.2
99.04420	1.6
99.08057	1.8
101.02335	16.2
105.01818	1.6
105.13963	1.0
106.03959	1.2
108.04457	4.7
109.02853	2.8
111.00792	1.2
111.04394	1.7
111.38628	0.9
113.02335	6.4
119.03381	4.4
119.04961	1.4
121.02860	2.7
121.06448	1.0
122.06005	1.2
123.04426	2.5
124.07603	2.7
125.02339	1.8
125.09599	1.6
129.09123	5.1
133.06461	2.8
135.04411	12.5
136.07581	11.1
137.02248	1.2
141.62199	1.0
147.04425	1.7
148.01588	1.0
149.02347	1.5
150.03114	1.0
151.00272	4.4
152.00948	1.0
159.04446	3.0
161.02362	4.7
161.04466	1.8
162.03183	1.0
164.04691	3.5
165.05467	9.7
171.13895	1.2
173.04427	3.6
175.03931	4.3
177.05496	100.0
178.05824	5.2
179.03416	2.3
189.05527	2.0
191.05544	34.5
192.05888	1.2
195.06566	45.8
196.06902	2.6
199.07559	1.8
199.13351	8.5
201.09166	1.1
209.11874	4.7
227.03482	1.6
227.07153	1.9
227.12854	20.8
243.02933	3.1
244.13576	1.6
253.09331	3.6
254.02403	0.9
255.03047	8.7
257.12949	29.7
258.13062	1.3
271.02493	18.6
271.06052	4.5
272.02795	1.3
283.09763	6.9
299.02063	1.1
300.02759	22.6
301.03555	16.8
301.10800	65.4
301.20190	16.3
302.03796	2.0
302.11111	6.9
302.20569	1.2
315.13519	5.7
343.12851	5.1
403.23279	1.8
421.24344	1.1
445.24356	2.8
463.08804	19.3
463.16049	49.7
463.25479	91.0
464.09421	1.9
464.16354	8.4
464.25751	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.7
59.01545	0.9
65.03825	1.5
67.01756	2.4
69.40265	5.6
70.90685	0.6
71.01241	1.7
85.02818	1.4
89.02325	1.5
91.05413	11.3
93.03351	3.3
101.02314	1.4
108.02071	0.7
109.02842	8.1
113.02379	0.8
114.44435	0.6
116.62161	0.6
117.07004	3.5
121.01950	1.2
121.02842	28.6
135.04413	100.0
136.04709	4.4
137.79092	0.6
147.04424	17.1
148.04750	1.1
149.05991	3.3
151.00365	0.9
153.05455	6.4
161.05988	54.7
162.06351	2.5
165.05487	38.5
166.05838	2.2
173.04544	0.8
173.05945	1.1
176.03983	1.8
179.03447	2.4
179.05467	1.4
179.07054	28.5
180.07437	1.4
191.05511	3.6
191.07095	8.8
192.07570	0.6
209.11774	2.1
227.13025	0.7
243.02916	1.1
255.02971	3.3
271.02414	5.5
283.09793	1.0
300.02789	6.5
301.03659	4.7
301.10803	42.1
302.11298	4.2
341.12469	1.2
347.43146	0.7
463.08908	5.2
463.16116	12.7
463.25784	0.9
464.09366	1.1
464.16415	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.6
59.01251	6.9
64.00169	0.4
65.03841	1.1
67.01762	7.1
71.01254	2.6
73.02837	1.0
81.03346	0.7
83.01248	0.7
83.04907	1.0
85.02840	1.1
87.00758	0.5
89.02341	1.8
91.05413	8.7
91.05952	0.7
93.03324	3.7
95.34918	0.5
97.06477	0.4
101.02341	2.4
105.07001	1.4
107.04930	0.6
109.02834	5.3
113.02335	1.2
117.06992	9.2
119.03302	0.6
119.04894	1.1
121.02848	18.5
122.03197	1.0
123.04404	1.2
131.14665	0.5
135.04419	100.0
136.04755	4.1
137.06036	0.6
147.03284	1.0
147.04430	16.0
148.01631	0.6
148.04755	0.6
149.05969	4.7
151.00279	0.9
153.05478	10.4
153.06682	0.7
159.04453	0.4
161.05994	97.1
162.06303	4.3
163.07590	0.7
163.11249	0.9
165.05492	45.5
165.12738	0.5
166.05887	1.5
173.04608	1.1
173.05975	0.9
176.03922	0.6
178.99811	0.6
179.03563	1.5
179.07065	49.2
180.07353	2.2
191.03995	0.4
191.05502	2.7
191.07091	6.1
209.11781	22.3
210.12106	1.1
227.12888	3.5
229.33286	0.6
243.02960	1.0
253.09245	2.5
255.02917	1.7
271.02454	2.7
283.09796	1.4
300.02728	3.7
301.03595	3.6
301.10825	35.1
302.11179	3.1
316.69595	0.6
445.24023	0.7
453.45303	0.6
463.08911	2.9
463.15961	14.3
463.25668	1.6
464.16531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
55.33455	0.5
56.32468	0.4
57.03328	1.3
58.00489	0.4
59.01251	36.9
60.01569	0.6
67.01781	1.4
69.74577	2.7
69.74986	0.9
70.33595	0.5
71.01256	15.7
71.04900	1.4
72.99207	1.6
73.02824	3.5
79.95599	0.5
83.01270	1.8
83.04887	0.9
85.02827	8.8
85.99984	0.6
87.00771	1.5
89.02318	9.0
91.05408	2.3
93.03338	6.6
95.01266	1.4
97.02890	0.7
99.00780	1.4
99.04410	1.1
99.08018	0.7
101.02324	10.1
105.01809	0.5
105.03364	0.6
107.01320	0.5
108.02081	0.9
108.04453	1.6
109.02841	1.5
111.00786	0.8
111.04356	0.5
113.02328	6.0
115.07534	1.0
117.03365	1.6
119.03417	3.1
119.04893	1.6
121.02842	1.8
121.06499	1.4
123.04425	1.8
124.07590	0.7
125.02357	0.9
125.09616	1.0
127.03926	0.8
129.09094	4.4
133.02867	0.9
133.06491	3.2
135.00858	0.4
135.04420	12.2
136.04854	0.4
136.07579	2.9
136.51804	0.4
137.02359	1.3
139.11143	0.6
143.03368	0.8
149.02342	1.1
150.03174	1.2
151.00275	3.0
153.01881	0.6
155.03473	0.5
159.04443	1.6
161.02376	5.0
161.04453	1.4
161.05829	0.6
162.03094	1.2
163.00256	0.7
163.03912	1.6
164.04665	2.5
165.05473	9.1
166.05824	0.5
167.03525	0.6
173.04489	3.1
175.03886	3.5
176.03831	0.6
176.04803	0.7
177.05489	100.0
178.05823	5.0
178.99786	1.6
179.03436	2.2
179.04973	0.4
179.05472	0.4
189.05498	1.9
189.12801	0.7
191.05542	24.0
192.05844	1.1
193.05072	0.5
195.06560	47.4
196.06908	2.6
199.07643	1.4
199.13361	0.7
201.09135	1.1
207.06560	1.1
209.11780	2.9
227.03386	1.2
227.06946	0.8
227.12895	2.8
243.02948	3.2
245.04510	0.5
245.08139	0.9
255.02954	6.5
256.03360	0.7
257.12930	8.4
258.13168	0.5
271.02454	15.2
271.05994	2.7
272.02908	1.9
283.09726	8.1
283.15527	1.7
283.18796	1.1
284.10071	1.0
289.07193	1.7
299.01843	0.6
300.02744	26.2
301.03549	14.8
301.10788	69.7
301.20142	14.1
302.03836	0.7
302.11160	5.4
302.20477	0.7
315.13446	1.5
343.12802	1.8
353.08847	0.4
403.23407	1.5
421.24133	1.0
445.14923	0.7
445.24197	0.9
463.08704	15.6
463.15921	52.9
463.25320	72.4
464.08920	2.5
464.16248	6.9
464.25781	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03313	1.4
58.00460	1.3
59.01253	77.0
61.98711	1.0
65.00191	1.8
69.03295	1.1
69.45026	0.7
69.45385	7.6
71.01258	20.9
72.99184	3.9
73.02828	4.6
74.02335	1.0
75.00749	56.4
76.01096	1.4
77.01192	1.1
81.03342	0.9
83.01254	3.5
83.04895	1.8
84.02014	1.1
85.02831	6.2
87.00757	3.1
89.02323	18.6
90.50932	0.8
93.03331	3.4
95.01254	1.5
96.95897	0.9
97.02866	0.8
97.26745	0.8
99.00760	2.5
99.04404	1.5
101.02328	14.7
107.01295	1.2
108.02032	1.1
109.02818	2.0
109.06463	0.9
111.04469	0.9
113.02341	8.6
119.03397	7.4
121.02848	4.0
122.06016	1.1
123.04393	0.9
124.01601	1.3
125.02313	3.7
131.03416	1.6
133.02824	0.8
135.04416	3.4
137.02345	2.8
139.03906	1.3
143.03397	2.1
145.07539	1.0
149.02321	2.2
149.04388	1.0
151.00339	4.8
152.01053	1.5
161.04466	4.2
163.00311	1.7
163.11194	1.9
165.09119	1.2
172.08713	2.2
173.04456	2.6
179.03346	1.6
179.05524	3.3
191.05568	8.3
197.04468	1.0
198.06694	10.6
205.12334	5.4
209.11778	38.9
209.13771	2.2
210.12080	2.0
214.09807	2.6
227.12837	6.7
241.07288	65.5
242.07811	19.5
243.08774	8.2
253.09315	5.1
255.02934	1.3
256.09613	1.7
257.10361	3.7
271.02414	2.6
271.05893	1.9
283.02853	0.9
283.06143	4.1
285.09885	8.8
299.11514	2.1
299.99496	0.9
300.02725	4.8
300.52844	1.7
301.03522	11.2
301.06995	1.8
302.03946	1.3
311.11566	2.9
331.17502	1.2
343.03580	1.0
353.12442	1.1
358.13110	1.1
359.13611	1.1
373.14160	3.1
376.13837	3.5
377.14612	7.0
381.55450	2.1
401.14581	6.0
403.19736	5.1
419.15683	100.0
420.16101	13.1
421.20862	1.5
463.08749	8.2
463.15274	1.6
463.21893	9.1
464.08679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82299	0.2
59.01254	7.5
65.03841	0.3
66.99150	0.1
69.31968	1.5
71.01251	1.0
73.02836	0.4
81.15019	0.1
85.02844	0.4
93.03338	34.7
94.03678	0.7
101.02337	0.7
109.02844	0.3
113.02336	0.4
121.02845	0.6
122.03593	0.2
129.07004	0.6
133.02840	0.4
135.04399	0.5
137.02347	100.0
138.02686	3.1
139.03902	1.3
149.02284	0.2
151.00217	0.3
155.75798	0.2
161.04538	0.2
171.08008	1.1
173.04575	0.4
173.06015	1.4
191.05565	0.3
197.06065	1.1
203.22691	0.2
209.11845	0.4
213.05539	0.3
215.07083	6.0
216.07368	0.3
227.12967	0.2
241.05016	3.3
243.02924	0.2
255.03032	0.7
259.06119	13.9
260.06369	1.0
271.02493	1.7
272.02408	0.2
300.02716	2.8
301.03479	1.7
361.22391	0.2
403.23096	0.3
421.24426	0.3
463.08643	1.0
463.13263	0.7
463.25574	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.39409	0.6
52.24458	0.6
55.01748	2.4
57.03321	5.0
59.01255	33.2
63.02260	2.4
65.00200	7.6
69.03334	1.2
69.94844	1.4
69.95262	2.0
71.01255	36.3
72.99177	2.1
73.02822	17.2
74.02339	0.5
75.00755	3.5
75.29436	0.5
81.03339	2.0
83.01260	12.7
83.04912	1.1
85.02829	17.1
87.00763	3.2
89.02319	11.8
91.01781	0.7
93.03329	2.3
95.01244	3.9
97.02843	2.8
97.06467	0.7
98.20528	1.0
99.00763	6.8
99.04401	0.8
99.31798	0.5
101.02327	29.3
107.01273	14.2
108.02078	2.3
109.02837	3.9
111.00751	1.0
113.02321	13.4
115.03908	1.2
119.03387	2.9
119.04916	1.1
121.02840	1.9
123.04404	0.7
124.01569	5.6
125.02341	33.7
126.02632	0.7
127.03881	0.6
128.60606	0.6
128.92580	0.7
129.01863	0.7
131.01302	0.5
131.03398	1.8
135.00764	1.8
135.04385	1.7
136.01529	1.7
137.02370	1.8
139.03935	0.9
143.03387	1.9
145.02824	1.7
147.00777	3.8
148.00478	1.0
148.01566	12.4
149.02351	11.9
149.04430	2.1
151.00278	42.0
152.00781	1.3
153.01831	2.0
157.06477	0.9
159.02895	3.3
159.04411	5.3
161.02336	1.7
161.04448	17.1
163.00273	14.5
163.03893	1.2
163.11172	0.7
164.00917	1.9
165.01910	0.9
169.01335	3.3
173.02356	1.3
173.04488	1.6
175.00288	2.9
176.01117	1.4
177.01842	0.7
179.05577	0.7
183.04401	0.8
185.06065	1.2
187.03867	4.1
191.05539	6.2
192.00577	3.5
193.01311	1.4
201.05505	2.5
203.03415	1.7
205.05121	0.8
209.11778	19.8
211.03925	0.9
215.03416	1.2
219.66560	0.8
227.03510	2.8
227.12807	4.0
228.04230	1.1
229.05011	9.8
230.05270	0.8
233.04578	1.1
233.06664	1.2
239.03438	1.3
241.14436	1.0
243.02957	2.3
245.04581	2.2
253.09283	1.8
255.02979	1.5
256.03699	1.4
257.04538	2.3
271.02487	6.2
272.03214	8.6
273.04010	7.0
282.01797	0.8
283.02438	3.5
300.02698	13.9
300.52829	0.7
301.03522	100.0
302.03879	8.5
331.17621	23.7
332.17950	1.5
343.04590	5.5
381.55511	0.6
403.19705	2.0
419.19080	1.5
421.20871	1.1
463.08792	74.6
463.21829	77.5
464.09195	10.1
464.15411	1.1
464.22272	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48326	0.8
59.01252	5.9
60.25027	0.7
60.56424	0.8
65.00186	2.5
71.01248	2.7
79.53706	0.8
80.02566	1.1
81.03331	1.0
83.04882	2.1
85.02811	1.2
87.98483	0.8
89.02318	3.0
91.01767	0.8
93.03330	3.0
95.01263	3.5
101.02335	2.5
107.01265	2.7
108.02039	1.5
109.02817	1.7
109.99977	1.6
111.00768	2.3
113.02320	1.5
117.03300	0.9
119.03445	0.8
121.02818	1.7
123.00768	2.6
124.01591	1.1
125.02359	0.9
135.00734	0.8
135.04387	1.9
135.07954	0.8
136.98700	1.6
137.99478	1.1
139.00279	3.1
151.00267	5.6
152.01027	2.6
153.01802	1.6
157.06429	0.9
159.04448	1.0
161.02339	1.0
161.04465	1.0
163.00299	2.9
163.11205	2.7
165.12692	1.5
165.98947	2.3
166.99792	2.7
167.04959	0.9
171.04504	1.5
173.05957	1.4
176.04024	1.3
178.99767	4.6
179.03381	0.8
181.01297	1.4
183.04434	2.3
185.06000	1.7
187.03949	2.2
191.05545	2.6
199.03981	3.3
200.04639	1.3
201.05518	1.5
203.03365	0.9
209.11772	64.0
210.12030	1.9
211.03972	3.4
215.03473	1.5
216.04135	1.8
226.02588	2.1
227.03462	13.7
227.12833	10.1
228.03918	2.1
229.05075	2.1
239.03456	1.2
243.02963	20.0
244.03572	2.6
245.04520	1.1
253.09261	7.6
254.02074	2.4
255.02991	49.7
256.03403	5.9
257.04544	10.2
258.04709	1.1
271.02490	56.9
272.03171	20.8
273.03857	3.3
283.02487	11.3
284.03009	1.3
295.08154	1.0
299.02057	1.4
300.02759	64.9
301.03485	39.6
302.03876	2.1
325.83719	0.9
343.06604	1.8
445.07837	1.4
463.08835	100.0
464.09216	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3224
Annotation	3-hydroxyarachidonoylcarnitine
Peak:m/z	Relative Intensity
50.00208	5.3
64.01797	7.5
65.99712	12.2
72.57678	5.9
74.62847	4.5
96.95866	9.7
98.20544	14.4
106.60600	5.3
109.02836	12.4
134.02359	14.5
150.03131	12.8
180.02937	44.0
266.94736	5.1
462.32297	100.0
463.32437	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93137	0.4
65.00183	0.8
69.52909	2.0
69.53329	1.8
72.19006	0.4
107.01257	2.0
108.02003	1.5
109.02807	1.3
120.04187	0.4
121.02855	2.3
135.00768	0.6
144.36316	0.5
148.01576	1.2
151.00270	10.0
152.08888	0.6
163.00275	2.5
163.03897	0.6
164.01068	0.6
169.01311	0.6
175.84703	0.5
178.99800	6.8
199.03931	1.1
203.03424	0.5
211.03854	0.7
215.03389	0.7
226.02708	2.6
227.03418	2.2
229.05113	0.7
243.02950	9.6
244.03389	1.1
247.01503	0.5
254.02094	2.2
255.02968	23.5
256.03345	1.7
271.02463	53.0
272.02951	4.4
273.03735	1.4
283.02518	0.8
284.55402	0.4
286.29187	0.5
299.01910	1.5
300.02728	100.0
301.03470	59.4
302.03821	4.1
463.08807	71.7
464.09042	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69321	0.3
55.01751	1.0
57.03315	1.0
58.00485	0.5
59.01251	100.0
60.01590	1.3
69.03339	0.6
71.01254	10.4
71.04928	0.4
71.07371	0.8
72.99192	0.8
73.02815	4.3
73.73079	0.4
78.95744	0.4
81.57822	0.4
83.01260	4.3
85.02831	6.1
85.99967	0.3
87.00753	0.5
87.04394	2.7
89.02321	4.8
93.03339	0.9
95.01267	1.6
96.95934	0.6
97.02861	0.5
99.00748	1.7
101.02318	8.7
108.02065	0.6
109.02840	0.8
109.06520	0.7
111.00773	0.7
112.01584	0.7
113.02333	6.3
119.03432	0.6
121.02857	0.4
124.38977	0.4
125.02361	1.2
135.04388	1.9
137.02310	0.5
143.03424	1.2
151.03911	0.6
152.01100	0.5
152.99489	0.6
153.01778	0.5
161.02344	0.6
161.04440	2.0
163.11310	0.4
173.04536	1.4
190.84427	0.4
191.05579	1.7
207.10214	0.8
223.13431	1.9
224.13713	1.5
225.11299	1.1
225.14046	1.1
241.01497	1.3
242.02174	0.7
245.00772	0.6
255.09727	0.4
257.21240	1.6
267.69318	0.4
270.01834	1.2
271.02576	1.4
298.01111	0.6
299.02045	1.7
299.18771	1.5
315.12457	0.5
317.26874	0.5
327.21866	0.9
401.25433	15.7
402.25995	2.2
411.22748	0.3
419.26550	10.0
420.26968	1.4
461.07428	1.5
461.19247	0.4
461.24072	5.5
461.31076	1.4
462.24768	0.8
462.31216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
69.03325	0.8
70.91180	0.8
72.99191	0.6
73.02829	0.4
78.95783	3.8
83.04871	0.5
96.96883	0.3
110.98420	1.6
115.93645	0.4
120.63936	0.3
122.28535	0.3
125.09625	0.8
130.99156	0.3
135.11621	0.4
139.11198	2.8
153.12756	1.1
156.99136	0.3
167.01088	2.4
191.17999	3.0
224.13966	0.5
229.19597	0.4
242.56046	0.4
245.18712	0.4
247.20624	2.4
265.25644	0.4
275.20291	0.6
293.21222	100.0
294.21570	10.8
451.23718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65645	0.8
56.35810	0.8
57.03335	2.2
59.01241	4.0
61.98702	1.1
62.45509	0.8
71.01232	1.0
71.06149	1.8
78.95779	9.6
82.43953	0.8
86.01571	0.8
95.23402	0.7
96.95909	4.3
103.69149	0.8
109.06476	2.4
110.98412	7.5
113.09628	7.9
121.10130	3.3
139.11220	1.1
152.99585	1.0
167.01112	3.4
167.10704	1.4
171.10199	10.4
179.10646	1.1
183.13835	6.1
185.02106	8.2
195.13844	3.2
207.10292	2.2
211.13275	1.9
223.13380	3.6
225.11342	2.3
226.45624	0.8
249.22147	1.1
256.13074	1.2
271.02747	0.9
275.20148	14.9
276.20569	1.4
293.21225	100.0
294.21497	7.1
298.11002	0.8
299.01770	1.5
449.37827	0.8
461.23203	10.5
461.29181	1.4
462.23492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
59.01255	5.2
71.01244	0.8
71.04887	2.7
71.05954	1.7
78.95773	13.9
95.41855	0.7
96.95875	1.2
108.58117	0.7
110.98403	8.2
113.09595	1.3
121.10129	1.6
125.43514	0.7
167.01057	3.5
171.10155	2.5
172.07585	0.7
185.02130	10.1
185.11734	0.8
195.13814	0.9
207.10201	1.6
223.16980	2.5
224.55838	0.7
225.11188	1.3
231.21103	1.6
233.15549	0.7
235.16995	26.3
236.17329	1.7
270.01523	0.9
275.20132	32.6
276.20541	2.7
293.21219	100.0
294.21561	11.0
299.02246	0.8
393.45322	0.7
410.03369	0.8
461.23141	11.0
462.23660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
58.76769	0.5
59.01253	35.8
67.12431	0.5
71.01253	7.2
72.99192	3.3
73.02829	3.1
74.02338	0.8
75.00748	100.0
76.01094	1.0
82.24281	0.5
83.01267	0.9
85.02821	2.5
87.00752	0.9
89.02325	4.4
93.03356	0.7
99.04382	0.7
101.02327	4.2
102.50401	0.5
107.01254	0.8
108.91885	0.5
109.02827	1.0
113.02347	2.4
119.03399	1.1
125.02311	0.8
143.03410	0.8
151.00267	2.0
161.02353	1.8
161.04491	1.4
161.09633	0.6
177.12691	0.6
179.05482	1.0
179.10674	1.2
189.01897	2.3
191.05528	1.4
203.10670	2.6
206.09312	0.6
221.11772	9.1
222.12117	1.3
225.11295	1.2
239.12776	1.4
239.82460	0.6
281.13852	0.8
295.02432	0.7
299.02170	0.6
341.02991	8.5
342.03531	0.8
461.07297	2.9
461.15060	1.4
461.20749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
58.00466	0.8
59.01251	24.4
61.98728	0.6
64.70274	0.5
69.03319	0.9
71.01253	11.7
71.57526	0.8
72.99184	3.3
73.02817	3.4
74.02348	1.4
74.90333	0.5
75.00746	100.0
76.01091	1.0
79.95620	0.5
83.01270	1.6
83.04892	0.8
85.02818	4.1
85.61195	0.5
87.00745	1.8
89.02319	8.9
93.03364	0.8
95.01249	0.7
96.95884	2.5
99.00777	1.9
101.02323	8.4
109.02800	0.7
109.06522	0.5
113.02341	4.7
117.10350	0.5
118.97948	0.7
119.03383	3.3
121.02836	0.6
122.06124	0.5
125.02390	1.0
129.01834	0.7
131.03400	1.0
133.05013	0.5
135.04440	0.9
137.02341	0.9
143.03429	0.8
151.00290	0.9
160.81445	0.5
161.04488	2.8
173.04489	1.0
179.05586	2.4
179.07040	0.5
187.06410	0.6
189.01787	0.6
191.05518	2.3
192.04018	0.5
207.10304	0.8
221.11740	0.9
225.11223	1.0
239.12886	0.6
257.24756	0.5
259.81375	0.5
269.10284	1.6
270.01694	0.7
271.02463	1.8
281.70377	0.7
299.02136	3.0
299.05215	0.7
307.84583	0.5
339.13541	1.0
353.07169	0.6
401.14178	4.4
433.07825	0.7
461.06812	0.7
461.15067	1.5
461.20502	1.8
462.08582	0.9
482.12634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
57.06800	0.6
59.01250	100.0
60.01604	0.8
61.98700	0.6
64.95062	0.5
69.03316	0.6
71.01250	6.3
71.38205	1.0
72.97427	0.6
72.99199	1.0
73.02833	2.6
74.01584	0.5
75.00748	3.0
83.01267	1.8
85.02832	1.7
87.00769	0.8
89.00214	1.0
89.02319	4.0
93.03356	1.0
101.02319	4.2
109.02847	0.7
113.02370	1.9
119.03407	0.8
125.02354	0.9
137.93156	0.6
145.58803	0.6
149.04436	0.7
150.03987	0.5
151.00304	1.3
161.04453	1.3
173.04514	0.7
191.05594	1.9
207.10208	1.0
221.11794	1.0
225.11298	1.0
239.12907	1.5
242.02293	0.8
255.06776	1.1
270.01788	2.0
271.02490	2.1
299.02191	2.5
299.05316	0.7
300.02423	0.7
345.15460	0.7
381.05670	0.9
401.18161	0.9
433.07996	1.8
461.06860	3.0
461.20380	1.9
480.29117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01589	1.0
62.52450	0.2
69.57861	2.0
71.01254	0.9
73.02825	0.6
85.02845	0.6
87.00752	0.4
89.02278	0.3
90.76445	0.2
94.30135	0.2
101.02340	0.6
118.32094	0.3
143.03383	0.3
189.72311	0.3
210.06819	0.9
211.07602	1.9
213.05550	1.4
225.11406	0.3
247.48050	0.3
254.05797	0.6
255.06624	15.9
256.07016	1.5
285.04193	0.3
299.02039	0.5
418.62927	0.4
461.11060	0.4
468.04874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
57.03329	0.3
59.01251	14.6
60.01585	0.4
61.01653	0.3
65.03521	0.4
65.03838	4.7
69.35401	2.0
71.01260	1.8
72.99158	0.2
73.02814	0.9
83.01264	0.4
85.02827	0.5
89.02325	0.9
91.01749	1.1
93.03332	2.8
99.00737	0.2
101.02331	1.0
107.04913	8.8
108.02060	0.4
108.05258	0.3
109.02841	6.4
110.03192	0.2
113.02334	0.9
113.69218	0.2
117.20959	0.2
119.03417	0.4
119.04929	0.3
122.03671	1.3
128.63139	0.2
133.02864	0.4
134.03635	0.3
135.00787	1.8
135.04417	1.3
136.01584	0.4
137.02328	0.3
149.02287	0.4
150.03123	2.0
151.03914	100.0
152.04243	4.3
153.01834	0.7
161.04437	0.4
163.03957	2.0
177.05489	0.2
179.03380	0.3
191.05524	0.4
193.05008	0.6
207.10205	0.6
241.01334	0.4
257.08179	46.9
258.08521	3.9
270.01892	0.3
271.02499	0.2
277.09674	0.2
285.09711	0.4
299.01950	0.4
299.09286	0.6
398.02859	0.2
401.12296	1.2
419.13397	2.2
461.14532	15.5
461.24088	2.2
462.14822	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.4
60.01582	0.7
63.02287	0.5
67.01773	0.6
69.29100	4.5
71.01260	3.6
71.31345	0.4
72.97392	0.6
72.99182	0.6
73.02827	1.8
75.00752	1.5
77.03853	1.6
81.03309	0.4
83.01228	1.0
85.02834	0.9
87.00755	0.7
89.02307	2.2
93.03338	1.1
96.95792	0.4
98.20547	0.9
101.02327	2.5
105.03346	1.8
107.01294	0.7
107.04942	0.4
109.02827	0.7
109.06482	0.5
113.02348	1.2
113.45135	0.4
117.03381	2.2
119.04922	83.0
120.05257	3.8
121.02859	1.9
123.04441	0.5
125.02322	0.4
135.04424	11.0
137.02379	0.5
145.02890	0.5
149.02403	0.7
151.00253	1.0
153.01836	0.6
159.04596	0.5
161.02374	4.6
161.04477	0.9
162.03204	0.8
167.03436	0.9
173.04463	0.8
173.24020	0.5
175.03873	0.6
179.03430	32.4
180.03775	1.7
191.05531	1.8
194.02193	1.1
197.04501	17.7
207.10185	1.0
220.56642	0.4
225.11295	2.1
227.03404	0.9
239.12805	1.3
241.01413	1.3
242.02081	0.7
243.02977	1.2
245.00928	0.5
255.02899	1.2
255.06598	0.7
268.07242	0.6
269.08206	0.5
270.01654	2.0
271.02484	6.7
281.08151	4.0
282.08325	0.5
287.14951	0.9
298.01099	0.7
299.02133	10.3
299.09250	100.0
300.02551	1.2
300.06281	0.8
300.09583	10.0
301.03531	0.5
341.10196	0.6
433.07770	0.5
461.07297	4.3
461.14639	1.0
461.19580	1.9
462.08118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11946	0.5
54.72713	0.5
59.01254	12.8
65.03841	1.2
67.01765	2.3
69.53557	5.1
71.01255	2.0
72.97404	0.6
73.02812	0.7
85.02856	0.9
88.82828	0.6
89.02318	1.5
90.26885	0.5
90.52883	0.6
91.05421	0.9
93.03324	1.5
95.04895	0.7
101.02306	2.0
108.02042	1.4
109.02841	18.0
109.06483	1.1
119.03412	0.7
119.04890	0.7
121.02846	66.9
122.03199	2.2
123.04380	3.2
130.04128	0.9
133.01840	1.4
133.02855	27.8
134.03264	0.9
135.04424	15.4
137.05986	1.9
145.02811	1.0
147.04419	28.1
148.04736	1.3
149.06030	0.8
153.01840	1.2
159.04430	38.5
160.04776	2.0
161.04561	0.8
161.05904	0.6
163.11238	1.0
165.05478	10.9
177.05487	18.4
178.05893	0.9
185.06026	0.9
191.05545	1.0
199.07526	0.7
207.10193	3.2
218.59738	0.7
225.09222	0.9
225.11258	5.5
237.09155	1.9
241.01440	1.8
242.02051	0.9
253.09126	0.9
267.06549	1.0
268.07300	0.9
269.08127	1.9
270.01761	2.0
271.02426	1.9
281.08188	42.7
282.08536	4.1
285.04282	0.8
298.01215	0.8
299.02237	5.5
299.09244	100.0
300.09592	10.2
307.22284	0.7
376.96057	0.6
461.07050	1.8
461.14465	5.0
461.20047	1.1
462.14511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	17.2
64.40324	0.6
64.43705	0.6
65.03825	0.8
67.01762	2.3
71.01255	3.4
73.02836	1.6
81.63435	0.8
85.02832	1.8
87.00719	1.0
88.37647	0.7
89.02315	1.7
91.05400	2.1
93.03314	3.6
95.17575	0.8
99.00739	0.8
101.02329	2.2
109.02834	12.1
109.06467	0.8
113.02312	1.2
118.97905	0.7
119.04889	0.7
121.02841	74.5
122.03156	1.6
123.04409	2.1
130.04160	1.8
133.02849	20.8
135.04427	14.1
137.05994	2.6
147.04414	34.9
148.04747	2.0
149.05954	1.7
151.00206	0.9
151.03902	0.9
159.04419	45.8
160.04762	1.7
161.04366	0.7
165.05481	8.7
173.04514	0.8
175.03951	1.4
177.05484	28.5
178.05759	1.1
179.03462	1.1
187.07504	0.9
191.05496	2.5
199.03983	0.7
207.10156	2.2
213.05554	0.9
214.02621	1.6
225.11253	2.7
227.03497	0.8
229.28409	0.7
237.09268	1.1
241.01401	9.4
242.02119	3.5
245.00874	4.4
254.18472	0.8
269.08173	2.3
270.01666	8.5
271.02451	8.5
281.08182	32.5
282.08524	2.6
298.01199	4.2
299.02075	11.3
299.09232	100.0
300.02414	1.3
300.09525	10.2
335.77170	0.7
341.92365	0.8
401.17493	0.8
461.07193	11.0
461.14365	5.9
461.20300	3.5
462.07547	3.0
462.14154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
56.17865	0.5
58.20061	0.5
67.57653	0.5
69.93511	1.2
69.93921	2.1
79.13019	0.5
79.58866	0.6
98.20524	0.7
107.04909	30.3
108.05235	1.3
152.99507	1.1
156.43134	0.5
163.11197	100.0
164.11507	6.6
170.52473	0.6
280.14792	0.8
283.17035	25.1
284.17392	3.3
295.17050	15.1
296.17343	1.5
314.11343	0.6
459.29056	75.8
460.29425	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03325	0.5
59.01250	100.0
60.01593	1.3
69.03339	0.5
70.06289	2.2
71.01254	15.9
72.99181	0.4
73.02818	6.6
73.21987	0.4
79.79392	0.5
82.50262	0.4
83.01276	1.9
85.02818	4.3
89.02315	7.4
93.03333	2.5
95.01239	2.1
97.02851	0.6
99.00791	0.5
101.02316	8.1
109.02877	0.7
112.25848	0.4
113.02328	10.0
119.03360	2.6
119.40941	0.5
125.02399	0.6
131.03410	0.7
135.04442	1.2
137.02332	3.0
138.02730	0.7
139.02872	0.5
143.03438	0.8
161.04443	2.3
179.05536	1.3
191.05563	0.9
216.02135	0.5
270.78348	0.5
282.95715	0.4
297.17398	0.7
399.23932	1.4
417.24936	2.9
459.22443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
57.03333	0.8
58.00471	0.2
59.01250	12.1
61.70100	0.1
61.80215	0.1
69.03330	2.4
70.92374	0.3
70.92776	0.3
71.01256	5.1
71.04873	0.7
72.99174	0.3
73.02819	1.3
75.00726	0.2
81.03316	0.3
83.01269	0.5
83.04906	0.6
84.89322	0.1
85.02811	1.7
85.06459	0.4
87.00761	0.8
89.02316	4.3
93.03338	0.7
95.01282	0.5
95.04914	0.4
97.02808	0.2
97.06476	0.3
99.00751	0.3
99.04376	0.3
101.02319	5.3
108.05689	0.3
109.02847	0.3
109.06480	0.6
113.02330	2.7
119.03400	1.1
121.02807	0.4
123.08086	0.2
125.02315	0.4
125.09631	0.5
131.03404	0.3
133.04915	0.2
135.04440	0.9
135.11682	0.3
137.02335	0.3
141.09085	0.4
143.03412	0.5
147.04453	0.3
149.04402	0.2
149.09651	0.7
153.09135	0.3
161.04465	2.0
161.13268	0.4
167.10706	3.4
168.11153	0.2
173.04495	0.3
177.12776	0.8
179.05524	0.5
179.10754	1.2
179.14331	3.5
187.11241	0.4
191.05507	0.9
192.05862	0.2
195.13847	10.5
196.14256	0.8
196.15839	0.2
205.12286	9.8
206.12604	0.5
223.13353	100.0
224.13693	7.6
224.15486	0.1
235.08195	0.5
237.14928	0.2
253.09264	16.5
254.09602	1.1
297.11334	1.3
399.23804	0.3
417.24878	0.2
459.22229	2.3
459.28754	0.3
460.22626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
57.03317	0.9
59.01252	9.2
67.01746	0.2
69.03326	2.0
69.40070	0.3
69.40462	1.8
71.01257	4.5
71.04893	0.8
71.66752	0.2
72.99183	0.2
73.02828	0.9
81.03345	0.2
83.01268	0.6
83.04899	0.5
85.02828	1.2
85.06472	0.5
87.00754	0.6
89.02316	3.8
91.03875	0.3
93.03329	0.5
94.03539	0.2
95.01252	0.4
95.04919	0.3
101.02331	3.9
108.05701	0.3
109.06481	0.6
111.07999	0.5
113.02346	1.9
119.03416	1.1
125.09628	0.4
131.03444	0.2
135.04439	0.3
135.11731	0.3
141.09152	0.4
149.09625	0.7
153.09079	0.3
158.08801	0.2
161.04436	1.5
161.13222	0.5
167.10707	3.0
177.12785	0.7
179.05539	0.4
179.10754	1.3
179.14337	3.3
180.14661	0.3
187.11166	0.3
191.05467	0.5
195.13844	11.1
196.14209	0.5
200.42293	0.2
205.12276	9.9
206.12604	0.6
223.13361	100.0
224.13701	7.3
235.08221	0.7
253.09279	15.9
254.09581	0.6
459.22418	2.6
459.28946	0.3
464.55130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31287	2.0
57.03322	2.8
59.01251	100.0
60.01611	1.8
70.92667	5.0
71.01254	18.1
72.99181	2.7
73.02834	7.4
85.02832	7.6
87.00780	3.4
89.02316	13.4
93.03362	4.8
99.00742	2.8
101.02332	13.2
109.02853	3.2
113.02351	5.2
119.03398	2.0
122.24790	1.7
125.02355	2.2
128.03389	2.4
133.02890	3.8
135.04434	2.1
137.02348	2.4
138.72540	1.6
149.09703	3.0
161.04456	2.2
173.04466	7.8
177.01862	22.7
191.05557	11.2
237.07584	1.7
255.03030	2.5
279.16043	3.0
354.51807	2.2
417.21085	2.2
448.65717	1.8
453.92224	1.6
459.22672	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01582	1.3
71.01254	3.4
73.02831	1.2
83.01253	0.6
84.70316	0.4
85.02848	0.9
87.00772	0.4
89.02309	2.0
101.02297	1.9
104.18794	0.4
109.02891	0.6
113.02337	1.3
119.03393	0.7
124.58592	0.4
131.03442	0.4
161.04466	1.4
195.10097	0.6
196.15732	0.4
208.14941	0.4
275.42020	0.4
339.14655	1.0
357.15601	2.5
357.19412	0.4
399.16592	2.8
424.52481	0.4
459.18784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.9
59.01247	9.0
61.14491	2.0
67.01731	3.1
70.98905	5.3
71.01236	7.2
73.02821	46.6
82.23470	2.0
82.88918	2.0
88.19038	2.4
89.02312	7.7
96.59602	2.2
99.00733	6.6
100.23732	2.0
101.02328	3.1
109.02870	3.2
111.00767	100.0
112.01142	3.4
113.02330	2.8
115.00252	4.8
116.92759	10.3
117.01830	91.6
118.04974	5.1
118.97916	2.3
119.03397	2.2
133.78955	2.6
153.01808	4.4
173.00806	7.6
179.05521	5.0
278.26019	2.3
280.13605	2.4
336.76102	2.4
341.10846	6.6
455.09918	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	6.2
64.42804	1.6
70.90975	1.5
71.01286	2.6
71.58518	2.1
89.02321	2.8
161.04463	2.0
179.05588	5.5
207.17592	2.0
277.21713	100.0
278.22021	11.5
291.93192	1.6
385.40750	1.8
395.95959	1.8
396.12329	1.5
396.87918	1.5
456.35754	5.0
457.36707	21.2
465.49521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.9
60.00778	70.0
64.21886	0.9
69.04347	1.0
71.58988	1.6
75.20282	0.9
89.02362	1.1
91.61626	0.9
106.09290	1.1
147.08057	2.2
149.09630	1.0
152.49440	1.0
161.09625	1.2
163.11168	3.2
166.35590	1.0
187.11200	3.1
277.21835	1.5
294.21262	1.4
309.22226	1.1
337.21735	100.0
338.22122	15.1
458.23828	10.2
459.24133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96034	0.3
52.62155	0.3
55.01760	0.6
55.40681	0.3
57.03333	2.0
58.00477	0.4
59.01254	100.0
60.01586	1.5
66.56329	0.4
69.03326	0.4
70.98971	0.6
71.01258	16.6
71.04877	0.4
72.01607	0.4
72.99190	1.0
73.02827	5.1
75.00763	0.4
76.16943	0.3
81.03346	1.1
83.01268	2.4
83.04900	0.4
83.62104	0.3
85.02826	7.2
85.06496	0.3
87.00762	1.8
87.04415	0.6
89.02315	7.0
93.03335	4.6
95.01281	1.8
97.02844	0.5
97.06461	0.5
99.00776	1.3
99.04433	1.1
99.92462	0.4
101.02330	8.8
103.54064	0.3
108.02078	0.7
108.86703	0.3
109.02832	1.5
111.03271	0.3
111.04427	0.6
113.02338	11.1
115.00292	0.4
116.92772	0.6
119.03440	2.1
119.04961	0.6
121.02883	0.5
123.04391	0.3
123.08092	0.4
125.02358	1.0
125.09612	0.3
126.98998	0.3
131.03400	0.7
133.02843	0.6
134.03633	0.3
135.04420	1.7
137.02348	3.7
139.11169	0.3
143.03447	0.7
151.03947	0.4
153.00734	0.4
153.01813	1.6
155.03477	0.6
161.02356	1.1
161.04503	2.4
163.03935	0.4
171.10158	0.5
173.04480	3.3
179.03508	1.0
179.05563	0.7
191.05544	7.1
191.07135	0.6
211.13570	0.4
230.48079	0.3
231.10251	0.3
240.04276	0.4
253.08846	0.6
253.18105	0.6
260.68243	0.4
265.05319	0.4
295.10596	0.5
303.08319	0.3
313.23788	0.4
327.17847	0.4
331.81714	0.3
332.98413	0.4
337.03647	0.4
345.19592	0.3
353.08829	0.3
397.22339	3.5
398.22592	0.7
415.23383	4.3
457.15506	1.0
457.28168	0.5
458.16733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39091	0.4
57.03331	1.4
59.01254	100.0
60.01588	1.2
67.01762	0.5
69.03346	0.7
71.01256	18.6
72.01614	0.5
72.99189	1.0
73.02822	12.6
75.00757	0.6
75.82806	0.4
78.62285	0.4
81.03342	0.4
83.01266	3.7
83.04933	0.5
85.02827	5.3
87.00761	1.4
89.02319	7.1
91.26769	0.4
93.03341	40.7
94.03672	1.5
95.01256	1.1
97.02834	0.8
97.06454	0.6
99.00767	0.7
99.04401	0.7
101.02332	14.3
109.02840	0.6
111.00770	0.7
113.02349	8.8
116.92736	0.5
119.03408	2.8
119.04922	0.7
121.02807	0.6
125.02327	1.2
128.03412	0.7
131.03419	1.5
132.04395	0.4
134.03604	0.5
135.04428	1.6
137.02351	68.7
138.02690	3.2
139.54735	0.4
143.03415	1.8
149.04440	0.9
155.03433	0.8
161.02350	1.1
161.04430	3.0
173.04460	3.2
179.03508	0.8
191.05540	6.9
253.08846	0.4
253.18001	0.7
339.18143	0.6
385.94028	0.5
397.22232	1.2
405.06439	0.4
415.23434	1.5
457.14709	0.9
457.20474	1.1
457.29147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57367	0.3
52.80434	0.4
55.01773	0.5
57.03331	0.9
59.01253	100.0
60.01597	1.1
66.99358	0.3
67.01769	0.4
69.03320	0.5
71.01258	8.6
71.04893	0.4
71.58556	0.3
72.99159	0.5
73.02823	2.9
75.00767	0.5
81.03339	0.4
83.01279	1.1
85.02822	3.1
85.03211	0.3
87.00747	0.5
89.02318	3.5
93.03350	1.7
95.01266	0.9
96.96877	0.3
97.06480	0.4
99.00774	0.5
99.04410	0.7
101.02329	6.0
109.02865	1.0
111.04427	0.5
113.02329	5.2
119.03421	1.4
119.04889	0.5
121.02859	3.7
122.03172	0.4
125.02372	0.8
133.02853	0.6
135.04445	1.3
137.02362	1.0
140.32091	0.3
143.03447	0.7
149.59503	0.3
155.03392	0.3
161.02351	0.5
161.04460	1.7
163.03951	0.4
165.12790	0.3
173.04500	2.6
179.03511	0.4
179.05705	0.5
191.05537	5.7
221.11763	0.4
229.01448	0.3
253.08879	0.5
267.06796	0.4
397.22162	1.7
415.23599	1.5
448.64169	0.4
457.15137	0.9
457.31851	0.5
458.28119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
58.76213	0.3
59.01257	0.6
69.52664	1.7
69.53080	1.2
79.56449	0.3
82.08980	0.4
98.20509	0.5
127.98345	0.4
129.77173	0.4
246.35820	0.4
283.32935	0.4
455.35303	100.0
456.35657	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60579	0.6
59.01251	2.2
60.06896	0.6
68.88160	0.6
69.08091	0.8
70.25971	2.3
71.01254	33.6
72.99186	1.1
78.95782	1.4
79.29225	0.6
85.02867	0.6
89.02318	2.8
93.03326	0.6
96.96813	1.0
98.20515	0.8
101.02351	1.3
101.46663	0.7
108.02016	1.0
109.02836	1.6
110.98370	0.7
113.02332	1.1
115.00257	100.0
116.00591	2.8
118.97892	0.6
126.54573	0.6
135.04445	2.2
141.80495	0.6
152.01080	2.4
152.48039	0.6
163.03970	0.8
179.05591	0.7
184.96899	0.8
197.04550	1.3
306.69690	0.6
341.10849	2.4
458.12964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04646	0.6
59.01249	0.9
59.79960	0.6
66.17085	0.6
70.41042	0.6
71.35923	0.7
93.07620	0.7
98.20671	1.3
134.90439	0.6
182.83492	0.6
201.66116	0.6
287.92056	0.7
455.35315	100.0
456.35672	18.5
469.84418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86252	0.3
57.96727	0.3
61.98703	2.5
69.28263	0.3
70.26044	1.3
70.58239	0.2
73.91895	0.3
78.95773	7.8
78.96220	0.5
96.96822	0.4
152.99492	14.8
160.84096	1.2
162.83810	3.5
171.00522	1.7
227.03233	2.8
227.20119	100.0
228.20459	7.1
245.04276	1.3
261.81882	0.3
298.97302	0.4
418.07901	0.4
419.07959	0.4
420.07376	1.0
455.24142	17.0
456.24326	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1689
Annotation	Kushenol G
Peak:m/z	Relative Intensity
51.89393	0.4
53.67194	0.4
55.01746	0.3
59.01250	10.3
60.01550	0.3
64.32391	0.3
69.03329	0.4
71.01249	3.4
71.04872	0.6
71.58617	0.4
71.58997	0.5
72.97401	0.3
73.02813	2.1
78.95778	33.2
79.64385	0.3
79.95612	0.4
80.02551	2.8
81.03329	2.5
83.01255	1.3
83.04896	10.4
84.02031	3.0
85.02827	1.5
87.00759	0.8
89.02303	1.1
93.03330	1.0
95.01246	0.5
95.04904	1.4
96.95892	1.8
96.96859	2.9
99.00699	0.5
101.02293	1.7
108.02045	1.1
109.02812	0.8
109.06464	0.6
112.04144	0.4
113.02318	1.2
121.02798	0.7
122.03616	0.5
125.05951	1.0
135.04443	1.3
135.08018	1.6
137.02341	0.5
147.11719	0.4
149.06000	0.7
150.97939	0.9
152.01028	0.8
152.99492	42.1
153.15508	0.4
153.99858	0.7
161.02327	0.4
161.04430	0.5
163.04012	0.8
163.07668	0.5
163.11197	7.5
165.12778	4.0
166.13156	0.4
171.00540	3.4
173.04451	0.9
175.07611	0.6
181.12250	0.6
187.07562	0.4
189.09193	0.4
191.05560	2.1
191.10706	1.2
192.04269	0.4
203.07080	0.7
206.99309	0.8
209.11774	100.0
210.12134	5.8
215.07007	0.5
227.03265	3.9
227.12848	13.9
228.13129	0.9
233.08105	1.6
245.04379	1.7
363.12140	1.9
381.13028	0.7
455.16855	66.6
456.17197	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1689
Annotation	Kushenol G
Peak:m/z	Relative Intensity
53.21481	1.3
55.09129	1.2
55.44093	1.0
57.03292	1.1
59.01254	15.3
66.15281	1.3
71.01252	3.2
71.38353	3.0
75.92724	1.2
78.95780	52.2
83.04893	1.1
85.02821	1.5
89.02345	1.5
93.03356	3.9
94.32926	1.1
96.96857	3.1
101.02379	1.9
109.02838	1.7
111.08057	2.2
135.04456	2.6
137.02341	4.8
148.46004	1.3
152.99495	58.9
153.73772	1.2
165.12779	22.1
166.13115	1.3
171.00533	10.2
180.80513	1.2
183.13834	100.0
184.14124	7.0
191.05571	1.8
209.11830	3.2
227.03258	3.9
227.12839	43.3
228.13197	3.6
245.04216	2.1
324.38602	1.5
354.31876	1.3
363.12204	4.6
437.15771	3.6
455.16864	93.4
456.17163	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.7
67.59161	0.2
69.63087	1.0
69.63495	0.4
71.01252	3.0
72.99185	0.2
73.02810	0.3
77.49522	0.2
77.55591	0.2
81.03336	0.6
85.02820	0.5
87.00761	0.8
89.02306	1.3
89.03845	2.1
93.03326	0.7
95.01265	0.3
95.04919	0.3
96.95892	0.3
96.99179	0.5
99.92426	1.0
101.02323	0.4
105.03345	3.7
108.02045	2.0
109.02835	2.2
113.05972	0.3
115.91954	1.2
116.92743	8.8
117.92739	0.5
119.04920	3.2
121.02795	0.2
123.04367	0.2
129.01825	2.7
133.01836	0.5
133.02856	8.4
133.04959	7.9
133.05960	0.3
135.04442	0.2
137.02298	0.3
139.03911	0.5
149.02330	1.0
152.01088	1.7
153.01883	1.6
157.04950	0.3
161.02339	0.5
163.03905	5.0
173.04465	0.6
176.01085	0.6
177.01851	100.0
178.02206	4.7
191.05513	1.4
219.03000	0.3
315.07208	0.5
321.06131	1.8
322.06543	0.4
325.09317	0.3
339.07233	0.8
382.39856	0.2
455.02759	0.4
455.11755	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.7
63.68106	0.7
73.19449	0.6
78.95776	46.3
96.96841	3.7
98.19672	1.4
109.12701	0.7
121.34463	0.9
152.99495	60.3
171.00555	18.9
190.60396	0.7
225.18558	59.8
226.18916	5.0
227.03209	4.1
228.20549	1.4
245.04294	100.0
246.04768	3.6
314.46863	0.8
336.33304	0.8
453.22586	23.8
453.28778	1.4
454.22769	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01252	11.0
69.03323	0.2
69.32624	1.9
71.01254	2.6
72.99187	0.3
73.02813	1.2
78.95773	1.9
79.95611	2.3
81.03333	0.3
83.01260	0.5
85.02824	1.3
87.00764	0.4
89.02319	1.2
93.03331	0.8
95.01273	0.3
96.95892	100.0
96.96886	3.0
97.02792	0.2
97.95821	0.3
98.19703	0.2
98.95465	0.2
99.00747	0.2
101.02325	1.5
101.05940	0.3
107.04928	0.2
108.02045	1.9
109.02138	0.3
109.02839	3.5
111.00764	0.2
111.04381	0.2
113.02332	0.9
119.03399	0.3
119.04898	0.4
121.02841	0.2
123.04423	0.4
125.02375	0.4
133.02782	0.2
134.03641	0.2
135.04431	2.1
137.02316	0.3
143.03499	0.2
145.02844	0.2
146.03636	0.2
147.04436	1.9
149.05997	0.2
151.03996	0.2
152.01059	1.5
153.01837	2.5
159.04413	2.8
161.02371	0.2
161.04446	0.3
161.05878	0.2
163.03998	0.2
173.04431	0.5
176.03928	0.3
176.54008	0.2
179.03409	1.0
186.16362	0.2
191.05530	1.6
203.10666	0.5
205.42545	0.2
231.10228	0.5
234.91727	0.2
251.09241	0.6
263.58899	0.2
269.08228	1.9
275.09348	0.4
283.39209	0.2
287.15106	0.2
313.07196	0.5
357.08392	0.6
395.20740	0.5
413.21774	0.5
454.19644	0.2
455.14969	0.3
455.20425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27327	0.2
54.36088	0.2
55.01743	0.8
57.03302	0.6
58.00448	0.6
59.01250	24.9
65.17596	0.3
69.03299	0.8
69.46504	2.3
71.01253	9.6
72.12901	0.2
72.99161	0.8
73.02818	4.9
80.02540	0.3
83.01256	1.9
85.02833	3.5
87.00754	2.3
87.04296	0.3
89.02321	3.3
93.03289	0.9
95.01230	0.7
97.02798	0.6
98.20654	0.3
99.00719	1.0
101.01705	0.4
101.02325	6.0
107.01218	0.8
108.02081	1.5
109.02831	1.3
113.02328	2.9
119.03336	0.8
119.68965	0.2
121.02855	1.9
122.02835	0.4
122.03625	6.6
125.02309	0.8
131.03310	0.4
133.02803	0.5
134.03595	0.8
135.04361	0.5
136.01564	1.5
137.02299	1.4
149.02356	8.3
150.03142	8.8
151.03482	0.5
161.02347	7.1
161.04396	0.5
161.09612	0.3
162.03046	0.5
182.02155	1.7
187.03964	0.3
187.11215	0.3
189.05518	1.5
190.06320	1.3
191.05476	0.5
203.07024	0.7
203.10693	1.4
205.08426	0.4
209.85796	0.3
217.08575	0.6
221.11717	2.3
229.08597	0.4
231.07944	0.5
231.10201	6.9
232.10501	0.7
233.11766	0.4
247.09676	0.9
249.11305	15.7
249.14914	1.2
250.11539	1.0
291.12393	4.2
292.12741	0.4
333.13266	0.5
365.16159	0.5
383.17087	1.8
393.15460	17.1
394.15970	1.7
411.16562	40.8
412.16910	4.8
453.17633	100.0
454.17966	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08801	1.3
52.21710	1.4
57.51131	1.4
59.01249	13.7
67.70118	1.2
69.44108	4.9
69.44532	9.2
71.01261	3.6
81.03354	1.8
85.02836	2.8
93.03342	3.3
96.95908	1.6
108.02068	2.7
108.92097	1.3
109.02839	59.0
110.03217	1.7
111.83706	1.4
119.04913	1.6
121.02866	2.4
123.04429	3.1
134.03595	3.4
134.06009	1.4
135.04417	58.6
136.04794	3.2
137.02296	2.5
143.04872	2.9
145.02850	4.2
145.06508	2.1
146.03641	15.1
147.04417	15.0
148.05162	5.3
149.05977	8.5
158.03656	4.9
159.04424	54.7
160.04939	3.3
161.02333	1.9
161.05946	4.5
163.03935	8.6
171.04469	2.8
171.08189	2.2
172.05182	9.5
173.04564	1.7
173.05983	33.5
174.03152	3.1
174.06729	4.8
175.03897	7.9
175.07564	9.6
176.04729	29.8
177.05420	4.1
185.06015	8.6
186.06773	4.6
187.03975	10.5
187.07558	17.5
188.04713	10.1
189.05496	14.3
189.09193	2.4
192.04254	1.4
196.05281	3.4
197.06049	4.3
198.06783	2.7
199.07544	8.4
200.04662	10.9
200.08092	1.6
201.05501	8.9
201.09132	6.2
202.06239	1.9
205.08643	41.0
206.08905	2.3
209.05936	2.0
210.06804	1.7
211.07600	6.0
213.05508	4.4
214.06258	8.4
215.07083	33.7
215.09027	2.7
216.07756	9.7
217.08652	100.0
218.08929	4.9
225.05539	3.8
225.09149	6.3
226.06335	19.2
227.06926	1.9
227.10603	1.9
229.08670	31.0
230.09041	3.5
232.03883	1.8
240.04288	3.1
243.10287	11.8
255.10239	44.3
256.10593	3.5
263.07315	1.5
264.07892	3.6
267.06577	7.4
268.07394	10.5
279.06711	1.9
291.06613	3.2
292.07434	14.1
293.08139	5.5
306.08926	1.9
308.10535	2.1
309.11386	2.3
321.11301	32.5
322.11679	2.7
347.12869	10.8
365.13916	60.8
366.14389	8.0
409.12936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.1
62.22020	1.3
72.24824	1.1
78.06322	1.1
81.45449	1.2
88.09196	1.3
98.20605	2.5
108.02065	3.0
109.02842	52.5
121.02863	3.3
123.04362	3.3
134.03700	1.8
135.04416	63.7
136.04749	2.0
143.04936	1.7
145.02835	3.0
146.03658	16.6
147.04453	18.4
148.05258	5.9
149.05981	8.4
158.03677	4.0
159.04428	50.6
160.05151	3.2
161.06010	3.8
163.03920	6.6
171.04457	3.1
172.05199	8.4
173.06010	32.1
174.03108	1.5
174.06732	3.7
175.03969	6.0
175.07568	8.5
176.04715	25.6
177.05614	1.4
183.04500	1.6
185.05939	6.5
186.06764	4.3
187.04004	11.1
187.07571	22.8
188.04727	10.8
188.08273	2.7
189.05511	11.1
189.09152	4.2
196.05212	3.5
197.05988	5.7
199.03903	1.5
199.07507	7.5
200.04715	11.7
200.08287	1.5
201.05441	6.5
201.09128	5.4
203.06996	3.1
205.08633	31.4
206.08963	2.6
209.06094	1.3
209.97240	1.4
211.07587	3.8
213.05647	3.2
213.09209	2.3
214.06329	9.3
215.07080	42.5
215.10362	1.7
216.07822	9.4
217.08658	100.0
218.08946	7.2
225.05559	4.9
225.09171	3.1
226.06316	19.8
227.07057	2.5
227.10771	2.0
228.07893	2.7
229.08646	27.4
229.42117	1.5
235.07506	1.5
240.04227	3.0
243.10237	9.3
255.10243	43.9
256.10590	3.5
263.07120	2.4
264.07950	2.7
265.12244	1.8
267.06610	7.4
268.07385	13.6
275.07056	2.0
291.06619	3.2
292.07458	12.0
293.08160	3.9
297.64673	1.2
303.10757	1.3
306.08920	1.8
307.09988	1.6
321.11331	24.4
322.11740	1.9
347.12845	7.7
365.13943	51.9
366.14172	5.0
399.17694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.1
62.50017	0.3
62.96274	0.4
66.26070	0.3
68.99670	0.6
69.97134	1.2
69.97543	0.7
71.01250	2.1
72.99192	0.9
75.00757	1.5
78.95778	100.0
81.16670	0.3
82.89492	0.3
83.01286	0.4
87.00771	1.0
89.02318	1.2
96.99154	0.3
97.00888	0.3
98.20693	0.3
99.00768	1.6
100.95670	0.4
101.02320	0.9
103.00228	1.2
108.02055	0.5
109.02878	0.3
110.89808	2.8
110.98417	95.5
111.98740	0.7
112.98695	2.8
113.02332	0.5
115.00257	0.9
115.01986	0.4
117.01801	0.7
124.98668	0.6
127.00272	0.4
129.01773	0.4
133.04948	0.4
142.99750	0.5
145.01323	2.6
147.02881	0.5
157.01312	1.0
179.05443	0.3
187.02399	0.9
233.04741	1.2
263.05829	0.7
291.04831	0.3
293.08820	0.5
305.03476	0.5
305.06680	0.6
315.07156	0.6
331.66025	0.3
341.10904	0.6
361.05753	1.0
415.14410	0.5
421.07901	1.2
453.10471	13.5
454.10959	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.32103	0.2
61.82889	0.2
62.96267	0.3
67.39491	0.2
67.99577	0.2
70.33155	0.7
75.07059	0.2
78.95778	19.3
98.20438	0.2
111.52342	0.2
122.00004	0.8
134.98439	0.3
140.01088	5.2
152.07361	0.2
152.99512	1.7
183.17810	0.2
196.03743	10.2
214.04776	1.8
220.01691	0.2
237.22026	0.3
247.88943	0.2
255.23277	100.0
256.23618	9.9
371.75546	0.2
375.30789	0.2
452.27835	19.0
453.28217	2.6
468.75650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11908	0.4
53.28321	0.4
62.96268	0.4
67.52734	0.5
69.84180	0.5
70.15783	2.2
78.95777	100.0
95.16335	0.5
96.96267	0.8
96.96847	8.3
98.20499	0.4
98.42215	0.5
102.02365	0.4
104.50524	0.4
136.68137	0.5
140.01100	0.9
152.99489	14.9
171.00558	16.8
172.00737	0.5
173.40625	0.4
175.44992	0.5
182.24086	0.4
214.04752	1.1
255.23276	40.8
256.23639	3.1
296.28787	0.5
378.24179	1.7
393.19562	1.2
452.27817	51.1
453.28073	7.2
453.34161	0.5
466.53009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.283
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60854	0.3
62.91319	0.4
66.90311	0.4
69.17661	0.4
70.33231	1.4
70.87812	0.4
77.82350	0.4
78.95776	14.0
86.33646	0.4
91.72987	0.4
97.31716	0.4
104.97392	0.5
110.98412	10.3
123.53086	0.4
167.01073	12.4
172.46294	0.5
185.02139	2.9
187.90764	0.4
192.94339	0.4
252.30696	0.5
273.39084	0.4
280.52396	0.4
283.26413	100.0
284.26746	11.0
288.42929	0.4
292.55206	0.4
348.11380	0.4
364.57602	0.5
416.14627	0.4
451.28311	16.8
452.28760	2.1
477.88071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.2
57.03306	0.4
58.00480	0.2
58.02848	0.3
59.01250	11.5
60.01591	1.0
60.74233	0.2
61.01673	1.0
62.29711	0.2
69.03315	0.2
69.33604	1.4
70.03685	0.2
71.01250	2.8
72.01598	0.2
72.99163	0.2
73.01697	0.2
73.02816	0.4
75.00723	0.3
78.95776	0.3
80.04929	0.4
81.03332	8.5
82.03624	0.2
83.01255	0.3
83.04895	23.2
84.05244	0.8
85.02818	0.9
87.00765	0.4
89.02310	2.4
90.02661	0.3
91.02724	0.4
93.03320	0.8
95.01262	0.2
95.04913	0.2
97.02882	0.2
99.00785	0.2
99.04383	0.8
100.04764	0.3
101.02336	1.3
102.02673	0.3
107.06030	0.9
108.02065	0.7
108.04429	0.8
109.02811	1.0
113.02346	0.8
114.02637	0.2
119.03425	0.7
120.03712	0.2
123.00780	0.2
124.01557	0.7
125.02356	1.3
125.07083	2.6
126.05515	0.5
135.04454	0.7
136.01582	0.2
137.02379	0.6
143.08160	1.8
147.18478	0.2
149.99489	0.9
151.00342	0.2
152.01047	0.9
153.01849	1.4
165.05528	0.2
165.12834	0.3
166.12331	0.2
167.13474	0.2
168.00584	2.4
173.04552	0.6
176.03972	0.2
177.05672	0.3
179.03459	0.3
183.14990	0.2
187.07652	0.3
188.08040	0.2
191.05540	1.6
192.06020	0.4
193.06105	0.6
207.15120	2.8
208.14264	0.4
209.11816	1.4
209.14661	0.2
210.12241	0.8
211.12410	0.9
224.17645	4.4
224.19640	0.2
225.16066	11.0
226.16458	0.5
227.15601	0.6
231.10228	0.2
239.05621	0.3
242.18698	1.2
250.15637	0.2
253.13605	0.4
268.16730	0.2
269.13922	4.8
270.14255	4.2
271.14471	7.3
272.14999	0.3
275.09393	0.3
277.10852	0.4
284.89484	0.2
290.22726	0.4
307.24292	0.2
309.22220	0.5
315.07632	0.5
324.26492	1.7
331.07025	0.4
333.22922	3.9
339.27884	0.3
340.51901	0.2
350.24789	0.2
351.24167	1.1
367.27042	0.8
376.87891	0.2
385.28625	0.5
418.60760	0.2
433.31781	4.7
434.32565	0.7
451.08908	4.5
451.21429	8.2
451.32861	100.0
452.04065	0.2
452.09793	0.8
452.23755	0.8
452.33167	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.283
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32951	0.3
70.33340	0.3
77.97475	0.1
78.95777	17.9
85.68589	0.1
87.93227	0.1
94.40012	0.2
94.98939	0.4
98.20440	0.2
104.97359	0.7
110.98413	10.9
136.99982	0.4
152.99474	0.4
167.01065	12.5
168.01434	0.2
185.02124	2.7
239.50371	0.1
242.68047	0.2
283.26413	100.0
284.26764	10.8
284.29196	0.2
284.30121	0.2
292.32504	0.2
451.28293	17.7
452.28543	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84893	0.5
69.93472	3.4
78.95777	12.7
98.08755	0.6
104.97346	0.8
110.98410	11.8
110.99135	0.7
133.82790	0.6
135.54547	0.6
167.01076	12.0
179.42929	0.6
185.02078	3.2
205.82292	0.6
213.39053	0.7
251.83862	0.6
283.26422	100.0
284.26785	12.8
300.51584	0.7
451.28174	21.1
452.28485	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	1.0
69.46213	0.7
69.46619	4.6
71.01253	10.8
72.07030	0.5
72.99180	0.9
73.02824	4.6
78.95788	0.9
81.39781	0.7
83.01284	2.5
85.02821	4.6
87.00762	1.2
89.02309	10.3
89.90421	0.5
90.40839	0.7
94.81077	0.7
95.01287	1.3
99.00775	1.1
101.02327	9.8
104.81573	0.6
108.92953	0.5
109.02854	0.7
113.02329	5.1
119.03408	5.2
119.04911	0.6
125.02338	1.2
131.03444	0.7
135.04420	0.9
137.02348	0.8
143.03384	0.7
153.01811	1.0
161.04454	5.7
163.03856	0.6
167.03412	4.0
173.04453	0.8
179.05600	2.5
191.05592	2.6
197.56966	0.5
217.63925	0.7
228.16963	0.6
269.13727	0.6
271.06192	0.7
289.20319	2.5
305.16144	1.5
331.17737	1.3
347.17319	0.8
349.18732	1.6
391.23373	5.9
451.08856	1.2
451.26093	6.6
452.26257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44497	0.6
51.56569	0.5
55.01774	0.8
57.03323	2.0
58.00472	0.9
58.06742	0.6
59.01251	100.0
60.01578	1.5
60.99183	2.0
61.98699	1.7
69.40935	5.2
71.01257	24.7
71.44232	0.7
72.01621	0.8
72.99184	1.9
73.02818	9.2
75.00745	0.7
78.95759	0.5
83.01250	3.8
85.02826	9.4
87.00753	2.4
87.04375	0.9
88.98675	7.5
89.02317	16.1
93.03358	1.8
95.01267	1.5
98.20571	1.1
99.00777	2.0
101.02328	18.9
101.03008	0.9
103.44839	0.5
107.01218	0.7
109.02858	0.9
113.02336	9.9
118.13655	0.6
119.03388	7.6
125.02364	2.3
131.03403	1.3
135.04485	1.2
137.02368	1.2
143.03447	2.1
149.04439	0.8
151.00397	0.7
152.01028	0.8
159.02939	0.7
161.04483	5.9
167.03441	1.3
173.04510	1.3
177.07890	0.6
179.05560	3.3
191.05574	4.8
192.05852	1.0
193.06038	1.1
289.20218	5.5
391.23456	11.2
392.23367	0.6
451.08591	0.9
451.25964	15.3
452.26050	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39933	1.5
54.04308	1.7
59.01262	8.9
68.83080	1.6
69.03356	1.9
71.01270	1.5
71.13265	2.3
71.13596	2.1
72.99176	5.0
73.02851	1.5
78.95767	2.3
79.11013	1.5
83.01225	2.5
96.95889	10.0
99.00764	3.8
107.36299	1.6
111.00761	1.8
113.99466	5.6
116.92747	2.7
152.99539	2.2
156.00531	5.1
158.93059	1.6
174.01613	100.0
175.01915	3.0
191.05496	2.0
241.72699	1.6
254.05652	2.4
286.04669	3.3
289.21710	3.9
309.11328	9.6
351.21759	8.9
391.21100	6.0
451.13235	5.2
451.22986	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	1.1
61.98699	1.2
69.93350	0.8
70.02836	2.7
70.48676	0.7
71.01257	10.5
72.09650	0.6
73.02819	4.6
74.28497	0.7
74.81893	0.7
83.01278	2.1
85.02834	4.3
87.00743	1.6
89.02318	8.0
93.03369	0.8
95.01280	1.0
97.02852	0.9
98.20477	0.9
99.00760	1.4
101.02316	9.0
108.02058	7.1
109.02840	10.3
113.02331	4.9
119.03392	3.6
119.04892	0.7
121.02840	1.2
125.02402	1.5
135.00806	0.8
137.02377	1.4
143.03430	1.3
151.03931	1.5
152.01067	9.5
153.01834	14.6
154.02197	0.7
161.04448	3.8
163.03975	1.4
167.03461	2.8
171.02951	0.8
173.04530	1.2
187.13316	1.5
191.03979	0.9
191.05522	4.5
192.05872	1.1
205.08702	1.5
223.28041	0.8
232.35966	0.8
272.57294	0.7
276.09900	0.8
289.20206	1.1
297.06198	2.2
305.16171	1.4
315.07281	2.9
331.17767	3.1
349.18597	4.7
391.19833	3.2
391.23672	2.7
407.09573	3.9
408.10086	1.2
450.35086	0.8
451.08762	21.7
451.21735	2.2
452.09503	3.2
476.80978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	24.9
63.88486	3.0
69.73093	23.9
71.01260	11.4
78.95777	14.5
85.02821	4.4
87.00742	7.0
89.02319	27.5
101.02319	18.1
103.60229	3.7
108.90079	19.1
110.89793	6.3
110.98428	6.9
113.02325	8.3
117.49725	3.9
119.03375	7.9
141.01898	3.8
143.03357	4.7
158.17534	3.1
161.04466	6.3
165.03966	9.1
179.05536	12.4
253.09216	4.5
415.14554	100.0
416.14856	9.1
451.12183	69.0
452.12482	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86273	0.2
59.01251	0.6
65.03834	3.3
67.01756	1.7
69.30371	1.2
69.30797	1.8
74.34935	0.3
80.21403	0.3
88.98695	0.3
96.95934	0.4
102.68855	0.3
109.02836	62.0
110.03178	2.1
134.03654	0.5
135.04372	0.4
145.02803	0.3
153.01839	100.0
154.02182	3.9
297.11264	1.0
299.03439	0.3
304.18106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	24.9
63.88486	3.0
69.73093	23.9
71.01260	11.4
78.95777	14.5
85.02821	4.4
87.00742	7.0
89.02319	27.5
101.02319	18.1
103.60229	3.7
108.90079	19.1
110.89793	6.3
110.98428	6.9
113.02325	8.3
117.49725	3.9
119.03375	7.9
141.01898	3.8
143.03357	4.7
158.17534	3.1
161.04466	6.3
165.03966	9.1
179.05536	12.4
253.09216	4.5
415.14554	100.0
416.14856	9.1
451.12183	69.0
452.12482	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41779	0.5
52.87721	0.5
54.53492	0.5
55.01736	1.2
57.03317	1.6
58.00446	0.9
59.01250	49.4
60.01586	0.7
60.30545	0.5
60.34190	0.6
61.98704	0.7
65.13327	0.6
67.01762	0.7
69.03334	3.8
71.01252	12.2
71.18918	0.5
72.99159	1.1
73.02817	3.4
75.00738	0.9
78.95773	0.9
81.03331	4.5
82.03641	0.6
83.01249	3.1
83.04897	6.1
85.02824	7.3
87.00768	3.6
89.02325	4.7
93.03335	18.4
94.03679	1.4
95.01263	2.9
97.02824	4.7
98.19839	1.4
99.00755	1.3
99.04417	0.7
101.02327	7.1
103.03902	1.3
107.01278	1.7
107.04922	0.6
108.02060	5.1
109.02841	7.6
111.04433	1.4
113.02325	4.1
118.97957	1.5
119.03391	1.8
119.04938	1.0
121.02847	1.7
122.03687	0.6
123.00771	11.7
123.04441	0.9
124.01557	27.0
125.02341	53.2
126.02621	1.3
127.03865	1.0
133.02832	1.0
135.04422	5.0
136.01501	1.0
137.02339	21.1
137.05919	0.7
139.03979	0.6
143.03503	0.8
149.02332	1.2
149.05911	0.8
149.99490	45.1
151.00310	4.2
151.03923	0.9
152.01085	3.8
153.01851	7.8
155.03477	0.8
159.04393	1.3
161.02344	0.9
161.04517	2.2
163.00253	0.6
163.03877	0.8
165.01852	1.1
165.05428	0.8
167.03452	1.9
168.00552	80.2
169.01335	7.7
173.04460	4.1
174.04761	1.2
175.05115	0.6
176.03763	0.6
177.05493	1.6
179.03432	2.1
187.07620	3.1
188.07869	2.3
189.08142	1.6
191.03859	0.5
191.05542	13.6
192.05891	5.6
193.01292	0.7
193.06042	5.7
201.05157	0.7
202.06284	1.4
203.06592	0.9
204.06693	0.8
214.09535	0.6
215.07204	1.3
216.07558	0.6
224.17725	1.4
225.16136	3.0
231.10155	1.4
232.10487	0.9
233.10898	1.2
239.05586	1.7
258.08383	0.8
259.08575	1.0
275.09332	1.8
276.09641	2.1
277.09732	2.8
281.06708	5.1
313.05688	3.2
315.07187	2.5
331.06689	12.0
331.17484	0.7
332.07056	1.0
333.22937	0.9
349.18613	0.9
373.18646	0.8
391.23331	1.7
407.19220	1.1
433.07733	3.3
433.31650	0.9
451.08792	100.0
451.21030	3.4
451.32883	17.1
452.09152	11.1
468.51868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04359	0.7
59.01243	2.9
69.31127	7.3
70.42921	0.8
71.85430	0.8
78.95777	100.0
86.45351	0.8
96.95924	1.1
96.96838	6.3
98.19752	1.6
140.01102	15.3
152.99490	17.3
171.00557	15.4
196.03760	2.9
214.04805	28.9
220.94827	0.7
253.21672	7.9
254.22037	0.9
280.80777	0.7
376.22711	1.1
450.26236	48.9
451.26724	6.0
452.61261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21568	1.3
50.51076	1.5
55.01767	1.7
57.03312	2.8
59.01254	48.1
60.88071	1.6
60.99189	3.9
63.01141	1.6
67.01766	8.8
69.03326	5.6
69.53895	12.9
69.54298	3.1
71.01250	16.9
72.99187	2.1
73.02805	5.8
81.03346	3.2
83.01231	3.9
83.04928	2.8
85.02813	7.1
87.00772	12.1
87.25907	1.5
89.01177	1.7
89.02322	4.8
93.03341	88.5
94.03667	18.0
95.01262	3.6
96.95920	1.8
97.02838	4.3
97.03965	1.4
99.00747	2.0
101.02337	9.2
105.03330	2.2
108.02090	3.5
109.02828	6.2
111.00729	1.9
111.04403	9.1
112.04780	2.1
113.02321	3.1
119.04861	1.7
121.02854	3.1
123.00757	8.6
124.01557	18.5
125.02340	37.5
133.02838	5.1
134.03697	9.9
135.04482	14.6
136.04720	1.6
137.02350	63.8
138.02661	2.8
147.04443	2.3
149.99510	31.8
151.00233	2.4
151.03967	1.9
153.01802	4.3
161.02336	4.6
162.03079	3.1
163.03583	3.2
167.03389	1.8
168.00574	74.0
169.01346	10.8
173.04482	39.0
173.05890	1.2
174.04816	13.7
175.04997	14.7
177.01871	2.5
178.02440	2.5
188.73665	1.5
191.05557	25.5
192.05898	7.4
193.06044	8.8
215.07034	1.7
227.03448	7.1
231.10243	4.3
232.10622	3.4
235.98225	1.6
245.15315	2.8
247.08380	1.8
260.80994	1.6
275.09283	6.4
276.09573	8.5
277.09778	13.9
281.06491	1.9
289.14465	3.4
290.87335	1.7
294.50208	1.8
313.05719	17.9
331.06720	44.4
332.07071	3.0
354.09558	2.1
451.08752	100.0
451.15186	23.8
451.29181	8.0
452.09100	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04359	0.7
59.01243	2.9
69.31127	7.3
70.42921	0.8
71.85430	0.8
78.95777	100.0
86.45351	0.8
96.95924	1.1
96.96838	6.3
98.19752	1.6
140.01102	15.3
152.99490	17.3
171.00557	15.4
196.03760	2.9
214.04805	28.9
220.94827	0.7
253.21672	7.9
254.22037	0.9
280.80777	0.7
376.22711	1.1
450.26236	48.9
451.26724	6.0
452.61261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44891	0.9
55.82532	1.0
57.03314	2.5
59.01252	100.0
60.01585	5.4
61.01671	1.1
61.49197	1.0
61.98702	2.6
67.01759	2.8
69.03328	1.5
71.01254	18.5
72.99165	1.7
73.02811	5.0
75.00731	1.3
78.71394	1.0
81.03324	1.9
81.41251	1.1
83.01254	2.1
85.02822	19.3
87.00742	5.7
89.02321	13.2
93.03340	20.2
94.03688	1.4
98.19762	2.6
101.02326	11.2
109.02845	7.5
111.04395	3.8
113.02327	7.9
119.03365	5.0
121.02855	2.1
125.02346	1.3
127.03873	2.7
135.00816	1.5
137.02321	2.8
143.03404	1.7
153.01808	4.3
155.03453	1.4
160.37277	0.9
161.04446	3.8
164.70769	1.0
165.01779	1.3
173.04483	20.6
173.05893	0.8
174.04695	1.5
179.05568	2.0
191.05540	90.1
192.05804	5.6
217.03214	6.8
217.53308	2.3
223.03922	3.4
229.65573	1.5
239.03445	3.9
241.05042	2.2
267.02927	6.5
268.03369	1.1
269.04492	1.9
279.02969	2.5
285.04108	2.2
295.02408	1.3
301.04700	1.1
343.05859	1.5
359.05569	1.5
371.05368	1.3
387.05023	3.5
388.05573	1.2
409.20435	1.4
416.05280	10.5
417.06168	6.9
418.06625	1.5
434.06345	3.8
435.07025	2.8
449.24155	1.3
450.10608	2.3
451.21713	3.3
459.07254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3272
Annotation	3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
55.01752	2.4
59.01245	15.4
59.81929	1.6
66.20260	1.7
70.62857	1.6
71.15627	2.7
71.15962	3.3
78.95756	2.1
90.65797	1.8
93.03346	4.3
95.04895	5.6
99.08038	2.2
108.02048	3.4
109.02788	2.5
109.06510	1.8
111.00766	15.6
111.04394	2.9
121.06467	6.9
122.03622	4.4
123.04401	20.8
124.05194	2.2
127.11146	3.1
137.05974	5.8
154.02505	2.0
156.04181	20.2
163.07503	3.9
164.08188	1.8
172.56555	1.8
208.97614	3.4
225.00751	5.3
227.00455	4.6
243.01691	2.1
281.21930	2.8
281.24866	31.0
384.57874	1.9
387.32690	49.2
388.32947	6.3
403.32056	4.1
405.33725	100.0
406.34073	16.9
406.39102	2.9
421.33105	5.5
449.26425	4.1
449.32709	85.2
450.32922	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14367	0.4
57.03314	0.8
58.00450	0.6
59.01250	100.0
60.01600	2.2
60.36138	0.4
61.01679	1.5
61.98706	1.3
69.39403	1.4
69.39831	2.4
71.01251	10.0
71.01615	0.7
72.99155	0.6
73.02831	2.6
82.54493	0.5
83.01264	1.4
85.02817	3.2
87.00777	1.2
89.02325	5.9
93.03359	1.3
95.01288	0.7
96.83060	0.5
99.00717	0.5
101.02323	6.1
105.37826	0.5
113.02337	3.9
119.03359	2.8
123.04440	0.7
125.02357	1.5
131.03455	0.5
131.71683	0.5
137.02347	0.7
161.04463	4.3
173.04521	0.9
179.05569	1.4
184.33228	0.4
187.07642	1.5
191.05592	2.4
227.16492	1.1
231.10213	0.7
259.06268	1.2
269.04593	1.1
269.98010	0.4
275.09244	2.6
347.17194	0.8
389.21902	1.8
449.10962	0.6
449.19794	0.9
449.24643	1.6
459.92975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08319	0.4
59.01241	3.0
67.75349	0.4
68.29359	0.4
78.95777	7.4
78.96838	0.5
96.95857	0.5
110.98412	5.2
147.43549	0.4
148.05263	2.2
149.05553	0.7
163.07558	1.7
164.07855	1.0
165.08154	0.5
167.01082	4.4
185.02184	2.9
228.72919	0.4
255.23051	0.6
281.24857	100.0
282.25220	8.8
316.28674	0.5
449.26675	7.3
449.32443	0.7
450.26721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89639	0.6
55.01759	1.4
57.03325	1.8
59.01251	100.0
60.01578	1.1
60.15868	0.6
60.36584	0.6
60.99181	1.0
61.98712	0.8
67.01759	4.8
69.03333	1.8
69.38364	0.8
69.38770	5.2
71.01254	20.7
72.99177	1.4
73.02824	5.5
81.03339	1.2
83.01272	1.6
83.04890	1.4
85.02826	14.9
85.57950	0.7
87.00751	6.8
89.02322	10.2
93.03330	21.4
95.01280	2.0
99.00758	1.9
99.04424	1.4
101.02327	12.4
108.02060	1.0
109.02876	2.8
111.00778	1.2
111.04410	4.9
113.02332	7.7
119.03379	3.7
125.02359	0.8
127.03934	2.0
129.01762	0.7
131.62915	0.6
133.02829	0.7
134.03619	0.7
135.04430	2.2
137.02310	1.9
143.03386	1.7
143.10759	0.6
151.00363	0.7
151.03865	0.6
152.01108	0.9
153.01854	0.7
155.03419	2.1
158.03654	1.1
159.03099	0.9
159.04440	2.5
161.04482	8.1
165.12781	3.1
172.05211	1.5
173.04500	27.0
173.05946	2.7
174.04829	0.8
174.06761	0.7
175.07605	1.4
179.05510	1.2
183.04410	1.4
187.03986	1.3
187.07564	15.3
188.08015	1.2
191.05550	85.6
192.05861	4.2
199.07669	0.9
200.04678	1.5
201.05533	2.7
201.09279	0.8
202.06282	5.9
203.06813	0.7
203.10777	1.3
209.15419	2.8
213.09177	6.1
215.07062	4.9
216.07858	0.9
225.05521	0.8
225.14990	0.7
227.03479	0.8
228.04230	0.8
229.08720	2.6
229.83104	0.7
231.06650	1.5
231.10226	9.8
232.10474	0.8
243.06596	1.1
243.15991	2.3
257.08133	8.5
269.04501	0.8
269.13983	1.2
269.17612	0.7
275.09262	18.3
276.09579	1.9
287.05594	0.9
339.54730	0.7
347.17261	1.0
362.60190	0.6
389.21878	16.8
390.22244	2.0
390.96997	0.7
449.14484	2.8
449.24203	4.4
450.15021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2178
Annotation	Adenanthin I
Peak:m/z	Relative Intensity
50.17324	1.3
54.00069	1.5
57.03313	2.3
57.60377	1.5
59.01245	17.1
62.96294	9.1
67.01743	1.6
69.27060	2.9
69.27467	13.4
71.01261	4.2
73.02860	1.6
78.95779	27.9
80.97337	12.9
87.00703	1.9
93.03334	6.6
96.95924	4.7
99.00758	24.2
107.04938	1.7
111.00790	4.2
112.01543	1.7
116.92746	4.4
117.01812	1.8
119.04920	2.7
121.02855	7.0
123.00743	1.7
123.04363	1.9
123.08051	1.5
125.02318	6.8
125.09593	1.6
133.02809	2.1
133.06482	1.7
134.03656	2.9
135.04411	8.2
137.02383	3.0
138.03102	1.5
139.11154	2.5
145.02837	2.5
147.04451	6.6
149.00009	4.6
149.02333	4.7
149.06009	6.0
149.09564	1.5
150.03143	1.8
151.03928	14.3
152.99469	9.1
154.99918	2.6
156.00549	17.8
159.03062	1.4
159.04457	4.2
159.08133	1.7
161.02318	4.0
161.05986	6.3
161.09599	4.7
163.03905	4.6
163.07622	1.9
165.05449	2.0
168.04198	3.7
171.04510	1.5
171.10220	1.5
173.02344	1.5
173.04478	4.8
173.05992	3.6
175.03940	9.7
175.07553	2.1
177.01836	4.7
177.05417	2.4
185.05940	2.7
187.03941	3.3
187.07611	3.5
187.11200	2.2
189.01898	2.9
189.05505	4.7
189.09172	2.0
189.12840	2.8
191.03410	5.5
191.05493	4.7
191.14348	2.0
193.08636	1.5
199.07686	1.9
201.09184	3.6
202.06140	1.6
203.03401	6.8
203.07065	4.2
204.07820	3.6
205.08519	1.8
205.15909	5.1
213.09088	1.7
214.13681	1.5
215.10773	1.7
217.05048	3.0
218.09329	2.8
221.11792	2.0
242.98343	2.1
250.12071	1.6
251.12726	1.6
263.12869	2.5
271.06125	1.8
271.20517	2.0
283.20721	15.5
284.21021	2.1
287.13309	1.9
292.13162	4.8
299.20148	1.9
305.21109	2.9
306.11115	5.7
309.18564	3.2
313.17899	2.4
315.19525	7.0
317.21182	7.1
318.10788	2.8
325.18076	4.9
327.19672	32.6
328.19882	2.3
329.21283	2.6
331.19250	7.1
332.12570	9.1
333.20633	5.3
343.19165	4.9
344.12961	2.0
345.20679	35.7
346.21027	4.1
349.20123	1.6
355.16772	6.6
357.20853	8.1
359.18521	8.4
361.20245	6.1
362.13602	3.9
369.20679	11.2
371.18613	100.0
372.18936	11.6
380.14560	3.8
383.18536	11.3
385.17630	7.0
387.21725	8.2
389.19705	29.7
390.20044	5.1
395.18399	4.1
401.19724	19.0
402.19910	1.8
405.22784	4.4
413.19727	10.2
419.20782	4.0
431.20740	24.5
432.20953	2.7
449.14908	40.7
449.21814	86.0
450.15460	4.7
450.22076	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71432	1.2
59.01250	11.8
62.96284	28.3
71.01239	2.3
71.58195	2.0
78.95782	70.8
80.97346	38.1
91.91589	1.4
93.03350	6.4
96.95908	3.7
98.95484	1.9
99.00771	6.1
121.66688	1.4
123.04396	1.7
125.02321	2.0
133.02850	1.8
135.04402	4.4
145.83904	1.5
147.04462	2.8
148.99998	20.4
149.05988	1.5
151.03944	1.8
159.04416	2.5
161.06029	2.2
173.04494	7.8
173.05911	2.7
175.03876	2.8
177.01888	3.9
178.02748	1.4
187.07602	1.8
189.01845	2.5
191.03368	2.1
191.05536	5.5
192.90715	1.5
203.03436	8.9
204.04199	3.3
205.15929	9.2
215.03555	1.7
215.10902	1.4
217.05006	1.7
242.98351	6.6
275.09171	2.3
283.20755	1.7
285.12772	1.7
306.11270	6.5
313.17801	1.5
315.19666	7.2
318.11200	3.5
327.19647	2.3
331.19199	3.3
332.12634	14.3
333.21021	1.9
344.12726	2.1
355.16757	19.4
356.17014	2.1
357.20972	1.9
359.18661	7.4
360.19348	1.7
362.13803	7.0
371.18701	10.4
381.86777	1.4
383.18637	2.4
385.17874	24.9
386.18213	2.9
389.19632	1.9
401.19708	38.4
402.20135	4.8
413.19611	10.9
431.20688	30.9
432.21155	4.7
449.15088	100.0
449.21625	9.6
450.15500	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31094	0.6
57.03321	2.0
58.00467	0.9
58.17870	0.7
59.01252	64.1
62.47953	0.7
67.01760	0.9
68.68359	0.8
69.51975	2.5
69.52402	3.5
71.01253	14.0
71.01626	0.5
72.99184	1.0
83.01250	0.8
84.18301	0.7
85.02836	4.0
87.00777	1.4
89.02323	12.4
93.03339	2.1
95.01281	1.0
97.06441	0.8
98.20524	1.5
98.24168	0.6
99.04397	6.8
101.02324	6.5
113.02344	4.1
119.03386	5.4
120.25612	0.8
135.90878	0.7
149.47127	0.8
165.12744	3.5
173.04491	2.0
179.05595	1.1
187.07574	3.2
187.85466	0.7
191.05544	9.4
192.05792	0.9
202.06168	1.0
207.13809	5.3
208.14044	0.9
209.09894	1.4
209.11778	18.7
209.13770	1.0
210.12056	1.5
213.09167	1.6
225.14917	8.3
229.69299	0.8
231.10240	1.9
251.12885	5.2
269.13928	100.0
270.14267	6.9
275.09363	2.2
287.15033	1.5
339.73419	0.7
386.27084	0.8
449.20233	50.0
450.20773	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43583	0.9
57.03316	3.4
58.00459	1.0
59.01254	86.5
60.01579	1.5
62.18308	0.9
69.57887	2.7
69.58311	5.8
71.01257	18.4
72.99164	1.5
81.61787	0.9
83.01218	1.1
85.02815	4.2
89.02322	17.3
95.01276	2.2
98.19740	1.2
99.04391	10.1
101.02319	7.4
113.02316	4.2
119.03410	5.0
150.73219	1.2
165.12770	5.7
166.13112	1.2
166.47104	1.0
173.08249	0.9
189.12805	1.0
191.05556	7.1
207.13831	11.2
209.11780	31.2
210.12050	1.9
225.14941	8.9
251.12854	3.4
269.13937	100.0
270.14285	8.6
271.21664	1.0
275.09116	1.1
287.41559	0.9
304.41080	1.0
417.93250	1.2
449.20248	37.1
450.20496	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68599	0.4
59.01250	1.8
60.33055	0.4
61.46413	0.4
62.96280	24.2
70.13857	2.0
78.95778	61.9
80.97343	33.4
80.98032	0.5
93.03319	1.2
96.95879	0.9
96.96866	0.7
99.00779	1.4
116.92759	1.5
149.00002	18.1
150.00294	0.7
152.99460	1.0
156.00560	1.6
156.89458	0.6
173.04489	0.9
179.01103	1.9
191.05554	1.0
205.15894	8.7
206.16261	0.6
242.98283	5.2
243.98619	0.5
246.74052	0.5
285.12662	2.0
345.20688	1.3
355.16779	17.4
356.17163	2.0
371.18713	1.7
385.17838	22.9
386.17917	2.1
389.19766	1.8
449.14984	100.0
450.15381	9.3
450.21140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
50.68599	0.4
59.01250	1.8
60.33055	0.4
61.46413	0.4
62.96280	24.2
70.13857	2.0
78.95778	61.9
80.97343	33.4
80.98032	0.5
93.03319	1.2
96.95879	0.9
96.96866	0.7
99.00779	1.4
116.92759	1.5
149.00002	18.1
150.00294	0.7
152.99460	1.0
156.00560	1.6
156.89458	0.6
173.04489	0.9
179.01103	1.9
191.05554	1.0
205.15894	8.7
206.16261	0.6
242.98283	5.2
243.98619	0.5
246.74052	0.5
285.12662	2.0
345.20688	1.3
355.16779	17.4
356.17163	2.0
371.18713	1.7
385.17838	22.9
386.17917	2.1
389.19766	1.8
449.14984	100.0
450.15381	9.3
450.21140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91972	0.6
53.43893	0.6
57.03317	1.4
59.01255	40.0
60.01582	0.6
67.01767	1.7
67.46464	0.5
69.03316	1.3
69.39998	4.9
69.40405	1.0
71.01260	8.6
73.02811	1.0
78.95807	0.7
81.03336	1.2
83.04900	2.5
85.02819	9.2
87.00751	6.9
89.02326	7.0
89.42493	0.5
93.03342	10.7
95.01259	0.9
98.20528	1.0
98.91286	0.5
99.04433	3.6
101.02339	4.8
109.02836	1.3
111.04419	4.8
113.02343	4.0
119.03394	2.6
120.72614	0.8
127.03895	2.2
137.02365	1.2
143.03415	0.6
146.03651	1.4
149.05983	1.3
151.00266	0.6
151.07523	1.1
155.03360	3.3
158.03673	1.0
159.04427	3.1
165.12791	1.4
172.05258	4.2
173.04485	16.6
173.05998	6.0
174.04851	0.7
174.06712	0.6
175.07594	0.9
179.05545	1.1
182.03725	0.9
183.04503	1.2
186.57693	0.7
187.04089	3.3
187.07590	34.3
188.08009	2.1
191.05550	100.0
192.05838	3.9
197.05936	1.0
199.03751	0.8
200.04732	2.4
201.05519	5.5
201.09233	0.8
202.06288	13.0
203.06715	1.4
203.10706	1.6
203.61775	0.7
207.13841	4.4
209.11794	10.3
211.07503	0.9
213.09171	12.0
215.07091	11.2
216.07803	1.9
225.14926	4.3
227.03438	1.3
227.12704	0.7
228.04152	1.2
229.06645	1.1
229.08711	7.9
230.09329	0.9
231.06789	5.0
231.10234	27.5
232.03853	0.6
232.10541	1.4
247.09726	0.7
251.12897	2.8
257.08215	13.0
258.08600	0.9
267.06558	1.7
268.06894	1.4
269.07367	2.7
269.13947	55.3
270.14328	3.0
275.09265	49.1
276.09622	3.9
285.03949	1.7
285.07593	1.3
286.04437	2.1
286.08017	1.8
287.04623	3.6
287.08145	1.6
287.14972	3.0
287.37067	0.7
389.21899	0.7
397.69925	0.6
431.19086	0.8
449.14484	6.9
449.20313	29.2
449.31177	2.0
450.15222	0.9
450.20078	3.3
468.31747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.0
59.01244	3.7
60.99176	5.3
64.36848	0.6
67.01761	14.6
69.03323	4.6
71.01245	4.7
73.02819	0.7
80.45503	0.6
81.03342	1.8
81.95241	0.6
83.04885	2.4
84.54279	0.5
85.02827	1.8
87.00751	17.2
93.03336	100.0
94.03692	3.3
97.06470	0.7
99.00748	1.8
99.04370	1.0
105.03323	0.9
107.39983	0.6
109.02832	1.3
111.04407	15.8
113.02314	1.7
115.03913	0.7
129.01811	2.6
133.02806	5.9
134.03630	13.4
135.04430	11.9
137.02353	3.1
151.03914	0.9
155.03392	2.9
160.01578	1.3
161.02357	0.9
162.03105	2.0
173.04469	77.7
174.04788	2.5
177.01860	1.6
178.02728	3.0
179.03374	2.2
187.07562	0.9
191.05537	17.9
192.05872	0.8
229.45613	0.8
231.10255	7.0
257.08212	1.5
275.09283	9.1
276.09616	1.2
308.08780	1.4
352.07935	2.1
449.14465	27.1
450.14780	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
57.03325	5.2
59.01250	41.4
60.01578	0.9
63.02260	1.4
65.00192	3.2
67.01749	0.6
68.13098	0.4
69.03317	0.8
69.71763	1.9
71.00892	0.7
71.01254	8.9
71.04897	0.4
72.99172	0.7
73.02825	1.9
75.00764	0.4
78.03434	0.4
81.03325	4.7
83.01257	6.1
85.02832	3.0
87.00746	1.1
89.02317	7.0
90.04134	0.4
93.03333	5.7
95.01247	1.5
95.04888	0.5
97.02832	1.2
98.19787	0.5
99.00770	0.5
99.04391	0.4
101.02322	6.9
105.03307	0.5
107.01266	6.2
107.04905	0.7
108.02052	7.5
108.04424	1.3
108.10293	0.4
109.02834	5.4
111.00760	0.4
111.04421	0.6
113.02328	3.6
119.03388	3.6
119.04897	0.9
121.02832	1.6
123.00777	0.6
123.04404	2.9
124.01562	2.4
125.02335	39.9
126.02660	1.6
130.04041	0.4
131.01263	0.5
131.03352	0.6
131.04926	1.0
133.02853	2.8
135.00804	0.5
135.04408	0.9
137.02362	2.4
139.03883	2.7
143.03401	0.7
143.04893	0.4
145.06490	1.1
147.04373	0.7
148.40167	0.4
149.02359	2.4
149.04437	0.4
151.00275	16.6
151.03928	0.9
152.01067	9.7
152.03435	1.5
153.01842	9.9
156.05722	0.9
157.06526	0.7
158.03629	1.4
159.04396	1.1
161.02400	0.4
161.04472	2.2
163.03923	0.6
163.11314	0.4
165.01886	2.1
167.03439	1.6
169.01309	2.0
171.04457	0.5
172.05205	5.1
173.04594	0.6
173.05986	10.5
174.06367	0.5
175.00333	1.7
175.03885	2.6
177.01901	0.6
177.05484	3.3
178.99779	18.1
179.03314	0.7
179.05530	1.2
180.00163	0.7
181.01369	2.7
187.07579	1.6
191.05562	2.6
193.01297	0.7
195.02870	1.0
197.06024	0.7
199.03888	0.5
199.07529	1.3
200.04671	1.5
201.05482	2.9
203.03378	0.4
206.23488	0.4
211.28336	0.4
213.05482	0.7
214.06203	0.4
215.07074	13.1
216.07353	1.2
219.06621	0.6
241.05038	2.6
243.06589	6.0
244.06746	0.4
255.06685	0.5
259.06094	100.0
260.06387	8.1
265.05045	0.4
269.04553	1.5
269.13834	0.8
271.06116	1.1
273.07645	1.9
275.09317	0.9
283.06107	19.7
284.06567	2.0
287.05600	44.7
287.18604	0.8
288.05927	4.7
301.07187	8.2
302.07373	0.6
311.05634	1.2
313.07242	3.0
329.06607	0.4
331.08453	0.5
341.05136	0.8
343.06754	0.8
347.16949	1.3
361.09076	0.8
403.10501	0.7
421.11407	14.1
422.11707	1.8
449.10843	4.7
449.20276	3.0
450.10437	9.0
450.20496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
56.00922	0.5
57.03325	1.1
59.01247	11.4
60.99185	0.7
63.02268	2.0
64.99888	0.9
65.00197	8.9
67.01763	1.7
69.03362	0.5
69.99804	2.0
71.01254	3.1
73.02808	0.8
75.00720	0.6
80.43120	0.5
81.03306	0.5
82.48521	0.5
83.01263	4.9
85.02827	2.3
87.00768	3.0
89.02300	0.6
93.03334	12.4
94.03615	0.5
97.01562	0.6
97.06498	0.6
98.20454	0.7
99.04394	0.6
101.02317	1.6
105.03362	1.1
107.01272	16.9
108.02089	0.9
109.02824	1.9
111.04386	2.4
113.02316	1.1
124.07581	5.3
125.02332	4.1
133.02866	2.8
134.03633	5.5
135.04414	70.2
136.01695	0.7
136.04729	2.2
137.02328	1.8
148.05211	0.8
151.00276	100.0
152.00581	3.5
155.03383	0.9
161.02324	1.6
162.03049	1.2
164.01044	0.5
165.01781	1.1
169.01352	2.1
173.04472	13.9
177.01903	1.3
178.02594	0.7
187.07619	1.0
191.05537	13.4
203.10741	1.6
209.11765	0.7
231.10208	5.4
232.10771	0.6
243.14922	1.1
257.08209	2.5
269.04617	0.7
269.13937	1.9
275.06238	0.6
275.09247	11.7
276.09503	0.9
287.05621	66.7
287.14063	7.5
288.05972	5.4
297.09811	1.6
329.15308	0.6
449.10254	12.5
450.11252	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.6
64.55643	0.3
69.27868	1.7
69.28300	1.4
78.95775	5.5
79.97740	0.3
110.72726	0.3
110.98418	4.2
115.66120	0.3
152.99529	0.3
161.16724	0.3
167.01091	1.8
170.48625	0.3
176.81851	0.3
183.78795	0.3
185.02147	3.5
233.78644	0.3
250.25722	0.3
279.23276	100.0
280.23660	9.1
291.00104	0.3
312.46820	0.4
447.25159	4.6
448.25650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
54.23110	0.3
56.71949	0.3
57.03327	0.9
59.01249	7.1
63.02262	0.9
65.00204	3.3
67.01765	1.5
69.03329	0.6
69.52973	2.5
71.01255	2.8
71.04858	0.3
73.02818	0.8
81.03333	0.7
83.01268	2.1
83.04908	0.8
85.02821	9.9
87.00751	3.3
89.02296	0.5
93.03335	12.8
98.20438	0.5
99.00761	0.5
99.04395	0.8
101.02320	1.0
107.01270	6.5
108.02053	2.1
109.02831	1.8
111.04400	2.6
113.02287	0.4
119.03425	0.4
125.02335	3.3
127.03890	2.1
129.01753	0.4
133.02858	1.3
134.03616	2.2
135.04413	27.7
136.04742	1.0
137.02361	1.1
151.00273	40.7
152.00786	1.8
153.01813	0.8
155.03403	1.2
159.04407	0.4
161.02357	1.3
162.03160	0.7
165.01868	0.3
169.01299	0.7
171.02924	0.6
172.05217	2.3
173.04471	10.3
174.04840	0.5
177.01897	0.7
183.04460	0.5
187.07576	10.9
188.07918	0.5
191.05542	100.0
192.05902	3.1
199.03964	1.2
200.04695	0.4
202.06485	0.5
209.11803	0.6
213.09181	1.4
215.07065	1.9
227.03442	1.9
228.04161	1.2
229.08594	0.5
231.10263	2.6
255.03008	0.5
257.08179	13.8
258.08533	1.3
269.13968	1.2
275.09253	6.7
276.09604	0.4
285.03900	0.5
286.04282	0.5
287.05624	35.9
288.05927	3.6
295.32813	0.3
389.21844	0.4
449.10391	4.0
449.14813	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76938	0.6
54.10780	0.4
55.01751	0.6
57.03321	1.2
58.00462	0.7
59.01252	100.0
60.01582	1.5
63.02270	0.7
65.00188	1.0
69.35513	3.9
69.35918	1.3
71.01253	14.9
71.04919	0.5
72.99143	0.7
73.02823	3.1
82.77085	0.6
83.01273	2.2
85.02825	5.0
87.00784	1.0
89.02322	8.5
89.02831	0.6
90.02712	0.5
95.01290	0.8
99.00773	1.6
99.04414	0.9
101.02327	10.6
107.01317	1.9
110.28739	0.6
113.02344	9.0
119.03426	3.5
131.03470	0.6
138.06754	3.3
143.03438	1.9
151.00281	4.0
153.09120	11.1
153.10295	0.9
154.09459	0.7
159.02933	2.1
161.04475	15.1
163.00330	0.6
164.01083	1.2
166.70001	0.6
168.04236	0.9
169.01419	0.8
173.04521	0.7
179.05547	3.8
183.06560	1.5
191.05482	2.9
207.10193	0.6
207.13744	1.1
223.13397	0.9
225.14920	34.2
226.15227	2.6
227.03497	1.4
228.04405	0.6
255.03091	2.2
257.04590	0.9
267.12372	3.7
284.03290	9.5
285.04053	16.2
286.04437	1.6
321.84619	0.7
340.29565	0.6
387.20261	14.7
388.20807	1.8
414.41415	0.6
436.10437	0.6
447.09262	10.0
447.18509	1.1
448.10275	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.3
59.01251	100.0
60.01595	1.3
61.98711	1.1
63.12983	0.3
69.59709	2.4
71.01252	4.8
72.99166	0.3
73.02835	0.8
81.22077	0.3
83.01269	0.3
85.02834	1.4
87.00754	0.4
89.02316	2.9
98.20632	0.3
101.02317	3.2
102.25154	0.3
113.02352	2.0
113.43643	0.3
119.03423	1.3
123.08050	1.4
137.09677	0.4
143.03392	0.5
152.08392	0.4
153.09013	0.6
159.02855	0.4
161.04469	4.7
163.11171	0.9
173.09583	0.4
179.05562	1.6
189.12836	1.4
207.13861	4.2
223.13445	0.4
225.14967	1.3
285.04019	3.1
298.17365	0.3
338.21707	0.3
387.19843	1.5
468.80063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40227	0.3
52.39143	0.3
54.78606	0.3
58.00458	0.6
59.01251	100.0
60.01589	1.1
71.01250	8.8
71.10626	0.5
71.10947	0.4
73.02853	0.4
76.88361	0.3
85.02827	1.3
87.00748	0.6
89.02317	17.7
101.02325	4.3
111.51594	0.4
113.02322	4.6
117.54901	0.3
119.03383	7.6
131.03403	0.7
141.32129	0.3
143.02415	0.4
143.03398	1.5
149.04489	0.7
161.04454	2.4
179.05537	9.9
229.60370	0.3
251.58949	0.4
251.81844	0.3
262.16452	0.3
447.22964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	27.3
60.99176	1.6
62.23777	0.8
64.30271	0.7
67.01759	1.2
71.01258	4.4
73.02800	2.6
84.08262	0.8
85.02838	2.6
87.00763	1.0
88.98677	12.7
89.02327	1.6
93.03337	7.4
95.01248	0.8
101.02333	3.3
113.02319	2.1
119.04913	100.0
120.05260	3.6
135.04408	17.3
136.04666	1.1
137.05954	1.0
139.86659	0.8
147.04399	14.0
149.05951	1.2
159.04372	1.7
161.04559	1.6
161.05977	19.8
162.06311	1.2
165.05481	82.8
166.05872	3.7
173.04459	3.7
173.05911	1.6
179.07053	12.0
187.33553	0.7
191.05605	3.6
211.13173	1.2
227.03485	6.6
243.06583	4.3
244.07031	0.8
255.02943	10.2
256.03317	1.8
267.10318	5.6
284.03287	8.0
285.04428	5.9
285.11304	94.9
286.11667	8.4
301.03482	1.6
350.12552	0.9
387.20032	1.2
447.09128	12.8
447.26501	1.9
448.09692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12554	0.7
54.61371	0.7
55.01752	0.7
59.01246	9.1
67.01775	2.6
71.01281	0.6
73.02823	0.9
78.26544	0.7
89.02298	0.8
91.01767	2.0
93.03333	13.2
94.03667	0.9
98.19687	1.4
108.02049	2.1
109.02878	1.0
117.06973	3.4
119.04917	100.0
120.05254	3.2
122.48280	0.9
123.00774	0.7
134.87299	0.8
135.00763	1.5
135.04404	18.7
136.04765	0.9
137.05978	0.9
147.04411	20.8
149.05977	3.9
151.58427	0.7
159.04488	1.6
160.05190	1.2
161.05988	50.1
162.06352	2.1
165.05489	87.8
166.05838	3.7
173.06009	2.5
174.43471	0.7
178.89517	0.8
179.07062	16.4
180.07475	0.9
191.05508	1.0
191.07196	0.8
203.03397	0.8
207.06514	1.1
211.13246	0.8
227.03461	2.7
243.06607	11.2
244.06981	1.2
255.02971	3.1
267.10172	9.5
284.03314	2.6
285.11310	78.5
286.11600	7.2
293.19516	0.8
447.09302	2.7
447.16837	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99225	0.2
59.01252	1.7
62.96281	1.4
63.70066	0.2
68.31204	0.2
71.38100	0.4
78.95777	46.9
89.83398	0.2
95.06773	0.2
96.95352	0.2
96.95916	1.2
96.96848	3.3
97.56130	0.2
116.81345	0.2
149.00003	20.5
150.00372	0.6
152.99466	1.6
158.92444	2.3
179.01086	3.1
205.15936	1.5
227.03474	0.8
240.96684	0.5
255.02917	0.9
267.11426	0.6
284.03198	0.8
285.04144	0.4
288.10913	0.2
325.11591	0.2
347.08182	0.7
417.12363	1.0
431.10419	2.7
432.10822	0.5
443.24869	0.3
447.13440	100.0
448.13812	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1299
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.11522	0.8
59.01249	9.6
63.75727	0.8
69.03330	71.7
69.44277	1.6
69.44681	5.2
70.03648	1.2
71.01262	2.2
73.02817	1.1
79.01751	11.2
81.03321	5.1
84.31953	1.0
85.02833	1.8
93.03339	1.5
95.01265	5.9
97.02832	40.5
98.03185	1.3
101.02376	0.9
107.01273	49.2
108.02084	13.6
109.02859	9.7
112.14579	0.9
113.02317	1.8
119.60909	0.8
121.02844	7.3
122.03626	1.1
123.00795	10.1
125.02342	100.0
126.02665	3.3
133.02817	2.3
134.03604	1.1
135.00781	2.5
135.04413	3.1
135.05360	0.8
136.01559	5.4
137.02357	9.4
145.02878	1.1
149.02342	4.5
151.00284	85.0
152.00960	2.8
153.01837	14.9
161.02388	1.1
162.67572	0.9
163.03902	5.9
165.01871	0.8
169.06616	0.9
177.01866	13.1
188.84917	1.0
191.05479	1.1
194.11603	0.8
197.06046	9.5
198.06787	2.5
211.13370	2.7
215.07053	1.5
227.03439	2.3
242.05830	98.9
243.06577	56.7
244.06975	4.0
244.09653	1.1
255.02982	2.3
279.05069	4.3
284.03308	2.8
285.04205	1.6
285.07687	3.2
297.06064	9.4
298.06607	0.8
339.07220	7.5
368.98877	1.0
438.26309	1.0
447.13574	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.0
63.02268	0.4
65.00190	3.2
66.34374	0.3
67.01756	13.1
68.02104	0.6
69.43900	2.6
71.01255	4.0
72.01582	0.3
73.02812	0.6
76.89708	0.3
83.01247	1.7
85.02802	0.8
89.02319	2.7
89.03851	0.4
93.03336	0.4
93.40475	0.3
93.54207	0.4
101.02343	2.3
107.01271	6.0
109.02831	0.8
113.02312	1.6
119.03397	1.4
121.02829	0.6
125.02367	0.6
133.02873	2.0
137.02301	0.4
140.50713	0.3
149.02365	1.1
151.00273	18.3
152.00568	0.9
157.02856	3.0
161.02341	0.5
161.04459	0.6
173.04570	0.4
173.05992	1.6
175.03922	3.0
175.07535	0.5
177.01787	0.6
178.07835	0.5
183.08066	0.4
185.05966	0.7
191.05583	1.1
195.08076	0.5
196.05287	0.7
197.05960	0.5
198.03177	0.5
199.03941	10.3
199.07552	0.5
201.01851	1.4
209.06044	0.4
210.06743	1.9
211.07509	3.9
212.04747	0.6
212.07861	0.4
213.05673	0.5
217.05038	2.8
221.06085	0.4
222.06839	3.1
223.07565	8.2
224.08064	0.5
225.05548	1.2
227.03447	0.7
229.08630	0.8
241.05014	5.0
242.05423	0.5
243.02953	1.4
243.06584	1.1
255.06601	20.9
256.03790	0.4
256.06894	1.4
257.04572	0.4
267.06613	100.0
268.06946	9.4
284.03244	5.8
285.04037	67.8
285.07654	38.5
286.04385	6.1
286.07999	3.8
327.05008	1.4
387.20297	0.8
447.09082	7.0
448.09915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1298
Annotation	Belalloside B
Peak:m/z	Relative Intensity
57.95969	0.2
59.01254	3.7
65.00180	0.3
65.03824	0.4
69.93915	0.5
69.94326	0.6
71.01250	0.6
71.84415	0.2
74.29072	0.2
76.97885	0.2
80.02559	0.5
81.03341	0.4
83.67564	0.2
85.02831	0.2
91.01775	8.3
93.03336	47.5
94.03667	1.7
94.49355	0.2
95.01264	0.4
97.02849	0.2
98.20586	0.3
101.02319	0.3
107.04898	0.2
108.02053	9.4
109.02870	2.0
121.02850	1.3
123.00769	3.4
123.04406	0.8
124.01575	0.2
133.02884	0.4
133.18242	0.2
135.00780	7.9
136.01117	0.3
136.86128	0.2
137.02345	100.0
138.02684	3.8
138.03735	0.1
141.94902	0.2
149.02310	1.0
151.00233	0.3
152.01068	8.7
153.01370	0.4
173.04457	0.3
177.01917	0.4
197.05981	0.9
211.13258	0.7
213.05492	0.8
215.07135	0.4
227.03404	1.2
241.05096	0.2
243.06601	41.8
244.06944	3.6
255.03004	1.2
256.03497	0.2
284.03275	1.6
285.04031	0.5
288.40634	0.2
387.10858	2.5
388.11469	0.4
405.12094	0.3
445.95703	0.2
447.08429	0.5
447.12958	1.3
455.68079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53474	1.1
59.01257	12.6
69.03326	68.8
70.03635	1.2
71.45347	2.2
71.67213	1.0
79.01753	10.5
81.03335	3.2
83.07767	1.1
85.02818	1.7
91.01770	5.2
95.01251	5.0
96.95889	4.0
97.02827	41.9
98.03175	1.4
107.01266	40.3
108.02083	12.4
109.02821	3.7
109.98611	0.9
121.02858	2.5
123.00767	9.3
125.02336	89.1
125.34499	1.1
126.02626	1.9
133.02844	1.5
135.00778	43.7
136.01494	4.1
137.02319	4.0
145.02866	1.5
149.02321	2.3
151.00276	67.8
152.01054	23.8
153.01852	5.2
160.19565	1.0
163.03896	4.7
177.01866	8.4
185.80997	1.2
193.73219	1.3
197.05962	2.4
227.03383	1.4
229.49489	1.1
242.05811	100.0
243.06570	71.4
244.06940	5.4
255.02859	1.2
284.03177	1.6
285.07678	3.9
324.55200	1.5
328.70786	1.2
339.07324	4.2
387.10849	3.3
447.12994	28.5
448.13297	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Siebolside A
Peak:m/z	Relative Intensity
58.90472	0.3
59.01246	2.5
59.14768	0.2
65.00197	0.7
65.03809	0.3
69.03321	0.3
70.82803	0.7
70.83141	0.4
71.01229	0.3
80.02544	0.6
81.03337	0.4
91.01769	19.5
92.02088	0.6
95.01255	1.4
107.04892	1.0
108.02051	24.2
109.02155	0.5
109.02846	9.9
111.00725	0.3
113.02317	0.4
121.02840	1.1
122.99896	0.6
123.00767	7.2
124.01533	0.9
135.00778	16.4
136.01128	0.6
136.13330	0.3
136.73561	0.2
137.02342	3.7
149.02357	0.6
152.01053	21.8
153.01854	9.9
161.02254	0.3
166.87947	0.3
167.03368	0.5
169.06534	0.3
195.02863	0.7
197.05992	1.5
199.07596	0.3
207.02922	0.4
213.05502	1.1
214.05951	0.3
215.07018	0.8
225.05533	0.5
238.84724	0.4
241.04890	0.5
242.05788	0.3
243.06590	100.0
244.06915	7.2
255.02957	0.3
279.05115	1.3
297.06137	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
59.01253	4.8
61.40702	0.2
63.02283	0.2
65.00211	0.3
65.03836	0.6
66.51141	0.2
67.01785	0.4
69.03329	0.2
69.45401	1.1
72.99220	0.1
81.03327	0.3
83.01255	0.3
85.02818	0.2
87.06980	0.2
88.98689	0.2
89.02332	0.4
91.01768	2.7
92.02065	0.2
93.03339	49.2
93.33728	0.2
94.03676	1.4
95.01260	0.3
96.95928	0.3
97.02855	0.4
101.02329	0.4
107.01277	0.8
107.91783	0.1
108.02058	3.1
109.02866	0.8
113.02350	0.2
119.03419	0.2
119.05003	0.2
121.02846	1.0
123.00805	1.0
123.04378	0.8
124.01550	0.2
125.02320	0.5
132.01996	0.2
133.02859	0.5
135.00784	3.0
135.04396	0.2
135.92358	0.1
136.28543	0.2
137.02351	100.0
138.02679	3.3
149.02327	0.5
151.00278	1.7
152.01077	3.1
153.01842	0.5
159.04446	0.2
161.02371	0.2
161.04515	0.2
161.52652	0.2
163.00320	0.3
167.04953	0.2
169.01273	0.2
174.03024	0.1
177.01845	0.5
178.99742	0.3
183.04449	0.8
185.06125	0.2
187.03920	0.4
191.05574	0.6
197.06036	0.5
199.03906	0.4
201.05511	0.2
211.03900	1.1
211.13365	1.9
213.05501	0.5
215.07126	0.3
217.04959	0.2
227.03459	32.2
228.03838	2.4
229.05127	1.0
239.03447	0.3
241.05048	0.3
242.05875	0.3
243.06607	15.9
244.06973	1.3
249.36842	0.2
253.09267	0.3
255.02971	41.5
256.03555	5.8
257.04446	0.6
262.38187	0.2
267.03690	0.2
267.06635	1.8
269.85956	0.2
271.02496	0.2
283.02518	0.2
284.03265	31.7
285.04010	14.9
285.07532	1.0
285.10825	0.3
286.04462	1.3
327.05020	0.4
350.65475	0.2
387.10965	1.4
405.11856	0.2
447.09265	28.4
447.25742	0.8
448.09622	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79807	1.3
56.37870	1.3
59.01252	50.0
67.94382	1.6
68.48019	1.4
69.03326	4.6
70.15314	7.2
71.01247	11.3
73.02823	2.2
73.46825	1.5
81.03357	1.9
81.58344	1.4
83.01280	2.3
85.02819	4.4
87.00758	4.5
89.02316	15.5
93.03339	2.2
95.01266	3.5
97.02836	3.3
97.98265	1.3
98.19870	1.7
101.02326	4.3
107.01276	4.4
108.02061	1.8
109.02863	2.6
113.02340	3.5
116.67897	1.5
119.03378	1.9
123.00768	15.5
124.01561	24.4
125.02340	63.3
126.02690	2.1
133.04950	18.7
137.02338	6.0
139.03935	2.5
140.04269	1.5
141.04274	1.8
149.99489	28.1
151.00298	13.5
151.03990	2.0
153.01791	4.0
167.03455	4.6
168.00555	100.0
169.01321	21.9
179.03404	4.5
179.05518	1.9
191.05568	6.6
220.88434	1.3
242.60242	1.4
277.43802	1.6
284.03256	2.2
285.04016	4.5
299.77536	2.0
313.05649	11.5
328.87772	1.5
331.06589	2.7
447.11444	99.7
448.11786	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.2
57.03324	0.6
57.40714	0.2
58.00459	0.2
59.01254	31.0
63.02267	1.3
64.99911	0.4
65.00175	1.1
68.90670	0.2
69.33162	1.6
69.33590	0.6
71.01254	4.9
71.04898	1.1
72.99203	0.5
73.02826	1.3
75.00744	0.3
83.01270	1.6
83.04938	0.2
85.02826	2.1
87.00762	0.7
89.02319	2.5
93.03322	0.5
95.01272	0.6
99.00774	0.6
99.04412	0.3
101.02316	3.0
107.01276	3.0
109.02857	0.7
111.00779	0.2
111.07071	0.2
113.02332	1.9
117.01882	0.2
119.03396	1.1
119.04898	0.3
121.02849	0.6
123.00777	0.5
125.02356	0.3
129.01797	0.3
133.02856	4.7
133.60071	0.2
134.03658	1.2
135.00789	0.3
135.04416	0.3
137.09666	0.3
138.31221	0.2
143.03368	0.4
148.01601	0.3
149.02367	1.6
149.99496	0.5
151.00270	4.9
157.02855	0.2
159.02905	0.5
159.04620	0.2
161.02361	0.2
161.04498	1.9
163.00322	0.3
163.11230	0.4
169.01328	0.7
169.02608	0.2
171.04449	0.4
171.68970	0.2
173.04530	0.5
175.03954	1.4
176.04375	0.2
177.01836	0.5
179.05486	0.7
179.14406	0.4
183.04492	0.6
185.05965	0.4
187.03931	0.5
189.05347	0.3
191.05547	2.3
195.04578	0.3
197.06009	0.4
198.03143	0.3
199.03978	1.9
200.04678	0.5
201.01926	0.6
205.12250	0.4
207.10202	0.3
207.13840	0.6
209.11739	0.4
211.03949	1.0
212.04669	0.4
213.05505	0.5
215.03555	0.5
217.05086	0.8
223.13342	1.4
225.14966	0.5
227.03474	2.3
227.12868	0.5
228.04176	0.3
229.04944	0.5
229.08710	0.3
239.03461	0.6
240.04282	0.3
241.04976	1.2
243.02953	0.5
243.15985	0.3
255.02940	2.9
255.06650	0.7
256.03745	4.3
257.04315	0.6
267.03128	0.4
267.06595	0.8
267.12402	2.8
269.13910	0.6
283.02573	0.7
284.03268	57.4
285.04034	100.0
286.01190	0.4
286.04391	7.4
287.15009	1.8
297.04083	0.4
299.05347	0.2
327.05148	1.1
387.20151	2.6
405.21332	0.4
447.09311	61.7
447.19189	1.6
448.09653	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.2
57.03324	0.6
57.40714	0.2
58.00459	0.2
59.01254	31.0
63.02267	1.3
64.99911	0.4
65.00175	1.1
68.90670	0.2
69.33162	1.6
69.33590	0.6
71.01254	4.9
71.04898	1.1
72.99203	0.5
73.02826	1.3
75.00744	0.3
83.01270	1.6
83.04938	0.2
85.02826	2.1
87.00762	0.7
89.02319	2.5
93.03322	0.5
95.01272	0.6
99.00774	0.6
99.04412	0.3
101.02316	3.0
107.01276	3.0
109.02857	0.7
111.00779	0.2
111.07071	0.2
113.02332	1.9
117.01882	0.2
119.03396	1.1
119.04898	0.3
121.02849	0.6
123.00777	0.5
125.02356	0.3
129.01797	0.3
133.02856	4.7
133.60071	0.2
134.03658	1.2
135.00789	0.3
135.04416	0.3
137.09666	0.3
138.31221	0.2
143.03368	0.4
148.01601	0.3
149.02367	1.6
149.99496	0.5
151.00270	4.9
157.02855	0.2
159.02905	0.5
159.04620	0.2
161.02361	0.2
161.04498	1.9
163.00322	0.3
163.11230	0.4
169.01328	0.7
169.02608	0.2
171.04449	0.4
171.68970	0.2
173.04530	0.5
175.03954	1.4
176.04375	0.2
177.01836	0.5
179.05486	0.7
179.14406	0.4
183.04492	0.6
185.05965	0.4
187.03931	0.5
189.05347	0.3
191.05547	2.3
195.04578	0.3
197.06009	0.4
198.03143	0.3
199.03978	1.9
200.04678	0.5
201.01926	0.6
205.12250	0.4
207.10202	0.3
207.13840	0.6
209.11739	0.4
211.03949	1.0
212.04669	0.4
213.05505	0.5
215.03555	0.5
217.05086	0.8
223.13342	1.4
225.14966	0.5
227.03474	2.3
227.12868	0.5
228.04176	0.3
229.04944	0.5
229.08710	0.3
239.03461	0.6
240.04282	0.3
241.04976	1.2
243.02953	0.5
243.15985	0.3
255.02940	2.9
255.06650	0.7
256.03745	4.3
257.04315	0.6
267.03128	0.4
267.06595	0.8
267.12402	2.8
269.13910	0.6
283.02573	0.7
284.03268	57.4
285.04034	100.0
286.01190	0.4
286.04391	7.4
287.15009	1.8
297.04083	0.4
299.05347	0.2
327.05148	1.1
387.20151	2.6
405.21332	0.4
447.09311	61.7
447.19189	1.6
448.09653	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.2
63.02275	0.6
65.00199	0.4
65.72314	0.3
69.27988	3.1
74.84219	0.3
90.95084	0.3
93.03343	0.7
97.39324	0.3
107.01257	0.8
125.02341	0.7
135.00792	0.6
151.00288	2.4
153.01877	0.3
159.04390	0.4
163.00238	0.6
165.01846	0.4
167.04910	0.4
168.64168	0.4
169.06519	0.4
171.04424	0.4
174.03232	0.5
178.99812	0.9
183.04396	1.3
185.06026	0.5
187.03914	0.6
189.05589	0.3
211.03955	1.9
212.04446	0.3
213.05576	0.4
227.03455	68.6
228.03833	6.1
229.05049	2.4
239.03404	0.7
240.04172	0.8
241.05011	1.9
255.02971	100.0
256.03561	16.5
257.04440	2.8
283.02429	0.7
284.03256	87.5
285.03949	31.0
286.04382	2.1
288.97565	0.3
299.05600	0.4
327.05130	1.1
447.09308	57.7
448.09647	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
66.46945	0.3
69.95838	0.3
78.95770	3.8
80.76769	0.4
98.20588	0.8
105.55748	0.4
110.98430	3.5
167.01018	2.2
185.02115	4.2
229.58316	0.3
233.22543	0.4
277.21716	100.0
278.22079	11.2
278.24454	0.2
445.23666	4.1
446.23352	0.6
458.20929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	1.0
59.01250	100.0
60.01587	0.8
67.80267	0.6
69.48230	4.7
71.01253	20.4
72.99200	1.2
73.02808	0.7
83.01276	0.8
83.04913	2.3
85.02843	2.5
87.00768	1.2
89.02316	29.7
90.02675	0.6
91.20345	0.6
95.01266	1.5
99.43916	0.5
101.02317	9.8
101.89295	0.5
110.38750	0.5
113.02337	7.3
119.03389	12.5
131.03453	1.7
143.03413	3.2
144.92984	0.6
149.04509	0.8
153.09140	1.0
161.04451	3.7
179.05530	16.0
205.12427	1.6
209.11801	0.8
239.64903	0.6
241.36198	0.6
321.37650	0.6
385.18729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.0
59.01253	100.0
60.01587	1.4
69.66267	3.9
71.01257	15.8
72.99191	1.0
73.02852	0.6
83.01228	0.6
83.04916	1.8
84.34249	0.6
85.02826	2.0
87.00744	0.8
89.02319	29.1
95.01254	0.7
98.19890	1.1
101.02325	8.3
113.02342	7.1
114.46008	0.7
114.46804	0.6
119.03402	10.5
131.03439	1.0
143.03445	2.2
149.04465	1.3
161.04478	4.9
167.07031	0.7
179.05562	13.0
280.15851	0.7
304.49188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
58.00464	1.0
59.01251	100.0
60.01589	1.4
60.19184	0.4
69.53104	3.3
71.01255	12.3
73.02832	1.9
83.01269	0.6
85.02812	2.7
87.00752	1.0
89.02319	13.0
95.01283	0.7
98.70237	0.4
101.02321	6.1
107.04950	0.6
113.02325	4.6
119.03394	4.4
131.03406	0.9
137.09608	0.8
143.03444	0.8
149.04468	0.6
159.02890	0.4
161.04526	0.9
163.11183	2.2
173.07547	0.4
179.05559	1.2
187.11151	0.7
201.47897	0.5
205.12277	8.3
206.12816	0.4
272.23083	0.5
292.76398	0.4
327.11389	0.4
436.33548	0.5
445.20459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03322	2.2
58.00463	0.7
58.67934	0.4
58.78817	0.4
59.01253	100.0
60.01587	1.9
69.87194	2.3
71.01257	22.8
71.04896	0.5
72.01610	0.5
72.99194	1.3
73.02827	5.3
74.82378	0.5
75.00769	0.7
83.01267	2.3
85.02824	6.5
87.00749	1.9
89.02319	17.2
93.03378	0.6
95.01288	1.5
98.20551	0.5
99.00774	1.9
99.04417	0.5
100.30414	0.4
101.02327	11.8
109.02869	1.0
113.02338	10.1
113.06001	0.7
119.03391	7.0
121.02953	0.5
123.04452	0.5
123.08102	0.8
125.02364	0.6
125.05985	0.9
131.03423	1.2
135.04419	0.9
137.02437	0.6
137.09683	0.6
139.07498	0.4
143.03416	2.0
147.08083	0.5
149.04500	0.4
149.09602	0.5
152.03448	0.9
152.08372	0.4
153.09164	1.2
159.02960	1.5
161.02440	0.5
161.04475	11.1
165.09201	1.3
167.03391	0.5
168.00586	0.4
173.04550	0.8
177.12843	0.7
179.05522	2.1
179.10715	5.1
179.12210	0.5
187.11217	2.3
191.05580	1.6
203.10760	0.5
205.12265	11.4
205.14058	0.7
206.12640	0.8
209.11853	2.6
221.11809	0.8
223.13338	6.6
223.15292	0.4
224.13860	0.6
290.60138	0.4
347.40454	0.5
385.18799	0.9
403.19778	0.7
421.17883	0.5
445.20251	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	6-O-Benzoylsucrose
Peak:m/z	Relative Intensity
56.91491	0.5
57.03326	41.4
59.01252	25.1
61.03973	0.5
65.17252	0.6
66.03815	0.6
69.60304	1.5
69.60713	2.4
71.01250	4.3
72.99197	0.7
73.02831	1.2
83.89433	0.5
85.02821	1.3
87.00770	0.6
88.98678	0.6
89.02319	3.9
93.03349	2.9
99.04396	53.4
100.04759	1.2
101.02320	19.1
108.02050	1.2
113.02296	1.3
119.03392	1.2
121.02851	24.9
122.03065	0.7
123.04432	2.0
129.79411	0.5
137.02432	0.8
139.03917	6.4
152.01039	1.7
161.04468	100.0
162.04793	2.7
167.03438	1.9
173.02451	0.6
179.05548	1.3
181.05013	1.0
187.04013	0.7
191.05537	1.2
205.12180	0.8
221.06627	1.6
227.03194	0.6
254.05817	0.6
255.02888	4.5
261.09836	0.7
265.10925	1.3
266.11288	0.7
283.02527	7.5
301.09338	1.3
320.33823	0.6
332.97787	0.6
343.10226	1.3
359.65775	0.6
391.25735	0.5
445.07901	1.0
445.13440	17.9
446.08441	1.8
446.13818	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.2
59.01240	6.0
69.30370	8.4
71.01251	16.8
73.02825	4.6
73.97987	0.7
83.01260	1.5
85.02809	6.7
87.00740	2.1
89.02315	100.0
90.02669	1.4
93.03356	1.4
95.01287	1.3
96.88976	0.7
97.01794	0.7
99.00748	2.0
99.04375	1.9
101.02311	7.6
108.02061	2.0
109.02832	3.4
111.51487	0.8
113.02331	7.4
121.02821	1.6
122.03625	13.4
123.04427	12.3
133.04939	12.7
135.04414	1.6
137.02359	0.9
139.03947	0.9
143.03362	1.0
151.03886	1.3
153.01878	0.8
159.02904	1.4
161.04466	20.0
165.05493	1.0
167.03308	0.8
191.05571	4.1
255.02820	0.9
283.02557	1.0
285.09830	7.3
445.13608	10.0
445.19647	1.7
446.13940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.1
70.44270	3.9
71.01265	5.2
74.02349	1.4
75.00747	75.1
75.68844	1.4
77.48616	1.1
78.95805	2.1
85.02829	1.7
87.00729	1.7
87.99277	1.2
89.02325	7.7
98.19950	1.5
101.02283	2.0
101.81591	1.1
103.00254	100.0
104.03389	6.7
109.02837	1.9
113.02313	1.7
119.03392	2.6
123.04462	1.5
140.53775	1.3
161.04443	1.5
179.05548	3.3
341.10989	8.8
390.01749	1.4
413.38712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08195	0.8
59.01253	100.0
60.50883	0.7
63.65633	0.8
70.01167	4.1
70.29650	0.8
91.03867	1.8
96.95908	7.2
107.84159	0.8
111.07973	1.4
115.91927	0.9
116.92768	1.9
121.02790	3.8
126.98875	0.8
130.59743	0.7
135.04427	1.1
137.09576	0.8
171.10245	0.9
178.36746	0.9
197.11795	2.6
207.10168	1.3
230.94011	0.9
249.51282	1.0
291.19690	4.4
301.81104	0.8
309.20737	9.0
310.21173	1.0
313.07266	0.9
443.24265	3.2
444.24527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30497	0.8
55.29448	0.9
56.55200	0.8
58.74412	0.8
59.01252	100.0
60.01582	0.9
63.93165	0.7
70.12093	4.1
70.64267	0.7
71.33476	0.8
75.22653	0.8
76.14289	0.8
78.36027	0.7
78.95768	1.0
91.03913	1.1
96.95881	2.0
97.65810	0.8
98.19846	0.9
111.08018	1.3
118.13618	0.7
127.04687	0.8
155.89680	0.8
197.11726	2.0
291.19662	2.4
309.20660	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24210	1.6
56.86610	1.8
57.34578	1.5
59.01251	100.0
64.53227	1.6
71.01256	3.1
91.03884	6.2
94.24218	1.6
96.95904	7.1
98.20570	3.8
101.02364	1.9
111.08060	5.0
135.04448	1.7
170.72679	1.6
172.65106	1.6
190.15051	1.6
191.05487	2.0
193.08455	2.5
197.11757	8.1
229.63310	2.2
245.02574	5.3
263.19864	1.9
266.90637	1.8
291.19629	5.0
309.20633	13.8
318.94446	1.7
383.13129	2.0
400.70850	1.8
428.38922	2.4
443.26788	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17796	1.2
52.38128	1.5
58.54479	1.4
59.01250	100.0
60.62805	1.4
61.98695	2.0
71.01248	2.4
71.58478	1.9
84.49059	1.2
89.02302	1.6
91.03887	8.5
96.95895	17.1
109.48871	1.4
118.89787	1.5
135.04401	1.7
154.98511	1.8
195.13911	2.3
209.45192	1.3
221.15460	1.5
225.66685	1.5
267.09775	1.3
291.19666	5.0
309.20728	25.5
334.78107	1.3
421.03082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73470	0.6
50.77552	0.7
52.18195	0.7
59.01252	1.3
61.39894	0.8
62.15901	0.6
63.16314	0.7
64.29298	0.6
67.26176	0.6
71.57379	0.7
84.09261	0.7
159.08366	4.0
161.06294	2.1
173.06819	0.8
217.07074	0.9
218.23048	0.7
275.06018	1.3
277.07520	2.6
300.51779	0.8
345.14151	0.9
347.80124	0.7
357.13800	2.6
359.15338	100.0
360.15518	17.6
377.16345	2.7
427.21573	53.0
428.21756	9.5
443.24591	5.8
444.25400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78952	0.5
57.03318	2.5
59.01251	20.2
69.03316	2.1
70.07553	2.6
71.01257	30.8
72.99185	10.7
73.02805	2.9
76.46055	0.7
83.01271	1.2
85.02824	8.1
87.00781	0.8
89.02309	2.8
94.81577	0.5
96.95914	0.7
97.02850	1.9
97.06483	2.7
101.02322	4.1
106.63334	0.5
113.02323	1.7
115.00256	11.0
117.37429	0.6
118.98039	0.7
119.03427	1.2
119.08559	1.1
123.08024	0.5
125.05999	0.7
125.09595	1.4
127.11134	1.2
133.01341	3.8
135.04491	1.1
137.09628	2.5
155.10640	0.9
165.12807	1.0
171.10185	26.8
172.10562	0.9
173.04477	0.9
176.40027	0.6
183.13815	1.4
191.05498	0.8
201.11197	1.7
209.15302	0.6
211.13351	8.8
221.11755	2.0
229.14433	6.5
239.12860	1.4
239.16365	0.9
291.19788	2.8
309.20712	1.0
327.21771	100.0
328.22137	10.3
401.21808	2.2
425.21625	3.2
443.23035	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1925
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.42067	0.5
55.01757	1.7
57.03333	3.0
58.00475	0.6
59.01254	61.8
60.01585	0.8
69.03349	0.6
69.43475	1.2
69.43883	2.7
70.72872	0.4
71.01259	19.6
72.99193	1.4
73.02822	14.7
82.79679	0.4
83.01259	4.6
85.02823	8.6
85.99976	0.4
86.34400	0.4
87.00768	1.1
89.02312	5.1
89.02746	0.4
90.05280	0.5
93.03330	0.7
95.01270	1.6
97.02852	0.5
98.20652	0.6
99.00776	1.4
100.55044	0.4
101.02326	14.6
108.02127	0.5
111.00760	0.5
113.02337	6.6
119.03386	1.1
123.08065	3.2
125.02374	0.8
135.04408	0.6
137.02374	0.6
143.03398	0.6
159.02959	0.7
161.02434	0.5
161.04488	3.4
161.09621	0.9
167.75842	0.4
175.03893	1.0
175.11180	0.5
177.12807	5.7
191.05554	0.5
195.13857	2.2
221.11809	5.6
232.15471	0.4
357.19110	1.8
383.17203	1.6
401.18170	4.5
402.18475	0.8
443.19196	100.0
444.19589	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
58.00466	1.7
59.01253	34.5
71.01257	32.4
71.09388	2.9
71.09733	1.9
72.99180	2.8
73.02817	5.7
83.01276	3.9
85.02831	13.1
87.00735	2.9
88.78445	1.2
89.02313	20.1
95.01271	2.9
99.00750	2.1
101.02326	22.1
107.36503	1.2
111.04391	1.9
113.02342	11.5
114.75149	1.1
119.03388	10.1
127.22096	1.2
135.04434	1.3
143.03363	1.4
161.04396	2.1
167.05130	1.6
191.05615	3.7
207.99339	1.4
225.58211	1.3
281.13974	2.0
359.94714	1.5
361.65918	1.3
379.26257	1.2
443.19226	100.0
444.19656	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01764	2.4
55.31080	0.3
57.03323	4.9
57.32214	0.4
58.00468	1.1
59.01255	85.3
60.01588	0.8
60.54048	0.4
63.27991	0.3
69.03336	0.7
69.57206	0.6
69.57613	2.3
71.01259	28.7
72.01589	0.5
72.99186	1.5
73.02826	18.2
75.00770	0.5
77.05290	0.4
83.01257	6.5
83.41895	0.4
85.02834	11.4
85.99943	0.5
87.00759	1.3
89.02317	6.7
95.01277	1.8
97.02833	0.8
97.47630	0.4
99.00751	2.9
101.02328	20.1
102.02677	0.8
113.02340	9.1
116.94151	0.4
117.88620	0.4
119.03407	1.5
121.06418	0.6
123.08048	4.5
125.02350	0.6
131.03444	0.7
143.03412	1.0
159.02875	0.8
161.04483	4.7
161.09671	0.9
174.04265	0.4
177.12775	6.0
177.78221	0.4
194.40784	0.4
195.13864	3.6
218.32323	0.4
221.11818	5.0
300.02914	0.8
357.19125	3.2
383.17056	0.5
401.18066	2.8
443.19223	100.0
444.19574	11.2
468.84433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01762	2.3
57.03318	4.2
58.00465	1.4
59.01255	92.4
69.03295	1.2
69.50752	8.5
71.01259	25.7
73.02824	18.2
75.00785	1.0
83.01273	4.7
85.02831	12.4
87.00819	1.0
87.76120	1.0
89.02317	7.9
95.01270	2.8
97.02856	1.4
99.00763	2.8
101.02332	20.3
113.02337	12.2
119.03376	3.7
123.08070	6.7
131.03400	1.3
161.04414	3.8
177.12788	6.1
195.13857	3.5
204.01257	1.0
211.53973	1.0
221.11812	6.6
271.02505	1.0
282.72656	1.0
300.02765	1.7
320.33182	1.1
357.19431	1.8
383.17163	2.7
401.18155	3.3
443.19232	100.0
444.19470	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04962	0.6
55.01752	1.9
57.03334	3.4
58.00459	1.0
58.90982	0.5
59.01253	100.0
60.01593	1.1
63.84892	0.5
68.45496	0.5
69.03328	1.0
69.23527	6.6
71.01255	33.8
72.01623	0.7
72.99201	1.3
73.02821	19.1
75.00777	0.7
83.01266	5.4
84.05402	0.5
85.02821	14.5
87.00793	1.7
89.02318	7.5
95.01276	3.0
97.02856	1.2
99.00757	7.7
101.02329	26.4
102.02683	0.8
107.04967	0.7
108.02055	3.0
109.02887	2.2
112.01602	0.7
113.02337	15.3
114.02665	0.5
119.03394	1.3
123.08089	2.1
125.02400	2.0
126.52674	0.5
131.03438	1.4
143.03450	2.4
152.01038	3.2
153.01901	1.7
159.02974	1.8
161.04466	9.9
177.12781	3.6
190.02686	0.6
191.05563	0.9
195.13939	1.6
221.11794	2.7
251.09435	1.7
269.10297	16.9
270.10764	1.2
288.84958	0.6
308.44217	0.6
311.11459	2.7
315.07309	4.8
357.19531	1.6
388.70441	0.7
401.14456	22.5
402.14673	3.3
443.19757	48.1
444.20316	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.9
59.46416	2.4
60.99156	3.4
67.01780	3.5
68.01269	3.0
71.01249	10.6
71.49175	2.8
71.49505	3.9
72.99189	8.0
85.02830	15.2
87.00763	9.6
88.98687	9.6
89.02326	5.8
93.03357	11.3
101.02335	4.8
109.02831	6.7
119.03384	2.7
119.04922	20.8
123.04383	2.8
125.02354	2.6
127.03929	3.3
135.04485	6.3
137.02348	9.6
149.02367	5.2
151.03934	5.2
153.01860	4.4
155.03467	2.8
161.02342	3.4
163.03900	21.6
165.01817	4.4
167.24609	2.3
171.02940	3.1
173.04468	13.4
176.03531	5.3
177.01816	5.2
179.03519	5.3
191.05542	100.0
192.05939	5.6
204.02806	2.9
205.01349	4.0
206.04512	3.3
230.06564	3.0
230.96669	3.0
232.02530	13.5
250.03572	26.3
303.38455	3.0
424.08878	3.3
443.19235	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30461	0.9
55.98018	1.0
59.01251	100.0
69.47546	1.0
71.58115	1.6
79.95576	1.0
92.92737	1.2
107.11979	1.0
121.67355	1.0
133.53625	1.1
142.23181	1.0
149.66284	1.0
195.43904	1.1
200.16017	1.1
238.83990	1.2
289.17920	2.4
298.97769	1.1
300.06729	1.1
307.19064	3.2
414.03922	1.1
441.28964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56403	0.7
54.77716	0.6
57.03329	1.7
59.01252	100.0
60.01575	1.1
61.98736	0.8
66.40325	0.6
71.01258	6.8
71.58841	1.2
73.02832	2.0
76.38176	0.6
81.74098	0.7
82.80888	0.6
83.01283	0.9
83.04900	1.1
85.02845	3.1
87.00737	1.8
88.01668	0.6
89.02323	2.2
93.03337	20.5
93.03920	1.2
94.82007	0.6
96.95857	0.8
96.96854	0.8
99.00770	0.8
101.02329	3.8
109.02857	1.0
112.88982	0.6
113.02306	3.7
116.92744	0.8
119.03404	0.7
125.02325	1.1
131.07025	0.9
135.04427	1.3
137.02348	33.3
138.02711	1.9
139.11168	3.7
141.12758	0.8
143.03419	0.7
149.47198	0.6
151.04005	0.8
167.14255	0.8
173.04507	1.3
179.10840	0.7
180.99942	0.7
183.10269	1.8
185.11819	1.2
191.05527	3.5
201.11259	5.4
201.41203	0.8
215.12830	9.5
216.13283	0.7
227.12891	1.0
229.14526	0.8
233.11836	1.4
237.14850	0.8
242.18433	1.3
251.12744	1.5
293.21231	8.1
294.21387	0.8
315.19843	1.2
333.20856	2.3
345.20810	1.5
351.21844	1.3
367.66733	0.8
381.15692	2.7
399.16519	1.3
399.23996	1.4
441.18146	1.2
441.30685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	0.9
63.41572	1.0
63.47462	1.0
65.17967	1.0
70.37641	2.9
96.95901	1.6
118.12847	1.3
198.90346	1.1
217.00089	1.4
289.18097	3.1
307.19165	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.4
58.00438	1.4
59.01251	23.7
61.23967	1.2
69.03326	1.1
70.64439	2.0
71.01254	47.5
71.04884	1.6
72.99187	13.2
73.02814	1.9
75.00722	1.1
79.95644	1.5
80.02518	1.7
81.03307	1.4
83.01215	1.2
83.04886	1.8
85.02821	2.6
85.94676	1.1
87.00746	2.1
87.04377	1.2
89.02341	1.4
93.03329	2.8
97.06475	3.4
101.02313	2.1
111.08039	11.3
115.00256	28.5
123.08075	2.9
125.09621	18.2
127.11140	6.8
133.01329	24.1
135.04414	1.3
137.02344	6.1
137.09671	6.5
139.11151	2.4
141.09114	1.9
141.21889	1.1
149.09624	1.2
151.11140	3.4
153.09114	5.3
155.10664	3.1
164.08339	1.8
165.09157	2.5
167.10713	1.6
169.12215	1.8
171.10181	12.9
172.02290	1.2
183.10207	1.3
183.90076	1.2
193.08441	2.5
195.10127	2.5
199.09647	2.1
201.11270	51.2
202.11600	2.0
213.11273	35.4
214.11606	2.3
215.12805	3.5
227.12857	5.0
245.19089	2.6
289.18097	15.8
293.21213	3.6
301.68805	1.5
307.19128	39.0
308.19492	1.9
325.20190	100.0
326.20554	9.7
423.20190	2.3
441.21661	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39378	11.5
59.01232	68.3
64.60367	13.6
66.47815	13.5
69.77155	100.0
71.01254	47.5
72.99173	13.6
78.55066	14.7
85.02818	23.2
87.00735	13.9
89.02303	21.6
93.03328	31.7
96.96866	14.7
107.04868	19.8
108.02114	14.4
109.02863	18.7
118.97743	15.0
119.04881	46.2
123.04389	19.3
135.04407	18.0
137.02344	32.9
137.25722	14.6
153.01755	17.5
163.03940	58.7
173.04378	22.4
189.01764	14.2
191.05562	45.1
198.37711	14.6
199.54315	14.6
213.97913	14.1
237.07619	45.6
344.28943	16.2
385.55893	13.6
441.13617	35.8
441.18835	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	73.6
69.34801	14.9
69.95223	85.0
71.01252	37.6
73.02802	16.7
75.00737	34.1
83.01277	16.8
85.02831	34.7
87.00757	18.3
89.02298	20.5
93.03331	35.4
101.02343	34.5
103.15999	16.8
107.04893	19.4
108.02052	57.7
109.02882	31.1
113.02309	19.1
119.04912	44.8
135.04387	25.2
142.05038	14.5
143.03476	18.6
150.37317	15.5
152.01018	65.4
153.01714	28.7
163.03896	43.6
191.05562	80.1
199.81050	16.2
222.98425	16.1
266.79883	14.5
441.12357	100.0
441.18881	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41908	0.2
59.01251	11.8
71.01259	2.5
73.02822	0.8
77.03835	0.3
79.00655	0.3
83.01318	0.2
85.02837	1.0
85.44126	0.2
89.02341	0.8
89.43446	0.2
93.03333	1.7
97.09586	0.2
98.20595	0.3
101.02335	0.8
105.87741	0.2
107.20681	0.2
107.23613	0.3
113.02345	0.5
115.00243	0.6
119.03342	0.5
121.02844	100.0
122.03178	3.6
130.08617	0.3
133.02908	0.6
135.00854	0.3
135.04419	1.6
137.02344	1.4
153.05606	0.3
157.06548	0.7
161.02278	0.4
173.04488	0.7
175.07506	0.3
175.74635	0.3
176.03952	0.8
177.23828	0.3
178.02643	0.4
179.03465	0.4
186.39288	0.2
191.05556	0.9
201.05490	0.7
207.13817	0.3
227.07039	0.3
243.80052	0.3
261.07672	1.1
399.20157	0.4
441.14084	0.9
441.21494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.3
59.01252	15.3
69.03303	0.3
69.87356	0.2
71.01259	2.1
72.99183	0.4
73.02819	1.0
76.98625	0.3
78.95757	0.4
83.01276	0.3
85.02832	1.0
87.00761	0.4
89.02320	0.8
93.03343	7.1
96.95913	0.3
96.96835	0.3
97.02858	0.3
99.00734	0.2
99.04421	0.3
101.02337	1.3
108.02072	0.4
109.02858	0.4
111.00650	0.2
113.02346	0.5
121.02851	100.0
122.03179	3.5
135.04454	1.2
137.02351	14.6
138.02686	0.4
141.58873	0.2
147.04350	0.4
149.05917	0.2
161.02386	0.6
161.04556	0.6
163.03955	0.3
173.04561	1.4
173.05801	0.3
175.03809	0.3
176.03957	0.7
179.03368	0.5
191.05525	1.4
219.06534	0.3
225.59537	0.2
229.61842	0.3
239.35280	0.3
279.19534	0.2
343.77655	0.2
441.25500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98988	0.3
57.03320	0.7
58.00471	0.4
59.01252	7.8
65.03826	0.7
71.01263	1.5
71.04866	0.3
73.02796	0.7
77.47651	0.3
79.95609	0.3
84.02008	0.3
85.02793	0.6
87.00760	1.0
93.03335	63.2
94.03671	2.1
94.89510	0.4
95.01271	0.5
97.02856	0.3
98.20558	0.8
101.02343	0.6
120.74844	0.3
127.68739	0.3
133.03894	0.4
134.04611	3.0
137.02344	100.0
138.02676	4.0
139.11174	5.3
162.10007	0.3
165.91103	0.3
167.10707	1.3
179.10616	0.4
183.10257	1.7
191.05545	0.6
199.13315	0.6
201.11267	8.2
211.32262	0.3
213.11238	0.4
215.12798	1.8
229.26465	0.3
237.11345	0.5
293.21231	7.8
294.21622	0.6
315.19586	0.5
333.20602	2.6
338.59030	0.3
341.29941	0.3
342.95740	0.3
351.21939	1.3
381.15570	1.4
399.16803	1.3
441.17673	2.6
441.24307	0.7
442.17981	0.8
442.24762	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.5
59.01253	10.5
70.86182	1.2
71.01248	3.5
73.02807	0.6
83.01228	0.4
83.04890	0.4
85.02837	1.2
87.00745	1.4
89.02321	12.6
93.03350	1.6
101.02321	1.8
101.30126	0.4
107.04943	0.7
108.02056	1.7
109.02818	0.7
113.02347	0.9
119.04917	100.0
120.05263	4.1
123.04425	0.4
125.25135	0.4
133.04967	6.6
135.04419	1.4
137.02354	0.6
142.27930	0.4
153.01837	0.5
157.06534	0.5
159.04439	0.6
161.04448	0.6
163.03920	89.4
164.04262	4.3
173.04549	1.0
175.07613	0.9
179.03351	0.4
182.15919	0.4
191.05544	1.7
201.05504	0.7
219.06592	2.5
221.78265	0.4
243.06645	0.9
251.11382	1.1
293.12146	0.6
307.08206	3.0
325.09250	3.6
411.74667	0.4
423.12796	0.8
441.13385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1402
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
57.03306	1.4
58.00458	0.9
59.01248	75.7
60.01575	1.3
65.92155	0.9
69.03312	1.8
71.01255	29.9
71.58503	0.9
71.58868	1.2
72.99181	2.1
73.02814	34.5
75.00714	0.9
79.05393	3.1
83.01257	9.0
85.02824	5.4
87.00753	2.9
89.02315	7.0
93.03323	3.4
95.01239	1.4
99.00745	1.5
101.02316	23.9
104.78927	0.9
107.04904	20.7
108.02047	2.9
109.02826	3.9
113.02335	7.1
118.97966	1.4
119.03408	1.8
119.04871	5.6
121.02856	2.2
122.03667	1.1
122.48943	0.9
123.04397	1.4
125.02290	1.1
129.06961	1.0
131.03391	1.9
131.08536	1.7
133.06494	1.6
135.04393	4.1
137.02368	1.6
147.04422	1.1
149.02321	1.2
151.03873	1.0
152.01122	2.1
153.01842	2.1
155.03403	1.1
157.06490	23.6
159.04419	4.1
160.05196	1.7
161.02304	1.9
161.04437	2.5
163.03947	4.4
173.04399	2.8
173.05821	1.3
174.03116	1.0
175.07570	28.1
176.07944	1.3
189.05466	0.9
191.05534	9.2
201.05496	37.9
202.05771	1.4
204.07698	1.0
219.06567	100.0
219.10127	6.9
220.06842	6.3
237.07553	0.9
237.11324	3.4
251.11371	5.0
252.11432	0.8
261.07358	0.8
261.11276	1.6
279.12384	0.9
293.12466	2.0
327.54114	0.9
363.14435	2.1
381.15628	5.4
382.15430	1.2
399.16479	4.6
423.12918	30.3
424.12991	2.7
441.13770	26.4
442.14368	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40488	0.2
55.11142	0.2
59.01260	2.4
62.09298	0.2
65.03822	0.6
71.01258	0.7
73.02819	0.6
83.01218	0.2
87.04386	0.2
89.02313	0.2
93.03339	65.8
94.03668	2.1
96.95884	0.3
99.73824	0.2
101.02341	0.3
109.02848	0.3
111.67139	0.2
115.91958	0.3
135.04430	0.4
137.02348	100.0
138.02690	3.7
171.10240	0.2
183.10065	0.3
191.05580	0.3
193.08408	0.2
217.08646	0.6
253.08939	0.4
357.22922	0.3
439.13885	1.3
439.30573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.2
57.03323	15.1
58.00470	2.6
59.01252	39.7
62.66684	1.0
68.01282	3.8
69.03326	1.4
69.30778	8.1
69.31194	2.3
71.01254	26.6
72.99184	3.8
73.02805	5.1
75.00759	1.4
81.03212	0.9
83.01256	3.0
85.02827	9.2
86.69276	0.9
87.00751	6.8
89.02317	16.9
93.03326	2.8
94.02866	2.0
95.01254	2.3
97.02806	1.3
98.02366	11.4
98.20541	2.1
99.00743	4.0
101.02328	18.1
107.43827	1.0
108.02032	2.1
109.02837	3.6
109.06497	1.7
110.02351	3.4
111.00784	1.8
113.02335	9.6
119.03402	9.1
119.04875	5.5
121.02839	6.1
122.02392	2.0
122.03629	4.2
123.08051	5.4
131.03391	1.1
133.02863	1.4
134.63123	1.0
135.00771	1.8
135.04420	4.3
137.02383	1.1
140.03439	2.0
151.11183	1.9
152.01042	1.6
153.01859	2.4
161.04462	2.1
163.03864	4.9
173.04517	2.7
173.09624	5.1
175.07587	1.7
177.12790	1.9
179.03429	1.1
179.05562	1.8
191.05635	5.9
191.10663	12.4
193.08693	1.3
195.13820	11.7
208.02948	1.0
216.13905	3.0
217.08659	8.8
219.06578	3.5
219.10104	1.7
221.11644	1.6
234.15070	1.8
235.09714	6.6
237.07576	1.0
239.12846	26.1
240.13077	1.0
243.06587	2.4
260.12949	2.3
261.07755	5.4
279.08740	19.0
317.51196	1.0
387.14963	0.9
399.16397	2.1
422.18350	1.3
440.19278	100.0
441.13986	12.5
441.19427	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84085	0.2
57.86456	0.2
58.77874	0.2
59.01254	0.3
66.50793	0.3
74.85131	0.2
78.95776	45.1
89.69429	0.2
94.41473	0.3
96.96841	100.0
98.19794	0.7
113.02384	0.2
118.47105	0.2
129.96123	0.2
171.51219	0.3
439.08710	0.7
447.34753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1612
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
57.03331	2.9
58.00455	1.2
58.66285	0.8
59.01254	40.4
69.03310	1.0
69.50408	7.5
71.01261	14.4
72.99197	2.4
73.02827	3.2
77.01899	0.9
78.95792	1.5
81.03331	2.0
83.01268	1.8
83.04913	0.9
85.02843	5.6
87.00750	1.5
89.02311	11.5
93.03345	3.8
95.01247	1.2
95.04896	1.1
96.95911	2.5
97.56227	1.0
98.20541	2.0
101.02330	8.4
105.06979	1.3
107.04903	2.5
108.02045	1.5
109.02807	1.4
113.02335	6.6
119.03386	3.4
121.06470	2.8
123.08051	4.4
125.02348	1.0
133.06511	6.3
135.04431	1.4
137.02327	2.3
137.09567	1.6
142.15198	0.9
147.08035	0.9
147.11707	2.3
149.09586	1.5
157.06522	3.8
159.04384	1.7
159.08076	1.0
161.04510	1.8
161.05904	0.9
171.08105	5.0
172.05257	2.9
173.04510	5.7
173.05760	1.2
173.09641	15.7
174.10442	12.5
175.07556	2.4
177.01912	1.7
179.03358	1.1
185.06076	4.3
187.11217	16.3
188.11542	1.4
189.12781	100.0
190.13113	5.4
191.05594	4.8
197.09604	2.1
199.07584	19.6
200.08374	12.2
203.07185	1.0
213.12830	1.8
215.10728	79.9
216.11063	6.1
217.12207	1.0
218.09343	0.9
229.12201	1.4
231.14012	1.0
233.11797	100.0
234.12169	8.3
241.08788	1.9
245.18100	0.8
257.11829	6.4
259.09683	13.4
260.10123	1.0
277.10825	17.5
278.11267	1.3
301.10971	5.9
319.11877	1.3
351.16138	1.8
439.16089	7.8
439.94525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77872	0.9
69.39432	0.8
72.39576	0.7
78.95778	19.8
110.98418	10.2
128.68356	0.7
138.31435	0.7
148.86032	0.7
152.99483	4.2
167.01056	13.7
185.02086	2.7
238.22235	0.8
240.60031	0.8
269.24844	100.0
270.25183	9.5
278.17853	0.9
280.33878	0.8
437.26700	14.4
438.27060	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03365	0.9
59.01251	100.0
60.01587	1.1
61.98711	0.8
69.50825	5.1
71.01252	6.5
72.99201	0.6
73.02828	1.8
74.66525	0.6
74.97816	0.6
76.82620	0.6
80.42284	0.5
83.01276	0.6
85.02839	2.5
89.02338	0.9
93.03350	0.7
99.04502	0.7
101.02310	4.0
108.02025	0.7
112.10774	0.6
113.02365	1.9
119.04957	0.7
135.04414	0.9
159.02940	0.6
161.04486	2.3
167.11891	0.6
173.04492	0.6
188.04625	0.8
191.05574	1.1
203.07199	0.7
233.05943	0.7
251.06184	0.6
259.06073	4.0
274.08582	2.5
315.14450	0.6
317.19949	1.1
335.20724	10.6
336.21002	0.7
377.21689	1.5
437.14523	2.4
437.29221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98711	1.3
57.77905	1.3
59.01253	100.0
60.01623	1.2
62.11116	1.1
69.24851	13.8
69.25310	1.6
69.25388	1.3
71.01257	11.5
72.99175	1.3
73.02824	3.5
75.00743	1.8
85.02818	5.0
87.00755	2.3
89.02320	4.2
93.03374	2.2
99.00743	1.6
101.02325	4.0
108.02091	1.5
109.02858	2.1
113.02333	4.5
118.43669	1.1
119.03404	1.4
119.14252	1.2
125.02298	1.6
127.07477	1.4
134.19456	1.2
135.04456	1.4
138.18475	1.0
141.65594	1.4
153.01752	1.5
161.04466	5.0
173.04430	2.6
191.05586	8.0
275.18658	1.5
276.09058	1.4
377.18399	3.4
437.09973	1.3
437.15622	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84235	0.8
59.01252	13.0
65.03817	2.0
71.01243	1.0
91.05405	8.1
93.03343	2.5
109.02837	17.6
115.97292	0.9
120.99545	70.1
121.02842	10.4
121.99899	1.2
135.04414	100.0
136.04768	2.7
138.98502	1.3
147.04465	2.1
148.05202	3.9
158.03647	2.0
160.05186	2.8
161.02350	1.0
163.07510	4.6
173.04494	1.0
175.07574	4.4
193.08643	16.5
194.08981	1.2
202.59102	0.9
224.16876	0.9
263.12769	1.0
315.12378	49.9
316.12732	4.4
388.07639	0.8
453.54630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00485	0.4
59.01251	100.0
60.01589	1.7
67.01768	0.6
69.03330	0.4
69.69382	2.0
71.01254	4.4
72.99186	0.6
73.02814	0.8
78.95780	0.5
83.01263	0.5
85.02823	2.7
87.00767	1.0
87.58598	0.3
89.02318	4.5
93.03340	3.3
94.52122	0.4
95.01304	0.5
96.95867	0.5
101.02306	2.5
102.02595	0.4
108.02059	2.0
109.02832	2.6
111.00781	0.5
111.04400	0.5
111.65266	0.4
113.02348	1.5
118.97958	0.6
119.03415	1.6
125.30512	0.4
127.03939	0.4
128.03458	0.6
133.02808	0.5
135.04419	1.8
137.02379	1.0
152.01096	2.1
153.01826	1.9
161.02380	0.9
161.04491	1.0
173.04443	2.4
179.03406	1.0
179.05571	0.7
179.07054	0.9
187.03986	0.4
191.05540	12.2
192.05931	1.0
201.11247	6.2
206.21240	0.3
229.01398	2.5
239.05904	0.5
252.73477	0.4
253.09360	1.2
274.04285	0.4
307.14102	0.4
309.09146	0.4
315.07397	1.3
339.08444	0.4
365.06522	0.5
377.22134	0.8
383.07608	0.6
394.17270	0.4
437.10916	0.8
437.24335	0.7
446.10193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52262	0.6
56.02168	0.6
59.01254	100.0
60.01584	1.7
62.44351	0.5
62.58885	0.6
71.01264	2.8
71.03329	0.6
71.35810	0.6
71.36154	0.7
73.02839	0.9
73.19374	0.6
81.03333	0.7
83.01250	1.1
85.02852	1.4
87.04395	28.2
89.02319	1.1
93.03365	1.5
95.01254	0.6
101.02333	1.9
109.02828	0.9
110.28584	0.6
113.02319	1.2
119.04960	0.8
121.02908	0.6
123.04443	1.8
124.01567	0.9
125.02361	2.8
128.78636	0.5
133.02873	0.7
135.04431	1.9
149.99501	0.6
151.03876	0.6
167.03394	5.3
168.00568	1.8
173.04520	1.5
176.04057	1.0
177.91937	0.5
179.03458	1.0
191.04050	0.8
191.05505	3.8
211.78732	0.5
213.73665	0.6
217.47322	0.5
273.07712	6.0
305.16226	0.8
333.19244	0.7
435.08813	2.9
435.22073	4.0
454.51639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13258	0.2
57.03329	1.4
59.01254	22.1
62.68702	0.1
69.46071	0.5
69.46488	1.1
71.01245	1.5
73.02821	1.1
83.01257	0.4
85.02822	1.0
86.47517	0.2
87.04393	100.0
88.04720	2.3
89.02332	0.3
90.98453	0.9
93.03336	0.9
96.95915	0.2
101.02332	0.8
103.03896	11.1
109.02811	0.2
111.04388	0.3
113.02346	0.6
133.02864	0.6
135.04436	0.8
137.02368	0.4
153.01837	0.3
155.03441	0.3
160.40005	0.2
161.02364	1.1
161.04489	0.5
161.11728	0.4
173.04472	1.8
176.03976	0.3
179.03438	0.6
191.05536	0.7
223.08975	0.2
267.25293	0.2
297.93378	0.2
305.16107	1.3
335.07721	0.6
373.26123	0.4
393.21243	0.4
435.09589	0.2
435.19913	0.3
435.69617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18834	0.5
57.03328	0.6
58.81393	0.4
59.01251	100.0
60.01592	1.6
65.74914	0.4
69.24129	5.7
71.01242	2.9
73.02821	1.6
83.01255	0.8
85.02832	2.2
87.00734	0.6
89.02321	0.8
93.03349	2.8
97.02798	0.4
98.19860	1.1
99.00797	0.5
101.02336	1.3
108.02071	1.0
109.02858	2.0
113.02299	1.0
118.97964	0.6
125.02391	0.6
129.87434	0.4
133.02888	0.7
135.04401	6.1
137.02403	1.8
152.01086	1.3
153.01810	0.7
155.03375	0.9
161.02399	1.4
161.04498	0.8
173.04472	3.5
176.03941	3.6
179.03391	4.6
191.05547	6.9
191.07104	0.6
199.13387	1.1
211.13365	0.7
255.90405	0.4
281.89066	0.5
300.36313	0.4
333.19125	0.5
335.07898	1.0
353.08725	0.5
354.17035	1.2
355.17923	0.5
373.25958	4.4
374.26379	0.7
375.27792	0.5
393.25168	0.5
435.09567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54477	0.3
57.03328	0.6
59.01250	100.0
60.01591	1.0
62.98972	0.3
68.25655	0.3
71.01254	1.1
73.02818	0.9
75.95846	0.3
81.03311	1.7
83.01264	1.1
85.02832	1.0
87.04383	1.8
89.02347	0.4
93.03315	1.5
101.02336	1.3
113.02345	0.6
119.04903	1.9
123.04402	3.5
125.02325	1.8
126.52314	0.3
129.47797	0.3
151.00398	0.5
167.03407	9.0
173.04529	0.5
179.03427	1.4
191.05574	0.8
214.75824	0.3
214.77998	0.3
237.88826	0.3
273.07678	13.3
273.10620	0.7
274.07986	1.6
333.19373	0.8
393.21277	0.6
417.21396	0.7
435.13385	0.6
435.22281	6.9
436.22882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01585	1.4
63.48330	0.3
64.36501	0.3
69.52792	2.1
69.53203	0.6
71.01265	0.6
85.02802	0.4
93.03310	0.4
101.02346	0.4
113.02380	0.4
145.40411	0.4
155.94812	0.3
174.50049	0.3
359.12238	0.3
375.20294	0.4
435.22336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04638	0.4
54.56081	0.4
54.89072	0.4
57.03318	0.4
59.01251	6.5
65.03824	0.5
69.03309	0.7
69.46977	2.6
71.01246	2.2
73.02809	0.9
78.68701	0.4
81.03335	1.5
85.02817	2.5
85.98132	0.4
93.03334	73.1
94.03658	2.1
95.01246	0.5
101.02344	1.0
107.04931	0.6
108.02052	67.5
109.02849	28.9
110.03193	0.5
113.02342	0.9
121.02828	1.0
123.00793	1.3
123.04382	0.5
125.02310	0.7
133.02882	0.7
135.04402	1.6
137.02341	100.0
138.02664	3.6
147.04550	0.4
149.61594	0.4
151.00262	0.5
151.03893	2.1
152.01054	88.0
153.01843	35.5
154.02135	1.1
161.02325	0.6
163.03906	0.9
165.01865	1.4
176.03947	0.8
179.03433	1.1
191.05484	1.9
195.02969	0.6
222.41008	0.4
250.74629	0.4
281.06631	0.5
297.06152	23.1
298.06583	1.6
315.07220	20.5
316.07596	1.5
373.25589	0.6
409.71060	0.4
435.09283	90.3
436.09680	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82398	1.2
55.01766	1.3
57.03319	2.6
59.01254	100.0
60.01594	2.3
61.01662	1.4
69.53625	8.6
71.01256	18.0
73.02828	9.2
74.91187	1.2
81.03340	1.6
83.01260	5.3
85.02828	12.7
87.00768	2.5
89.02339	5.7
93.03338	24.1
95.01264	3.5
96.67349	1.0
97.02812	1.5
99.00744	2.2
101.02323	13.5
108.02057	63.3
109.02843	91.8
110.03169	3.3
113.02309	8.7
119.03409	2.3
121.02862	2.2
123.00745	2.7
123.04458	1.2
134.03625	1.2
135.00760	2.2
135.04378	2.8
135.05325	1.2
136.01521	2.1
137.02347	31.1
147.04436	1.4
151.03941	1.6
152.01071	67.7
153.01852	74.9
154.02176	2.3
161.02345	2.8
161.04536	2.1
163.58696	1.1
164.00992	1.2
165.01866	23.7
170.93204	1.2
179.03445	8.2
180.04257	10.1
191.05540	10.9
194.05814	3.4
195.06589	17.3
199.09789	1.8
209.08073	2.5
210.05226	2.1
220.80051	1.4
225.07690	11.0
237.49550	1.1
281.06732	8.4
297.06052	2.1
315.07175	20.6
334.53284	1.3
357.09244	2.3
357.19089	1.3
375.16440	2.5
387.14532	4.7
391.10477	1.3
417.21472	3.0
435.09332	99.9
435.22028	28.6
436.09732	12.2
444.88037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3322
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
53.86306	0.5
54.02120	0.5
54.68567	0.5
59.01250	4.7
69.94188	2.7
78.95771	4.3
96.95899	0.6
98.20499	0.8
99.08022	1.0
107.04910	10.3
121.02855	0.6
122.03632	6.0
135.04414	100.0
136.04706	2.9
143.10695	1.1
148.05197	1.8
152.99475	8.7
161.05981	1.4
162.12971	0.6
171.00645	0.5
175.07489	0.8
177.39305	0.5
274.19220	0.7
289.21783	1.1
302.18805	0.8
317.21249	1.7
331.22708	1.0
361.23956	1.6
410.12274	0.6
415.32468	1.0
417.30099	3.4
418.30951	5.4
431.31708	1.5
433.33215	76.9
434.33560	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.332
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
59.01249	2.1
69.32579	1.7
69.32997	0.8
78.95770	3.1
85.06463	0.6
102.54087	0.3
107.04906	10.8
115.07497	0.5
121.02795	0.3
122.03625	4.6
135.04410	100.0
136.04724	4.6
148.05188	1.8
152.99481	5.6
161.05975	2.0
162.06734	0.4
166.79182	0.3
175.07538	0.4
192.28232	0.3
230.19179	0.2
302.22531	0.4
317.24811	0.4
330.21985	0.5
345.24353	2.2
346.24588	0.3
360.22925	0.4
375.25342	0.7
397.31183	0.7
400.29660	0.3
415.32016	1.1
418.30899	4.8
419.31183	0.8
429.30005	0.3
431.31641	4.7
432.19379	0.3
432.32007	1.0
432.37744	0.3
433.33194	61.8
434.33539	9.1
434.39590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03328	0.8
58.00457	0.3
59.01252	100.0
60.01591	1.4
61.01676	0.3
71.01252	7.6
72.99191	0.6
73.02818	3.5
73.78515	0.4
83.01267	1.8
85.02829	3.1
87.00777	0.6
87.04397	0.5
89.02316	5.9
93.03342	1.0
95.01262	0.7
97.02847	0.5
99.00762	0.8
101.02322	6.7
107.01287	1.1
113.02338	4.2
119.03345	1.8
119.04903	3.1
121.02900	0.5
122.03619	3.4
125.02387	0.4
135.04424	1.0
143.03398	0.7
147.06456	0.3
149.04529	0.4
151.00284	3.0
153.01868	0.6
161.04469	2.1
169.01341	0.5
177.01900	0.6
179.05597	1.0
191.05579	1.2
229.59581	0.6
262.58441	0.3
271.06128	6.9
271.19287	1.5
272.06573	0.7
283.05206	0.4
331.17450	0.5
373.18484	0.6
373.22430	3.4
374.22781	0.4
391.23764	1.7
433.20309	7.5
434.21234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.4
56.99655	0.5
57.03318	3.6
58.00462	2.5
59.01252	100.0
60.01590	1.4
69.03333	0.6
71.01254	48.5
72.01601	0.9
72.36037	0.7
72.99168	4.3
73.02821	8.2
75.00758	2.1
83.01273	3.6
83.04897	0.7
83.27729	0.7
85.02821	15.4
86.03195	0.6
87.00739	3.3
87.04402	2.9
89.02318	41.9
90.02705	0.7
93.03355	1.4
95.01259	4.0
97.02834	0.8
98.19751	1.5
99.00779	2.1
101.02325	29.1
102.02681	0.9
107.04926	1.4
111.04414	0.7
113.02333	18.3
119.03391	17.8
120.01157	0.8
123.08009	0.8
125.02380	0.9
128.03442	4.4
131.03406	1.8
133.02936	0.8
135.04453	1.4
143.03404	3.7
149.04428	1.0
151.03822	0.6
159.02936	0.9
159.10210	1.8
161.02367	1.4
161.04437	9.7
171.07761	0.8
173.04506	2.0
179.03453	0.6
179.03955	0.6
179.05577	6.3
191.05516	2.9
191.10771	1.0
215.12376	0.6
239.12981	1.1
249.05508	1.3
271.06131	1.4
271.19196	2.0
321.15628	1.9
345.11960	0.8
345.19354	1.2
363.20401	1.5
373.13666	0.6
373.18616	0.6
387.20294	3.8
407.05054	0.6
433.19827	2.0
433.25214	10.7
434.24884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44678	0.3
53.77357	0.2
55.01760	0.3
57.03330	0.5
59.01251	100.0
60.01583	1.2
65.03839	0.6
67.01765	0.3
69.10021	0.2
69.29738	2.7
71.01253	5.4
71.04899	0.4
73.02821	1.3
75.51614	0.3
80.46505	0.2
83.01266	1.5
85.02824	3.3
87.00758	0.4
89.02319	2.1
91.01779	0.5
93.03356	0.8
95.01300	0.7
99.00767	0.8
101.02320	3.3
107.01305	0.4
109.02838	5.4
110.03216	0.2
113.02338	3.1
116.64449	0.2
119.03407	0.7
119.04942	1.1
135.00810	0.5
135.04410	3.0
143.03407	0.4
144.11594	0.2
151.00200	0.4
151.03922	0.5
153.01901	0.4
161.02350	5.7
161.04509	0.8
162.02840	0.3
171.13843	0.6
177.04614	0.3
185.06091	0.3
191.05534	0.3
197.11801	0.5
209.49242	0.2
229.05045	1.9
229.18124	0.9
253.05177	0.7
253.08818	1.0
270.05240	0.3
271.06195	2.4
287.22458	0.4
289.23984	1.1
331.17847	0.5
335.17212	0.4
373.22263	1.7
391.23544	1.0
433.20367	0.5
433.28259	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44678	0.3
53.77357	0.2
55.01760	0.3
57.03330	0.5
59.01251	100.0
60.01583	1.2
65.03839	0.6
67.01765	0.3
69.10021	0.2
69.29738	2.7
71.01253	5.4
71.04899	0.4
73.02821	1.3
75.51614	0.3
80.46505	0.2
83.01266	1.5
85.02824	3.3
87.00758	0.4
89.02319	2.1
91.01779	0.5
93.03356	0.8
95.01300	0.7
99.00767	0.8
101.02320	3.3
107.01305	0.4
109.02838	5.4
110.03216	0.2
113.02338	3.1
116.64449	0.2
119.03407	0.7
119.04942	1.1
135.00810	0.5
135.04410	3.0
143.03407	0.4
144.11594	0.2
151.00200	0.4
151.03922	0.5
153.01901	0.4
161.02350	5.7
161.04509	0.8
162.02840	0.3
171.13843	0.6
177.04614	0.3
185.06091	0.3
191.05534	0.3
197.11801	0.5
209.49242	0.2
229.05045	1.9
229.18124	0.9
253.05177	0.7
253.08818	1.0
270.05240	0.3
271.06195	2.4
287.22458	0.4
289.23984	1.1
331.17847	0.5
335.17212	0.4
373.22263	1.7
391.23544	1.0
433.20367	0.5
433.28259	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03333	0.6
59.01253	100.0
60.01588	1.4
65.00213	0.7
69.63416	2.2
71.01256	6.4
72.99199	0.5
73.02812	2.5
83.01247	1.7
85.02821	2.8
87.00778	0.5
87.04425	0.7
89.02316	3.8
89.02808	0.3
93.03358	1.1
95.01288	0.6
99.00792	0.5
100.73898	0.3
101.02335	4.4
107.01272	0.5
108.02046	0.4
113.02331	3.3
119.03411	1.8
119.04889	2.7
122.03655	1.0
125.02337	0.5
135.04439	1.9
143.03371	0.7
149.09692	0.3
151.00288	2.8
151.03920	0.4
153.01846	0.7
159.02974	0.4
161.04440	2.0
177.01938	0.7
179.05467	0.4
191.05562	0.8
204.57724	0.3
270.04630	0.4
271.06146	6.1
271.19290	0.5
272.06616	1.0
313.07114	0.4
357.17587	0.4
373.18372	0.5
373.22604	1.6
391.23724	0.9
433.19962	3.4
434.21121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41644	0.6
55.01759	1.4
57.03324	2.6
58.00457	1.7
59.01252	100.0
60.01573	1.1
64.40167	0.6
66.16935	0.7
69.81485	4.0
71.01253	45.9
72.97392	0.7
72.99195	4.3
73.02817	9.0
75.00750	3.5
81.03315	1.1
83.01273	3.3
85.02822	13.7
87.00763	3.7
87.04401	3.0
89.02319	40.1
93.03332	1.4
95.01292	3.1
99.00776	2.1
101.02326	27.9
107.04936	1.2
109.02871	0.9
113.02326	17.3
119.03395	16.0
120.01209	0.9
121.06469	1.1
128.03450	4.7
129.01868	1.4
131.03403	1.3
135.04465	2.1
137.02296	0.7
143.03423	3.1
149.04477	1.7
151.03923	1.4
153.06522	0.7
159.10213	2.1
161.02393	1.4
161.04459	8.6
165.05406	0.9
171.07707	1.8
173.04520	2.0
179.03569	0.7
179.05544	5.2
188.32504	0.8
191.05620	3.6
191.10675	1.7
195.13853	1.1
225.14978	0.7
239.12842	2.8
249.05499	1.6
271.06232	1.7
271.19202	3.0
321.15570	2.3
345.12061	1.7
345.19110	1.1
363.20319	2.0
373.13690	1.0
373.18719	1.3
387.20218	4.5
391.19800	0.9
433.19360	4.1
433.25650	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.83375	3.9
60.01591	4.2
71.01248	38.2
71.56963	4.5
71.57339	4.3
72.99186	5.0
73.02819	13.6
83.01244	6.7
85.02822	9.7
87.00758	6.6
88.79311	3.6
89.02316	33.5
93.03323	13.3
96.95911	3.8
99.00774	4.5
101.02328	25.3
109.02844	17.7
113.02338	11.6
119.03420	9.2
119.04870	4.5
123.00813	6.4
127.00191	3.7
130.23552	3.8
135.04376	11.0
149.25534	3.9
151.00252	5.3
152.01050	6.3
161.02339	9.5
161.04465	10.7
166.01997	4.3
173.04478	22.7
179.03391	7.4
179.05522	9.4
191.05537	34.7
253.05191	25.1
254.10394	4.4
269.04553	7.2
271.02832	5.0
271.06104	40.0
272.06180	4.1
300.31699	5.3
353.08340	4.9
433.20908	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.6
57.03335	0.8
59.01252	100.0
60.01582	1.4
61.62141	0.4
64.59430	0.4
69.45702	4.1
71.01254	9.7
73.02823	3.6
78.61926	0.4
83.00823	0.4
83.01253	2.5
85.02831	5.0
87.00755	0.6
87.04391	84.6
88.04720	1.4
89.02305	2.0
93.03348	0.6
95.01264	1.6
97.02837	0.7
99.00749	1.3
101.02328	5.7
111.08057	1.0
113.02345	4.8
119.03388	0.9
121.02831	0.4
123.04472	0.9
125.02306	1.4
135.04396	0.8
143.03319	0.5
149.47327	0.5
159.02838	0.7
159.10081	1.0
161.04419	1.8
176.03905	0.5
191.05540	0.8
197.11652	0.5
199.16940	0.5
209.15308	1.6
253.14458	3.3
287.22049	0.6
289.23587	1.6
303.14429	3.3
306.98679	0.5
313.16425	1.1
331.17621	4.9
334.94473	0.4
373.18695	2.6
374.18652	0.4
433.20074	0.8
433.28217	4.4
434.28201	0.6
437.58472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75129	0.6
59.01253	100.0
60.01600	1.2
60.17265	0.4
67.91683	0.5
70.48988	0.5
71.01260	0.9
71.38004	1.0
78.58550	0.5
85.02856	0.5
89.02360	0.6
101.02319	0.9
113.02369	0.6
117.94427	0.5
229.05118	1.6
295.07584	0.6
337.03653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01607	1.0
60.30197	0.8
69.41379	4.6
69.41803	2.1
71.01250	2.0
73.02798	1.1
89.02320	1.0
110.32265	0.6
161.04485	1.1
217.47993	1.0
226.75948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.0
57.03326	6.4
57.05896	1.3
58.00467	2.8
59.01254	100.0
60.01591	2.2
69.03319	1.4
69.39767	4.6
69.40190	9.1
70.58355	1.2
71.01256	37.5
72.99180	4.6
73.02824	6.5
75.00769	4.6
83.01273	2.8
85.02823	14.4
87.00763	5.0
89.02315	32.0
93.03368	4.2
95.01283	3.1
96.55364	1.3
99.00771	2.9
101.02329	23.6
103.00198	1.5
106.31287	1.4
107.04918	5.0
108.02033	4.0
109.02839	3.1
111.00715	2.1
111.04354	1.4
112.21236	1.3
113.02335	13.6
119.03379	9.7
123.04436	1.8
123.08060	3.3
129.01871	2.1
131.03468	1.7
133.02933	1.7
135.04385	6.2
143.03352	1.6
149.09682	2.2
151.03912	6.0
151.07553	3.5
151.11226	1.7
152.01048	3.6
153.01826	2.6
161.04428	2.5
165.05431	3.3
173.04482	4.9
179.03444	2.9
179.05522	2.4
191.05550	9.9
191.10725	6.0
195.05070	3.5
195.13884	5.4
208.03839	1.2
209.11934	2.1
211.09729	1.4
239.12871	5.5
265.66666	1.3
345.11792	7.5
387.20245	1.4
433.15909	11.3
433.21249	5.5
434.10800	2.5
434.17319	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03765	0.3
57.03320	0.9
57.48052	0.3
59.01252	100.0
60.01593	1.5
60.39329	0.3
61.01682	1.0
62.17898	0.3
63.02264	1.9
65.00195	3.6
69.35794	3.2
71.01254	7.6
71.04903	0.3
73.02825	1.9
73.57304	0.3
75.77131	0.3
83.01253	4.5
85.02823	2.9
87.00753	0.6
89.02316	3.8
93.03333	4.4
95.01273	0.8
98.20578	0.6
98.73676	0.3
99.00769	0.6
101.02325	4.8
102.02650	0.4
107.01273	6.3
108.02086	1.5
113.02340	3.9
119.03400	1.7
119.04918	14.0
120.05257	0.4
121.02834	0.3
124.17544	0.3
125.02338	0.9
131.03375	0.4
132.05705	0.3
133.02888	0.3
135.04413	0.6
136.01535	1.1
143.03438	0.5
151.00276	22.9
152.00623	0.7
157.12221	0.3
161.02409	0.5
161.04462	2.3
164.01100	2.2
165.01851	1.2
169.01320	1.3
173.04552	0.5
177.01852	3.6
179.05421	0.3
185.06131	0.3
191.05557	1.0
196.00134	0.6
197.11794	0.4
202.02921	0.3
231.35826	0.3
271.06119	54.3
272.06448	4.1
289.23868	1.2
300.15741	0.4
331.17691	0.4
372.21252	0.5
373.22058	1.0
391.19257	0.4
433.11261	9.4
433.20682	1.8
433.28613	2.6
434.11575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01254	93.3
60.01595	1.4
63.02265	3.8
65.00198	6.6
65.36832	0.6
69.59986	3.8
70.64599	0.5
71.01261	9.3
71.01624	1.0
73.02830	2.1
78.05520	0.6
80.02565	0.7
81.03338	0.6
83.01269	6.1
83.18770	0.6
85.02821	3.8
87.00764	0.6
89.02322	7.5
93.03350	8.1
95.01294	0.7
97.27035	0.5
99.00772	1.3
101.02336	6.1
107.01267	15.2
107.01953	0.9
108.02059	2.1
113.02328	4.3
119.03422	3.2
119.04915	31.1
120.05251	1.0
125.02319	1.1
135.04355	0.7
136.01559	2.5
145.02899	0.9
151.00278	46.4
152.00629	2.0
159.02864	0.6
161.04469	2.6
161.05739	0.6
164.01077	3.5
165.01854	2.6
169.01340	3.2
177.01852	8.1
179.05487	1.1
191.05527	1.9
195.99985	1.0
197.11711	0.7
227.07170	0.7
271.06119	100.0
272.06476	8.5
289.23880	0.6
433.11322	17.8
433.20633	1.9
433.28537	1.5
434.11816	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01599	1.4
61.99802	0.3
71.01259	5.1
71.45449	0.8
73.02825	1.0
75.90035	0.3
78.70941	0.3
80.99476	0.3
83.01269	0.5
83.04919	0.4
85.02827	2.7
87.00759	0.7
89.02321	4.1
93.03334	3.2
95.01264	0.4
99.00768	0.5
101.02319	2.7
109.02867	0.4
111.04411	0.4
113.02339	2.1
119.03399	2.0
128.05627	0.3
143.03462	0.4
144.30937	0.4
155.35576	0.4
161.04489	1.3
164.00865	0.3
169.29755	0.3
173.04515	1.6
179.05540	0.7
191.05550	7.2
213.09227	0.7
227.07179	0.5
231.10307	0.9
257.08173	2.1
269.08453	0.4
269.14243	0.5
302.86124	0.3
371.20560	0.4
389.22491	0.4
424.18607	0.3
431.13522	0.8
431.23514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.7
59.01249	100.0
60.01588	1.0
61.01677	0.6
69.58670	2.0
69.59097	2.8
71.01251	14.1
72.99190	0.9
73.02814	3.6
77.34415	0.6
82.34633	0.6
83.01276	2.1
85.02824	4.7
89.02316	5.8
98.19858	1.2
99.00778	1.2
99.04391	3.7
101.02317	9.2
113.02328	6.1
119.03420	2.4
121.17330	0.6
130.11174	0.6
132.43802	0.6
143.03456	0.8
144.42682	0.6
161.04468	7.0
179.05576	1.2
179.94099	0.6
189.12781	0.9
191.64880	0.7
207.13867	5.5
209.11781	1.4
209.15536	0.7
220.11838	0.7
251.12848	16.1
252.13196	1.3
258.59885	0.6
269.13922	2.6
307.72772	0.6
371.16293	0.5
371.20679	13.1
371.25134	1.0
372.21188	1.5
431.18701	5.3
432.19775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.30968	0.2
51.20563	0.2
59.01233	0.3
70.01490	1.2
78.95776	51.7
91.18963	0.3
96.96844	6.1
104.71757	0.2
107.02785	0.3
109.98908	0.3
114.79121	0.3
150.97937	1.7
152.99489	100.0
153.99831	1.5
157.07634	0.3
171.00565	3.7
236.60196	0.3
277.21881	0.6
431.21930	4.7
432.22659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68399	0.2
59.01247	1.0
62.96284	0.5
64.68886	0.3
67.00123	0.3
68.55355	0.3
70.03291	0.9
70.03705	0.6
78.95776	75.5
81.03985	0.3
91.82487	0.2
94.78364	0.2
96.96840	6.1
150.97925	1.6
152.99490	100.0
153.99861	1.5
171.00568	2.8
242.35037	0.3
277.21735	1.1
431.21991	7.2
432.22421	0.8
450.43118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.3
59.01246	7.5
60.27152	0.5
69.03338	0.5
69.59429	0.6
71.01251	1.5
71.38210	0.9
83.04897	0.6
92.14532	0.5
95.04900	0.7
97.06468	11.0
123.08047	6.4
125.09612	100.0
126.09938	3.8
134.20569	0.6
143.10667	1.9
169.08594	2.8
187.09682	89.1
188.09982	3.9
226.59698	0.7
243.12299	0.9
261.13412	26.2
262.13803	1.1
367.38837	0.5
371.20544	0.5
431.22818	46.2
432.23175	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13625	0.5
53.04585	0.6
57.03331	3.4
59.01252	45.7
69.03329	1.5
69.35586	5.9
71.01259	11.5
72.07041	0.6
73.02823	13.0
83.01259	13.9
84.54221	0.6
85.02834	3.3
87.00743	0.9
87.04388	0.6
89.02319	3.0
95.01276	1.1
97.06471	0.7
99.04396	14.4
99.04996	1.1
101.02320	9.7
111.04415	0.8
113.02334	6.0
119.03417	0.6
131.03406	0.8
143.03401	0.9
161.04478	1.0
163.07530	1.3
165.12744	4.8
189.12776	3.2
191.05484	0.9
207.13850	12.2
209.11774	36.9
210.12120	2.6
225.14883	5.8
251.12828	6.2
267.16095	1.3
269.13934	100.0
270.14246	6.4
275.12891	2.8
293.14117	0.7
311.15088	5.6
312.15704	0.7
341.15994	1.3
371.17111	4.9
431.18121	7.1
431.23517	2.8
432.19440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13625	0.5
53.04585	0.6
57.03331	3.4
59.01252	45.7
69.03329	1.5
69.35586	5.9
71.01259	11.5
72.07041	0.6
73.02823	13.0
83.01259	13.9
84.54221	0.6
85.02834	3.3
87.00743	0.9
87.04388	0.6
89.02319	3.0
95.01276	1.1
97.06471	0.7
99.04396	14.4
99.04996	1.1
101.02320	9.7
111.04415	0.8
113.02334	6.0
119.03417	0.6
131.03406	0.8
143.03401	0.9
161.04478	1.0
163.07530	1.3
165.12744	4.8
189.12776	3.2
191.05484	0.9
207.13850	12.2
209.11774	36.9
210.12120	2.6
225.14883	5.8
251.12828	6.2
267.16095	1.3
269.13934	100.0
270.14246	6.4
275.12891	2.8
293.14117	0.7
311.15088	5.6
312.15704	0.7
341.15994	1.3
371.17111	4.9
431.18121	7.1
431.23517	2.8
432.19440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39699	0.4
55.01751	1.2
57.03316	1.1
58.00463	1.6
59.01254	100.0
59.98410	0.6
60.01586	1.2
61.01651	0.3
69.49206	1.4
69.49634	2.2
71.01260	22.8
72.99191	1.9
73.02832	3.0
83.01259	2.3
85.02827	6.9
85.34007	0.4
87.00771	0.6
89.02322	17.0
95.01250	1.4
97.02874	0.4
98.20484	0.8
99.00760	0.9
99.04398	18.3
100.04715	0.6
101.02333	12.1
111.04402	0.6
113.02341	8.6
119.03412	5.9
131.03403	0.8
143.03416	1.2
159.02972	0.5
161.04478	4.9
173.04350	0.4
179.05594	0.6
189.12830	2.9
207.13847	19.2
208.14157	1.7
209.11760	0.7
251.12872	58.4
252.13219	4.8
269.13959	1.0
291.09552	0.4
371.20792	4.7
372.21133	0.7
431.19205	21.1
432.19449	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03336	3.3
59.01254	69.3
69.03327	2.3
69.31033	5.0
69.31458	2.0
71.01259	18.4
73.02822	19.1
83.01260	19.7
83.04903	1.3
85.02824	4.7
86.28254	0.7
86.71287	0.7
89.02325	3.8
93.03319	1.0
95.01276	1.4
97.02833	1.0
97.06490	0.8
99.00761	1.3
99.03802	1.3
99.04400	14.9
101.02329	13.7
109.02807	1.7
109.06435	1.5
113.02335	11.8
116.25033	0.7
119.03380	2.0
125.02349	1.1
131.03447	1.0
135.04391	0.8
136.59142	0.7
143.03450	1.5
150.58020	0.6
151.00316	0.8
161.04488	1.5
165.12788	3.5
177.01825	1.1
189.12772	2.5
191.05544	1.9
202.69736	0.7
207.13860	11.7
209.11781	37.9
210.12140	2.1
225.14919	7.9
251.12886	5.0
267.16083	1.0
269.13950	100.0
270.14316	6.7
275.12842	4.0
287.22296	2.3
311.15005	6.0
330.02228	0.8
341.16229	2.3
364.09952	0.7
371.16931	6.7
371.20929	1.0
413.25031	0.9
415.08072	0.8
426.88068	0.8
431.13376	1.2
431.19183	10.3
431.27176	4.5
432.19467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09873	1.0
51.39550	1.0
55.01770	1.0
57.03323	2.0
58.00457	2.2
59.01249	94.5
69.35735	9.4
71.01253	27.7
72.99185	1.7
73.02818	3.8
83.01239	1.8
85.02822	6.4
87.00736	1.5
89.02317	20.9
89.12238	0.9
94.00775	0.9
95.01272	2.4
99.04397	23.6
101.02318	17.5
101.02922	1.6
113.02325	10.0
119.03377	7.0
143.03429	1.3
155.66277	1.0
161.04446	4.2
179.05499	3.0
189.12772	5.3
199.90720	1.0
207.13835	27.6
208.14279	1.9
233.11909	1.1
251.12852	100.0
252.13185	8.3
255.02945	1.1
269.13959	3.5
356.76697	0.9
371.20834	6.2
431.19135	38.5
432.19574	6.1
453.40942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.9
58.00456	5.2
59.01252	100.0
62.23944	2.1
65.75128	2.1
69.61073	15.7
71.01250	81.9
72.99175	6.9
73.02815	14.3
75.00751	3.1
83.01282	3.6
83.92120	2.0
85.02819	17.9
87.00764	6.5
88.46150	2.5
88.78366	2.2
89.02317	84.2
90.13907	2.9
93.03370	3.4
95.01301	3.7
98.69128	2.3
99.00751	5.7
101.02324	41.3
108.02044	5.5
109.02763	4.1
113.02351	23.8
119.03387	14.3
119.04935	5.0
123.00762	5.0
123.04391	4.6
124.01551	7.4
125.02345	14.2
129.01807	4.2
131.03368	18.9
135.04424	4.9
137.02367	3.8
137.05978	3.3
137.93552	2.7
138.01865	26.4
143.03439	4.2
149.04453	36.8
149.23972	2.3
149.99489	4.3
151.03905	2.8
153.01836	4.6
153.05371	3.6
161.04460	8.8
167.03444	2.8
168.00592	18.0
169.01242	5.8
169.78914	2.4
172.93074	2.8
173.04472	4.5
179.05534	22.6
181.62390	2.3
191.05515	17.3
431.10803	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01242	2.7
59.79558	0.8
71.01257	11.2
72.84422	0.7
73.02814	2.8
81.03320	2.3
83.01270	1.2
85.02812	6.1
87.00748	3.4
89.02318	28.0
93.03326	2.0
95.01246	3.1
96.36783	0.8
98.19707	1.2
99.00743	1.1
101.02322	3.5
107.04904	0.9
108.02053	92.8
109.02845	76.1
110.03152	2.4
113.02324	2.7
121.02917	1.8
123.00761	2.9
123.04410	1.4
133.02814	0.9
133.04948	11.3
135.00732	2.4
135.04416	1.1
151.00266	1.0
151.03938	2.0
151.93488	0.8
152.01054	100.0
153.01846	48.4
154.02202	1.9
161.04445	1.0
163.04007	1.8
165.01848	2.6
195.02887	1.2
246.65488	0.9
259.37473	0.9
262.70209	0.8
297.06192	10.2
301.33682	1.0
308.16525	0.9
315.07202	20.9
316.07422	1.5
387.09311	12.4
431.11905	96.9
432.12256	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.2
60.99162	2.1
65.66319	1.5
69.27541	14.2
71.01257	13.2
72.99164	2.2
73.02810	3.8
83.01274	1.5
83.53898	1.1
85.02823	8.4
87.00757	6.2
88.98680	4.4
89.02316	47.4
93.03359	2.5
95.01270	3.9
96.96815	1.3
97.27396	1.2
98.20573	2.5
100.62965	1.5
101.02328	4.8
107.07948	1.3
108.02052	84.2
109.02843	88.0
110.03216	2.3
113.02321	5.0
121.02853	1.8
123.00752	3.0
123.04372	1.4
133.04977	14.0
135.00755	2.9
135.04417	1.2
137.02322	2.8
151.03902	2.4
152.01059	97.8
153.01846	69.0
153.02972	1.1
154.02184	1.4
161.04478	2.4
163.03911	2.6
165.01833	2.6
176.97279	1.2
178.25496	1.2
179.05492	1.6
179.06975	1.7
191.05554	3.5
191.42276	1.3
219.02940	1.4
265.70221	1.3
273.55646	1.4
277.86270	1.4
297.06146	10.8
315.07196	20.6
316.07382	2.1
341.10883	3.8
387.09244	13.6
424.24298	1.3
431.11862	100.0
432.12244	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01605	0.9
60.50390	0.8
61.98702	1.7
62.27915	0.9
62.72496	1.0
71.01246	2.3
89.02325	2.1
91.03884	1.7
96.95892	2.9
119.03368	1.2
120.28928	0.9
128.24637	1.1
134.31613	1.0
136.01544	6.8
152.99416	1.3
212.90271	0.9
295.22781	10.3
296.23123	1.5
429.30383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74600	0.8
59.01254	100.0
61.86151	0.8
65.76196	0.8
66.25356	0.8
69.93412	5.0
71.01241	1.5
71.04907	1.2
78.95769	1.8
89.02316	1.1
96.95909	3.5
97.06429	0.8
119.07463	0.9
185.02151	2.1
185.11742	1.4
190.46120	1.0
277.21799	1.1
282.01505	1.1
295.22803	7.8
341.21576	2.2
347.18439	1.5
357.20853	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61119	0.5
53.53897	0.5
57.03309	0.8
58.00478	0.6
59.01254	100.0
60.01600	0.5
61.03805	0.4
63.27763	0.4
63.48482	0.5
69.41795	1.6
69.42220	2.7
71.01254	8.8
73.02833	3.7
83.01274	1.2
85.02824	2.9
87.00755	0.8
89.02319	9.6
95.01299	0.4
98.01009	0.4
99.00763	0.6
101.02330	7.1
113.02329	4.8
113.02995	0.6
119.03397	3.5
131.03453	0.5
132.05000	0.5
143.03476	0.5
161.04515	1.8
161.13304	1.0
179.05614	1.4
183.48624	0.4
188.15251	0.4
192.21419	0.4
205.12331	0.9
223.13425	1.7
225.14943	1.2
249.11398	1.5
255.16325	0.5
267.12512	1.2
351.58185	0.5
369.18973	2.6
387.20297	4.0
391.96964	0.5
429.21573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52659	0.3
59.01253	100.0
60.01598	0.6
68.84261	0.3
69.24657	0.5
69.24857	0.7
69.25271	2.5
71.01255	3.6
72.18243	0.3
73.02824	2.4
73.72382	0.3
83.01276	0.8
85.02840	0.9
87.00757	0.5
89.02314	2.0
101.02318	2.6
108.02090	0.7
109.02842	1.0
113.02327	2.3
119.03388	0.8
123.04491	0.3
131.42801	0.3
152.01126	0.5
153.01854	1.1
153.76961	0.3
161.04456	0.7
179.01735	0.3
185.61368	0.3
189.12866	0.4
191.05592	0.3
205.12424	0.4
369.19421	0.8
387.20279	1.3
429.13974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.7
69.39421	0.4
69.39826	1.1
69.71884	0.2
70.65939	0.2
99.00761	0.4
99.92458	5.4
100.92564	0.4
100.93242	3.3
113.92486	0.2
115.91962	100.0
116.91968	4.9
116.92748	6.2
117.92844	0.2
119.31669	0.2
124.87717	0.2
132.92244	1.0
141.14693	0.2
172.95387	5.7
173.95567	0.5
184.53716	0.2
255.23283	1.0
301.02106	0.2
355.15741	0.5
371.15210	0.3
381.17346	0.8
411.18521	0.3
413.99081	0.2
429.19495	2.8
430.19583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03314	1.3
58.00475	1.1
59.01252	100.0
60.01601	1.2
65.74014	0.6
71.01257	20.5
72.99185	1.7
73.02812	13.2
73.03181	0.8
75.85836	0.6
83.01258	5.4
85.02829	3.6
87.00745	3.4
89.02316	14.1
89.02824	1.0
90.98305	0.6
93.03378	1.3
95.01282	1.3
96.03584	0.6
96.95912	0.7
97.96841	0.6
98.19736	1.3
99.00754	1.1
99.04372	0.7
101.02322	14.9
107.04930	1.8
113.02335	8.0
119.03388	5.6
119.04888	1.8
120.05682	0.7
125.02332	0.8
131.03394	1.0
143.03441	1.0
159.86682	0.7
161.04468	2.9
161.09644	2.9
161.13306	1.9
163.03946	1.4
172.21443	0.7
177.09171	0.8
179.05586	2.5
187.11208	4.5
189.09227	1.6
191.05545	0.7
196.87064	0.6
205.12337	2.2
207.10223	3.0
223.13356	21.8
224.13696	1.4
225.14899	1.6
249.11317	6.6
250.11656	0.8
267.06772	1.1
267.12366	18.9
268.12772	1.5
369.19241	2.8
382.07919	0.7
387.20456	5.9
429.17035	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41068	0.4
53.14986	0.4
55.01769	2.2
57.03328	2.2
58.00472	2.2
59.01252	100.0
60.01593	1.4
69.03303	0.5
70.23381	1.0
70.23771	1.1
71.01254	31.3
72.99197	2.3
73.02824	9.5
75.00762	0.6
76.35577	0.4
83.01260	3.4
83.04897	1.0
83.08423	0.5
85.02826	11.1
87.00748	2.0
89.02317	22.3
90.02656	0.5
93.03339	1.6
95.01247	2.6
99.00757	2.1
99.04366	0.7
101.02328	24.8
108.02067	1.5
109.02880	0.9
113.02335	12.1
119.03391	10.2
121.02859	0.8
121.06441	0.5
123.04372	0.7
125.02299	0.5
128.03465	0.5
131.03366	0.9
135.02650	4.4
137.02364	0.7
137.06017	1.2
137.75262	0.5
143.03439	1.5
151.03914	0.7
152.01074	1.5
153.01834	0.6
153.67439	0.4
157.10226	0.5
159.02934	0.7
159.08116	0.5
161.04451	3.5
161.09624	0.7
163.09999	0.5
163.11230	1.5
167.03316	0.5
175.11235	1.1
179.00285	0.5
179.01645	2.9
179.05524	2.4
189.09196	1.3
189.12668	0.8
191.05553	1.7
207.10226	0.7
207.13795	2.3
225.14941	2.7
237.11273	1.3
249.15204	0.6
387.20114	0.5
393.15726	1.3
399.16592	23.0
400.17102	2.4
411.16788	0.8
429.17688	57.5
430.17889	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01600	1.0
69.46929	2.7
70.26614	0.3
71.01252	3.9
71.59436	0.4
73.02818	2.1
83.01250	0.6
85.02838	1.3
87.00758	0.9
89.02320	2.1
93.03364	1.2
93.15195	0.3
101.02329	2.2
108.02077	1.1
109.02870	1.0
111.71918	0.3
113.02358	1.9
119.03389	0.4
121.02872	0.6
123.04391	0.5
135.02643	7.3
135.04324	0.7
139.03940	0.5
152.01109	1.2
153.01888	0.4
161.04472	0.6
162.34250	0.3
167.03487	1.1
179.00131	0.3
179.01648	7.3
180.02011	0.6
187.02252	0.6
191.05609	1.2
249.06105	0.4
322.84900	0.3
342.82700	0.3
369.19217	1.0
387.20367	0.5
429.13742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91891	1.0
58.00456	1.5
59.01249	100.0
69.51092	8.8
71.01253	31.6
72.99208	1.2
83.01244	1.3
85.02821	5.7
87.00739	3.1
89.02314	35.7
95.01245	1.9
99.04380	3.8
101.02314	17.6
110.36501	1.1
113.02323	14.0
119.03371	15.0
131.03386	1.2
137.09607	1.5
143.03394	3.4
149.04489	1.2
161.04462	2.7
161.13257	13.2
179.05473	4.4
187.11313	1.4
203.76871	0.9
205.10286	1.5
205.12257	29.0
206.12642	1.4
249.11275	37.2
250.11620	3.5
317.10672	1.0
429.17169	5.3
452.52951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.0
56.47020	1.0
57.03322	1.2
58.00461	3.4
59.01252	100.0
60.01580	1.1
62.11118	0.8
69.44016	8.5
71.01254	49.3
72.01531	0.9
72.99162	3.4
73.02806	2.7
76.08939	0.9
81.06972	1.0
81.27359	0.8
82.86132	1.0
83.01260	2.8
85.02824	7.9
87.00748	2.4
89.02321	51.9
90.89803	1.0
95.01267	4.4
99.04410	5.9
101.02326	26.1
107.04902	1.0
111.04378	3.0
113.02332	18.6
113.05959	1.3
119.03386	24.2
119.04237	1.2
131.03346	1.8
143.03365	3.1
149.04430	1.5
161.04454	3.9
161.13271	22.2
161.30162	1.0
162.13589	1.4
173.04478	1.3
179.05540	8.3
187.11185	3.3
191.05594	1.4
205.12283	53.6
206.12596	3.0
223.13408	1.2
249.11327	51.3
250.11592	3.1
267.06625	4.3
305.40430	1.2
387.20074	1.3
429.17331	9.9
430.17383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39325	0.5
55.01752	0.7
57.03311	1.6
58.00441	0.6
59.01250	100.0
60.01572	1.6
63.75653	0.5
69.49085	3.4
69.49509	1.6
71.01254	15.4
71.04899	0.9
71.11343	0.5
73.02821	2.9
83.01254	2.5
83.04913	0.9
83.34192	0.6
85.02821	3.8
85.03313	0.5
87.00742	3.2
89.02314	10.9
95.01289	1.4
97.06496	1.1
99.00729	0.8
101.02322	6.9
105.03404	0.6
107.04945	3.4
109.02865	2.2
113.02329	5.3
119.03400	4.9
120.05726	1.4
121.79585	0.5
123.97614	0.6
135.00763	1.5
137.09641	1.7
143.03510	0.6
146.92091	0.6
152.04671	0.7
153.01834	4.8
153.87117	0.6
159.08237	0.7
159.59547	0.5
160.01680	0.6
160.35765	0.6
161.04477	2.0
161.09636	4.4
161.13278	2.3
163.11276	1.3
169.42484	0.5
170.30862	0.6
173.04466	0.7
175.99068	0.5
179.05539	1.3
187.11211	4.9
189.09187	2.3
205.12302	2.9
207.10237	1.3
223.13332	25.8
224.13736	2.2
225.14978	1.3
236.72987	0.6
249.11368	2.0
267.12372	29.0
268.12769	1.8
309.13373	0.8
369.19278	0.7
387.20367	2.6
429.17752	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95059	0.9
52.80999	0.9
54.47312	0.7
57.03343	0.9
57.26813	0.8
58.00457	2.3
58.75373	0.9
59.01251	100.0
71.01251	27.5
71.45631	1.1
72.99171	2.4
73.02821	3.9
77.12446	0.8
83.01267	2.0
85.02818	6.2
87.00759	2.6
88.11413	0.9
89.02318	28.9
93.03316	1.7
95.01272	1.5
99.04398	3.4
101.02319	16.4
101.04589	0.9
109.02876	1.2
111.16351	0.8
113.02335	11.4
119.03401	11.1
121.06490	0.8
123.31501	0.9
131.03355	1.4
136.31059	0.8
143.03352	1.4
153.01816	2.3
161.04477	2.6
161.13261	15.8
173.04459	3.0
179.05515	3.0
187.11241	1.7
189.67229	1.0
203.51996	0.9
205.12270	31.8
206.12607	2.0
223.13440	0.9
249.11304	55.2
250.11548	3.1
255.02948	2.6
284.03143	1.4
285.03888	1.0
364.48196	0.9
387.20093	1.7
429.08932	1.0
429.17386	13.0
429.22437	1.5
430.18210	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31367	0.7
57.03321	1.7
57.68592	0.8
58.00457	1.0
59.01251	100.0
60.01586	1.2
62.28744	0.7
70.91690	0.8
71.01255	20.6
71.04875	1.4
72.99186	1.1
73.02821	4.2
83.01259	2.8
83.04873	1.3
85.02821	5.2
85.59650	0.7
87.00749	3.4
89.02319	14.6
93.03336	1.0
95.01273	2.0
95.04888	0.8
99.04391	1.8
101.02321	9.4
107.04935	2.5
108.02108	0.9
113.02315	8.4
119.03370	4.7
120.05711	1.0
124.96526	0.7
135.04396	1.5
143.03365	0.9
161.04451	1.6
161.09659	5.5
161.13300	3.8
162.05568	2.0
163.11250	1.3
179.05507	0.9
187.11226	7.3
189.09129	3.0
191.05426	0.9
205.12306	5.6
207.10292	1.8
223.13345	24.4
224.13689	1.8
225.14876	1.9
229.57671	1.0
249.11319	5.2
267.12366	20.0
268.12714	1.8
369.19113	4.5
387.20261	6.5
429.17212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37080	1.0
55.05763	1.1
57.03322	70.5
58.03659	1.3
59.01250	56.7
69.64806	6.5
71.01256	13.0
71.58299	1.1
73.02827	5.9
76.29298	1.1
81.03297	1.7
83.01273	1.6
85.02834	5.7
87.00738	1.8
89.02313	3.9
90.09750	1.0
93.03330	2.7
98.20528	2.2
99.04393	100.0
100.04746	2.1
101.02320	29.9
108.02063	3.2
109.02851	3.5
113.02299	3.8
116.89015	1.2
117.05470	1.3
119.03374	2.1
122.03619	4.3
123.04398	17.5
125.02335	7.5
135.04404	4.0
143.03413	2.2
152.01060	1.9
156.58566	1.2
160.72356	1.1
161.02370	2.0
161.04451	39.8
165.42731	1.2
173.04399	1.6
191.05524	6.6
211.02364	1.4
216.71594	1.2
221.06589	11.7
261.09799	10.9
267.06628	1.8
291.87494	1.1
429.07217	4.4
429.13702	26.1
430.14011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
64.22063	2.0
69.37218	4.3
69.37620	17.2
70.06887	2.2
72.57124	2.0
78.95763	3.0
80.90970	2.6
93.03342	4.2
102.30890	2.2
113.57647	2.3
155.88336	2.2
173.04478	3.0
293.21323	2.5
367.13632	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.9
68.18117	0.9
69.74649	6.2
71.01247	7.5
71.68091	0.7
72.99184	4.9
73.02802	1.3
78.32937	0.7
78.95776	2.2
79.95562	0.9
80.87080	0.8
82.87187	0.8
85.02814	3.0
87.00754	100.0
88.00275	0.9
88.01081	1.5
89.02321	3.8
93.03329	1.8
94.91239	0.8
96.27818	0.9
96.96861	1.2
98.12449	0.8
98.44777	0.9
99.00748	1.1
101.02323	3.7
101.91414	0.9
105.01791	1.7
107.00824	0.9
107.04909	3.1
108.23317	0.8
109.02851	2.0
113.02322	2.7
115.00250	6.3
115.55079	0.8
119.03380	2.3
121.02872	1.1
125.02338	1.1
135.04404	6.4
137.02376	1.5
137.05907	1.0
151.02608	2.0
151.03796	1.3
161.04472	1.1
161.05972	1.7
162.05479	1.9
163.03912	3.1
164.04695	2.6
165.05486	4.1
166.02484	0.9
175.07558	1.4
179.03419	1.3
179.05490	1.5
187.07529	3.3
191.05574	6.5
193.08725	1.1
205.04967	1.3
205.08638	5.9
207.04829	0.9
207.06561	5.0
249.07703	6.6
267.08710	2.3
291.08618	0.9
303.41080	1.1
309.84747	0.9
319.99994	1.0
341.10825	3.7
429.14429	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09401	2.1
58.98613	2.4
59.01251	100.0
64.68796	1.9
66.30877	2.1
69.88473	13.1
79.95593	2.1
93.03352	2.5
95.49292	2.1
96.95901	2.7
111.30061	2.2
133.87769	1.9
135.05922	1.9
191.05528	4.3
192.18413	2.2
253.43723	2.1
301.24899	2.1
367.13358	3.1
383.31601	2.2
427.30496	7.6
433.54297	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02763	1.7
59.01253	100.0
60.08924	2.0
69.81763	9.6
75.59972	2.0
78.95774	1.8
92.92691	2.0
93.03342	2.5
96.95863	3.4
97.02678	1.9
104.24436	1.7
110.10310	1.7
111.78526	1.7
135.04483	2.2
152.99484	1.9
160.55843	2.0
165.58862	2.0
173.04451	2.5
181.33899	1.7
213.78894	1.7
235.17061	4.8
273.80777	2.0
275.20282	3.9
293.21317	4.8
317.32559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98700	15.2
71.01262	1.8
71.06311	1.9
71.06667	2.9
78.09000	1.5
78.56968	1.3
84.68974	1.2
85.01759	1.4
91.03896	2.3
96.95880	7.3
99.92449	1.3
108.43854	1.2
118.89881	1.9
119.94595	3.9
237.80502	1.2
238.26151	1.7
275.20087	3.3
286.79977	1.9
293.21262	10.5
307.19196	2.4
311.22290	7.3
329.17325	3.3
345.20264	1.4
367.14362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98379	1.1
57.05981	1.1
59.01252	100.0
60.01577	1.8
61.98710	2.3
70.63441	2.0
70.63799	3.2
71.01263	2.5
96.95908	1.6
99.92473	4.9
104.05760	1.3
115.91906	1.4
116.92751	1.5
118.89875	3.9
134.89381	2.0
171.10265	2.2
189.35736	1.1
191.05585	2.4
275.20224	3.6
293.21146	5.6
311.22290	3.6
427.21198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17471	3.1
51.91591	2.4
59.01254	100.0
78.95786	4.3
96.95870	19.9
99.92515	2.6
152.99486	4.3
237.34216	2.6
367.13562	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.5
57.03317	1.4
58.00462	2.7
59.01253	70.9
60.01595	0.9
65.10288	0.8
71.01254	37.8
71.45512	1.7
72.99184	2.5
73.02812	2.7
81.20681	0.9
83.01255	1.8
85.02827	8.9
87.00768	1.8
89.02319	37.6
91.52679	0.9
93.26174	0.8
95.01266	2.2
101.02324	19.6
113.02333	14.2
114.02641	0.8
119.03387	14.4
119.04839	1.1
123.08035	3.2
131.03418	1.8
131.08586	2.5
135.08078	1.9
143.03372	1.0
143.08582	1.1
149.04454	1.2
155.08537	1.0
157.10144	4.4
159.11670	0.8
161.04460	2.4
169.10101	2.9
171.11726	2.8
173.04605	1.0
173.13286	1.2
179.05513	1.6
185.13289	16.5
186.13567	2.1
191.05534	1.6
203.10719	1.5
203.14297	1.8
205.12320	2.2
217.12276	1.3
229.12253	4.7
247.13373	100.0
248.13655	8.1
265.14404	8.9
266.14810	1.2
311.41074	0.7
405.67697	0.8
427.20099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.0
57.03332	3.3
58.00451	1.7
59.01253	43.3
71.01254	28.9
71.07284	1.2
72.01578	0.7
72.99187	2.6
73.02826	8.3
75.00742	0.6
83.01262	6.6
85.02345	0.8
85.02825	11.6
85.99983	0.5
87.00741	2.2
88.66362	0.4
89.02319	18.1
93.03326	0.8
95.01254	2.6
99.00764	2.1
101.02323	24.8
102.02676	0.5
111.00767	0.7
113.02335	11.2
118.79898	0.5
119.03390	8.2
121.61884	0.4
123.08053	0.9
125.02365	0.7
131.03391	0.7
137.02348	1.1
143.03375	0.8
149.04480	0.4
159.02930	0.5
160.44411	0.4
161.04466	2.0
173.04498	0.5
179.05594	0.8
179.10603	0.5
191.05504	0.8
191.14417	0.5
196.15938	0.4
205.12236	1.0
221.15385	1.9
223.09674	0.6
244.75859	0.5
427.19699	100.0
428.14230	0.7
428.20053	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.4
56.79706	0.8
57.03329	0.8
58.00457	1.3
59.01252	100.0
69.03315	1.8
69.37982	3.1
69.38407	3.8
71.01255	51.4
72.01588	1.3
72.99177	2.0
73.02821	90.1
74.03159	1.8
75.00730	1.0
79.42286	0.7
79.95655	0.9
81.03326	1.3
83.01263	27.8
85.02829	5.0
87.00747	4.0
89.02317	8.1
95.01247	1.1
97.02823	2.5
98.20618	1.4
99.00745	1.7
101.02321	59.5
102.02675	1.4
111.00748	0.8
113.02328	12.5
116.29413	0.7
116.60717	0.9
119.03393	3.4
125.02332	3.5
131.03381	4.1
143.03406	4.6
149.04460	4.1
155.03365	1.9
161.04485	11.2
164.87997	0.8
173.04515	0.9
179.10658	1.8
180.10449	0.9
191.05524	0.9
195.02008	0.8
203.05557	1.1
205.12236	7.1
221.06570	1.0
223.13344	2.7
243.54146	0.9
427.19687	56.9
428.20004	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63251	0.6
55.98126	0.5
57.03331	1.7
58.00468	1.3
59.01252	100.0
60.01580	1.3
67.93902	0.6
69.43385	1.5
69.43813	4.0
71.01253	32.7
72.01637	0.5
72.99179	1.6
73.02819	25.0
81.03335	0.8
83.01261	8.2
83.40832	0.6
85.02820	8.9
85.87444	0.7
87.00764	2.6
87.98533	0.5
88.60892	0.6
89.02321	9.8
93.03352	0.7
95.01290	1.1
96.24931	0.5
99.00768	1.9
101.02319	23.7
109.02822	1.0
112.63282	0.6
113.02331	13.2
113.03071	1.0
119.03394	3.7
125.02319	1.0
131.03458	1.7
138.03258	0.7
143.03435	1.9
147.08101	0.7
149.04465	0.8
151.07559	0.9
153.09125	9.5
153.28659	0.5
154.09364	0.7
161.04453	5.3
161.09549	0.7
163.11185	1.4
165.09128	0.8
173.04445	0.9
175.07590	0.7
177.12759	0.8
179.05527	1.0
179.10805	1.1
181.12267	1.5
187.11221	1.4
190.09921	0.7
191.05409	0.8
203.07246	1.3
204.07448	1.0
205.12276	15.7
206.12669	1.3
223.09778	1.2
223.13409	2.6
367.17511	3.3
385.18683	3.6
427.15244	1.0
427.20114	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86573	0.2
51.68106	0.2
58.59089	0.2
58.65023	0.2
59.01249	4.5
65.03831	0.5
67.01752	0.3
71.01250	1.0
71.18707	0.3
71.19035	0.3
73.02814	0.5
75.39677	0.2
85.02827	0.3
87.00735	0.5
89.02351	0.3
93.03335	57.6
94.03666	2.0
101.02325	0.6
105.29598	0.2
109.02840	0.8
111.00733	0.4
111.04406	0.3
113.02357	0.3
133.91937	0.3
135.04420	4.1
137.02342	100.0
138.02682	4.1
149.35278	0.2
153.05492	1.0
161.02362	0.5
173.04456	1.3
176.03979	0.9
179.03470	1.3
191.05525	0.8
212.87817	0.3
222.12177	0.2
223.09647	0.3
229.08669	0.6
230.26883	0.3
335.07471	0.3
346.17072	0.4
357.26498	1.3
364.75034	0.3
367.13916	0.8
385.14917	1.5
425.23413	0.3
427.15915	3.4
428.16336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62055	0.3
59.01252	100.0
60.01589	1.1
63.96477	0.3
69.55513	1.3
69.55933	0.9
71.01258	1.3
73.02820	0.6
76.67509	0.3
79.51613	0.3
82.01339	0.3
85.02831	0.6
93.03348	0.5
95.01326	0.3
101.02331	0.5
113.02339	0.5
121.02846	3.7
125.04198	0.3
135.04402	0.7
138.86966	0.3
148.05208	6.6
149.05742	0.3
163.07549	7.2
171.10178	1.1
173.04498	0.7
183.21284	0.3
191.05597	1.1
444.26447	0.3
445.02985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10884	0.2
56.24136	0.2
59.01252	9.0
59.85104	0.2
60.59143	0.2
64.59232	0.2
65.03832	0.7
67.01773	0.2
71.01246	1.5
73.02817	0.5
79.95597	0.3
83.01238	0.2
85.02834	0.6
87.00751	0.3
88.19077	0.2
88.34200	0.2
89.02315	0.3
93.03335	57.7
94.03664	1.7
95.01272	0.3
96.95889	0.4
98.19765	0.5
99.00736	0.2
101.02328	0.8
106.75569	0.2
109.02851	0.8
113.02327	0.6
133.02820	0.2
135.04411	0.5
137.02342	100.0
138.02673	3.3
159.66277	0.2
161.02402	0.7
173.04553	1.1
173.05812	0.3
179.03415	0.4
179.78078	0.2
191.05476	0.7
205.04994	0.4
219.02960	0.9
223.09715	0.5
248.03178	1.2
265.05142	0.9
273.08054	0.3
275.46390	0.2
325.07083	0.4
335.07938	0.4
367.13980	2.9
368.14227	0.4
370.37097	0.2
385.14935	2.4
386.15347	0.5
427.15933	3.9
427.21561	0.3
428.16345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03319	1.0
58.00496	0.4
59.01254	50.1
60.01592	0.5
61.17121	0.4
65.03835	0.8
67.01772	0.7
69.03339	0.8
69.45164	2.4
69.45595	1.7
69.81879	0.4
71.01255	14.1
73.02824	11.4
78.25771	0.4
83.01252	3.1
85.02822	3.3
87.00748	0.5
89.02322	4.9
93.03336	1.9
95.01306	1.0
95.04920	0.7
97.02839	0.6
97.06464	0.8
101.02325	12.3
102.02637	0.5
107.04926	1.5
108.02063	7.2
109.02845	10.7
113.02352	5.9
113.57999	0.4
119.03406	2.5
121.02851	14.4
121.06508	0.4
122.03634	18.9
123.04461	0.5
123.08090	2.0
125.02325	0.6
131.03391	0.4
133.02873	3.8
134.03632	0.6
135.04408	1.2
136.65364	0.4
137.02394	0.5
143.03392	0.8
143.04941	0.6
147.08060	1.3
147.11755	0.7
149.04459	0.7
152.01064	2.6
152.08336	1.0
153.01909	0.8
153.09109	5.8
159.08054	1.1
161.04477	3.0
161.05769	0.5
165.01868	3.0
173.09596	1.0
175.07639	0.8
177.01854	9.9
177.12692	0.6
179.05583	0.7
187.11238	0.9
189.09123	0.7
191.05589	2.0
191.10718	8.0
192.10947	0.6
201.05518	0.9
203.10680	6.1
205.12285	5.9
217.08685	0.8
219.06638	1.5
221.11784	42.8
222.12108	3.0
223.13400	1.0
247.07097	0.9
247.09737	28.1
248.10112	1.6
265.10797	29.0
266.11151	1.6
307.11990	0.6
358.22803	0.4
367.17596	1.7
385.18573	0.6
427.16104	100.0
428.16443	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28636	0.8
50.61324	0.8
57.03316	2.6
57.92879	0.8
58.00467	1.8
59.01252	100.0
60.01583	1.4
69.03313	1.1
71.01255	45.0
72.99198	2.9
73.02824	17.5
83.01269	5.9
83.04874	1.3
85.02820	9.4
87.00771	2.4
89.02316	33.7
93.03329	1.8
95.01286	3.4
97.02838	2.9
99.00733	1.6
99.04385	17.6
101.02322	29.6
102.02626	0.9
111.00775	1.0
111.55569	0.9
113.02339	17.8
113.63943	0.8
119.03393	14.2
121.02843	1.0
123.04376	1.0
123.08161	0.8
125.02320	1.0
129.07048	1.5
131.03389	2.0
134.03568	1.0
135.04396	1.6
143.03378	2.9
143.08574	1.5
147.60768	0.9
149.04442	1.1
153.09174	4.2
155.03474	1.1
157.10153	0.9
159.11710	20.4
160.12041	1.5
161.04459	5.2
161.09517	1.1
165.09106	1.2
173.04480	1.6
179.05522	3.3
185.09683	1.0
187.11192	0.8
191.05594	3.7
203.10709	35.5
204.11024	2.4
205.12259	10.6
206.12692	1.3
223.13324	1.0
230.86870	1.2
247.09749	25.7
248.10080	2.1
285.04001	1.1
339.70554	1.1
342.90210	0.9
367.17416	1.2
385.18655	1.4
390.16122	1.1
427.20425	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
50.42224	0.6
57.03318	0.7
58.00441	0.6
59.01250	41.2
65.03824	1.2
69.70338	1.1
69.70760	2.7
71.01252	12.9
72.99212	1.0
73.02818	10.1
74.80173	0.5
83.01259	3.0
83.04914	1.0
85.02812	2.3
89.02306	3.8
93.03329	1.5
95.01259	0.9
95.04910	0.8
97.06461	1.1
98.19814	0.6
99.00755	0.8
101.02313	10.3
106.04111	1.4
107.04901	1.6
108.02054	11.2
109.02847	12.4
113.02330	5.9
119.03364	2.1
121.02844	19.2
122.03633	22.0
123.04422	1.1
123.08034	2.1
125.02446	0.7
130.04126	0.6
131.03397	1.0
133.02863	5.0
134.03592	1.0
135.04453	1.0
135.08031	0.8
143.03375	0.7
143.04967	1.0
145.06445	0.9
147.08064	1.6
147.11679	2.1
149.02385	0.8
152.01053	5.0
153.01712	0.7
153.09120	6.1
154.09451	0.6
159.08084	1.1
161.04451	2.5
161.05774	0.7
163.07512	1.0
165.01859	4.4
173.09628	1.5
177.01825	12.3
178.02226	0.5
187.11180	0.7
189.09073	0.7
191.05502	2.0
191.10715	11.5
201.05524	1.7
203.10716	8.5
205.12309	5.0
217.08582	0.6
219.06609	1.3
221.11771	60.1
222.12148	3.9
247.09726	37.4
248.10083	3.0
263.12924	0.6
265.10791	35.5
266.11166	3.1
300.74725	0.6
307.11868	0.6
335.78500	0.7
367.17676	0.9
385.18802	1.0
427.16064	100.0
428.16400	11.8
442.36084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03607	0.5
59.01248	6.3
63.18973	0.5
63.67905	0.4
65.03841	2.8
67.01760	9.7
69.34132	2.2
69.34559	2.7
71.01260	1.2
73.02814	1.0
79.05401	0.6
83.00150	0.5
85.02833	0.9
87.00763	1.3
89.02349	0.5
89.73867	0.5
91.05415	7.9
93.03339	6.5
94.03683	0.7
101.02336	0.9
107.04930	0.6
109.02837	20.5
113.02349	0.7
123.04396	5.3
133.02840	0.6
133.06503	0.7
135.04416	100.0
136.04742	4.6
137.02344	7.3
138.02658	1.9
139.02835	1.6
149.02390	0.5
153.05482	35.8
154.05836	1.6
155.03403	0.6
155.08560	0.7
159.04382	0.6
161.02385	7.2
163.03925	1.0
173.04462	1.9
175.07545	3.0
176.03954	1.4
177.05417	2.4
179.03413	1.6
185.09660	1.2
187.03946	0.5
191.05534	2.8
199.07614	2.0
201.09038	1.1
203.07155	0.6
225.09164	1.3
227.07060	0.5
229.08656	32.3
230.09033	2.7
237.09189	2.1
243.06679	0.6
243.10109	0.7
255.10321	1.4
273.07712	6.9
273.11331	4.8
274.11694	1.0
335.07867	0.8
346.17068	0.8
347.17691	0.9
357.26404	1.5
359.27975	0.9
382.42505	0.5
383.14954	5.0
384.15268	0.7
389.51791	0.5
420.53940	0.6
427.13855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.8
67.01734	1.3
70.22589	1.1
70.28062	1.1
70.89928	3.1
71.01258	1.9
72.99184	7.2
85.02810	8.1
87.00744	4.7
93.03337	11.4
99.25056	1.0
102.04787	1.0
107.04855	1.3
109.02824	3.1
111.04430	2.4
121.02827	1.2
122.03667	1.6
123.00648	1.3
127.03893	2.5
135.04460	2.8
137.02357	4.8
138.05507	2.0
145.02827	1.5
148.03940	1.3
149.02338	1.7
151.03908	5.9
151.62613	1.1
153.01833	4.0
160.03925	2.6
161.02321	1.4
162.05563	2.6
163.03888	6.6
163.07565	8.9
172.03949	2.4
173.04478	10.4
175.07584	1.5
178.05034	11.8
188.63042	1.2
189.01866	3.4
190.05022	5.1
191.05536	100.0
192.02937	2.1
192.05846	4.8
193.08632	3.9
204.02875	1.5
206.04649	1.6
207.02930	2.0
208.06177	2.1
209.02722	1.6
216.02936	10.9
221.08107	2.6
230.06516	1.1
234.04033	19.9
235.02553	1.5
247.04570	2.9
252.05118	9.9
387.14017	1.4
408.09470	3.8
426.10382	14.3
443.44974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34010	0.8
57.03336	1.0
59.01250	11.9
67.01771	1.6
69.03329	0.8
69.63535	5.1
71.01245	5.3
72.99168	0.7
73.02821	1.9
83.04913	0.8
85.02821	9.6
87.00735	5.1
89.02328	1.6
93.03335	12.1
97.02854	0.7
101.02299	2.4
107.04901	0.8
108.02091	1.0
109.02836	1.8
111.04410	3.1
113.02336	1.8
115.62358	0.7
121.02834	1.0
121.77650	0.6
123.04415	5.6
123.68083	0.6
127.03868	1.6
129.01837	1.1
133.02837	1.1
135.04416	22.2
135.05443	1.3
136.04735	0.7
137.02365	0.9
141.09203	0.8
147.04425	6.3
149.02367	2.1
151.03899	0.9
155.03392	1.1
158.03654	0.8
159.04549	0.8
161.02347	29.0
162.02740	1.3
163.03920	15.8
164.04514	1.3
173.04472	3.8
174.03145	1.4
175.03917	17.0
175.07524	3.7
176.04367	1.1
179.03305	0.8
179.07097	0.9
181.03159	2.1
191.01814	8.4
191.05531	83.4
192.05800	3.6
192.99527	2.1
193.08630	5.3
201.01732	1.4
203.07080	1.0
205.12276	1.1
208.03696	1.4
209.02715	66.3
210.03006	4.0
216.99570	3.5
217.03256	1.0
221.08125	2.0
223.06097	2.3
223.09695	2.4
235.00655	23.9
235.02895	1.5
236.01001	1.2
253.01759	13.8
380.32959	0.7
399.99075	0.8
427.07010	100.0
428.07343	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98699	10.7
62.99449	3.4
71.58011	5.1
90.93232	4.1
96.95858	5.2
99.92451	9.1
115.91970	7.1
116.92738	12.7
120.66313	3.4
130.16780	3.2
222.59241	3.1
291.19586	6.9
309.20621	5.0
339.05334	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35337	1.0
59.01243	4.0
66.32626	1.1
66.84273	1.2
69.03320	3.3
70.10239	5.5
71.01255	65.7
72.01580	1.5
72.99180	19.6
73.34847	1.1
74.46913	1.1
82.93616	1.1
83.01282	1.3
96.95851	1.3
96.96833	1.3
97.02815	1.6
98.19852	1.5
99.00795	1.2
101.03017	1.2
114.03098	1.2
115.00250	20.9
119.08557	8.0
121.10155	1.2
123.66685	1.2
126.64323	1.2
127.11148	1.5
133.01343	5.8
135.08038	3.8
137.09627	34.0
138.09930	2.4
150.58450	1.4
151.11150	2.2
156.97635	1.1
171.10184	82.7
172.10503	4.7
193.08385	6.7
201.11295	6.3
239.03806	1.7
247.20502	2.2
273.18515	6.1
291.19672	48.9
292.20032	5.2
309.20700	100.0
310.21042	8.1
343.24863	7.4
377.88367	1.5
384.38190	1.3
407.20685	8.3
425.21875	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2179
Annotation	Macrocalyxin G
Peak:m/z	Relative Intensity
57.03311	1.1
59.01255	7.7
61.98683	1.3
65.54355	1.0
69.03316	1.1
70.02657	5.6
71.01255	91.4
72.01600	1.2
80.40353	1.3
83.04887	1.1
85.02830	2.0
87.00747	1.4
93.03338	1.9
96.95896	1.5
96.96849	1.9
97.02812	1.2
99.92455	6.5
113.02374	1.5
115.00259	100.0
115.91967	9.1
116.00623	2.5
116.92718	7.8
125.09600	1.6
135.04449	2.0
137.02362	2.0
137.09654	2.2
145.04106	1.0
145.96931	1.1
158.51535	1.0
165.12874	1.1
167.06169	1.0
171.10136	5.2
173.04468	1.3
179.82751	1.1
193.08601	1.6
209.07135	1.4
211.13397	3.0
221.08148	1.4
227.12982	1.3
269.07080	1.6
291.19580	6.3
295.08887	1.1
309.20724	6.3
327.21796	14.1
328.22089	1.6
398.58810	1.2
425.13177	2.0
425.21848	43.3
426.22427	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55349	0.5
57.03318	0.8
59.01254	21.8
61.98692	0.5
69.95065	2.3
71.01254	33.5
72.99184	8.8
80.08389	0.4
90.93266	0.7
94.96552	0.5
95.98756	0.5
96.95896	0.8
98.19839	0.7
99.00771	0.7
107.08550	1.3
115.00262	18.0
125.09599	0.6
133.01335	10.0
137.09613	0.7
139.11227	3.9
155.10655	0.9
162.34000	0.5
167.10675	1.8
178.81165	0.6
183.10112	0.7
185.11739	1.2
193.15909	0.9
199.13324	1.0
213.11180	2.5
214.11998	1.5
227.12810	1.2
240.13670	1.8
247.20584	1.3
263.15472	0.5
270.01877	0.5
273.18640	0.9
276.23331	0.5
281.21234	0.8
291.19672	14.3
292.20013	1.2
309.20718	100.0
310.21069	9.3
319.22675	0.8
320.84180	0.6
336.60144	0.6
407.20480	1.4
408.20432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15691	1.1
55.01768	2.0
56.92820	1.2
57.03321	3.2
58.00482	1.5
59.01253	100.0
60.01592	1.4
69.03337	1.4
71.01257	44.4
71.74132	1.0
72.99192	3.3
73.02818	12.6
73.63287	1.0
74.13228	1.0
75.00768	1.7
75.42341	1.0
83.01264	5.1
85.02827	12.8
87.00271	1.0
87.00755	5.8
87.04409	1.9
89.02316	24.9
93.03350	4.5
95.01267	2.9
96.95885	1.9
97.02848	2.0
99.00777	2.9
99.25136	1.0
101.02325	30.8
109.02843	5.2
111.00771	1.7
113.02338	17.1
119.03401	9.3
121.02850	1.5
131.03452	1.1
135.04407	5.4
137.02344	17.1
143.03407	1.7
147.04410	1.9
149.02367	1.6
151.03923	7.3
153.05492	2.8
161.02377	5.6
161.04453	3.2
163.03925	13.4
173.04570	2.5
173.05984	2.5
175.03946	5.1
177.05537	1.2
179.03412	2.5
179.05531	1.8
187.03923	3.1
187.07568	1.5
188.04695	1.3
188.08424	2.7
189.09183	1.9
191.05524	2.1
193.12141	1.2
201.05473	1.6
203.10733	9.8
205.08588	3.1
205.12312	2.9
213.05499	2.5
219.10181	6.8
221.11790	45.8
222.12198	3.5
229.08557	1.5
230.09543	5.1
231.10249	2.4
239.31139	1.2
243.10248	1.9
245.11810	8.3
248.10480	2.2
256.11047	4.4
259.09656	1.2
263.12878	4.3
271.13358	5.2
275.12906	2.4
284.10577	2.7
299.12921	3.8
305.13937	1.9
335.14877	1.4
347.15005	8.3
365.16071	32.7
366.16443	4.2
383.17087	61.8
384.17508	7.2
425.18185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
55.01738	1.9
57.03311	2.3
58.00469	3.9
59.01254	87.0
60.01572	1.0
61.01685	0.8
70.34785	0.6
71.01256	47.1
71.88273	0.6
72.01592	0.8
72.99193	4.4
73.02805	2.8
78.95778	1.0
83.01247	2.9
83.04899	2.8
85.02834	11.8
87.00769	1.7
89.02323	36.2
90.02664	0.8
91.05402	0.9
93.03320	2.2
95.01256	3.0
99.00742	1.5
99.88810	0.7
101.02322	24.8
109.02822	1.1
109.06448	1.4
113.02335	14.3
117.06985	3.2
119.03411	14.4
119.04903	10.5
119.08569	2.5
119.20904	0.7
120.86566	0.7
121.02847	1.1
121.06469	0.7
123.08052	2.2
130.04128	0.9
131.03404	1.7
135.04430	2.1
137.02316	1.7
143.03423	1.4
145.06479	4.6
149.04489	0.8
149.09677	0.8
151.03867	0.9
153.05688	0.8
159.11745	5.3
161.04509	1.2
163.03935	8.2
171.08078	9.9
173.04424	1.8
177.09138	2.0
179.05501	1.4
183.11734	1.4
184.08833	1.1
185.09650	5.8
186.10446	31.5
187.10754	1.7
191.05536	1.6
199.11217	4.4
201.12799	100.0
202.13164	6.4
203.06960	0.8
221.08131	1.6
221.11877	1.6
245.11821	55.3
246.12216	4.5
260.17114	0.7
357.08597	0.7
425.18262	53.1
426.18558	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
57.03309	0.9
58.00453	1.5
59.01253	42.3
69.49384	4.4
70.43421	0.5
71.01255	24.6
72.99163	1.6
73.02791	0.8
75.73572	0.5
83.01270	1.1
83.04878	3.1
83.54238	0.5
85.02832	4.6
87.00741	0.7
89.02319	25.6
95.01240	1.7
98.19735	0.9
101.02318	12.0
109.06463	0.6
113.02326	9.0
117.07001	2.6
119.03393	9.9
119.08526	1.2
130.04124	1.0
131.03426	1.3
143.03392	1.0
145.06491	3.5
149.04492	1.3
159.11674	4.0
160.12079	0.7
161.04610	0.6
170.07172	0.6
171.08072	7.0
172.08391	0.6
173.09654	1.2
179.05544	1.9
183.11705	1.4
184.08775	1.1
185.09630	5.0
186.10431	27.6
187.10750	2.3
199.11235	5.5
201.12785	100.0
202.13107	6.5
203.06993	0.8
245.11798	68.7
246.12140	4.2
258.59827	0.5
344.56863	0.6
425.18234	27.4
426.18628	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1818
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
50.44253	0.8
57.03339	1.4
58.00465	4.5
59.01254	95.4
62.37504	1.0
71.01257	48.4
71.45724	2.2
72.99194	4.0
73.02818	1.9
79.24978	0.9
83.01256	1.8
83.04906	3.8
85.02821	10.8
87.00751	1.6
89.02320	53.0
91.05412	1.2
95.01261	2.3
98.63261	0.9
101.02324	23.9
108.93806	0.9
113.02330	17.4
117.07005	3.2
119.03389	19.4
119.08562	3.7
120.09010	1.1
123.08092	1.2
130.04155	0.9
131.03442	2.1
131.04485	1.3
143.03423	3.0
145.06502	5.3
149.04456	1.6
159.11742	5.5
161.04495	1.9
166.05493	0.9
171.08067	11.7
179.05568	3.5
183.08047	1.1
183.11700	1.9
184.08791	1.0
185.09650	7.9
186.10434	36.4
187.10844	2.1
199.11263	5.2
201.12790	100.0
202.13112	7.1
245.11809	80.4
246.12204	4.5
425.18219	25.1
426.18436	2.2
434.45297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.9
65.03828	0.4
71.01250	0.4
73.02806	0.4
73.82539	0.3
93.03333	72.8
94.03656	1.9
99.81565	0.2
137.02341	100.0
138.02673	3.9
229.62085	0.3
398.33963	0.3
410.09515	0.3
421.44809	0.3
425.14526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18482	0.4
55.01750	0.4
55.26669	0.4
57.03290	0.5
58.00469	0.8
59.01253	39.0
65.00190	0.5
68.99693	0.8
69.03320	0.5
71.01256	22.2
71.59087	0.7
72.99168	0.6
73.02822	30.3
74.24905	0.5
81.03362	0.5
83.01255	7.2
85.02825	2.7
87.00763	0.7
87.91478	0.4
89.02325	6.8
97.02821	1.2
98.00774	0.5
99.00787	0.5
99.14750	0.4
101.02325	20.1
102.02670	0.7
112.67143	0.4
113.02331	4.6
119.03391	1.8
125.02349	1.0
131.03400	1.1
131.08582	0.8
133.06514	1.3
135.04436	0.5
143.03419	1.0
143.04970	0.5
145.06491	0.7
150.03156	0.5
155.03375	0.6
157.06502	6.2
159.04460	1.6
159.07991	0.7
161.04448	2.0
163.03885	0.5
165.51434	0.4
171.08090	1.5
173.06041	0.6
175.07574	6.4
185.09694	1.0
186.10425	4.0
187.03918	7.3
188.04485	0.7
199.11287	0.7
201.05498	8.6
201.12787	13.9
202.13124	1.1
203.07079	100.0
203.26849	0.5
204.07458	6.6
205.08630	1.5
219.06575	1.5
221.08234	1.3
245.11800	7.9
312.01138	0.5
328.53107	0.5
336.19424	0.5
425.14084	11.5
426.14978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68301	0.6
53.32160	0.6
59.01250	100.0
60.01582	1.2
63.04382	0.5
71.01256	1.7
73.02843	0.6
108.02030	0.7
119.04914	0.6
124.76694	0.6
137.06084	0.6
142.92104	0.6
152.01016	0.7
161.05981	19.3
162.06323	1.5
173.04492	0.8
191.05611	1.1
206.74686	0.6
219.10284	1.1
235.76622	0.6
263.09311	2.4
381.17468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01258	1.8
75.01669	0.4
78.95777	17.8
104.97335	0.8
110.98415	11.5
116.96643	0.3
126.05913	0.4
136.00626	0.4
136.99925	0.7
140.09581	0.3
142.45575	0.4
167.01068	11.5
185.02115	2.7
193.70004	0.4
249.27299	0.3
255.23262	100.0
256.23633	9.2
423.19394	0.7
423.25125	11.0
424.25507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90591	1.1
78.35482	1.2
78.95776	13.4
110.98413	8.8
136.17343	1.0
152.99483	2.2
161.49779	1.0
167.01048	10.1
185.02153	3.3
229.29407	1.2
255.23257	100.0
256.23691	8.9
423.25281	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21139	0.3
54.10964	0.3
63.77810	0.3
69.52745	0.4
69.53593	0.4
69.58913	0.3
69.59296	1.7
69.59745	0.5
69.60355	0.3
78.95778	11.6
94.98923	0.3
104.97363	0.8
110.98415	8.9
152.99469	0.5
167.01064	9.9
185.02139	2.6
255.23280	100.0
256.23621	9.8
317.57986	0.4
363.22379	0.3
423.25177	14.4
424.25391	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25864	1.4
69.26287	3.8
78.95779	13.2
80.74397	0.4
83.22084	0.4
97.48708	0.4
104.97358	0.7
110.98422	9.4
162.49348	0.5
167.01073	10.4
168.03471	0.5
185.02107	2.3
255.23280	100.0
256.23621	8.4
351.19711	0.5
366.89639	0.5
423.25223	11.3
424.25436	1.8
446.75055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84346	0.4
51.52657	0.3
51.84391	0.3
55.35458	0.4
70.89965	1.1
71.64626	0.4
78.95775	9.3
83.07980	0.3
94.82175	0.3
96.42402	0.4
97.52078	0.4
110.98417	5.5
137.00005	0.4
150.21446	0.3
161.77284	0.4
167.01070	6.9
185.02126	2.4
255.23264	100.0
256.23624	10.4
256.26364	0.6
273.61279	0.4
423.25165	10.0
424.25574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93800	0.9
59.01251	14.4
61.98702	4.1
64.80509	0.9
69.03332	2.7
71.01273	2.3
71.07716	2.0
83.04912	2.5
84.02049	7.3
95.04887	5.6
96.95837	1.2
97.02822	10.7
97.06472	17.0
99.04424	2.5
99.92470	8.3
115.92016	2.3
116.92783	1.5
119.08563	1.1
120.76108	1.1
125.09650	2.8
137.09619	1.9
171.10172	26.8
175.11206	1.5
189.05261	1.8
193.08397	27.4
193.12254	14.5
197.11765	1.0
211.13364	3.1
215.10506	9.3
221.11745	1.2
225.14912	21.6
225.76414	1.2
226.15294	1.4
232.10782	3.2
233.11618	8.2
243.15996	7.7
247.13104	3.2
253.14632	1.3
255.23265	3.1
259.09543	1.8
264.09787	34.7
265.10123	2.5
265.14255	2.4
279.07828	1.2
279.12070	6.4
291.19699	1.4
309.13226	5.1
341.23306	100.0
342.23740	12.2
345.20389	2.8
363.20917	11.5
364.20819	2.1
374.12189	1.2
407.20407	2.2
423.24118	4.6
436.35370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62315	0.8
59.01240	4.3
71.01257	41.2
71.58208	1.5
72.99213	0.9
75.00739	2.0
78.95809	1.8
82.82038	0.8
84.02037	3.5
85.30573	0.9
95.24254	1.0
96.95901	1.4
96.96848	4.2
97.02841	5.3
99.04363	1.4
99.92435	1.0
103.91908	1.0
109.02819	1.9
115.00259	100.0
116.00606	2.3
116.92726	1.3
123.07967	1.4
125.09602	3.6
134.04593	1.4
135.08051	2.3
137.09570	1.2
147.15111	0.9
153.09193	1.1
155.08592	1.1
163.95326	1.7
171.10187	9.6
177.09090	1.8
193.08376	6.5
193.12187	1.2
198.98245	3.0
199.13371	1.5
201.11281	2.2
213.11436	1.4
255.23145	1.8
267.12311	2.1
269.07065	3.1
289.18137	2.9
293.13550	1.1
307.19116	4.3
307.22519	1.6
317.21249	1.4
325.20337	1.2
341.23294	9.1
342.64026	1.1
363.12283	4.4
363.20602	1.7
405.26364	1.5
423.15356	6.7
423.20264	3.7
423.27234	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41308	0.9
54.16588	1.0
57.91039	0.9
58.00463	1.1
59.01252	30.8
66.56583	1.1
69.70699	2.2
69.71106	4.7
71.01259	12.4
72.99162	1.3
73.02821	49.4
85.02805	2.3
89.02319	8.6
101.02320	3.7
101.21797	1.1
113.02316	3.4
119.03391	3.3
125.09619	9.1
130.47148	1.1
139.11185	1.9
169.08624	4.2
181.12247	4.6
183.10236	1.3
199.13327	18.6
200.13551	1.4
225.11241	2.1
243.12349	100.0
244.12761	7.5
309.34100	1.3
404.15280	1.1
423.18793	23.4
424.18964	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
58.00477	1.0
59.01249	30.0
59.17609	0.7
61.66336	0.7
62.06502	0.7
69.53277	5.0
71.01253	13.4
72.99210	1.2
73.02818	62.8
74.03161	0.8
80.16322	0.6
85.02818	3.1
87.00755	1.4
89.02313	11.8
89.39677	0.6
95.01238	1.2
101.02328	6.6
109.02827	0.9
113.02344	4.1
119.03380	3.3
125.09617	10.4
134.47467	0.6
141.55902	0.7
169.08615	5.3
179.05559	0.9
181.12270	5.4
187.09790	1.3
191.05566	1.7
199.13326	19.9
200.13635	1.3
201.11224	1.3
225.11230	2.9
236.01305	0.6
243.12344	100.0
244.12700	6.5
261.13382	2.3
323.33228	0.7
410.57953	0.8
423.12851	1.6
423.18607	25.3
424.18753	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90759	1.1
57.01732	0.7
57.03312	1.1
58.00469	1.1
59.01253	100.0
60.01573	1.3
69.27077	9.0
69.33873	0.7
71.00893	1.6
71.01254	17.4
72.42696	0.8
72.99171	1.2
73.02838	5.0
75.00745	2.2
85.02808	3.9
87.00755	1.8
89.02321	6.0
93.03347	0.9
95.01310	0.8
98.19756	1.8
101.02340	6.1
105.40508	0.8
113.02325	3.3
119.03378	1.7
125.02369	1.0
149.04460	1.0
161.04431	2.6
165.05556	0.9
169.08640	1.9
173.04538	0.8
175.02449	0.8
181.12260	1.5
187.09656	2.7
189.30351	0.8
191.05522	2.4
199.13173	0.9
225.11226	0.9
241.75250	0.8
243.12411	5.8
261.13324	1.1
285.08807	1.4
291.14435	2.2
303.14346	1.0
313.12851	6.7
321.15421	0.8
331.14038	4.1
349.14996	1.0
405.09106	1.1
423.10486	3.3
423.18649	9.8
424.18842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.7
65.16612	1.5
69.99372	7.0
71.01253	3.6
73.00846	1.4
89.02331	2.0
93.03340	2.2
101.02280	1.8
109.02783	1.9
114.19545	1.6
121.02844	100.0
122.03159	2.7
135.04440	2.2
137.02357	2.1
156.25945	1.7
161.02379	1.5
185.76744	1.5
191.05537	2.0
275.09274	2.9
306.46814	1.7
379.16632	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84992	0.7
52.77577	0.7
53.14448	0.6
57.03333	2.7
59.01255	100.0
60.01605	1.1
69.03334	2.6
71.01257	50.6
71.35528	1.1
71.35867	1.1
72.99184	1.3
73.02821	3.8
83.01276	3.6
85.02832	7.9
87.00751	0.8
89.02327	2.5
89.05957	7.9
93.03331	2.7
95.01279	2.0
95.18641	0.7
97.02829	2.6
99.00778	1.0
101.02328	2.4
104.33524	0.8
108.02050	1.4
109.02842	1.3
111.00851	0.8
113.02335	5.9
119.83494	0.7
121.02847	70.1
122.03103	1.5
122.06016	4.6
124.01575	2.7
125.02331	3.0
134.03668	1.2
135.04410	2.3
137.02335	3.2
141.01852	2.4
143.03412	1.0
149.05998	1.0
152.01109	1.2
152.07108	8.0
161.02306	1.3
161.04384	1.0
163.03922	1.1
165.01869	2.1
173.04448	1.0
174.03244	1.0
185.08112	1.8
187.03998	1.1
190.05031	3.3
191.05534	2.3
201.09253	0.9
202.14348	0.9
219.06619	1.2
222.07664	3.5
233.10292	13.2
237.07611	3.5
273.07681	2.5
275.11441	1.0
291.08783	3.1
331.11771	1.0
381.11887	10.8
382.12314	1.5
387.15643	10.6
388.15793	1.2
423.12973	19.6
424.13379	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07088	0.8
55.01751	1.5
57.03334	1.9
58.00498	0.7
58.06296	0.8
59.01251	100.0
61.98701	1.5
68.99694	1.9
69.03337	2.6
71.01254	52.0
71.04898	0.7
71.07597	1.2
71.07951	1.6
72.99212	0.9
73.02829	5.8
78.95785	1.4
80.46678	0.7
80.76512	0.6
81.03337	3.8
83.01257	11.2
84.02060	0.7
85.02824	9.8
85.21088	0.9
85.84785	0.7
87.00776	1.0
87.04388	2.8
89.02338	3.3
89.05966	4.8
93.00379	0.8
95.01292	4.1
96.95901	3.7
97.02827	2.9
98.95470	1.1
99.00754	1.8
99.04424	1.1
99.92448	1.5
101.02327	8.1
109.02840	4.5
111.00749	1.2
112.01577	2.1
113.02328	12.6
115.91943	2.2
116.92755	1.2
121.02843	43.9
122.03670	1.1
123.04408	7.7
125.02324	5.6
127.26815	0.8
131.07100	0.9
132.44374	0.7
135.04395	3.3
142.02574	1.3
143.03427	2.2
145.02885	1.3
155.07079	1.1
157.06496	1.4
161.04488	3.0
165.01880	1.6
173.04500	1.0
185.08150	1.0
191.05521	2.3
196.89531	0.9
199.07582	3.1
209.11792	1.4
211.07666	2.2
224.63213	0.8
233.10268	41.3
234.10611	2.1
237.07744	1.3
251.10847	1.7
255.23276	0.7
317.11710	1.1
326.08197	1.2
333.20856	1.1
335.12930	12.4
336.13214	2.0
379.11697	0.9
381.11893	7.1
423.12994	32.8
423.19235	1.3
424.13406	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.9
62.46034	0.5
71.57951	0.9
78.95782	4.7
83.98244	0.5
96.95912	0.5
101.05925	0.6
109.58167	0.5
110.98399	4.3
134.48384	0.5
167.01045	1.4
185.02112	5.5
234.76335	0.5
253.21703	100.0
254.22054	8.8
303.81329	0.6
421.23465	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72371	3.5
53.10780	3.8
59.01245	9.2
71.58083	7.6
78.95784	6.1
88.98682	22.1
89.02302	8.6
96.95917	5.9
97.06433	7.3
113.05972	36.3
117.03246	5.0
123.04421	5.0
123.08033	11.9
125.09612	18.1
135.94620	3.9
135.97479	4.5
137.09601	5.0
139.11217	4.3
151.11134	5.7
156.46326	4.1
171.10133	9.0
187.09654	12.8
198.58191	4.1
199.13324	15.9
201.11270	10.3
206.97801	4.8
213.11298	4.9
245.19092	9.5
263.20248	5.4
281.04648	4.9
289.18115	67.3
290.18481	6.3
307.19159	100.0
308.19476	12.7
339.85779	4.8
359.25854	14.5
403.24951	8.7
421.16431	38.6
422.16858	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12143	1.2
55.01757	1.8
57.03327	5.0
58.00476	2.6
59.01253	100.0
60.01597	1.4
69.84116	1.3
69.84423	7.8
70.02856	1.2
71.01254	37.0
71.04913	2.8
72.99178	3.4
73.02821	11.5
75.00719	1.0
76.45503	1.3
76.54664	1.2
78.51910	1.3
81.03343	1.4
83.01253	4.4
83.04905	1.3
84.43441	1.1
85.02827	14.9
85.06472	3.4
87.00779	4.2
87.04387	1.3
87.05529	1.4
89.02322	24.8
93.03361	3.4
95.01260	3.5
97.06483	1.6
98.19711	2.0
99.00777	3.8
99.04404	2.5
101.02326	34.6
111.08055	1.6
113.02346	12.8
119.03403	7.9
121.02847	1.5
123.08033	1.8
125.02325	3.2
135.04408	1.9
137.06058	2.2
137.09645	7.1
138.09930	1.5
143.03354	2.3
146.08141	6.7
150.03217	1.4
161.04494	2.6
167.07074	5.3
175.03801	1.5
179.05562	1.7
179.10728	8.2
180.11055	1.3
181.08617	5.6
187.09853	2.6
191.05571	7.2
197.11760	14.2
199.09674	1.7
199.13358	1.5
205.34435	1.2
215.07146	3.8
215.12770	6.7
218.20296	1.2
241.10788	69.8
241.14592	3.8
242.11189	5.0
259.06125	15.3
259.11853	3.8
277.12314	6.7
283.06235	1.7
361.14758	2.0
361.18716	1.6
377.18219	2.1
392.90027	1.5
403.23273	3.8
421.16739	20.6
421.20856	43.9
422.16776	2.4
422.21381	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12143	1.2
55.01757	1.8
57.03327	5.0
58.00476	2.6
59.01253	100.0
60.01597	1.4
69.84116	1.3
69.84423	7.8
70.02856	1.2
71.01254	37.0
71.04913	2.8
72.99178	3.4
73.02821	11.5
75.00719	1.0
76.45503	1.3
76.54664	1.2
78.51910	1.3
81.03343	1.4
83.01253	4.4
83.04905	1.3
84.43441	1.1
85.02827	14.9
85.06472	3.4
87.00779	4.2
87.04387	1.3
87.05529	1.4
89.02322	24.8
93.03361	3.4
95.01260	3.5
97.06483	1.6
98.19711	2.0
99.00777	3.8
99.04404	2.5
101.02326	34.6
111.08055	1.6
113.02346	12.8
119.03403	7.9
121.02847	1.5
123.08033	1.8
125.02325	3.2
135.04408	1.9
137.06058	2.2
137.09645	7.1
138.09930	1.5
143.03354	2.3
146.08141	6.7
150.03217	1.4
161.04494	2.6
167.07074	5.3
175.03801	1.5
179.05562	1.7
179.10728	8.2
180.11055	1.3
181.08617	5.6
187.09853	2.6
191.05571	7.2
197.11760	14.2
199.09674	1.7
199.13358	1.5
205.34435	1.2
215.07146	3.8
215.12770	6.7
218.20296	1.2
241.10788	69.8
241.14592	3.8
242.11189	5.0
259.06125	15.3
259.11853	3.8
277.12314	6.7
283.06235	1.7
361.14758	2.0
361.18716	1.6
377.18219	2.1
392.90027	1.5
403.23273	3.8
421.16739	20.6
421.20856	43.9
422.16776	2.4
422.21381	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03325	2.9
59.01252	100.0
60.01579	1.7
60.69480	1.2
69.65093	3.9
69.65526	4.7
71.01254	32.9
72.99184	3.7
73.02825	11.0
75.21501	1.2
83.01253	2.2
85.02835	8.9
87.00768	2.7
89.02318	24.2
93.03336	2.5
93.73770	1.1
95.01289	1.6
101.02332	19.1
102.80598	1.2
113.02339	9.1
115.91957	2.3
116.92741	6.9
119.03385	11.7
123.08022	3.3
143.03419	1.5
150.03117	2.2
152.01044	1.4
153.01773	1.6
155.10616	1.5
161.04414	3.2
162.77023	1.1
167.07036	14.3
169.12282	1.4
179.05510	5.0
179.10661	2.4
181.08665	1.4
191.05515	8.3
197.11774	5.3
198.64656	1.2
214.81024	1.3
215.12843	3.7
241.10773	30.0
241.14359	1.6
242.11082	2.8
259.06161	3.0
259.11880	6.4
320.04935	1.2
359.17062	2.9
377.18127	16.3
378.18124	1.3
403.19647	2.7
421.16992	33.0
421.20999	24.5
422.16638	2.3
422.21808	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.8
60.26576	0.5
60.99174	0.9
65.00187	4.4
65.03843	2.9
67.01758	1.5
71.01254	1.0
71.06078	1.6
80.77475	0.5
83.01255	1.2
88.98669	5.8
99.16417	0.5
103.08889	0.6
107.08553	0.8
108.02036	0.8
108.52113	0.6
109.02840	24.5
109.05726	0.5
109.06457	3.2
121.02839	8.1
123.04354	0.7
124.01530	2.7
125.09611	2.2
131.01277	3.3
131.08516	0.8
133.02856	3.5
133.06482	7.5
135.00778	0.7
135.04398	0.8
137.02313	0.9
140.30545	0.6
147.04417	2.1
149.02328	1.4
149.09605	2.3
149.99487	0.6
150.03087	1.0
151.07558	3.5
159.04314	1.0
161.02351	2.1
163.00270	4.6
163.07564	0.6
164.00632	0.7
173.02319	0.9
173.05977	0.7
175.00301	11.1
175.03896	0.7
175.07544	2.5
176.00989	2.4
177.01848	1.3
177.05457	0.7
177.65395	0.7
185.06018	0.8
187.03951	1.0
193.08624	16.1
194.08850	0.8
199.07602	1.9
200.08269	0.8
201.05515	1.2
201.09138	1.7
203.03578	1.2
211.04018	1.4
212.04889	0.6
214.06319	0.7
215.03375	1.4
215.06938	0.7
217.08600	1.3
218.05873	0.7
219.06557	10.0
222.08684	2.2
223.09355	1.1
225.05492	0.7
227.03459	1.3
227.07066	5.0
228.04204	0.7
228.07730	0.9
229.04941	3.5
230.05788	1.6
231.06445	0.7
236.10300	1.5
241.05026	2.2
241.08746	0.8
243.06657	3.6
243.10193	1.1
244.07277	2.1
253.05191	0.9
255.02943	0.9
255.06618	2.6
256.07370	1.9
265.05051	2.2
266.05338	0.8
267.33224	0.6
269.04272	0.9
269.08163	1.5
276.06372	1.8
281.04523	0.8
283.02518	7.2
284.03024	0.9
288.06381	1.4
291.03024	1.0
295.09604	0.9
297.04007	10.4
297.11353	0.9
298.04709	0.8
299.12891	95.2
300.13229	8.1
309.04056	29.9
310.04431	2.0
311.12903	9.3
312.13034	0.9
313.17941	0.6
331.18930	1.8
335.09305	0.9
337.07071	2.2
351.08682	1.2
352.09552	2.2
384.08429	1.2
403.15179	0.6
421.16571	100.0
422.16910	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34934	1.7
57.03325	4.0
58.00464	3.0
59.01250	100.0
68.18138	2.3
70.02853	3.1
71.01254	36.2
71.04893	4.7
72.99191	4.6
73.02820	12.8
74.87955	2.1
75.00774	2.2
83.01257	5.6
85.02815	11.8
87.00763	4.1
87.04377	3.3
89.01115	1.9
89.02313	29.3
93.03332	4.8
95.01250	3.8
96.95859	2.7
99.00774	3.1
99.04395	3.1
101.02325	36.6
101.46507	2.1
109.06529	2.4
111.08049	2.4
113.02349	12.1
119.03397	10.2
123.08066	4.1
127.14895	2.2
130.03189	2.9
135.04425	3.8
135.74881	1.8
139.07587	1.9
146.08127	30.5
153.12726	2.5
161.04468	3.6
167.07060	12.0
173.04442	5.3
173.15216	2.1
179.03394	2.0
179.05511	2.4
179.10692	5.6
187.09660	9.9
187.94215	2.1
191.05531	13.8
197.11778	30.2
199.09691	2.1
215.07053	2.3
215.12830	6.6
217.12041	2.9
229.01337	2.7
241.10802	67.3
241.14439	3.8
242.11064	3.4
259.06009	3.0
259.11737	3.0
277.12228	36.4
327.09967	2.6
377.18152	14.8
403.23355	8.3
421.16055	49.7
421.20941	21.5
422.16833	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33586	0.6
59.01253	100.0
60.01589	1.1
69.29604	6.0
71.01244	1.3
71.90417	0.5
85.02847	1.3
92.72950	0.5
93.03351	1.2
96.95928	0.8
98.19759	1.1
104.48587	0.5
107.07628	0.5
125.09672	0.6
130.82823	0.5
133.02838	0.6
135.04439	1.7
161.02338	1.1
173.04526	1.7
179.03546	0.6
191.05524	4.5
243.99371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.7
61.98701	100.0
67.95451	0.3
71.01249	1.1
75.44702	0.2
79.78093	0.2
85.02831	0.5
89.02324	0.4
93.03347	0.6
97.57722	0.3
98.20544	0.6
101.02327	0.6
107.81274	0.3
108.02052	0.3
109.02836	5.2
110.03143	0.3
113.02351	0.3
119.04883	0.4
124.01545	0.2
135.04440	0.7
137.02348	0.4
146.03635	0.3
147.04437	2.0
159.04416	7.1
160.04828	0.5
162.05562	0.4
173.04494	0.4
175.03889	0.3
175.71172	0.2
179.03392	0.3
191.05482	1.6
215.07109	0.5
216.07465	0.7
269.08163	2.7
407.70502	0.3
420.05634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28840	1.4
57.03333	3.1
58.00455	2.5
59.01253	100.0
60.01579	2.4
69.38056	1.3
71.01257	39.1
71.58287	2.3
72.99187	4.0
73.02813	7.8
73.13936	1.5
81.03318	1.6
83.01269	3.3
85.02837	12.7
86.31152	1.8
87.00764	5.6
89.02322	33.5
89.91068	1.5
91.32801	1.2
93.03326	8.5
95.01273	3.6
95.04906	1.4
97.06499	1.5
99.00758	2.5
99.04413	3.5
101.02334	22.7
108.02058	48.8
108.02811	2.4
109.02837	24.2
109.03520	2.6
109.06505	2.2
111.04449	2.8
113.02325	13.1
114.93287	2.1
119.03396	14.2
121.02856	3.7
122.02370	5.5
123.08051	2.0
125.06024	2.0
129.01790	2.0
135.00784	3.6
135.04411	11.4
137.02315	4.6
137.09601	1.6
139.07515	1.7
143.03429	2.2
145.03590	1.6
150.05209	1.7
152.01067	31.0
153.01854	26.3
161.02319	3.9
161.04456	5.9
163.03899	2.2
167.07022	4.9
173.04492	4.8
179.03479	2.6
179.05496	6.8
191.05540	24.1
195.13902	1.9
198.05573	2.1
199.03903	1.8
209.03391	2.9
228.05403	3.4
239.12883	23.0
243.07777	2.3
244.94063	1.5
257.04550	4.4
266.06918	2.2
281.04459	1.5
281.09256	2.9
299.10410	6.5
316.06998	1.5
358.10519	1.8
359.11365	2.9
359.17126	4.5
373.12943	3.2
375.20309	2.4
404.14764	3.8
419.10370	2.8
419.19278	18.1
420.09363	44.9
420.18707	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86687	2.2
54.92091	2.3
57.03337	3.4
59.00954	4.9
59.01254	100.0
60.01583	2.5
61.44345	2.2
65.03834	3.4
70.23462	2.1
71.01266	23.6
71.58126	2.7
73.02824	8.6
83.01261	4.4
85.02836	8.0
87.00729	4.3
89.02331	6.3
92.82278	1.9
93.03352	7.9
99.00774	2.4
101.02352	11.0
109.02845	6.4
113.02357	5.6
116.75819	2.0
119.03397	2.4
121.02856	2.4
125.02362	3.4
132.05899	2.0
133.02846	2.3
135.04446	4.5
135.88066	2.3
137.02312	4.3
138.64136	1.8
145.44089	2.0
147.04469	2.9
151.03954	21.5
151.11203	2.3
161.04466	3.7
163.03926	2.7
173.04466	5.3
175.03970	6.9
189.05460	3.5
190.06319	5.2
191.05522	14.0
191.07065	3.9
205.08672	4.7
219.79396	2.0
231.12321	5.5
238.04135	2.0
257.04520	13.6
257.08200	11.5
376.17679	2.7
377.18152	3.9
389.15982	20.7
419.09555	2.7
419.18768	22.4
420.19159	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.7
58.00446	1.8
59.01252	100.0
67.01758	1.8
71.01255	19.3
71.58591	3.2
71.92161	1.8
72.99191	2.0
73.02815	9.1
75.00759	2.0
83.01249	3.7
85.02810	9.0
87.00736	6.3
87.04340	2.0
89.02332	5.6
93.03320	6.1
96.95865	2.0
99.00767	3.5
101.02299	10.7
108.02008	2.8
108.61864	1.8
109.02859	4.2
109.06531	1.8
113.02330	5.6
118.97906	2.0
121.02801	2.7
133.02792	2.0
135.04410	4.1
137.02411	4.4
143.50287	1.8
147.34633	1.9
151.03922	19.4
152.01073	2.5
161.02151	1.9
161.04500	2.4
163.03909	4.8
173.04457	4.9
175.03897	9.5
177.05635	1.9
187.03711	2.1
189.05576	2.3
190.06256	6.9
191.05513	13.2
191.07042	4.0
193.05011	3.9
194.05788	2.8
195.88937	1.8
203.07040	2.2
205.08650	5.0
208.07344	3.6
217.39426	1.8
231.12334	2.8
236.02658	1.8
257.04456	8.9
257.08136	9.4
258.04874	1.8
329.14758	4.0
333.18851	2.3
359.16867	3.6
374.13806	1.9
377.18024	5.4
389.15918	17.8
390.16388	2.1
419.18600	17.2
420.19229	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1356
Annotation	4-deoxyphloridzin
Peak:m/z	Relative Intensity
50.84133	0.2
52.76807	0.2
59.01249	3.8
65.03842	3.2
69.03301	0.3
69.26399	1.9
69.26815	0.7
69.61076	0.2
71.01271	1.2
73.02832	0.5
73.41334	0.2
78.95778	0.5
84.37076	0.2
85.02834	0.8
89.02328	0.7
91.01798	0.8
93.03338	2.8
101.02344	0.6
107.04906	6.9
108.02043	1.4
109.02849	5.8
111.87337	0.3
113.02332	0.5
122.03630	1.6
133.02853	0.7
135.00778	0.9
135.04440	0.4
137.02344	0.4
143.03342	0.3
147.03101	0.2
149.02385	0.3
150.03137	2.3
151.03915	100.0
152.01048	1.2
152.04253	3.8
153.01852	1.1
161.02428	0.3
161.04529	0.2
162.05496	0.9
163.03932	2.2
163.18343	0.3
173.04503	0.5
179.03488	0.3
184.20877	0.2
191.05560	1.0
193.04999	0.4
213.05505	0.3
215.07095	1.8
222.91365	0.2
257.08170	50.4
258.08536	5.1
299.09097	0.3
419.13412	14.8
419.22394	0.5
419.30219	1.1
420.13608	1.7
420.18454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38538	0.4
55.01753	0.4
57.03321	1.0
58.00486	0.6
59.01253	100.0
59.34193	0.5
60.01588	1.6
67.01814	0.4
71.01250	4.9
71.01563	0.5
73.02837	1.4
83.01265	1.1
85.02821	2.9
87.00755	0.4
89.02343	1.2
93.03362	2.1
99.00773	0.8
101.02325	3.2
101.87038	0.5
109.02847	1.0
113.02348	1.5
121.02878	1.3
123.04448	0.5
125.02383	0.4
129.01843	0.5
135.04453	1.5
137.02353	0.6
155.02603	46.9
156.02966	1.8
161.02374	0.4
161.04486	0.7
173.04478	2.2
179.03476	1.0
187.03946	0.5
191.05534	3.8
201.12880	1.4
202.13026	0.5
215.16521	0.7
267.70142	0.6
419.21872	0.7
419.25613	2.9
419.30460	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0985
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
56.01413	0.4
57.03321	0.7
59.01258	10.3
61.98703	0.5
67.01741	0.5
71.01251	3.2
71.58556	0.6
73.02807	1.1
81.03345	1.6
83.01272	0.9
85.02827	2.0
85.72572	0.5
87.00758	0.9
89.02318	1.4
89.49149	0.4
93.03339	1.6
95.01232	1.2
101.02336	2.2
108.02059	100.0
109.02882	17.1
113.02314	1.0
119.04932	0.7
121.02869	4.1
123.00716	0.6
123.04395	1.0
125.02319	1.2
133.02881	1.1
133.86732	0.4
134.38794	0.6
135.00743	0.6
135.04396	2.1
137.02330	0.8
151.03949	3.1
152.01064	56.9
153.01857	20.0
154.02158	0.7
161.04477	0.8
163.03923	1.8
165.01785	0.7
173.04497	0.8
176.03943	0.7
179.03407	0.9
191.05559	2.3
207.02942	0.5
207.06912	0.5
215.07314	0.6
217.10568	0.6
257.04492	0.8
278.74329	0.5
418.24918	0.6
419.09695	51.2
419.30078	1.8
419.62762	0.8
420.10080	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.5
67.01749	5.8
71.01244	5.8
71.56435	2.6
71.56905	2.6
72.88998	2.1
72.99175	7.4
73.02789	1.8
81.03326	5.2
83.01221	1.9
83.04884	4.3
85.02821	19.8
87.00747	6.9
89.02353	2.1
93.03339	18.8
95.01243	2.3
97.02846	2.4
101.02338	2.3
109.02877	9.4
111.04388	5.5
113.02341	2.4
115.17768	2.0
121.02843	4.1
123.04443	2.7
125.02289	4.6
127.03915	4.8
135.04436	3.0
137.02333	9.6
139.00349	2.1
139.03893	4.7
141.01888	2.5
151.03911	2.2
152.47864	1.9
153.01849	18.5
155.03397	4.2
165.01846	4.9
171.02863	2.3
173.04478	9.5
181.01225	3.2
183.02873	7.3
190.99768	3.8
191.05542	100.0
192.05836	5.5
195.10362	2.1
209.00819	9.6
227.01939	8.4
247.04555	2.8
401.07349	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31539	53.6
53.67900	52.5
62.43739	53.8
67.14211	53.2
104.88621	59.7
229.38638	56.8
417.20950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3374
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
69.93738	5.6
98.20602	1.0
101.11598	0.9
105.43333	0.9
105.78622	1.0
107.04919	11.1
122.03679	1.5
126.72693	0.9
135.04414	100.0
136.04758	3.2
137.39514	0.9
148.05199	3.4
161.06018	5.2
194.09808	1.0
247.38792	1.0
269.54749	0.9
319.63971	1.1
402.31384	11.4
403.31824	1.8
417.21320	1.6
417.33737	45.1
418.34265	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.25
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01761	4.8
55.14660	0.6
57.03319	5.7
58.00466	4.2
59.01253	89.1
60.01610	1.0
69.03336	0.8
69.38215	1.5
69.38610	5.5
71.01254	100.0
72.01581	1.5
72.99184	4.1
73.02822	24.2
75.00748	1.0
83.01258	9.9
83.27659	0.6
85.02824	41.4
86.03190	1.0
87.00753	4.8
87.04398	2.3
89.02319	41.8
93.03327	1.6
95.01264	6.9
97.02827	1.3
98.19817	1.0
99.00756	11.4
101.02325	63.5
102.02692	1.1
104.48801	0.6
109.02856	1.0
113.02332	40.7
114.02677	1.2
116.52164	0.6
119.03393	18.0
119.04764	0.8
123.04541	0.6
125.02331	2.3
125.95385	0.7
129.01857	1.3
129.80086	0.6
131.03415	1.8
135.04401	0.7
136.01260	0.6
137.02364	1.9
143.03430	5.7
149.04512	0.8
151.00267	1.6
159.02904	7.4
159.04256	0.8
161.04466	35.6
162.04839	1.3
163.11240	0.7
166.02654	2.7
169.12198	0.7
173.04512	3.0
179.05583	3.4
181.05014	4.4
191.05547	1.5
195.08057	0.9
199.88390	0.6
205.03572	1.4
207.47351	0.6
214.11084	0.7
242.41132	0.7
243.12427	2.0
255.19679	2.3
266.02374	0.7
266.05267	0.6
357.26688	0.7
371.31473	0.7
417.25076	27.3
418.25482	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
57.03320	1.6
58.61585	0.7
59.01252	100.0
60.01582	1.1
62.53989	0.6
64.65329	0.6
69.44192	1.3
69.44592	5.9
71.01254	10.3
71.04897	1.1
72.99194	0.7
73.02830	3.7
75.00768	1.2
83.01273	1.9
85.02822	3.3
87.00763	1.1
89.02338	2.7
93.03391	0.9
97.02829	1.3
97.06519	0.9
99.00728	1.5
100.06733	0.6
101.02327	4.7
109.02825	5.3
113.02297	3.2
119.03320	0.7
123.04399	0.7
125.02371	1.0
147.04434	1.2
151.00290	1.4
157.51526	0.6
159.04443	7.0
161.04561	2.0
166.02649	3.4
173.04550	1.0
181.05005	6.5
182.83752	0.7
191.05550	1.4
235.10036	0.8
241.14436	0.8
261.74292	0.6
269.08313	2.3
270.25415	0.7
301.20200	1.1
359.11179	0.7
375.24084	0.8
387.11017	1.2
399.24228	3.0
402.13168	0.9
417.13052	1.0
417.16174	1.1
417.20712	0.9
417.25085	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	6.6
57.03323	6.3
57.91584	0.8
58.00468	3.4
59.01252	93.1
60.01587	1.1
69.03339	1.2
69.33780	8.9
69.96124	0.7
71.01255	100.0
71.10437	0.8
72.01593	1.8
72.99190	5.6
73.02822	24.4
74.03149	0.9
75.00771	1.9
83.01262	10.3
83.04862	0.8
84.45095	0.7
85.02827	40.8
86.03173	1.2
87.00770	4.5
87.04409	2.1
89.02321	42.4
93.03350	1.7
95.01274	7.3
97.02836	1.8
98.20581	1.8
98.66495	0.8
99.00762	9.3
101.02327	64.6
102.02676	1.5
106.51998	0.8
110.67291	0.7
111.00794	1.2
113.02332	36.4
114.02703	1.0
119.03400	17.3
120.86185	0.8
121.02818	1.1
125.02374	2.0
129.01840	1.0
131.03401	2.0
135.04375	1.1
137.02319	2.0
143.03398	5.0
149.04480	1.5
151.00258	1.4
159.02921	6.6
161.04478	36.6
162.04855	1.1
166.02631	2.4
173.04547	1.9
179.05556	4.2
181.05009	3.2
191.05577	1.2
205.03397	1.4
243.12323	1.4
255.19688	2.3
270.62860	0.8
275.17328	0.8
346.07217	0.8
357.26376	1.2
402.13626	1.2
417.25131	23.2
417.29871	1.8
418.25272	2.5
438.54724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2283
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
59.01245	1.7
71.01270	0.6
71.57630	0.4
71.69704	0.5
72.36669	0.5
73.02853	0.4
88.98662	0.8
108.02062	1.4
109.02840	4.3
121.02834	1.7
122.03651	3.2
124.01584	0.9
125.09596	1.1
127.11163	0.7
133.02881	1.4
134.03630	2.2
135.04387	3.9
137.02367	1.6
137.09637	0.6
141.09061	0.6
145.02890	0.6
146.03691	3.4
147.04430	15.2
148.05203	92.8
149.02365	0.6
149.05518	4.5
150.03204	0.8
154.02678	1.2
159.04445	3.2
161.06018	2.2
171.10208	2.2
172.05188	1.0
173.05962	4.8
174.03012	0.8
174.06758	0.6
175.03932	5.7
176.04665	1.5
177.05495	1.5
185.06039	2.1
187.03931	5.5
187.07582	4.9
188.04526	1.3
188.08330	1.8
189.09163	2.5
189.81133	0.6
191.10672	0.8
199.07614	0.5
199.09509	0.6
199.11246	0.8
201.05511	1.4
201.09164	3.4
201.11278	2.5
203.10727	10.7
204.11110	1.0
205.05000	7.4
213.11214	2.5
214.09886	0.7
215.10739	5.1
215.12715	0.9
216.11394	1.6
217.12285	13.7
218.12598	0.9
227.10704	1.7
227.12833	1.1
229.12193	0.6
230.12941	0.6
239.12851	1.1
245.11797	7.4
246.12157	1.1
255.58946	0.7
285.89987	0.6
330.14694	1.5
336.22397	0.6
348.15765	42.4
349.16119	4.8
363.19656	1.0
381.20685	2.3
399.16446	0.6
399.21725	11.8
400.21848	1.1
417.22800	100.0
418.23087	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.228
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
61.36409	0.5
69.63763	1.7
69.64192	1.6
71.01229	0.5
80.31672	0.5
81.61356	0.4
82.26142	0.5
84.94975	0.8
93.03307	0.8
98.19811	1.2
103.10683	0.5
108.02065	1.6
109.02852	5.4
110.03135	0.5
119.04881	0.6
121.02847	1.0
122.03622	8.6
123.00754	0.7
123.04439	0.6
124.01569	4.0
125.09624	1.4
127.11140	0.8
133.02855	8.4
134.03645	0.9
135.04417	38.4
136.04733	1.8
137.02370	2.1
139.03926	1.1
146.03632	0.8
147.04411	5.4
148.01573	3.2
148.05200	21.1
148.06392	1.0
149.02380	2.5
149.05884	1.9
150.03156	1.7
154.02634	1.8
159.04388	1.0
161.05960	1.4
163.03925	7.7
164.00020	0.5
164.04546	0.6
171.10191	3.4
172.05197	0.8
173.05986	1.6
174.06761	3.0
175.03894	0.7
175.07599	3.1
176.04715	0.8
177.01749	0.5
177.05493	2.1
187.03966	1.0
187.07564	5.8
188.04649	0.6
188.08069	0.7
199.09689	1.2
201.05527	3.4
201.09227	1.1
201.11243	3.2
215.10742	6.4
216.11366	1.3
217.12286	21.3
218.12630	1.3
219.13809	1.0
229.12231	0.7
245.11790	24.6
246.12521	3.3
247.13359	3.9
302.11389	0.6
307.11783	0.6
308.38626	0.5
309.20728	1.9
320.12692	0.8
320.85443	0.6
322.14279	1.7
330.14795	2.2
348.15918	1.2
356.75909	0.5
389.23126	0.5
399.21710	10.7
400.22141	1.7
417.22812	100.0
418.23108	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07241	1.3
57.03335	5.6
59.01252	100.0
68.36259	1.1
71.01248	4.4
73.02814	1.5
83.04898	7.7
85.02815	1.8
89.02316	1.2
93.03365	1.6
96.95887	1.4
97.06481	6.4
101.02332	2.6
109.02830	2.0
109.06457	2.4
111.08045	59.2
112.08391	3.3
121.02836	1.9
123.08030	3.5
125.09608	56.8
125.18108	1.2
126.09986	1.6
129.09122	2.4
135.04417	3.8
143.10625	2.2
157.45343	1.1
166.02626	2.2
173.04419	1.4
173.08110	52.4
174.08308	1.6
181.05077	2.4
187.09683	45.1
188.09955	1.9
191.05499	7.0
229.10768	1.4
245.39142	1.2
247.11809	15.8
248.12032	1.5
261.13373	11.8
267.31232	1.1
411.38312	1.4
417.21262	43.6
418.21515	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
57.03328	0.9
58.00462	1.1
59.01254	78.5
60.01568	1.1
67.89871	0.5
69.03330	1.3
69.36893	6.3
70.57161	0.5
71.01256	38.2
71.32296	0.6
72.01584	0.7
72.99184	3.4
73.02821	26.4
74.03156	0.7
75.00751	0.9
82.00937	0.5
83.01261	7.5
85.02829	9.3
87.00760	4.6
89.02317	15.8
91.80610	0.6
95.01263	3.0
99.00749	1.9
101.02323	26.0
110.31075	0.8
113.02332	12.3
119.03383	4.3
125.02306	1.3
131.03410	0.7
143.03349	0.9
144.73177	0.6
151.94933	0.6
155.03352	0.8
161.04465	1.9
181.04984	1.2
183.13860	1.7
191.05559	1.3
195.13837	17.1
196.14162	1.0
203.40822	0.6
213.14883	8.2
214.15199	0.6
216.64909	0.6
357.19229	17.6
357.59119	0.6
358.19458	2.8
358.23410	0.6
375.20233	42.3
376.20563	5.9
393.01810	0.7
417.21277	100.0
418.21689	13.3
426.86072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.6
57.23367	1.2
59.01251	100.0
60.01593	1.7
67.96481	1.2
69.87092	5.5
69.96780	1.1
71.01257	28.6
72.99189	1.2
73.02818	3.2
83.01257	1.7
85.02827	8.4
87.00725	1.4
89.02320	28.2
95.01283	2.5
98.19842	2.0
99.00742	1.4
101.02328	18.0
108.75717	1.0
113.02321	12.2
119.03400	13.5
135.04428	1.2
143.03430	3.3
159.02959	2.4
161.04454	21.6
165.99344	1.1
177.09111	6.3
179.05521	5.8
191.05612	1.6
195.10130	2.7
202.64531	1.0
288.44730	1.3
357.15549	20.2
358.15839	1.2
413.85110	1.2
417.17850	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
55.01756	1.7
55.37802	0.4
55.85894	0.3
57.03318	1.6
58.00479	1.6
59.01254	100.0
60.01597	1.3
67.54454	0.3
69.03339	1.0
71.01257	41.7
71.57980	0.6
72.01599	0.9
72.99196	2.6
73.02822	35.3
74.03206	0.4
75.00760	1.4
81.03331	0.7
83.01262	13.9
83.04903	0.5
84.01611	0.4
85.02827	9.1
87.00755	2.3
88.03936	0.4
89.02320	14.2
93.03352	1.2
95.01259	2.1
95.04893	0.4
97.02857	0.9
99.00755	2.0
99.04414	0.7
101.02326	37.9
102.02644	0.8
109.02866	0.7
111.04416	0.5
113.02335	11.4
119.03392	6.6
119.04918	0.8
121.02860	0.4
123.04439	0.4
125.02367	1.9
131.03391	2.4
135.04436	0.7
137.02359	0.6
137.09685	0.5
143.03407	3.5
144.83435	0.4
144.84625	0.4
149.04448	2.6
150.03052	0.5
150.13644	0.4
151.11229	0.7
153.01749	0.5
155.03426	1.3
159.02919	0.7
161.04482	9.2
169.12251	0.7
173.04477	1.1
177.09137	3.2
179.05580	1.2
181.04820	0.4
184.30664	0.4
187.09621	0.5
191.05501	2.2
195.10211	1.4
197.02847	0.4
203.05618	0.7
213.05695	0.5
213.11398	0.6
221.06735	0.5
237.11317	0.5
243.12285	0.7
255.06639	1.2
290.00598	0.4
331.17615	5.8
332.17899	0.5
332.75098	0.4
357.15518	1.2
375.16516	1.6
375.20627	0.5
399.16522	5.0
400.16913	0.7
405.94781	0.4
417.17578	35.1
418.17871	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.1
55.61781	1.0
57.03314	2.7
59.01251	100.0
60.65324	0.9
61.98696	1.1
64.09108	0.9
65.61022	1.1
69.48544	4.5
69.48956	3.2
71.01254	35.6
72.99194	2.2
73.02824	16.0
75.00740	4.0
83.01249	4.1
85.02818	14.5
87.00754	2.3
89.02318	14.7
89.90926	1.2
93.03358	0.9
95.01282	2.0
98.64845	0.9
99.00768	5.5
101.02326	27.1
102.02654	0.9
111.08053	2.1
113.02333	17.0
114.16891	1.0
115.52130	1.0
119.03395	4.8
120.02764	1.0
125.02322	1.4
125.87750	0.8
129.01823	2.4
137.55231	0.9
139.07553	14.6
143.03426	3.2
143.91066	1.0
149.04503	2.2
150.04797	1.1
159.02919	3.7
161.04463	34.5
162.04803	0.9
173.04524	1.8
177.09111	1.6
179.05544	1.1
187.21082	0.9
191.05511	1.5
195.05045	4.6
195.10236	4.8
239.12842	2.3
243.12395	3.8
255.06560	2.9
286.47012	1.0
331.17825	1.5
337.99615	1.2
357.15488	17.6
358.15741	2.1
375.16489	1.3
399.16583	2.3
417.17593	24.6
417.22830	2.0
418.17978	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81097	0.1
59.01253	1.7
65.00187	0.2
67.01770	0.5
68.99712	0.2
69.03345	0.3
69.34525	0.2
69.34923	1.2
71.01262	0.7
73.02826	0.4
81.03339	0.4
83.01273	0.3
84.02053	0.3
85.02836	0.8
88.92017	0.1
93.03349	0.7
95.01272	1.3
95.04904	0.5
97.02769	0.2
98.20548	0.3
101.02353	0.2
105.03334	0.3
107.04922	0.4
108.02051	0.4
109.02835	4.6
110.03131	0.2
111.00746	0.8
116.39078	0.1
119.04990	0.2
121.02856	1.3
121.06462	0.3
122.03600	0.2
123.00773	5.7
123.04439	0.9
124.01621	0.8
125.02372	1.2
131.04933	0.4
133.02846	0.4
135.00809	0.4
135.04456	0.3
136.01550	0.3
137.02348	18.4
138.02792	0.6
139.00264	0.4
139.03964	0.9
147.04398	0.5
149.02357	2.2
149.06021	0.3
150.03181	0.8
151.00279	31.4
151.03886	1.9
152.01089	3.6
152.04689	3.2
153.01802	0.4
153.05490	0.4
154.02597	0.3
158.03690	0.2
159.04440	0.6
161.02361	0.6
162.03151	0.2
163.03888	0.9
164.04721	0.6
165.01849	1.2
165.05502	0.2
166.02634	71.6
167.03290	5.3
168.03925	0.2
173.02365	0.4
173.04465	0.2
174.03197	0.3
175.03938	1.6
175.07489	0.2
176.01031	0.2
176.04633	0.2
177.01857	4.8
177.05484	0.5
178.02596	0.8
179.03418	0.8
179.07060	0.3
181.04996	100.0
182.05331	5.1
184.03711	1.0
187.03847	0.2
188.04713	0.3
189.01976	0.1
189.05510	0.5
190.02635	0.5
190.06300	1.5
191.03468	1.1
191.05264	0.2
191.07062	0.2
192.04231	1.6
193.05003	1.1
195.02858	0.8
201.11298	0.1
202.02724	0.3
203.03391	0.8
204.04256	0.2
205.05067	1.5
205.08635	2.3
206.05746	0.3
207.06569	1.7
209.04489	0.5
215.06993	0.2
215.18622	0.2
217.04967	0.2
218.05672	0.3
219.06644	0.6
220.07199	0.2
221.04474	0.4
221.08174	0.2
224.03281	0.3
233.08076	0.2
235.06137	0.2
243.06651	0.2
255.06798	0.2
257.08228	0.2
259.09833	0.2
263.46692	0.1
269.04578	0.2
271.06216	0.2
281.04443	0.2
285.07831	0.2
296.06952	0.2
299.05685	0.3
301.07129	0.6
301.10480	0.2
309.04199	0.2
311.09229	0.2
313.07248	0.2
314.08023	0.3
316.09354	0.2
329.10541	0.7
329.13889	0.1
341.10220	0.4
342.07562	0.2
344.08936	0.3
356.12674	0.4
357.09686	0.7
359.11401	2.8
360.11853	0.3
369.09875	0.3
371.14999	0.9
372.08484	0.4
387.10855	16.6
388.11105	2.0
388.53513	0.1
399.23801	0.3
402.13205	13.4
403.13559	1.5
417.15570	21.4
417.24908	0.9
418.15884	2.9
418.25098	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1555
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
57.84595	0.5
59.01244	1.7
67.01750	0.6
67.42374	0.5
69.60078	4.0
69.60411	1.0
71.01273	0.6
73.02845	0.5
85.02821	1.0
95.01246	0.8
101.02322	1.2
109.02853	4.1
121.02850	0.9
123.00037	0.5
123.00751	3.3
125.02379	0.9
135.00797	0.6
135.04468	0.6
135.34633	0.6
137.02351	16.1
138.02849	0.6
139.00298	0.9
139.03899	0.7
147.04436	1.2
149.02330	1.5
151.00278	27.8
151.03938	2.3
152.01100	3.0
152.04709	3.3
159.04442	0.5
163.03963	0.9
165.01823	1.2
166.02631	67.4
167.03357	4.9
175.03934	1.3
176.01027	0.6
177.01816	3.5
177.94531	0.6
179.03355	0.8
181.04993	100.0
182.05351	4.9
184.03700	1.0
189.01756	0.6
190.06268	1.3
191.03435	0.8
192.04247	1.2
193.04947	1.7
205.04990	0.8
205.08649	2.4
207.06589	1.3
209.04472	0.6
219.06488	0.8
277.39545	0.6
301.07144	0.6
341.10242	0.6
357.09851	0.8
359.11407	3.1
371.15015	1.0
387.10843	18.0
387.15628	1.3
388.11273	2.0
402.08337	1.3
402.13217	13.1
403.13455	2.0
417.15549	20.9
417.24652	1.2
418.15826	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.9
56.26151	4.9
59.01248	61.0
65.99701	5.1
68.01295	26.7
68.79351	4.5
68.99686	6.8
69.35001	48.4
71.01252	49.1
72.99174	32.8
73.02805	8.3
75.00742	100.0
83.01266	6.2
85.02821	12.5
85.20953	4.0
85.44704	4.4
87.00751	89.2
89.02309	63.8
90.03349	7.3
94.02855	14.0
94.78597	4.1
95.01270	5.9
97.02835	5.8
98.02361	24.8
99.00745	16.6
101.02326	32.4
108.04447	5.0
110.02372	27.6
111.00730	9.7
112.03901	4.6
113.02330	31.9
115.65952	5.0
117.01789	6.6
119.03342	10.4
122.02370	18.3
123.00767	5.7
125.02383	9.7
129.01790	9.6
134.02371	21.4
136.03986	4.8
137.02274	4.8
140.03369	8.9
141.01833	20.2
143.03442	6.1
150.01892	4.9
152.03406	18.7
159.02882	8.2
161.04449	18.9
164.03456	23.8
179.05481	32.7
182.04533	19.9
200.05576	7.5
201.94107	4.2
227.54254	4.4
254.04170	7.4
258.15448	4.3
341.10822	14.1
344.09882	5.5
362.10931	23.0
380.12009	26.2
416.09515	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58109	0.5
51.90994	0.5
57.03329	0.9
58.00467	0.6
59.01253	100.0
60.01582	1.8
71.01257	17.0
71.58875	1.1
73.02821	4.1
76.13974	0.5
78.61263	0.5
83.01270	1.5
85.02819	5.2
87.00764	2.0
87.04399	0.7
89.02322	8.1
95.01280	1.7
99.00777	0.7
101.02326	7.3
113.02338	8.3
119.03400	2.7
125.02361	0.9
143.03423	0.9
161.04530	1.3
191.05600	2.4
197.11777	0.7
415.23773	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.8
57.03318	2.7
57.21296	0.7
58.00480	0.5
59.01253	100.0
60.01595	1.8
64.30038	0.5
67.78625	0.5
69.03336	0.7
70.92213	0.6
70.92548	1.3
71.01254	15.6
72.99191	1.7
73.02827	4.9
83.01286	1.6
85.02824	7.0
86.25970	0.6
87.00764	1.4
89.02318	8.9
89.02829	0.8
93.03353	2.4
95.01288	0.7
97.06455	0.7
99.00784	1.7
101.02328	12.0
109.02859	2.0
113.02330	7.3
119.03411	3.4
121.02794	0.7
123.08084	0.6
125.02322	0.9
125.09657	0.7
135.04466	2.1
137.02394	2.4
143.03471	1.0
144.59854	0.6
145.31342	0.6
149.05983	0.6
151.00348	0.6
155.10756	0.6
159.02908	0.7
161.02383	0.9
161.04469	3.0
161.05887	0.5
171.10240	0.8
173.04498	1.8
176.96855	0.5
179.03426	1.0
179.05562	1.1
185.11778	1.0
191.05540	2.0
191.07146	0.6
211.13303	0.6
215.90581	0.7
253.05153	1.8
289.64825	1.0
329.19763	1.2
337.24152	0.7
355.24966	5.2
373.18793	3.1
373.26242	2.6
383.17209	0.6
387.27682	1.6
415.10748	0.9
415.18887	6.7
415.22925	1.3
415.27710	7.6
416.19952	0.8
416.27765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82795	0.5
59.01240	2.4
63.50539	0.5
71.49712	0.9
74.98972	6.6
77.00536	75.0
78.00869	0.8
96.68221	0.5
147.08072	1.5
149.09578	1.6
161.09578	1.0
163.11200	2.4
169.47548	0.5
172.17099	0.6
177.87349	0.5
187.11174	2.3
192.07829	0.6
201.03844	0.5
218.61838	0.5
222.49489	0.5
251.40689	0.5
279.22241	0.5
280.14676	1.1
298.03662	0.5
299.02966	0.6
309.22336	3.0
321.18594	1.1
337.21713	100.0
338.22043	13.2
384.06876	0.6
415.23105	9.9
416.23462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62175	1.0
55.01755	3.3
57.03321	22.1
58.00464	4.0
59.01253	100.0
66.14439	1.1
69.03314	3.1
69.28909	1.1
69.29872	5.0
69.30292	7.9
71.01253	62.4
72.99185	16.6
73.02821	13.2
75.00745	15.6
83.01258	5.9
83.04883	1.8
85.02827	23.9
87.00755	21.1
87.04356	1.3
89.02321	46.4
93.03344	3.5
95.01266	3.7
97.02798	1.4
98.19824	2.6
99.00772	6.4
101.02325	30.4
103.00269	6.2
105.01810	4.0
107.04886	2.4
109.02851	1.9
109.06467	4.6
113.02334	23.4
117.01814	1.7
119.03383	7.4
121.02869	1.6
121.06484	1.1
123.04438	2.6
123.08047	8.0
125.02313	1.7
125.09605	1.6
129.01804	3.0
131.03394	10.3
135.02917	1.4
135.04449	1.8
135.08066	1.7
137.02370	2.7
137.09566	1.2
148.01556	1.8
149.04457	8.5
149.09625	2.1
151.03964	1.4
151.07515	1.6
151.11197	3.7
153.01810	1.6
154.49367	1.2
159.02835	1.4
161.04410	2.8
161.09601	1.4
161.19298	1.2
163.03824	3.0
165.05498	2.1
167.10725	1.7
173.04504	6.8
175.02380	5.8
177.05504	1.6
177.12791	5.4
179.05609	1.4
179.10542	1.6
181.04971	5.9
181.12238	2.0
182.05542	1.4
191.05528	3.5
191.10727	13.2
192.10988	1.5
193.03502	7.5
193.12300	3.0
195.06653	1.9
195.13841	11.6
196.07407	7.6
197.11794	1.3
209.11697	1.9
211.09691	11.3
211.13292	2.2
221.11778	9.5
227.31831	1.3
234.05280	4.1
235.06082	3.3
235.09747	3.7
235.51530	1.2
236.42586	1.1
237.11264	1.5
239.12878	25.9
240.13254	2.6
241.45554	1.2
252.04286	6.9
253.05025	11.8
255.12341	4.9
281.13870	5.9
290.39478	1.2
325.09439	1.4
340.11642	3.7
355.13953	28.3
356.14301	2.6
373.15015	20.1
374.15445	1.9
380.18732	1.3
397.15506	1.7
415.16089	54.5
416.16379	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01761	1.4
57.03314	2.4
58.00456	3.1
59.01251	88.9
60.01566	1.4
68.09472	0.7
69.03297	1.0
71.01252	65.6
71.37605	1.8
72.99169	3.7
73.02823	18.0
75.00742	2.6
83.01259	2.2
85.02828	9.7
86.03141	0.8
87.00761	3.5
89.02316	100.0
90.02627	1.8
95.01250	2.5
97.02828	1.8
99.00753	25.9
99.76246	0.8
100.01080	0.9
101.02325	35.3
102.02648	1.8
103.14872	0.7
109.02877	1.2
113.02324	12.6
119.03395	9.3
125.02366	4.0
131.03401	16.9
143.03349	1.9
149.04462	45.6
150.04774	1.5
161.04451	3.6
173.04462	0.9
179.05542	3.6
191.05531	12.1
191.10712	1.0
193.08679	1.0
211.09793	1.4
221.06534	0.9
234.05325	2.1
235.09991	0.9
239.12804	2.0
251.07654	2.0
327.78290	0.8
370.85025	0.9
373.14697	1.0
415.16260	6.9
416.16422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86512	0.9
55.01745	2.5
57.03049	1.0
57.03316	2.3
58.00462	3.8
59.01251	100.0
60.01594	1.1
65.85054	1.0
66.81631	1.0
67.40844	0.9
69.03322	2.0
71.01253	70.8
71.57592	1.5
72.01585	1.0
72.99183	5.5
73.02821	8.0
81.03339	2.3
83.01262	6.4
85.02825	15.8
87.00745	10.6
89.02318	76.0
90.02635	1.6
94.07896	1.0
95.01250	4.2
97.02829	7.1
99.00762	3.6
101.02323	53.7
111.00764	1.5
113.02335	24.8
119.03395	23.3
125.02336	14.0
129.37892	1.0
131.03426	4.7
143.03391	9.9
149.04483	1.9
151.72536	1.0
161.04463	9.9
179.05553	20.9
185.04515	1.6
200.39195	1.0
221.06543	7.1
235.08165	11.2
253.09238	6.2
263.07739	4.2
287.07776	1.7
305.08871	1.7
323.09906	1.7
415.14584	59.6
416.14865	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.1
57.03320	5.4
59.01250	34.7
67.01750	1.4
69.03334	1.8
71.01255	16.7
71.57861	0.9
72.99179	9.8
73.02818	6.2
75.00746	18.7
79.25246	0.9
81.03334	3.6
83.01231	2.0
83.04859	1.7
85.02814	14.1
87.00738	3.6
89.02315	4.7
93.03320	3.6
95.01239	4.7
97.02817	1.6
99.00734	4.0
101.02340	5.5
103.04872	0.9
105.01801	6.3
107.01189	1.2
108.02050	92.0
109.02840	74.6
110.03185	1.8
113.02299	4.6
117.05470	2.1
119.03342	1.1
121.02810	2.0
121.06464	3.6
123.00747	4.4
123.04372	1.6
123.08054	1.5
124.01510	3.1
129.01836	14.2
133.02837	2.0
135.00768	1.6
135.02892	3.0
135.04395	1.9
137.02368	5.4
147.02892	9.8
151.03876	1.7
152.01053	84.6
153.01840	38.1
154.02229	2.2
161.04439	1.9
163.03908	1.3
165.01881	2.1
165.09146	6.2
167.03339	1.4
191.01903	3.8
191.05444	2.8
209.08185	1.7
235.13313	2.7
297.06076	1.5
315.07123	5.9
357.08224	15.4
358.08258	1.2
372.32025	1.1
397.11441	7.2
415.12344	100.0
416.12717	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.7
57.05453	1.2
57.56832	1.1
59.01257	18.3
69.73516	4.9
69.73920	3.5
71.01248	11.9
71.04873	1.7
72.99169	4.1
73.02821	12.5
73.24816	1.4
74.82131	1.2
75.00744	18.4
81.03332	1.6
81.60235	1.2
85.02824	6.3
87.00735	1.7
89.02309	4.8
93.03326	3.0
95.01266	2.9
99.00738	2.8
101.02310	4.7
105.01817	4.1
108.02061	75.4
109.02847	62.2
109.03610	2.5
109.86066	1.4
110.03117	1.5
113.02344	3.6
117.05442	5.2
118.97989	1.3
119.03383	2.5
121.02849	1.4
123.00771	1.6
123.04376	2.1
129.01794	1.9
135.04463	1.5
137.02362	12.5
147.02898	5.7
151.03868	1.9
152.01064	62.2
153.01859	36.3
165.01842	2.1
173.04445	3.1
191.05557	4.4
193.04915	1.5
235.06000	1.7
253.07089	3.9
280.47751	1.4
297.06067	1.4
315.07034	2.2
317.13596	1.5
371.09763	10.3
397.11389	2.0
415.12354	100.0
416.12662	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56292	0.6
57.03313	1.3
59.01251	100.0
60.01573	1.2
71.01257	13.3
71.58307	1.4
72.99187	1.8
73.02826	5.1
81.03381	0.8
81.28590	0.7
83.01267	2.0
85.02823	6.9
87.00756	1.9
87.04400	2.0
88.60051	0.8
89.02316	5.6
91.01791	1.2
93.03352	3.4
95.01256	1.7
97.02870	0.8
99.00781	1.6
99.04418	0.8
101.02328	7.7
108.07127	0.7
109.02846	1.0
111.00718	1.1
113.02329	6.7
119.01314	0.7
119.03432	1.6
121.02817	2.0
125.02335	2.3
129.29089	0.8
135.04437	1.6
137.02319	1.5
143.03366	1.2
151.00319	1.7
151.03915	18.0
151.07515	1.2
153.01813	1.0
161.04466	1.7
167.03531	0.7
169.01396	0.7
173.04494	1.3
179.03540	0.8
191.05573	3.5
292.31198	0.8
315.18231	0.9
393.90704	0.8
415.23605	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03186	5.3
59.01251	100.0
71.59083	9.1
76.66087	5.0
92.59761	6.2
100.99211	6.7
114.08795	5.6
118.25967	6.4
160.25136	5.4
166.57326	5.2
224.24963	6.2
262.38885	6.7
406.74454	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.26025	31.9
77.61569	2.5
84.37938	3.1
118.53909	3.1
155.22745	3.1
161.10884	3.2
165.53264	2.9
309.86426	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01250	100.0
60.01589	1.3
71.01257	8.9
71.35313	1.0
72.99172	1.0
73.02818	3.6
73.94473	0.7
78.95813	1.2
83.04863	0.9
85.02821	2.6
87.00761	1.4
89.02325	5.1
93.03336	2.3
95.01253	0.8
96.96806	0.8
97.50085	0.6
99.00780	0.6
100.04021	0.7
101.02330	6.6
102.33875	0.6
102.96170	0.7
108.02042	0.9
109.02819	1.2
113.02347	3.4
119.03406	1.9
121.02834	1.0
130.08665	2.0
135.04424	1.7
137.02316	3.2
139.00294	1.0
152.01050	1.7
152.81088	0.7
153.01872	0.9
165.01851	0.6
173.04489	2.4
176.03937	0.9
176.25392	0.7
179.03404	1.2
179.05527	0.7
189.05525	1.3
191.05542	3.1
191.72514	0.6
208.00081	1.4
235.00548	0.6
273.50543	0.7
284.19757	0.8
287.95480	0.7
413.07129	0.9
413.14111	1.2
413.23532	1.1
425.27228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.5
59.01250	100.0
60.01582	0.8
70.29472	0.4
71.01260	4.4
71.18700	0.8
73.02814	1.0
79.74196	0.5
82.70963	0.5
85.02825	2.0
89.02334	2.2
89.30079	0.4
93.03352	1.5
95.01263	0.5
99.04436	0.4
101.02347	2.2
101.05981	1.4
108.02003	0.5
109.02850	1.2
113.02332	1.5
119.03439	1.0
122.03623	16.8
123.04439	0.9
135.04408	0.6
137.02374	1.6
151.06328	0.4
152.13101	0.5
161.04562	0.7
165.05524	1.2
170.95995	0.4
191.05516	0.6
198.20247	0.4
213.09135	0.4
224.70561	0.5
276.57654	0.4
284.32965	0.5
369.15701	0.9
379.46548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64058	0.3
54.53154	0.3
57.03327	1.1
58.00474	0.4
59.01251	100.0
60.01582	0.9
71.01253	6.8
73.02820	2.0
75.00784	0.3
83.01274	0.9
85.02828	4.0
89.02318	1.1
95.01278	0.4
99.00760	0.9
101.02323	4.8
111.27423	0.4
113.02324	2.8
119.03399	0.4
125.02377	0.3
137.09576	0.3
143.03369	0.4
159.02930	0.4
161.04482	3.0
162.11691	0.3
209.15388	1.5
353.19583	1.8
371.20758	6.5
372.21170	0.8
404.50317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03332	0.5
57.23083	0.5
59.01252	100.0
60.01589	0.7
64.72607	0.5
69.57298	3.7
71.01257	6.4
72.99198	0.6
73.02827	1.9
83.01270	0.8
85.02846	2.0
89.02317	3.9
93.03371	0.7
95.01302	0.5
98.19886	0.9
101.02327	4.0
113.02336	3.4
119.03438	1.6
137.02428	0.5
161.04506	1.2
164.64803	0.5
179.03546	0.5
191.05515	0.5
315.82050	0.5
420.61276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87607	0.7
57.03318	0.7
59.01254	100.0
60.01598	1.0
63.95125	0.6
69.44527	4.0
69.44946	1.8
71.01259	3.4
73.02839	1.2
77.68255	0.6
85.02818	1.8
87.03764	0.6
98.48855	0.7
101.02338	1.7
103.82090	0.6
112.51205	0.7
113.02361	1.4
119.86732	0.6
158.23994	0.7
161.04471	1.1
214.12770	0.6
342.56409	0.7
353.19772	1.0
368.78937	0.7
371.20654	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.5
58.16667	1.8
59.01248	14.6
61.98677	2.4
71.57554	3.7
72.97392	3.0
73.75357	1.8
74.98966	8.6
83.04912	2.3
86.98972	4.6
87.00776	5.2
97.06432	2.1
101.00552	4.5
106.60637	1.8
107.08516	2.3
109.92616	1.9
126.40260	1.9
135.04439	2.8
137.09651	2.5
139.11189	2.4
153.09120	6.6
153.12733	2.7
155.14314	3.5
179.14322	2.1
182.07710	2.4
184.09177	7.0
187.07942	3.9
191.05554	2.8
193.08876	1.7
199.13263	2.6
216.08241	5.5
247.20648	9.8
273.18671	2.5
291.19650	29.2
292.19879	3.9
293.21237	3.6
295.22675	4.5
307.17603	2.4
325.18414	100.0
326.18808	6.6
353.10217	2.2
413.20050	67.4
414.20358	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
64.90901	0.5
71.01274	1.9
71.02028	1.3
71.02360	0.9
73.02830	2.0
93.03309	0.7
101.02345	1.6
107.59518	0.6
110.18249	0.6
113.02326	1.3
135.04491	0.7
149.09624	18.7
150.09999	1.0
173.04482	0.8
181.36485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13610	0.4
55.01751	0.7
57.03314	1.2
58.00460	1.9
59.01251	35.0
59.12517	0.4
60.01571	0.6
67.75250	0.4
71.01254	21.9
72.99181	2.6
73.02815	1.8
79.05412	1.6
81.03336	0.5
83.01268	1.9
85.02827	6.2
87.00757	1.8
89.02318	16.4
93.03338	2.0
95.01244	2.1
97.02837	0.6
97.06565	0.4
98.19659	0.7
99.00777	0.6
101.02323	11.7
107.04917	7.5
108.02018	0.5
109.02839	0.9
109.36747	0.4
111.04386	0.4
113.02331	7.9
119.03384	6.4
121.02792	1.1
122.03586	0.9
123.04467	0.6
125.02386	0.6
131.03430	0.5
131.08554	1.1
134.03609	0.5
135.04399	1.1
137.02307	1.5
143.03363	0.9
149.02353	0.7
150.03104	0.5
151.03957	0.8
159.04422	1.0
161.02412	0.8
161.04463	1.0
162.03194	0.5
166.02612	0.8
171.08086	1.1
173.04437	1.1
173.05923	1.1
175.07564	27.3
176.07884	1.6
177.09126	1.9
179.03319	0.8
187.07571	11.0
188.07913	0.7
189.09097	4.7
191.05589	2.1
197.06210	0.5
203.07074	1.7
205.08656	4.1
215.07079	12.0
231.06819	0.5
233.08156	100.0
234.08511	6.5
235.09679	2.5
278.35077	0.4
413.14508	36.4
413.19894	1.2
414.14767	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42276	0.7
55.01772	1.0
57.03337	1.3
58.00468	1.6
59.01250	40.9
69.29375	1.0
69.29779	7.5
71.01250	21.6
72.99194	2.8
73.02825	2.2
79.05413	1.7
83.01273	3.0
85.02821	6.4
87.00756	1.9
89.02321	15.7
91.89791	0.7
93.03339	1.1
95.01266	2.4
101.02317	9.4
107.04893	6.0
109.02866	0.7
113.02333	8.7
119.03387	6.0
121.02803	0.7
122.03643	1.1
131.08569	1.3
134.03610	1.0
135.04407	1.0
137.02371	0.9
146.46794	0.7
150.03120	0.9
151.03917	1.1
157.06523	1.1
159.08102	0.9
161.04453	1.8
166.02644	0.9
173.04543	0.8
175.07573	28.7
176.07857	1.5
177.09113	2.0
179.03438	1.0
187.07552	9.8
188.07939	0.7
189.09169	5.4
191.05531	2.0
203.07053	1.5
205.08620	4.6
209.08148	0.9
215.07065	12.9
216.07382	1.3
233.08157	100.0
234.08472	6.9
235.09727	2.2
266.80234	0.7
294.83377	0.8
298.73474	0.8
413.14471	31.3
414.14771	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	33.6
71.01248	4.5
71.58019	2.0
73.02820	4.0
78.80280	2.1
78.95828	3.2
80.03039	2.2
85.02805	3.6
96.95847	3.7
104.02562	4.0
104.93587	2.3
124.01547	7.5
127.68734	2.2
148.01547	8.2
153.01826	2.5
155.83006	2.2
176.01088	67.5
177.01485	2.5
191.03447	100.0
191.05307	5.4
191.07056	3.3
192.03857	5.0
196.03526	2.2
209.08151	6.5
277.35550	2.2
342.22424	2.5
401.48676	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02832	0.7
58.46941	0.6
59.01251	38.3
65.15754	0.7
69.28879	7.9
69.84149	0.6
71.01237	2.0
73.02827	0.8
85.02826	1.3
87.00736	1.0
87.71374	0.7
95.75343	0.8
101.02303	1.1
102.92460	0.6
104.02565	6.3
109.02829	1.7
119.03428	0.6
119.04871	0.7
124.01557	2.8
134.68799	0.8
135.04439	1.1
137.02364	0.9
148.01567	8.6
151.03922	0.8
161.02335	0.8
176.01067	87.8
177.01419	4.4
191.03426	100.0
192.03775	7.0
201.17581	0.6
209.08124	2.1
249.09573	0.9
275.29581	0.8
323.12888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
63.09922	8.9
69.44968	78.6
69.45305	12.9
74.29297	8.4
98.20565	18.7
126.93423	8.6
144.51248	7.3
145.63063	9.2
181.26915	9.7
203.58945	8.8
351.73465	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61495	8.4
56.78813	9.4
59.01247	87.2
69.28113	100.0
71.55800	8.7
78.95837	9.5
82.55885	9.1
85.72135	8.9
97.38866	11.6
122.04329	9.6
167.56042	11.7
205.70279	9.5
374.22977	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10836	1.4
58.49784	1.3
59.01252	17.0
61.98700	4.0
66.54864	1.4
69.99963	8.0
70.64267	1.4
71.01233	3.5
72.99193	4.1
75.00748	64.3
85.71084	1.5
89.02319	9.5
89.86687	1.4
108.73115	1.6
111.92918	1.7
116.39780	1.4
117.01852	2.9
121.10116	20.5
135.02898	72.0
155.88029	1.8
161.02516	1.6
171.10194	59.5
185.11856	2.0
231.21071	4.7
231.50267	1.4
232.11548	1.5
275.20163	100.0
275.40778	1.4
276.20465	12.1
293.21213	84.4
294.21591	10.0
367.16434	2.0
411.20514	2.2
437.99298	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85059	1.1
59.01251	100.0
59.47338	0.9
60.01573	1.5
68.05986	1.3
70.60700	1.1
71.01258	12.6
71.35286	2.5
73.02814	11.2
83.01257	2.6
85.02823	3.0
85.68653	0.9
86.86847	1.1
89.02306	3.4
91.21530	1.1
95.01273	1.4
101.02323	8.8
102.22525	1.1
111.99667	1.1
113.02343	5.8
113.98878	1.3
120.99389	1.0
137.09604	4.2
151.69426	1.2
162.01692	1.2
245.61446	1.0
418.39441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29694	0.8
58.00441	1.0
59.01253	15.2
61.98698	3.7
70.00014	4.2
71.01250	3.6
72.99180	4.5
75.00748	69.5
76.01080	1.4
76.27362	0.7
87.00725	1.7
87.05518	1.0
89.02312	8.4
93.03329	0.9
99.00718	1.5
99.92392	1.3
100.92490	1.2
101.92280	1.4
115.91967	1.8
116.91990	0.9
116.92759	1.1
117.01846	2.2
117.91837	1.3
121.10123	23.0
122.10444	1.1
133.02879	1.0
135.02893	75.6
136.03249	1.6
144.91196	0.8
161.02386	2.6
171.10188	59.7
172.10535	2.0
173.04515	1.4
177.16573	1.0
179.03436	1.6
185.11734	2.5
191.05444	1.3
197.09705	1.0
201.11360	1.1
229.19278	1.0
231.21074	5.4
273.06415	1.1
275.20157	100.0
276.20535	10.0
293.21231	90.0
294.21570	7.9
309.20468	1.1
349.17819	1.1
359.62762	0.8
365.17072	1.1
367.18680	1.0
411.18155	4.0
411.28433	1.9
426.42090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
71.01257	15.8
73.02819	17.1
75.84873	1.2
76.61314	1.1
83.01266	3.8
85.02856	2.6
89.02321	4.6
94.65646	1.1
95.01217	1.2
101.02319	15.6
113.02325	7.4
114.76809	1.1
119.03389	2.0
137.09624	4.1
161.04408	2.7
189.12816	1.5
206.76031	1.3
229.25662	1.4
237.13530	1.3
389.07834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30831	0.5
52.49266	0.5
59.01241	1.8
60.97398	2.4
61.98700	4.9
70.65539	0.5
71.44862	0.8
72.97408	18.5
82.45470	0.5
87.00754	100.0
88.01098	1.3
93.03333	0.7
96.02850	0.5
96.95917	0.8
118.35001	0.5
135.04443	2.4
137.09616	0.7
139.11182	0.6
161.02336	1.0
173.04509	0.8
179.03513	0.7
188.19182	0.5
191.05518	1.5
243.08868	0.6
245.19014	0.8
289.18164	1.0
293.21210	3.0
315.19601	0.5
323.16891	5.1
331.17386	1.2
349.18491	2.9
393.17319	1.6
411.18896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65041	0.9
59.01255	100.0
60.01584	1.8
62.25669	0.9
71.01260	4.4
71.58363	1.1
73.02834	1.4
78.95782	1.9
84.47441	0.8
85.02825	1.8
89.02318	2.1
93.03344	1.5
96.95869	1.1
99.70782	1.1
101.02327	2.3
109.02832	1.5
113.02362	2.6
115.70380	1.0
119.03445	1.5
135.04445	1.6
140.73036	0.9
173.04459	2.5
177.01735	1.3
179.03497	1.1
191.05530	4.9
198.94835	1.0
207.02802	1.5
220.02724	1.0
249.07587	1.1
251.09236	1.0
255.08890	1.6
264.42529	1.0
351.20395	3.0
420.82697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1663
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
57.03310	2.3
58.00468	2.1
59.01253	100.0
67.01751	1.6
69.03329	2.2
71.01256	46.9
71.58920	2.0
72.99175	3.4
73.02819	38.6
81.03320	11.1
83.01261	12.2
85.02812	8.7
87.00766	3.5
89.02320	16.7
93.03362	3.7
95.01282	3.4
97.02840	6.7
99.00737	2.4
101.02326	38.2
106.04100	1.5
107.04899	4.3
108.02058	5.2
109.02850	5.9
109.06487	3.2
113.02328	13.7
119.03415	6.7
121.02796	3.2
121.10754	1.2
122.03627	2.6
123.04391	1.6
124.01557	1.3
131.03349	1.5
133.02791	1.8
134.03651	2.0
135.04416	2.8
137.02321	5.2
143.03436	1.4
143.61530	1.3
146.03654	1.8
149.06032	1.3
151.03880	2.6
152.01022	4.4
161.02368	11.3
161.04466	2.7
161.09653	14.6
163.03902	4.1
163.11153	4.3
173.04445	2.9
176.04016	1.6
177.09099	1.4
179.03426	1.6
179.10703	2.9
189.09143	75.7
190.09494	4.8
191.05502	3.6
191.10733	18.8
205.08661	3.0
207.06593	2.2
207.10214	35.2
207.13910	1.7
208.10509	2.6
221.08279	1.4
231.10173	4.9
249.11266	2.3
258.45416	1.3
277.93219	1.6
285.11328	2.3
311.24399	1.4
351.14502	22.6
351.18469	1.1
367.14575	2.8
369.15521	46.0
370.15775	5.3
411.11728	2.5
411.16571	30.5
412.17105	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1297
Annotation	Paashaanolactone
Peak:m/z	Relative Intensity
52.65113	0.3
54.18951	0.3
54.80974	0.3
55.01756	0.7
57.03311	0.8
58.00464	2.0
59.01253	38.5
60.01584	0.6
67.01783	0.6
69.24992	1.4
69.25416	2.5
71.01254	19.7
72.01603	0.5
72.99181	2.5
73.02826	0.7
75.00709	0.3
79.05420	2.2
80.53699	0.3
83.01246	1.1
83.42583	0.4
85.02825	4.8
87.00745	0.6
89.02316	15.4
93.03323	3.0
95.01268	1.8
98.20551	0.9
101.02319	9.6
101.03347	0.4
105.59766	0.3
107.04905	6.0
113.02324	6.2
119.03381	6.2
120.08315	0.4
122.03586	0.4
129.06952	0.4
131.03348	0.4
131.08597	0.4
135.04379	0.8
137.02388	0.4
143.03381	0.6
143.04924	2.3
144.05727	0.6
149.02365	0.5
150.03160	0.5
157.06503	6.6
158.06819	0.4
159.04404	0.6
159.08044	3.9
160.05170	0.5
160.08565	0.4
160.43236	0.4
161.04491	0.4
169.06525	0.4
175.07556	10.3
176.07907	0.6
177.01862	0.7
177.09152	0.9
185.05995	3.5
187.03943	1.5
187.07562	4.8
188.04704	0.7
188.07867	0.4
189.09158	0.5
191.05566	1.1
201.05487	4.2
203.07077	40.4
204.07455	2.4
205.08618	1.2
213.05571	0.5
219.06645	0.8
231.06583	100.0
232.06926	7.2
233.08148	5.2
234.08401	0.4
411.12939	56.4
412.13315	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.8
65.03819	1.0
67.01746	0.4
69.32092	2.6
69.32528	1.4
71.01256	1.6
77.05135	0.3
85.02824	1.0
93.03339	0.9
100.66908	0.4
101.02348	0.9
103.78339	0.4
105.77486	0.4
108.02083	3.2
109.02841	2.9
109.05804	0.6
109.06489	6.7
113.02333	0.9
119.03277	0.4
119.04934	1.8
121.02847	10.2
122.03637	18.8
123.03988	0.7
127.75697	0.4
133.10136	1.8
134.03700	0.7
136.96971	0.4
149.02339	3.2
150.03136	4.7
159.08096	0.8
161.02362	1.1
161.09583	1.0
161.46832	0.4
163.03906	1.3
165.77713	0.4
177.09138	100.0
178.09468	5.8
190.06464	0.7
191.05617	0.9
203.07104	1.4
205.08652	39.1
206.08997	2.4
206.37199	0.4
221.08139	1.2
249.03839	0.7
333.64700	0.4
411.12930	6.8
412.13681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73506	1.0
59.01248	4.0
61.00890	2.8
62.64923	1.0
68.99685	2.3
69.48745	1.0
70.07644	5.4
71.01258	7.7
72.99186	6.1
73.02808	4.9
75.00757	1.8
75.02468	2.5
76.59857	1.0
83.01277	2.4
85.00900	6.0
85.02831	2.6
87.00742	2.9
89.02325	1.4
95.57352	1.0
99.00751	6.0
99.02479	4.0
101.02320	2.4
103.01985	1.3
111.00713	1.8
112.98719	5.1
113.00401	1.4
114.98355	2.1
115.00258	7.4
115.01981	2.4
117.01846	1.1
124.98730	2.1
129.03564	1.3
131.01501	1.4
142.99768	2.9
143.01472	2.6
145.01353	2.5
147.02794	1.3
157.01347	2.1
161.05962	1.6
165.04002	1.8
171.00999	4.4
173.02530	3.9
187.02377	2.6
191.03654	5.0
199.00360	1.8
205.05197	4.1
231.03137	1.3
233.04727	6.8
236.64941	1.3
263.02350	2.0
263.05786	18.8
352.85654	1.2
379.07056	7.4
393.20782	1.1
411.09543	100.0
412.09836	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76343	0.9
59.01245	3.6
63.18308	1.0
65.99720	3.0
67.01764	3.9
69.03336	1.3
70.38548	3.1
70.38902	1.8
71.01270	2.6
71.35966	1.1
72.99179	48.8
73.02814	1.1
81.03320	1.1
83.04930	1.2
85.02818	9.2
87.00751	9.8
92.18815	1.0
93.03338	23.8
96.36473	1.0
98.02392	1.5
107.04949	1.7
109.02838	3.4
111.04408	3.7
118.05036	1.4
120.04436	1.1
121.02842	4.5
123.04431	2.1
127.03896	2.8
128.93079	0.9
129.01843	1.1
133.02835	2.7
135.04414	25.7
136.04817	1.3
137.02350	6.3
137.06038	1.2
145.02873	1.3
146.06027	1.3
147.03276	2.1
147.04419	8.1
151.03923	3.1
162.05507	11.0
163.03934	1.2
165.05479	7.0
171.02844	1.1
173.02309	4.0
173.04465	19.1
173.05830	1.7
174.02090	1.2
174.05579	7.5
176.03450	2.5
177.01952	1.1
178.02672	1.1
191.05542	100.0
192.02983	1.4
192.05745	4.7
197.49823	1.1
200.03479	4.1
218.00885	1.8
218.04536	16.9
219.02940	3.2
219.04839	1.2
236.05608	44.1
237.06041	1.7
247.04681	2.1
272.07761	2.9
280.62985	1.0
392.09772	4.3
410.10959	27.2
411.11118	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83731	2.2
59.01249	20.4
65.99697	3.8
69.65243	16.7
71.01255	11.5
72.99185	64.4
73.11555	2.0
73.59760	2.1
83.04896	3.4
85.02837	8.7
87.00717	3.0
93.03337	26.7
101.02365	2.8
107.04947	3.6
108.13362	2.4
109.02850	5.2
111.04397	5.9
119.04931	3.0
121.02819	3.7
123.04475	3.3
131.78569	2.2
133.02864	4.0
135.04401	28.9
137.02365	6.5
147.04391	15.1
148.03931	6.6
150.05534	12.6
151.03923	5.8
155.03418	2.8
161.04530	2.6
162.05505	13.7
165.05492	10.1
168.73917	2.4
168.85448	3.0
173.04483	100.0
174.05542	27.5
177.01715	2.8
177.09175	7.0
191.05522	43.4
192.02924	9.7
192.06691	14.4
205.08760	4.2
205.14973	2.4
218.00940	2.5
218.04538	13.7
236.05605	79.2
251.03329	3.2
296.98743	2.5
308.29675	2.4
337.88669	2.4
410.10852	3.5
422.77054	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	4.9
57.03300	1.2
59.01258	4.6
61.98708	4.0
62.53717	0.7
67.85354	0.7
69.87175	3.6
69.87582	1.7
70.21284	0.8
71.01253	2.8
71.04904	4.5
72.05293	0.8
73.02821	12.0
75.00755	1.1
81.36810	0.8
85.02817	1.3
87.04401	2.7
95.04914	0.8
96.95888	1.1
97.02825	1.0
97.06480	2.4
99.00758	100.0
99.92466	2.7
100.01070	1.8
115.91966	2.5
116.92766	3.9
117.01002	1.5
117.01827	26.2
118.89960	0.7
121.10123	2.4
125.09609	2.9
137.09622	6.6
152.99495	0.9
171.10191	15.2
172.74176	0.7
185.11818	4.0
187.13432	0.8
193.08334	1.2
196.49368	0.8
219.13829	1.0
235.16891	1.0
246.47116	0.7
251.16522	7.9
252.16853	1.3
291.19678	27.1
292.19931	2.2
304.98163	0.8
309.20706	63.7
310.21085	6.8
327.21725	1.4
349.19623	0.8
356.41556	0.7
409.13092	1.9
409.22095	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.5
57.03318	1.1
57.62935	0.7
59.01265	4.7
61.98701	5.6
67.51450	0.8
69.54011	4.5
70.34435	0.7
71.01250	3.0
71.04900	5.7
73.02818	11.2
78.95778	1.8
83.04883	1.4
92.15984	0.7
93.03310	1.0
96.95883	0.8
97.06429	1.7
99.00759	100.0
100.01083	1.7
107.04899	0.9
117.01827	26.0
121.10133	2.4
125.09592	2.2
135.04417	0.8
136.71750	0.7
137.09595	7.3
152.99435	1.5
171.10185	17.1
173.04410	0.9
185.11755	3.7
193.08362	2.5
195.64586	0.7
207.13846	1.0
211.13345	1.0
237.14958	1.0
251.16528	10.8
291.19675	31.3
292.20013	2.8
309.20703	67.3
310.21027	7.2
327.21777	3.1
340.66821	0.9
409.22305	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47247	0.7
52.24318	0.8
55.01762	4.4
57.03325	0.9
58.43975	0.7
59.01255	4.6
61.92463	0.8
61.98709	3.2
69.03329	6.4
70.86948	1.9
70.87271	0.8
71.01258	3.1
73.02820	5.5
75.00739	1.1
78.95766	1.1
83.04903	1.1
86.12675	0.9
86.25273	0.8
92.24430	0.8
96.95882	1.2
99.00759	83.2
99.92456	5.9
100.01103	1.4
108.05695	1.5
115.91961	11.4
116.92722	6.5
117.01838	12.2
119.08540	8.9
125.09686	1.4
135.08044	3.3
137.09618	39.7
138.09958	1.4
152.99532	0.9
153.09105	1.2
161.09604	0.8
171.10190	100.0
172.10541	4.2
201.11235	5.5
273.18695	2.1
291.19635	9.5
309.20709	52.1
310.21063	6.0
322.04895	1.1
409.12915	1.7
409.22675	1.1
414.13336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15260	0.6
55.01760	1.5
57.03327	1.7
57.11664	0.6
59.01257	3.1
61.98708	6.2
63.12570	0.6
70.35693	3.0
71.01267	1.9
73.02815	7.6
73.13680	0.6
74.94324	0.6
75.00743	2.4
75.76914	0.7
78.95780	1.5
79.95642	0.8
83.04932	0.8
83.70995	0.7
88.35123	0.6
96.95865	1.2
97.06463	1.0
99.00756	39.2
99.92455	7.1
100.01123	0.8
107.87406	0.7
115.91972	5.9
116.25943	0.6
116.92735	8.2
117.01828	11.4
123.08017	1.7
125.09629	3.9
137.02325	0.8
137.09624	1.4
139.11217	2.7
141.09116	1.5
151.07605	0.9
152.99567	0.6
153.09114	1.7
155.10669	1.3
171.10211	4.4
179.90706	0.6
183.13789	0.8
185.11787	1.0
199.09695	3.7
200.10449	2.3
201.11295	3.6
213.11174	0.8
221.08377	1.0
227.06041	1.3
247.20671	3.5
265.21692	1.1
269.07098	5.3
273.18652	1.5
281.21008	1.1
291.19626	8.9
292.19791	1.0
309.10281	2.0
309.20706	100.0
310.21008	9.4
311.22202	2.8
315.06503	0.7
347.22244	1.6
373.11075	2.3
391.12396	1.1
391.21246	0.9
403.83749	0.7
409.12903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70468	1.1
59.01254	100.0
60.01581	1.5
71.01262	6.8
72.99170	1.2
73.02821	2.9
73.38120	0.9
74.49834	1.1
83.01268	1.1
85.02831	5.9
87.00749	2.5
89.02328	1.3
90.19170	0.9
93.03343	8.0
95.01278	1.1
101.02344	4.2
108.02070	1.4
109.02830	4.3
111.04422	1.4
111.85137	1.0
113.02324	2.2
121.02823	1.3
123.04396	0.9
135.04446	7.6
137.02362	1.2
146.03673	1.9
147.04500	1.5
149.02490	1.1
152.01201	1.1
153.01917	1.1
159.04433	1.5
161.02382	1.2
161.04482	1.8
173.04472	8.2
173.05846	1.6
177.21613	1.0
179.03467	1.1
187.07587	1.5
189.05490	1.4
191.03801	1.0
191.05559	22.0
205.05145	1.1
205.12045	1.1
213.05489	1.7
215.07201	1.1
229.01395	1.1
229.08694	2.0
243.10565	1.1
247.09747	1.8
267.06522	1.4
293.04572	1.0
307.17569	4.8
313.34824	0.9
347.13425	1.1
349.18549	1.6
365.13867	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93193	0.9
54.12893	1.0
55.01787	1.0
55.08663	1.1
56.45248	1.0
57.03312	2.0
59.01250	100.0
60.01601	1.4
70.90730	2.5
70.91101	1.2
71.01250	27.9
72.99166	2.5
73.02821	7.7
81.03333	1.2
83.01241	2.9
85.02822	9.6
87.00743	2.1
87.04441	1.5
89.01792	0.8
89.02319	22.1
93.03358	2.4
95.01273	3.0
99.00765	2.7
101.02316	22.2
109.02804	1.5
111.04350	1.1
113.02328	14.5
119.03419	8.0
123.08061	2.3
125.02319	1.1
131.03305	1.0
135.48721	1.1
136.94189	1.0
137.02312	3.5
141.09102	1.4
143.03412	2.6
149.04523	1.2
159.02805	2.6
161.04465	10.4
165.01846	15.9
173.04485	2.3
179.03377	6.2
179.05577	6.1
180.04195	8.1
183.06590	1.6
185.08124	1.5
191.05540	8.2
195.06520	10.9
205.08714	1.7
210.05420	1.7
225.07661	8.8
226.07895	1.3
233.42538	1.1
256.72983	1.4
301.08423	1.1
305.16055	17.4
331.17627	2.9
346.10437	1.2
349.18655	13.5
350.18854	1.3
361.12936	5.4
391.19562	1.5
409.20929	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01584	1.3
60.76330	0.6
69.33216	4.4
69.33643	1.9
71.01258	1.1
72.93081	0.5
73.02812	1.0
85.02829	1.3
89.33136	0.6
93.03356	1.1
101.02326	1.4
107.74165	0.6
113.02405	0.7
119.06512	0.6
161.04550	0.8
173.04495	1.2
186.06801	0.7
191.05620	1.7
202.99686	0.8
204.07869	7.5
205.08632	3.2
230.01009	1.0
247.01273	0.9
307.17679	0.7
409.27469	1.4
410.07138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01587	1.3
64.05490	0.4
71.01270	2.7
73.02837	0.8
85.02844	1.3
93.03354	0.8
98.20615	0.8
101.02359	1.5
101.93893	0.4
109.02871	0.5
111.00743	0.4
113.02369	1.2
128.91414	0.4
134.30646	0.4
135.04488	1.0
161.04492	1.0
173.04539	1.1
188.80823	0.4
191.05544	3.0
191.07101	0.4
194.90273	0.4
198.51874	0.4
289.16626	0.6
307.17636	4.2
349.18811	1.5
424.67230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71141	1.0
58.10359	1.1
59.01253	100.0
69.74037	7.7
71.01254	22.3
72.99171	2.7
73.02829	3.5
75.00731	2.3
83.01252	2.2
85.02837	6.9
85.03276	1.4
87.00758	3.7
89.02317	26.4
93.03320	2.2
95.01273	1.3
98.20496	2.3
101.02341	14.0
104.15685	1.0
111.00754	1.2
113.02332	9.1
119.03386	10.4
124.83801	1.1
125.02347	1.9
131.03307	1.3
136.75987	1.1
143.03340	1.4
161.04521	7.0
165.01895	2.1
170.16689	1.3
173.04460	2.8
179.05553	8.2
189.72853	1.2
191.03944	1.1
191.05484	7.3
195.06555	1.3
205.14279	1.4
222.23868	1.2
223.10017	1.2
349.18573	6.6
367.19727	3.9
409.12378	1.8
409.21213	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00990	1.4
54.55410	1.6
59.01252	100.0
71.01247	13.0
71.28242	2.2
71.28583	2.8
73.02824	3.6
85.02839	4.0
89.02319	6.7
101.02340	10.6
102.15966	1.6
113.02332	6.1
114.79346	1.7
119.03394	3.2
149.45784	1.6
152.09827	1.5
161.04492	12.8
179.05557	3.6
191.64473	1.9
201.99603	1.7
235.88307	1.8
349.14706	3.1
349.18671	39.7
350.18854	4.5
393.17758	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33252	1.4
59.01250	58.8
67.01743	1.7
69.03300	1.4
69.66618	5.9
69.67022	3.3
71.01258	15.0
72.99173	2.4
73.02811	4.2
75.00771	2.2
78.25308	1.1
82.13216	1.2
83.01229	1.7
85.02824	9.0
87.00745	2.4
89.02321	11.8
93.03315	3.4
97.02766	1.5
101.02309	11.5
109.02824	2.8
112.77484	1.2
113.02338	6.9
119.03387	3.5
125.02295	1.3
135.00789	2.1
135.04376	2.7
136.01547	2.3
137.02347	20.4
137.05933	1.9
143.03404	1.6
150.03239	1.4
151.00198	1.5
151.03836	1.3
153.01814	2.7
159.04411	1.3
161.04631	2.4
164.01051	4.5
165.01842	100.0
166.02127	4.5
168.04211	4.1
169.04985	3.4
173.04442	4.8
175.07503	5.8
179.03424	40.8
179.05241	2.5
180.04193	60.3
181.04779	2.7
183.06555	10.3
191.05548	11.6
194.05771	8.5
195.02873	2.6
195.06541	87.1
196.06874	4.1
205.08623	2.9
210.05260	15.9
212.22028	1.4
225.07626	56.6
226.07915	5.4
289.11023	2.0
303.08603	2.5
305.16174	2.3
313.08020	1.3
315.08875	2.9
331.08170	14.2
331.17694	2.8
333.09836	1.4
346.10480	10.2
347.11200	1.3
349.18420	1.6
361.12900	47.8
362.13217	4.9
373.18549	1.4
391.19919	1.4
409.20807	29.8
409.25497	2.8
410.21194	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27195	1.7
59.01247	7.2
64.39720	1.7
65.64365	1.7
71.01252	1.9
71.35280	4.6
78.95774	5.8
96.95872	2.6
121.02847	100.0
122.03175	2.9
123.40586	1.9
174.38286	1.7
183.13768	1.8
223.04326	2.0
229.05164	1.9
285.03943	2.9
366.19119	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
59.45351	0.1
65.03839	0.5
67.01751	0.4
68.99693	0.2
71.01247	0.5
71.58352	0.2
73.02822	0.3
78.95777	0.2
80.02548	0.5
85.02821	0.2
87.00760	0.1
89.02277	0.1
90.68679	0.1
93.03335	1.1
96.95910	0.3
99.00727	0.2
101.02327	0.3
106.04128	0.4
108.02055	6.1
109.02843	7.5
109.06484	0.1
110.03166	0.3
110.96508	0.1
113.02302	0.1
117.95049	0.1
121.02840	4.8
122.03676	0.3
131.08511	0.1
133.02898	0.7
133.06456	0.2
133.10095	0.8
134.03653	1.6
135.04410	0.5
135.08052	1.2
136.01559	0.3
137.02322	0.5
146.03613	0.3
146.07274	0.3
147.04463	0.2
149.02324	1.0
150.03146	3.5
159.04305	0.1
159.08066	0.6
161.02376	1.7
161.06015	0.4
161.09636	2.0
161.32115	0.1
162.06680	0.2
168.69574	0.1
175.07552	2.0
177.01855	0.2
177.09128	15.9
178.02708	0.1
178.09486	0.9
182.02127	2.6
187.11169	0.2
189.05418	0.2
189.09172	0.3
190.06314	0.4
191.05577	0.3
201.09195	0.6
203.07097	1.0
203.10675	0.2
204.07684	0.2
205.08640	100.0
206.08974	7.2
216.76634	0.1
217.08652	0.2
219.10196	0.5
221.08142	0.3
229.08670	0.8
246.29272	0.1
247.09717	2.2
267.06647	0.2
268.07071	0.1
365.13626	0.2
367.13660	0.2
409.15015	17.1
410.15381	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.3
59.85567	0.7
61.98706	5.2
65.80398	0.8
73.02825	1.6
78.95775	3.1
79.95612	1.0
84.93713	0.8
93.03378	1.1
96.95860	1.5
97.76599	0.8
99.00749	2.2
99.92457	86.0
100.90350	0.9
100.92466	4.6
100.93240	3.1
115.91958	91.3
116.92014	5.5
116.92740	100.0
117.01793	1.2
117.92747	4.2
125.09666	0.8
132.92242	0.9
135.08054	1.5
152.99474	3.0
171.10155	1.0
181.34560	0.8
206.14752	0.9
208.95300	1.0
221.08356	1.4
245.92427	1.0
255.03316	4.7
265.01749	1.7
267.03226	2.1
281.04800	2.9
287.02240	3.6
300.07770	1.0
301.04770	1.3
304.04120	1.3
309.20648	1.8
322.05151	8.8
336.02881	1.0
361.11084	2.4
373.11102	25.2
374.11353	4.8
377.10416	1.5
387.08899	5.2
388.09769	0.9
391.12189	14.8
392.12308	1.8
405.10269	6.8
406.10410	1.5
409.13202	13.8
409.25351	1.4
410.13608	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35171	0.7
55.93067	0.6
58.66617	0.6
59.01260	1.0
61.98702	3.8
65.00182	0.6
69.03319	0.7
71.01263	0.9
71.57549	0.8
75.90229	0.7
78.95772	1.2
82.95287	2.7
96.95897	2.2
97.02839	5.3
99.92464	79.6
100.90347	1.3
100.92485	4.2
100.93200	1.8
107.48541	0.7
108.83385	0.7
115.91965	59.0
116.92747	100.0
117.92761	4.0
117.93494	0.8
125.09641	0.7
131.73381	0.8
137.09637	0.8
156.92227	3.3
165.09087	1.5
171.10214	2.2
173.02332	1.8
192.36816	0.7
230.74300	0.8
241.01697	3.4
243.03256	2.3
245.01184	3.1
248.01468	1.0
266.02432	2.4
295.09659	0.8
309.20706	1.6
373.11124	2.1
387.09149	1.1
391.12143	6.2
392.12473	1.2
409.04181	12.7
409.13141	24.7
410.03964	2.5
410.13281	4.0
423.01620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37702	0.7
59.01234	1.3
61.98695	1.2
65.93822	0.6
84.93740	1.1
96.95872	1.0
99.92461	71.7
100.90296	1.0
100.92583	4.6
100.93150	4.8
115.91962	83.2
116.92008	6.1
116.92742	100.0
117.92744	6.2
117.93486	1.2
135.08044	1.3
152.99486	1.5
156.92230	2.5
171.10268	0.7
216.98044	0.9
217.63734	0.8
221.11702	0.7
224.01306	0.8
225.02127	2.8
254.02655	0.7
255.03351	1.5
273.00912	0.7
287.02225	2.6
318.05521	0.8
344.07135	1.5
363.30347	0.7
373.11136	23.5
374.11426	5.4
387.09003	3.5
391.12244	5.1
405.10016	1.0
409.07852	1.2
409.13187	25.9
409.21597	1.2
410.13565	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.7
61.98703	3.1
62.18793	0.7
64.21721	0.6
67.01758	3.8
67.38117	0.6
71.18937	1.7
73.91846	0.6
78.95754	0.6
91.05404	2.4
93.03358	1.0
95.21889	0.6
96.95865	1.3
99.31493	0.7
99.92464	71.0
100.92474	4.1
100.93243	2.5
104.22648	0.7
106.98913	0.6
107.04903	1.0
109.02850	3.9
115.91963	74.8
116.92027	5.3
116.92744	100.0
117.92753	6.3
117.93491	1.1
121.02856	0.8
122.03634	1.9
123.04379	2.2
125.09609	0.9
133.02840	2.3
134.03636	3.0
135.04419	20.4
147.04361	2.0
149.05986	0.8
151.07547	0.9
153.05438	0.9
155.08588	3.1
156.92223	1.6
161.05946	1.4
171.10165	1.8
191.05513	1.0
192.03175	0.7
197.06062	0.9
199.07567	7.7
211.07582	4.2
230.99611	1.3
237.09148	0.9
251.10855	0.8
255.10275	1.0
261.09320	1.1
263.10794	1.0
268.07446	0.8
277.12350	0.7
289.18167	0.9
291.19629	0.9
303.07098	1.2
303.13962	1.4
329.05090	0.8
329.11804	2.3
333.07932	2.5
335.12994	2.1
347.05826	1.8
347.12903	23.8
348.13162	3.0
355.39786	0.7
362.08313	0.9
365.13947	19.2
366.14273	1.9
369.08041	1.4
373.11154	7.8
373.16043	1.4
374.11588	2.4
387.09183	4.6
391.12173	6.4
391.22440	0.8
392.12225	1.5
405.10254	1.6
409.13214	35.9
409.23563	3.0
410.13422	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.7
61.98703	3.1
62.18793	0.7
64.21721	0.6
67.01758	3.8
67.38117	0.6
71.18937	1.7
73.91846	0.6
78.95754	0.6
91.05404	2.4
93.03358	1.0
95.21889	0.6
96.95865	1.3
99.31493	0.7
99.92464	71.0
100.92474	4.1
100.93243	2.5
104.22648	0.7
106.98913	0.6
107.04903	1.0
109.02850	3.9
115.91963	74.8
116.92027	5.3
116.92744	100.0
117.92753	6.3
117.93491	1.1
121.02856	0.8
122.03634	1.9
123.04379	2.2
125.09609	0.9
133.02840	2.3
134.03636	3.0
135.04419	20.4
147.04361	2.0
149.05986	0.8
151.07547	0.9
153.05438	0.9
155.08588	3.1
156.92223	1.6
161.05946	1.4
171.10165	1.8
191.05513	1.0
192.03175	0.7
197.06062	0.9
199.07567	7.7
211.07582	4.2
230.99611	1.3
237.09148	0.9
251.10855	0.8
255.10275	1.0
261.09320	1.1
263.10794	1.0
268.07446	0.8
277.12350	0.7
289.18167	0.9
291.19629	0.9
303.07098	1.2
303.13962	1.4
329.05090	0.8
329.11804	2.3
333.07932	2.5
335.12994	2.1
347.05826	1.8
347.12903	23.8
348.13162	3.0
355.39786	0.7
362.08313	0.9
365.13947	19.2
366.14273	1.9
369.08041	1.4
373.11154	7.8
373.16043	1.4
374.11588	2.4
387.09183	4.6
391.12173	6.4
391.22440	0.8
392.12225	1.5
405.10254	1.6
409.13214	35.9
409.23563	3.0
410.13422	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50494	1.7
57.03329	5.2
59.01253	11.4
65.84987	1.6
72.00374	1.8
76.64706	1.6
78.95768	22.8
80.02571	2.0
81.03333	2.8
82.33293	1.9
92.81075	1.6
96.95889	13.6
96.96859	2.3
97.02847	1.9
107.04839	1.9
110.03671	1.7
110.98453	4.0
111.08064	2.5
121.06511	4.5
123.04424	10.6
123.08025	16.7
125.09648	8.0
137.09659	4.5
139.11165	12.0
140.11575	2.3
142.02649	4.9
149.09676	3.4
151.11179	5.8
152.99503	28.4
153.09106	2.3
155.14323	5.2
156.09169	1.9
159.08287	1.7
163.93428	1.6
167.01088	1.8
171.00537	2.4
171.10149	3.8
177.12782	3.4
183.10172	1.9
185.02161	6.7
199.13333	32.5
200.13654	3.2
201.11295	11.8
213.11290	12.3
217.15958	2.1
221.11864	3.8
239.20117	24.6
240.20526	3.1
245.19101	15.9
271.17093	5.3
289.18091	100.0
290.18442	8.0
307.19147	86.4
308.19550	9.0
323.18518	3.7
324.19427	18.7
325.20038	5.7
337.85474	1.9
390.05484	1.7
407.28159	42.0
408.28366	6.2
421.06290	1.9
429.22546	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.8
61.98712	34.8
69.03334	6.6
69.86192	22.9
71.01254	85.0
75.00745	7.1
84.02036	16.2
93.05963	4.1
95.01241	5.4
95.04890	7.6
96.95889	10.9
97.02824	5.9
99.00768	12.9
99.92468	14.0
109.06446	3.9
110.03613	5.1
111.07984	4.3
115.00259	100.0
115.91955	35.1
116.92722	16.5
123.08047	3.6
125.09602	5.7
135.08011	3.6
137.09586	9.6
139.11165	5.0
171.10146	10.3
179.10643	4.5
215.18298	4.0
231.95341	4.1
239.12891	3.8
245.11011	4.3
245.19022	4.5
249.14865	10.9
267.15918	9.1
269.07077	4.6
283.08591	7.4
289.18137	5.9
291.19717	20.8
298.07288	10.8
299.07770	4.8
300.07913	5.3
307.19186	22.5
309.20688	14.7
319.22775	18.4
325.23016	4.1
350.50632	4.3
363.21820	10.2
389.16232	5.6
407.20795	28.0
407.25385	4.3
408.20950	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	2.2
57.03310	3.1
58.00460	3.5
59.01251	39.0
69.03324	2.2
70.15705	11.3
71.01255	14.5
71.04898	2.6
71.22340	2.3
75.00739	3.9
78.95751	2.8
80.02544	3.0
83.04907	3.0
84.02029	4.0
90.47902	2.3
96.95889	7.4
98.20478	2.2
99.92439	2.9
109.06489	4.7
111.08039	37.1
113.08665	2.1
113.99439	2.3
115.91959	2.6
116.59355	1.9
116.92751	2.2
117.00285	2.3
117.84210	1.9
123.04377	4.0
123.08050	8.7
125.09588	9.2
127.11156	4.6
128.32613	2.1
135.04434	2.3
135.08031	7.1
135.11279	1.9
136.57980	2.1
141.09074	3.0
144.12086	2.4
147.04420	3.9
151.11172	5.3
153.09135	12.5
155.10620	5.1
165.08940	3.4
167.10657	7.4
171.10181	45.3
181.08386	2.5
183.10066	3.4
185.11774	21.1
189.09140	9.9
191.06935	3.3
193.08394	90.5
193.12172	2.7
194.08783	5.6
195.10257	3.0
197.11748	12.4
201.11261	26.5
207.10023	13.7
208.64615	2.3
209.07889	5.4
211.08046	3.6
213.11211	6.3
217.08405	3.5
219.09972	100.0
220.10320	4.8
223.09486	10.4
223.11626	3.7
225.09772	4.3
235.09572	24.7
237.11028	5.0
247.09251	2.6
252.09869	5.1
253.09242	6.0
267.10837	8.3
283.13931	3.7
289.18011	6.8
292.47141	2.7
301.17834	3.5
303.44244	2.4
307.19336	2.4
309.11847	2.7
311.16293	2.6
320.41357	1.9
325.20160	62.0
326.20444	4.1
329.17386	5.9
347.12360	2.7
347.18207	6.3
407.13641	7.0
407.19754	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49733	2.9
54.95096	3.4
57.03329	6.1
58.00464	3.2
59.01254	28.7
63.19277	2.6
66.01381	2.8
71.01261	7.0
71.58447	4.6
74.19035	2.5
78.95785	4.2
79.95590	3.9
80.63788	2.6
80.91545	9.3
83.01247	8.5
84.91339	3.1
96.95879	9.3
97.06513	3.4
99.92455	14.9
109.02821	5.0
109.07602	3.0
111.08025	14.7
113.02322	3.5
115.91931	8.9
116.92741	3.3
117.52110	2.9
123.04407	11.8
125.09619	31.0
127.11189	10.2
135.08078	3.9
137.09607	12.4
141.09113	5.8
151.03891	2.9
151.11169	3.5
153.09164	6.1
155.10672	3.8
164.08475	4.2
165.09019	5.8
171.08955	2.7
171.10153	18.5
181.08369	6.8
183.10085	4.9
191.06856	4.5
193.08385	20.9
195.10155	7.0
201.09550	5.0
201.11267	63.5
207.10069	6.1
209.07895	15.8
213.11279	43.8
223.09462	100.0
224.58391	2.8
226.26851	2.7
227.08961	4.0
231.10007	5.7
235.09457	44.0
241.09268	14.9
260.10281	23.9
278.11389	43.9
289.18103	12.7
298.46219	3.1
300.02814	4.0
303.87430	2.8
307.19183	34.4
311.16336	6.0
317.17188	5.3
325.16614	5.3
325.20215	68.2
326.20444	6.4
329.17346	71.1
330.17508	4.8
338.12256	3.0
347.18286	20.0
376.19345	3.4
398.25464	3.1
403.08713	4.7
407.17062	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09344	0.4
54.89684	0.4
59.01251	100.0
60.01588	1.1
68.99689	0.9
69.28709	3.1
69.29120	1.1
71.01255	1.6
73.02821	0.9
85.02821	1.2
89.02324	0.7
93.03335	0.9
98.19821	0.6
101.02325	4.2
105.32069	0.5
119.04928	0.5
135.04462	0.6
163.03896	0.5
171.10222	0.8
173.04491	1.1
191.05615	1.3
305.16251	1.0
336.53015	0.4
347.21024	0.5
350.56195	0.5
351.76703	0.5
407.26453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	2.2
57.03310	3.1
58.00460	3.5
59.01251	39.0
69.03324	2.2
70.15705	11.3
71.01255	14.5
71.04898	2.6
71.22340	2.3
75.00739	3.9
78.95751	2.8
80.02544	3.0
83.04907	3.0
84.02029	4.0
90.47902	2.3
96.95889	7.4
98.20478	2.2
99.92439	2.9
109.06489	4.7
111.08039	37.1
113.08665	2.1
113.99439	2.3
115.91959	2.6
116.59355	1.9
116.92751	2.2
117.00285	2.3
117.84210	1.9
123.04377	4.0
123.08050	8.7
125.09588	9.2
127.11156	4.6
128.32613	2.1
135.04434	2.3
135.08031	7.1
135.11279	1.9
136.57980	2.1
141.09074	3.0
144.12086	2.4
147.04420	3.9
151.11172	5.3
153.09135	12.5
155.10620	5.1
165.08940	3.4
167.10657	7.4
171.10181	45.3
181.08386	2.5
183.10066	3.4
185.11774	21.1
189.09140	9.9
191.06935	3.3
193.08394	90.5
193.12172	2.7
194.08783	5.6
195.10257	3.0
197.11748	12.4
201.11261	26.5
207.10023	13.7
208.64615	2.3
209.07889	5.4
211.08046	3.6
213.11211	6.3
217.08405	3.5
219.09972	100.0
220.10320	4.8
223.09486	10.4
223.11626	3.7
225.09772	4.3
235.09572	24.7
237.11028	5.0
247.09251	2.6
252.09869	5.1
253.09242	6.0
267.10837	8.3
283.13931	3.7
289.18011	6.8
292.47141	2.7
301.17834	3.5
303.44244	2.4
307.19336	2.4
309.11847	2.7
311.16293	2.6
320.41357	1.9
325.20160	62.0
326.20444	4.1
329.17386	5.9
347.12360	2.7
347.18207	6.3
407.13641	7.0
407.19754	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.01252	100.0
60.01588	0.7
62.86914	0.5
69.51204	5.6
71.01247	5.1
73.02825	2.7
80.05404	0.6
85.02847	2.3
86.96535	0.6
87.00770	0.9
89.02342	1.9
89.68517	0.6
93.03349	0.9
94.02218	0.6
98.77426	0.6
101.02329	4.4
113.02359	1.3
135.04407	0.6
158.06050	0.8
161.04568	1.1
171.10226	2.0
173.04485	0.8
179.03438	1.0
191.05600	2.3
203.12860	1.2
210.01758	0.8
287.10550	1.2
290.96823	0.7
313.08307	1.0
315.06415	2.8
347.17169	1.7
359.15158	0.8
365.18222	1.4
407.19006	4.0
407.26746	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81081	0.4
59.01255	6.0
66.94659	0.4
67.01794	0.4
69.34476	1.7
69.34901	2.3
71.01256	1.2
72.99184	0.5
78.34926	0.4
78.95767	0.6
81.81908	0.4
85.02834	0.8
87.00751	1.2
87.04414	0.5
89.02300	0.5
93.03342	0.9
98.19777	1.0
101.02334	0.9
104.02553	1.1
104.26145	0.4
108.02112	0.7
108.89864	0.5
109.02846	0.5
113.02358	0.6
121.02853	0.5
133.02884	0.7
135.04439	1.3
138.63770	0.4
148.01576	5.7
157.10097	0.5
159.04449	0.9
176.01073	49.3
177.01772	7.0
186.06827	3.0
189.01888	3.0
190.02606	0.9
191.05502	1.5
201.01944	0.5
201.09129	7.1
202.09526	0.6
203.03413	7.6
215.03423	5.8
229.04999	3.7
243.06566	0.7
244.06979	0.4
245.08165	100.0
246.08469	7.3
287.09091	0.5
320.66254	0.5
349.56061	0.5
407.13428	19.9
408.13715	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78035	1.4
55.01752	1.3
57.03318	4.4
59.01250	100.0
60.01590	1.9
69.03342	1.5
71.01254	25.1
72.99189	1.6
73.02821	10.3
74.98984	1.7
75.00737	1.4
82.02854	9.6
83.01273	4.4
83.04916	1.9
85.02818	12.7
87.00762	4.5
89.02322	15.3
93.03337	5.8
95.01277	1.2
96.95869	1.2
99.00752	2.7
101.02328	17.1
107.59100	1.1
111.00753	1.5
111.04427	1.8
113.02321	9.6
119.03377	5.4
121.02806	1.7
125.02361	1.1
133.26733	1.2
135.04376	1.3
154.46858	1.3
159.10204	1.4
160.07582	2.5
161.02408	1.1
161.04538	5.9
162.04277	1.6
162.05481	1.8
164.03423	6.4
171.10208	1.5
173.04539	5.8
174.01877	1.3
174.05501	1.3
179.03351	1.4
186.05550	2.5
188.07127	1.9
189.02934	1.4
189.06622	1.2
191.05588	27.3
192.05911	2.2
196.06206	1.3
201.02962	2.4
202.08684	3.3
203.12811	2.3
215.04509	3.1
216.05338	5.5
216.06909	2.2
216.10175	2.0
217.02518	4.7
217.06206	9.4
218.07069	1.5
219.56253	1.2
223.03877	1.4
224.31342	1.2
228.06747	2.6
229.06056	9.2
230.03235	2.5
230.06851	3.3
231.04037	1.5
231.07698	11.9
232.08424	3.2
241.06058	2.9
242.03244	3.0
243.04099	20.9
243.07759	3.5
244.04816	8.6
244.09932	9.0
245.04652	2.6
245.09430	3.7
248.09245	1.8
249.05365	2.0
256.04904	6.2
257.05621	15.4
258.06393	5.9
259.07205	35.7
259.10742	6.4
260.07455	3.5
267.03064	2.3
269.04596	1.4
269.09402	2.4
271.07248	22.0
272.07767	1.9
285.05515	1.1
285.08710	3.9
287.10364	68.5
288.08542	4.4
288.10983	3.7
289.08881	2.4
291.09866	8.8
303.09692	2.0
313.08298	85.6
314.08591	8.1
317.07809	2.1
331.09351	48.7
331.13342	2.3
332.09711	3.8
335.08939	2.0
345.10788	9.7
347.16971	4.2
363.20187	2.0
365.18124	2.9
375.08328	16.2
389.09885	2.6
407.10861	45.3
407.19119	41.9
407.26700	7.4
408.11026	4.9
408.19327	4.7
416.05331	1.8
417.05975	2.7
434.06616	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28365	1.9
57.03333	3.0
59.01252	88.6
69.69302	15.0
71.01257	16.4
73.02822	7.8
82.02853	9.8
83.01266	5.4
83.04906	2.3
84.02046	1.9
84.39101	1.7
85.02834	7.4
87.00755	2.9
89.02330	7.2
93.03323	1.9
101.02345	12.1
113.02341	5.9
119.03376	3.7
137.02298	2.5
148.76152	2.1
149.04672	2.0
158.79631	2.1
160.07588	2.6
161.04590	3.6
164.03462	7.0
165.01848	1.8
165.93709	1.8
171.10130	4.8
173.04469	4.0
188.07085	4.1
191.05725	10.4
202.08702	4.2
203.12770	3.2
215.04597	2.0
216.05135	4.6
216.06885	3.1
216.10136	2.4
217.02592	6.7
217.06161	8.6
218.06778	2.4
218.47647	2.2
227.12930	3.1
229.05959	9.4
230.06868	3.1
231.07712	12.5
232.08438	4.2
241.06152	2.7
242.03374	4.2
243.04083	19.0
243.07753	5.1
244.04849	11.5
244.09822	13.0
245.09460	4.9
248.09328	3.7
256.04883	6.9
257.05719	14.8
257.09143	3.3
258.06332	8.2
259.07248	44.0
259.10767	5.9
260.07416	2.4
271.07239	26.5
272.07858	3.3
275.18195	1.9
285.08875	5.9
287.10382	79.7
288.08545	7.1
288.11160	4.0
291.09848	10.3
292.10300	2.3
297.01569	1.9
298.06091	2.3
303.10019	3.3
313.08301	100.0
314.08640	9.7
317.07532	2.5
331.09351	55.9
332.09659	5.0
335.08871	3.9
345.10995	7.3
347.17014	11.5
359.14740	2.8
363.12006	2.1
365.18066	7.0
375.08340	16.6
389.10001	4.1
407.10968	47.9
407.19006	25.2
407.26630	4.9
408.11264	5.8
408.19647	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03325	3.7
58.00470	3.2
59.01253	54.9
60.01600	0.9
69.03320	1.7
69.24333	1.1
69.24748	4.2
71.01255	23.2
72.99174	2.3
73.02818	6.1
75.00786	0.5
81.03305	0.7
83.01254	1.9
83.04898	0.5
85.02820	6.2
87.00747	2.1
87.04405	1.7
89.02319	17.6
93.03348	0.9
95.01271	1.3
95.04902	0.7
97.02821	0.7
97.06463	1.8
98.20575	1.0
99.00749	0.8
99.04398	0.6
99.07970	0.5
101.02328	11.1
107.04873	0.8
108.02055	0.9
109.02867	0.5
109.06488	1.6
111.08025	3.0
113.02342	7.8
115.07531	0.5
119.03386	6.8
120.89940	0.4
121.06493	0.7
123.08057	11.5
125.05947	0.6
125.09629	0.7
127.07494	0.6
127.11179	4.6
131.03334	0.9
133.02805	0.5
135.04408	1.0
137.09630	7.3
139.07501	0.9
139.11179	3.2
141.09122	0.5
143.03412	0.7
149.04446	0.5
149.09621	21.7
150.09961	1.2
151.11218	0.8
152.01047	0.8
153.09143	0.7
155.10690	2.5
161.04436	1.4
163.07524	0.8
163.11189	5.7
165.09097	1.1
167.10690	15.0
168.11063	1.4
169.12277	0.8
171.10121	0.7
173.04472	0.9
176.03969	0.8
177.05569	0.5
179.05553	1.0
181.12271	21.8
182.12613	1.4
183.10225	2.2
186.67126	0.5
187.08096	0.4
187.09673	3.1
191.05536	1.7
194.92519	0.5
195.13913	0.5
199.13341	11.0
199.15089	0.9
201.11276	2.8
221.04666	0.5
225.11287	59.2
226.11583	4.1
231.12349	100.0
232.12704	6.9
241.05029	0.5
243.05862	0.7
243.12370	8.0
255.06946	0.5
259.15509	3.3
285.12866	0.9
286.13327	0.6
311.10507	0.6
329.11395	1.9
345.22659	0.8
361.18677	12.2
361.22873	0.9
362.19058	1.1
363.20480	0.7
387.23892	3.3
405.17636	26.4
405.24936	49.5
406.17776	3.7
406.25391	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16296	13.4
59.01247	86.4
59.69749	14.0
59.82881	13.9
63.96624	14.7
69.86971	96.9
72.50988	12.6
82.05032	14.9
88.98696	100.0
89.02327	34.3
96.95884	22.8
101.26553	15.2
119.04909	65.1
130.83009	16.5
152.99496	28.8
155.08565	14.9
171.10179	27.4
221.07996	23.8
253.09692	15.7
315.19299	35.5
323.12802	45.7
329.17368	23.6
403.00049	17.5
405.22589	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	46.2
61.98700	8.0
70.21223	9.1
78.95763	2.1
88.98673	2.2
89.02294	2.3
90.67680	2.0
96.95906	3.1
98.11536	2.4
99.92459	3.5
119.04907	21.0
119.08556	14.2
121.10167	2.7
125.09605	6.6
133.69826	2.3
135.08051	11.4
143.56180	2.1
152.99448	2.9
171.10173	96.4
172.10548	3.0
185.11755	7.0
193.06635	5.0
193.08394	100.0
194.08685	4.6
203.07054	3.7
209.58366	2.0
215.12840	3.7
221.08128	6.4
229.19423	6.4
253.09271	11.0
273.18604	32.2
274.18994	3.8
278.99249	2.6
291.19647	69.7
292.20013	6.8
305.21173	4.4
323.12796	14.2
323.22290	45.1
324.22595	4.7
371.96426	2.5
395.22781	2.4
405.22437	21.9
406.22781	4.3
429.76199	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.6
57.46706	1.3
59.01254	32.1
62.16229	1.5
75.00745	2.4
78.95764	1.9
80.02540	1.8
81.97633	1.3
89.02302	2.0
91.07123	1.4
93.03326	1.9
95.04890	2.5
96.95889	2.6
97.02821	2.1
97.06446	1.9
111.08011	1.6
117.50381	1.5
123.04402	4.7
123.08018	4.2
123.92513	1.6
137.09659	2.4
139.11217	2.7
142.02649	1.5
151.07506	1.7
152.08313	2.0
165.12781	2.0
177.12758	4.8
181.85385	1.4
195.13876	8.2
199.13290	2.0
209.11844	2.1
211.13301	1.9
221.11769	21.9
221.15237	2.6
222.12109	2.7
233.11497	1.5
244.10825	1.8
247.20662	1.5
253.14433	13.3
254.14790	2.0
261.11099	12.5
291.19632	30.5
292.19913	2.5
299.50089	1.5
305.21155	3.0
308.20001	2.3
309.10086	1.8
313.17963	3.0
315.19562	2.1
323.22263	100.0
324.22574	9.0
329.17242	3.5
330.17804	3.1
345.20444	64.4
346.20682	7.1
405.22287	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98212	1.2
57.03321	2.5
59.01250	37.7
61.98714	1.6
69.03315	1.4
69.87918	7.1
71.04885	6.6
78.95785	3.5
93.03342	2.5
93.06963	2.0
96.95909	1.4
97.06464	3.9
119.08543	4.7
121.10133	14.5
123.08031	1.6
125.09615	10.6
131.67233	1.2
137.09618	14.3
141.08916	1.4
141.12721	2.1
147.08037	2.2
149.09633	7.2
165.12709	1.6
171.10190	17.0
185.11758	18.1
197.11700	3.4
207.09961	5.2
207.13870	1.4
209.11761	2.8
211.13467	2.0
217.15923	2.9
245.19139	7.6
247.20602	1.8
273.18536	4.5
291.19662	59.9
292.19955	6.4
295.16797	2.1
305.21255	26.0
306.21564	3.8
313.17853	86.6
314.18109	9.3
323.22260	100.0
324.22577	10.5
331.17871	2.0
345.20428	3.8
373.18704	7.6
374.18912	2.4
405.22269	27.1
406.22345	3.5
406.27411	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
52.32377	1.0
53.38609	0.8
55.01764	1.4
57.03329	5.7
58.00468	4.5
59.01251	100.0
60.01574	1.2
60.74829	0.9
69.42106	9.1
71.01254	73.0
72.01598	1.2
72.99186	7.8
73.02819	6.8
75.00756	1.3
81.03330	1.2
83.01265	3.6
85.02831	13.8
87.00742	3.4
89.02319	79.6
90.02666	1.0
93.03336	1.9
95.01294	5.3
97.02887	1.2
99.00761	2.4
101.02324	42.0
102.02656	0.9
109.02851	1.0
113.02332	28.1
119.03394	33.6
119.04251	1.6
123.08009	1.0
125.06006	1.8
126.35323	0.9
130.39514	0.8
131.03442	3.2
137.02325	1.2
139.00246	1.0
143.03386	5.0
149.04472	1.9
159.02890	2.4
160.04054	1.0
161.04472	12.4
167.10715	1.7
173.04474	3.8
179.05518	9.3
183.10197	3.5
188.03484	1.1
191.05513	2.6
217.97221	0.9
243.06642	1.6
243.15903	1.6
256.84598	0.9
271.08420	3.7
276.18506	1.0
325.16544	1.0
337.50708	1.0
405.16779	1.6
405.21689	10.9
406.21579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01761	1.3
57.03328	10.8
58.00480	3.9
59.01254	100.0
60.01607	1.0
69.43358	0.5
69.53134	5.2
71.01257	60.2
71.04890	0.8
72.99187	5.1
73.02825	4.1
74.02380	1.3
75.00773	0.9
83.01274	3.6
83.04916	1.2
85.02826	14.4
87.00751	4.2
89.02322	64.0
90.02661	1.1
91.98450	0.6
93.03354	0.7
95.01275	4.1
97.02840	1.0
97.06517	0.9
98.20530	1.5
99.00781	1.4
99.05486	0.9
99.69953	0.6
101.02328	39.8
109.02865	0.9
113.02338	24.1
114.02750	0.8
119.03397	30.6
120.12950	0.6
120.75603	0.6
123.08080	2.6
125.02368	1.1
125.06013	2.7
128.03442	3.3
129.01865	0.8
129.03761	0.6
131.03415	2.3
143.03418	3.8
143.04565	5.3
144.04901	0.8
149.04456	1.7
149.09615	0.9
153.01942	0.7
158.61157	0.6
159.02951	1.0
161.04469	10.2
165.01944	1.0
167.10693	4.9
179.05586	8.0
183.10176	0.9
191.05621	1.4
195.06583	0.7
198.06485	0.8
199.07585	0.7
207.13869	1.0
241.05128	1.2
243.05852	1.4
243.15987	9.8
243.18243	0.7
244.16458	0.7
254.07915	1.3
272.08926	0.9
273.09070	0.7
281.17233	0.7
306.07663	0.7
307.07980	1.9
314.54514	0.6
345.15689	1.0
353.14462	0.9
363.16577	0.9
405.21457	26.8
406.17038	0.9
406.21851	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01762	2.1
57.03327	15.9
58.00469	4.5
59.01251	100.0
60.01593	1.2
68.99670	1.1
69.03338	0.9
69.79056	4.2
71.01255	78.9
72.01598	1.7
72.99175	7.0
73.02823	5.7
73.99611	0.6
75.00760	0.7
83.01277	2.8
83.04911	2.1
83.90603	0.6
85.02824	17.2
86.34386	0.7
87.00750	3.5
87.04422	1.0
89.02319	83.7
90.02679	1.0
91.01757	0.7
95.01261	4.7
97.02821	0.9
97.06474	0.9
99.00777	1.6
99.04408	0.8
101.02322	38.5
112.05214	2.6
112.16933	0.6
113.02331	29.5
115.03916	0.7
119.03387	30.4
120.05685	0.8
125.02383	1.1
125.05996	1.2
131.03424	3.7
133.06383	0.8
134.07265	4.4
135.00761	1.1
135.08055	3.5
137.02292	1.3
137.06068	0.8
137.09627	3.9
139.07536	6.3
139.11237	1.2
143.03416	4.3
149.04472	2.2
149.09625	50.2
150.09995	2.3
153.01825	1.3
153.09119	28.6
154.09515	1.5
159.02866	1.3
159.14325	0.6
161.04478	8.8
165.01831	0.8
167.10689	78.7
168.11060	3.9
169.34828	0.7
171.10236	1.0
173.04489	0.8
179.03561	0.8
179.03957	1.0
179.05540	8.1
188.20436	0.7
191.05605	1.9
204.06305	0.8
207.13831	1.4
209.11833	3.4
225.14946	4.3
243.06659	1.9
243.16008	16.6
244.16454	1.9
264.34174	0.7
381.06897	0.7
405.12943	0.8
405.17560	2.6
405.21539	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
56.29618	0.6
57.03325	10.2
57.12732	0.5
58.00462	3.6
59.01249	100.0
60.01581	1.6
69.03314	0.7
69.48598	5.1
71.01253	55.2
72.01604	0.8
72.99171	4.8
73.02815	4.7
83.01246	3.2
83.04887	0.9
85.02828	10.1
85.55968	0.6
87.00734	3.8
87.04389	0.6
88.27484	0.7
89.02314	61.7
90.02667	1.0
91.73169	0.6
93.03357	1.2
93.40823	0.5
95.01270	2.5
97.02811	1.2
98.20604	0.7
99.00752	1.3
101.02319	25.3
102.02668	0.9
109.02853	0.9
112.05193	1.8
113.01534	1.2
113.02327	20.4
119.03387	22.5
122.03538	0.6
125.02385	1.0
125.09676	0.7
131.03407	2.3
134.07297	2.8
135.04445	0.8
137.02377	0.9
137.09627	2.1
141.05377	0.7
143.03368	3.3
145.19733	0.6
149.04489	2.0
149.09621	27.9
150.10004	1.3
161.04457	4.3
165.01898	2.2
167.10687	47.3
168.11052	2.2
173.04533	0.8
179.03481	1.3
179.05556	6.4
180.04182	1.3
183.10158	1.3
187.03960	0.7
191.05521	3.4
195.06587	1.2
199.07666	0.8
207.13893	1.8
209.92784	0.8
225.15022	2.9
231.02881	1.9
243.06651	2.5
243.15991	1.9
243.37730	0.6
279.54520	0.6
293.51871	0.6
327.08731	1.7
342.10861	0.8
345.15588	1.1
357.13629	2.2
363.16724	1.5
405.08511	1.5
405.16837	5.1
405.21625	2.9
423.31738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.2
57.03317	5.8
58.00459	2.7
59.01254	100.0
61.90650	1.3
63.71665	1.2
69.03286	1.2
70.91590	1.9
70.91935	2.6
71.01255	43.2
72.99184	4.7
73.02822	36.9
75.00745	2.9
83.01270	4.5
83.04902	1.6
84.01460	1.2
85.02817	11.0
85.46732	1.2
87.00755	4.9
87.04394	3.8
89.02319	43.9
93.03352	2.3
95.01267	2.4
96.95871	1.2
97.02808	1.7
97.06481	5.7
99.00757	1.8
101.02321	28.6
102.02698	1.8
108.02076	1.4
109.02853	1.3
109.06471	1.9
111.00728	1.4
111.08061	1.7
113.02339	17.5
119.03391	15.4
121.02904	1.7
123.08056	7.8
125.02348	1.6
125.09598	9.1
131.03377	1.9
135.04453	2.1
135.08034	2.4
137.02335	1.7
137.09619	1.7
137.60890	1.3
139.11176	4.7
141.09065	2.0
143.03435	3.3
146.86226	1.4
149.04439	2.5
150.03198	1.6
152.00993	1.4
152.08305	2.2
153.09120	4.4
155.10625	1.7
158.31633	1.3
161.04491	6.5
165.05440	2.3
165.12796	1.9
167.10718	4.0
167.53482	1.5
169.08575	3.7
173.04526	2.4
179.03453	1.6
179.05544	7.4
181.12311	18.6
183.10181	10.6
184.10693	1.5
187.09671	12.7
187.13387	1.2
191.05467	3.1
195.06630	1.6
199.13303	9.4
217.10733	8.9
217.67160	1.2
225.11267	19.4
231.12358	21.7
243.12354	81.4
243.16106	4.6
244.12698	6.1
259.15479	3.2
285.13293	3.8
311.10223	1.7
329.11502	2.5
345.15482	2.3
375.23468	1.6
387.23831	9.9
405.17151	9.8
405.25162	41.5
406.25488	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03311	3.6
58.00459	3.6
59.01252	68.7
60.01600	0.9
71.01256	31.9
71.57965	1.5
72.99158	2.5
73.02823	6.8
83.01257	2.3
85.02822	8.8
85.99977	0.8
87.00747	2.1
87.04384	1.6
89.02320	28.1
93.03360	0.9
95.01256	2.6
97.06466	0.9
101.02325	17.1
103.66630	0.7
109.06421	0.9
111.08051	1.4
113.02324	11.7
119.03380	10.6
123.08030	5.8
127.11170	1.9
137.09602	3.3
139.11153	1.5
141.09113	1.4
143.03426	1.6
143.37944	0.9
149.09636	13.6
155.10661	1.7
157.64600	0.8
161.04486	1.4
163.11203	12.0
164.11478	1.0
165.09055	1.1
167.10687	9.2
179.05446	2.1
181.12260	36.3
182.12579	2.0
183.10191	1.1
187.09616	2.4
191.05574	1.9
199.13338	19.4
200.13637	1.4
201.11357	1.5
225.11273	100.0
226.11644	6.3
231.12341	67.4
232.12700	3.3
242.05493	1.2
243.05760	1.3
243.12332	9.4
244.12794	1.1
259.15451	2.1
329.11008	1.4
361.18634	25.0
361.22934	1.8
362.19000	2.9
367.05560	0.8
387.23941	2.7
405.17557	42.7
405.24881	33.8
405.30276	1.6
406.17743	6.1
406.25443	4.1
408.11411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.159
Annotation	Murrastifoline B
Peak:m/z	Relative Intensity
57.03334	0.6
58.24378	0.5
59.01255	9.4
61.98705	0.8
63.86746	0.4
63.99532	0.4
71.01251	1.0
71.07159	1.0
73.02823	0.5
79.91580	0.4
79.95610	100.0
80.96396	14.6
83.01239	0.5
85.02851	0.6
89.02338	0.5
93.03366	0.6
96.95893	37.6
97.06489	0.6
106.66384	0.4
109.02792	0.5
111.08046	2.1
123.04398	0.5
123.08048	0.7
125.09612	4.0
127.11201	1.6
135.04410	0.8
135.08061	1.1
137.02307	0.5
137.09602	1.2
151.11169	1.0
153.09058	0.8
155.10703	0.8
163.00281	0.4
163.93497	0.5
165.09093	0.5
171.10196	3.4
191.05469	0.7
195.10176	0.5
201.11270	10.4
202.11545	0.9
209.11783	0.6
213.11263	7.2
214.11626	0.8
243.06621	0.9
281.17499	0.5
289.18039	2.2
305.17627	1.0
307.19138	4.1
325.20187	14.1
326.20477	1.4
336.08792	1.3
371.89212	0.4
405.15869	58.0
406.16171	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	68.8
61.38685	14.4
64.27098	18.1
69.79762	35.0
69.80167	69.3
71.01250	70.8
89.02306	81.0
101.02324	41.8
113.02259	16.5
118.23118	15.8
119.03368	23.6
168.00528	25.0
177.01808	100.0
183.02875	19.8
191.05478	24.4
192.04201	63.6
255.37596	20.8
357.96707	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.0
59.01252	100.0
61.39994	2.1
67.01786	2.7
68.55327	1.7
70.95736	4.5
71.01257	33.1
72.99187	4.1
73.02816	16.5
83.01263	5.5
85.02836	9.4
85.57226	2.2
87.00767	4.2
88.81067	2.1
89.02326	19.5
93.03338	5.3
93.71188	2.0
95.01280	2.1
99.00770	3.9
99.04375	2.8
101.02313	21.7
101.02826	2.0
109.02795	2.7
113.02342	13.4
119.03400	8.0
133.46846	2.3
135.00720	4.9
135.04384	2.9
137.02332	13.4
139.03900	7.4
146.03671	5.2
151.03967	6.1
153.01839	2.9
158.06177	1.8
161.04517	7.6
161.05949	2.2
164.01067	3.2
164.04758	5.0
165.01842	78.3
165.05450	3.4
166.02237	2.0
173.04507	3.2
173.52782	1.9
179.03416	39.1
179.05045	2.7
179.05632	2.3
179.07028	9.9
180.04202	45.7
181.04752	2.5
183.10149	4.3
191.05507	6.0
194.05827	9.2
195.06551	62.3
196.06978	4.4
201.11378	3.2
210.05145	10.5
225.05548	3.1
225.07628	37.7
225.15132	2.6
243.06494	13.7
243.15988	3.0
299.09329	7.2
311.10327	5.5
327.08743	44.8
328.08978	3.2
342.11093	22.4
345.15576	4.3
357.13391	82.7
358.13834	9.4
363.16571	5.5
375.14478	5.3
405.17151	24.1
405.21887	4.3
406.18066	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.67172	0.8
59.01254	8.0
61.42720	1.0
62.06829	1.0
69.03329	61.3
69.35400	5.4
69.35825	3.3
71.01243	3.9
75.90597	0.8
78.95751	1.1
79.01750	7.4
81.03336	4.8
82.79322	0.9
83.01249	1.5
85.02818	3.3
91.01769	2.3
93.03320	2.6
95.01269	6.4
97.02829	37.3
101.02332	3.6
107.01271	31.6
108.02071	18.3
109.02853	5.3
113.02338	2.2
121.02843	6.6
123.00777	8.3
125.02339	84.7
126.02681	2.0
133.02879	2.5
134.03665	2.0
135.00772	4.1
135.04456	1.9
136.01593	6.6
137.02351	5.2
149.02341	2.9
150.03133	0.8
151.00279	63.1
151.03906	1.3
152.01086	4.7
153.01836	14.6
163.03914	7.7
177.01863	11.9
180.86708	1.0
189.01781	1.3
197.06006	4.9
198.06671	1.0
199.07573	4.6
242.05812	100.0
243.06560	53.9
244.06963	4.6
285.07593	3.9
297.06027	13.2
298.06467	1.1
331.97318	1.1
357.24164	1.0
405.11874	11.8
405.29193	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
56.37185	0.4
59.01249	8.1
65.00186	0.9
65.03835	0.5
69.03326	12.1
71.01246	1.1
71.58201	0.7
74.53315	0.4
78.95784	1.1
79.01796	1.2
79.13295	0.4
79.95610	6.2
80.02555	0.5
80.96407	0.9
81.03297	0.9
85.02819	0.6
87.00748	0.4
87.93269	0.5
90.18936	0.4
91.01772	16.4
93.03331	0.7
95.01282	2.2
96.93071	0.4
96.95887	3.4
97.02833	7.4
101.02319	0.6
105.03416	0.4
106.59153	0.4
107.01277	4.7
107.04911	1.1
108.02055	20.9
109.02165	0.4
109.02853	8.0
113.02350	0.8
121.02821	2.0
123.00765	7.2
124.01514	0.5
125.02335	18.8
125.09650	0.5
133.02882	0.4
135.00774	16.9
135.04442	0.7
136.01604	1.0
137.02324	3.1
149.02359	1.4
151.00281	12.8
151.03917	0.5
152.01060	18.4
153.01839	12.9
154.02220	0.7
158.14384	0.5
163.03879	1.2
172.49872	0.4
173.04504	0.5
177.01839	1.2
191.05592	0.5
195.02902	0.5
197.06017	1.8
199.07581	0.5
207.03069	0.7
213.05588	0.9
215.07135	1.1
219.03102	0.5
225.05580	0.5
242.05821	19.3
243.06595	100.0
244.06927	6.6
262.11758	0.4
280.13959	0.4
285.07574	0.8
297.06082	2.6
325.20230	0.8
405.11343	5.8
405.16907	3.1
406.12082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
56.71862	0.4
57.03291	0.4
58.00470	0.6
59.01251	8.0
64.01431	0.4
65.00200	0.9
65.03832	3.1
67.01762	1.3
68.99686	0.6
71.01254	4.5
71.26999	0.9
72.99191	0.5
73.02829	0.5
80.02558	0.5
83.01279	0.4
85.02841	1.4
89.02322	1.8
91.01768	40.8
92.02106	1.0
93.03342	0.8
101.02312	2.6
107.04901	2.2
108.02056	3.2
109.02837	28.0
110.03155	1.0
113.02360	1.3
119.03392	0.6
121.02842	1.4
123.04393	0.5
131.04942	0.5
133.02846	1.2
135.00780	100.0
136.01089	3.0
137.02327	3.4
142.59813	0.4
145.02995	0.4
147.04475	0.5
149.02371	1.7
152.01067	1.1
153.01845	92.6
154.02229	3.6
161.02379	0.5
173.04488	0.6
175.03929	3.3
177.01891	2.5
195.02968	0.5
197.06033	1.3
199.07552	1.3
225.05481	1.0
225.14923	1.8
243.04071	0.7
243.06578	13.4
243.15953	2.5
244.06938	1.1
251.27670	0.4
267.06552	0.8
285.07797	0.4
297.06161	12.1
298.06458	1.1
405.12091	7.9
405.21234	23.8
406.12442	0.9
406.21817	2.3
424.01022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	CHEBI:76157
Peak:m/z	Relative Intensity
59.01254	2.1
65.00191	0.4
69.03330	0.2
71.01243	0.6
73.02805	0.5
78.95748	0.2
80.02544	0.5
85.02814	0.4
89.02333	0.2
91.01774	13.0
92.02133	0.4
93.03333	4.5
95.01257	0.8
101.02306	0.5
107.04878	0.8
108.02055	17.6
109.02871	4.4
113.02294	0.3
121.02850	0.9
123.00769	5.8
124.01572	0.3
135.00781	13.5
136.01128	0.3
137.02350	4.7
138.02666	0.2
139.11211	0.2
140.48967	0.2
152.01060	16.5
153.01544	0.6
169.06517	0.3
173.04427	0.3
191.05493	0.2
197.06042	1.4
199.07579	2.1
201.11295	0.3
209.65337	0.1
213.05455	1.2
215.07114	0.8
219.87503	0.1
225.05519	0.4
241.05023	0.2
242.05580	0.2
243.06599	100.0
243.68504	0.2
244.06938	7.4
281.98520	0.1
285.92426	0.1
363.20441	0.3
405.11920	7.1
405.24911	0.4
406.12347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06705	0.4
54.90209	0.5
59.01254	3.9
69.03327	7.5
71.58321	0.8
74.25443	0.4
78.95750	2.2
79.01780	0.8
79.95609	0.6
80.02548	0.4
81.03316	0.9
91.01773	13.5
93.03336	4.6
95.01254	1.5
96.19626	0.5
96.95892	0.8
97.02827	4.4
107.01247	2.8
107.04884	0.8
108.02058	19.9
109.02864	5.1
121.02853	1.2
123.00766	6.4
124.01578	0.5
125.02340	11.3
135.00783	15.5
135.04446	0.5
136.01332	0.5
137.02350	14.9
138.02684	0.7
149.02271	0.4
151.00272	7.3
152.01067	17.4
153.01837	2.7
153.78819	0.4
154.55595	0.4
163.03905	0.6
176.58957	0.4
177.01837	0.9
197.06020	1.6
199.07648	0.8
213.05515	1.3
215.06998	1.0
225.05463	0.8
242.05832	10.3
243.06593	100.0
244.06969	6.7
262.30609	0.4
285.07858	0.6
297.06155	0.7
405.11911	7.2
405.16531	0.8
406.12076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.0
58.02856	19.1
59.01254	87.9
71.01257	40.4
72.01627	3.1
72.99184	7.8
73.02829	9.6
74.02348	28.0
75.51556	2.6
85.02832	13.4
86.02344	9.5
87.00758	6.9
87.05527	8.2
89.02313	29.1
90.00098	3.8
93.03351	4.5
97.03967	4.2
99.05526	21.5
101.02318	27.5
102.02648	2.7
102.05470	3.6
109.02888	3.8
112.03934	3.5
113.02322	11.6
114.02659	2.8
116.01672	3.7
119.03381	9.9
127.05035	4.9
128.03426	54.7
129.91451	3.2
135.04526	3.3
135.05490	6.5
138.15260	2.8
141.06625	10.0
143.03665	3.6
143.04532	86.5
145.06100	4.9
146.04460	4.8
146.11182	2.7
153.06610	6.4
160.00629	27.1
161.04485	9.2
167.04515	7.4
171.33699	3.5
173.04549	3.6
177.03313	4.8
179.04514	15.9
190.40712	2.9
191.05605	9.2
197.05672	4.8
198.06747	10.5
206.12625	3.1
210.08801	14.1
242.05423	3.8
254.07806	24.3
272.08871	39.0
273.09171	3.0
288.06635	11.0
306.07687	100.0
307.07996	6.0
311.10352	2.8
357.13318	3.4
404.19580	9.4
405.17075	5.3
405.21640	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06115	17.5
53.29810	19.1
59.01241	47.3
61.98673	22.1
73.98649	18.8
74.86929	18.0
98.20562	55.0
133.02811	35.7
161.02327	100.0
173.04530	21.0
179.03432	24.3
273.66177	23.0
353.08295	21.5
401.68405	21.6
403.24484	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.6
61.98704	100.0
63.03860	0.4
71.31888	1.1
73.81722	0.4
82.44569	0.4
87.00745	0.6
89.02335	0.5
90.66454	0.6
123.90385	0.5
300.54651	0.4
313.86459	0.4
339.41830	0.5
388.49973	0.5
416.40790	0.4
420.38727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
57.03320	5.6
58.00455	4.8
59.01250	100.0
61.82594	3.2
63.02285	2.7
67.01762	2.7
70.01871	5.2
70.02293	10.1
71.01255	68.6
72.99181	9.0
73.02810	8.3
75.00761	3.5
83.01273	5.3
85.02831	19.6
86.47233	3.1
87.00758	8.4
89.02322	74.7
90.98457	3.8
95.01292	6.0
98.82195	3.8
101.02322	40.1
101.02914	3.6
109.02834	44.5
111.40435	3.2
113.02335	28.9
119.03431	27.5
123.08028	3.1
125.02357	5.2
129.01862	3.6
131.03477	4.6
137.09561	3.3
143.04552	5.8
143.44795	3.2
153.01854	5.5
161.04486	6.5
173.04504	3.7
179.05582	6.7
191.05486	3.2
205.12250	11.3
223.13443	5.3
385.18799	6.0
403.19736	9.8
427.08563	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.0
57.03325	5.0
58.00460	3.9
59.01253	100.0
60.01579	1.7
61.01691	1.1
66.92681	1.1
70.85754	2.1
71.01255	74.4
72.01621	1.3
72.99199	5.4
73.02821	12.8
73.10561	0.9
75.00731	1.4
83.01257	5.6
84.61794	1.0
85.02823	21.1
87.00760	5.0
89.02318	52.3
93.03339	2.4
95.01262	5.9
97.06499	1.3
99.00757	4.2
101.02329	44.6
102.02695	1.1
113.02330	30.0
118.97930	1.1
119.03392	23.4
125.02341	2.3
131.03345	1.8
133.04959	1.0
135.04433	1.5
137.02365	1.1
137.09645	1.6
139.00266	1.1
143.03409	4.1
147.08040	1.5
149.04475	1.9
157.02893	4.7
159.02870	1.8
161.04469	15.2
161.09628	5.7
163.11234	2.1
173.04478	3.3
173.06023	2.3
176.03378	1.1
179.05548	4.5
179.10660	5.4
181.12379	1.3
190.05037	1.6
191.05498	3.1
192.15038	0.9
195.04439	1.6
195.13869	1.1
196.05249	3.1
197.05992	4.5
199.03893	6.2
205.12285	1.2
207.10240	1.4
211.03970	2.7
212.04654	3.4
213.05295	1.0
221.91969	1.0
223.09741	3.8
223.13350	56.2
224.13739	3.7
229.04425	1.8
239.11871	1.4
240.04242	11.9
241.05029	99.9
241.14410	13.1
242.05356	9.1
253.06104	1.0
278.57791	2.6
283.10944	3.6
309.08670	1.5
327.09729	4.8
343.11798	1.2
359.16693	1.3
359.20911	2.6
371.08762	3.0
394.09216	1.4
403.10556	4.0
403.19672	48.5
404.10883	1.5
404.20236	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.2
57.03315	4.6
58.00454	4.3
59.01253	100.0
69.27578	2.9
69.27986	14.3
71.01253	74.4
72.01593	2.0
72.99190	5.1
73.02810	16.2
82.93927	1.5
83.01263	5.6
83.20533	1.6
84.17754	1.5
85.02822	25.0
85.03294	2.9
87.00765	7.1
89.02315	59.7
95.01273	7.2
97.03885	1.6
99.00766	5.5
101.02319	56.8
113.02321	34.4
119.03389	28.0
125.02342	1.8
133.10115	2.2
137.02359	1.9
143.03394	5.8
147.08011	2.1
149.04413	2.2
151.97926	1.5
159.02896	6.0
161.02412	1.7
161.04459	19.8
161.09613	7.6
163.11182	4.4
172.82738	1.5
179.05560	3.2
179.10789	2.6
191.05592	2.6
195.13828	2.0
223.13336	64.4
224.13692	6.8
241.05086	10.2
241.14395	18.7
273.01746	1.6
278.57626	1.9
308.06720	1.7
327.09958	2.7
338.42438	1.7
342.12085	1.8
359.20679	3.7
403.19763	51.7
404.20221	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.1
59.01252	18.1
63.62560	1.1
69.62561	9.7
71.01249	8.1
73.02818	4.5
78.73730	1.4
79.47091	1.3
80.04945	2.0
83.01257	1.8
83.04901	1.6
85.02858	2.1
87.00739	1.8
87.04395	1.9
89.02318	2.5
93.03336	1.8
95.01307	1.2
95.04903	1.3
97.06518	1.5
98.19804	2.4
101.02319	3.6
104.04932	2.7
109.02888	1.4
111.00793	2.3
111.08054	2.0
113.02316	1.7
118.02843	1.6
120.04380	1.4
121.02856	1.9
122.06013	9.5
123.00788	1.9
123.04490	1.6
123.07996	1.4
124.07570	2.5
125.02316	1.8
130.02864	3.7
132.04442	22.7
137.02307	2.8
143.03450	1.2
146.02382	1.7
146.06020	2.0
147.03139	3.9
148.03944	1.8
150.05510	3.5
151.00264	1.5
153.01549	1.3
155.10651	2.8
158.02405	8.8
159.02931	1.1
160.03944	13.2
161.04651	2.4
162.05495	4.6
163.04034	1.5
166.02591	2.9
167.03172	1.8
172.11331	1.5
173.04393	1.4
173.08153	1.8
174.05569	2.2
176.03435	14.4
176.07074	3.3
178.02580	1.5
181.05028	1.2
183.09302	1.7
184.07639	2.5
190.05038	20.4
191.05583	5.0
196.11337	1.5
199.04965	1.4
209.07164	2.2
211.08778	2.6
211.12357	6.9
212.05865	3.7
212.10736	4.8
213.06567	1.9
215.11848	5.6
220.02437	2.4
223.04964	1.3
223.08730	6.0
224.07312	2.5
224.09441	15.3
225.09987	2.3
226.07396	4.3
227.08221	7.4
234.04073	3.4
239.04590	1.6
239.08261	3.4
239.11847	30.8
239.13849	1.3
240.05318	1.5
240.10513	5.8
240.12299	3.0
241.09793	12.2
250.07365	1.6
252.05374	1.7
253.06133	29.6
253.09033	1.8
253.09875	1.7
254.03564	1.3
254.06705	3.1
255.02786	1.8
255.07687	3.5
255.11475	7.5
256.08484	3.9
265.09763	3.5
266.06989	1.2
266.07953	1.1
267.03943	1.4
267.07718	8.2
268.08578	12.1
281.09375	6.7
283.10876	81.8
284.11185	8.1
285.04099	5.0
294.06491	1.4
309.08792	22.6
315.13391	3.6
325.08951	1.5
327.09854	100.0
328.10153	9.9
341.11438	3.2
353.07816	3.8
359.12274	4.4
359.24380	2.7
360.11783	2.2
371.08786	63.8
372.09073	7.6
385.11819	1.3
385.22388	3.5
388.11157	16.7
403.11273	38.8
403.23361	22.2
404.11865	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01252	12.5
69.98579	1.0
70.69973	1.2
70.89721	0.8
71.01236	4.4
73.02813	1.7
80.04932	3.1
83.01247	1.5
85.02829	2.0
89.02309	4.0
100.05894	1.0
101.02319	2.8
104.04936	1.1
113.02299	2.6
119.03394	1.8
122.05993	10.6
124.07549	2.8
130.02869	2.7
132.04453	18.3
134.05960	1.1
146.02364	2.0
146.06030	1.4
147.03159	5.0
148.03972	1.8
150.05525	4.4
152.07082	1.3
158.02394	6.3
160.03940	10.6
161.04608	2.0
162.05501	3.2
174.05548	1.9
175.02698	1.2
176.03456	10.8
176.07063	3.7
179.10730	5.7
182.06123	1.1
183.09154	2.3
184.07642	2.4
190.05037	19.4
191.05621	2.9
195.09201	1.1
196.11261	2.6
198.04175	1.4
198.09288	1.4
199.04982	1.2
199.08664	2.0
204.02846	1.4
209.07082	3.0
211.04903	1.4
211.08681	1.4
211.12363	5.0
212.05803	3.0
212.10793	4.5
213.06618	2.3
213.10326	1.1
215.11815	4.7
220.02440	2.3
222.09215	1.1
223.08884	3.9
223.09636	4.5
224.07349	1.3
224.09517	15.8
225.06470	1.9
225.08118	1.3
225.09926	1.6
226.07370	5.1
227.08218	7.3
227.11780	1.2
234.04021	2.4
235.04892	1.3
237.10336	1.2
239.04626	2.3
239.08095	2.6
239.11845	32.4
240.05232	1.2
240.10562	6.9
240.12408	1.7
241.09785	12.4
242.10388	1.3
250.07372	2.8
252.05414	2.7
253.06149	26.0
253.10010	2.1
254.03075	1.2
254.06728	4.5
255.07739	5.1
255.11334	8.5
256.08517	1.2
265.09766	4.6
266.08209	1.6
267.07755	9.6
268.08521	11.2
269.08963	2.0
281.09305	8.4
283.10873	78.7
284.11215	7.0
287.10385	1.8
309.08777	24.5
310.09149	2.8
315.13464	2.1
327.09863	100.0
328.10193	9.8
341.11533	4.0
353.07895	5.4
359.12122	3.7
371.08817	95.2
372.09097	9.9
403.11420	33.4
403.19330	2.1
403.23373	3.4
404.11768	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63682	1.2
57.03331	1.7
59.01255	7.0
60.99175	2.8
66.61208	1.2
67.01770	6.4
69.22971	14.9
70.15903	1.3
71.01260	5.2
72.99180	28.1
81.03333	2.9
83.04900	2.4
85.02826	14.4
87.00754	10.2
89.02365	1.7
89.09771	1.2
93.03336	41.4
95.01283	2.9
101.02308	1.8
108.02026	1.5
109.02853	6.3
111.04413	5.1
119.03436	1.7
121.02853	4.0
123.00761	2.2
123.04427	2.9
124.01562	3.5
127.03914	2.9
129.01842	1.4
135.65941	1.2
136.01601	3.2
137.02347	42.1
138.02704	2.0
139.03918	8.0
149.02374	10.0
151.03828	1.8
157.05026	1.5
165.01923	1.4
167.03389	6.4
173.04477	44.1
181.54047	1.2
191.05540	100.0
192.05876	6.2
193.01321	6.9
211.02338	1.6
221.18925	1.4
229.03647	2.1
243.37714	1.4
247.04616	15.1
292.71906	1.4
385.07742	3.2
403.08804	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21014	3.2
57.03311	4.0
59.01253	37.5
60.34530	3.2
67.01754	7.1
69.03341	6.5
69.63885	24.1
71.01252	33.5
72.99192	24.2
73.02793	5.6
81.03323	6.9
85.02837	20.0
87.00745	6.6
89.02315	16.6
93.03328	44.8
95.01261	4.7
95.04895	5.9
97.02879	4.5
98.19841	4.5
99.04376	4.0
101.02332	12.1
109.02851	15.8
111.04377	11.4
113.02305	10.0
119.03418	4.3
121.02842	9.7
123.00755	7.1
123.04409	19.7
124.01570	6.5
125.02342	20.8
127.03902	3.5
133.02867	4.3
137.02365	39.9
139.03879	11.4
140.74887	3.6
143.03429	3.8
146.29251	4.4
149.02290	15.4
151.03873	4.8
157.04919	6.9
165.01837	4.2
167.03433	35.8
171.02904	5.7
173.04478	96.0
174.04712	5.7
175.48836	3.4
191.05544	100.0
193.01390	10.0
205.12236	4.6
229.03574	8.6
338.67746	3.4
403.08502	3.9
414.05713	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41590	3.3
59.01252	81.3
66.54443	3.0
71.44930	5.0
71.45250	4.1
72.77998	3.3
85.02806	3.6
92.44823	3.0
121.02846	100.0
151.71982	3.5
171.10193	11.2
181.06528	7.8
191.05602	6.1
205.37877	3.7
222.00710	3.6
224.40819	3.9
225.05579	4.7
233.64571	3.6
247.10005	3.7
313.07166	30.6
327.21701	6.4
343.24823	13.4
357.06204	5.9
401.09213	16.5
401.20886	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25515	3.8
54.18757	3.2
59.01255	100.0
61.98717	5.1
71.58316	5.6
72.71977	3.7
75.73035	3.7
85.94369	3.7
101.02337	4.2
108.03417	3.6
112.34202	3.6
121.02847	86.9
122.03175	4.6
135.04431	4.4
148.30074	3.3
149.02264	4.3
161.02301	4.7
163.03900	23.9
171.10219	3.9
207.00673	3.4
216.52435	3.7
220.10486	6.3
223.13287	3.9
225.05600	4.9
230.78700	4.1
299.10947	7.9
313.07251	28.3
314.07413	6.1
327.21771	10.3
357.06046	5.7
389.59274	4.3
401.08453	17.3
401.16220	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.1
57.03333	22.7
59.01253	100.0
67.01775	3.9
70.32979	6.3
70.33363	11.9
71.01258	64.7
72.01617	3.0
72.99169	7.6
73.02821	12.4
75.00745	8.6
83.01258	6.4
85.02830	25.0
87.00761	13.9
88.85155	3.3
89.02322	29.0
93.03326	4.3
95.01241	5.1
99.00768	12.4
101.02331	29.8
108.02061	31.1
109.02848	26.6
111.04539	3.3
113.02322	26.3
119.03401	11.2
123.04404	7.8
123.08019	8.8
124.02171	5.0
125.02306	3.6
127.00278	38.9
135.04453	16.8
137.02335	4.0
137.06024	4.1
151.07570	20.2
152.01108	16.0
153.01869	24.7
156.00383	3.1
157.01292	3.6
161.04443	9.9
161.09613	5.5
163.07558	19.9
165.09137	7.5
173.04442	4.7
177.09140	6.0
179.03445	8.5
179.07057	8.8
179.10658	13.2
187.07544	5.2
188.08353	10.1
191.05534	14.7
195.06520	7.9
197.04567	3.9
197.08237	4.8
203.10722	46.9
204.11093	5.9
221.11835	63.4
222.11938	5.3
296.15411	3.2
329.08862	4.1
343.14047	9.0
371.08847	3.4
401.10455	31.7
401.18539	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.1
57.03329	4.8
58.00463	1.7
59.01254	27.0
60.57941	0.7
62.80112	0.7
69.25561	7.5
69.25891	1.3
71.01257	18.6
72.99155	1.5
73.02826	4.4
81.73984	0.7
82.32027	0.6
83.01253	3.2
85.02823	9.1
87.00739	1.5
89.02312	5.9
95.01252	2.2
99.00766	1.6
101.02319	11.3
113.02332	6.2
119.03397	3.3
123.08049	3.8
161.04469	1.9
177.12729	5.6
195.13762	1.6
221.11768	3.7
247.48579	0.7
285.09592	0.7
401.18152	100.0
402.18390	9.3
420.72812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
52.89501	0.6
55.01763	3.3
57.03333	3.6
58.00454	1.4
59.01255	30.3
59.16316	0.5
69.25350	1.1
69.25776	4.9
69.26054	0.5
71.01256	27.9
72.99179	1.2
73.02824	7.3
83.01262	5.7
85.02822	11.2
87.00766	1.5
88.90104	0.6
89.02321	11.3
95.01280	1.9
97.09283	0.6
99.00757	2.0
100.63087	0.5
101.02326	21.2
113.01614	0.9
113.02332	8.4
119.03380	3.8
123.08051	3.6
134.54579	0.5
141.83377	0.5
143.03435	0.9
159.02908	0.8
161.04468	2.2
177.12788	6.0
189.16518	0.7
195.13853	3.6
221.11758	5.7
401.18161	100.0
402.18555	11.0
404.82516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01761	2.3
57.03328	3.5
57.37048	0.3
58.00465	1.0
59.01252	26.2
69.39043	2.3
71.01254	19.9
71.01665	0.4
72.99174	1.7
73.02816	5.8
75.00755	0.3
81.38776	0.4
83.00226	0.3
83.01264	4.4
85.02822	9.5
85.99962	0.8
87.00748	1.6
89.02322	8.3
93.03326	1.3
95.01255	2.0
98.20571	0.7
99.00763	2.3
101.02320	15.4
102.02641	0.4
111.00764	0.7
113.02329	7.8
119.03391	4.2
123.08057	2.7
125.02325	0.4
131.03432	0.3
135.04424	0.8
151.11218	0.4
156.73007	0.3
159.02895	0.8
161.02267	0.3
161.04445	1.9
161.09579	0.7
165.73184	0.3
173.04440	0.9
177.12769	4.9
178.99890	0.4
179.03386	0.4
179.05566	0.6
188.00993	0.7
191.05560	2.7
192.88763	0.3
195.13831	2.3
202.51109	0.8
221.11769	4.4
222.11984	0.5
271.02679	0.4
284.04300	1.6
284.54330	0.9
401.18134	100.0
402.18466	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67191	2.1
55.01751	5.8
57.03321	6.1
59.01251	71.0
69.03307	2.4
71.01256	100.0
72.99188	11.2
73.02821	26.0
75.00740	17.2
83.01249	10.1
83.04883	2.6
85.02828	36.7
87.00758	12.6
89.02328	26.1
93.03360	11.4
95.01256	6.0
97.02851	2.9
99.00782	11.9
101.02326	42.4
105.01807	16.7
107.04900	4.0
108.02078	5.5
113.02330	28.9
119.03346	5.1
119.04911	3.2
123.04381	3.4
123.08115	2.6
125.02354	3.0
129.01842	3.7
135.02884	8.6
135.04385	7.8
137.05978	6.6
139.03920	5.9
143.03387	3.1
146.96635	2.3
149.02325	2.6
151.11195	2.8
155.03412	2.3
159.02873	5.2
161.04483	34.7
165.09113	3.2
173.04494	10.4
175.02417	3.6
177.09384	2.5
179.03448	4.6
179.07028	6.6
179.10707	4.8
191.05524	28.3
192.05849	3.8
195.10191	2.6
203.10686	4.6
205.08698	4.0
221.11784	9.9
237.07593	2.0
257.08127	2.5
269.10342	39.0
270.10669	2.8
273.03891	2.3
308.93915	2.5
401.13651	33.8
401.18231	31.1
402.14563	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01762	6.8
57.03318	8.5
58.00463	2.5
59.01250	52.1
66.99248	0.7
67.01765	1.1
69.03320	3.2
69.59989	1.9
69.60400	3.9
71.01254	100.0
71.04892	1.3
72.01583	1.9
72.99184	4.0
73.02820	40.8
75.00751	3.8
81.03333	1.3
83.01263	17.6
85.02821	43.1
85.99966	0.9
86.03161	1.0
87.00748	6.4
89.02316	23.3
90.02634	0.8
93.03352	4.2
95.01261	6.8
97.02827	6.6
98.07545	0.8
99.00751	16.9
99.04410	2.1
101.02322	71.5
102.02671	1.5
107.04917	1.4
109.02825	1.7
110.21316	0.8
111.00792	2.3
111.04401	0.8
113.02330	32.0
115.03881	3.7
119.03399	2.8
121.02827	1.0
121.06461	1.1
123.04438	1.0
125.02348	6.7
127.03942	0.9
129.01846	2.0
131.03378	4.2
135.04396	3.2
136.58582	0.7
137.02324	2.2
139.03871	0.8
143.03389	3.7
149.04491	2.1
149.05807	0.8
151.11195	1.6
153.01836	1.0
159.02888	7.8
161.02365	1.7
161.04465	43.8
162.04898	1.2
164.01118	2.2
165.01837	3.7
173.04462	4.6
177.09125	1.0
179.03423	4.0
180.04161	3.1
187.07578	0.9
191.05525	10.4
191.07130	1.0
195.06618	3.8
195.10110	0.9
203.10652	1.1
205.03471	2.2
221.11777	1.7
233.06540	8.2
236.57739	1.0
239.09312	1.3
269.10297	77.9
270.10617	6.7
293.08804	2.9
327.07224	1.2
340.17072	0.9
401.14505	62.8
402.14767	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01758	6.3
57.03318	6.3
58.00472	2.6
59.01251	54.1
60.01608	0.9
69.03337	1.9
71.01254	100.0
72.01575	1.8
72.99183	8.3
73.02821	34.3
74.03174	0.9
75.00743	17.1
82.63052	0.8
83.01263	15.1
85.02822	42.9
85.99995	1.0
87.00755	10.5
87.04387	1.0
89.02322	12.6
93.03342	3.6
95.01254	7.5
95.04884	1.2
97.02849	3.6
99.00756	16.8
99.04417	1.0
101.02323	52.6
102.02668	1.3
103.00306	0.9
105.01820	11.5
107.04905	1.6
108.02065	3.8
109.02862	2.1
111.00772	2.1
112.01570	1.5
113.02332	29.9
115.00298	0.9
117.01836	0.9
119.03395	1.5
119.04906	1.0
121.02803	1.0
123.04430	0.9
123.08032	1.7
125.02367	3.0
129.01845	2.9
131.03381	1.8
135.02867	4.3
135.04376	2.6
137.06012	2.5
139.03926	5.2
143.03416	3.5
149.02330	1.8
151.03934	1.3
151.11267	0.9
152.01016	1.0
153.01846	1.0
153.09229	0.9
159.02956	6.5
161.04466	35.3
162.04822	1.1
163.11180	1.1
164.04716	2.8
165.09148	1.1
166.65524	0.9
173.04459	3.2
175.02373	1.2
177.09184	1.2
179.03476	1.8
179.07037	4.3
179.10686	2.4
187.07509	1.1
189.12846	1.8
191.01900	0.8
191.05550	9.8
191.07120	1.4
191.70508	0.8
202.97185	1.1
203.07112	1.7
203.10721	1.1
205.03484	1.4
205.08606	2.0
221.11803	2.1
235.09702	1.5
239.12650	1.2
259.77728	0.9
269.10309	52.1
270.10724	4.0
306.03738	0.9
339.13223	2.3
343.13596	1.1
401.14447	47.3
401.18481	14.4
402.14313	6.7
402.19235	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04808	0.6
57.03336	1.1
58.61345	0.5
59.01253	100.0
60.01601	0.9
61.73915	0.5
66.61417	0.6
68.62769	0.6
71.01260	6.1
72.99229	0.9
73.02828	1.5
74.02399	0.5
82.76478	0.5
83.01298	0.8
83.04870	0.6
85.02818	2.8
87.00775	1.5
89.02338	2.2
91.62173	0.5
93.03339	5.7
97.06464	0.7
98.20621	0.8
101.02329	3.3
109.02856	1.9
111.04417	1.0
113.02344	1.7
119.03392	0.8
121.02896	0.7
132.96976	0.6
135.04398	2.9
137.02316	0.9
173.04457	4.4
179.03456	1.1
191.05524	8.5
191.07069	0.7
192.05948	1.3
229.08717	0.6
229.22864	0.7
233.70691	0.6
325.11954	0.9
401.10773	0.8
401.13248	0.8
401.17651	4.7
401.22113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04808	0.6
57.03336	1.1
58.61345	0.5
59.01253	100.0
60.01601	0.9
61.73915	0.5
66.61417	0.6
68.62769	0.6
71.01260	6.1
72.99229	0.9
73.02828	1.5
74.02399	0.5
82.76478	0.5
83.01298	0.8
83.04870	0.6
85.02818	2.8
87.00775	1.5
89.02338	2.2
91.62173	0.5
93.03339	5.7
97.06464	0.7
98.20621	0.8
101.02329	3.3
109.02856	1.9
111.04417	1.0
113.02344	1.7
119.03392	0.8
121.02896	0.7
132.96976	0.6
135.04398	2.9
137.02316	0.9
173.04457	4.4
179.03456	1.1
191.05524	8.5
191.07069	0.7
192.05948	1.3
229.08717	0.6
229.22864	0.7
233.70691	0.6
325.11954	0.9
401.10773	0.8
401.13248	0.8
401.17651	4.7
401.22113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
58.60377	0.5
59.01248	5.3
67.01775	1.0
68.99700	1.0
69.03319	2.2
69.46558	1.9
69.46966	2.4
71.01259	14.1
72.99170	2.2
73.02814	11.2
75.00763	1.4
80.48215	0.6
81.03353	1.1
83.01265	1.3
85.02827	10.0
87.00755	86.6
88.01093	1.7
89.02316	0.9
93.03327	1.0
95.01297	0.8
97.02824	2.0
99.00760	1.9
100.01563	0.7
101.02322	4.4
109.02841	3.5
111.00774	1.5
113.02325	3.6
115.00224	0.8
115.68891	0.5
116.93027	0.5
118.59724	0.6
121.02842	2.3
121.65123	0.6
123.00745	1.7
123.04399	1.2
125.02333	1.1
127.00211	0.6
127.03879	1.3
129.01834	1.3
131.03416	2.5
133.02892	0.7
134.14590	0.6
135.04419	5.2
137.02344	1.0
137.06027	1.2
138.03091	0.9
139.03862	1.1
147.04515	1.0
149.02356	3.6
149.06026	0.9
150.03104	1.5
151.00290	9.8
151.03862	2.7
153.05440	1.1
157.04970	0.8
159.04416	1.8
161.02364	5.2
162.03110	1.8
163.03903	5.7
164.04703	11.7
165.01840	1.4
165.05473	7.7
166.02637	18.2
166.06245	1.2
167.03011	1.2
173.02414	1.9
175.03937	1.4
176.04739	4.5
177.01859	3.2
177.05486	5.7
178.02640	1.6
178.06291	4.2
179.03445	12.1
179.07054	20.2
180.03899	0.9
180.07391	1.7
181.03389	1.2
181.04985	20.5
182.05383	0.8
187.03970	2.0
188.04669	1.0
189.01907	1.3
190.02487	1.1
191.03447	7.2
191.05530	1.5
191.07053	2.7
192.04202	2.0
193.05013	5.8
193.08667	0.9
194.05762	9.3
195.06470	1.7
201.01813	0.7
202.06281	0.9
203.03421	2.7
204.04089	1.1
205.01324	1.2
205.05006	3.0
206.05807	2.5
207.02940	1.4
207.06563	2.4
209.08148	11.7
210.08574	0.6
218.05812	1.5
219.02905	2.8
219.06534	0.9
221.04524	2.4
221.08176	2.2
222.05290	1.4
231.02969	2.4
234.05348	1.9
235.02496	1.1
235.05963	1.1
236.06798	0.7
237.07626	2.6
238.04855	0.7
239.05588	4.4
239.09248	0.7
243.02907	0.8
245.04514	0.8
246.05281	0.8
247.02524	1.3
247.05981	0.6
249.07635	4.1
250.04848	2.6
251.09264	1.0
261.07669	1.2
262.04791	1.7
265.07172	42.0
266.07425	3.8
277.07175	4.9
279.08755	1.2
291.08835	0.8
295.08197	12.1
296.08667	1.0
309.09787	0.7
325.09296	8.8
326.67175	0.6
341.10846	0.9
355.10333	2.3
357.11859	1.4
383.09769	1.3
391.01279	0.7
401.10883	100.0
402.11240	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.4
56.30510	2.2
59.01241	7.7
68.99697	3.5
69.03342	2.8
69.46892	2.1
69.79832	4.7
69.80247	9.8
71.01236	11.7
71.33852	1.9
72.99184	3.9
73.02821	7.1
80.54298	2.6
83.01251	2.7
85.02831	9.5
87.00752	88.8
89.02326	2.8
93.03315	3.8
99.00806	2.2
101.02313	2.8
109.02876	4.5
113.02288	4.0
121.02811	5.2
123.00756	9.6
131.20389	2.1
135.04422	5.7
138.03116	6.3
147.04425	3.0
149.02319	6.7
149.06041	2.3
151.00296	6.8
153.01836	4.0
153.05409	2.9
161.02356	23.1
163.03920	33.1
164.04726	28.8
165.01920	2.9
165.05440	6.9
166.02573	11.4
173.02371	4.6
175.03937	6.6
176.00908	2.7
176.04697	16.0
177.01811	6.7
177.05351	3.3
178.02640	2.9
178.06299	26.3
179.03471	18.9
179.07048	47.9
181.04961	13.3
187.03944	5.4
188.04704	3.1
189.01987	2.8
191.03427	31.3
191.05498	11.6
191.07097	10.4
192.04193	4.3
193.04999	17.2
193.08672	4.3
194.05798	12.5
200.70082	2.6
203.03435	14.1
204.04181	4.1
205.01448	2.8
205.04980	12.2
206.05800	11.4
207.02921	6.8
207.06564	3.9
208.07498	2.6
208.35643	2.4
209.08133	13.3
218.05780	5.7
219.02910	7.8
219.06332	3.2
220.03632	4.6
221.04475	7.2
221.08139	10.2
222.05215	2.3
231.02849	3.9
234.05286	6.8
235.02448	3.0
235.06056	4.0
236.06960	2.9
237.07594	5.0
238.04813	5.5
247.02422	10.8
247.05972	6.3
249.07597	6.5
250.04805	4.3
251.09241	4.6
261.07578	4.5
262.04803	14.6
265.07181	79.8
266.07559	4.4
277.07169	40.0
278.07584	3.3
279.08835	2.6
295.08249	100.0
296.08649	8.3
325.09378	4.0
337.09052	3.7
355.10294	21.8
383.09723	6.8
401.10880	92.1
402.11285	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02499	1.1
57.03333	1.5
59.01252	4.0
59.81331	1.0
69.63934	8.7
69.90302	1.1
70.82813	1.0
71.01258	34.7
73.02817	24.2
74.06856	1.0
85.02818	15.4
87.00751	100.0
97.02830	4.4
99.00762	1.6
100.01540	1.4
101.02316	6.6
109.02808	4.7
111.00725	1.1
113.02363	3.5
121.02878	1.9
123.00694	1.9
123.04390	1.2
127.03918	2.8
131.03384	2.9
143.16434	1.2
149.02299	1.4
151.00284	12.1
152.01057	1.3
161.02333	2.2
163.03932	1.7
164.04723	1.5
166.02637	35.8
176.04694	2.4
177.01840	2.3
179.03432	2.8
179.07019	1.7
181.04973	33.4
187.03900	1.6
190.02695	1.4
191.03600	2.4
191.05548	5.9
192.04213	1.2
193.04948	1.5
194.05771	3.5
207.06537	2.5
209.08098	3.9
219.02942	1.9
219.06465	1.5
222.05313	1.6
231.03014	2.2
234.05345	3.3
237.07648	2.8
243.02898	1.3
249.07742	5.6
261.07706	3.0
265.07031	1.7
367.55569	1.1
401.10873	91.5
402.11386	7.2
411.23550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
59.01236	4.4
68.99682	1.0
69.03331	1.3
71.01257	16.1
71.14580	1.1
71.14916	1.7
72.99176	1.2
73.02814	12.7
73.41356	0.9
75.00748	1.2
83.01278	1.3
85.02831	12.2
87.00751	100.0
88.01079	2.3
89.02296	2.0
95.01247	1.6
97.02820	3.6
99.00768	1.4
101.02305	4.1
108.02026	5.0
109.02836	5.6
111.00783	1.8
113.02292	3.5
119.03394	0.9
121.02827	3.1
123.00754	2.1
127.00159	1.0
127.03945	1.2
131.03389	2.5
135.04396	6.2
137.02361	1.8
138.03146	2.2
149.02332	4.1
150.02995	1.1
151.00279	8.5
151.03882	2.3
152.01042	2.9
153.01788	1.7
153.05470	1.7
155.58490	0.9
159.04451	1.9
161.02376	6.2
162.03107	2.2
163.03944	6.6
164.04709	12.8
165.05504	7.5
166.02637	18.1
173.02419	1.9
175.03923	1.7
176.04681	6.4
177.01869	5.0
177.05513	5.0
178.02716	1.3
178.06268	5.7
179.03419	13.0
179.07047	28.4
181.04996	22.2
182.05222	1.4
187.03963	2.2
188.04527	1.1
189.01845	1.2
190.02623	1.0
191.03423	8.0
191.05457	2.3
191.07104	3.0
192.04179	3.2
193.04987	4.6
193.08719	1.7
194.05763	10.2
202.06168	1.3
203.03415	3.5
204.04189	2.1
205.04945	4.4
206.05772	3.5
207.02919	1.2
207.06531	1.9
209.08093	13.6
215.03516	1.3
217.39424	1.0
218.05740	1.5
219.02950	3.3
220.03644	1.4
221.04535	1.5
221.08130	3.5
222.05264	1.6
231.02968	1.5
234.05295	3.6
235.02504	1.2
235.06140	1.4
237.07658	4.1
238.04689	1.1
239.05466	2.5
246.05240	2.3
247.02348	1.6
247.06111	1.8
249.07674	4.3
261.07697	2.6
262.04709	2.5
265.07150	42.6
266.07440	2.9
273.07474	1.2
277.07150	7.4
295.08200	14.4
325.09323	8.4
326.09598	1.1
355.10428	4.9
357.08215	2.3
370.81070	1.1
383.10013	2.0
401.10883	91.3
402.11386	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.9
59.01251	24.9
69.88918	7.8
71.01246	14.2
73.02813	11.8
81.03327	2.4
83.01276	3.4
85.02820	9.4
87.00735	2.1
89.02312	3.5
93.03321	3.9
95.01252	5.7
99.00745	2.3
101.02335	6.5
103.03888	10.5
108.02055	73.1
109.02846	62.4
113.02325	4.7
119.03391	2.0
121.02828	3.4
121.06461	2.7
122.03624	3.4
123.00751	4.3
123.04402	2.3
134.29691	1.4
135.04385	2.7
137.02353	2.3
137.06001	2.1
149.09602	3.0
151.07489	3.1
152.01056	78.2
153.01849	28.9
160.61273	1.5
161.04507	2.2
163.03889	1.7
165.87241	1.4
173.04451	1.9
177.09129	18.3
179.03410	3.6
179.07042	2.1
191.05502	7.9
197.08046	5.7
203.10721	4.8
205.08594	1.6
206.27742	1.3
221.08185	1.5
221.11708	10.5
225.18515	1.4
236.94775	1.2
239.09151	3.4
286.87976	1.4
297.06256	1.8
315.07294	1.7
341.12421	5.1
359.13394	3.1
371.09711	1.8
383.09860	6.8
394.87796	1.3
401.10825	100.0
402.11185	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23967	6.7
59.01249	42.0
61.98704	16.7
64.42616	7.6
69.46117	14.4
69.46517	42.2
70.32276	6.1
71.01270	37.7
73.02830	18.8
78.25176	6.9
85.02833	17.7
86.02396	6.5
87.00764	13.3
89.02345	17.1
95.01247	8.0
101.02344	13.2
101.54740	7.6
103.03914	7.5
108.02062	100.0
109.02869	56.7
113.02306	10.2
119.09724	6.8
147.76762	7.2
152.01068	77.1
153.01903	44.3
164.04697	14.8
173.04472	9.1
179.03363	10.0
179.07127	14.1
182.16811	7.1
191.05527	37.2
210.41982	6.7
357.08188	54.7
401.10861	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.1
57.03325	10.7
58.00466	0.7
59.01252	17.8
67.01763	0.9
68.99686	0.6
69.03336	2.9
71.01254	68.2
71.04893	1.2
72.01591	1.2
72.02000	0.5
72.99174	1.9
73.02820	12.1
73.92799	0.3
75.00742	0.4
81.03317	0.5
83.01260	12.0
84.02041	1.7
85.02824	57.5
85.99960	0.5
86.03162	1.4
87.00752	3.2
87.04393	26.4
89.02319	9.0
93.03353	0.8
95.01263	18.8
96.01607	0.4
97.02827	1.8
99.00095	0.3
99.00761	11.3
101.02324	12.7
109.02781	0.4
111.00775	0.4
111.04348	0.3
112.01516	2.0
113.02332	100.0
114.02661	2.4
115.03922	0.3
119.03382	0.5
124.01563	0.5
125.02377	1.7
125.09679	0.5
131.03392	0.5
133.02956	0.3
135.04457	0.6
139.00259	0.8
141.34587	0.4
142.02637	0.4
143.03418	3.8
149.13319	0.4
152.23845	0.3
159.02898	0.9
160.03668	0.6
161.04471	5.6
162.06786	0.4
167.14342	1.0
169.12248	1.3
173.04478	0.8
179.14316	2.3
183.13818	1.1
185.15381	2.1
191.05525	1.2
206.97234	0.3
211.16974	0.7
230.15654	0.3
255.19640	3.5
268.64291	0.3
311.18597	0.6
333.54535	0.4
369.69174	0.3
397.22391	0.4
399.23883	24.5
400.24152	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2174
Annotation	Lucidone B
Peak:m/z	Relative Intensity
59.01241	1.0
71.58134	1.4
71.58485	0.9
78.95773	13.6
87.31377	1.0
96.96809	1.5
100.33868	0.9
100.34519	1.0
108.02025	4.2
109.02837	36.4
109.03591	2.0
110.03229	1.5
116.42868	0.8
122.03616	1.5
129.48402	0.9
133.02832	0.9
135.04480	1.1
139.59160	1.1
148.05185	1.4
159.04442	3.8
161.06036	1.4
173.05983	2.6
174.06796	5.5
180.02869	0.9
185.06015	1.9
187.03981	8.6
187.07559	33.7
188.04765	1.7
188.07973	1.7
201.05513	34.4
202.06041	1.1
213.05554	2.3
227.07175	1.9
291.19684	2.9
302.15240	2.4
330.14713	23.7
331.15125	2.4
353.20956	1.3
381.20724	14.7
382.20807	1.6
399.21732	100.0
400.14020	1.6
400.22064	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12781	0.8
57.03319	1.2
59.01249	100.0
64.67996	0.8
66.60736	0.8
67.01747	1.1
69.31441	9.5
71.01247	5.2
73.02832	1.6
73.67373	0.8
85.02818	6.3
87.00757	2.5
89.02295	1.8
93.03323	6.8
101.02313	3.4
109.02814	1.8
111.04422	1.3
113.02320	1.5
127.03834	1.2
127.67670	0.8
135.04457	2.1
137.02330	2.6
170.92616	0.9
173.04486	5.5
173.05756	1.1
179.03404	1.6
191.05539	29.9
192.05904	2.0
195.06531	2.1
199.03876	1.6
201.05371	1.1
201.79124	1.0
227.03474	2.4
228.04068	1.7
249.35515	0.9
281.10257	7.3
281.60501	2.7
283.13489	6.4
284.13718	1.3
309.15109	0.9
311.13101	1.0
327.16049	0.9
353.13791	1.5
359.19586	0.9
371.14810	1.8
399.14981	5.5
399.19882	1.6
399.65079	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
59.01251	7.1
68.43449	0.3
69.03321	0.3
69.46556	3.0
71.01260	3.7
73.02820	0.8
81.03335	1.0
85.02815	3.3
87.00734	0.6
89.02323	3.2
93.03351	1.6
93.04619	0.3
95.01269	1.5
99.00819	0.4
100.00285	0.4
101.02316	2.7
101.05959	3.2
108.02055	100.0
109.02875	20.3
110.03221	0.4
113.02348	1.4
119.03389	1.2
121.02860	0.8
123.00741	1.0
123.04404	1.0
125.73072	0.4
133.02847	0.7
135.00780	0.4
135.04402	1.0
136.05075	0.4
146.03651	0.7
150.03151	0.4
151.03958	2.2
152.01057	57.2
153.01851	18.6
154.02179	0.7
157.81662	0.4
163.03920	0.8
165.01831	1.4
167.06071	1.2
173.04495	1.8
177.09074	0.6
179.03343	0.4
191.05544	3.9
195.02998	0.4
201.09094	2.4
209.07140	2.4
219.10211	3.9
225.04019	0.5
231.41568	0.3
258.11880	0.4
266.09283	0.6
278.09332	2.5
340.09305	2.5
381.15363	0.3
399.12930	62.6
399.59894	0.4
400.13290	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1297
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
55.01747	4.0
57.03325	5.9
58.00473	2.3
59.01252	31.9
69.44475	3.4
69.44894	13.4
71.01255	37.0
71.12126	1.5
72.99187	9.6
73.02815	6.7
75.00751	25.8
77.03838	2.1
78.95737	2.0
79.05395	5.8
82.61758	1.6
83.01254	3.7
85.02827	25.2
87.00764	29.5
87.04398	2.9
89.02312	9.3
93.03336	8.8
95.01257	2.3
95.04904	3.9
96.95863	1.9
99.00755	7.7
101.02343	9.2
105.01815	22.7
105.03339	11.3
107.04923	7.8
109.02843	7.2
111.00777	4.9
111.04385	4.3
113.02358	13.2
113.05944	4.0
117.01852	2.1
119.03352	2.7
119.08549	4.1
121.02859	10.5
122.03632	8.5
123.04412	73.0
124.04798	2.2
127.00292	3.7
129.01833	4.2
131.08540	2.1
135.02876	8.4
135.04436	2.6
136.05157	6.1
137.02351	3.6
137.09615	3.7
139.07495	3.2
149.02359	9.8
151.07558	4.2
152.08383	3.4
153.09090	2.3
157.05081	1.8
157.06482	7.1
159.04388	2.2
161.04443	3.0
161.09587	4.1
162.03075	2.9
163.07512	15.4
165.01869	8.4
165.09119	4.0
166.02658	10.5
167.03427	20.2
167.07127	2.4
173.04475	7.3
175.02414	3.5
175.07542	29.9
175.11235	3.1
177.05437	4.4
177.09068	3.1
179.03455	4.4
191.03963	3.3
191.05565	39.3
192.05864	3.2
193.08623	13.7
195.06537	8.2
201.05534	2.9
205.03502	2.6
205.12302	3.4
207.06544	7.5
219.06583	65.7
219.09863	8.7
220.06885	5.4
223.04558	3.2
223.13344	2.6
231.06612	6.8
237.07642	82.2
237.11385	4.0
238.08008	5.3
249.07726	2.1
251.09106	2.9
251.11433	4.2
261.07626	6.9
267.02686	1.7
279.08749	6.1
329.08539	3.0
399.12833	100.0
399.16760	50.4
400.12598	8.1
400.17206	5.3
401.06561	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
52.75815	0.2
59.01255	0.8
64.99857	0.3
65.00185	0.4
68.99675	0.8
69.94404	1.3
71.01260	0.8
71.01614	0.3
73.02816	0.4
78.95803	0.3
80.02555	0.4
85.02808	1.5
89.02284	0.3
93.03339	1.1
93.61817	0.3
94.88254	0.3
94.88941	0.3
95.04887	0.3
101.02354	0.6
105.06963	0.4
107.04932	0.4
108.02045	2.6
109.02850	1.5
115.05393	0.5
117.06964	0.8
119.08546	0.7
121.02856	3.3
121.06470	0.7
122.03638	0.3
123.04425	2.2
125.40126	0.3
129.01955	0.3
129.06995	1.0
130.04175	0.3
131.08563	3.3
133.02850	2.0
133.06506	2.0
134.03639	0.5
135.04422	1.7
137.02205	0.3
141.37283	0.3
145.02826	0.4
145.06519	1.5
147.04422	0.6
147.08038	0.9
148.01530	0.8
149.02327	0.4
149.05943	0.3
151.03859	0.4
151.07568	0.7
152.01053	1.1
153.80377	0.3
157.06522	1.0
159.04416	3.6
160.05167	0.4
161.02228	0.3
161.06009	0.8
163.07558	19.3
164.07945	0.9
172.62289	0.3
173.04477	1.6
173.06009	1.2
175.07568	34.6
176.07887	2.0
177.01877	4.6
177.05594	0.3
178.02208	0.3
179.03423	0.4
181.01486	0.3
181.04921	0.3
188.04674	0.4
189.05479	1.7
191.05536	4.7
191.07071	0.5
193.08643	12.2
194.09033	0.6
195.06570	0.4
201.05450	0.7
205.05022	0.4
206.05721	0.5
207.06531	0.9
219.06572	21.4
220.06943	1.2
235.09781	0.6
237.07651	100.0
238.08000	5.7
261.07663	0.3
279.08762	1.7
284.26215	0.4
399.12955	58.5
400.13266	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.0
57.03328	3.5
59.01253	100.0
62.81593	1.7
67.37416	1.5
69.03294	1.9
70.86387	3.1
70.86785	3.2
71.01257	51.0
72.99182	4.2
73.02810	12.4
78.95771	1.8
79.05390	2.0
80.43359	1.6
83.01264	5.6
83.04893	3.3
85.02827	23.6
87.00738	3.0
89.02322	29.9
93.03357	4.1
95.01259	3.6
97.02892	1.5
99.00768	6.3
101.02328	48.0
107.04893	7.0
110.32159	1.4
113.02330	18.9
117.35220	1.8
119.03395	12.6
119.04951	2.0
121.02847	6.5
125.34877	1.5
130.14294	1.4
131.03560	1.6
131.08533	1.8
133.06471	2.6
133.10126	2.4
137.02390	1.9
137.64665	1.4
143.03429	2.9
145.06442	3.4
157.06476	13.9
159.02974	3.0
159.08069	3.1
160.08850	26.1
161.04482	28.4
171.10233	2.3
173.04544	3.5
173.05957	1.9
173.09651	3.7
175.07607	14.4
175.11206	45.3
176.11482	1.8
179.03418	2.0
179.05531	2.6
191.05573	5.5
193.08507	2.7
195.06531	3.6
201.05519	25.9
217.05022	2.2
219.06635	57.1
219.10176	54.4
220.06802	2.0
220.10556	3.4
237.07671	3.1
251.11343	73.1
252.11690	4.3
268.22586	1.4
285.07727	4.9
381.11899	3.3
399.11890	18.3
399.17377	25.7
415.53577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
55.01754	1.0
56.14083	0.7
59.01256	10.7
67.01751	0.7
69.64448	5.6
71.01251	7.4
72.99190	0.9
73.02819	1.6
79.05401	3.8
85.02828	3.8
87.00751	1.7
89.02315	2.5
90.54678	0.7
93.03337	2.6
99.00756	1.1
101.02316	3.4
105.03336	10.1
107.04918	4.9
108.02052	1.0
113.02319	2.3
121.02831	3.6
122.03616	3.4
123.04411	46.9
124.04768	1.5
127.00294	1.4
135.04382	2.5
136.01613	1.2
137.02307	1.3
137.09627	2.6
140.58791	0.8
149.02325	5.8
151.03809	0.8
157.06514	6.2
159.04434	1.2
161.04485	1.9
165.01839	5.9
166.02615	5.9
167.03395	12.2
173.04472	1.9
175.07565	18.8
175.11136	2.0
176.07967	0.9
176.44487	0.8
187.11119	0.9
191.05583	6.7
192.04253	0.8
193.08609	4.5
195.02893	2.5
195.06554	8.3
201.05486	3.2
219.06575	51.7
220.06866	3.3
237.07642	44.1
238.08022	2.7
251.11320	3.3
329.08698	1.8
399.12909	100.0
400.13266	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88347	1.3
59.01253	9.6
67.01779	1.7
71.01257	4.3
71.57067	1.8
71.57428	1.8
72.81707	1.2
73.02821	7.4
79.05414	5.5
85.02841	4.0
87.00782	1.8
89.02317	2.1
93.03323	3.1
95.01241	2.0
101.02309	2.8
105.03334	11.6
107.04890	7.5
109.02831	3.6
113.02326	2.7
121.02839	10.5
122.03625	4.0
123.04408	61.5
124.04778	2.7
129.28270	1.5
135.04385	2.9
136.01561	1.5
137.02353	2.3
137.05986	1.6
147.85985	1.5
149.02319	5.7
149.05968	1.9
151.03876	2.8
157.06496	5.7
165.01834	7.8
166.02608	6.2
167.03419	17.8
173.04491	3.7
175.07564	23.3
177.05420	1.7
179.03465	2.0
191.05563	12.4
193.08549	3.9
195.06595	11.5
201.05502	2.2
219.06566	47.7
220.06978	2.9
237.07649	58.7
238.08012	2.8
243.31073	1.5
329.08722	1.7
399.12918	100.0
400.13232	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66871	0.9
59.01252	100.0
59.71375	0.9
59.93850	1.0
60.01582	1.7
61.01669	1.1
69.28177	1.6
69.28575	11.0
71.01263	4.6
72.99166	1.0
73.02808	2.1
83.01232	1.0
85.02818	2.1
89.02318	2.7
93.03325	1.4
101.02324	3.7
104.95037	1.1
112.90348	1.2
113.02347	2.3
133.02733	1.3
161.04517	1.3
173.04485	1.5
191.05550	4.0
245.09653	1.2
293.10864	1.2
323.38171	1.1
388.62622	1.3
395.23206	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60271	0.3
57.03327	0.3
59.01251	13.2
69.25509	0.3
69.36084	1.5
69.36512	1.2
71.01249	4.1
72.99195	0.5
73.02811	0.8
85.02819	1.7
87.00764	0.5
89.02323	0.9
93.03358	0.7
93.73830	0.3
95.01260	0.6
96.95859	0.4
97.02848	0.3
99.00790	0.3
101.02327	0.8
108.02030	0.7
109.02843	0.9
109.99985	0.6
113.02325	2.6
119.03345	0.4
122.03635	0.5
123.00816	0.4
123.04422	0.3
123.08074	0.4
124.01554	11.7
125.02391	1.3
132.02080	0.4
135.04379	0.4
136.01659	0.3
137.02344	27.4
138.02713	0.8
149.02344	0.4
150.03137	13.6
151.03615	0.4
163.03902	0.5
163.07365	0.3
165.09113	0.6
173.04442	0.8
173.05998	0.4
174.64774	0.3
175.07590	0.9
177.05383	0.4
178.06259	1.8
182.66350	0.3
191.05635	0.4
191.07092	3.2
192.07756	1.2
193.08635	100.0
194.08974	6.4
202.83142	0.3
217.08673	0.8
337.12930	0.4
337.38220	0.3
393.50287	0.3
397.14954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02281	16.4
59.27910	18.5
69.61774	100.0
69.62185	29.0
79.19991	17.7
82.80200	19.3
82.96125	16.6
88.25304	16.0
96.95880	18.5
290.33347	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02067	0.5
54.55251	0.6
59.01255	100.0
60.01604	1.3
61.99442	0.7
64.71252	0.6
71.01252	3.2
73.02828	1.2
83.01262	0.8
85.02843	2.1
87.00782	1.2
89.02333	1.8
93.03348	1.4
96.86319	0.6
101.02348	2.7
111.56287	0.6
113.02389	1.5
119.03444	0.8
135.04474	0.9
139.24785	0.6
148.97885	0.6
151.23045	0.6
161.02454	0.7
161.04489	0.8
191.03561	0.8
191.05591	2.2
205.05081	0.8
293.16174	1.4
373.87033	0.6
395.09451	1.1
395.18991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.3
59.01255	16.6
61.98708	24.6
62.56238	3.0
71.57885	4.8
74.16245	3.1
76.59413	2.9
78.95779	19.9
83.04868	4.7
96.95892	20.9
108.10492	3.3
110.98433	24.7
121.06451	4.7
123.04440	8.3
123.08078	16.0
125.09624	8.9
135.08028	3.6
139.11209	6.3
141.09167	3.4
151.11212	5.1
152.99524	7.4
153.09253	3.1
169.95961	2.9
171.10190	3.3
175.11107	3.2
185.02148	45.9
195.10170	2.9
199.13361	26.9
213.11293	100.0
214.11609	4.0
225.18561	13.8
226.12074	11.0
241.06850	3.0
241.86522	3.0
245.19080	12.2
269.17587	11.1
271.16895	3.3
282.18338	3.3
289.18091	56.8
290.18457	5.3
305.17566	6.4
306.18427	3.6
307.19159	46.7
308.19516	5.1
322.17789	4.5
323.12827	3.5
323.18649	55.3
324.19394	89.2
325.19760	9.3
356.18262	10.2
393.22278	6.1
393.27179	18.2
394.27026	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13650	1.0
55.01746	1.8
59.01248	3.6
71.01263	1.4
71.04894	14.9
81.03332	13.5
81.08698	0.9
83.04891	2.3
96.95912	1.4
99.00719	1.0
125.09613	100.0
126.09957	4.1
136.05191	1.4
151.07561	13.1
169.08615	76.1
170.08943	2.9
171.10182	12.2
223.16975	3.7
241.18056	27.8
242.18312	2.2
393.26517	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45981	1.8
58.00465	2.6
59.01251	36.4
60.91355	1.8
61.98695	13.5
70.26327	7.8
71.01266	13.6
72.99183	20.9
79.08012	1.8
85.72772	2.1
87.00780	2.2
88.50861	2.0
89.02341	12.4
92.22148	2.2
97.96646	1.9
99.00760	70.6
99.92466	13.7
101.02352	1.9
110.98409	2.9
113.99479	2.2
115.00253	25.3
115.91975	10.6
116.92747	15.3
117.01830	8.9
135.04410	2.4
166.19337	2.0
185.02162	4.7
192.34988	1.9
225.18451	1.8
231.21150	4.3
245.39284	1.8
275.20163	100.0
276.20413	8.1
277.21704	4.5
300.70084	2.0
303.23352	24.5
304.23730	2.1
331.22739	2.1
333.20749	1.9
375.12646	3.5
375.21606	2.1
393.14111	4.0
393.22873	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02048	3.5
59.01257	54.5
61.98698	5.4
63.16954	3.2
64.03268	3.4
68.86172	3.4
69.29398	33.4
71.01257	16.4
72.99175	4.8
77.21120	3.1
86.89932	3.8
89.02330	17.3
91.00858	4.2
96.49702	3.1
96.95885	4.9
99.00748	32.8
102.13219	3.4
113.99451	4.1
115.00259	12.8
117.01808	32.1
228.32521	3.2
275.20145	100.0
276.20465	10.3
303.23087	7.9
331.19135	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	22.2
59.88329	2.9
61.98698	9.5
64.19405	3.3
69.03323	2.9
71.49797	5.7
83.01269	17.6
93.03344	3.6
96.95881	7.8
105.25917	2.9
106.04137	3.9
115.05397	3.6
121.02809	8.7
125.09596	4.6
127.11211	3.1
137.09625	6.4
139.11140	3.7
147.11719	8.1
159.11703	58.0
171.04391	4.9
171.08762	5.7
171.10191	94.2
172.10448	3.3
175.11166	7.6
177.12788	4.5
185.11765	5.6
191.10707	10.0
195.13716	3.7
196.91052	3.5
201.11285	19.9
203.10719	100.0
204.10976	5.1
233.11549	6.4
249.22368	3.6
255.06664	22.4
262.11841	9.7
293.21268	52.6
294.21585	3.4
311.22327	84.9
312.22678	8.3
313.21716	10.8
315.19528	8.6
333.20450	82.3
334.20468	5.1
357.20575	6.7
375.21588	6.1
393.17084	14.4
393.22406	6.2
394.17215	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.2
59.40248	2.1
60.33859	2.3
61.98707	42.3
63.75842	2.3
69.88531	10.2
71.01266	2.7
72.07264	2.3
74.93562	2.1
78.95784	8.3
83.01263	8.6
83.75185	2.3
88.22604	2.0
88.98627	2.4
96.95883	4.1
104.34647	2.2
108.02005	2.5
115.05468	2.8
121.02856	5.2
126.53882	2.5
136.92033	2.3
137.09605	3.2
139.11214	4.9
147.11658	5.7
155.06354	2.2
159.11713	42.1
160.11980	2.8
169.46053	2.1
171.10191	100.0
172.10498	7.5
172.11920	2.2
175.11194	7.5
185.11778	3.1
191.10730	5.3
201.11266	10.8
203.10725	97.4
204.11050	7.9
242.01320	2.5
289.21579	4.5
311.22162	7.8
313.21878	14.9
331.22705	4.6
334.17963	2.4
357.20731	8.9
375.21677	8.0
393.17065	11.5
393.22583	4.3
395.83905	2.3
400.42834	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98228	1.6
59.01260	11.6
61.98702	21.5
69.03320	1.8
70.99092	3.8
71.01253	3.1
72.02030	1.6
73.08768	1.7
78.95792	3.1
81.03344	2.8
83.01260	10.6
84.02023	1.8
85.02823	1.9
91.05392	1.6
93.03338	3.5
97.02826	4.5
106.04108	2.3
111.02934	1.6
115.05378	2.4
119.04913	2.0
119.08527	1.9
121.02857	6.0
125.09600	2.7
125.77441	1.6
135.04315	2.1
137.09619	2.4
147.11684	6.9
153.30833	1.7
159.11682	29.5
160.12086	2.3
161.09557	3.3
163.11162	3.0
171.10185	73.9
172.10509	3.1
175.11131	10.2
179.10641	2.2
185.11758	9.9
191.10698	6.3
193.08400	2.2
193.12183	2.8
197.11533	2.1
201.11275	3.5
203.10704	100.0
204.11086	7.5
218.50261	1.8
225.08133	1.8
269.22778	6.1
271.20679	2.8
287.20282	3.1
289.21725	7.2
303.23196	3.0
311.21893	3.3
313.21790	23.3
314.22104	3.2
315.19418	2.4
331.22763	4.8
333.20605	4.9
357.20612	21.1
375.21704	10.4
393.17209	2.3
393.22958	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.8
59.01237	2.1
71.01238	1.6
71.57643	0.9
73.02818	56.6
74.03156	0.9
78.95774	1.9
88.49413	0.6
89.09355	0.6
96.95885	2.3
99.00757	57.8
100.01104	1.3
110.98371	0.7
117.01823	100.0
118.02155	2.1
121.10108	4.4
125.15735	0.5
139.55504	0.5
152.99474	1.9
171.10178	12.7
185.02158	1.7
186.57939	0.6
231.21167	1.6
275.20148	18.4
276.20639	1.7
293.21240	20.2
294.21619	1.9
393.23004	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80165	4.2
59.01247	32.0
61.98687	11.1
71.01255	23.0
80.80981	4.4
96.95878	15.1
98.20574	9.7
99.92449	14.6
101.02314	5.6
115.91953	11.7
116.92756	11.2
125.09636	8.0
135.04416	23.8
156.96738	4.3
165.01634	8.4
193.08348	4.8
205.60536	5.2
222.08682	100.0
236.10237	26.0
254.07648	9.3
275.20059	8.0
282.09583	69.5
283.09628	6.9
311.22333	49.8
319.07083	5.5
333.20483	69.3
334.20856	5.7
351.20169	12.7
393.21436	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03319	1.7
58.00480	0.5
59.01252	100.0
60.01590	1.4
63.55289	0.4
64.46261	0.5
65.01318	0.7
66.23212	0.4
71.01256	16.2
72.99197	1.0
73.02821	5.0
83.01263	2.7
85.02827	8.2
87.00761	1.4
89.02316	5.4
93.03368	0.6
95.01291	1.4
98.20586	1.1
99.00769	1.4
101.02325	11.4
113.02332	8.3
119.03419	1.8
124.24893	0.5
125.02357	0.5
129.01875	0.7
129.28935	0.5
133.19550	0.5
143.03424	1.2
143.10667	1.3
159.02895	1.1
161.04488	5.2
165.03983	0.9
171.05626	0.6
172.04024	0.5
189.14885	6.7
191.05602	1.1
276.21912	0.5
292.03076	0.8
328.22537	0.6
333.19208	4.6
351.20218	15.7
352.20743	1.6
390.99188	0.5
393.21432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19046	1.0
57.03310	2.4
59.01250	24.6
61.98705	25.1
62.67179	1.0
66.10624	1.2
69.03338	1.9
69.75972	4.9
69.76392	2.8
71.04881	1.2
83.04915	1.4
96.95902	3.5
97.02826	2.4
97.06508	2.2
99.08032	2.8
99.92447	2.7
113.09597	6.8
115.02225	1.2
121.10111	2.3
121.16338	1.0
125.09635	2.9
127.11164	2.4
135.04449	1.5
137.09593	1.2
139.11189	34.0
140.11499	1.8
153.09047	1.4
155.10701	2.0
165.12759	6.3
167.10547	1.9
171.10175	33.0
172.10503	1.5
179.10493	1.2
185.11729	2.2
189.32367	1.1
193.08363	15.6
195.13927	1.5
201.11261	2.5
207.09970	25.5
211.13261	2.8
215.10509	3.4
219.09998	1.6
233.11551	25.5
249.22025	1.1
251.11592	1.6
263.20370	1.2
293.12415	2.4
293.21249	18.3
294.21570	2.4
311.22284	100.0
312.22696	10.4
315.19333	2.8
333.20544	9.4
363.16083	1.4
377.19449	2.5
393.17004	4.9
393.21954	11.3
394.22470	1.4
404.12277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03319	1.7
58.00480	0.5
59.01252	100.0
60.01590	1.4
63.55289	0.4
64.46261	0.5
65.01318	0.7
66.23212	0.4
71.01256	16.2
72.99197	1.0
73.02821	5.0
83.01263	2.7
85.02827	8.2
87.00761	1.4
89.02316	5.4
93.03368	0.6
95.01291	1.4
98.20586	1.1
99.00769	1.4
101.02325	11.4
113.02332	8.3
119.03419	1.8
124.24893	0.5
125.02357	0.5
129.01875	0.7
129.28935	0.5
133.19550	0.5
143.03424	1.2
143.10667	1.3
159.02895	1.1
161.04488	5.2
165.03983	0.9
171.05626	0.6
172.04024	0.5
189.14885	6.7
191.05602	1.1
276.21912	0.5
292.03076	0.8
328.22537	0.6
333.19208	4.6
351.20218	15.7
352.20743	1.6
390.99188	0.5
393.21432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01585	1.0
62.21035	0.9
70.38772	0.7
71.01253	6.9
72.32207	0.7
72.97417	0.8
72.99189	1.5
73.02829	2.4
74.76759	0.7
75.00750	1.0
78.95809	1.3
82.02879	0.9
83.01257	1.0
85.02838	2.8
85.96556	0.8
87.00767	2.7
89.02315	4.7
93.03368	1.0
95.01257	0.9
95.15823	0.7
101.02327	4.6
113.02357	2.6
117.28647	0.7
118.28707	0.8
119.03389	2.4
135.88939	0.8
137.02406	0.7
141.70117	0.7
161.04431	1.2
173.04546	0.8
191.05602	1.9
193.19745	0.8
333.15408	1.9
343.98886	0.8
375.16824	1.1
393.17480	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24903	0.6
59.01254	100.0
60.01586	0.7
68.21498	0.6
71.58552	0.8
76.37316	0.7
96.35153	0.6
96.95923	0.8
133.71156	0.6
136.83571	0.6
174.73544	0.6
244.64221	0.7
301.86157	0.7
408.04938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.0
59.01250	100.0
67.01785	1.8
69.72347	2.8
69.72762	6.5
71.01262	25.3
72.99154	2.6
73.02831	4.6
75.00763	2.3
82.85710	1.7
83.01245	3.1
85.02813	9.4
87.00753	35.5
89.02313	16.4
91.69687	1.7
93.03349	5.7
101.02329	13.1
109.02831	1.8
111.04388	1.9
113.02312	6.4
113.58354	1.7
119.03381	7.6
125.02285	2.3
131.51352	1.6
134.06012	2.0
135.04387	2.2
143.03468	1.7
147.04410	2.0
149.83318	1.6
158.05763	1.6
161.04507	3.9
165.05510	1.8
173.04581	2.7
177.20288	1.6
179.05537	2.2
191.05542	15.7
192.05930	3.1
213.07610	4.9
220.06152	3.0
244.42854	1.8
274.79855	1.7
303.06110	3.5
322.74374	1.7
333.15460	9.4
351.16721	2.3
393.17719	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.9
61.98695	1.1
62.94410	0.5
69.22681	5.3
71.01256	0.6
72.99171	0.8
79.98685	0.4
82.34438	0.4
91.05407	0.9
96.95870	1.1
99.00739	2.6
99.92461	77.0
100.90317	0.7
100.92484	4.1
100.93252	3.6
109.02791	1.2
114.94813	0.6
115.00238	0.7
115.91962	59.2
116.92742	100.0
117.92773	5.8
119.07617	0.4
119.08567	0.5
121.02844	0.8
121.10095	1.2
128.03600	0.5
131.91476	0.6
132.92252	0.6
135.04417	7.7
135.08047	1.0
154.21992	0.5
156.92258	0.6
158.56062	0.4
171.10088	0.5
187.15598	0.4
227.03853	0.5
230.99629	1.4
255.03299	0.9
256.06372	0.4
271.13388	1.2
275.20129	4.5
280.03848	0.5
287.02307	1.0
306.05695	1.1
307.06192	0.7
313.27933	0.5
328.07797	0.6
346.08685	0.5
347.43469	0.5
349.14697	0.5
357.11588	1.2
371.09586	3.2
372.10205	0.8
375.12659	24.8
376.12811	3.7
388.54840	0.4
389.10538	3.1
390.10898	0.7
391.62744	0.5
393.13742	23.2
393.22433	0.8
394.13867	3.8
407.11472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44738	0.4
59.01239	2.7
69.69975	3.2
72.06441	0.4
78.95767	3.8
81.18946	0.4
91.03473	0.4
96.96822	0.8
143.83131	0.5
152.99493	19.1
165.63310	0.6
174.96573	0.4
255.23264	100.0
256.23608	9.0
282.95209	0.4
391.22403	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77872	2.7
56.59174	2.5
59.01251	29.5
60.41920	2.5
61.76859	3.0
65.99729	3.9
67.01758	5.5
69.36944	2.5
69.63169	20.1
71.01248	6.0
71.16563	2.5
78.95788	6.1
80.94052	2.9
85.02807	12.1
87.00748	5.0
89.02318	4.8
93.03342	36.1
98.20528	4.7
101.02323	5.7
111.04393	6.3
119.04908	8.1
121.02821	3.2
133.02837	5.8
134.03653	4.0
135.04326	7.6
137.02316	8.1
147.04413	67.2
149.02322	4.4
150.03091	5.2
151.03915	4.2
155.03394	5.4
173.02284	4.5
173.04485	90.0
174.05518	46.4
178.02678	4.8
179.03316	4.2
191.03459	8.5
191.05539	52.0
192.05717	2.7
200.03490	19.8
218.04535	100.0
219.04889	6.2
345.13284	6.2
364.36813	3.1
392.09744	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11475	2.2
57.03329	2.2
59.01257	35.6
69.03323	3.3
71.04901	3.7
79.95642	3.5
80.02564	3.3
81.03349	5.2
83.00146	2.3
87.00766	3.7
93.03356	3.7
95.04903	5.2
96.95889	11.3
97.02811	4.9
98.14704	2.6
98.95517	3.4
99.92482	5.3
100.31479	2.2
109.02825	4.3
109.06486	7.6
111.08039	2.9
115.74155	2.4
123.08017	3.6
125.09645	6.5
137.09610	15.7
138.38559	2.5
139.11221	2.4
141.09033	3.8
152.04230	3.1
154.87358	2.5
163.11169	5.6
165.08904	2.3
165.12752	11.4
171.10236	10.4
179.10684	4.3
179.14487	2.6
183.13841	4.2
184.88405	2.6
187.09711	2.9
191.14342	2.9
193.08409	38.1
193.15956	2.5
201.11279	7.8
207.10030	6.3
209.11694	5.2
219.10020	4.4
221.11600	2.8
227.12839	5.9
231.10046	3.6
239.11502	3.3
245.19054	4.0
247.09508	6.8
247.20596	7.2
248.10271	17.1
273.18668	4.6
291.19669	93.1
292.20020	8.8
293.17548	7.3
309.20706	77.3
310.21030	8.0
313.17862	23.5
319.15515	2.4
329.17020	3.4
331.18939	100.0
332.19284	13.7
349.18637	6.2
355.17062	2.8
375.17950	4.2
391.20523	15.5
392.20471	5.7
397.65118	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.3
59.01252	40.2
60.31717	1.3
70.48831	5.6
71.01241	1.7
71.04890	15.5
79.95619	4.4
81.95197	4.6
95.04916	1.4
96.95901	15.6
97.02827	4.1
97.06469	4.6
98.20457	1.5
98.95478	17.1
98.96330	2.8
99.92432	2.5
101.26655	1.3
107.04930	3.1
115.22301	1.3
119.08603	1.5
121.02828	5.6
121.10101	13.1
121.10751	1.3
123.08031	2.0
125.09598	7.2
131.81842	1.5
137.09651	10.3
147.08064	3.8
171.10190	25.9
184.75090	1.4
185.11766	10.9
197.11816	3.5
207.09946	4.1
207.13857	1.8
235.17085	1.6
237.19226	1.6
245.19084	5.4
247.20454	1.6
251.16536	28.3
252.16803	2.4
255.13542	2.8
273.18591	1.7
283.13034	1.7
291.19669	58.3
292.19995	4.0
295.16907	1.6
309.20706	95.6
310.21008	9.7
311.16586	1.6
313.17847	100.0
314.18204	10.3
330.99164	1.3
331.18387	12.3
351.76544	1.4
373.18741	11.6
374.19153	3.0
375.17654	1.9
391.15634	9.8
391.21057	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56606	1.5
57.03313	3.1
59.01251	42.0
62.06623	1.3
71.01255	2.3
71.04891	12.1
79.95609	2.6
81.95174	3.4
91.48420	1.6
93.03336	3.1
96.95879	9.1
97.02798	1.5
97.06480	5.1
98.20583	2.6
98.90258	1.2
98.95477	11.8
98.96316	1.8
99.92440	1.3
107.04952	2.0
111.45196	1.5
119.08592	2.0
121.02851	11.4
121.10144	8.8
123.07978	1.8
125.09637	6.7
137.09634	9.1
147.08057	3.8
171.10194	27.6
185.11777	10.4
197.11726	3.4
207.10034	3.3
207.13707	1.7
227.18005	1.8
230.33467	1.4
237.15009	2.3
245.19048	6.5
251.16501	24.3
273.18585	2.1
291.14539	2.1
291.19675	51.2
292.20050	5.9
309.20697	86.5
310.20990	10.5
311.16254	1.8
313.17841	100.0
314.18195	10.6
331.18466	10.4
373.18787	9.7
374.18924	2.3
391.15881	8.2
391.20923	15.4
392.24515	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.1
59.01250	19.1
65.74832	1.0
69.03321	1.7
70.32761	2.2
70.33131	2.4
71.01247	5.8
71.17174	1.1
73.02833	1.1
73.80878	1.0
77.51460	0.9
88.40331	0.9
88.98680	2.6
96.95881	1.4
97.02827	2.4
97.06458	1.5
99.92505	1.5
100.54295	1.0
112.41055	1.2
123.07998	1.9
125.09634	5.6
126.13885	1.0
127.11129	1.8
137.09633	2.2
141.09109	6.5
144.06419	1.0
153.09111	1.9
153.12724	1.2
155.10704	1.2
165.01575	2.9
171.10182	6.2
181.08427	1.3
183.09946	2.1
193.08406	5.8
199.09708	3.5
200.10406	4.9
201.11208	4.7
205.03510	1.3
207.09959	2.1
209.07887	2.0
221.07848	1.3
222.08685	51.9
223.09384	10.1
225.07285	1.1
236.10194	4.3
247.20689	4.2
254.07666	6.5
263.20071	1.9
273.18497	2.4
282.09668	1.3
291.19653	7.1
292.20016	1.6
301.17914	3.4
303.19409	5.5
309.20706	100.0
310.21106	9.3
313.17755	4.9
331.18906	64.8
332.19244	6.0
349.18497	4.1
375.17673	1.3
391.15390	1.7
391.19897	10.9
392.20129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70579	0.6
55.54398	0.6
59.01254	7.3
69.03323	6.0
71.19309	0.6
75.75996	0.6
83.04903	1.1
99.92451	1.5
108.05673	1.8
119.08560	7.0
120.29205	0.7
125.05904	0.6
125.09634	3.2
127.11166	0.9
135.08040	1.7
137.09618	41.3
138.09970	2.1
161.74155	0.7
165.08870	2.4
166.14578	0.6
167.10358	0.8
171.10179	39.3
172.10535	1.8
191.06850	1.1
193.08392	100.0
194.08727	5.5
201.11227	1.6
209.07860	1.3
211.03416	0.6
211.08125	1.3
229.62407	0.8
253.09248	3.5
291.19614	1.8
309.20691	14.4
310.21011	1.9
331.17767	6.6
391.20035	2.5
391.29242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01608	0.8
71.01257	9.2
73.02832	1.7
77.32922	0.7
83.01248	1.3
85.02831	2.9
87.00751	0.8
89.02320	5.6
91.78751	0.8
94.88242	0.7
95.01315	1.1
96.33747	0.8
101.02322	5.9
105.59461	0.7
113.02354	2.9
114.40364	0.8
119.03399	2.3
161.04483	2.5
172.01152	0.9
179.05554	1.6
223.69565	0.8
331.17645	2.6
349.18600	4.5
351.60333	0.7
391.19897	1.7
391.27106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17299	0.6
59.01254	100.0
60.01618	1.3
69.69438	0.6
70.92416	1.2
71.01266	1.4
73.02811	1.2
79.95626	4.2
85.02803	0.7
104.21648	0.8
113.02431	0.8
116.21120	0.6
135.04465	1.1
159.04370	1.2
166.91219	0.6
173.04500	0.9
182.26489	0.7
191.05594	0.8
391.18210	2.5
391.26559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50777	0.7
57.03322	1.8
58.00451	0.6
59.01254	100.0
60.01587	1.3
71.01256	30.3
72.99186	1.1
73.02821	35.3
83.01262	10.6
85.02822	5.2
87.00760	1.6
89.02316	11.9
89.02830	0.9
93.03342	0.8
95.01295	2.0
95.80388	0.7
97.02798	0.8
98.20576	1.3
101.02327	33.8
102.02621	0.9
113.02341	13.8
119.03385	5.7
125.02338	1.6
126.99469	2.8
131.03406	3.8
133.01472	0.8
135.04477	0.8
137.21277	0.9
143.03368	3.8
149.04442	4.4
155.03484	0.9
161.04491	11.3
166.30922	0.7
173.04465	0.9
176.03903	0.8
179.05576	1.8
187.13321	5.0
191.05624	2.2
203.05533	0.9
221.06706	1.6
229.31750	0.8
277.87744	0.7
331.17661	7.7
349.18716	4.1
355.32217	0.8
361.25986	2.7
373.26141	1.3
388.80594	0.8
391.19769	5.2
391.26965	17.1
392.20383	1.2
392.27271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01607	1.6
69.41776	0.7
71.00903	0.8
71.01245	5.0
71.58975	1.2
73.02826	1.9
74.25033	0.7
75.00699	1.0
79.95174	1.0
79.95615	13.2
80.96395	1.5
83.01259	1.7
85.02844	1.8
87.04391	9.0
89.02305	1.8
93.03353	0.9
96.95902	0.8
99.00739	1.3
101.02306	2.1
109.11516	0.7
113.02380	1.5
128.11172	0.8
135.04385	1.1
161.04436	1.7
169.12030	0.8
173.04533	1.5
186.06763	0.9
191.05495	1.1
237.81508	0.7
243.24165	0.8
266.44061	0.8
280.16776	0.8
349.18100	0.9
391.18066	7.9
391.26996	5.5
392.18152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01250	100.0
60.01595	1.3
71.01251	7.6
72.16284	0.4
72.99183	0.8
73.02811	2.6
73.38262	0.4
78.59905	0.4
78.81995	0.4
83.01263	0.9
85.02827	3.2
85.42602	0.4
87.00771	1.1
89.02317	5.9
93.03326	2.2
95.01266	0.5
98.20549	1.2
101.02322	5.4
111.04404	0.8
113.02319	3.3
119.03397	2.8
129.33727	0.4
129.47353	0.4
135.04405	2.0
137.55447	0.5
143.03441	0.7
145.35417	0.4
161.04485	1.6
173.04488	4.7
179.03450	0.4
179.05626	1.1
187.13358	0.6
191.05534	9.4
192.05917	1.1
229.46466	0.5
259.23596	0.4
331.17682	1.8
332.18152	0.4
349.18793	3.1
353.08905	1.5
391.06317	0.5
391.15506	0.8
391.19891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69767	0.7
55.01764	1.1
57.03319	11.2
59.01252	100.0
60.01588	1.4
69.03334	2.0
69.34318	3.7
69.34747	4.0
71.01252	18.4
72.99190	1.1
73.02821	12.0
81.68188	0.8
82.35617	0.9
83.01250	2.6
85.02816	6.4
85.06463	2.1
86.03905	0.7
87.00765	1.6
89.02316	7.0
93.03330	2.4
95.01279	1.5
97.02864	0.7
97.06484	2.2
99.00745	1.0
99.83751	0.9
101.02323	13.2
109.02815	0.9
113.02341	4.9
119.01564	0.8
119.03383	3.3
121.02843	1.2
123.08073	1.6
125.02396	1.1
125.09619	2.5
135.04420	2.7
137.09560	0.8
142.06497	1.3
149.04443	0.7
153.12706	0.9
161.02338	1.0
161.04471	5.6
164.07054	1.7
169.08624	1.0
170.06123	1.2
173.04491	2.6
173.11815	1.0
176.03951	1.6
179.03378	1.1
179.05472	0.9
179.68211	0.8
186.06819	1.6
187.09683	7.7
187.13326	1.9
191.05492	6.8
213.14923	1.3
253.19612	0.9
299.22504	1.3
317.23456	1.2
331.17596	9.0
345.26627	1.5
349.18600	3.1
356.09875	0.9
373.18762	0.8
391.19843	5.6
391.27036	49.9
392.27374	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03327	17.1
59.00949	2.6
59.01253	46.1
67.01765	2.5
71.01256	29.8
71.12347	4.0
72.99173	3.3
73.02805	5.2
83.01281	2.1
85.02831	15.0
87.00755	4.7
89.02320	24.8
93.03329	4.8
95.01260	2.1
95.04904	4.3
97.02819	2.4
97.06468	24.1
99.00784	2.0
101.02328	19.3
109.06478	4.2
111.04414	3.3
113.02328	14.1
113.05993	1.9
115.26988	1.3
119.03401	10.1
121.06507	2.7
123.08057	61.6
124.08373	1.6
125.02303	2.2
135.04424	5.8
145.02856	1.8
147.04350	1.9
149.09627	9.5
155.97220	1.3
159.02904	1.5
161.04427	3.8
167.10701	15.5
173.02345	4.7
173.04546	5.3
174.05511	2.3
179.03397	2.2
179.05550	2.3
183.10278	1.6
191.05540	56.4
193.08630	3.5
200.03477	14.2
211.09706	100.0
212.10077	6.9
218.04585	7.8
262.96533	4.7
391.16135	12.0
392.09775	5.6
392.16324	2.1
398.45151	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.8
59.01252	51.9
60.51569	2.6
68.75347	2.5
69.03302	3.6
69.93607	9.6
69.94020	5.4
73.93983	2.8
75.00758	12.2
80.02543	4.5
81.03346	4.8
83.01275	12.4
83.04926	5.7
95.04912	7.0
97.02846	3.7
97.06474	11.0
101.23554	2.5
109.06451	3.0
123.04413	9.7
123.08024	6.9
125.09589	17.4
135.08086	4.3
137.09625	9.2
141.12720	3.0
149.05977	3.8
151.11179	3.6
163.07552	4.0
163.11198	21.3
165.12808	13.5
167.10692	3.1
175.07388	3.5
181.12346	3.5
185.11783	10.1
189.12849	2.9
191.10667	3.7
191.14308	18.8
207.10211	11.6
209.11801	88.4
210.12093	6.1
225.11279	13.8
227.17918	3.3
231.09991	59.9
233.11702	4.0
245.19049	38.7
247.20753	4.6
285.18393	3.7
289.18079	100.0
290.18457	11.2
291.12183	3.3
291.19659	21.8
294.87103	2.7
307.19131	56.4
308.19617	6.1
317.17542	7.9
329.17508	12.5
389.19519	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63138	21.3
59.01248	100.0
71.21475	53.6
98.99303	23.5
112.21489	23.6
138.73871	28.6
177.07800	22.3
180.37694	23.8
265.54276	22.5
381.11221	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
59.01250	20.1
59.48850	1.4
61.55046	1.3
61.98704	3.6
65.00254	1.8
65.16210	1.2
66.84838	1.5
67.93513	1.4
69.86591	6.8
71.01255	4.1
71.04899	10.5
76.06503	1.3
77.74683	1.6
78.95779	1.9
80.02547	1.5
81.03310	3.9
83.04905	2.8
85.02770	1.6
93.03339	5.1
95.01271	3.6
95.04913	3.5
96.95872	3.8
97.02817	2.3
98.03578	2.4
99.64777	1.7
99.92459	3.9
106.04161	1.7
107.04911	2.9
107.08509	2.0
108.02056	1.7
109.02842	3.0
109.06477	12.6
111.04414	17.7
111.07998	2.1
112.05208	1.7
121.02847	2.3
121.06483	3.3
123.08035	3.7
124.01598	1.9
127.07557	4.1
133.02858	1.7
135.04398	4.7
137.02274	1.6
137.05986	1.9
137.09624	2.8
143.10643	2.6
145.06503	2.6
147.04376	1.7
149.05991	9.4
149.09581	1.9
151.03897	2.1
163.11162	1.5
167.10684	1.9
171.10226	1.9
195.13855	4.3
215.10410	2.3
217.12115	3.3
219.10190	1.6
235.13379	2.5
239.06078	1.4
245.19077	7.3
247.09499	3.5
249.11046	6.1
255.03061	1.7
257.11533	11.3
271.13037	2.3
273.14722	2.3
279.11575	6.3
284.03253	2.1
287.16397	2.7
287.61353	3.2
288.11957	16.3
289.18091	100.0
290.18463	9.6
300.13446	4.2
301.16644	2.7
307.19125	10.8
311.16327	6.6
329.17261	70.3
330.17139	6.6
345.20615	2.1
369.14615	1.7
389.19730	4.6
390.15390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
59.01250	20.1
59.48850	1.4
61.55046	1.3
61.98704	3.6
65.00254	1.8
65.16210	1.2
66.84838	1.5
67.93513	1.4
69.86591	6.8
71.01255	4.1
71.04899	10.5
76.06503	1.3
77.74683	1.6
78.95779	1.9
80.02547	1.5
81.03310	3.9
83.04905	2.8
85.02770	1.6
93.03339	5.1
95.01271	3.6
95.04913	3.5
96.95872	3.8
97.02817	2.3
98.03578	2.4
99.64777	1.7
99.92459	3.9
106.04161	1.7
107.04911	2.9
107.08509	2.0
108.02056	1.7
109.02842	3.0
109.06477	12.6
111.04414	17.7
111.07998	2.1
112.05208	1.7
121.02847	2.3
121.06483	3.3
123.08035	3.7
124.01598	1.9
127.07557	4.1
133.02858	1.7
135.04398	4.7
137.02274	1.6
137.05986	1.9
137.09624	2.8
143.10643	2.6
145.06503	2.6
147.04376	1.7
149.05991	9.4
149.09581	1.9
151.03897	2.1
163.11162	1.5
167.10684	1.9
171.10226	1.9
195.13855	4.3
215.10410	2.3
217.12115	3.3
219.10190	1.6
235.13379	2.5
239.06078	1.4
245.19077	7.3
247.09499	3.5
249.11046	6.1
255.03061	1.7
257.11533	11.3
271.13037	2.3
273.14722	2.3
279.11575	6.3
284.03253	2.1
287.16397	2.7
287.61353	3.2
288.11957	16.3
289.18091	100.0
290.18463	9.6
300.13446	4.2
301.16644	2.7
307.19125	10.8
311.16327	6.6
329.17261	70.3
330.17139	6.6
345.20615	2.1
369.14615	1.7
389.19730	4.6
390.15390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50557	3.6
56.74800	2.8
59.01251	18.5
60.30813	3.0
64.59097	3.3
69.03333	4.3
71.01258	6.2
90.27531	2.9
97.06474	6.5
107.08563	6.8
109.02886	3.6
123.04365	3.7
125.09592	10.1
135.08031	6.0
137.09604	7.9
141.09122	7.9
171.10196	8.3
183.13947	3.9
199.09708	14.5
207.10068	18.4
209.07999	16.8
213.38077	3.2
222.08734	8.7
245.19057	11.8
261.18665	4.5
285.11017	3.7
289.18094	16.8
301.17725	5.0
307.19174	100.0
308.19504	10.1
311.16251	10.1
329.17313	87.9
330.17657	5.6
331.18707	3.6
347.17087	5.6
389.18332	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42489	4.0
55.01742	4.9
57.03318	10.5
59.01250	50.3
64.76445	3.9
65.03836	73.2
67.01744	5.2
70.69843	7.3
70.70238	9.0
70.85594	3.4
71.01257	7.8
71.04892	31.4
74.14668	3.5
78.95775	46.9
79.95609	59.8
80.96400	10.7
92.41616	3.5
93.03339	7.6
96.95891	87.4
97.06472	64.2
109.02845	53.2
119.08569	11.6
121.06484	94.3
122.06783	5.7
125.09601	54.3
135.08032	3.9
139.11188	5.7
151.03896	22.5
162.60544	3.9
171.10172	11.6
179.10501	7.5
185.11755	73.5
189.12848	30.3
191.03761	5.3
199.02805	4.1
207.09967	97.1
209.11774	33.4
211.13330	37.2
218.36067	4.4
223.13800	4.1
235.13364	85.0
236.13614	7.9
257.11581	88.8
257.18494	3.8
258.11871	7.0
259.38083	4.1
289.18115	26.8
302.50812	4.5
307.19150	44.8
311.16263	9.6
329.17175	100.0
330.17276	5.2
389.16116	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01757	1.8
57.03312	2.7
58.00446	2.4
59.01252	100.0
60.01583	1.7
61.01648	1.5
65.89363	0.8
69.03316	1.0
69.58324	1.5
69.58730	4.6
71.01255	53.3
72.01577	1.7
72.99174	4.6
73.02821	9.2
83.01265	6.9
85.02821	16.1
87.00726	3.0
88.60213	0.9
89.02319	39.0
90.02671	1.1
93.03313	1.3
95.01243	3.3
99.00746	3.1
101.02324	40.9
102.02624	1.8
109.02853	2.3
113.02337	21.5
119.03397	15.7
123.08022	1.0
125.02331	0.9
131.03334	2.0
137.02304	2.7
139.03897	1.3
143.03340	1.7
149.04399	1.3
149.09581	1.1
154.06213	2.3
159.02875	1.3
161.04478	8.7
165.05539	1.0
167.10596	1.0
173.04503	1.6
173.06041	0.8
179.05518	1.8
185.11662	2.0
191.05501	2.2
209.08066	0.9
209.11758	12.5
227.16269	1.1
327.08737	2.2
329.15906	2.5
347.16940	3.8
361.18585	1.7
389.17966	78.0
390.18365	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56610	1.1
55.01755	2.1
57.03321	2.5
58.00464	2.1
59.01252	100.0
63.82008	1.3
69.03323	2.6
71.01257	49.6
72.99164	2.8
73.02820	75.7
74.98991	1.4
83.01263	16.0
85.02824	8.2
87.00761	4.2
87.04379	1.3
89.02319	18.5
93.03423	1.3
95.01241	1.7
97.02806	1.5
99.00739	1.6
101.02325	46.3
113.02325	13.3
119.03371	4.7
121.10134	1.1
122.03616	5.2
123.75505	1.2
125.02338	3.2
131.03410	1.6
137.09584	1.3
155.03391	1.4
155.10808	1.5
161.04431	6.6
167.09282	2.3
167.10692	46.7
168.10968	1.9
169.12250	1.9
179.03342	1.3
185.11728	4.2
201.11227	3.0
207.10312	1.2
215.72205	1.3
223.81883	1.5
303.17993	2.2
313.11243	1.5
329.16080	7.6
329.19626	1.2
347.17117	27.4
348.17395	2.0
371.24243	2.5
389.18088	83.2
389.25372	29.5
390.18454	9.1
390.25775	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
51.42074	0.5
57.03319	1.5
58.00464	0.7
59.01253	13.2
69.03313	0.6
71.01260	5.4
73.02824	1.4
79.95609	1.7
82.39742	0.5
85.02835	2.9
87.04401	1.0
89.02331	3.3
95.01288	0.5
95.40850	0.5
97.06432	0.7
101.02328	2.4
111.08046	1.4
113.02338	4.2
119.03432	1.2
139.11147	0.5
161.04503	0.7
165.12769	25.8
166.13081	1.1
183.13832	88.2
184.14157	4.0
185.11768	1.5
197.15373	1.9
205.09480	0.6
207.13799	1.6
209.11795	2.8
215.12837	0.6
225.14893	2.7
227.12845	100.0
228.13147	6.1
229.97525	0.6
243.16040	1.4
251.12868	3.9
269.13898	1.9
279.13702	0.6
299.52087	0.5
331.92545	0.5
359.24142	0.8
371.24234	1.0
389.17981	1.0
389.19992	0.8
389.25421	12.4
390.25876	0.9
397.24597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
62.96286	0.2
69.88941	0.8
71.01248	0.1
78.95780	100.0
88.21680	0.1
96.96848	6.9
101.17109	0.1
107.64588	0.1
147.09792	0.1
158.33401	0.1
217.06299	0.2
286.39212	0.1
371.16006	0.2
389.17358	5.8
390.17725	0.6
404.67682	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.1
56.19823	0.7
57.03319	2.6
58.00468	2.6
59.01254	100.0
60.01583	2.2
61.01685	1.2
69.76656	4.0
71.01257	44.2
71.52803	0.7
72.01581	1.7
72.99183	3.1
73.02827	9.3
75.00760	0.9
81.03336	0.8
83.01265	4.2
85.02826	12.1
87.00748	3.7
89.02324	28.4
93.03365	1.8
95.01267	2.4
99.00766	3.2
101.02328	26.6
102.02659	1.6
109.02832	5.8
110.02337	1.2
111.08060	0.7
113.02340	15.2
119.03391	12.3
120.03686	1.1
121.03788	0.8
125.02333	1.3
131.03404	1.1
134.17786	0.8
137.02354	4.3
143.03400	2.8
149.09610	3.1
154.06323	0.9
155.75256	0.7
161.04504	4.3
165.09134	1.2
167.10663	1.4
173.04524	1.2
174.93709	0.8
178.33832	0.8
185.11765	3.2
191.05583	1.7
209.11736	7.0
217.05026	3.5
227.16542	0.9
327.08853	4.0
329.15985	3.4
344.51071	0.8
347.17133	6.9
389.17688	31.2
390.18500	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22102	1.6
59.01255	100.0
70.32515	3.7
70.32905	2.8
71.01254	9.5
85.02804	3.4
89.02326	9.2
90.10179	1.5
91.35443	1.6
101.02309	4.2
119.03429	3.2
137.02397	3.1
147.00864	1.6
149.05991	16.3
153.01775	2.1
165.01869	2.2
179.05638	1.9
185.10365	1.6
190.70392	1.5
209.00677	2.2
329.12430	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.7
63.96085	0.1
64.91417	0.2
71.01264	0.3
71.19032	0.2
71.19398	0.4
72.99194	0.2
78.95779	100.0
91.31160	0.2
96.96844	24.8
118.06496	0.7
121.02815	0.2
146.03522	0.2
164.07153	0.2
169.09784	0.2
176.35843	0.1
201.47972	0.2
252.03160	0.2
260.79834	0.2
288.90887	0.2
332.16046	0.7
371.16373	0.3
389.12424	0.3
389.17282	5.1
390.17664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01748	5.6
57.03321	4.5
58.99472	3.0
59.01254	77.4
69.56382	2.5
71.01253	61.8
71.90421	2.3
72.80946	2.8
72.99197	5.3
73.02827	14.8
75.00755	3.9
83.01244	7.5
85.02824	24.0
87.00763	5.2
89.02322	22.8
95.01276	3.4
98.19749	5.0
99.00763	6.1
101.02327	43.2
109.02850	6.8
111.00830	3.6
111.62202	2.4
113.02336	22.3
119.03391	9.8
120.40290	2.6
131.03397	5.0
137.02344	53.0
138.19969	2.6
139.00320	3.2
151.03841	2.5
152.04698	19.3
161.04514	6.2
166.03235	3.0
167.07117	4.0
179.03392	6.8
184.03763	4.1
191.05568	3.4
193.01378	3.2
197.04440	4.6
209.08124	8.2
210.08577	2.9
212.06883	27.7
227.09190	100.0
228.09584	7.6
237.73843	2.4
341.67883	3.2
389.11197	3.3
389.14618	52.9
389.19370	3.7
390.15118	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85649	0.7
55.01756	1.1
57.03317	1.9
58.00461	1.2
59.01252	87.3
60.01586	2.6
60.99170	0.8
61.01662	1.8
67.01756	2.8
69.03339	1.9
69.78867	1.9
69.79272	2.2
71.01255	28.1
72.01595	2.8
72.99203	1.8
73.02818	7.8
78.33852	0.7
81.03328	0.9
83.01265	3.1
83.04887	1.3
85.02829	15.0
86.03156	1.2
87.00749	6.5
89.01762	0.9
89.02315	17.6
90.02658	2.2
91.02755	0.9
93.03335	25.5
95.01270	2.3
99.00760	1.9
101.02321	16.9
102.02654	2.3
103.02767	0.8
107.01471	0.7
109.02911	0.8
111.04398	4.0
113.02327	10.0
114.02705	1.7
119.03396	7.8
120.03751	0.9
125.02323	0.9
127.03908	2.4
131.03384	1.3
135.04414	23.6
137.02356	1.1
137.09538	0.8
143.03418	1.0
152.08321	1.2
153.05507	0.9
153.08757	0.7
155.03409	1.6
161.02333	3.1
161.04422	3.9
162.04831	0.9
165.09055	0.9
171.02873	1.0
173.04471	25.6
174.04750	1.0
179.03424	7.9
179.05061	0.7
179.05585	0.7
190.13159	0.9
191.05547	100.0
192.05841	3.5
205.03799	0.8
226.15215	0.9
276.08807	0.7
295.57336	0.7
301.64508	0.8
307.33893	0.7
313.11923	1.0
329.16284	1.3
347.17209	2.4
353.08783	25.9
354.09045	2.8
388.20602	2.2
389.06396	3.4
389.13782	1.1
389.17975	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	76.0
69.69131	100.0
86.66911	13.5
89.02349	15.9
107.66431	16.3
141.34340	16.8
246.83105	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72036	6.8
59.01241	6.5
61.98701	66.1
63.76973	4.9
70.33475	20.7
78.95791	8.6
79.95612	24.3
80.96352	5.9
96.95882	100.0
97.02821	9.0
109.02834	6.3
151.03831	4.8
176.98573	8.3
178.13101	5.3
290.18420	6.3
297.86078	5.3
388.14917	15.7
389.16101	48.6
393.74310	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	44.7
63.15567	13.4
66.87563	13.3
69.77691	100.0
71.01248	19.5
72.50630	14.5
86.49941	16.6
94.00407	15.7
101.02327	18.2
105.19560	12.7
112.83955	15.1
149.00508	15.6
220.34154	15.2
300.25281	18.4
325.46786	17.6
343.26489	22.0
387.25421	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36858	0.3
55.01751	1.2
57.03326	1.2
58.00483	0.5
59.01254	100.0
60.01592	1.2
69.03337	0.6
70.46074	1.5
71.01257	17.2
72.99183	0.9
73.02823	5.5
75.00759	0.6
79.95627	1.4
83.01260	3.0
85.02824	7.7
86.86611	0.3
87.00769	1.0
89.02333	3.3
95.01280	1.3
97.02840	0.6
97.06496	0.9
98.19820	0.3
99.00771	2.9
101.02322	13.6
109.02850	0.6
109.06499	0.4
113.02330	7.1
114.02660	0.4
119.03422	1.4
121.02878	0.4
125.02337	0.7
131.03409	0.6
135.04449	1.0
143.03418	0.8
151.03931	0.6
159.02911	1.1
161.02417	0.5
161.04469	7.6
165.12781	5.9
166.13118	0.4
171.10236	0.8
173.04482	0.4
182.04552	0.6
183.04787	0.6
185.11858	0.4
191.05588	0.5
195.13881	0.7
242.35135	0.3
327.18155	3.0
345.19193	21.5
346.19391	1.9
387.14960	0.8
387.19507	0.5
387.23993	2.8
387.27969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01757	3.9
57.03326	4.6
58.00473	3.1
59.01254	94.1
60.01591	1.2
69.03324	0.8
71.01256	69.9
71.95435	0.5
72.01568	1.2
72.99174	4.4
73.02822	11.8
81.79015	0.5
83.01257	7.3
85.02823	21.7
87.00739	3.4
89.02319	47.6
90.02647	0.8
95.01258	4.5
97.02850	1.1
99.00769	4.4
99.42971	0.5
101.02325	50.4
102.02688	1.4
111.00824	0.5
113.02334	25.4
114.02665	0.6
119.03392	23.2
121.02823	0.6
123.08028	0.6
125.02379	1.3
129.01862	1.1
131.03419	2.3
137.09633	1.8
143.03424	3.8
149.04485	1.5
152.08354	1.5
153.12761	1.1
159.02919	2.1
161.04463	8.0
163.11195	0.6
165.09126	1.5
167.86708	0.5
172.66183	0.5
179.03964	0.7
179.05469	3.5
181.08646	0.5
181.12343	0.8
189.12749	1.2
191.05432	0.5
195.13843	2.0
197.15424	2.2
207.10323	0.7
207.13828	4.3
225.14917	22.7
226.15317	1.5
230.08855	0.5
230.11020	0.6
301.16656	0.8
327.14426	0.9
345.15411	1.3
353.26266	0.6
360.53223	0.6
387.20285	100.0
388.16516	0.9
388.20703	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10214	0.5
55.01751	3.2
57.03326	2.4
58.00464	5.0
59.01252	100.0
60.69206	0.7
63.42061	0.6
69.34942	1.4
69.35354	4.5
71.01255	77.3
71.51153	0.6
72.99169	4.5
73.02819	11.0
75.08190	0.7
76.05038	0.7
83.01250	6.0
85.02825	21.4
87.00758	3.2
89.02319	70.1
90.02681	0.9
95.01263	5.2
97.02843	1.0
97.61380	0.7
99.00751	4.0
101.02321	48.2
111.00720	0.6
113.02332	31.1
114.02675	1.0
119.03389	29.8
120.03796	0.8
122.03835	0.5
125.02352	1.6
129.01840	1.1
131.03400	2.0
137.09650	1.8
143.03435	4.0
149.04543	2.1
152.08350	5.4
153.09114	1.0
159.02963	2.7
161.04469	11.4
173.09709	1.7
179.05518	6.1
189.12776	16.2
190.13184	0.9
201.32556	0.6
205.03456	0.7
205.64644	0.7
207.13803	5.6
225.14902	6.8
284.15161	0.9
364.13812	0.6
387.16360	0.7
387.20316	15.9
388.20718	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.22879	0.6
57.03312	0.5
59.01252	100.0
60.01607	0.7
70.33125	2.6
71.01254	8.5
72.99199	0.6
73.02817	1.5
83.01284	1.3
85.02837	2.5
89.02308	4.5
95.01275	1.0
96.95893	0.8
98.19717	0.7
99.00805	1.1
101.02319	5.2
113.02339	3.0
119.03394	1.1
121.02912	1.1
123.04428	2.1
127.33336	0.7
147.08066	0.7
152.01105	0.7
153.01765	0.7
161.04480	3.2
163.11182	6.9
167.03500	1.0
173.04527	0.6
191.05594	1.5
225.07646	1.3
254.74307	0.7
327.14713	2.7
387.16699	14.3
387.21429	1.0
388.17001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.5
57.03329	5.2
58.00471	3.4
59.01250	84.0
60.01591	1.0
69.03318	1.2
69.74555	4.9
69.74971	2.0
71.01252	100.0
71.04877	1.2
72.01596	1.9
72.99167	6.5
73.02815	21.1
74.98972	2.4
75.00748	2.0
77.20237	0.8
78.93229	0.8
81.03275	0.9
81.06953	1.0
83.01265	7.2
83.04899	4.0
85.02824	34.3
87.00729	5.2
89.02316	60.9
90.02676	1.2
95.01280	6.6
96.95884	1.2
97.02831	1.5
98.19768	1.4
99.00763	7.8
101.02322	54.2
102.02631	1.3
109.11855	0.8
110.67938	0.8
111.00723	0.9
113.02331	40.8
119.03391	20.5
120.03767	1.3
121.10007	1.0
123.08046	35.2
124.08391	1.8
125.02390	1.5
131.03383	2.5
136.98997	1.7
137.09613	12.3
138.06755	0.9
143.03403	4.8
149.04500	1.8
149.13240	1.0
151.07533	0.9
152.01045	2.7
152.08333	2.1
153.01816	1.3
153.09099	2.4
155.08521	1.3
159.02916	4.7
161.04468	17.7
162.04837	1.3
163.11195	32.3
164.11494	2.8
167.03406	3.1
171.11737	2.6
173.09641	2.6
179.05553	5.1
182.05786	2.4
183.06502	1.5
189.12770	48.8
190.13107	2.8
191.05646	1.6
207.13840	72.4
208.14169	4.0
208.43777	0.9
225.14905	11.1
249.58281	0.9
387.16632	1.2
387.20438	14.9
388.20349	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1562
Annotation	GS-3
Peak:m/z	Relative Intensity
57.03330	0.7
59.01252	6.0
69.60252	3.0
69.60668	1.1
71.01242	2.5
73.02813	1.3
83.01265	0.7
85.02816	1.0
89.02305	0.9
93.03371	0.6
94.06488	1.4
101.02348	1.3
104.04942	0.8
107.03653	7.9
107.37463	0.6
113.02316	1.0
117.89332	0.6
120.04452	1.5
122.06007	47.2
123.06319	1.3
130.02852	2.5
131.03653	4.3
132.04454	7.4
134.06007	2.3
139.02652	2.9
146.06004	2.7
147.03149	1.1
148.03951	1.9
152.07079	100.0
153.07455	3.7
158.02385	10.4
160.03989	1.2
162.05513	5.6
163.03920	0.7
164.07108	0.9
166.05032	0.7
171.10231	0.6
173.04526	0.9
174.01978	0.8
176.03473	2.8
181.04907	0.6
190.05025	45.6
191.05408	2.7
192.06543	1.5
203.43614	0.5
222.07664	42.5
223.08052	2.6
224.56944	0.7
225.11394	0.6
234.07768	1.5
242.22284	0.5
249.06923	0.6
265.09680	0.6
270.32913	0.5
297.12509	0.7
355.12958	5.7
359.16211	1.9
387.15601	64.6
387.23090	6.5
388.15936	7.7
399.98782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
59.01251	9.3
69.27010	2.4
69.27443	3.3
71.01248	6.8
73.02821	2.1
83.01268	0.9
85.02815	3.7
87.00719	0.8
89.02301	3.5
93.03323	1.4
95.01260	1.9
95.04902	0.7
97.02788	0.5
99.00742	0.7
101.02322	6.0
102.61609	0.5
104.95679	0.5
108.02058	1.9
109.02851	3.4
110.93515	0.4
111.00774	0.8
113.02340	2.2
119.03380	1.3
121.02837	5.5
122.03606	1.5
123.00773	5.0
123.04458	1.0
124.01556	0.6
125.02353	1.6
125.09563	0.6
133.02800	1.1
134.03635	0.6
135.04439	1.0
136.01561	76.1
137.02365	18.1
139.03853	0.8
149.02377	1.2
149.06000	0.6
150.03099	0.8
151.00282	18.7
151.03912	100.0
152.01004	1.2
152.04248	3.8
154.02594	0.7
159.04422	0.8
160.05231	1.2
161.02322	1.2
161.04512	1.9
162.03140	2.2
163.03906	1.4
164.04758	0.5
165.01836	0.7
166.02621	41.5
167.03287	2.4
168.74287	0.5
175.03928	2.3
175.07555	1.4
177.01878	3.6
177.05495	1.9
179.03404	0.9
181.04982	64.2
182.05266	2.8
184.03737	1.2
189.05612	0.6
190.02698	0.9
190.06180	1.1
191.03459	0.7
192.04250	0.6
195.01187	0.6
195.02934	1.1
195.75174	0.6
203.07040	0.6
205.05043	1.1
205.08675	1.5
207.06526	0.7
225.14961	1.2
271.05997	0.7
281.96832	0.7
299.09222	1.3
329.10275	3.7
341.13928	1.4
357.09781	18.6
357.14203	1.0
358.10117	0.9
372.12119	15.1
373.12537	1.3
387.14548	36.0
387.19971	3.3
387.24466	3.8
388.14932	4.4
388.19629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	38.5
63.03974	0.6
63.55399	0.6
67.01758	0.7
69.03327	0.9
69.83656	3.5
71.01260	3.4
73.02803	1.1
80.75418	0.5
84.92173	0.6
85.02824	3.4
87.00757	2.0
93.03342	11.4
99.00761	1.3
101.02332	2.0
103.00254	4.0
108.02048	2.7
108.68713	0.6
109.02859	2.6
113.02330	1.9
121.02847	100.0
122.03184	4.3
123.04397	4.1
135.04350	0.7
137.02307	1.6
139.03932	1.2
147.02557	0.7
151.03926	5.6
152.01015	3.6
153.01872	1.9
161.04462	5.4
168.00595	1.1
173.04456	4.0
177.01871	0.8
181.04996	1.1
183.02867	0.8
188.71471	0.7
191.05547	14.8
192.06001	0.8
193.06010	0.8
195.02965	2.0
213.03983	0.9
221.06546	3.5
225.04004	0.8
343.10388	1.4
358.95108	0.7
369.08276	1.3
387.09482	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
51.17660	1.4
57.03321	1.5
59.01250	58.3
71.01254	32.9
72.99185	5.0
73.02818	2.3
83.01260	3.4
85.02823	10.2
87.00756	2.0
89.02315	37.1
93.03329	9.3
95.01282	3.1
96.95917	2.3
99.00776	2.5
101.02327	19.4
108.29745	1.4
109.02831	1.8
113.02328	15.5
117.94044	1.6
119.03387	13.3
121.02834	2.7
123.04414	13.0
125.02357	1.5
149.02344	5.4
149.04526	1.8
151.03908	3.4
152.01083	1.7
161.04439	4.2
163.07452	1.6
163.11217	11.3
165.05515	2.0
177.01831	32.2
178.02451	2.3
181.54033	1.5
191.05559	15.7
192.04211	43.0
207.06558	100.0
208.06943	6.6
225.07663	16.0
387.16818	28.1
388.16989	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	50.0
60.01585	2.0
71.01244	8.2
89.02319	5.7
93.03345	7.9
101.02345	6.4
103.00226	2.7
113.02370	2.8
121.02849	100.0
122.03199	5.4
123.04410	3.5
151.03952	2.8
161.04475	4.8
166.07660	2.0
181.05093	4.0
191.05507	4.2
213.80753	2.0
221.06625	4.2
225.07597	2.1
306.21237	2.0
315.94711	1.8
341.10895	8.8
387.09109	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	3.5
59.01253	61.5
66.48390	2.2
68.75178	1.7
69.32407	13.4
69.32830	6.1
71.01261	6.8
71.32751	2.0
85.02824	5.5
89.02314	5.4
93.03331	9.1
98.20522	3.4
100.24054	1.9
101.02336	4.8
103.00253	4.3
108.02093	2.0
109.02831	2.2
113.02332	3.2
121.02853	100.0
122.03225	4.7
123.04425	8.6
151.03896	4.1
152.01042	2.9
161.04500	7.4
162.74858	2.0
163.07597	2.2
191.05615	5.5
221.06635	2.1
268.39682	1.9
341.10947	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2232
Annotation	Oleandolide
Peak:m/z	Relative Intensity
58.00476	1.1
59.01250	7.7
62.76650	1.0
69.23744	5.1
69.24166	6.7
71.01243	2.8
83.00156	0.9
85.02831	1.4
86.68597	0.9
88.13441	0.9
89.02318	1.5
90.36681	1.0
91.03879	2.5
92.15718	0.9
93.59677	0.9
97.05489	0.9
97.06416	1.2
98.19773	2.6
122.03474	0.9
131.54094	1.0
135.04411	1.6
141.13670	1.2
154.40070	1.2
167.14294	3.2
171.10185	1.6
181.94925	1.0
187.09587	1.5
193.15900	1.5
201.11156	1.0
207.17509	1.9
223.20485	1.6
233.15372	1.4
249.18568	8.3
267.19641	100.0
268.20010	8.6
275.16559	11.5
276.17084	1.1
293.17599	75.2
294.17914	7.3
304.11581	1.1
311.18637	13.1
363.97269	1.2
367.21222	8.1
385.22256	50.8
386.22424	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01585	1.0
68.38773	0.8
71.01272	2.2
72.37423	0.7
73.02840	0.7
76.36585	0.6
82.87193	0.7
85.02830	0.8
93.45184	0.7
101.02375	1.0
118.20960	0.6
229.88850	0.8
305.04950	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
52.79753	0.8
55.01745	2.3
57.03314	4.1
58.00461	2.8
59.01252	63.1
65.23452	0.8
69.76966	2.0
69.77373	4.8
71.01254	71.0
72.01553	1.2
72.99181	3.8
73.02824	13.6
79.98758	0.8
83.01254	4.8
85.02826	23.8
85.76103	0.9
87.00737	3.1
89.02322	32.5
95.01267	5.6
95.04900	2.8
97.02843	3.9
99.00751	5.9
101.02323	32.2
108.05701	2.4
109.02839	1.1
109.06488	2.1
111.04414	1.5
113.02334	22.8
113.05954	3.3
119.03413	9.9
122.03631	1.9
123.08045	3.5
125.05988	3.4
131.03413	1.6
134.59395	1.0
135.07974	1.1
136.05215	2.7
137.05980	1.8
138.06766	22.9
139.07573	10.0
143.03407	2.0
147.08096	1.1
151.07555	22.3
152.04701	1.8
152.08340	45.3
153.09122	100.0
154.09462	4.6
159.02907	3.8
160.75334	0.8
161.04465	11.5
162.04666	0.9
163.11198	3.6
165.09077	1.4
167.07030	1.9
179.05467	2.0
181.08595	3.4
190.10019	1.2
205.12283	30.0
206.12552	1.9
223.13367	12.2
385.18665	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41158	0.5
58.78653	0.4
59.01253	100.0
60.01568	0.7
68.76423	0.4
73.02835	0.8
80.81127	0.4
89.02320	0.6
98.19785	1.5
101.02351	0.8
113.02354	0.6
153.25995	0.5
221.08243	0.8
385.14108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03086	1.0
57.03327	11.1
58.00458	1.3
59.01252	32.1
62.27518	0.7
65.05308	0.6
67.93901	0.6
68.44456	0.7
69.03333	1.1
71.01251	20.6
71.58225	1.1
72.99184	5.6
73.02823	5.2
73.41444	0.7
75.00741	2.5
77.13599	0.7
79.10343	0.7
81.03344	0.9
83.01251	2.9
85.02823	5.2
87.00747	3.4
89.02316	9.8
93.03355	2.0
95.01252	1.5
95.04867	0.9
97.02892	0.9
99.00744	4.7
101.02325	14.4
101.62135	0.7
103.36275	0.7
105.01865	0.9
108.02077	2.2
109.02832	1.7
109.06490	2.1
111.04431	1.2
113.02316	6.4
119.03387	3.5
121.02827	1.7
122.03632	11.2
123.04392	1.4
123.08032	3.4
127.00281	1.8
128.03366	0.9
133.02858	1.0
135.04419	2.5
135.08026	1.1
135.92841	0.8
137.02356	4.3
137.05991	2.2
137.09605	1.0
138.05522	2.9
145.01326	2.2
146.04466	1.3
151.07597	0.9
151.11174	2.7
152.08360	1.7
153.05429	1.4
153.09113	5.1
154.02638	2.3
161.04413	1.3
163.02496	1.4
163.03931	1.8
163.07458	1.7
166.06245	3.2
173.04482	1.1
177.12828	1.6
179.03458	1.0
179.10728	1.0
179.12924	0.7
180.04181	0.8
180.07782	1.0
181.08624	100.0
182.08986	5.6
187.11278	0.9
191.05595	4.3
195.13817	6.8
205.08569	1.6
205.12276	4.1
220.76834	0.7
221.08182	0.9
221.11774	1.8
222.08742	1.6
223.09758	4.8
223.13295	1.5
239.12834	17.3
257.04547	1.8
287.10046	1.0
325.12900	7.6
343.14175	5.4
385.10629	1.3
385.15216	5.5
385.19168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85892	0.7
52.29186	0.8
58.10514	0.9
59.01250	100.0
69.03352	1.2
71.01254	15.9
72.99194	1.0
73.02819	4.4
82.66196	0.8
83.01263	1.2
84.22670	0.8
85.02843	3.8
87.00768	1.5
89.02316	10.2
93.03348	2.0
95.01266	1.2
95.58189	1.0
101.02335	7.5
108.02053	9.4
109.02877	2.4
113.02325	6.1
119.03391	3.9
133.77280	1.0
135.04460	1.5
137.02368	1.5
145.91234	1.1
152.01060	9.4
153.01726	2.8
161.09612	1.4
165.09039	1.0
173.04601	1.1
174.01511	1.2
179.03482	1.5
179.10687	3.2
182.65935	1.0
191.05554	2.8
203.48260	0.9
205.12273	5.0
223.09650	1.5
226.56201	1.0
229.26874	1.3
281.08887	0.9
343.71582	1.1
384.60773	3.4
385.10858	1.3
385.22391	2.9
404.62222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
59.01252	100.0
60.01580	1.3
62.75343	0.5
62.85722	0.6
69.50946	4.9
70.99171	0.5
71.01254	9.9
71.01620	0.9
71.04914	0.7
73.02813	3.0
73.76730	0.5
83.01276	1.4
83.04890	0.5
85.02827	4.2
85.06469	0.9
89.02343	2.2
93.03348	0.7
95.01273	1.1
95.04913	0.6
97.02832	0.7
99.04394	1.0
101.02342	3.8
108.02075	1.8
109.02861	1.7
113.02334	4.7
121.02863	0.6
121.06484	9.1
121.37104	0.5
123.04468	0.8
135.04424	1.6
137.02321	0.6
143.10657	0.6
148.05191	6.9
152.01053	0.6
153.09186	0.6
159.02954	0.7
161.04469	3.9
163.07559	5.2
169.92886	0.6
173.04514	0.7
174.01616	0.8
179.03429	0.9
179.10693	3.8
191.05554	1.7
200.94073	0.6
223.09747	2.8
242.99638	0.5
245.85228	0.6
281.04117	0.6
309.08868	0.6
315.07388	1.2
341.23358	1.3
371.69400	0.6
385.09500	1.0
385.22327	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21499	0.8
59.01251	100.0
59.28155	0.9
60.01583	1.0
61.33808	0.8
63.65499	0.8
71.01256	10.7
71.58649	1.2
73.02822	4.4
83.01254	1.3
85.02821	1.8
89.02314	6.1
89.20878	0.8
93.03329	2.2
100.55775	1.0
101.02309	5.0
113.02308	3.3
115.61460	0.8
119.03388	2.7
135.04439	1.3
135.11723	1.1
137.02350	2.6
150.92938	0.9
152.00996	1.8
153.09154	1.4
161.04395	1.4
161.09654	1.6
165.09105	1.3
173.04440	1.2
179.10701	8.4
181.12277	1.1
182.04503	2.5
203.10783	1.0
205.12219	2.7
223.09641	2.3
315.12906	0.9
385.22357	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.6
57.67226	2.3
59.01253	23.1
60.08959	2.1
71.01262	31.4
71.58049	3.3
72.99166	4.8
73.02829	5.8
75.00761	4.4
80.04922	2.5
82.77966	2.7
83.01259	6.2
85.02831	10.9
87.00742	9.4
87.71999	2.4
89.02325	10.7
90.00584	1.9
91.55202	1.8
93.03325	8.0
93.06931	2.2
95.04871	2.4
97.02819	3.9
99.00753	6.2
101.02336	10.6
109.02847	9.2
113.02328	10.1
115.00264	9.3
115.38994	2.5
119.03375	6.3
121.02824	18.1
134.03630	2.3
135.04411	10.2
137.02325	5.9
137.06001	29.3
139.00279	4.1
149.02351	52.7
151.00252	3.3
151.80492	2.9
152.01050	8.8
152.08368	2.9
153.01816	2.6
153.05450	4.0
153.09210	5.0
161.04520	3.0
163.03938	16.2
164.04715	32.8
165.01817	4.0
167.03314	4.2
173.04520	2.5
174.01627	19.7
175.02390	13.0
175.07539	6.9
178.99808	4.2
179.07132	11.4
179.10583	3.0
180.00504	3.1
181.04991	25.7
181.08589	3.6
191.05473	9.8
193.01358	23.9
205.08632	27.3
205.12209	3.4
206.99295	16.4
208.00087	16.7
208.03708	33.7
222.01624	4.8
223.02762	10.6
223.06076	100.0
223.09317	10.2
224.06360	7.7
282.83994	2.2
295.08218	5.5
325.09329	6.4
385.07910	3.8
385.11490	37.3
385.15573	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
51.52374	0.8
59.01254	5.4
69.25431	8.7
71.01257	5.8
72.99188	1.9
83.04893	1.8
85.02813	2.1
87.00751	0.9
89.02319	5.2
93.03342	2.2
96.95889	0.7
101.02316	2.9
109.02843	1.2
113.02331	1.6
119.03378	0.9
121.02843	7.7
123.04401	0.9
123.08034	0.7
135.04408	3.4
135.33447	0.8
137.02336	1.4
149.02342	43.2
150.02710	1.0
152.01056	7.1
161.00830	1.2
161.05957	1.0
162.06705	0.8
163.03954	6.6
163.07555	1.2
164.04701	29.3
165.01813	2.6
165.04991	1.5
165.09142	3.6
167.03433	0.9
169.04970	3.8
179.05646	1.5
179.07074	12.3
180.07684	1.2
181.05028	1.1
181.08571	2.3
190.02644	1.0
191.05519	2.4
193.01358	20.8
194.01721	1.4
205.05017	1.2
206.99181	1.0
208.03714	41.9
209.04105	2.5
223.06071	100.0
224.06416	6.9
385.11273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.1
59.01255	9.0
71.01264	4.1
71.57377	1.5
72.99174	1.7
76.97443	1.3
80.02570	1.3
83.01254	2.1
83.83188	1.5
84.02048	1.4
85.02827	100.0
87.00781	4.2
93.03365	7.1
101.02327	1.8
103.00247	3.3
111.04369	1.9
114.94418	1.6
121.02896	2.9
129.01874	7.9
130.37221	1.6
134.03653	3.9
137.02287	2.1
139.03929	3.4
147.02901	9.1
149.02373	8.3
149.06052	1.9
163.03757	2.4
167.03580	1.8
173.04457	7.1
191.01936	21.3
191.05550	20.2
193.01326	2.9
193.05000	3.9
209.02963	14.3
314.29736	1.5
329.56952	1.6
367.07031	2.3
367.11472	1.5
385.07336	3.4
385.11478	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
59.01252	8.1
67.01764	4.6
69.03325	3.1
70.89953	2.5
71.01250	6.6
72.97403	2.1
72.99178	4.8
81.03330	3.1
83.01288	1.2
83.04910	1.4
85.02821	7.7
87.00742	6.4
89.02322	3.3
93.03335	34.0
94.03609	0.9
95.01264	2.5
95.04893	4.6
97.02828	4.1
99.00759	2.4
100.98663	1.0
101.02320	2.9
105.03348	3.3
108.02055	1.4
109.02830	7.8
111.00780	1.6
111.04420	5.8
113.02338	1.4
119.03369	1.9
121.02851	18.6
123.00795	4.4
123.04412	6.4
124.01540	3.8
125.02338	2.7
127.03928	1.3
129.01785	1.4
134.03679	1.4
135.04378	5.0
136.01506	1.1
137.02338	14.9
138.03047	1.8
139.03925	20.7
149.02345	41.2
150.02730	1.2
151.03894	1.7
152.01070	2.1
153.01790	1.4
154.03636	0.9
155.03391	4.5
161.02344	1.5
163.03905	2.2
164.04681	8.3
165.01871	7.9
167.03398	31.1
168.03688	1.3
173.04471	100.0
174.04803	3.5
175.07495	1.2
178.02629	1.1
179.03354	2.4
179.07001	2.7
181.04964	1.5
181.08453	0.9
191.05533	49.1
192.05872	2.0
193.01349	28.6
193.08611	0.9
194.01692	1.4
203.03384	1.0
205.08609	2.6
208.03697	6.0
211.02422	9.7
223.06076	12.6
223.09607	5.1
367.06940	1.8
385.07703	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70551	2.2
59.01251	35.4
59.87547	2.6
63.20852	2.3
64.07993	2.4
67.01754	3.3
69.03294	3.0
71.01261	16.5
71.58393	4.0
72.99192	4.7
73.02802	3.3
73.50462	2.4
77.56195	2.4
78.95773	27.2
81.03332	3.0
82.47131	2.5
83.01266	3.2
85.02840	17.0
87.00766	15.7
89.02307	7.6
93.03334	43.6
96.96838	10.9
99.00806	3.8
101.02335	8.7
105.03337	2.9
108.02089	3.7
109.02837	11.3
109.07281	2.4
111.04416	5.4
113.02327	6.5
119.01353	2.9
119.03344	4.4
121.02834	54.9
123.04429	4.8
125.02341	2.7
125.13206	2.5
127.03899	3.5
135.04396	12.3
137.02327	22.0
139.03929	21.9
149.01219	5.2
149.02354	64.4
150.06786	5.6
152.01076	7.5
153.09070	2.7
161.04520	2.9
162.06741	7.6
163.03952	15.9
163.07518	8.1
164.04701	34.5
165.01843	15.8
167.03389	10.3
173.04480	19.5
175.00279	5.5
179.03467	3.3
179.07040	10.9
180.07855	17.8
181.04968	3.5
181.08591	16.6
182.58908	2.4
190.02661	13.7
191.05554	100.0
192.05876	3.4
193.01344	56.9
205.04993	19.5
205.08678	6.7
205.12299	8.6
208.03717	33.1
211.02390	3.9
223.06100	89.9
223.09491	4.2
253.04762	3.0
385.07675	12.5
385.12088	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
57.71770	0.7
59.01247	4.3
60.99165	1.6
67.01756	4.1
69.03326	1.8
69.73418	5.0
71.01266	2.1
72.99181	4.4
81.03326	2.3
83.04910	2.1
83.22420	0.7
85.02832	12.5
87.00755	9.4
87.99737	0.7
93.03336	37.9
94.03689	1.3
95.01258	1.4
95.04895	2.7
97.02845	1.4
105.03343	2.4
108.02043	0.8
109.02840	7.3
111.04422	5.8
113.49250	0.6
121.02852	14.9
122.03153	0.8
123.00765	3.9
123.04398	2.4
124.01569	1.2
125.02355	1.8
127.03917	3.4
129.01819	1.7
135.04391	0.8
136.01579	1.5
137.02351	16.2
138.03075	0.6
139.03920	22.0
139.24162	0.8
140.04308	0.8
148.01584	2.8
149.02347	30.0
149.52168	0.8
150.02805	0.7
151.03909	1.9
153.01866	1.3
155.03377	1.4
161.02377	2.8
163.02835	0.8
165.01869	5.8
167.03419	12.7
173.04460	20.7
179.03525	1.0
191.05547	100.0
192.05881	4.5
193.01350	26.1
194.01706	1.1
211.02414	4.0
247.04417	1.0
354.01007	0.7
367.06726	2.8
385.07715	14.4
386.07953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1356
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
50.55142	0.3
55.47875	0.4
59.01039	0.3
59.01257	3.3
65.03826	0.4
71.01243	1.6
71.58834	0.5
72.97406	0.4
73.02810	0.7
74.96029	0.3
74.98973	0.6
77.39367	0.3
82.88892	0.3
85.02834	0.7
85.21983	0.3
87.00760	0.5
89.02319	1.0
90.11612	0.3
93.03341	58.6
94.03675	1.4
96.80885	0.3
96.95918	0.7
100.00307	0.6
101.02337	0.9
109.02777	0.4
118.97974	0.4
119.03393	0.5
134.03648	1.0
135.04395	0.9
137.02357	100.0
138.02701	4.0
161.02396	0.4
173.04485	0.4
177.09135	0.4
179.03415	0.4
189.09161	1.5
191.05591	0.6
203.07245	0.5
221.08150	0.8
263.41449	0.4
287.14026	0.6
305.15060	0.4
341.10904	0.4
383.13232	1.3
383.24539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	3.7
59.01260	19.7
69.03329	2.6
69.37666	1.7
71.01252	8.7
71.57932	2.4
72.99205	2.1
73.02808	3.7
76.13558	1.9
83.66454	1.8
87.00733	2.9
89.02318	8.5
91.03888	7.6
97.06473	2.0
101.02299	3.7
105.10541	1.8
111.08023	4.1
113.02324	4.0
125.09636	4.8
137.09612	12.1
139.11133	2.0
139.90878	1.8
141.09085	3.7
165.12660	3.1
171.10179	28.9
177.12770	2.4
181.12350	2.7
185.11891	2.8
195.13828	2.0
197.11778	14.2
201.11270	4.7
211.13358	4.0
213.11253	5.6
239.12796	3.9
240.13434	2.1
245.02602	39.7
247.20695	2.9
263.20114	2.3
273.18741	4.1
291.19662	56.2
292.19849	6.2
305.21207	2.9
308.19830	5.2
309.20703	100.0
310.21234	9.6
331.43011	2.2
336.04126	2.0
341.11072	2.4
347.15192	2.7
383.13983	2.5
383.24353	80.6
384.24643	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	31.8
58.03674	0.4
59.01250	3.1
71.01255	2.0
71.44846	0.8
73.02826	0.4
83.01253	0.4
85.02845	0.7
89.02321	0.8
93.03338	1.9
99.06210	0.4
101.02314	1.1
109.02853	2.8
113.02273	0.5
119.03443	0.4
121.02847	29.4
122.03181	0.9
125.14906	0.4
125.19754	0.4
127.00285	0.8
132.16501	0.4
135.04436	0.5
150.03163	0.5
163.03842	0.4
175.37178	0.4
177.09058	0.7
179.07062	100.0
180.07401	5.1
182.02110	0.5
191.05559	0.6
191.07106	1.1
203.07115	1.3
203.10654	0.7
221.08142	8.6
221.11664	0.7
222.08473	0.7
404.44733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23021	0.3
51.79134	0.3
54.31593	0.3
57.03325	6.2
59.00985	0.5
59.01253	5.4
60.68915	0.3
60.93502	0.4
67.01758	0.3
69.52509	3.2
71.01258	3.7
72.99192	0.6
73.02836	0.6
77.10318	0.3
85.02835	1.9
89.02322	1.5
93.03333	2.0
98.19794	0.7
99.00740	0.5
101.02335	1.2
109.02842	8.4
110.03215	0.4
111.78764	0.4
113.02352	1.2
114.17072	0.4
119.03378	0.6
121.02847	100.0
122.03170	3.9
127.00284	1.5
134.03549	0.8
135.04434	5.0
137.05957	1.1
161.06021	1.6
163.03877	0.8
163.07631	0.4
164.04655	0.4
170.77527	0.4
173.04375	0.8
177.05496	0.7
178.06044	0.5
179.03596	3.0
179.07062	40.8
180.07388	2.4
191.05475	1.1
203.07182	0.8
221.08179	1.3
221.11807	1.0
228.76411	0.4
235.16245	0.4
283.99023	0.4
323.11313	1.2
337.17548	0.4
341.12271	0.4
383.09479	0.6
383.13440	0.6
383.17484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.4
65.00204	1.2
69.24431	1.0
69.41100	4.7
69.41526	3.4
71.01257	1.3
78.01935	0.7
89.02304	0.8
90.97461	0.8
96.90994	0.8
97.59525	0.9
108.02050	5.8
109.02835	2.1
109.06487	4.0
113.09552	0.8
118.29485	0.8
121.02848	21.6
122.03632	2.5
131.08537	1.8
133.02852	5.7
133.10114	2.0
134.03595	1.4
135.08075	1.3
136.47501	0.7
148.01450	1.4
152.01027	1.2
154.02678	0.8
159.08084	13.0
160.08463	1.0
175.07556	5.0
177.01859	6.9
177.09131	57.9
178.09477	2.9
187.03999	0.8
201.05554	1.5
203.07083	49.0
204.07425	3.3
216.18051	0.7
219.10210	1.5
221.08145	100.0
222.08482	6.8
263.09238	2.2
366.21426	0.8
383.13458	68.8
384.13840	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45767	0.4
59.01255	9.2
65.03823	1.3
67.01746	0.9
69.36629	1.3
69.37035	3.1
71.01263	1.3
85.02840	0.8
87.00793	0.7
89.02341	0.6
93.03373	0.9
94.04129	1.3
95.01333	0.4
98.20565	0.9
101.02325	0.7
108.02067	3.7
109.02853	4.8
109.06475	14.5
113.02332	0.5
121.02850	21.2
122.03636	38.5
122.26218	0.4
123.03955	0.9
125.02292	0.5
133.02827	1.2
133.10139	3.9
134.03641	0.6
135.04347	0.9
137.02359	1.5
151.03874	0.7
159.53453	0.5
161.02338	0.5
177.09132	61.0
178.09494	3.0
191.05542	1.0
193.08606	0.5
203.07111	1.0
221.08147	100.0
222.08488	7.4
276.44202	0.4
371.19171	0.5
383.13510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.5
71.01249	2.2
71.58030	2.4
78.93911	1.5
89.02328	2.0
92.69541	1.5
93.05634	1.4
101.02374	2.3
246.10052	1.5
266.78204	1.5
325.18436	2.2
341.10867	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0774
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.78313	0.7
59.01254	3.4
68.99684	1.3
71.01252	1.4
71.58176	0.8
73.02847	0.9
87.00761	0.8
89.02319	1.6
113.02353	1.3
119.03385	0.7
121.02845	100.0
121.10104	0.9
122.03189	3.0
130.95096	0.9
137.71167	0.7
145.02849	1.4
147.04433	2.5
149.02351	1.8
149.09653	0.5
152.92595	0.5
163.03934	1.1
171.10208	0.7
180.05771	0.7
181.06500	3.9
191.03442	7.9
197.11653	0.6
207.10057	1.2
210.68396	0.6
217.05013	0.9
225.05548	6.6
251.07152	2.9
291.19632	1.0
295.02942	0.4
295.06097	10.3
295.09189	1.1
296.06436	0.9
309.20728	2.2
311.09238	14.3
312.09769	1.2
313.07172	20.0
314.07440	1.6
323.22311	0.7
339.08765	13.7
340.08975	1.4
358.01788	0.7
383.07678	17.6
383.17816	5.1
384.07901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	0.9
60.75536	0.5
63.34790	0.5
69.43629	3.2
69.44056	1.6
71.01264	0.6
77.36897	0.6
79.63448	0.5
93.03336	5.5
108.92596	0.6
108.93336	0.7
116.41787	0.5
137.02345	11.5
170.54295	0.5
212.72787	0.7
213.54657	0.5
215.78665	0.5
281.06625	2.9
383.24298	0.6
384.24136	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.4
62.01539	0.6
70.05296	1.4
70.05718	1.3
74.56699	0.5
93.03352	1.0
98.20527	0.7
109.02835	1.4
117.03342	1.0
118.24051	0.5
122.63097	0.5
123.04404	0.9
133.02846	3.3
137.02353	2.7
160.10573	0.6
161.02351	100.0
162.02698	5.3
190.99742	0.7
191.05510	3.8
209.00783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1813
Annotation	CHEBI:67512
Peak:m/z	Relative Intensity
50.20691	1.7
52.68052	1.9
53.17684	1.6
57.92833	1.7
59.01245	7.1
63.23560	1.5
71.04886	2.6
76.85867	1.5
78.95776	10.8
82.36628	1.5
96.95875	1.8
97.06485	1.7
97.93214	1.7
98.20560	3.9
111.54006	1.9
111.88987	1.7
119.04913	3.4
121.10133	4.8
123.08029	2.1
125.09608	3.6
137.09692	2.7
152.99498	18.1
171.10204	6.7
185.11790	9.4
209.11853	5.0
217.00291	3.0
245.19038	3.3
273.18863	2.3
286.95306	2.0
291.19632	17.3
305.21198	6.6
307.19217	7.8
313.17969	1.9
323.22284	16.2
324.22519	2.8
363.71274	2.0
381.18127	100.0
382.18536	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.0
61.46442	0.9
68.13921	0.8
69.53516	0.9
69.87779	5.2
78.95781	20.0
87.79948	1.1
94.15708	1.1
96.96848	2.0
103.33003	1.0
106.46551	0.9
120.43827	0.9
136.83139	0.9
138.06721	1.2
152.99490	34.0
170.05753	4.2
171.00587	1.4
181.12280	1.7
199.13318	2.7
217.00331	2.0
233.19102	1.8
235.20555	1.5
251.20134	2.3
277.18091	82.4
278.18411	7.2
279.19650	27.1
280.20074	3.3
295.19138	100.0
296.19534	11.7
337.61240	1.0
363.25375	15.8
364.25604	1.4
381.03595	1.3
381.26538	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98478	0.8
59.01252	100.0
60.01592	2.1
64.57919	1.0
66.63094	0.9
67.51595	0.9
71.01264	4.4
75.00795	1.2
85.02833	2.5
87.00789	1.4
89.02307	1.4
89.03886	0.9
93.03394	1.2
101.02319	2.7
113.02346	1.2
119.03375	1.2
123.31770	1.0
133.02826	2.6
135.04419	2.0
161.04446	1.3
173.04475	1.6
177.01863	24.9
178.02206	0.9
191.05498	4.3
231.90781	0.9
279.14557	4.0
303.71814	0.9
358.62756	0.8
381.21680	1.1
389.58923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39118	1.5
59.01254	100.0
62.93492	1.4
70.29092	4.9
70.29454	2.0
71.01257	10.1
72.62163	1.3
72.99160	3.2
73.02835	2.0
75.00700	1.4
75.44408	1.2
78.70869	1.2
85.02812	3.5
87.00764	1.6
89.02329	4.0
93.03334	2.4
98.19897	1.7
101.02319	5.1
113.02317	1.8
135.04446	1.6
137.05992	1.6
160.06329	1.7
161.04512	2.4
175.08661	8.0
177.01819	11.7
189.01808	1.7
190.96906	1.4
191.05597	7.1
203.08136	6.4
279.14520	2.7
321.15646	2.8
381.17685	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90665	1.3
59.01250	100.0
71.01260	6.0
71.57513	1.9
75.00697	1.5
85.02822	3.3
85.61002	1.1
89.02319	2.8
94.27359	1.1
101.02323	3.8
105.20175	1.1
113.02327	2.2
115.18275	1.2
117.03287	1.7
133.02820	1.3
135.04361	1.6
146.92947	1.3
163.03957	8.5
173.04495	2.2
177.01862	15.9
189.01782	2.0
191.05560	9.2
191.40549	1.2
198.24861	1.2
201.17001	1.2
203.37813	1.3
205.21687	1.3
207.02995	2.8
256.05154	1.2
279.14600	1.5
289.65439	1.4
317.67233	1.4
341.12106	1.4
381.08212	2.9
381.17416	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	4.9
57.03331	4.9
58.00460	1.4
59.01251	54.2
61.71285	0.9
69.03327	1.6
69.79787	6.5
71.01253	51.4
72.99183	3.5
73.02818	28.1
75.00752	2.1
76.37719	1.0
83.01250	13.7
85.02824	28.7
85.99985	1.7
87.00757	4.0
87.08044	1.1
89.02312	10.5
93.03371	1.2
95.01284	3.4
97.02841	3.4
99.00759	12.4
101.02325	59.6
102.02628	1.3
111.00790	1.9
113.02332	22.9
115.03881	1.9
121.02853	1.1
125.02345	2.4
127.00253	5.0
127.90174	1.1
129.01836	1.9
131.03418	2.7
132.69868	0.9
135.04395	5.0
142.59235	0.9
143.03380	2.4
149.04541	1.4
155.31865	0.9
159.02890	4.3
161.04468	21.8
161.05809	1.2
173.04547	1.0
175.94353	1.3
177.01874	2.2
177.05492	4.1
191.05554	3.5
233.06549	2.3
249.13403	100.0
250.13791	5.8
279.14618	1.5
280.06284	1.1
293.12192	1.0
381.17667	64.6
382.17819	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19099	0.7
59.01255	100.0
62.46124	0.8
69.70193	5.7
75.51126	0.7
75.63323	0.8
78.86583	0.7
83.47764	0.9
93.03356	1.0
101.02331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07285	0.6
58.89403	0.7
59.01250	100.0
69.71044	4.4
71.01257	2.7
76.64834	0.7
83.01311	0.8
85.02841	1.1
87.00759	1.0
89.02326	1.1
101.02332	1.5
119.03366	1.0
120.66112	0.8
135.04445	3.1
136.04785	1.4
137.04935	1.1
158.05960	1.0
163.03964	1.3
173.83661	0.8
177.01852	8.3
191.05571	3.0
241.58116	0.7
343.09503	0.8
355.09229	0.8
382.11819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68122	0.3
52.89602	0.4
59.01257	2.1
65.03835	1.0
71.01247	0.8
71.58688	0.5
80.02525	0.6
85.02831	0.3
93.03336	0.4
96.95893	0.8
100.47892	0.3
101.02275	0.5
105.89796	0.3
108.02059	7.2
109.02846	9.4
109.03601	0.5
110.03185	0.4
111.04504	0.4
121.02856	8.5
122.03675	0.6
133.02834	0.6
133.10118	1.1
134.03651	2.1
135.04425	0.8
135.08029	1.0
154.02629	0.4
154.22258	0.3
161.05951	0.4
175.07591	1.5
177.09134	100.0
178.09492	6.1
191.05684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46296	0.8
57.03329	5.3
58.73005	0.8
59.01255	11.1
67.01759	1.1
69.03324	1.8
70.03576	4.0
71.01256	100.0
72.01588	1.6
72.99178	1.2
73.02814	3.7
78.95781	3.0
81.03326	1.3
83.01259	5.1
85.02824	13.4
87.00762	2.7
89.02328	5.3
89.05963	13.9
93.03338	2.3
95.01260	4.3
96.95956	0.9
97.02830	2.8
99.00768	2.7
99.04382	1.1
101.02335	3.6
109.02835	1.8
112.01560	1.0
113.02344	15.5
121.02845	96.0
122.03188	2.8
125.02343	2.0
131.07062	1.1
135.04419	3.1
143.03416	1.4
152.99467	1.3
161.02354	1.7
161.04517	2.0
164.38950	1.0
165.01854	3.6
173.04498	1.0
174.03175	1.0
175.03903	1.5
176.95107	7.8
179.03471	1.2
183.10191	1.0
185.08115	1.4
191.05583	1.9
203.09172	1.5
219.06618	1.5
227.85516	0.8
233.10228	8.6
237.07686	11.0
291.08768	5.1
292.08679	0.9
381.11911	46.2
382.12271	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75944	0.8
55.01756	1.1
57.03332	6.3
59.01250	10.3
68.99682	1.5
69.03328	1.8
70.03561	4.5
70.39265	0.7
71.01256	100.0
72.01609	1.3
72.99221	0.9
73.02834	3.8
78.95767	3.3
81.03316	1.4
82.10587	0.7
82.22549	0.8
83.01263	6.4
85.02821	13.7
87.00755	2.1
89.02324	5.3
89.05949	13.5
91.73969	0.8
93.03317	1.6
95.01268	3.7
97.02825	1.8
98.19874	1.1
99.00729	1.6
101.02334	3.6
109.02824	2.4
112.01557	1.3
113.02332	14.4
121.02843	91.0
122.03162	3.3
125.02357	2.0
129.01654	0.7
134.03581	1.0
135.04416	2.6
137.02289	0.8
143.03369	2.1
143.30751	0.7
147.00748	0.7
147.04433	1.0
152.99443	1.6
159.04372	1.2
161.02357	1.3
161.04419	2.7
165.01833	2.1
173.04396	1.7
175.03922	1.6
175.07495	0.8
176.03918	1.2
176.95122	6.7
179.03548	1.7
185.08163	1.6
187.03976	0.8
191.05565	2.3
203.09152	1.5
209.71010	0.7
219.06592	1.5
225.49834	0.8
233.10312	7.6
237.07608	9.7
291.08823	5.1
381.11902	42.5
381.22629	1.6
382.12305	3.8
402.87698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49257	1.2
59.01254	100.0
70.15288	5.4
70.15703	3.3
73.04377	1.3
78.95779	4.2
90.83747	1.5
133.06140	1.5
138.09242	1.4
152.99477	10.0
217.00203	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.4
62.54196	0.3
71.01260	1.3
71.57084	0.5
85.02829	0.4
89.02331	0.6
89.03851	2.0
93.03344	0.8
99.00758	0.5
100.41489	0.3
101.02320	0.9
105.03337	4.3
109.02836	0.3
118.03983	0.4
121.02831	0.5
123.04452	0.6
127.00249	2.0
133.02855	10.9
134.03130	0.4
140.65137	0.4
148.01578	0.4
149.02290	1.1
176.01131	0.5
177.01852	100.0
178.02185	4.4
191.05504	0.7
208.74106	0.3
219.02870	0.5
381.08221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.1
57.03325	4.0
58.00480	0.6
58.42071	0.6
59.01251	26.4
65.00181	0.8
67.01757	0.7
68.99685	1.4
69.03329	3.1
70.22473	0.7
71.01254	100.0
71.58627	0.8
72.01587	1.4
72.99194	1.7
73.02826	10.6
74.28739	0.6
74.91914	0.6
81.03316	3.4
82.06914	0.6
83.01260	15.9
84.02065	0.8
85.02821	17.3
87.00771	1.7
87.04397	6.5
89.02326	7.1
89.05952	12.8
95.01257	5.7
96.95896	2.0
97.02837	3.7
99.00752	3.2
99.04401	0.9
101.02319	13.1
109.02831	1.9
112.01524	3.5
113.02332	20.5
114.02628	1.0
121.02844	35.4
122.03197	0.8
125.02342	5.9
127.07546	0.6
131.07036	1.8
142.02661	1.4
143.03387	3.7
143.07054	0.6
155.06993	0.9
160.22667	0.6
161.04433	4.0
165.01820	2.9
171.10098	0.8
185.08130	0.9
203.09201	1.5
211.03793	0.6
225.05615	0.8
227.07040	0.9
233.10265	20.0
237.07614	4.4
271.06165	2.9
291.08963	1.3
306.86697	0.7
381.11923	38.2
381.22754	1.2
382.12009	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	1.2
59.01252	53.7
69.70005	6.1
71.01254	22.1
71.27286	1.0
72.99185	3.1
73.02824	3.5
75.00735	2.1
82.96992	1.0
83.01263	1.6
85.02820	6.7
87.00764	2.3
89.02317	21.1
95.01288	1.5
99.00772	1.4
101.02332	11.9
113.02351	8.1
119.03380	10.0
131.03339	1.2
137.09636	5.1
143.03444	1.3
143.43777	0.9
149.04428	1.5
155.10684	68.0
156.11047	2.7
161.04433	1.7
165.05479	0.9
179.05519	2.2
191.05545	1.4
199.09697	100.0
200.10043	7.0
217.10754	2.3
275.05615	1.0
285.08813	4.7
317.11313	1.9
379.15930	15.8
379.23270	3.2
380.16443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2854
Annotation	Persin
Peak:m/z	Relative Intensity
70.23277	1.1
71.16433	2.7
71.16808	2.3
78.93445	1.3
116.92743	2.9
146.62621	1.3
168.99947	1.2
319.95880	1.6
347.25848	7.2
357.31772	1.3
371.57086	1.4
379.28540	100.0
380.28976	10.9
399.88422	1.5
399.93253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1561
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01762	1.9
58.00449	2.5
59.01250	27.3
71.01255	49.0
71.04897	5.5
71.12656	4.5
73.02802	2.0
77.78370	2.1
80.43784	1.8
85.02809	3.9
88.03914	5.5
89.02290	10.1
99.04420	4.0
101.02329	12.6
113.02328	4.1
116.07101	2.7
119.03382	4.3
125.87487	1.6
128.07077	2.9
132.45241	2.0
139.44846	1.8
146.08130	71.2
147.08505	3.0
179.90746	2.0
188.70291	2.3
308.13422	8.4
362.14423	2.8
380.15601	100.0
381.15897	9.3
403.78314	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58867	0.5
59.01252	100.0
59.51038	0.5
60.01598	1.0
71.01267	3.4
71.06989	1.0
71.07317	0.8
73.02830	2.5
75.43925	0.6
75.56896	0.5
78.28113	0.6
81.78579	0.5
83.01246	0.7
84.98557	0.6
85.02826	1.0
89.02361	1.4
92.03487	0.5
101.02331	3.6
113.02327	1.7
119.03410	0.6
129.94853	0.7
135.04431	9.6
140.49593	0.5
144.24913	0.5
144.29230	0.5
161.04474	1.5
179.03426	0.9
285.30960	0.6
341.08844	1.3
379.16074	1.6
403.27057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01607	1.0
60.98149	0.8
62.88104	0.8
68.58340	0.7
70.87482	2.2
71.01257	3.7
73.02793	2.0
83.01267	1.1
89.02327	2.3
98.44244	0.7
101.02334	4.6
104.37234	0.8
113.02346	1.6
123.78407	0.8
135.04408	13.9
136.04765	1.1
154.50818	0.8
179.03415	3.3
232.52097	0.8
341.08633	2.2
379.16016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
59.01251	22.5
70.60117	2.3
70.60481	0.8
73.34494	0.7
83.38570	0.7
85.34772	0.7
95.04888	1.7
95.16730	0.8
125.09624	1.4
151.11212	2.0
157.14781	0.9
171.10185	35.1
172.10582	1.7
183.10213	1.8
191.06810	0.9
197.58495	0.8
209.07875	1.3
237.62677	0.8
249.22160	1.4
273.22067	1.0
277.21716	39.6
278.22049	3.6
295.22781	100.0
296.23111	8.5
317.20950	31.6
318.21295	3.2
321.18774	0.8
361.19934	3.2
377.22766	16.5
378.23096	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01579	1.6
64.77380	0.4
69.04368	0.5
71.01264	2.8
71.58665	0.8
73.02837	0.7
79.95628	0.5
83.01265	0.6
85.02818	1.1
86.55827	0.5
88.27190	0.4
89.02314	1.6
93.03364	1.0
99.48605	0.5
101.02337	2.4
108.04420	0.6
109.02793	0.6
112.00971	0.5
113.02354	1.0
116.04952	0.7
121.02859	2.5
133.02882	0.6
135.04411	1.7
139.99692	0.5
141.52679	0.5
159.02959	0.5
160.03995	2.0
161.04567	1.6
172.05212	1.0
176.54218	0.6
179.03502	0.8
191.05559	0.7
210.88152	0.5
219.05351	0.5
251.04422	0.7
283.10806	0.5
341.11377	1.0
359.15292	0.8
377.16693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
55.41629	0.6
56.54015	0.6
57.03330	2.0
58.00468	0.9
59.01254	100.0
59.09273	0.6
60.01577	1.4
70.14902	1.5
70.15291	1.5
71.01259	17.7
72.99200	1.1
73.02823	4.6
78.95803	0.7
83.01278	3.0
85.02824	9.5
85.40913	0.6
86.01880	0.6
87.00798	1.1
89.02315	6.1
93.47682	0.6
93.99197	0.6
95.01285	1.4
96.95878	1.0
97.09423	0.7
98.20496	0.7
99.00782	2.3
101.02325	14.7
108.02116	0.6
113.02332	7.9
117.57574	0.6
119.03426	1.4
125.02422	0.9
129.48242	0.6
135.04462	0.8
143.03435	1.3
149.96707	0.6
152.99551	1.4
159.02992	1.2
161.04472	8.7
161.05714	1.0
173.15417	2.1
191.05609	0.7
230.36836	0.7
312.84906	0.7
335.20755	16.8
335.24442	1.1
336.21371	1.0
341.10956	1.6
377.07877	1.0
377.19739	0.7
377.27994	4.2
386.71829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1755
Annotation	Mulberrofuran V
Peak:m/z	Relative Intensity
51.81923	0.9
59.01238	2.6
61.98694	2.8
71.57766	1.2
96.95876	1.4
100.68376	0.8
109.06477	5.5
109.41319	0.7
149.31772	0.7
175.14342	0.9
225.09215	1.7
238.06320	6.5
253.04961	0.8
266.05804	2.8
267.10318	1.7
279.06552	1.3
279.10129	1.0
280.11081	1.1
293.11914	5.5
294.12485	3.6
308.10666	1.6
309.11392	1.5
321.11310	3.6
322.12061	7.7
333.11145	1.6
341.10870	1.4
354.11176	5.6
355.11600	0.9
377.17560	100.0
378.17932	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Lamiol
Peak:m/z	Relative Intensity
51.54578	0.7
56.65162	0.6
57.03321	1.0
58.00472	1.7
59.01254	53.2
62.18787	0.6
70.33187	2.1
71.01257	22.8
72.99186	2.1
73.02831	1.2
83.01270	1.3
85.02825	5.0
85.74091	0.6
87.00771	1.2
89.02321	21.1
89.28714	0.7
95.01270	1.4
95.45100	0.6
101.02323	11.4
103.49166	0.8
107.08582	0.7
113.02345	7.4
119.03384	8.7
131.03444	0.7
135.08058	4.6
143.03424	1.0
153.09123	49.1
154.09491	1.5
161.04431	1.8
179.05537	1.7
197.08134	100.0
198.08476	5.4
212.47011	0.8
213.13701	0.7
215.09216	1.7
246.02614	0.8
270.74380	0.7
370.89453	0.8
377.14465	14.8
377.17990	0.7
377.21988	1.7
378.14954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.0
57.03314	1.3
58.00453	1.5
59.01254	55.4
69.71652	4.0
71.01258	24.6
72.01598	0.7
72.99179	1.3
73.02811	1.0
81.03287	0.7
83.01271	1.5
85.02837	4.5
87.00773	0.7
89.02319	22.7
93.03365	0.7
95.01273	2.0
101.02336	9.5
107.04817	0.6
107.08533	1.3
113.02346	8.2
119.03392	8.5
135.08063	5.3
153.09126	52.6
154.09462	2.6
160.03992	1.0
161.04552	1.0
179.05563	1.9
179.07056	0.7
185.71481	0.6
191.05486	0.8
195.70959	0.6
197.08134	100.0
198.08493	4.6
199.33525	0.6
215.09245	1.4
246.78290	0.6
341.11569	0.8
359.20776	0.7
377.14462	14.0
377.21878	4.5
378.15118	1.3
378.22125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1429
Annotation	Go 6976
Peak:m/z	Relative Intensity
60.16429	0.6
63.25105	0.6
72.07977	0.6
75.74329	0.6
77.24400	0.6
96.95885	1.4
99.92463	78.3
100.90355	1.5
100.92486	3.6
100.93227	1.4
101.07852	0.5
102.01689	0.7
115.91964	40.6
116.92746	100.0
117.92773	6.5
143.03151	0.6
175.57346	0.7
277.21527	1.2
282.05673	1.0
290.06219	1.1
299.05878	0.9
305.49182	0.6
308.07129	2.1
315.14114	0.8
326.06845	0.6
333.15195	1.3
359.13293	1.4
371.09631	0.9
373.11026	3.2
377.14279	44.1
378.14426	7.0
391.12259	5.5
392.12491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.7
65.03823	1.3
70.90462	2.4
71.11269	0.7
91.05406	1.2
96.95905	1.5
100.96488	0.8
105.38099	0.7
106.04140	1.4
107.00379	0.8
108.02065	1.2
109.02842	3.1
121.02836	15.4
122.03637	3.8
123.00817	1.1
123.04389	4.1
126.78282	0.8
133.02855	10.3
134.03638	59.3
135.04424	63.4
136.04817	2.4
147.04422	60.4
148.04794	3.0
149.02368	1.6
159.00598	2.3
161.06003	2.2
166.02632	1.6
171.10136	1.2
175.03658	2.3
181.10185	1.1
186.94405	0.8
187.07599	7.4
187.16548	0.8
190.02481	1.5
193.08467	1.6
199.07645	1.3
205.08649	10.6
209.95552	0.7
213.09122	0.8
215.10774	1.6
219.02716	1.6
223.07449	0.8
224.08479	1.2
225.09140	10.2
226.09479	0.8
227.07021	1.0
227.32722	0.8
239.10617	1.7
244.78819	0.8
263.10419	0.8
265.08603	1.8
269.08203	21.8
270.08466	1.6
275.56192	0.9
277.08539	1.4
277.12177	1.0
291.06393	6.1
292.07169	33.8
293.07574	2.1
305.07968	2.2
307.09518	98.8
308.09818	7.8
309.06137	1.1
310.07050	1.3
321.10941	1.3
325.09409	1.5
341.10812	0.8
344.10153	1.4
359.12720	10.1
368.01013	0.8
375.12192	4.4
377.13687	100.0
378.14020	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33622	3.1
59.01252	51.2
69.45021	2.9
69.87606	16.8
71.01259	47.4
72.99194	11.3
73.02831	9.2
78.95786	12.5
83.01254	3.4
85.02839	11.2
87.00761	24.3
89.02317	58.0
95.01266	3.5
97.02814	3.8
98.20454	5.3
99.00755	5.8
101.02324	37.7
113.02328	21.5
115.00331	3.8
119.03400	20.0
131.03448	6.0
140.32727	3.1
141.01848	10.2
143.03413	7.0
149.04448	3.1
151.96120	3.4
159.02841	6.0
161.04477	26.1
179.05557	58.8
179.07143	4.4
180.06012	4.7
181.07094	5.6
215.03310	4.5
221.06635	13.3
293.78287	3.8
302.90756	3.4
341.10895	100.0
342.11417	3.8
377.08649	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81800	2.4
57.03307	3.7
59.01251	12.7
61.98687	3.1
70.02593	13.4
71.01247	3.5
80.04908	5.1
83.80390	2.9
86.02351	4.4
96.95858	4.0
105.77177	3.0
108.02185	2.5
111.08032	20.4
121.05270	2.9
127.66116	2.8
134.06010	10.6
135.04442	2.6
138.69594	2.4
149.09636	21.7
167.52701	2.7
171.10147	9.1
176.07047	2.7
182.11827	26.7
190.15968	4.8
192.17480	19.7
208.13356	18.3
218.00633	3.7
218.15454	32.3
220.13364	29.2
234.14984	12.5
236.16519	100.0
237.16762	4.8
241.34756	3.0
244.13699	3.3
270.22189	6.0
274.05051	3.0
288.23285	4.4
289.17874	3.4
290.21280	8.4
291.19653	8.3
296.20044	4.1
314.21262	63.1
315.21600	5.1
332.22327	73.1
333.22607	7.5
376.21527	13.4
391.51227	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.1
60.01591	0.2
71.01254	2.3
73.02809	0.4
75.00681	0.2
75.49641	0.2
83.01250	0.3
85.02835	1.0
87.00782	0.3
89.02332	1.6
91.05383	0.3
93.03339	0.3
95.01287	0.3
101.02316	1.1
107.04905	0.4
110.51538	0.2
113.02327	0.8
119.03388	0.7
126.65143	0.2
130.74136	0.2
134.03630	1.0
135.04416	100.0
136.04744	4.1
151.03905	1.1
153.09134	2.7
179.03438	6.4
197.08136	6.6
198.08522	0.2
203.03487	0.2
203.12779	0.2
215.09215	0.7
251.23248	0.2
257.11697	0.4
297.09784	5.7
298.10025	0.4
303.50223	0.2
313.09369	0.4
341.08771	15.5
342.08777	1.4
377.06522	1.7
377.14328	1.4
377.22076	0.6
390.33258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.2
58.00478	0.4
58.49229	0.2
59.01248	3.2
65.16653	0.3
67.74236	0.3
69.03319	0.8
71.01244	0.9
71.04880	0.3
72.06342	0.2
73.02816	0.8
85.02834	0.8
87.04391	1.2
93.03328	0.4
97.06486	0.7
99.08007	0.3
101.02322	0.5
107.12603	0.3
109.06449	0.6
110.74454	0.3
111.04407	0.4
111.08030	0.4
113.02280	0.3
113.09611	0.5
123.04446	0.3
123.08044	1.1
125.09672	0.4
127.56129	0.3
135.04440	0.4
135.08049	0.6
137.02361	0.3
139.11180	1.0
141.09132	0.4
141.12704	0.4
143.10638	0.3
147.01442	0.3
153.09109	0.7
157.12259	1.8
161.02316	0.4
169.10963	0.3
169.12201	1.3
171.10176	0.3
173.04478	0.5
179.83675	0.3
185.11739	3.0
199.13280	0.7
215.12860	2.0
216.13356	0.3
220.78667	0.3
251.20181	0.4
259.99310	0.3
269.21243	0.6
271.19263	0.3
285.20743	0.8
311.22272	0.8
327.21710	0.7
327.25418	0.8
329.23334	3.1
330.23621	0.4
339.25415	0.8
343.24960	0.3
355.25082	0.4
357.26407	4.4
358.26492	0.3
373.25955	3.1
375.27493	100.0
376.27817	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	15.2
71.58036	1.2
71.58456	3.1
87.40780	1.4
101.67266	1.3
104.41141	1.3
116.64814	1.2
125.09618	4.7
141.12791	1.4
185.11760	9.5
197.11739	2.8
210.87044	1.3
215.26230	1.4
217.00229	2.0
293.21219	100.0
294.21521	9.4
315.19373	28.3
316.19644	3.2
375.21399	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36318	0.3
57.03324	2.2
59.01254	5.0
60.01588	0.3
61.01632	0.3
64.74565	0.2
69.03322	0.5
71.01251	1.2
71.04881	0.5
71.58641	0.3
72.47938	0.3
73.02808	1.6
85.02821	1.0
87.04398	1.2
90.80654	0.3
93.03348	0.8
97.06468	0.7
99.36608	0.3
101.02311	0.8
109.06474	0.8
111.08035	0.5
113.02332	0.5
113.09627	0.4
123.08039	1.2
135.04407	0.4
135.08015	0.5
137.02371	0.5
138.06799	0.4
139.11185	1.0
141.09142	0.3
141.12721	0.7
153.09128	0.4
157.12273	2.2
157.20792	0.2
161.02315	0.4
167.10574	0.3
169.12279	1.5
171.10225	0.5
171.13925	0.4
171.40831	0.2
173.04440	0.7
176.03453	0.6
185.11758	2.3
191.05696	0.3
201.11278	0.4
215.12843	1.5
251.20093	0.3
269.21143	0.4
285.20563	0.3
291.23663	0.3
293.21146	0.3
311.22232	0.6
327.21732	0.4
327.25381	0.5
329.23334	3.4
330.23749	0.4
333.17899	0.3
339.25409	0.5
355.24673	0.3
357.26517	3.9
358.26843	0.6
361.10352	1.0
373.25885	2.8
375.27509	100.0
376.27866	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	38.8
65.35419	1.1
69.27416	12.6
83.63890	1.1
95.04887	3.4
97.39761	1.1
98.20545	2.7
99.92451	3.3
109.06461	1.2
121.10119	24.7
122.10419	1.6
125.09617	1.3
133.82639	1.0
148.31029	1.1
149.09604	1.2
156.26302	1.2
158.31819	1.3
171.10181	62.2
172.10530	2.8
183.10205	2.7
185.11670	2.1
198.27542	1.2
207.09953	4.5
231.21115	5.0
275.20151	100.0
276.20560	9.0
278.11346	10.7
293.21219	73.7
294.21487	7.5
297.18341	1.6
315.19397	39.6
316.19501	2.9
327.60336	1.1
355.07391	1.2
359.18246	4.4
373.72000	1.1
375.21387	19.8
376.21140	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	44.6
59.43367	1.3
69.25049	17.7
70.20110	1.4
76.16941	1.3
79.37324	1.4
87.80407	1.3
95.04903	12.8
97.06523	1.5
103.69459	1.5
121.10110	31.1
122.27845	1.6
138.39471	1.4
138.79066	1.5
171.10181	63.6
172.10516	1.9
185.11693	2.4
185.27464	1.6
195.13852	2.6
207.09872	2.2
223.13402	1.7
231.21184	6.2
246.12263	3.2
275.20157	100.0
276.20584	11.2
278.11325	24.6
279.11685	2.1
293.21225	88.4
294.21515	10.0
297.18451	2.5
315.19427	43.2
316.19647	4.0
359.18481	4.8
375.21152	27.6
376.21021	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31782	0.6
57.03329	2.3
57.92667	0.5
59.01253	100.0
60.01587	1.3
68.95123	0.6
69.03327	0.8
69.24673	2.1
69.25102	4.8
71.01257	8.4
72.99199	1.0
73.02823	3.3
75.00768	0.8
83.01277	1.7
85.02835	3.6
87.00787	1.0
89.02303	4.0
93.03333	1.5
95.34519	0.6
96.95888	0.8
101.02326	5.5
104.41040	0.6
113.02314	4.4
118.98000	0.7
119.03387	1.9
129.31055	0.6
135.04448	2.5
137.02431	0.7
139.11278	0.7
149.63284	0.7
151.03906	0.9
161.04485	0.9
171.02107	1.7
171.10249	1.0
173.04489	1.3
176.03957	4.3
176.54115	1.1
179.03438	2.2
183.13884	1.0
191.05530	1.4
221.80113	0.6
313.20081	0.6
329.23407	0.9
333.19101	0.7
357.26318	0.9
362.52475	0.7
375.15707	1.7
375.20068	2.2
375.24158	1.3
375.27582	27.2
376.27863	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94158	0.5
55.01744	1.1
57.03321	1.5
58.00476	2.9
59.01251	51.3
60.01603	0.6
64.44514	0.4
69.03297	0.6
71.01253	29.1
71.38360	0.5
71.38685	0.5
72.01579	0.7
72.99187	2.5
73.02811	1.9
76.56319	0.4
83.01256	2.1
83.04897	0.4
83.10768	0.4
84.02023	0.5
85.02824	6.8
87.00736	1.6
87.04388	1.6
89.02316	23.3
95.01254	3.1
99.00758	0.7
101.02322	18.5
113.02331	10.8
115.94026	0.5
119.02573	0.7
119.03387	8.5
123.04407	0.4
130.64153	0.5
131.03413	0.9
135.04413	0.8
161.02423	0.5
183.13835	1.5
195.13826	11.6
213.14941	3.7
299.10416	0.6
357.19159	0.7
357.26312	0.7
375.20224	100.0
375.27145	13.4
376.20511	10.0
376.25714	0.6
376.27560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31782	0.6
57.03329	2.3
57.92667	0.5
59.01253	100.0
60.01587	1.3
68.95123	0.6
69.03327	0.8
69.24673	2.1
69.25102	4.8
71.01257	8.4
72.99199	1.0
73.02823	3.3
75.00768	0.8
83.01277	1.7
85.02835	3.6
87.00787	1.0
89.02303	4.0
93.03333	1.5
95.34519	0.6
96.95888	0.8
101.02326	5.5
104.41040	0.6
113.02314	4.4
118.98000	0.7
119.03387	1.9
129.31055	0.6
135.04448	2.5
137.02431	0.7
139.11278	0.7
149.63284	0.7
151.03906	0.9
161.04485	0.9
171.02107	1.7
171.10249	1.0
173.04489	1.3
176.03957	4.3
176.54115	1.1
179.03438	2.2
183.13884	1.0
191.05530	1.4
221.80113	0.6
313.20081	0.6
329.23407	0.9
333.19101	0.7
357.26318	0.9
362.52475	0.7
375.15707	1.7
375.20068	2.2
375.24158	1.3
375.27582	27.2
376.27863	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.9
65.41964	1.0
69.24104	10.6
74.98966	1.8
76.85949	0.9
92.99986	1.7
96.35593	0.8
98.20665	1.3
102.09035	0.8
105.00953	0.8
136.78918	0.9
159.08383	9.6
161.06284	2.8
209.01128	2.4
217.07094	1.1
269.55859	1.0
275.06049	0.9
277.07397	2.0
289.07544	2.0
291.09100	93.3
292.09238	12.7
309.10034	2.9
357.13757	2.1
359.15332	100.0
360.15530	15.8
375.18420	4.1
377.16516	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22766	0.7
71.35150	1.0
74.98939	1.7
92.99989	1.4
101.77776	0.7
113.17682	0.6
146.30632	0.7
149.00854	0.7
159.08365	10.1
161.06247	2.8
209.01210	2.5
217.07083	1.4
261.04294	0.7
274.34045	0.7
275.06018	0.7
277.07532	2.7
289.07462	1.4
291.09091	96.2
292.09204	13.2
309.10083	2.2
357.13538	1.7
359.15338	100.0
360.15482	16.9
375.18475	5.0
377.16537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	6.2
57.03310	4.8
58.00463	3.2
59.01250	100.0
69.03313	1.6
71.01250	58.1
72.99184	6.5
73.02824	13.0
74.63963	1.6
75.00740	2.4
75.11880	1.6
78.63510	1.4
83.01254	8.1
85.02821	26.9
85.99966	1.9
87.00757	5.6
89.02311	42.1
93.03350	2.5
95.01271	5.9
99.00755	6.3
101.02321	49.4
111.00764	2.8
113.02338	21.9
119.03393	22.8
131.03375	2.0
143.03413	2.3
161.04428	7.0
162.29877	1.6
169.12262	2.5
173.04475	5.7
177.09167	8.9
179.05524	6.4
185.95934	1.5
191.05530	2.1
195.10143	2.5
198.06818	1.4
216.53667	1.5
229.53506	1.8
255.08846	6.9
331.17944	2.1
357.15533	26.5
358.15784	2.9
375.16556	87.3
376.16974	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03234	18.0
53.99897	17.3
59.01245	97.8
71.01260	51.8
71.14207	29.4
78.42030	15.6
87.00709	21.3
89.02318	65.4
90.08856	15.4
100.84468	13.9
101.02319	28.6
111.61658	18.6
113.59143	16.2
119.03408	51.5
121.02914	18.1
125.02357	17.4
126.56592	16.9
135.04448	17.2
145.02840	16.7
151.00214	18.6
153.01843	100.0
160.44685	17.7
161.02354	43.9
162.03130	55.8
165.05487	35.0
177.05515	23.4
191.05595	25.1
195.06613	47.4
272.87219	15.7
285.47406	16.1
350.25366	18.4
375.06937	23.9
391.33878	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09854	7.7
58.00489	7.8
59.01247	92.0
66.88405	7.2
71.01262	82.0
71.37216	15.5
83.01273	9.1
85.02832	18.6
87.00759	13.3
89.02323	100.0
90.97725	7.9
101.02361	55.0
113.02336	42.7
117.03363	13.4
119.03375	45.8
133.02977	9.7
135.04448	15.1
137.02376	13.2
145.02870	65.5
146.03603	18.7
147.04440	15.8
153.01840	41.3
161.02367	57.9
162.03131	80.8
163.03793	11.0
177.05502	48.6
179.05632	8.3
180.04192	16.8
191.05595	13.8
195.06610	26.2
350.86221	9.7
357.12061	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27808	0.3
54.46490	0.4
57.03335	2.4
58.00475	0.5
58.46650	0.3
59.01254	2.6
61.98687	0.3
69.03308	1.0
70.17992	0.7
70.18404	1.1
71.01256	1.2
71.04884	0.6
73.02813	1.4
83.04889	0.5
84.02061	0.3
85.02834	0.6
87.00761	0.4
87.04387	0.4
97.06460	1.0
99.04401	0.5
101.02328	0.4
101.17689	0.3
108.44168	0.3
109.06464	0.8
111.08024	0.7
113.02376	0.7
123.08051	1.6
125.09608	4.2
127.07528	0.5
127.11198	2.7
135.04390	0.5
137.09651	2.1
139.07541	0.8
141.09114	1.1
143.10683	0.7
153.09074	1.2
153.12764	1.0
155.10699	2.2
168.07881	0.5
169.12212	0.4
171.10197	15.2
172.10576	0.8
185.11819	1.9
191.95822	0.4
199.13409	0.5
201.07582	0.5
201.11240	1.4
201.14984	0.6
213.11282	0.9
215.12721	0.5
223.13306	0.6
229.14482	0.4
230.15187	0.6
236.76505	0.4
251.16568	0.4
253.14368	0.5
285.20624	0.5
297.84769	0.3
327.21826	0.8
337.24060	0.4
343.24808	0.4
355.24960	2.3
359.87402	0.4
371.24380	1.2
373.25949	100.0
374.26282	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2594
Annotation	oscr#24
Peak:m/z	Relative Intensity
56.25981	0.2
57.03094	0.2
57.03333	2.6
59.01256	4.7
60.60627	0.2
67.03050	0.2
67.90205	0.2
69.03328	1.0
71.01260	1.3
71.04882	0.4
71.45862	0.3
73.02827	1.1
73.15598	0.2
81.03296	0.2
83.01234	0.4
83.04892	0.5
85.02827	0.7
87.04417	0.4
89.02326	0.7
89.07143	0.2
91.05408	0.3
93.03313	0.3
95.04894	0.4
97.06458	1.8
99.04413	0.3
101.02313	0.9
109.06466	0.3
111.08038	0.9
113.02327	0.7
113.09624	0.5
119.03437	0.2
123.08047	3.1
125.02309	0.6
125.09617	1.3
127.07559	0.5
127.11160	0.8
135.04408	0.8
136.04791	0.5
137.09628	0.8
139.07574	0.4
139.11189	1.6
141.09120	1.3
141.12764	0.4
143.96858	0.2
153.09091	0.4
153.12775	0.4
155.10678	0.8
157.12244	0.6
161.04420	0.3
167.10632	0.3
169.12276	0.5
171.06625	0.3
171.10214	4.9
172.10571	0.3
185.11761	9.3
186.12053	0.4
187.09676	0.4
201.11203	0.7
213.11264	0.7
214.12018	1.2
215.12895	0.6
222.12155	0.2
230.15283	0.3
251.16510	0.7
253.14435	0.4
265.18127	0.4
267.19620	0.7
285.20770	0.7
293.17630	0.3
311.18585	0.4
316.56052	0.3
325.23947	0.5
327.21649	1.1
331.17621	0.3
337.24020	0.2
343.24902	0.4
355.11191	0.4
355.24911	1.7
371.24374	1.3
373.25958	100.0
374.26306	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2594
Annotation	oscr#24
Peak:m/z	Relative Intensity
51.76851	0.4
57.03325	2.7
59.01254	3.8
60.99190	0.4
61.90316	0.4
69.03333	0.8
71.01250	0.7
71.04874	0.5
71.58907	0.5
73.02815	0.9
79.95645	0.6
80.96370	0.4
83.04901	0.7
85.02835	1.3
86.16560	0.3
87.04383	0.6
93.03363	0.7
95.04896	0.9
96.95885	0.5
97.06490	0.7
101.05988	0.6
109.02831	0.5
111.04405	0.6
111.08055	0.8
113.02305	0.4
121.02844	0.8
121.06508	0.5
123.08041	1.5
125.02359	0.5
125.09626	3.0
127.11192	3.1
135.04457	0.8
137.09642	2.0
138.98419	0.3
139.11089	0.4
141.09145	1.0
143.10698	0.5
153.01874	0.4
153.09108	1.2
153.12735	0.4
155.10690	2.1
169.12164	0.4
170.75673	0.3
171.10181	12.9
172.10504	0.6
185.11754	0.7
186.67769	0.4
200.10504	0.4
201.11169	0.4
211.13367	0.4
221.11687	0.4
229.14421	1.1
230.15210	0.9
293.91949	0.4
323.18420	0.3
325.23801	0.5
327.21790	0.8
327.25446	0.3
343.24951	0.5
355.08176	1.0
355.24756	2.0
356.25104	0.4
371.24442	1.1
373.22357	4.3
373.25967	100.0
374.26349	11.3
395.84637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99355	0.4
59.01254	11.6
65.24356	0.4
68.06290	0.4
69.41794	4.2
74.07416	0.4
78.90033	0.5
78.95774	2.0
85.34750	0.5
88.35352	0.4
93.03349	2.1
95.04926	0.5
111.60581	0.5
115.71585	0.4
125.05968	0.9
148.08847	1.9
150.10396	1.6
152.99545	1.0
163.11195	0.9
165.12772	23.1
166.13112	1.3
175.11214	0.9
176.11919	0.7
177.12718	0.6
191.14328	0.7
212.04240	0.4
217.15918	0.6
244.10774	4.2
247.20645	11.7
248.21004	1.2
267.70178	0.4
273.18555	6.2
277.21664	1.1
291.19659	100.0
292.19995	9.6
313.17880	13.2
314.18246	1.2
373.19965	9.7
374.20245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43850	0.8
57.03325	1.2
58.00462	1.9
58.62307	0.8
59.01251	6.8
66.96353	0.8
69.03323	1.0
71.01268	3.8
80.02534	1.2
85.06470	1.3
87.00748	0.9
89.88351	0.8
91.05409	1.0
97.06467	4.6
101.05966	2.7
109.02834	2.2
109.06478	9.6
113.05979	1.0
121.06499	3.2
123.08017	4.4
125.05956	2.3
125.09623	33.3
127.07546	100.0
127.11195	3.7
128.07875	4.2
135.04425	6.9
137.76854	0.8
139.07579	3.2
139.11159	1.0
141.09128	3.7
142.22047	0.8
148.05188	1.1
153.05527	1.4
165.09175	1.0
168.54388	0.7
171.06557	31.6
171.08035	1.6
171.10170	12.4
172.07027	1.4
172.87450	0.8
173.66821	0.9
183.10175	1.0
185.08151	2.6
185.11656	1.1
187.09686	23.2
188.10068	1.7
199.09772	1.8
201.11259	35.6
202.11632	1.1
203.09171	1.8
233.63136	0.8
251.16440	1.5
267.15820	1.1
293.17636	2.6
295.15421	0.9
363.88000	0.9
373.18777	9.3
373.25854	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	1.2
61.01770	0.4
69.64317	3.3
71.01254	5.5
72.01586	0.6
73.02835	2.4
74.82027	0.5
83.01260	0.9
85.02839	2.2
89.02314	2.7
89.62978	0.5
89.63701	0.5
93.03407	0.6
98.19798	0.9
101.02334	3.7
113.02324	2.6
119.03436	0.8
119.65499	0.4
160.12877	0.4
161.04500	0.7
191.05534	0.8
331.17725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01756	1.0
57.03322	1.2
58.00469	1.1
59.01252	100.0
60.01583	1.6
69.03328	0.8
69.86929	2.2
71.01255	19.6
72.01604	0.5
72.99195	1.0
73.02821	7.4
75.00753	0.5
81.06992	1.1
83.01250	2.7
83.04883	0.4
85.02834	7.0
85.99969	1.9
87.00734	2.3
87.04398	0.5
89.02316	8.6
95.01283	1.4
97.06460	0.6
99.00787	2.0
101.02325	13.1
109.02827	0.5
113.02331	8.0
119.03387	4.5
125.02328	1.1
125.09586	0.6
129.08221	0.3
131.03403	0.6
135.04396	0.6
135.58368	0.4
143.03462	1.2
159.02965	0.9
159.06595	1.7
161.04457	6.6
161.05678	0.6
171.10252	0.9
179.05486	2.0
185.11739	4.9
201.07611	0.3
203.05597	0.4
215.12863	0.5
229.18098	1.0
249.09737	0.7
257.17697	0.4
262.17731	0.4
313.16534	2.3
331.17670	3.1
355.24942	3.0
373.18491	1.2
373.22797	0.4
373.26111	4.0
374.26389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01754	0.6
57.03334	0.5
59.01253	100.0
60.01588	0.9
65.05986	0.4
69.35582	3.8
71.01255	5.6
73.02814	2.1
83.01278	0.8
85.02826	3.2
87.00726	0.5
89.02312	3.6
89.05778	0.3
95.01295	0.6
99.00762	0.8
101.02325	4.5
108.02097	1.4
109.02872	2.0
113.02334	3.5
119.03415	1.1
124.01623	0.5
125.02409	0.7
129.48457	0.4
132.04494	1.6
138.63348	0.4
147.55527	0.4
152.01085	1.0
153.01845	2.2
161.04472	2.4
164.07193	0.4
221.08125	3.7
223.27814	0.4
242.50609	0.4
297.12473	0.5
331.17688	4.0
357.07944	0.5
373.22437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.9
55.46784	0.5
57.03322	2.2
58.00470	0.9
59.01251	100.0
60.01588	1.1
62.31167	0.4
69.03334	1.8
69.29367	1.1
69.29783	3.8
71.01251	14.8
71.04869	1.0
72.99186	0.4
73.02822	6.6
75.00766	0.6
79.22722	0.5
81.03303	1.1
83.01244	3.1
85.02826	6.9
87.00761	0.9
87.04408	1.9
89.02323	3.4
93.03332	0.8
95.01269	1.8
97.02860	0.5
97.06501	0.5
99.00778	1.6
101.02319	13.2
102.02685	0.5
109.02857	1.4
109.06522	0.6
111.04404	0.6
113.02328	8.1
119.03353	1.1
122.06013	0.7
123.08025	0.5
125.02322	1.2
125.09579	1.0
126.87852	0.4
127.11191	0.8
132.04472	1.3
133.02939	0.6
135.04373	0.9
137.02380	0.5
139.07500	0.9
143.03395	1.4
151.07571	0.6
152.07094	1.0
159.02969	1.2
161.04469	6.5
169.12308	1.2
171.10167	5.2
173.04608	0.9
175.04004	1.1
179.03589	0.4
185.11823	0.6
190.11375	0.5
199.09596	0.8
201.07664	1.3
201.11224	0.7
215.12802	6.1
223.13464	1.3
251.09415	0.6
253.14403	0.7
271.19217	0.5
272.86145	0.5
275.16641	1.0
293.17487	1.0
297.08859	0.5
313.16562	1.3
325.23871	0.7
331.13702	1.1
331.17590	17.3
332.18011	1.5
341.11505	0.9
341.36584	0.5
343.24609	0.5
355.24954	1.1
373.13766	0.8
373.18707	2.5
373.25995	16.4
374.26379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1689
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
53.65025	0.6
56.77435	0.5
63.96111	62.1
64.96890	1.7
79.95605	100.0
80.96387	37.4
96.95903	3.2
111.53165	0.6
119.98759	4.4
121.10128	1.3
123.84528	0.7
125.66616	0.5
127.11190	0.7
135.04378	1.4
137.09602	1.9
168.04817	0.6
171.10184	8.0
173.06317	9.5
189.05829	45.7
190.06126	2.2
201.11256	9.5
202.11597	0.6
226.44566	0.6
257.50598	0.6
272.20154	0.6
275.20178	3.4
291.19608	1.6
293.21204	4.0
302.99170	0.5
309.20688	0.7
355.15707	5.6
356.16217	1.1
373.16873	30.9
374.17221	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.1
62.72242	0.3
63.96113	11.9
69.03318	0.3
69.82008	2.4
70.46249	0.4
79.95608	100.0
80.96393	19.2
94.38489	0.3
96.20827	0.3
96.95889	7.9
107.81826	0.4
119.04857	0.7
119.98763	1.0
121.10099	2.5
125.09602	0.4
130.20085	0.3
132.99548	0.5
135.04321	0.5
137.09610	0.4
153.01814	0.4
171.10181	7.5
172.10652	0.4
173.06374	1.8
185.11809	0.6
189.05833	9.3
190.06172	0.6
201.11179	1.8
209.96124	0.4
231.21260	0.6
242.14778	0.4
275.20145	10.6
276.20474	1.1
291.19583	1.3
293.21222	10.7
294.21582	1.0
324.38852	0.4
355.15796	0.9
367.11954	0.4
373.16873	37.5
373.25873	2.0
374.17331	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1656
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
54.83566	0.2
59.01250	0.3
65.03835	2.2
67.01757	0.8
70.69918	0.7
70.70285	0.3
83.11838	0.2
87.04395	0.6
89.77206	0.3
91.05408	13.0
92.05733	0.4
93.03338	2.4
107.04893	0.4
109.02838	15.0
109.54782	0.2
113.05547	0.3
121.02846	6.9
122.03697	0.6
134.03607	0.3
135.04416	100.0
136.04752	3.8
137.06004	1.2
141.32901	0.3
147.04419	2.2
148.05205	8.4
149.05885	0.7
159.04446	2.0
160.05164	0.4
160.79929	0.2
161.06003	1.1
163.07558	10.7
164.07889	0.5
170.35728	0.2
175.07547	0.4
193.04797	0.2
193.08727	0.5
200.08403	0.4
215.10713	0.9
218.09280	0.3
221.08260	0.4
223.09775	0.4
225.11272	1.7
233.11807	3.3
234.12198	0.3
237.11185	0.3
251.12865	21.8
252.13275	1.2
373.16556	19.7
374.16977	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69022	0.5
59.01254	26.4
60.62500	0.4
63.34771	0.4
67.97668	0.4
69.03328	1.2
70.59697	0.4
71.01269	2.5
73.02818	1.3
81.03306	0.5
83.01251	0.9
85.02824	1.7
89.02357	1.0
93.03312	0.9
95.01278	2.2
97.02801	0.7
98.20558	0.9
101.02319	1.7
107.01272	1.2
107.04932	0.5
108.02076	3.9
109.02828	1.8
109.99989	0.8
113.02341	0.6
121.02845	1.7
122.05984	1.4
123.00769	5.7
123.04383	0.9
124.01580	6.4
125.02350	4.7
129.07027	0.6
131.08583	0.7
132.04439	2.0
133.02837	1.0
133.06488	0.9
135.00856	0.4
135.04385	0.5
137.02379	0.7
138.03224	0.5
147.08073	0.7
149.02307	1.1
150.03128	2.9
151.00266	1.8
152.07059	1.3
153.01842	4.7
157.06494	1.3
159.04408	1.2
161.02351	1.6
163.07579	2.2
167.03416	1.2
168.04141	1.8
169.01311	1.0
169.04987	0.5
173.04530	0.5
173.05983	1.1
175.07567	4.9
182.02162	2.8
182.03505	0.5
187.03943	1.9
189.05453	1.4
190.06387	0.5
191.05490	0.9
191.07066	7.2
193.08643	1.7
201.05472	2.2
203.07082	5.4
219.06569	1.0
221.08153	100.0
222.08490	7.3
241.04892	0.6
267.03925	0.5
269.09317	0.7
271.09714	1.6
281.05551	0.9
281.08383	0.6
282.06494	1.5
283.09711	3.6
297.08813	2.6
297.12177	0.7
301.10825	1.2
311.09482	0.6
329.11264	2.9
341.11588	2.1
345.09827	3.8
373.05118	0.6
373.09323	3.1
373.13751	0.5
373.18594	1.1
373.22681	0.5
398.95480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21407	0.4
52.88129	0.4
55.01762	8.3
57.03326	7.8
58.00469	3.7
59.01252	64.5
61.50936	0.5
69.03342	1.3
69.67615	2.6
70.83048	0.4
71.01255	100.0
72.01598	1.3
72.99189	3.3
73.02821	30.1
74.03157	0.5
75.00761	1.4
81.03342	0.7
83.01257	13.9
84.02028	0.6
85.02825	42.6
85.99965	1.0
86.03150	0.9
87.00749	4.1
89.02319	25.6
94.06635	0.4
95.01257	7.4
97.02824	2.0
99.00761	12.0
99.75674	0.4
101.02323	79.8
102.02674	1.7
111.00769	1.2
113.02332	38.8
114.02672	1.4
119.03394	9.9
123.04438	1.2
125.02335	2.2
129.01834	1.7
131.03423	1.1
133.22600	0.5
135.04449	0.6
137.09663	1.4
138.36351	0.4
139.11240	0.6
143.03407	5.0
149.02296	0.7
149.09608	0.5
151.11368	0.4
159.02907	8.4
161.04468	38.8
162.04758	1.1
170.51172	0.4
175.07532	0.7
177.01862	0.9
179.03375	0.4
179.05519	1.3
193.08722	0.4
205.03467	1.3
209.15428	8.7
210.15846	0.6
234.42291	0.4
272.07587	0.4
279.16174	0.6
371.20721	26.0
372.21130	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1499
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
57.03316	0.9
59.01250	7.0
61.32586	0.5
63.07187	0.5
65.03831	2.1
67.01762	0.8
71.01244	0.8
71.39005	0.5
79.85513	0.5
91.05405	13.9
92.05731	0.6
93.03352	3.5
98.20573	1.0
107.04932	0.9
108.02049	5.9
109.02837	17.7
117.03282	0.5
119.04990	0.5
121.02844	17.9
121.94015	0.5
122.03618	0.6
123.04416	1.4
132.02034	0.5
133.02853	8.5
134.03647	7.8
135.04413	100.0
136.04713	3.2
137.02481	0.6
137.06009	1.3
143.04924	1.0
146.03668	2.3
147.04411	5.0
148.01581	0.9
148.05193	6.3
149.05988	5.7
151.03917	1.0
157.02943	0.8
158.03632	1.2
159.04387	2.4
161.02354	0.7
163.03923	0.7
163.07587	4.8
165.05499	1.3
173.05971	2.5
176.04707	3.3
177.05496	4.0
178.02617	0.9
189.05476	0.6
191.07062	16.2
214.96147	0.6
249.11313	0.6
255.06567	0.6
265.05121	1.9
269.08005	0.9
279.06564	3.2
280.07391	3.7
295.09750	9.9
296.09933	0.8
311.09381	0.7
313.10840	5.5
327.19626	0.9
335.12808	0.8
353.13675	0.7
371.14948	77.5
372.15305	9.6
372.19482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1499
Annotation	Licoriphenone
Peak:m/z	Relative Intensity
56.87994	0.3
59.01251	3.5
60.48534	0.3
65.03835	10.4
65.54153	0.3
67.01752	2.6
70.86938	1.0
71.01241	0.5
91.01756	1.0
101.02341	0.3
107.04904	5.7
109.02838	100.0
110.03188	3.3
122.03606	3.0
133.02812	0.4
135.00797	1.1
135.04443	0.3
137.05997	3.7
140.41522	0.3
151.03925	32.8
152.04268	1.2
153.01857	0.6
163.03934	2.4
176.04648	0.5
180.70529	0.3
191.07135	0.6
207.10213	1.4
208.03882	0.3
215.88751	0.3
258.68121	0.3
347.20367	0.3
371.14902	8.5
372.15387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1497
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
57.03318	1.6
57.17682	0.4
59.01249	11.3
65.03831	2.3
67.01742	0.4
69.31217	3.3
69.31633	1.3
71.01265	0.6
78.95772	7.8
81.39352	0.5
83.19751	0.4
85.02843	0.4
91.05406	12.8
93.03336	3.3
93.06989	0.4
96.95914	0.5
96.96859	0.5
101.02325	0.8
106.04107	0.6
107.04935	0.8
108.02047	5.9
109.02838	18.8
110.03214	0.6
113.54077	0.5
119.04918	0.7
121.01966	1.0
121.02838	18.1
122.03451	0.4
123.04418	2.2
133.02853	9.9
133.06448	0.6
134.03644	6.3
135.04411	100.0
136.04738	4.7
137.05980	0.6
143.04955	0.8
146.03679	2.0
147.04449	3.9
148.01535	0.6
148.05205	6.4
149.02325	0.6
149.05984	6.1
150.03116	0.5
151.03909	1.8
157.02898	1.0
158.03627	1.1
159.04384	3.1
161.05994	0.7
163.03937	1.0
163.07532	4.2
165.05501	1.3
171.04431	0.6
171.10133	0.8
173.04561	0.6
173.05946	2.6
176.04713	2.5
177.05432	3.9
181.08192	0.5
189.05417	0.8
191.07062	17.1
192.07312	0.9
199.07550	0.7
219.10124	0.9
228.05396	0.5
229.68771	0.5
231.10156	0.9
249.11319	0.8
251.26639	0.4
255.06566	1.0
265.05075	1.6
265.07883	0.4
269.08157	1.1
271.07098	0.8
271.09747	0.6
279.06601	3.4
280.07288	3.8
281.07956	0.6
283.20563	1.7
295.06424	0.5
295.09695	10.8
296.10056	1.2
300.90228	0.5
313.10733	5.1
314.11053	0.7
327.19681	1.7
335.13107	0.7
355.11844	0.7
371.14957	73.6
372.10931	0.8
372.15338	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.15
Annotation	Licoriphenone
Peak:m/z	Relative Intensity
51.10820	1.1
54.25164	1.1
58.41103	1.1
59.01252	22.5
61.98697	1.3
65.03830	3.0
69.03345	1.5
70.44918	1.2
71.01263	1.4
71.14016	2.8
75.98815	1.2
89.02262	1.7
91.05407	15.0
93.03337	3.3
95.01260	1.4
108.02048	2.0
109.02832	21.0
111.50169	1.3
121.02846	8.4
122.03693	1.1
123.04420	18.9
124.01610	1.7
124.20769	1.2
125.02364	9.8
135.04416	100.0
136.04774	3.9
137.02342	8.3
137.05942	1.6
147.04398	7.5
148.05199	15.8
151.03915	95.0
152.04288	3.7
163.03909	1.3
163.07547	20.1
164.07855	1.7
164.52956	1.2
173.06018	5.2
186.06862	1.2
201.05460	2.0
204.07906	5.6
215.10710	1.8
216.07907	2.6
219.10219	13.3
220.10687	1.7
231.10115	6.3
232.87900	1.4
233.11818	15.4
234.12082	1.3
310.57217	1.4
341.14023	8.5
353.13950	6.0
371.15009	21.5
372.15231	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	67.3
65.03808	2.9
69.34426	29.1
71.01248	4.1
71.26891	2.8
78.95768	3.7
91.05396	6.9
95.04949	2.7
96.12754	2.4
98.19833	5.4
108.02044	4.9
109.02826	14.9
120.12051	2.6
121.02826	4.2
123.08030	3.2
135.04405	57.7
136.04697	3.4
155.10670	8.3
159.04420	4.3
161.02354	5.3
171.10231	15.0
173.04428	4.7
173.05849	3.0
183.04425	9.5
187.03995	15.5
191.05574	4.7
209.05943	4.1
211.03960	27.6
213.05458	8.9
217.10793	8.6
221.05988	4.3
224.04655	3.8
225.05484	5.8
226.06421	4.5
227.03470	19.4
237.05516	2.9
239.03612	3.2
240.04208	5.8
241.05092	3.8
249.11386	7.4
253.05032	19.3
254.05499	4.0
255.02989	89.2
256.03317	4.8
265.05078	26.3
268.03870	4.0
269.04425	3.2
270.05334	54.7
271.13065	3.9
279.10193	8.4
280.11023	7.0
281.04489	18.0
281.07785	5.2
282.08835	3.2
295.09665	5.0
296.10236	4.6
307.09592	4.9
308.10547	13.4
309.11420	6.9
320.38025	3.0
323.08975	3.2
324.10037	43.3
325.10367	4.3
339.12366	100.0
340.12650	12.9
371.14963	8.8
371.19797	4.2
371.24396	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05408	0.5
59.01252	100.0
60.01587	1.0
69.69085	2.1
69.69497	1.5
79.92999	0.5
98.19843	0.5
101.46089	0.5
107.49769	0.6
115.72902	0.6
199.92183	0.6
208.87329	0.7
277.42783	0.7
315.13992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
57.03320	3.7
58.00471	4.6
59.01254	100.0
67.01768	2.4
69.60999	1.9
70.11584	4.3
70.11995	6.7
71.01257	52.8
72.99178	6.7
73.02817	22.2
79.80074	1.9
83.01263	6.5
85.02821	9.3
87.00765	3.8
89.02319	39.3
93.03326	3.3
94.76586	1.9
95.01251	3.8
101.02322	43.8
104.87622	2.1
109.02802	2.5
113.02322	16.6
116.07158	2.3
119.03401	19.6
121.02869	4.6
123.04391	2.3
131.03404	3.6
134.66005	2.7
135.04404	7.6
136.05196	3.5
137.02335	7.8
139.03920	2.5
143.03444	2.8
147.08040	2.9
149.04778	3.5
149.05978	33.7
150.03174	2.3
152.01094	4.3
155.28958	2.0
161.02341	2.4
161.04451	2.6
164.04767	3.5
165.01883	2.0
165.05428	4.0
167.03412	8.0
173.04471	5.8
179.05556	2.9
191.03938	2.0
191.05545	13.1
197.04538	3.9
209.04510	4.6
209.08104	6.4
213.09366	2.0
371.09839	4.6
371.13538	52.1
372.13705	4.6
372.20270	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1134
Annotation	Phellodensin C
Peak:m/z	Relative Intensity
57.03325	0.7
59.01253	7.3
64.15741	0.4
65.03828	2.5
65.47401	0.4
65.74909	0.4
69.51402	3.3
71.01248	1.2
83.04877	0.4
91.05412	18.6
92.05753	0.5
93.03334	4.3
101.02319	0.7
108.02043	0.7
109.02820	2.4
111.29896	0.5
113.02335	0.6
121.02855	0.6
123.04394	1.4
125.09615	0.7
133.02867	6.1
134.03662	3.9
135.04419	100.0
136.04753	3.8
137.02309	0.8
147.04398	0.5
149.05988	13.0
150.06349	0.7
156.63187	0.4
159.04422	12.5
161.02350	5.6
163.03902	0.5
173.04590	0.5
173.06029	0.5
185.11795	0.5
191.05521	0.9
199.07602	0.9
209.08180	1.8
217.08629	1.5
235.09729	4.4
253.04950	0.5
266.05743	0.7
267.06714	1.3
277.05060	10.8
278.05417	0.6
281.04672	0.9
292.03860	0.7
295.06067	2.3
295.09348	0.8
317.08130	1.1
335.09219	3.7
353.10300	34.8
354.10715	3.6
358.67993	0.5
371.11374	16.0
371.15216	4.1
371.24362	8.1
372.11636	1.7
372.24557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19419	1.1
59.01249	100.0
60.01606	1.1
67.01768	1.1
69.38533	11.0
71.01254	8.3
72.01708	1.0
73.02820	2.5
79.32136	1.1
82.05656	1.0
83.01258	1.9
85.02831	5.8
87.00774	1.7
89.02328	1.3
93.03342	3.6
95.01247	1.8
97.02813	1.2
99.00751	2.2
101.02322	5.1
108.02068	1.4
109.02843	3.2
111.00756	1.3
113.02319	5.5
119.01285	1.4
121.02812	1.9
122.26864	1.1
123.04388	2.7
124.30116	1.1
125.02353	1.6
135.04428	2.0
137.02357	8.6
151.00343	1.7
152.01056	2.3
153.01825	7.4
159.02887	1.6
161.04477	14.4
163.00290	6.3
165.01878	5.6
171.85393	1.1
173.04500	2.3
177.01804	1.4
181.01291	3.4
187.24989	1.1
190.99779	16.4
191.05536	7.6
193.01366	1.3
193.06018	1.9
205.01416	1.9
208.00058	3.1
209.00848	27.5
210.01167	1.6
221.06612	10.1
292.08267	1.4
307.19055	1.2
371.05829	5.3
371.09979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.8
59.01253	5.0
62.69893	0.8
67.01762	2.6
67.86242	0.7
69.61856	3.8
71.01265	4.7
72.99187	1.2
73.02821	2.7
77.33578	0.6
85.02838	7.8
87.00755	16.1
89.02303	0.9
93.03339	17.8
101.02318	1.4
109.02824	2.8
111.04419	4.0
113.02349	1.1
121.02849	0.8
122.03648	2.2
123.04375	3.4
127.03917	1.7
129.01822	0.8
134.03635	2.2
135.04420	84.8
136.01529	3.0
136.04724	2.9
137.02353	3.6
149.06003	2.0
151.03934	4.6
152.01048	1.5
153.05508	2.4
155.03400	2.4
161.02347	2.1
164.04686	1.3
165.01801	0.6
165.05492	1.3
167.03416	2.8
173.04475	37.6
174.04779	1.7
179.03429	5.9
179.05659	0.6
179.07080	1.9
183.05568	0.6
191.05542	100.0
191.82765	0.7
192.05890	2.9
197.04480	6.6
207.06664	0.7
208.00043	1.5
209.02975	1.2
227.15955	0.6
235.06015	4.1
265.06964	0.7
295.08057	1.2
317.46912	0.7
341.08707	2.1
350.92316	0.7
353.08743	4.7
371.09830	29.0
372.10126	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40249	0.7
67.01754	7.1
71.06895	1.7
74.93153	0.7
90.75376	0.8
91.05418	2.9
94.04665	0.7
105.06970	1.5
108.02014	0.8
109.02792	0.7
117.06964	7.6
120.13901	0.8
121.02850	1.7
123.04370	1.0
134.03636	12.1
135.04414	43.5
136.04741	1.0
147.04430	11.8
148.05212	15.3
149.05986	3.9
152.73714	0.7
153.05481	15.0
159.04428	1.8
160.05194	5.7
161.05984	61.6
162.06364	3.6
165.05479	54.0
166.05827	1.7
173.05963	1.9
177.09109	13.2
179.07056	28.2
180.04150	0.8
180.07349	1.6
189.09132	24.5
190.09502	2.3
191.07065	13.7
203.10707	100.0
204.11061	6.7
215.10722	19.4
215.12831	0.8
216.11194	1.0
356.84933	0.8
369.17099	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86150	0.7
55.01755	1.0
57.03305	2.0
58.00463	2.5
59.01251	64.5
69.03343	1.5
71.01256	27.6
71.35265	1.7
72.99188	2.1
73.02818	6.3
74.48440	0.7
78.95770	2.1
79.13651	0.9
83.01260	4.5
83.04834	0.8
85.02821	13.1
85.24022	0.7
87.00765	3.9
89.02319	16.0
93.03374	1.0
95.01268	3.1
95.04855	0.6
96.95914	0.8
96.96915	0.7
97.02815	1.8
98.58258	0.8
99.00752	3.4
101.02325	18.0
110.65443	0.8
111.00761	1.0
112.01557	1.6
113.02335	11.3
119.03395	4.7
121.02853	7.5
123.04409	0.9
123.08041	1.1
131.45587	0.8
132.20546	0.8
135.08018	1.8
137.02328	1.1
137.09613	0.9
143.03384	0.9
147.08087	2.8
148.05205	1.6
149.09612	13.4
150.09970	1.1
161.09642	4.1
163.07529	5.0
163.11218	1.6
164.08348	1.9
165.09120	87.9
166.09436	5.4
171.10127	0.9
173.04504	1.3
173.06029	1.2
176.08324	1.4
177.09074	0.9
178.31772	0.9
179.03319	0.9
185.09546	0.9
187.07542	1.4
189.09129	15.3
190.09500	1.3
191.05522	2.1
191.10724	7.4
201.09116	1.9
203.10732	1.8
207.10173	8.3
207.16855	0.8
215.10654	4.8
216.71252	0.8
219.10222	2.9
221.11804	1.7
231.10167	2.1
243.10240	3.5
249.11351	1.4
263.50220	0.9
291.12253	4.2
309.13416	57.3
310.13812	6.1
324.66980	0.8
327.14481	100.0
328.14758	9.7
369.15366	3.9
369.22937	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1341
Annotation	Dioclenol
Peak:m/z	Relative Intensity
59.01241	1.2
60.15242	0.3
62.91856	0.3
70.06115	0.3
70.08451	0.3
71.01245	0.6
71.58273	0.7
93.03339	0.8
93.56243	0.3
108.24911	0.3
109.02817	0.5
112.91096	0.4
119.04915	100.0
120.05249	3.3
131.88240	0.3
133.02858	0.5
135.04419	0.6
149.02333	0.5
149.06006	0.7
150.06105	0.3
171.10179	0.5
177.18959	0.3
224.04799	0.3
229.90309	0.3
232.50079	0.4
235.53290	0.3
237.05927	0.4
252.18770	0.3
279.06714	2.1
279.09192	0.4
297.07690	0.4
325.14282	0.7
325.23727	0.5
337.10715	1.0
339.12238	0.5
369.13403	21.6
369.22534	0.9
370.13724	1.9
391.25623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02478	0.9
59.01256	1.2
60.99174	1.8
67.01758	4.1
71.01252	1.7
71.37347	1.9
73.02802	0.9
75.26457	0.8
85.02832	4.1
87.00735	6.3
93.03341	24.2
109.02846	1.8
111.04449	3.9
121.02941	1.0
122.03648	1.1
123.04434	26.0
127.03918	1.5
129.01797	1.0
133.02846	9.4
135.04390	1.2
137.02371	1.3
149.02321	1.4
151.03915	3.2
161.02335	2.5
173.04472	39.0
174.04832	2.2
177.01862	10.4
191.05547	100.0
192.05933	5.5
194.02177	1.0
195.02924	18.9
196.03369	1.1
215.05571	2.2
254.71260	0.8
328.95294	0.9
330.10193	0.8
331.14404	1.0
351.07224	3.2
368.97705	0.9
369.03824	1.6
369.08249	22.6
370.08652	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.7
59.82371	0.8
67.01770	5.7
69.03335	1.3
71.00894	1.2
71.01249	6.5
71.37160	1.6
81.03336	2.3
83.04890	1.5
85.02817	12.7
87.00751	4.6
93.03336	31.3
95.04905	1.5
99.04385	1.3
105.03367	4.4
107.04916	2.5
109.02849	3.8
111.00761	1.6
111.04412	6.6
119.22540	0.8
121.02860	1.0
122.03638	2.3
123.04420	33.2
127.03902	3.1
133.02855	22.1
135.04468	1.7
137.02339	5.3
147.04362	1.5
149.02303	1.8
150.03056	1.6
151.03925	37.9
152.04216	1.1
154.02507	0.9
155.03403	4.3
173.04469	100.0
174.04785	4.0
177.01849	15.9
191.05545	60.7
192.05902	2.3
195.02931	31.3
196.03259	1.3
261.62531	1.1
267.30725	1.0
346.84308	1.1
369.08472	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01218	0.6
61.95049	0.4
69.26159	1.4
69.26593	2.8
84.77997	0.4
85.61728	0.4
97.69666	0.4
127.51253	0.4
131.58054	0.4
133.06490	11.2
133.71217	0.4
149.09624	88.4
150.09961	4.2
167.72734	0.3
184.86082	0.4
194.09386	1.1
205.15919	50.8
206.16191	3.5
295.16974	4.1
296.17578	0.8
328.16870	2.4
329.17197	0.4
367.26407	100.0
368.26743	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.2
59.01250	11.5
67.01764	4.0
69.03330	2.1
71.01260	9.5
71.07427	2.2
72.99158	1.1
73.02823	7.9
77.39182	0.8
81.03330	2.1
83.01252	2.4
83.04881	0.8
85.02823	10.8
85.03295	1.1
87.00748	8.4
89.02334	1.9
93.03342	30.3
94.03693	1.2
95.01276	1.0
99.00745	1.2
101.02331	5.2
105.03323	1.5
107.04906	1.6
108.02029	1.2
109.02836	2.0
111.04395	5.6
113.02385	1.2
119.04955	1.5
121.02880	1.1
122.03635	1.5
123.04419	37.7
124.04762	1.7
125.02305	1.0
127.03891	1.9
129.01839	0.9
133.02831	8.1
135.04434	1.9
147.04428	41.2
148.04800	1.1
149.02388	1.5
151.00299	1.4
151.03889	4.6
155.03386	1.8
161.04501	0.8
173.04469	31.1
174.04906	0.9
177.01868	8.1
191.05548	100.0
192.00650	1.8
192.05881	5.0
195.02911	13.7
206.99400	1.0
207.02956	2.2
207.04935	1.4
215.05644	1.0
369.03860	1.3
369.08270	21.0
370.08575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1655
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01240	7.1
69.03313	2.6
71.58116	2.1
74.51359	1.7
75.00736	5.8
84.62261	1.8
85.35683	1.6
96.95905	2.1
103.51229	1.5
119.04919	1.9
119.08568	11.2
125.09653	2.4
127.11153	2.8
133.31239	1.6
137.09618	11.4
161.01224	1.5
167.10641	1.9
171.10197	48.8
172.10559	2.8
183.10127	2.8
185.11778	10.6
193.08388	2.3
201.11264	3.5
207.09900	9.1
213.11244	3.1
229.04839	2.1
229.19608	2.9
245.19066	1.9
273.18600	4.7
291.19614	13.3
309.20712	50.1
310.21213	5.1
313.17871	7.7
367.16568	100.0
367.24307	3.4
368.16873	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
67.01763	3.2
69.03333	1.0
69.53486	8.7
71.01260	9.2
72.99161	1.6
73.02820	3.4
79.53685	1.1
81.03303	1.3
83.01246	1.3
85.02828	6.8
87.00741	2.3
89.02321	4.7
93.03334	15.4
95.01276	1.6
95.42159	1.1
99.00780	1.9
101.02309	7.1
105.03365	1.7
109.02846	1.1
111.04424	2.9
113.02347	4.3
116.97228	1.0
117.03384	2.5
118.74847	1.0
119.04874	2.1
121.02863	10.4
122.03654	6.9
123.00832	1.1
123.29716	0.9
124.01545	1.3
125.02360	1.2
127.03936	1.4
131.94798	1.0
134.03639	27.3
137.02330	6.3
139.03931	5.9
149.02362	17.4
149.05971	2.5
151.03934	1.7
153.01892	1.2
154.02640	4.0
155.03442	2.1
161.04465	3.0
163.03958	1.9
165.01892	3.2
173.03090	0.8
173.04468	21.4
175.00281	1.0
176.01079	1.5
177.01855	1.4
191.05536	25.9
193.01392	8.9
193.03014	1.4
193.04970	26.3
194.02071	4.6
194.05399	2.7
231.80980	1.0
235.11777	3.6
263.24240	1.1
265.12845	5.4
266.13150	0.9
362.04608	0.9
367.06677	3.3
367.15976	2.9
373.50961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.3
57.03312	2.9
58.00460	0.8
59.01250	44.4
60.01603	0.9
69.03326	0.9
69.27378	7.8
71.01254	33.1
72.99181	2.9
73.02821	13.2
75.00728	1.2
75.31666	0.7
83.01252	7.4
83.43488	0.7
85.02822	20.5
85.99947	1.2
87.00739	2.9
89.02319	5.7
93.03311	4.8
95.01252	2.3
97.02801	0.8
99.00760	6.4
101.02322	37.1
111.00758	1.7
111.04371	1.0
113.02342	12.1
119.03417	0.8
119.04914	12.4
121.02824	2.3
125.02374	1.4
127.73547	0.8
129.01814	1.3
131.03383	1.1
134.03639	1.9
137.02338	0.9
139.03867	1.2
141.01959	0.8
143.03387	1.4
149.02327	4.3
154.02542	0.7
159.02890	3.4
161.04456	17.3
163.03928	10.5
173.04483	3.5
175.00317	1.2
177.01851	1.0
191.05534	12.6
193.01366	2.4
193.04895	1.5
231.26520	0.7
235.11830	100.0
236.12183	5.8
265.12952	2.2
279.10803	1.1
346.09924	0.9
367.16077	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51230	0.4
59.01242	4.3
67.01765	0.7
71.01254	1.7
73.02844	0.6
76.52776	0.4
83.01283	0.4
83.22354	0.4
85.02831	1.5
85.11959	0.6
86.45525	0.4
87.00763	0.6
89.02306	0.7
93.03313	4.0
99.00765	0.7
99.87030	0.4
101.02332	0.4
108.03027	0.4
111.00757	4.6
111.04422	0.6
113.02339	0.6
119.04914	100.0
119.96903	0.4
120.05246	4.4
121.02843	0.6
129.01805	0.5
134.03552	0.4
135.04407	0.7
147.04391	0.4
149.02370	0.8
161.02252	0.4
163.03915	75.0
164.04277	3.8
173.00816	1.0
173.04489	2.2
177.01787	0.7
183.47226	0.4
191.05528	3.8
193.01166	0.5
203.11609	0.4
205.04906	0.6
205.08612	0.5
214.86696	0.4
367.10339	0.9
367.18323	0.7
387.18585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03322	0.7
59.01253	3.4
60.47309	0.3
60.99172	1.4
66.13782	0.4
67.01768	5.7
69.03337	1.6
69.53938	3.0
69.54233	0.4
71.01254	3.2
73.02824	1.0
81.03342	1.2
83.04893	1.2
85.02823	7.2
87.00759	7.6
89.02321	0.8
93.03342	31.4
94.03672	1.4
95.01283	0.5
98.20515	0.9
99.00758	1.1
99.04409	0.4
101.02342	0.8
109.02918	0.5
111.04400	5.2
113.02326	1.5
117.03353	1.7
119.04910	1.1
127.03907	1.5
129.01860	1.0
130.28355	0.4
134.03642	14.9
135.04019	0.6
137.02350	1.6
141.01826	0.4
149.02347	0.4
149.05988	1.2
153.01755	0.7
155.03391	1.9
160.01665	0.6
161.04338	0.3
163.03922	1.9
173.04483	23.4
174.04823	0.7
175.03841	0.5
186.22115	0.7
191.05550	100.0
192.05908	3.0
193.04988	8.0
194.05362	0.5
203.23195	0.4
212.35439	0.4
213.99458	0.5
218.50591	0.4
255.61658	0.4
339.92755	0.4
367.10324	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
56.30237	0.4
59.01265	0.6
61.76148	0.5
68.69936	0.4
69.83229	2.6
85.06467	2.0
109.69347	0.5
131.18204	0.4
162.73260	0.4
199.13315	1.0
261.18509	1.1
279.19638	15.0
280.19962	0.9
347.25909	6.2
363.25629	0.5
365.26965	100.0
366.27325	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02641	1.2
57.03331	1.1
59.01249	8.6
59.56920	1.1
61.01218	1.0
71.01231	1.2
71.04891	18.1
71.57468	0.9
89.59188	1.1
89.98083	1.0
96.95870	7.5
97.06448	7.4
101.88688	1.3
111.08075	1.7
149.96880	1.1
177.12791	1.2
207.13782	1.8
225.94641	1.0
235.17007	3.5
247.20750	1.8
273.18390	2.8
285.24115	1.5
291.19662	100.0
292.19965	9.4
317.64273	1.1
365.19852	2.3
384.35022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77525	0.4
57.03314	1.4
59.01048	0.3
59.01254	3.7
71.01247	0.6
71.40159	0.3
71.49667	0.8
81.03320	0.5
83.04916	0.9
86.97288	0.3
89.02354	0.5
91.03891	0.9
93.03327	0.4
93.06944	0.5
95.04905	0.7
96.95909	0.7
97.06461	1.3
111.08057	4.0
113.09580	0.4
121.10121	7.6
123.08077	0.5
125.09607	5.0
141.09064	0.5
141.12773	0.7
147.08061	0.9
165.12788	1.1
166.54100	0.4
167.10669	1.1
177.12752	0.4
179.10707	0.5
180.04706	0.3
185.11772	9.3
195.13850	3.0
197.11832	1.8
209.11775	1.6
211.13435	0.9
223.13330	0.8
247.20598	2.1
267.07642	0.7
273.18549	1.6
289.18115	0.8
291.19666	100.0
292.20013	9.5
365.14957	1.0
365.23276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95754	0.7
57.87241	0.9
59.01242	6.0
63.29152	0.9
70.14867	3.8
71.01231	1.2
71.04892	21.4
72.41740	0.9
91.03872	0.9
96.95870	4.1
97.06473	6.8
137.22075	0.9
181.12270	2.0
207.13831	3.5
217.15871	1.3
219.13803	3.5
235.16974	3.7
247.20625	2.6
273.18631	1.8
291.19656	100.0
292.19952	10.1
292.22949	1.4
365.19717	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80512	4.6
55.48443	3.8
70.91441	7.7
71.51724	4.2
79.68864	4.5
89.02314	5.0
121.10149	27.2
122.10444	4.2
169.24385	4.3
171.10182	55.0
216.16447	3.8
231.20963	6.7
269.06815	4.6
275.20157	100.0
276.20526	11.5
276.27515	4.6
293.21231	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26072	0.5
57.03327	1.3
59.01259	3.7
70.08967	3.3
91.03905	1.4
96.95904	1.3
97.06481	1.5
121.10121	11.6
123.08038	1.2
125.09618	7.1
141.12726	1.7
141.20650	0.5
147.08009	1.4
184.80402	0.6
185.11761	12.6
197.11748	3.2
201.02504	1.1
209.11746	1.5
211.13344	1.7
223.13272	1.0
247.20654	1.0
273.18613	1.6
289.18155	0.8
291.19650	100.0
292.19962	8.2
321.79449	0.7
329.17349	0.7
347.26056	1.6
365.23193	2.0
365.27209	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03307	1.5
58.00455	0.9
59.01254	86.0
60.01600	1.2
60.01880	0.9
71.01254	19.5
71.01611	0.8
71.58241	0.9
72.99177	2.1
73.02823	25.8
83.01267	4.9
85.02823	12.7
87.00764	2.0
89.02315	7.2
93.03316	1.3
95.01281	2.0
99.00771	3.6
101.02332	22.4
111.00758	2.0
113.02340	9.8
116.04926	1.1
119.03358	2.9
125.02333	1.3
129.01842	1.2
135.04425	1.6
142.06526	5.6
143.03429	1.0
159.02951	1.3
159.92305	0.8
161.04451	6.2
173.04584	1.1
183.71687	0.9
185.11768	1.7
186.05548	2.8
191.05528	1.5
203.12831	2.0
204.06557	1.2
282.73706	0.8
291.14575	1.5
305.16037	6.9
335.17099	0.9
347.17139	7.5
361.46948	1.1
365.18164	100.0
366.11954	2.7
366.18399	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.6
56.76711	0.5
57.03326	1.9
58.00460	1.2
59.01253	40.7
69.03327	0.8
69.61213	2.3
69.61636	2.2
71.01257	18.9
72.99187	1.6
73.02822	7.7
75.00741	0.8
83.01279	4.7
85.02831	8.7
85.06444	0.6
85.99947	1.5
87.00755	2.2
89.02327	6.3
95.01280	1.6
99.00738	3.3
101.02330	18.4
101.03004	1.0
109.56321	0.6
111.00774	1.8
113.02352	6.9
115.65346	0.5
119.03417	2.8
125.02359	0.5
129.01849	0.5
135.04395	0.8
144.51701	0.6
155.10626	0.7
157.12247	1.3
159.02931	0.8
159.10202	1.4
161.04454	4.2
179.14482	0.6
182.34293	0.6
185.11775	2.7
191.05493	0.9
201.11249	0.9
203.12825	9.6
208.50771	0.7
305.15970	1.2
321.96008	0.6
323.17029	0.8
347.17096	17.7
348.17416	1.0
365.18161	100.0
366.18503	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85142	0.7
59.01253	100.0
69.59898	5.4
71.01244	2.8
73.02828	1.1
80.96385	10.1
85.02827	1.3
86.73035	0.7
90.35644	0.8
96.95895	1.1
108.02081	1.1
109.02843	2.4
127.54018	0.8
133.02853	0.9
133.78380	0.8
135.04437	2.6
147.04395	1.1
175.07610	0.9
181.23300	0.8
197.11787	0.8
199.07590	0.9
268.07397	1.9
283.09641	2.3
321.11218	0.9
347.12778	1.4
365.06992	3.7
365.13980	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.2
57.03317	1.3
59.01252	86.4
60.01626	1.2
62.49400	0.9
71.01254	16.8
71.29676	2.6
72.99180	1.4
73.02822	19.2
74.97707	1.0
75.00762	1.3
83.01260	5.3
85.02827	10.4
89.02318	5.2
94.75184	1.0
95.01273	1.5
96.92640	1.0
99.00763	3.7
101.02328	17.4
102.02653	1.0
110.26761	0.9
111.00743	1.1
113.02323	6.4
116.31057	0.9
119.03384	2.1
142.06506	2.8
159.02846	1.5
161.04465	4.6
185.11749	1.4
186.05580	1.6
203.12759	1.0
305.16049	4.4
347.17160	6.2
365.18146	100.0
366.11887	1.8
366.18533	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1392
Annotation	O-Methylovaliflavanone C
Peak:m/z	Relative Intensity
50.51938	0.5
54.29556	0.5
57.76473	0.5
59.01242	1.7
61.46487	0.5
71.01274	0.5
71.58936	0.8
73.66425	0.5
81.03363	0.6
85.02853	0.6
86.22614	0.5
88.09103	0.5
91.05414	0.5
93.03337	0.6
95.04890	0.8
96.95898	2.2
97.17786	0.6
105.03294	0.5
107.04926	0.6
108.02058	2.3
109.02837	47.9
110.03204	1.5
119.04889	0.9
121.02825	2.9
122.03640	0.9
123.04398	4.1
131.04935	0.8
133.02864	0.7
134.03616	2.7
135.04416	60.0
136.04732	2.9
137.02327	1.2
143.04939	1.7
145.02843	2.7
145.06480	2.2
146.03638	10.7
147.04422	12.2
148.05202	6.5
149.05989	11.5
149.09647	0.6
150.06351	0.8
155.04915	1.7
156.05739	1.1
158.03642	4.6
159.04422	34.5
160.05225	3.2
161.02406	1.0
161.05991	4.0
163.03922	7.5
163.07544	0.6
169.06554	0.6
171.04457	1.7
171.08035	0.9
172.05206	9.5
173.05994	41.2
174.03203	1.3
174.06784	8.4
175.03937	4.1
175.07565	9.5
176.03279	1.1
176.04720	16.3
177.05437	2.2
177.09076	1.1
183.04453	1.3
184.05280	0.7
185.06003	9.5
186.06786	5.3
187.03949	12.5
187.07568	24.1
188.04721	10.0
188.08083	2.5
189.05493	11.9
189.09084	2.8
196.05200	2.2
197.06009	4.1
198.06747	1.0
199.03915	2.0
199.07596	9.2
200.04730	11.9
200.08159	1.6
201.05498	8.3
201.09131	5.3
202.06064	1.1
202.09363	0.6
203.03430	0.8
203.07121	2.5
205.08644	15.5
206.08923	1.2
209.06076	1.3
211.03862	0.7
211.07542	5.9
212.04597	0.6
212.08292	0.8
213.05557	4.5
213.09122	1.1
214.06303	8.7
214.09631	1.0
215.07088	52.1
216.07787	11.0
217.08650	100.0
218.08978	5.8
223.07620	2.1
224.08217	1.0
225.05542	1.7
225.09152	4.7
226.06328	10.1
226.08527	0.8
226.09560	0.7
227.06924	2.3
227.10715	1.9
228.07826	1.8
229.08669	31.0
230.08998	2.7
231.06630	0.8
232.03706	2.8
237.09225	1.3
239.07108	1.1
240.04292	3.3
241.08623	1.3
242.09425	1.0
243.07735	0.7
243.10229	14.0
244.10583	1.0
245.62776	0.6
249.05438	1.0
249.07724	0.7
251.07184	0.7
255.10257	23.6
256.10504	1.3
262.06454	0.6
263.07074	1.6
264.07874	3.1
265.05048	1.2
265.08173	0.8
265.12280	1.6
266.05786	1.6
267.06616	2.6
268.07376	5.0
269.07721	0.8
274.06543	0.8
275.07080	1.5
276.07657	0.7
277.05069	1.7
277.08362	0.8
278.05957	1.0
278.09338	1.1
279.06686	1.8
279.10089	0.5
280.07346	1.0
289.08646	0.7
291.06604	3.9
292.07419	11.7
292.10565	1.1
293.08102	4.9
293.11789	1.6
303.10294	0.6
304.11044	0.8
305.08148	1.3
306.08951	2.2
307.09616	2.4
308.10513	2.4
309.11224	2.0
317.08221	1.9
318.09009	1.2
320.10449	0.8
321.11310	29.5
322.11719	4.1
327.21832	1.2
335.09433	1.2
336.09933	2.8
337.14444	2.0
347.12851	8.4
348.13275	1.3
365.13898	87.1
366.14264	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29292	0.6
55.01764	1.3
57.03329	1.2
58.00473	1.7
59.01254	100.0
60.01598	2.0
68.39151	0.5
69.50140	1.6
69.50552	4.1
71.01257	49.0
72.99185	2.4
73.02821	24.9
83.01250	7.7
85.02824	11.8
85.03291	0.9
86.03132	0.6
87.00778	2.0
89.02322	26.3
93.03364	0.7
95.01264	4.3
96.95881	0.6
97.02883	1.0
98.20558	1.0
99.00774	1.9
101.02326	29.3
102.02673	0.8
113.02335	26.5
114.00116	0.6
114.02707	0.7
119.03397	11.4
125.02373	1.4
130.06516	1.3
131.03467	2.1
142.06514	3.5
143.03427	2.0
149.04541	1.5
154.06100	0.7
160.07600	5.3
161.04486	6.3
179.05533	3.0
215.74806	0.7
285.97968	0.6
304.11877	12.2
304.14911	0.8
305.12405	1.0
322.12973	22.8
323.13361	2.4
364.13974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27111	26.1
57.77789	29.8
59.01244	100.0
62.71486	22.6
66.71165	23.9
71.57822	34.2
80.21159	27.8
96.95886	58.7
105.61846	23.2
135.16475	24.3
163.46796	24.1
171.10059	33.5
193.08519	37.5
197.10954	25.3
213.11414	28.6
237.40488	26.1
327.21570	91.2
363.08292	40.9
363.21912	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76727	1.1
53.29792	1.1
53.80032	1.2
55.01741	1.1
56.63904	1.1
57.03328	8.9
58.00473	2.4
59.01250	100.0
63.52810	1.2
69.26292	1.6
69.26647	13.9
70.45761	1.0
71.00893	1.8
71.01253	20.2
72.99174	2.1
73.02803	5.3
77.07145	1.2
78.49892	1.3
83.01266	2.7
85.02827	8.5
87.00748	1.2
89.02312	13.0
94.33368	1.2
96.10791	1.1
98.19747	2.0
101.02319	20.5
113.02313	10.4
119.03400	5.6
123.08021	2.0
141.09171	1.1
159.02829	1.4
161.04474	2.9
183.10258	8.5
186.25055	1.2
303.14679	1.9
307.97794	1.3
321.15500	1.6
336.94308	1.4
363.16574	57.3
364.16992	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03314	1.5
58.00460	1.1
59.01250	29.4
69.44165	5.4
69.44590	3.4
71.01255	18.1
72.99182	16.4
73.02818	7.6
83.01254	4.3
84.96825	0.9
85.02837	8.2
85.99925	1.0
87.00755	1.7
89.02314	5.6
95.01245	2.2
98.19828	1.7
99.00756	2.3
101.02328	16.4
113.02326	7.0
119.03407	1.1
152.01009	1.2
155.10730	1.2
161.04498	1.0
164.03493	1.1
171.94145	0.9
183.10237	2.3
201.11282	7.8
239.39128	1.0
345.15503	1.4
363.16605	100.0
364.16965	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.5
58.40554	1.2
59.01254	84.8
59.37297	1.2
65.99721	1.8
70.01009	5.6
71.01259	11.9
73.02821	6.1
73.75653	1.2
75.11973	1.5
79.11826	1.3
82.02857	30.4
82.03322	2.2
83.01254	5.1
83.03180	1.8
83.04914	1.6
85.02835	3.6
85.92943	1.2
87.00750	1.4
89.02323	4.3
93.03358	3.1
94.02865	3.8
95.01295	1.8
96.95934	1.9
101.02350	6.3
113.02326	4.1
119.03439	1.5
121.16239	1.4
122.02360	2.5
122.06013	4.0
136.03941	26.9
138.05472	2.9
139.05885	2.4
143.68381	1.4
159.10193	2.9
164.03464	39.5
165.03868	1.5
171.95183	1.3
176.03900	2.1
176.07150	2.5
180.02896	1.4
181.12334	1.4
182.04494	4.9
191.05611	1.7
194.04523	22.2
195.05309	6.0
196.06090	27.3
202.08646	2.7
204.06667	1.6
217.06062	1.7
231.07690	1.9
244.09770	7.1
245.09258	4.3
258.06561	1.9
259.07355	2.9
259.10693	3.0
269.09366	2.4
270.07648	3.3
271.07202	3.5
287.10367	100.0
287.80420	1.4
288.10770	7.3
291.09839	2.5
303.14426	4.9
303.21707	4.9
313.08340	2.0
319.12906	2.5
321.15659	6.5
329.57935	1.6
331.09332	27.8
332.09518	3.1
345.22687	3.8
363.12039	3.0
363.16772	11.6
363.23883	34.0
364.24020	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84640	1.2
56.42054	1.3
59.01252	26.0
65.49712	1.2
66.37885	1.5
69.39478	8.1
69.39898	4.1
75.94546	1.2
76.16446	1.2
85.19159	1.2
208.15874	1.3
279.23282	100.0
279.58005	1.3
280.23672	9.4
361.15060	2.8
361.23520	15.5
361.27527	1.7
362.23749	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01571	3.8
61.56145	1.8
62.20819	1.7
69.32994	22.0
70.84118	1.8
71.01256	13.6
72.99140	2.1
73.02820	5.0
76.58560	2.1
85.02836	3.8
89.02312	7.3
101.02328	7.7
113.02333	4.6
119.03413	2.8
133.03221	2.0
140.07076	62.1
161.04500	2.9
183.10117	4.1
191.05536	2.7
242.26605	2.1
302.12701	2.3
336.50598	2.3
362.15363	6.2
363.16586	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03323	0.8
58.00469	1.1
59.01250	100.0
60.01588	1.1
64.15337	0.2
69.03318	0.4
71.01252	22.2
71.15910	0.2
71.58809	0.3
72.01598	0.3
72.99197	1.1
73.02818	6.3
75.00758	0.8
77.24953	0.2
77.67712	0.2
83.01254	2.9
85.02823	7.9
85.30937	0.2
87.00765	1.2
89.02316	13.6
90.02661	0.3
95.01276	1.8
97.02811	0.4
99.00760	1.9
101.02319	16.0
102.02669	0.5
103.22979	0.3
111.08077	0.4
113.02330	9.1
119.03389	5.0
125.02338	0.7
129.01848	0.5
131.03403	0.7
141.09122	0.7
143.03392	1.5
149.04420	0.3
157.12215	0.3
159.02888	1.0
161.04459	7.8
165.81639	0.3
173.04492	0.7
176.04056	0.3
179.05568	1.3
199.13322	0.7
301.16577	4.6
301.19916	0.5
302.16876	0.5
319.17593	38.9
320.17957	3.2
361.18552	1.8
361.22351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81561	17.7
59.01255	42.7
71.57766	21.3
72.70830	18.1
74.17454	15.6
82.37629	17.8
125.09629	56.1
141.09155	25.0
153.09187	19.9
168.80171	16.7
171.10185	100.0
201.11252	38.4
259.07166	20.9
283.84540	19.6
307.19083	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	96.2
61.71249	24.6
61.71712	22.7
63.37849	26.7
68.84041	28.2
94.11090	32.4
96.38382	24.8
96.95903	35.6
120.92822	24.5
184.51540	29.0
229.47620	38.5
269.88083	28.8
325.20248	100.0
360.28403	46.7
361.28525	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51933	1.6
54.52277	1.5
57.68578	2.0
59.01254	16.6
69.57840	5.0
69.58252	11.2
71.01266	7.5
73.02820	5.3
85.02842	4.2
89.02337	2.1
95.04922	2.0
98.19788	2.4
101.02327	4.1
110.06005	6.3
119.03533	1.9
122.06000	19.0
132.04463	5.0
144.04469	4.1
145.05217	21.8
146.05994	14.6
147.03178	2.5
148.03926	3.3
152.03395	2.2
156.08516	1.8
159.03172	7.6
160.03955	84.7
161.04716	36.5
162.05460	3.8
164.03337	2.5
176.03432	15.9
177.04236	16.7
177.94344	2.0
188.03496	5.3
189.04236	82.7
190.04771	7.8
191.05525	2.1
192.02928	4.5
193.03763	22.7
221.03281	23.9
221.06810	21.7
231.11316	2.4
243.11369	10.9
253.05879	7.0
255.11424	21.3
267.11395	34.2
268.11505	2.4
283.10721	2.8
285.12430	5.9
299.10281	17.7
311.10370	57.3
312.10489	3.9
317.11234	2.4
329.11426	20.6
331.12988	26.4
339.67853	2.0
343.12976	100.0
344.13248	10.8
361.10028	3.0
361.14130	26.1
362.15103	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1293
Annotation	Gibberellin A21
Peak:m/z	Relative Intensity
50.38784	0.9
59.01244	3.7
64.45816	0.8
79.95596	1.2
85.00928	0.9
85.02850	1.1
93.03293	1.4
96.95885	1.7
97.02839	9.6
98.19745	1.7
102.87357	0.9
109.02842	10.1
114.15305	1.1
116.85590	0.9
118.73681	0.8
120.22642	0.8
121.02797	0.8
122.03603	2.3
125.02332	1.1
129.07001	3.8
135.04451	5.3
136.05109	1.6
137.05954	3.1
147.04417	100.0
148.04706	4.7
149.05991	2.1
156.05708	1.6
161.02322	1.3
163.03925	1.3
170.52240	1.0
171.08105	5.1
171.10118	1.4
173.04591	2.0
173.05997	20.8
174.06383	1.6
176.84178	0.9
185.05966	1.1
187.07562	13.8
188.08354	50.3
189.08746	2.1
191.05544	1.3
199.07610	13.7
201.08984	0.9
203.10715	74.2
204.11066	4.4
207.10196	1.2
211.92258	0.9
220.07359	2.5
240.11337	1.6
247.09550	1.0
255.13884	6.3
258.12561	2.5
273.14948	89.5
274.15277	7.2
287.16623	1.2
317.14011	13.2
318.14355	1.6
360.28424	7.9
361.12790	9.1
361.28650	4.4
362.13351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01000	1.0
59.01261	14.8
67.26581	0.7
68.99686	1.1
71.01260	5.3
71.58173	1.5
73.02819	3.2
83.01260	1.5
85.02834	3.6
87.00759	1.0
89.02313	2.3
93.03357	0.9
95.04945	1.3
99.00735	1.7
101.02321	5.7
108.08049	0.8
108.92216	0.9
109.02902	1.0
110.06008	4.6
111.04429	1.6
113.02341	2.5
116.04971	2.0
118.06544	1.6
119.03527	1.1
120.04443	1.5
121.02925	1.0
121.05225	2.2
122.06019	18.8
132.04468	4.3
135.04402	1.0
137.09581	0.8
139.07581	1.2
144.04469	5.4
145.05232	19.5
146.06030	9.9
147.03152	1.3
148.03929	4.5
150.01781	1.2
152.03432	1.8
157.08562	1.0
159.03137	5.7
160.03957	67.7
161.04739	27.0
162.05540	4.1
164.03407	0.9
174.01901	0.8
175.02623	1.4
176.03452	14.1
177.04250	12.0
178.04651	1.5
188.03450	4.6
189.04257	77.5
190.04860	6.2
191.05559	2.6
192.02942	3.9
193.02037	1.7
193.03741	21.7
203.05815	2.1
208.89999	0.9
213.13010	0.8
220.02559	1.0
220.06006	1.1
221.03305	20.3
221.06851	20.8
222.03723	1.1
222.07286	1.5
224.10771	1.0
231.11362	3.3
239.08180	0.8
243.11372	8.1
253.05913	8.0
254.06099	1.0
255.11369	20.3
256.11685	1.4
267.11398	33.9
268.11609	2.2
271.14383	1.3
283.10822	3.6
285.08841	3.3
285.12433	5.1
299.10397	19.2
300.10703	1.1
311.10388	56.1
312.10733	4.3
317.11331	1.6
329.11435	19.1
330.11765	2.0
331.13016	23.7
332.13382	1.8
343.12985	100.0
344.13342	10.7
361.09595	1.3
361.14120	22.2
361.22134	1.8
362.14175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.8
61.98707	4.8
67.01762	0.9
70.12858	0.9
71.57828	1.7
79.46441	0.8
79.95610	15.7
85.24613	0.8
85.61683	0.9
87.38352	0.8
91.05408	2.1
96.95866	1.0
108.02058	1.5
117.03332	1.6
121.02852	13.3
122.03610	3.6
123.04436	1.3
133.02846	8.0
134.03586	1.1
135.03386	1.5
135.04402	11.4
139.07533	4.2
143.04889	1.6
149.02367	1.2
155.10696	12.6
157.06476	4.2
159.04384	1.2
159.08063	11.4
161.02356	56.9
162.02696	2.0
171.10225	1.3
174.06848	0.9
179.03462	1.2
187.04004	1.6
193.06720	1.3
193.08368	5.9
195.09956	1.4
199.09657	6.0
200.09952	1.1
203.07050	14.5
204.07439	1.3
211.03934	1.1
221.08110	29.4
222.08450	1.6
239.06953	2.0
239.09004	12.5
255.06557	3.9
265.05066	8.7
266.05466	1.5
277.04837	1.9
283.06052	5.7
298.84485	1.2
299.03229	1.6
305.04361	1.6
306.05145	2.1
317.04242	2.8
317.11624	1.8
321.11252	3.1
343.09543	11.5
361.10529	100.0
361.20248	2.8
362.10767	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.28950	7.0
71.01253	15.4
73.02811	4.8
83.01237	1.9
85.02827	5.4
87.00730	2.3
89.02309	7.4
93.03371	2.5
101.02321	10.1
113.02340	8.3
119.03413	4.0
119.04887	2.0
119.08546	3.3
124.01569	1.6
135.04396	4.0
137.09572	2.1
139.07484	2.0
140.07080	20.9
143.69908	1.6
151.07623	2.2
161.04579	3.0
163.07408	1.8
173.04370	3.1
181.08591	2.8
183.83540	1.7
191.05521	3.9
199.09636	5.7
361.15042	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.2
69.62582	2.0
71.01259	1.0
73.02819	0.6
83.01237	0.4
85.02815	0.5
85.52884	0.3
89.02374	0.3
98.19874	0.4
101.02322	0.9
113.02343	0.4
123.03162	5.0
138.05511	100.0
139.03888	0.4
139.05838	3.8
152.07103	0.5
160.03920	0.4
161.04518	0.5
199.09518	0.3
207.11447	0.3
282.07114	0.3
282.09793	1.7
300.10925	1.2
315.22220	0.3
326.27261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2394
Annotation	Broussonetine F
Peak:m/z	Relative Intensity
56.87436	1.2
57.03325	2.1
59.01254	100.0
60.01568	1.4
67.33706	1.0
71.01253	8.5
72.99183	1.9
83.01264	1.6
83.04879	1.1
84.21935	1.2
85.02837	2.0
89.02328	5.9
91.01749	1.6
93.06962	1.3
100.14115	1.3
101.02321	3.2
108.02027	6.4
113.02344	2.0
117.10355	1.3
119.03402	2.6
119.08559	5.1
135.08000	1.3
138.01872	68.4
139.02220	3.1
145.23560	1.3
148.44760	1.1
156.50235	1.1
170.68918	1.2
173.04497	1.7
174.25626	1.1
179.03441	1.4
181.08630	3.9
191.05553	1.9
195.13765	1.6
199.09688	5.2
250.18126	1.4
268.19171	4.1
280.19070	1.9
300.21719	9.0
329.11737	1.3
342.22894	1.8
360.23907	68.7
361.10825	2.2
361.15076	19.6
361.24200	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23560	0.5
59.01260	5.2
60.37708	0.4
65.30608	0.4
69.25186	0.5
69.25413	1.7
69.25822	3.6
72.46637	0.5
78.66897	0.5
78.95029	0.4
85.61362	0.4
91.99902	0.5
98.02386	0.5
98.19737	1.0
103.22663	0.4
112.03951	0.5
123.03151	3.9
125.95148	0.6
138.05510	100.0
139.05824	3.3
152.07095	0.8
173.04469	0.6
235.12192	0.4
282.09882	1.6
300.10803	1.4
363.32809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	35.5
69.24754	0.7
69.61723	0.7
70.66082	2.9
71.01258	3.8
72.99194	0.8
73.02821	1.6
85.02832	2.7
85.53848	0.7
87.00787	1.0
89.02348	2.2
90.00000	0.7
93.03353	1.7
101.02330	2.4
101.18747	0.7
108.02053	7.2
113.02342	1.4
121.02811	0.7
122.05990	0.7
138.01875	100.0
139.02216	3.6
140.07100	0.9
147.74356	0.7
161.04567	0.7
165.46581	0.7
173.04500	2.5
174.26765	0.7
191.05618	5.2
191.07063	0.9
222.82980	0.8
268.19083	1.1
300.21823	3.2
342.23065	1.0
355.79202	0.8
360.23914	25.3
361.15152	4.1
361.24271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35548	0.2
57.03318	1.4
58.32447	0.2
59.01253	0.6
61.62114	0.2
69.03318	0.4
69.27932	0.5
69.28349	1.5
73.79196	0.1
75.92154	0.1
83.70497	0.2
93.03350	0.2
95.04896	0.2
97.06473	0.2
99.04479	0.2
111.08043	0.2
127.11197	0.4
135.04347	0.3
137.02322	0.4
137.09613	0.3
141.12753	0.4
152.81781	0.2
155.10619	0.2
157.12160	0.3
171.10172	0.4
185.11739	0.5
190.16321	0.2
195.04822	0.2
197.06087	0.2
201.11266	0.3
207.72885	0.2
217.00307	0.2
267.23358	0.2
269.24948	0.2
295.22836	0.5
311.22229	0.6
311.25943	1.2
313.23837	7.2
314.24139	1.0
339.25375	0.2
341.26990	1.6
357.26419	1.2
359.28015	100.0
360.11246	0.2
360.28363	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72760	0.1
57.03336	1.2
59.01244	0.4
69.03320	0.6
69.36939	0.6
69.37363	0.8
71.04901	0.1
73.02824	0.2
81.62748	0.1
82.13358	0.1
83.04917	0.2
85.02827	0.2
93.03323	0.2
113.38043	0.1
121.70637	0.1
122.02215	0.2
125.09570	0.2
127.11208	0.7
130.08665	0.3
135.04358	0.2
139.18576	0.2
141.12743	0.5
161.02327	0.3
170.98512	0.1
171.10182	0.6
180.02863	0.2
185.11702	0.2
201.11298	0.2
217.00273	0.1
258.74542	0.1
267.23206	0.4
269.24850	0.2
271.22644	0.3
295.22708	0.6
311.22351	0.5
311.25977	1.1
313.23853	7.5
314.24286	0.5
323.26062	0.2
325.23737	0.4
339.25369	0.3
341.26956	1.8
357.26566	0.8
359.28021	100.0
360.28369	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.5
59.01249	0.9
59.49805	0.3
60.95674	0.3
69.29102	2.7
69.29527	1.3
91.87411	0.4
123.23721	0.3
127.11182	1.0
141.12686	0.5
155.10721	0.4
159.99825	0.4
171.10173	1.6
182.68040	0.4
185.11623	0.9
201.11270	2.3
213.11269	1.0
215.12851	0.5
267.23294	0.4
271.15506	0.9
271.22794	0.4
295.22910	0.5
311.22458	0.6
311.25653	0.7
313.23834	7.8
314.24231	0.6
341.19681	0.7
341.27011	1.8
357.07703	0.5
357.26404	1.6
359.28027	100.0
360.28375	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96227	0.6
53.67742	0.6
56.54449	0.7
59.01252	24.3
69.42047	5.2
71.01258	0.8
76.80630	0.6
94.98058	0.6
114.37709	0.6
125.09538	0.8
136.03192	0.6
185.11754	2.4
189.16422	1.5
211.13284	0.8
233.22624	0.8
259.20663	0.7
277.21719	100.0
278.22006	7.7
359.21979	12.9
359.25989	13.3
360.22437	1.9
360.26489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43106	21.9
59.01251	84.4
69.89461	26.2
71.57647	30.1
71.58016	28.0
81.03354	33.5
86.94216	22.4
96.95898	100.0
108.02082	34.9
121.06452	23.7
169.86542	22.5
171.10207	32.5
187.09755	27.5
199.13364	94.8
217.00191	43.0
217.10767	74.7
251.12915	57.0
305.17685	80.2
359.07892	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	12.5
77.94920	6.1
128.01248	5.4
149.02583	8.5
150.08490	6.0
152.26553	5.6
217.00021	5.5
223.20602	100.0
224.20827	7.8
229.21046	6.9
267.19635	68.9
285.20740	98.7
286.21036	11.0
359.24298	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69384	1.1
55.01745	1.4
57.03315	3.1
59.01250	15.0
64.85361	1.1
64.88538	1.3
67.01748	4.5
69.03310	2.1
71.01256	16.0
71.04902	8.6
71.58070	1.4
73.02797	1.6
73.59626	1.0
76.99805	1.1
77.27568	1.0
81.03329	30.3
84.02029	3.3
85.02823	4.1
87.04391	4.2
91.05431	1.8
93.03337	2.4
93.06972	7.1
93.09043	1.1
97.06473	4.9
99.04400	54.8
100.04728	1.9
101.02317	2.4
101.62731	1.1
105.06998	2.4
109.06486	1.8
111.04385	2.9
113.02318	2.1
113.05961	3.3
113.09701	1.1
117.06957	5.5
121.02829	1.5
121.06496	1.5
122.03532	1.5
123.08006	2.9
125.05973	4.4
125.09613	5.3
127.11166	3.5
133.06500	2.2
135.04422	14.1
143.07021	4.1
147.04391	2.5
148.05177	6.1
148.08858	1.4
149.05930	3.4
151.07555	18.2
153.05478	8.2
161.05989	44.0
162.06352	2.0
165.05505	10.0
165.09183	2.2
169.08595	6.4
170.70975	1.1
171.10184	100.0
172.10545	3.7
173.04474	3.5
173.05946	1.3
179.03404	1.1
179.07050	22.2
180.07370	1.6
185.11842	1.5
193.08646	9.6
201.11256	57.6
202.11589	2.2
213.11287	9.2
235.13376	2.0
239.12790	1.9
251.12575	1.3
253.14412	2.4
261.14883	3.6
271.15564	6.2
279.16074	2.8
287.16440	3.7
305.17587	20.9
306.17743	1.4
323.18594	7.3
341.19666	5.6
359.11298	1.5
359.15482	8.5
359.20416	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1499
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
59.01241	0.6
65.03833	0.3
67.01749	0.5
67.90772	0.3
79.05405	0.7
91.05418	0.5
93.03336	0.4
98.04635	0.3
98.19778	0.8
98.63660	0.3
105.06982	3.6
107.04924	2.2
108.02071	0.5
111.04390	0.4
115.05369	0.3
117.06989	1.5
119.04883	0.5
121.02812	1.6
121.06497	0.5
122.03201	0.3
123.04411	3.0
128.66106	0.3
134.03607	0.7
135.04419	5.5
135.08009	0.3
137.05939	0.7
147.04414	2.1
148.05185	3.1
149.05984	19.7
150.06340	1.0
151.03923	0.5
153.05478	18.0
154.05786	0.8
159.04369	1.3
160.05223	2.6
161.05994	19.9
162.06296	0.7
163.07542	4.1
165.05476	10.0
166.05914	0.3
167.07106	1.3
173.05977	0.4
175.07570	4.2
176.07835	0.4
177.05473	1.5
179.07057	100.0
180.07408	5.1
191.07024	1.3
193.08633	14.1
194.08948	1.0
227.06750	0.2
229.39363	0.3
263.60828	0.3
268.63577	0.3
291.38251	0.3
358.26752	0.6
359.07022	0.6
359.14996	8.9
359.27661	1.8
360.15314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.82595	0.9
54.82876	0.8
55.56222	0.8
59.01241	1.8
62.41631	0.8
67.01756	2.4
71.01278	1.4
71.52647	0.8
71.56481	2.0
72.99179	41.8
79.05431	1.1
85.02805	1.2
87.00780	0.9
89.02314	1.5
90.24203	0.7
91.05419	3.2
93.03334	1.9
95.01248	0.8
97.06472	2.2
101.02315	1.5
107.04893	2.3
108.02080	2.5
109.02833	3.8
110.02430	0.9
115.72616	0.8
117.03320	1.6
122.03606	1.9
123.04411	21.8
124.04729	1.6
125.02370	2.7
128.03416	0.9
134.03575	1.7
134.04591	1.3
135.04413	78.8
136.04733	3.3
137.02293	2.0
141.05540	1.2
151.03909	2.4
152.01047	1.2
153.01839	6.8
153.05498	11.1
153.06705	1.3
154.01410	1.3
154.05769	1.2
165.01927	0.8
166.02579	1.7
173.04393	1.7
176.42726	0.9
178.99895	1.7
179.03415	52.6
180.03720	2.6
182.02187	0.8
191.05527	3.9
197.04488	100.0
198.04910	4.7
222.69608	0.9
239.05472	1.4
278.48416	0.8
297.09824	1.0
300.80887	1.0
359.09839	63.9
360.05890	1.8
360.10141	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03075	0.3
57.03327	2.9
59.01246	1.0
66.99007	0.3
69.03331	0.3
70.10983	1.6
71.04891	0.6
79.95612	0.4
83.04894	0.5
84.02020	0.4
95.39105	0.3
97.06463	0.5
98.19827	0.3
103.09035	0.3
103.09770	0.3
104.40418	0.3
108.02064	0.3
109.02848	0.4
109.06474	0.4
111.08101	0.4
117.34909	0.2
121.02849	2.9
123.08026	0.6
125.09637	0.8
135.04388	1.0
136.04736	0.5
139.11182	2.5
141.08990	0.3
153.09015	0.4
155.14235	0.5
169.12276	0.7
171.10167	2.0
193.87767	0.3
198.96541	0.3
199.13373	0.9
201.11282	0.5
225.14914	0.4
227.12816	1.2
267.23386	1.0
269.21365	0.6
285.04175	0.4
309.24341	1.5
311.22290	7.4
312.22476	0.8
321.16882	0.4
321.24237	0.4
327.25616	0.3
339.25385	1.3
356.80579	0.3
357.26450	100.0
358.26804	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2647
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03330	3.2
59.01255	7.7
60.01600	0.2
67.01749	0.3
69.03325	0.8
69.33855	0.6
69.34280	1.1
71.01237	0.7
71.04883	0.6
73.02823	0.3
81.03320	1.1
83.01251	0.2
83.04896	0.7
84.02030	0.2
85.02837	0.5
93.03338	0.7
95.01243	0.3
95.04911	0.4
97.02809	0.3
97.06455	0.5
98.19810	0.4
99.04414	1.0
108.02071	1.7
109.02875	1.4
109.06483	0.3
110.37790	0.2
113.02335	0.3
113.05962	0.3
119.04916	4.2
121.02849	0.5
123.04416	0.4
123.08063	1.1
125.09631	3.1
127.11213	0.3
127.62312	0.2
131.19011	0.2
135.04401	0.6
137.02347	1.9
139.07639	0.2
139.11165	0.7
141.09050	0.2
141.12712	0.7
149.02373	0.4
152.01077	0.9
153.01816	0.2
167.07014	0.2
169.12250	0.3
171.10233	1.6
172.10446	0.2
175.11194	0.3
177.01909	0.3
177.09187	0.3
183.13837	0.2
185.11749	1.0
193.12234	0.5
197.06186	0.2
197.15382	0.6
199.13367	0.2
201.11203	1.2
209.11777	0.3
211.13394	0.3
213.15056	0.2
225.05577	0.3
225.14961	0.2
235.13393	0.9
238.50200	0.2
243.06560	0.8
253.14555	0.9
267.23254	1.4
269.21494	0.3
285.04309	0.2
287.05615	0.5
309.24304	1.1
311.22278	7.0
312.22629	0.8
339.25464	1.2
357.26468	100.0
358.09027	0.3
358.26819	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2283
Annotation	oscr#21
Peak:m/z	Relative Intensity
57.03314	4.3
59.01241	3.3
59.57886	0.9
63.73747	0.8
65.03828	1.1
69.03320	3.1
70.80117	0.9
70.91722	1.9
70.92069	1.2
71.04891	2.2
73.02862	1.2
79.05428	0.9
81.03311	2.0
83.04894	3.5
84.02029	5.8
84.82224	0.8
85.06454	1.6
87.04393	3.6
93.03290	1.0
95.04923	4.3
97.06477	7.8
98.20457	1.0
99.04417	2.3
106.04124	1.1
107.08538	1.3
109.02805	1.8
109.06491	1.2
111.04393	2.1
111.08030	1.6
113.05979	1.1
121.06541	1.0
123.04411	2.5
123.08063	2.0
125.05956	1.8
125.09599	5.5
127.11143	1.8
135.08087	4.7
135.08934	0.9
137.09532	1.9
153.09076	2.1
153.57881	0.9
155.10698	1.8
163.11148	1.9
167.07022	1.0
167.10698	1.5
169.12273	1.3
171.10187	45.6
172.10535	2.1
181.12262	1.1
185.11778	1.9
193.12292	8.9
195.13960	4.6
195.15376	0.9
199.13290	1.0
201.11226	8.3
209.11642	1.7
209.36128	1.2
211.13318	3.4
219.13814	1.8
225.14890	12.4
226.15289	1.4
235.13339	1.1
237.14899	3.1
238.94598	0.9
239.12794	1.0
241.14581	1.2
243.15973	6.8
249.14946	1.0
251.16525	4.4
253.14391	1.6
269.17566	8.1
281.17487	0.9
289.18079	5.7
293.17886	1.0
303.15732	1.0
307.19022	1.4
339.21622	3.1
339.25333	1.1
357.22772	100.0
357.26541	12.8
358.23108	7.9
358.26871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25219	0.9
57.03307	3.9
59.01245	5.0
65.03837	1.2
67.01780	1.5
69.03336	2.1
70.43243	1.6
70.43633	2.7
71.01260	1.2
71.04891	3.9
81.03342	5.6
83.04892	4.0
84.02050	1.6
93.03328	1.5
95.04905	2.8
97.02827	2.8
97.06477	3.2
99.04398	6.0
105.77164	1.0
107.04934	1.2
108.02074	2.0
109.02805	3.0
109.06478	2.4
111.04418	1.6
112.05169	4.1
113.05967	1.5
119.04913	5.7
120.31555	1.1
121.02844	92.6
122.03164	3.8
123.00758	1.8
123.04395	1.8
123.08058	1.2
124.01513	1.1
125.02354	1.3
125.09589	2.3
135.04390	4.2
135.07985	1.4
137.02295	1.6
137.05952	1.1
150.03131	1.5
157.98045	0.9
161.02403	1.4
165.01907	1.1
171.10178	18.3
175.11226	1.1
177.09126	0.9
181.06490	5.4
183.13878	2.0
185.11786	1.9
191.14252	1.7
193.12256	2.2
195.13837	1.5
205.08652	10.5
209.11743	1.5
211.13391	10.1
225.05547	6.1
229.66945	1.0
235.13463	4.8
240.64632	0.9
245.19095	1.4
247.31398	1.0
253.14433	4.3
261.18604	1.8
289.18066	5.5
307.19247	1.1
313.07147	5.3
313.10922	2.5
314.07635	1.3
339.15906	2.4
357.06146	21.1
357.10287	2.2
357.22784	100.0
357.26471	8.7
358.06638	1.8
358.23117	10.0
358.27036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.9
59.01239	3.7
62.55880	1.1
66.32060	1.4
69.03313	2.8
71.01250	2.2
71.04879	2.2
77.50002	1.1
79.05395	3.3
81.03319	1.9
83.04902	8.0
84.02052	9.9
85.02808	2.4
85.06451	1.8
87.04388	6.3
93.03295	2.3
95.04903	5.8
97.02794	2.0
97.06457	2.5
97.45748	1.5
99.04379	1.3
100.95492	1.2
106.04109	3.4
108.02070	1.5
109.02840	1.8
109.06466	3.2
111.04392	4.0
113.05915	1.5
119.04887	2.0
121.02840	1.4
121.06498	1.8
123.04422	8.1
123.08041	6.4
125.05988	2.8
125.09597	10.4
127.11177	5.3
135.04411	5.2
135.08055	7.2
137.02388	1.5
137.09648	1.8
149.09650	1.2
151.07581	1.6
151.11151	1.7
153.09096	2.5
155.00310	1.2
159.04372	1.4
163.11235	1.7
166.11768	1.1
167.07088	2.0
167.10666	1.3
170.09383	3.9
171.10181	97.3
172.10536	4.0
177.12682	2.2
185.08116	1.5
185.11684	3.2
193.12218	9.4
197.11670	2.2
201.11246	25.1
209.11899	1.3
211.13298	5.1
219.13849	3.2
225.14882	7.6
229.10797	3.5
229.14388	1.9
237.14940	4.1
243.12259	1.3
243.15991	5.7
251.16499	5.5
253.14345	1.9
256.52213	1.2
263.16617	1.3
269.17572	14.6
281.17526	1.4
289.18045	10.2
307.18814	2.0
325.20013	1.7
339.21793	5.1
357.13477	2.0
357.22778	100.0
357.26514	10.4
358.23083	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83264	1.4
57.03308	3.1
58.00451	2.4
59.01239	6.4
59.38980	1.6
60.34134	1.4
69.03339	2.0
69.47163	3.9
69.47575	9.6
71.01257	4.8
80.02551	3.5
81.03323	3.1
83.04892	2.1
85.06460	3.1
87.04370	3.2
93.03328	3.8
95.04860	1.8
97.02822	3.5
97.06472	3.7
99.04371	3.0
104.99110	1.6
107.04940	1.8
107.87565	1.7
108.02051	6.0
109.06478	27.6
110.03620	2.1
111.04409	1.8
113.05974	3.5
119.04987	1.7
121.06464	13.7
123.04453	1.9
123.08057	35.2
124.08348	1.5
125.05982	2.4
125.09619	23.3
127.11191	9.2
133.06459	2.9
137.05980	23.4
137.09636	2.7
138.03113	6.9
139.07544	6.6
139.11200	3.1
141.05440	6.9
141.14311	1.6
149.06006	3.8
151.07535	5.3
155.07030	4.9
155.10663	4.3
165.09109	3.6
167.07054	97.1
167.10683	2.6
168.07390	3.9
171.10191	46.9
172.10471	1.7
177.05431	1.9
183.10179	2.3
185.08089	5.6
187.09622	2.5
199.09619	4.6
201.11263	100.0
202.11581	4.8
203.06938	1.7
211.09653	3.4
213.11278	7.2
217.08713	1.8
217.10793	4.7
229.10826	11.0
233.11728	1.6
251.12935	3.4
277.17966	2.8
285.14658	3.6
293.17490	1.9
303.16040	14.3
321.17068	61.8
322.17288	4.9
339.18048	3.1
377.43286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1707
Annotation	CHEBI:69674
Peak:m/z	Relative Intensity
59.01251	0.6
65.03832	0.3
69.03345	0.3
71.58058	0.4
81.03354	0.8
83.04880	0.5
87.04401	0.7
91.05421	0.4
93.03339	9.1
93.03921	0.5
99.04386	0.8
108.02074	0.3
109.02825	0.7
119.04918	100.0
120.05258	3.3
121.02847	2.1
123.04425	0.3
135.00774	0.4
135.04445	1.5
136.04790	0.7
137.02333	0.7
137.04939	0.4
137.05995	0.8
147.04428	2.4
149.06007	0.3
153.01816	0.3
159.04407	0.7
161.02328	0.4
163.00307	0.3
163.07581	0.3
171.10176	1.3
177.09180	0.7
193.12288	0.3
209.11626	0.4
219.10204	0.5
225.11195	0.5
235.13390	0.5
240.94499	0.3
253.08777	0.3
253.14467	0.5
254.59604	0.3
356.24905	0.3
357.06158	0.4
357.17078	11.4
357.26501	0.4
358.17407	1.4
379.19821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1709
Annotation	Malabaricone C
Peak:m/z	Relative Intensity
60.29072	0.3
65.03835	2.4
67.01771	0.7
70.12887	1.0
70.13298	0.6
71.04922	0.5
81.95195	0.4
91.05412	13.0
93.03341	3.0
94.03736	0.4
95.04904	0.6
98.42144	0.3
99.15580	0.4
107.04894	0.5
109.02843	15.3
110.03197	0.4
113.09622	0.4
121.02846	9.6
122.03652	0.5
125.02350	0.3
135.04419	100.0
136.04735	3.7
137.02335	0.7
137.05988	1.5
138.02737	0.4
147.04420	15.4
148.05005	0.6
149.05954	1.6
153.89174	0.4
159.36676	0.3
162.44011	0.3
171.10155	2.3
189.09103	1.1
193.12251	0.5
209.11734	2.1
219.80310	0.3
220.10994	3.1
233.11803	0.9
235.13364	28.1
236.13649	1.8
275.43637	0.4
287.12936	3.1
357.17059	20.8
357.26379	4.9
358.17508	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01583	1.5
65.61286	0.8
69.31876	0.9
71.01244	2.7
71.57422	1.8
74.53278	0.9
85.02834	2.7
89.02338	1.4
93.03334	23.5
101.02319	3.2
113.02324	1.5
115.96304	0.9
119.03370	1.2
122.05992	0.9
123.04411	1.2
132.16931	1.1
137.02328	1.2
151.03894	1.7
153.01834	1.4
153.05473	1.4
173.04485	2.9
177.09120	1.9
179.03404	4.2
191.05545	1.9
195.02989	1.6
195.10187	1.0
327.08740	4.3
337.42395	1.1
342.11182	1.8
357.19351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01755	2.7
57.03333	4.0
58.00471	2.5
59.01251	100.0
60.01597	1.0
68.49619	0.7
68.67242	0.7
69.03326	1.4
71.01252	67.9
71.94520	0.6
72.01613	0.8
72.99162	5.2
73.02821	9.1
75.00732	0.9
83.01270	4.4
85.02825	17.8
87.00768	3.0
89.02316	44.6
93.03340	6.8
93.65498	0.7
95.01274	5.5
99.00760	4.0
101.02319	36.6
108.48345	0.6
113.02332	24.0
119.03387	18.8
121.02839	0.7
123.04415	1.5
125.02344	1.2
131.03456	2.3
135.04468	1.1
136.01584	2.9
139.11154	1.3
143.03423	3.8
149.04451	1.1
151.03922	3.5
153.05551	1.1
154.01399	1.7
159.02925	2.7
161.04465	14.3
161.95386	0.6
173.04538	1.1
177.01753	0.9
177.09140	12.5
179.03476	2.4
179.05560	1.6
183.10197	8.3
191.05605	1.1
195.10248	3.9
198.60756	0.8
205.03462	1.2
211.15228	0.7
246.28348	0.8
278.07401	0.8
314.17184	0.8
327.08932	2.8
342.11252	2.5
357.16049	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71175	0.3
57.03323	0.5
59.01244	1.7
65.00184	0.3
67.01742	0.4
69.03320	1.0
69.37205	2.9
71.04859	0.3
79.22991	0.3
80.02542	0.4
81.03334	0.7
83.04872	0.3
93.03328	1.6
95.01267	1.2
97.02817	0.6
99.04382	0.5
106.04148	0.3
107.01255	0.9
108.02058	2.0
109.02852	2.0
112.34121	0.3
119.04913	1.3
121.02843	16.8
122.03669	0.4
123.00769	9.3
124.01566	9.4
125.02341	6.3
133.02843	1.3
134.03607	0.6
135.04404	1.1
135.08040	0.5
136.04745	0.4
137.02333	0.5
149.02327	1.0
150.03107	6.7
151.00267	2.6
152.01054	0.9
153.01830	0.9
159.08037	0.8
161.02348	1.4
161.05978	0.5
161.09602	1.5
171.10245	1.5
175.07523	0.7
177.09122	6.0
181.06558	0.6
182.02112	4.6
183.02379	0.4
187.03955	0.4
190.06229	0.7
201.05644	0.4
203.06981	1.1
205.08638	100.0
206.08977	6.2
211.13373	0.4
216.04129	0.4
221.08109	1.0
225.05519	0.9
267.10342	0.3
271.02402	0.4
285.11325	4.3
295.09695	1.1
313.07346	0.5
313.10834	1.0
315.86755	0.3
325.20038	0.4
329.10196	3.2
356.24487	0.5
357.05881	2.6
357.09903	1.8
357.22131	1.4
357.26718	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71604	0.9
54.34062	0.8
59.01247	7.5
67.18848	1.0
67.32443	0.8
68.99104	0.8
71.01246	1.8
71.05769	1.9
71.21404	0.8
73.02798	1.3
73.53771	0.8
85.02808	3.5
93.03326	1.2
94.55568	0.8
95.01252	2.5
101.02327	1.9
108.02055	100.0
109.02856	37.0
110.03154	1.2
113.02306	0.8
123.00764	2.4
123.04453	2.5
126.88226	0.9
135.04419	15.0
136.75977	0.8
145.78690	1.1
150.06769	1.7
151.03905	4.6
152.01060	63.8
153.01846	28.8
154.02174	0.8
163.03934	1.9
164.20108	1.0
165.01909	1.6
181.04924	0.9
181.54765	0.8
195.03102	1.3
195.06554	2.1
315.07260	2.1
357.08261	85.9
358.08530	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76748	1.2
58.82628	1.2
58.99135	1.3
59.01263	7.0
69.55942	10.3
71.01238	5.5
75.00742	3.5
83.01218	1.2
85.02833	6.1
87.00732	1.7
89.02288	2.6
93.03310	1.5
97.55262	1.3
98.20544	1.7
101.02294	3.0
108.02055	100.0
109.02856	36.0
110.03080	1.6
110.48010	1.3
119.03298	1.4
121.02819	1.6
123.04384	4.8
142.96321	1.5
151.03857	3.0
152.01062	63.5
153.01849	36.8
153.05365	2.4
154.02142	1.7
161.02202	1.2
161.04453	1.5
165.01830	1.5
195.02902	1.6
195.06535	1.3
252.98273	1.3
293.08029	1.5
357.08151	81.4
358.08704	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.6
65.03833	6.6
67.01761	2.9
68.92384	0.4
69.95585	1.6
69.95995	0.8
71.01247	1.5
73.02819	0.7
74.02338	2.2
85.02844	0.5
93.03343	0.8
98.02355	2.0
99.87874	0.4
101.02341	1.0
109.02837	100.0
110.03177	3.0
123.00762	0.6
125.02338	0.6
130.08650	0.6
135.00777	4.7
135.04401	0.8
137.02324	1.8
151.03918	1.5
152.01018	0.7
153.01840	59.6
153.05319	1.0
154.02174	1.7
183.10121	3.2
191.05508	0.7
194.08308	0.5
195.02921	0.8
195.06537	1.5
269.11380	1.2
315.10672	0.7
330.43246	0.5
357.08249	9.0
357.12338	0.9
358.08502	0.9
358.15762	0.8
358.22516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52650	0.3
59.01244	1.4
67.64795	0.3
69.68913	2.2
70.54031	0.3
71.01254	0.9
81.03381	0.5
85.02808	0.4
85.66588	0.3
86.86323	0.3
91.05405	0.4
93.03328	1.7
95.04933	0.7
96.26797	0.3
103.05421	0.4
105.03339	0.5
108.02054	2.6
109.02839	90.6
110.03178	3.2
115.05421	1.1
118.12076	0.3
119.04919	3.0
121.02850	2.5
123.04406	2.9
129.03362	3.9
130.04160	1.0
131.04926	2.7
133.02861	0.4
135.04411	3.1
137.02338	1.7
145.02861	1.1
146.03658	3.8
147.04424	33.3
148.04784	1.4
151.03897	0.4
152.01080	0.6
153.01889	0.7
158.03651	4.9
159.04427	100.0
160.04758	5.2
161.02357	1.2
161.06006	1.3
167.07028	2.2
171.10197	1.2
175.03944	1.4
197.06090	0.5
201.11263	1.3
219.03125	0.4
223.07584	0.9
237.05591	0.5
239.07227	0.5
241.08725	0.6
251.07118	1.3
252.07861	3.0
253.08510	0.3
254.05771	0.5
267.06674	0.6
268.07352	1.8
269.08179	33.7
270.08478	2.6
303.15869	0.4
313.10721	0.7
321.17181	0.4
333.79611	0.3
357.09537	1.4
357.19141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.8
59.01245	2.3
59.68923	0.8
69.03322	2.9
71.01232	1.5
71.04884	1.4
77.07567	0.9
83.01238	1.1
83.04897	2.4
84.02053	1.4
85.02824	13.8
91.05420	2.1
93.03308	1.5
95.04883	1.1
97.02823	2.0
97.06459	4.7
98.19759	2.0
105.03350	8.8
107.04902	2.2
109.06465	2.4
117.07047	1.1
118.09109	1.0
119.04898	2.0
119.08578	1.4
121.02828	11.4
121.06490	0.9
121.51696	0.9
123.04392	3.8
123.08050	2.0
124.01546	2.5
124.04662	1.2
125.05972	3.7
125.09608	2.8
134.03629	8.7
135.04414	100.0
136.04758	8.5
137.04985	1.3
137.09621	3.9
147.04385	2.1
148.05209	1.4
149.02376	0.9
149.05991	13.9
151.03873	3.1
153.09081	1.5
155.10709	1.2
157.06468	6.7
159.04437	1.0
161.02361	11.6
161.05991	13.0
163.03943	1.2
163.07568	3.2
167.03386	2.4
171.10147	4.6
175.07593	5.3
185.11786	4.3
187.07489	1.3
187.09660	1.4
189.09148	14.6
193.06047	1.2
193.08661	9.9
199.11481	1.5
199.13319	27.8
200.13663	1.1
201.05426	0.9
201.09189	2.2
201.11235	1.5
205.08624	2.6
211.16879	2.4
219.06609	17.7
219.10153	11.2
229.14444	1.6
229.54939	1.2
237.07642	19.2
237.14944	1.6
238.07982	1.7
239.16493	12.3
249.14899	2.2
257.17584	6.8
267.06683	1.7
267.15948	1.5
297.11301	3.3
311.09219	11.8
312.09637	1.4
319.19226	1.3
319.22852	2.6
323.18686	1.4
337.10696	4.4
337.20068	1.3
355.08081	4.2
355.11823	25.7
355.15591	3.8
355.21313	6.5
355.24887	95.9
356.12201	4.4
356.25198	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.9
65.03844	1.8
71.04962	1.7
74.27528	1.3
91.05406	4.8
93.03334	2.0
97.06468	2.0
101.79307	1.5
109.02828	5.2
117.72274	1.4
119.08597	1.6
121.02830	6.6
123.04468	2.0
124.01532	4.5
125.09616	3.1
127.11171	2.8
135.04419	55.8
135.08055	4.2
136.04750	3.0
137.09583	2.2
147.04358	2.5
148.05185	2.1
149.02339	3.2
150.42993	1.6
151.03917	2.9
161.02405	3.0
163.07555	2.1
171.10178	100.0
172.10510	2.8
177.01779	2.2
177.09135	4.0
183.01157	6.1
183.51930	1.3
219.06616	2.2
233.11758	5.6
250.70160	1.5
252.14151	1.3
279.05826	1.5
291.19769	1.8
291.54202	1.5
305.21231	6.5
355.15454	7.7
355.19809	7.9
355.24875	99.2
356.15921	1.5
356.25174	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
57.03326	1.3
59.01253	1.9
63.78245	0.8
69.86571	3.1
69.86980	1.2
81.03318	0.9
84.02046	1.1
84.21803	0.8
91.05422	2.2
98.20512	1.7
107.04897	1.1
109.02849	3.4
110.03592	1.6
119.08537	2.6
121.02844	1.8
121.06499	0.9
123.04417	1.9
123.08025	3.6
125.09598	1.9
127.11189	3.1
135.04413	16.6
135.08034	5.0
136.04720	1.1
137.09634	1.2
142.02611	0.8
151.11209	1.3
153.09152	1.0
155.14317	0.9
163.07529	1.2
171.10178	100.0
172.10518	2.4
177.12746	1.5
183.01169	2.5
188.72171	0.7
197.83086	0.9
199.13286	5.5
201.11279	1.1
233.11771	1.7
245.19096	2.4
273.18546	1.3
289.18073	15.1
290.18570	2.1
291.19739	2.0
305.21161	4.4
307.19156	19.6
308.19525	2.3
323.22186	1.0
355.19733	6.8
355.24869	95.2
356.25220	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01254	1.9
59.03267	0.8
70.90146	1.0
70.90495	2.6
77.88006	0.9
85.02828	3.1
104.50809	1.0
107.04882	1.1
109.02840	3.1
111.00778	2.1
119.40955	0.9
122.03627	13.2
127.07558	2.5
130.28775	1.0
133.51686	0.9
135.04420	30.8
135.05443	1.6
136.01573	2.7
136.04774	2.0
145.30998	1.2
147.08020	3.3
149.05920	1.7
149.09628	10.5
150.09801	0.9
151.07521	4.7
154.02623	2.9
155.10658	1.1
161.08612	1.0
161.09671	10.0
163.07553	3.9
163.11203	62.6
164.08344	21.1
164.11487	3.2
165.09126	12.1
167.94168	0.9
177.09135	80.4
178.09911	22.9
179.10706	87.4
180.11003	5.2
183.10149	4.2
187.11198	2.3
191.10719	17.6
193.08656	12.2
265.08774	0.9
265.12201	1.7
280.14713	3.3
281.15179	1.2
298.15753	63.4
299.15924	6.2
307.17001	1.2
309.22141	1.7
313.21732	1.1
337.21735	55.0
338.22009	7.0
340.20419	85.5
341.20767	8.9
355.22778	100.0
356.18362	1.1
356.23093	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.2
59.01265	4.1
67.01733	2.6
68.21679	2.4
69.03345	2.3
69.54563	16.4
71.01234	2.3
80.72942	2.0
81.03333	6.2
83.04882	3.1
86.56654	2.3
91.05401	4.2
91.37946	2.1
93.03307	4.7
95.04910	4.1
95.60788	2.3
97.02806	3.6
97.06487	3.8
99.04360	2.3
107.04921	30.0
108.02106	2.2
108.54678	1.9
109.02829	5.9
109.06474	9.1
110.03622	2.2
119.04939	2.3
121.02909	2.1
121.06457	4.3
123.04443	2.1
123.08070	12.3
125.05984	3.6
125.09609	26.5
127.11190	6.2
133.06465	4.4
135.04402	26.0
135.08029	6.6
136.05008	2.2
141.09116	11.7
149.05963	2.9
151.07544	48.9
153.09097	3.5
155.10611	6.2
161.02339	7.3
165.09125	4.1
166.06319	3.5
167.07030	2.8
168.07852	11.7
171.10182	100.0
172.10480	4.9
174.06935	2.3
177.09126	2.9
183.06625	2.8
183.10196	50.9
184.10703	2.1
185.11777	2.7
195.04308	2.5
195.10257	3.5
199.09755	3.9
201.09288	4.2
201.11252	45.1
202.11528	3.2
209.05991	4.5
213.11258	33.3
217.41936	2.3
226.14914	2.3
227.76117	2.2
228.13414	2.2
233.11874	4.4
249.14929	2.2
265.05035	83.8
265.14658	3.9
266.05399	7.3
279.19736	3.6
287.16537	6.0
305.08191	7.3
305.17554	27.4
319.19180	4.7
323.09219	9.3
337.20175	7.4
348.86563	2.6
353.13461	2.4
355.11865	8.4
355.16696	2.7
355.21170	30.7
355.24927	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.6
59.01245	2.8
71.17934	2.6
71.18278	1.1
107.04909	2.5
109.02843	1.3
121.06489	3.0
123.04428	6.6
123.08044	14.7
125.09589	1.5
135.04402	6.5
139.11205	7.1
142.02609	2.5
146.71724	1.3
147.04398	2.0
149.05977	4.4
151.03947	1.4
151.11179	2.0
155.14320	3.7
165.20506	1.4
171.10181	16.8
183.01143	3.4
199.13354	30.0
200.13640	1.9
201.11220	3.6
213.11241	1.5
221.11772	3.5
233.15352	1.8
239.12769	2.1
243.17410	1.7
245.19055	9.0
246.19350	1.3
247.17163	1.8
263.20203	1.5
271.17081	1.7
289.18091	75.0
290.18521	6.6
291.19797	1.5
295.06210	1.3
307.19141	100.0
308.19363	9.7
355.15744	1.4
355.19403	10.1
355.24838	18.5
356.25363	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26790	1.5
57.03327	4.6
59.01250	2.8
59.73521	1.1
59.92011	1.2
63.76250	1.0
66.13201	1.3
69.03307	1.3
69.41121	11.1
70.10162	1.2
71.04888	3.3
73.02822	1.3
81.03341	5.3
83.04908	1.3
84.02033	1.2
85.02841	1.4
87.04370	1.0
93.03349	3.4
95.04897	3.8
97.02850	3.0
97.06489	1.5
105.07007	1.9
107.04907	29.2
108.02061	7.6
109.02833	2.4
109.06496	8.6
111.00802	2.3
115.46041	1.2
119.04890	1.4
121.02867	5.2
121.06485	2.1
122.03601	2.8
123.04428	4.9
123.08087	7.4
125.06016	2.3
125.09618	15.8
127.07556	2.6
127.10342	1.3
127.11128	5.9
133.02866	1.6
133.06520	2.6
135.04442	3.9
135.08069	3.3
136.05199	1.4
137.02371	3.2
137.09669	1.3
141.09123	5.4
148.01614	1.6
149.02354	11.8
151.03923	3.8
151.07556	33.1
151.11143	1.8
152.07854	1.6
153.09094	2.9
155.10664	3.6
161.02365	1.5
165.09126	3.1
167.10635	1.8
168.07823	6.5
171.10185	100.0
172.10516	4.8
177.01883	9.7
177.09126	14.6
183.10188	47.6
184.10555	2.9
195.10144	2.7
199.09747	1.3
201.11269	27.9
213.11295	22.6
214.11520	2.1
227.12889	1.4
279.19659	1.5
287.16464	4.6
305.17609	17.5
319.19214	2.6
337.20178	5.5
355.11771	5.2
355.16614	2.3
355.21222	21.7
355.25116	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35153	0.4
53.06894	0.3
57.03318	1.0
57.49662	0.4
59.01247	5.8
67.76025	0.3
69.03326	0.7
71.01254	0.5
71.04897	0.6
71.58253	0.7
73.02843	0.4
74.07902	0.4
77.56381	0.4
79.05372	0.4
80.02499	0.3
81.03312	0.4
83.04903	1.2
83.09946	0.4
87.00762	0.3
87.04401	0.5
93.03332	1.5
93.06963	1.5
95.04885	1.2
97.02809	0.5
97.06475	1.4
99.04416	0.5
105.47170	0.4
107.04923	1.2
108.02064	0.5
109.02847	0.7
109.06489	2.0
111.00758	0.4
111.04370	0.8
111.08041	3.7
119.04915	100.0
120.05238	3.9
121.06506	0.4
123.04369	0.5
123.08031	1.7
124.01496	0.4
125.05968	1.1
125.09612	3.2
133.02826	1.3
135.04431	1.0
135.08058	0.7
137.02368	0.9
137.05966	0.9
137.09618	5.4
138.06700	0.6
139.07567	0.4
139.11189	0.6
141.09106	0.7
149.02396	0.6
149.05962	0.9
150.06775	1.3
151.07484	0.5
152.04672	1.6
153.05508	0.5
155.03372	0.4
161.05981	0.5
163.03876	0.4
165.05484	1.3
165.09106	0.7
167.07057	1.1
169.08609	0.4
171.10176	1.9
173.04475	0.9
179.03455	0.5
181.08578	0.7
181.12288	0.5
183.06572	0.7
183.10257	0.6
185.11867	0.4
187.09662	1.3
193.08670	2.2
199.09712	0.7
201.11287	2.4
203.14323	0.4
205.15936	0.7
221.15457	0.4
231.17505	0.8
233.15454	2.2
239.03474	1.1
247.13319	0.5
247.16977	1.0
249.14861	2.2
251.16484	0.6
257.15512	0.6
259.13364	2.9
265.14529	1.0
265.18094	1.2
266.11578	2.4
267.03012	1.6
267.16138	0.5
275.16595	1.6
277.14404	4.2
279.06628	1.4
283.19257	0.6
293.17590	16.7
294.17975	1.7
295.15491	11.2
296.15845	0.8
305.17615	1.6
319.15704	0.5
319.19107	0.5
337.16592	1.5
337.20209	0.6
355.08228	1.2
355.11890	27.5
355.17593	16.8
355.24573	5.0
356.12363	3.0
356.17899	1.5
356.25174	0.5
375.27509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.155
Annotation	Glyasperin C
Peak:m/z	Relative Intensity
65.03835	8.7
67.01772	2.6
71.57950	0.4
91.01775	0.6
107.04898	3.5
109.02837	100.0
110.03168	3.2
110.06140	0.3
121.02847	0.9
122.03625	0.8
133.02840	0.5
135.00760	0.7
135.04416	0.6
150.03120	0.5
151.03914	23.5
152.04247	1.1
153.01912	0.3
163.03896	2.0
180.34703	0.3
191.10660	2.2
245.11880	0.3
343.12985	0.3
355.15482	8.7
355.19745	0.6
356.15659	0.8
356.19806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.8
65.03815	3.3
69.03303	2.2
71.01900	1.0
71.57841	0.9
71.58296	1.5
71.92466	1.3
74.52852	1.1
83.01241	1.7
83.04912	1.2
85.02809	1.4
90.36395	1.1
91.05416	15.2
92.18982	1.0
93.03324	3.7
97.02829	1.4
109.02841	40.7
110.03141	1.3
119.04888	2.0
120.61167	1.2
121.02853	26.0
121.10114	1.4
122.03143	1.1
124.01568	1.7
125.02340	27.6
125.09664	2.1
125.69020	1.1
133.02719	1.4
134.03635	1.6
135.04417	100.0
136.04736	4.9
137.02254	1.3
147.04420	6.4
149.02327	2.7
149.06049	1.6
151.03969	2.3
154.51399	1.1
159.04454	1.4
161.02377	1.3
163.03879	4.3
163.07545	1.6
171.10178	4.4
175.03882	5.9
187.03885	1.2
189.09164	1.8
191.07088	2.9
192.07744	1.2
197.05942	1.6
203.07022	1.8
204.07773	1.9
205.08649	3.9
206.09415	2.3
211.07491	1.8
217.08630	3.2
218.09441	19.0
219.10175	10.5
230.09390	2.5
233.11795	15.9
234.12082	1.5
245.11858	10.6
267.06607	1.6
304.31033	1.3
305.21194	1.8
323.12991	2.2
337.23630	2.2
340.13309	1.4
355.11700	2.9
355.15491	9.2
355.21170	1.7
355.24890	34.5
356.25089	1.8
375.95923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03822	2.6
71.34683	2.0
71.35008	1.3
74.73369	1.2
91.05408	13.1
93.03329	2.4
105.06992	4.5
109.02852	17.1
121.02867	9.4
123.04420	5.8
129.31892	1.1
134.03613	4.0
135.04419	100.0
136.04796	3.6
147.04401	2.0
148.05206	9.0
149.05991	28.4
163.07567	13.6
175.07587	3.1
179.36794	1.2
193.08711	3.1
201.09143	14.5
202.09460	1.7
205.08647	5.3
219.10226	12.7
222.59538	1.3
233.11786	12.1
314.48627	1.3
337.14487	1.4
355.15588	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92315	0.4
65.02723	0.4
65.03819	2.0
66.28626	0.4
70.03603	0.7
70.04014	1.6
79.45889	0.4
83.24801	0.4
91.05405	14.3
92.05730	0.7
93.03351	2.9
95.42485	0.4
98.96892	0.4
103.28518	0.4
108.02058	1.9
109.02837	15.1
121.02847	10.3
122.45998	0.4
133.02827	1.6
134.03647	2.9
135.04414	100.0
136.04749	4.3
147.04424	3.9
148.05173	0.5
149.05972	1.5
159.03159	0.8
159.04424	12.5
160.05133	1.7
163.07600	0.6
175.07559	1.1
189.09184	0.9
189.73900	0.4
190.39201	0.4
200.08379	1.8
201.08807	0.6
207.10193	1.3
215.10699	4.3
218.09366	2.3
219.10208	0.8
220.14690	0.4
233.11794	18.5
234.12123	1.1
239.06693	0.5
281.08154	0.7
301.90543	0.4
316.72873	0.5
339.12445	0.7
355.15475	35.8
356.15872	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
65.03842	1.9
71.04890	9.6
71.13145	0.9
78.95801	1.2
79.95650	0.4
83.53677	0.3
91.05408	13.0
92.05752	0.5
93.03317	2.8
97.06496	0.7
100.58475	0.3
109.02834	13.5
111.41219	0.3
119.04867	0.4
121.02836	9.4
125.09582	0.9
134.03607	0.6
135.04410	100.0
136.04768	3.7
147.04411	8.1
148.99960	1.9
149.05952	0.9
161.06081	0.6
162.06693	0.6
163.07515	1.7
171.10168	8.5
183.01094	2.0
190.09975	0.5
192.81717	0.3
201.09222	0.4
205.15898	2.5
207.10205	1.2
219.10141	0.9
225.14885	1.1
233.11775	22.9
234.12079	1.2
291.06845	0.4
304.83469	0.4
305.17563	0.4
305.21045	0.5
348.25140	0.3
355.15509	15.3
355.19403	0.8
355.24805	9.3
356.15729	1.5
356.25082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1552
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
55.63712	0.3
65.03833	2.5
67.01781	0.4
70.10777	1.5
82.12855	0.3
87.00780	0.3
91.04836	0.7
91.05412	14.5
92.05748	0.4
93.03327	3.5
97.06506	0.4
98.20488	0.4
109.02839	13.9
110.03173	0.5
119.04926	0.4
121.02847	9.9
125.09625	0.7
127.07538	0.5
133.02852	0.5
134.03658	0.7
135.04416	100.0
136.04749	3.8
147.04431	2.3
149.06012	0.8
159.04422	13.0
160.05034	1.4
161.05894	0.6
175.07562	1.0
186.07030	0.3
187.09653	0.5
189.09181	0.7
193.08598	0.5
197.73361	0.3
200.08379	2.5
207.10220	1.5
215.10736	5.0
216.11111	0.5
217.08719	0.4
218.09447	0.8
233.11792	19.6
234.12209	1.0
277.73660	0.3
281.60400	0.3
297.11432	0.4
303.38910	0.4
325.23944	0.4
355.15527	7.9
355.20169	0.6
355.24887	3.0
356.15924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1552
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
55.01773	0.7
55.90612	0.4
58.60653	0.4
59.01255	2.8
65.03862	0.7
69.09819	0.5
71.35540	0.9
79.05391	2.6
91.05429	1.5
93.03349	1.2
95.04953	0.6
97.06464	0.6
98.49482	0.5
105.06986	18.0
106.06512	0.6
106.07278	0.5
107.04916	6.0
108.02044	1.0
109.02855	1.3
109.06531	0.6
111.00784	1.6
121.02843	1.4
121.06490	0.8
123.04421	19.9
123.08057	0.7
124.04701	0.5
125.05997	0.8
125.09615	2.3
131.08580	0.5
134.03641	14.6
135.04431	21.8
137.02243	0.7
141.07065	0.8
147.04430	0.9
149.05991	100.0
150.06351	4.9
157.10161	1.0
159.04460	0.8
161.02351	0.8
161.06020	1.8
163.07561	0.8
167.07011	1.7
171.10249	0.8
175.03787	0.6
175.07585	11.5
183.06615	1.0
183.08153	1.4
185.05980	2.0
186.06729	0.9
187.07590	2.1
187.09706	1.4
189.09105	0.6
193.08653	11.3
194.08998	0.8
201.09164	50.8
202.09514	3.6
203.19104	0.4
205.08658	12.9
206.08881	0.5
213.09128	0.5
219.10236	35.6
220.10576	2.1
231.10286	0.9
233.11816	0.8
275.16595	0.6
283.08545	0.6
285.11386	2.3
293.17609	0.6
337.14194	2.8
355.11304	1.2
355.15445	16.6
355.24786	3.3
356.15881	1.8
356.24500	2.1
358.81958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.155
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
54.98565	0.3
56.77184	0.3
57.03320	0.5
59.01238	0.3
62.82589	0.3
65.03833	2.5
67.01745	0.5
70.70261	0.6
70.70602	0.4
71.01289	0.3
71.04877	0.5
73.02800	0.4
73.40469	0.4
78.92968	0.3
79.95599	0.6
81.14587	0.3
91.05411	13.5
92.05749	0.6
92.07179	0.3
93.03326	2.9
95.04935	0.4
97.06476	0.5
104.07213	0.3
107.04922	0.5
109.02840	17.0
110.03172	0.5
119.04919	2.1
121.02842	9.4
121.03675	0.7
122.03591	1.1
123.04384	0.4
125.09635	0.8
134.03615	1.3
135.04414	100.0
136.04749	3.8
137.02299	0.3
137.05986	1.5
147.04425	2.5
148.05202	11.7
149.02431	0.3
149.06012	1.7
155.95949	0.3
161.05952	0.7
163.07558	15.0
164.07892	1.0
167.07047	0.4
171.10208	0.5
175.03987	0.5
187.09673	0.7
200.08356	0.7
201.09109	0.9
201.11276	0.9
203.12955	0.3
207.10214	1.0
209.11813	0.5
211.04124	0.4
215.10699	0.8
219.10207	1.4
233.11786	16.6
234.12120	1.1
247.23680	0.3
265.05167	0.3
267.06616	0.8
285.11560	0.4
287.16599	0.8
297.07700	0.4
305.17630	1.5
325.10892	1.0
329.41226	0.4
337.10834	0.6
337.20255	0.6
355.11755	1.2
355.15558	9.8
355.20782	0.7
355.25073	1.5
356.15771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65620	0.5
56.30639	0.5
57.03325	8.1
65.00194	1.4
65.03823	0.7
91.05418	4.6
93.03336	1.7
96.95905	0.5
107.08550	1.8
108.02030	0.5
109.02843	3.3
109.06474	5.1
111.08055	0.5
117.03384	0.5
121.02859	2.5
123.04383	0.9
124.01552	15.7
125.02346	1.1
125.09615	9.5
128.56891	0.5
133.02858	3.2
133.06487	2.1
134.03644	0.7
135.04410	23.6
136.04735	1.0
137.02341	1.6
147.04425	0.7
149.05966	1.9
149.09613	6.5
150.03171	2.4
151.07553	4.4
159.04465	0.9
161.02356	36.9
162.02686	2.1
171.10158	1.1
175.07587	0.8
177.05530	0.6
183.01134	1.4
193.08635	100.0
194.08963	4.2
201.09178	0.8
208.35791	0.5
219.06587	1.8
219.10214	1.6
221.08116	0.7
229.23251	0.7
233.11798	2.0
309.66110	0.5
337.10574	0.5
355.11743	3.3
355.15552	4.1
355.19577	3.1
355.24823	1.7
356.12363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35603	0.3
65.03835	2.4
67.01766	1.1
69.75946	1.8
89.03841	0.4
91.05409	16.5
92.05774	0.4
93.03336	3.3
99.57901	0.4
107.04919	0.8
108.02061	0.7
109.02839	1.5
114.13570	0.3
117.03324	0.5
117.07030	0.4
119.04912	0.8
120.90629	0.3
121.02866	0.8
122.14860	0.3
123.04436	1.3
123.26849	0.3
133.02869	1.5
134.03639	8.4
135.04416	100.0
136.04759	3.8
147.04396	1.1
148.05211	1.1
149.05986	24.8
150.06316	1.0
155.08614	0.4
156.32382	0.3
161.02368	5.9
161.05991	4.9
175.07585	0.9
185.06046	0.6
193.08580	2.2
201.09148	8.7
201.11055	0.5
219.10216	16.9
220.10568	0.7
235.07613	0.8
279.06638	5.5
319.09708	0.9
337.10815	25.2
338.11151	2.2
352.21039	0.4
355.11862	21.3
355.15646	8.6
356.12170	2.1
356.16119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84943	0.4
55.01720	0.4
56.33227	0.4
57.55235	0.4
61.46545	0.4
65.03823	1.3
70.26610	1.9
71.90995	0.4
79.05389	2.6
89.03854	0.7
91.05415	10.2
93.03355	2.0
95.04900	0.5
105.03339	5.4
107.04920	5.2
109.02819	0.8
117.03356	1.3
119.04928	1.1
121.02856	1.9
122.03683	0.6
123.04411	46.7
124.04740	1.8
131.08583	0.5
133.02855	7.3
133.35022	0.4
134.03275	0.5
135.04417	42.6
136.01552	0.6
136.04736	1.8
144.49596	0.3
149.02367	1.6
150.03091	0.8
157.06480	3.5
159.04451	1.0
160.05132	0.5
161.02351	100.0
162.02678	4.4
167.03401	0.7
168.79550	0.4
173.06012	0.4
175.04068	1.0
175.07565	38.0
176.07945	2.3
193.08626	26.9
194.08936	1.4
219.06578	6.9
223.07547	0.6
237.07651	2.1
238.06152	0.4
265.05118	0.8
266.05975	0.6
267.06683	3.2
268.06863	0.4
301.09082	0.4
319.09705	3.8
337.10809	8.2
338.11325	0.9
343.00208	0.5
355.08020	0.6
355.11920	6.1
356.12286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49597	4.0
59.01250	100.0
71.01247	24.8
71.13741	10.6
73.02817	9.5
74.79690	4.5
85.02829	12.1
87.00743	4.7
89.02283	4.0
93.03329	10.2
93.68692	3.7
95.01231	5.5
96.83220	3.8
101.02322	15.6
107.04890	4.2
109.02813	4.3
113.02312	10.8
121.02832	4.6
135.04416	10.7
150.03152	18.9
151.03888	28.5
173.04492	13.6
179.03510	4.7
191.05550	29.4
192.05791	6.8
193.05821	3.5
221.08257	4.0
267.28687	3.9
269.10419	8.5
271.92975	4.3
285.31485	3.7
311.10391	4.8
313.08948	6.2
326.89911	4.2
327.09778	7.8
355.10193	5.5
355.14267	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0882
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
55.01762	5.8
57.03329	9.7
58.00457	3.0
59.01252	56.5
67.01743	2.1
69.03317	6.6
71.01255	84.4
71.26380	3.9
72.71650	1.8
72.99184	47.3
73.02818	49.5
75.00744	7.3
78.95790	8.2
83.01282	9.6
85.02826	77.4
85.99966	2.7
87.00756	21.6
89.02316	27.2
90.62191	1.7
92.74321	1.7
95.01257	13.9
96.95911	8.8
96.96829	4.7
97.02898	1.8
99.00755	15.0
101.01715	1.4
101.02320	42.3
101.02984	2.1
103.00275	6.2
111.00752	2.6
113.02332	100.0
114.02708	2.1
115.00233	9.2
119.03392	8.1
129.01840	15.8
131.03394	32.1
157.01308	10.0
159.02934	2.7
161.04497	14.8
175.02391	29.7
179.05505	2.2
193.03572	4.7
195.05051	5.3
221.06590	4.7
235.04594	2.6
265.05640	60.9
266.05978	2.5
285.07309	1.8
337.07739	2.9
355.08627	14.8
356.06454	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0882
Annotation	GlcAbeta1-3Galbeta
Peak:m/z	Relative Intensity
50.74492	1.1
55.01749	3.4
57.03329	7.1
57.51454	1.0
58.00466	2.2
59.01253	43.1
67.01748	1.9
68.99699	1.6
69.03319	3.9
71.01255	68.6
72.99185	43.6
73.02821	39.7
75.00754	8.2
78.95764	6.3
83.01247	7.0
85.02825	57.1
85.03352	2.3
85.99978	1.9
87.00756	16.5
89.02316	25.1
95.01258	10.0
95.39806	1.1
96.95873	3.8
96.96838	5.0
96.99192	1.2
97.02856	1.7
98.19814	2.0
99.00760	13.9
101.02322	40.4
102.79343	1.1
103.00262	5.1
103.03854	3.7
111.00742	2.1
113.02332	85.5
114.02651	1.8
115.00255	7.2
119.03365	7.5
129.01842	23.3
131.03400	43.7
131.04396	2.3
143.03406	2.8
149.04501	2.1
157.01337	13.8
159.02905	2.3
161.04489	14.9
175.02400	40.2
177.03954	1.6
179.05492	5.1
193.03490	7.0
195.05034	4.4
221.06631	9.2
235.04509	3.3
257.00638	1.4
265.05640	100.0
266.05981	4.2
277.05710	1.3
295.06705	2.6
337.07706	3.6
355.08517	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0983
Annotation	Papraine
Peak:m/z	Relative Intensity
52.32896	1.3
53.11712	1.3
62.42382	1.1
63.83603	1.2
65.03843	1.3
66.37669	1.3
71.58465	1.9
87.41817	1.2
105.49393	1.1
106.07750	1.2
109.02841	14.4
110.03191	1.6
120.65024	1.1
123.04406	1.2
124.01565	2.0
132.66809	1.1
135.04420	7.2
149.02327	3.3
151.03929	6.9
191.05678	1.6
198.03151	1.6
223.07809	1.9
247.07635	1.6
261.09000	1.4
263.07147	1.7
281.04636	1.4
290.05841	1.6
291.06610	17.9
292.07361	15.1
293.07910	1.6
299.66479	1.3
305.08243	4.1
307.09732	25.9
308.10059	3.6
320.09167	1.5
324.68124	1.5
336.08856	4.7
337.09512	3.5
354.09863	100.0
354.13992	3.9
355.10300	8.5
355.14587	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
56.20543	0.2
57.84591	0.3
59.01265	0.4
61.79398	0.2
69.37928	2.1
71.01244	0.3
79.91434	0.2
80.35102	0.2
85.76870	0.2
86.34714	0.2
90.43501	0.2
96.95878	0.4
98.19767	0.5
107.04883	0.3
135.04434	0.5
147.08101	0.6
161.06001	0.3
163.11195	100.0
164.11528	6.2
173.04352	0.3
177.09126	74.4
178.09480	4.5
190.09964	0.3
191.05620	0.8
198.48830	0.3
220.51706	0.3
222.08969	0.5
353.21198	96.7
354.21533	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76818	0.9
52.52649	0.9
55.01765	6.2
57.02094	1.0
57.03324	44.5
58.00439	1.1
59.01254	15.6
61.07888	0.9
67.01765	2.0
68.99690	1.3
69.03327	4.6
71.01258	66.1
72.01581	1.2
72.99175	2.2
73.02816	8.1
83.01266	8.6
83.04937	1.8
84.02059	2.2
85.02827	85.3
86.03146	2.5
87.00752	5.9
89.02312	4.6
93.03363	1.3
95.01270	22.7
97.02827	2.9
98.19765	2.0
99.00761	5.8
101.01781	1.0
101.02313	5.3
102.15182	1.1
109.39787	0.9
111.04419	1.4
111.07947	1.0
112.01551	15.0
113.02338	100.0
114.02682	2.2
121.06478	1.7
123.08062	11.3
125.02356	1.2
134.07283	1.1
135.04405	4.5
137.09630	21.3
138.09962	1.0
139.11182	2.5
142.02638	1.3
143.03380	5.2
149.09621	12.2
151.11201	2.6
161.04451	1.9
165.12770	7.0
173.04471	3.4
179.03409	3.2
188.37714	1.1
191.05557	14.7
191.14357	3.1
193.12305	1.2
209.15422	95.1
210.15750	5.1
219.37750	1.0
221.15456	2.8
265.18118	2.4
287.16437	1.3
305.17477	8.4
323.18665	3.9
353.19696	53.0
354.20001	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.6
62.28072	0.8
65.07256	0.8
67.01657	0.7
68.86510	0.8
69.48617	7.3
79.95594	8.2
80.96399	1.1
81.35504	0.8
95.95124	1.7
96.95890	60.0
108.02036	2.4
121.02859	1.6
122.97490	2.9
123.04388	6.8
133.02806	1.9
134.03635	39.7
135.04453	0.7
147.04434	20.1
149.05992	100.0
150.06367	4.0
159.04436	16.7
162.06786	0.8
184.98656	1.0
187.07597	1.6
191.05530	4.4
191.10690	5.7
194.05789	1.1
201.09070	1.0
202.09995	6.2
217.12291	80.2
218.12575	6.2
353.16611	5.3
353.20569	59.1
354.20325	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.4
59.01249	12.1
66.43395	1.7
69.75958	4.3
69.76369	7.8
71.01245	2.2
71.04906	4.2
73.02843	2.9
79.20846	1.8
80.02563	2.2
81.03335	3.3
83.04907	6.4
83.51854	2.1
85.02817	6.6
87.00751	2.3
90.75264	2.2
93.03340	11.5
95.04916	4.4
96.95890	2.4
97.02859	3.1
97.06483	9.6
99.26259	1.8
104.29824	2.1
105.07040	3.6
107.04900	10.6
108.02042	3.7
109.02797	2.6
109.06520	4.1
111.04378	6.3
119.04903	3.0
121.02838	2.9
121.06466	11.6
123.04404	3.1
123.08028	17.7
125.06030	4.5
125.09611	76.3
125.10535	3.7
126.09903	2.4
127.11185	2.5
131.04903	2.4
133.02888	4.5
133.06487	42.2
135.04427	21.1
135.08023	4.6
136.05072	2.6
137.06029	2.4
138.37566	2.0
139.07547	3.0
141.09111	2.4
147.04393	2.3
149.06000	5.7
150.06845	3.6
151.07565	21.2
151.11183	3.3
153.09038	2.1
161.02405	4.9
165.09132	3.6
167.07085	2.5
171.10156	12.2
173.04463	17.1
174.06807	3.4
177.05495	4.2
179.03392	18.2
183.10213	16.1
187.09732	9.3
191.05542	77.7
192.05858	3.1
199.09706	4.6
201.11276	8.6
209.11800	7.7
213.11247	11.8
222.65512	1.9
226.06209	2.3
227.12811	7.5
247.13284	3.7
250.12080	3.5
253.05142	2.4
254.05678	3.4
259.17093	4.8
263.12897	7.5
264.13763	2.2
279.16046	5.6
285.14963	30.7
286.04837	2.2
286.15164	2.3
303.16013	100.0
304.16306	8.4
305.71121	2.0
317.17456	5.6
320.16385	17.6
321.16995	7.3
322.17484	3.1
335.18655	29.5
336.19101	5.0
353.10056	3.4
353.13712	13.6
353.19644	12.2
353.23267	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52983	0.9
59.01241	2.0
62.16136	0.7
67.01763	6.5
71.58112	1.3
79.60452	0.8
85.02837	3.0
91.05402	1.0
93.03352	2.7
105.07007	2.1
106.04138	7.0
109.02844	0.8
117.06983	8.4
118.03329	0.8
119.04912	2.2
121.02835	1.2
132.05708	33.6
132.06709	1.9
133.02899	1.2
134.03632	1.6
135.04419	33.7
135.55971	0.9
136.04735	1.4
137.06000	1.6
138.03127	2.0
147.04414	22.3
148.04839	1.0
149.02318	1.2
149.05988	10.5
153.05429	1.0
159.04436	3.7
161.05991	96.4
161.09631	16.9
162.06329	3.9
163.03908	3.0
164.04698	17.4
165.05486	88.0
166.05830	3.2
173.04465	2.3
173.06020	4.5
179.03439	2.6
179.07056	47.2
180.07434	3.6
183.01123	5.8
187.11212	100.0
188.11510	7.0
191.05540	19.9
191.07100	2.5
192.05893	1.4
217.08714	1.8
297.12704	0.8
335.16611	6.0
342.34833	0.8
353.09143	0.9
353.13693	2.7
353.17648	16.6
354.17865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03839	2.3
68.29996	0.4
71.34606	1.0
91.04831	1.0
91.05408	18.4
93.03339	4.2
98.12286	0.4
99.42031	0.4
109.02850	5.3
111.27721	0.4
121.02845	4.0
133.02887	2.4
135.04417	100.0
136.04755	5.1
147.04411	0.7
149.02373	1.4
159.04439	2.0
161.02364	7.7
170.69911	0.5
177.09012	0.5
191.05592	2.6
191.10722	3.0
203.10831	1.1
216.07901	1.6
224.04729	2.5
225.05528	1.0
231.10239	3.8
252.04250	6.9
253.05014	2.9
265.05112	0.8
267.06607	11.7
268.07193	2.7
277.05057	3.8
281.07968	0.5
282.08978	2.0
283.09845	0.5
309.11627	0.5
335.12885	16.1
336.13199	2.2
346.39066	0.4
353.13956	23.7
353.17621	0.9
354.14328	2.3
368.05615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1393
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
59.01243	1.8
65.03844	2.7
65.68803	0.4
67.01772	0.6
71.18559	1.0
81.03353	0.5
85.02839	0.7
88.41486	0.4
91.05413	14.7
92.05754	0.6
93.03328	3.8
96.95917	0.9
98.95447	0.6
109.02833	14.6
111.04348	0.9
121.02844	9.8
125.09637	0.7
133.02885	0.7
135.04414	100.0
136.04747	3.6
140.63135	0.5
147.04407	5.0
151.07732	0.4
173.04602	1.0
173.05994	19.8
174.06316	1.0
175.07622	0.5
190.06259	0.6
191.05525	4.4
199.07558	1.6
201.05473	3.4
205.08626	1.5
216.07869	6.4
217.08432	0.9
217.97878	0.4
231.10220	19.9
232.10567	1.9
273.88278	0.5
286.04828	0.7
309.11386	1.9
311.00052	0.5
338.11548	0.5
353.10202	3.1
353.14001	6.5
353.18100	0.9
353.23233	0.6
354.14270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.2
59.01258	7.1
62.66759	1.9
65.19115	1.8
67.01768	5.1
69.81823	1.9
70.78285	1.9
71.28079	1.9
85.02810	9.6
87.00723	2.4
91.05394	2.7
93.02846	1.9
93.03323	12.5
95.04937	5.7
96.95866	4.2
98.95478	4.1
107.04899	3.1
108.02052	5.6
109.02827	3.5
111.04396	6.8
119.04866	2.2
121.02798	4.6
122.03631	3.5
123.04429	5.4
133.02876	10.1
133.06453	2.0
134.03650	34.6
135.04411	27.3
137.02325	2.7
144.05696	5.8
147.04439	7.4
148.01639	3.8
148.05202	4.9
149.06000	47.8
159.04419	17.0
160.05101	3.2
161.02397	4.9
163.07588	21.4
173.04466	16.6
173.06001	5.1
173.09631	3.8
174.03149	11.0
175.07538	4.6
179.03424	15.7
185.15379	7.3
188.04750	5.2
189.09131	45.3
190.09465	6.0
191.05524	93.3
191.07095	26.4
192.05908	4.5
195.04495	2.6
199.07558	4.9
199.13359	2.9
202.06374	2.1
203.07085	42.8
203.17671	2.0
204.07396	3.8
210.06679	2.6
211.07597	4.1
213.14899	3.2
216.07945	2.3
217.08653	100.0
218.08998	6.5
221.15446	2.6
225.14999	2.2
237.14941	9.6
239.16454	2.9
255.06683	13.0
264.04361	4.9
265.04950	3.8
279.06595	9.4
281.86105	2.3
283.06116	19.0
317.21191	4.7
323.12946	4.5
325.14383	8.2
335.09393	3.8
335.12903	12.1
335.18655	2.7
335.22293	12.7
353.10107	22.7
353.13974	39.9
353.18716	3.9
353.23117	11.0
354.10437	2.3
354.14325	6.3
364.88419	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.8
59.01244	2.5
65.00198	1.2
65.03825	0.8
66.78706	0.5
67.01765	3.7
71.01250	0.7
81.03333	0.9
83.04903	1.0
85.02827	2.8
85.15219	0.6
87.00777	0.9
93.03343	2.8
95.04874	0.6
96.95835	0.8
97.06468	0.9
98.19796	1.6
105.06990	0.9
107.01268	0.9
108.02069	0.8
109.02849	5.4
111.04388	1.8
119.04926	1.6
121.02849	5.2
123.08041	1.1
124.01646	0.6
125.02341	2.4
125.05949	0.7
125.09569	1.2
133.02806	1.7
135.04414	7.2
149.05957	1.0
151.00269	2.5
161.02312	1.0
169.10129	1.4
173.04510	4.1
175.82910	0.5
179.03426	3.5
187.07530	0.6
191.05539	25.0
197.03354	0.5
197.05809	0.7
198.06725	1.0
201.09166	1.4
209.11681	1.7
213.09174	5.5
213.11148	0.8
223.07507	1.3
224.04736	0.7
227.03444	0.8
231.06577	11.5
232.06979	0.8
235.07541	0.9
239.07040	2.4
240.07860	1.5
242.46631	0.6
243.06485	0.9
247.07602	2.0
249.05467	0.8
250.06064	0.7
251.07088	1.9
252.07921	4.1
254.05658	0.8
263.07077	1.0
263.12744	0.7
265.05011	2.5
266.05872	0.9
267.06552	4.4
267.09396	0.7
268.07394	3.2
269.07611	0.7
277.17847	0.6
279.06607	15.0
280.07388	15.5
281.07977	0.6
283.09610	0.8
284.03204	1.5
291.06638	4.9
291.13663	0.9
292.07391	2.6
293.08438	0.6
295.15588	1.3
300.06229	0.7
303.16034	1.6
305.08279	0.8
319.09668	0.7
320.10461	0.7
320.16312	1.2
321.07336	0.8
321.17041	1.7
323.12857	14.1
324.13242	1.7
335.12872	100.0
335.18448	3.7
336.13159	11.4
353.10065	5.2
353.13959	24.9
353.19196	1.1
353.23074	1.4
354.10770	0.9
354.14349	2.7
373.79578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.5
65.03826	0.6
67.01765	1.0
70.26977	2.5
71.04888	1.2
83.04897	0.9
85.02830	2.7
91.05418	2.1
93.03323	3.0
96.95877	0.9
97.97243	0.6
107.04910	1.6
108.02099	0.6
109.02833	0.9
109.06429	1.8
111.04418	1.8
117.03342	1.1
121.02854	2.0
121.06460	1.4
122.03647	0.8
123.04452	0.9
123.08027	0.7
125.09601	7.9
133.02835	2.4
133.06487	3.0
135.04431	12.5
148.01591	3.4
151.07587	1.5
157.02869	1.3
158.03644	0.9
161.01044	1.3
161.02344	13.7
162.02606	1.1
163.07550	3.0
163.19223	0.6
167.04955	0.7
171.10193	1.3
173.04462	3.6
173.05841	1.1
179.03433	4.3
183.04434	1.9
191.05525	23.2
191.07085	7.2
192.05853	1.4
195.04465	1.9
197.05984	2.3
198.06750	1.1
199.03926	2.0
201.11308	1.2
209.06024	4.6
209.11765	1.0
210.06865	3.3
211.03880	3.3
213.05586	0.9
213.11263	1.3
225.05513	9.0
226.06299	25.8
227.06578	2.0
237.05492	2.3
238.06323	7.9
250.12138	0.6
253.05031	34.7
254.05812	100.0
255.06151	7.2
265.05029	2.9
266.05835	28.8
267.06262	2.5
269.04416	0.6
279.15854	0.8
281.04532	0.8
282.05341	2.4
283.06100	7.6
284.06891	62.6
285.07184	5.1
285.14850	2.5
286.04773	4.7
303.16025	8.0
304.16553	0.8
309.11377	1.0
317.17615	0.7
320.16360	1.2
321.17117	1.9
333.21106	0.7
335.09274	2.9
335.18640	2.6
353.10114	7.6
353.13947	63.6
354.10587	1.2
354.14386	8.4
368.20520	0.6
372.21683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65871	0.6
56.62600	0.7
59.01236	1.9
65.03358	0.7
71.01253	0.8
71.06171	1.3
71.27446	0.6
85.02818	3.8
87.00734	0.8
93.03340	3.3
95.04881	0.8
96.95887	0.9
109.02834	0.9
109.06462	1.2
111.04415	1.3
121.02886	0.9
130.04129	0.9
131.78604	0.6
133.02875	1.3
134.03618	0.9
135.04425	10.1
153.28084	0.7
159.04427	1.9
161.02336	1.3
162.90450	0.6
171.04446	1.9
173.04492	5.6
179.03430	7.4
180.03734	1.0
183.04431	1.3
191.05536	34.6
192.05841	2.3
209.06042	1.4
210.06566	1.0
213.05513	1.1
221.06017	0.7
222.06844	1.3
223.07620	2.0
224.04665	1.2
225.05478	2.2
226.06339	1.2
230.61681	0.7
232.69382	0.8
235.07816	1.0
237.05576	1.0
238.06317	3.2
239.07083	21.7
240.07454	1.6
250.06343	2.1
251.04462	0.9
251.07123	18.8
252.07837	7.8
254.05809	2.6
255.06596	1.0
263.07098	2.0
264.07895	3.2
265.04993	3.1
266.05801	1.9
267.06644	7.0
268.07065	1.1
279.03671	0.8
279.06619	14.6
280.07385	12.0
291.06619	7.8
292.07407	5.2
295.09854	1.1
295.13297	2.1
321.11493	0.9
323.12875	51.3
324.13300	6.0
333.10913	0.8
335.12872	67.6
336.13235	9.0
351.12527	1.0
353.13925	100.0
353.23145	2.1
354.14322	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1029
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
55.01761	1.2
57.03314	1.3
59.01249	4.0
61.10007	0.8
65.03838	2.3
67.01770	1.7
69.03343	1.7
69.54915	0.9
71.04902	1.6
71.58014	1.9
77.59365	0.9
79.05398	0.9
79.74532	0.8
81.03341	1.9
83.04903	2.1
85.02816	4.9
87.00725	1.0
88.30148	0.9
91.05414	18.5
93.03335	7.8
95.04905	3.7
96.95925	1.6
97.06464	1.7
99.04403	1.1
99.17833	0.9
105.07002	1.1
107.04924	3.8
108.02065	2.2
109.02849	2.5
109.06502	1.5
111.04392	2.6
111.12582	0.9
117.03341	3.2
119.04903	1.4
119.08587	0.8
121.02832	2.9
121.06484	3.1
122.03629	1.6
123.04407	4.1
123.08044	5.8
125.09606	13.9
127.03895	1.1
129.06984	1.0
130.04146	4.2
131.55206	0.8
133.02846	11.8
133.06482	7.3
134.03571	1.9
135.04416	90.8
136.04800	3.0
137.05998	2.1
145.06517	3.9
147.08055	10.0
148.01575	17.4
149.02309	2.2
149.05991	1.7
150.06810	1.2
151.07570	4.3
158.03612	4.0
159.04353	1.3
161.02354	100.0
162.02711	5.9
163.07553	9.3
163.11073	1.0
165.09131	1.1
166.06261	2.2
171.10214	1.1
172.05214	1.9
173.04482	6.3
173.06021	6.3
174.06645	1.4
177.05550	1.2
179.03429	7.2
183.10208	1.2
187.09669	1.4
191.05511	39.8
191.07089	55.3
192.05827	1.3
192.07397	3.9
199.09750	1.1
201.11209	2.2
209.11787	1.1
211.03902	1.1
211.13304	1.8
213.11253	2.6
217.05020	7.1
225.05470	2.1
226.06258	3.4
227.12846	1.1
235.06026	7.2
238.06310	1.4
247.13423	1.7
253.04999	3.4
254.05812	8.2
255.06323	1.3
259.17117	1.3
265.05145	1.6
266.05795	2.5
279.16107	1.9
282.05392	2.4
283.06085	4.9
284.06848	6.0
285.14963	5.1
292.03680	3.3
293.12521	1.3
303.16031	17.1
304.16394	1.6
320.16299	3.0
321.16953	2.4
335.09283	15.7
335.18640	6.0
336.09464	1.6
353.10217	20.3
353.14203	7.5
353.19580	2.6
353.23438	1.4
354.10596	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81950	0.3
57.03332	0.3
59.01245	2.8
67.01762	0.7
69.03345	0.4
69.35983	2.4
69.36393	0.6
71.01264	1.2
73.02821	0.6
81.03329	0.6
82.24503	0.3
83.04897	1.0
85.02820	9.3
87.00745	2.4
89.03870	0.3
91.05428	0.4
93.03327	5.9
99.04370	0.7
107.04918	1.7
109.02849	1.0
111.04399	2.1
113.02367	0.4
117.03364	0.9
127.03891	3.2
133.02826	1.4
134.03625	6.2
135.04411	53.2
136.04762	2.3
137.02412	0.7
140.69406	0.3
149.16933	0.3
155.03409	1.2
161.02345	4.4
171.02870	0.6
173.04475	6.3
179.03410	44.6
180.03748	2.1
191.05530	100.0
192.05894	3.7
216.54631	0.3
307.18234	0.3
323.81009	0.4
353.08759	7.7
354.09070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
53.52126	0.8
57.03308	0.9
58.83281	0.8
59.01254	5.7
67.01756	3.6
69.03317	1.4
71.01259	6.5
71.58149	1.0
73.02804	1.4
78.20844	0.6
81.03299	1.8
81.50118	0.7
83.04887	1.5
85.02826	14.4
87.00755	3.3
89.00838	0.7
93.02757	1.6
93.03336	26.3
93.52292	0.7
97.02782	0.7
99.04340	0.7
101.02335	1.6
107.04901	1.5
109.02844	2.3
111.00739	0.9
111.04399	6.3
113.02358	1.3
114.36591	0.7
127.03875	2.1
132.49831	0.7
133.02811	1.9
134.03639	7.1
135.04417	78.9
136.04732	3.5
137.02328	4.6
148.92079	0.7
155.03383	4.2
161.02328	4.7
171.02901	1.2
173.04477	74.4
174.04845	3.6
179.03423	65.7
180.03764	2.7
191.05544	100.0
192.05923	3.8
250.26848	0.8
353.08673	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01245	1.4
60.99150	0.3
65.14558	0.2
67.01749	0.5
69.03335	0.3
69.92724	1.3
71.01260	0.9
73.02835	0.4
77.33054	0.2
81.03319	0.3
83.04900	0.4
85.02823	10.9
87.00750	2.0
90.86038	0.2
93.03334	3.5
99.04389	0.5
103.44466	0.2
109.02833	0.9
111.04426	1.1
127.03900	2.3
129.01643	0.2
133.02867	0.7
135.04395	0.9
137.02292	0.3
147.12527	0.2
161.02386	2.4
171.02875	0.8
173.04443	1.6
179.03395	0.9
191.05556	100.0
192.05887	4.3
304.40530	0.3
353.08755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
51.12761	0.2
57.03318	0.4
59.01252	3.5
61.59958	0.1
62.31114	0.2
67.01770	0.6
69.03334	0.3
71.01254	1.3
73.02837	0.5
74.41738	0.1
81.03344	0.6
83.04900	0.9
85.02825	9.9
86.03169	0.3
87.00755	2.8
88.95261	0.2
89.02293	0.2
89.03847	0.2
91.05435	0.5
93.03337	6.0
94.03679	0.3
95.01270	0.2
98.20556	0.4
99.04379	0.3
99.33331	0.2
101.02321	0.3
106.04105	0.2
107.04916	1.9
108.02068	0.3
109.02854	1.3
111.04412	2.9
113.02341	0.2
117.03362	0.7
120.07520	0.1
127.03907	2.2
129.01837	0.2
129.05316	0.2
130.51115	0.2
133.02855	1.5
134.03642	7.3
135.04416	62.0
136.04764	2.5
137.02339	0.6
148.17549	0.1
153.01840	0.4
155.03410	1.4
161.01065	0.3
161.02357	3.9
171.02928	0.7
173.04475	5.4
174.04811	0.3
175.79431	0.2
179.03423	49.4
180.03778	2.0
191.05540	100.0
192.05879	3.4
237.06055	0.2
243.06509	0.4
353.08722	8.3
354.09152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27095	0.9
59.01255	2.1
60.99175	1.1
67.01754	4.8
69.03337	0.9
71.01250	3.7
81.03339	1.1
83.01277	1.0
83.04904	2.1
85.02332	1.4
85.02814	10.9
87.00764	2.4
93.03336	30.5
98.19724	2.0
109.02834	1.6
111.00715	0.9
111.04401	5.6
127.03951	2.3
133.02858	2.3
134.03636	5.2
135.04416	78.4
136.04742	3.2
137.02344	4.1
155.03429	6.2
161.02338	3.7
173.04471	100.0
174.04811	2.6
179.03421	65.8
180.03802	3.9
191.05536	63.7
192.05840	1.5
336.67136	0.9
353.08704	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.9
61.66462	0.2
67.01773	0.3
69.75729	0.9
71.01257	0.5
85.02817	5.1
87.00747	1.2
93.03332	2.3
99.04379	0.3
109.02826	0.5
109.85180	0.2
111.04396	0.9
119.05445	0.2
119.66462	0.2
127.03921	1.3
133.02863	0.4
135.04427	2.7
136.04672	0.2
137.02399	0.2
140.62346	0.2
155.03358	0.2
161.02357	2.2
162.02696	0.2
171.02917	0.5
173.04488	3.3
179.03421	2.7
191.05548	100.0
192.05884	3.8
353.08878	0.6
369.00180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1708
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01250	46.0
61.05481	2.8
71.58319	4.1
75.00751	11.5
96.95902	13.4
121.10107	7.9
126.14840	3.0
133.02835	5.7
165.54001	3.6
171.10205	20.5
179.68993	2.7
221.13498	2.8
226.01955	3.0
273.18625	4.6
275.20212	20.4
275.83017	3.4
276.20572	3.0
291.19656	10.2
293.21176	24.8
294.21436	3.6
351.17087	100.0
352.17300	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99567	0.9
59.01251	100.0
60.01581	1.7
61.06479	0.9
67.01752	4.4
68.96518	1.0
69.03312	1.2
69.23865	13.5
71.01254	6.2
73.02791	1.4
77.03859	1.5
83.04897	1.1
85.02821	4.6
87.00746	7.0
87.42294	1.0
89.02329	1.7
93.03333	22.3
94.03653	1.4
95.04910	2.5
96.95877	1.7
99.00770	1.5
101.02330	1.7
105.03333	7.1
107.01241	1.1
107.04901	2.2
109.02827	8.4
111.04399	4.5
113.02377	1.4
123.04384	4.1
127.03878	1.4
133.02847	45.8
134.03212	1.8
135.04414	14.4
137.02319	1.6
149.02356	2.4
150.03084	3.4
151.03856	1.7
155.03404	3.1
159.04321	1.3
161.02368	2.9
173.03088	2.2
173.04472	29.8
176.04010	1.6
177.01845	14.1
179.03386	5.6
191.05547	42.9
192.05766	1.8
195.02928	1.6
205.47345	1.1
215.05563	15.9
216.05904	1.6
216.09360	1.3
307.08154	1.6
339.05203	1.8
351.07245	9.5
351.14484	2.1
352.07727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
67.75889	1.6
69.27763	7.4
69.28194	10.8
80.63067	1.6
82.65483	1.8
109.70120	1.5
112.31509	1.7
128.07693	1.4
145.01152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.31806	6.8
69.32220	4.8
71.01255	3.2
71.77515	1.2
85.02865	1.3
91.93269	1.1
93.03337	4.2
105.03355	1.4
107.30802	1.1
109.02875	1.3
122.46062	1.4
133.02869	10.7
135.04422	3.9
143.93301	1.2
147.74734	1.1
173.04475	5.0
175.11043	1.1
177.01962	2.8
179.03418	1.6
191.05551	5.2
215.05539	2.1
249.89981	1.3
252.79259	1.3
282.43167	1.3
351.07062	1.4
351.14832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1235
Annotation	Sigmoidin H
Peak:m/z	Relative Intensity
59.01245	3.5
63.27623	0.8
70.33287	3.0
72.78589	0.9
89.03826	2.0
91.05406	11.9
93.03336	4.2
95.04939	1.0
96.95876	3.0
102.86192	1.0
105.03398	0.9
106.11182	0.9
117.03344	2.3
121.02917	0.9
123.04433	1.5
132.02069	1.1
133.02858	21.7
134.03595	1.0
135.04419	58.8
136.04762	1.9
148.01572	2.7
149.05965	3.7
157.06500	2.8
159.04373	2.0
161.02361	100.0
162.02696	4.1
173.04582	1.5
173.06020	4.1
174.06790	29.3
175.07164	2.1
189.09158	94.9
190.09470	6.0
191.05441	1.1
201.05473	1.0
237.14937	2.6
255.16032	2.2
263.12585	0.9
288.74039	1.0
291.19638	3.7
309.20694	2.7
333.20575	1.4
351.12384	68.0
351.21777	2.2
352.12653	7.2
371.27069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93164	0.7
57.03320	1.2
59.01252	13.4
60.99182	1.5
67.01756	8.0
68.35894	0.7
69.03336	2.4
69.26865	8.3
71.01245	5.0
73.02827	1.7
77.03856	1.7
81.03313	3.5
81.04070	0.8
83.04910	2.4
85.02823	7.6
87.00748	12.8
89.03860	1.0
91.05450	1.2
93.03335	48.9
94.03690	1.4
95.04909	5.5
96.95885	1.5
99.00771	1.2
99.04419	1.3
105.03345	16.2
107.04913	5.5
108.23517	0.7
109.02835	21.7
109.06493	0.8
111.04402	10.1
117.03360	1.8
119.20278	0.7
121.02859	2.7
122.03641	3.3
123.04418	10.9
127.03928	2.0
132.02168	1.4
132.34381	0.8
133.02852	100.0
134.03249	2.3
135.04420	35.4
137.02345	4.1
137.05914	1.0
139.03906	1.1
149.02374	4.9
150.03114	11.2
151.04001	3.7
155.03413	3.4
160.44057	0.7
161.02376	2.8
171.10085	1.7
173.04472	55.3
174.04825	2.2
177.01851	38.0
178.02379	3.4
179.03421	11.1
180.03752	0.9
191.05545	60.8
192.05901	1.4
195.02969	2.3
215.05553	44.0
216.05960	1.8
229.14383	2.3
291.19592	5.5
301.14532	1.2
307.08249	7.1
309.20813	3.0
336.15927	1.3
351.07248	17.9
351.18185	4.2
351.21759	1.2
352.07559	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01753	3.3
57.03319	4.5
58.00472	5.1
59.01254	100.0
69.03313	1.4
71.01257	85.8
71.04879	1.0
71.10289	2.4
72.99176	5.6
73.02818	11.3
75.00747	1.2
79.93828	5.1
81.93414	1.2
83.00829	1.0
83.01241	5.9
85.02826	23.7
87.00761	4.7
87.02203	0.8
87.04377	1.3
89.02320	76.3
90.02681	1.1
95.01264	7.7
97.02807	1.1
98.48499	0.9
99.00761	4.1
101.02325	56.2
113.02335	35.6
115.03909	0.9
119.03388	36.4
125.02364	2.0
131.03397	4.4
143.03395	6.8
149.04471	3.0
159.02887	4.0
161.03203	1.6
161.04468	22.3
162.23763	0.8
179.05493	11.9
187.13313	14.4
188.13696	1.1
312.71219	0.9
349.09747	2.6
349.15265	2.6
349.18686	54.1
350.19135	4.1
352.13428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01760	5.4
57.03315	5.6
58.00459	3.0
59.01254	95.0
69.24200	29.6
71.01255	100.0
72.99193	4.5
73.02824	22.5
83.01256	11.5
85.02827	35.4
87.00755	6.0
87.04384	2.5
89.02313	51.2
95.01261	8.4
96.95897	2.4
99.00776	12.3
101.01693	5.0
101.02321	64.4
102.02646	3.6
113.02329	37.0
119.03365	23.5
121.02178	2.3
121.12112	2.3
125.02322	2.6
125.60892	2.3
143.03406	5.6
157.44902	2.4
159.02963	4.0
161.04480	30.6
169.08600	3.5
187.13280	10.3
349.14917	16.4
349.18658	28.6
350.15167	3.4
350.19107	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03323	1.5
59.01253	100.0
60.01587	0.9
68.47433	0.4
69.58696	1.2
69.59120	1.3
70.63639	0.3
71.01254	16.9
72.99197	1.0
73.02824	4.7
75.00752	0.6
83.01253	2.2
85.02828	7.5
87.00758	1.0
89.02322	2.9
93.03377	0.4
95.01284	1.2
96.71684	0.3
96.95917	0.5
97.02818	0.5
99.00745	2.6
101.02327	10.8
102.02713	0.4
107.01341	0.4
109.02885	0.3
111.00752	0.6
113.02326	6.8
119.03394	0.9
125.02341	0.4
135.04410	0.4
138.25206	0.3
139.00237	0.5
143.03421	1.1
145.12262	2.4
151.00336	0.5
159.02919	1.4
161.04468	10.8
178.99821	0.5
253.19650	0.3
289.16641	1.5
305.11554	1.2
307.17633	14.8
308.18100	1.2
349.18759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
57.03331	2.2
59.01252	100.0
60.01567	1.2
62.79154	0.9
69.03312	1.2
71.01257	18.3
71.57963	1.7
72.99179	1.6
73.02822	9.2
83.01253	2.9
83.87362	1.0
85.02816	7.1
87.00723	1.8
89.02322	8.0
91.91461	0.9
97.02786	0.9
99.00751	1.7
101.02317	11.6
101.05974	1.1
109.06467	1.7
113.02341	7.2
119.03405	3.2
125.02312	1.6
129.58031	0.9
134.03497	2.6
137.23296	0.8
143.03403	1.4
143.34854	0.9
156.71695	0.9
159.02864	1.5
161.04459	4.7
187.13353	2.1
265.89609	0.9
307.13815	1.5
331.21338	1.1
349.11221	2.0
349.15091	1.9
349.18567	3.5
349.22330	24.1
350.22586	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.40043	1.3
60.01584	1.8
69.58939	1.2
69.59206	12.5
71.01256	10.2
72.99177	4.1
96.95855	2.6
98.81020	1.4
101.02327	1.8
103.03857	2.2
111.57143	1.5
120.06156	1.4
133.51712	1.9
137.02310	1.6
141.14200	2.0
153.17332	1.4
157.04942	2.4
217.74686	1.6
247.08127	2.8
254.55379	1.6
264.31155	1.7
273.33035	1.5
287.36420	2.0
349.20029	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.3
55.26083	1.2
57.03316	2.2
58.00459	2.1
59.01250	100.0
71.01254	31.7
72.99193	2.4
73.02834	5.6
75.00756	1.4
83.01258	2.1
84.80535	1.2
85.02827	6.3
87.00784	1.4
89.02320	23.3
95.01242	1.8
96.95857	1.4
98.20544	3.9
101.02318	20.1
106.89175	1.1
113.02332	11.6
119.03409	11.2
119.04745	1.2
127.07611	1.3
134.02318	1.1
135.04375	1.9
138.05533	2.0
143.03401	1.7
149.44893	1.1
161.04463	5.5
166.05009	2.5
179.05519	2.0
180.35641	1.0
187.13286	2.1
234.54893	1.3
237.96091	1.1
289.12900	1.5
305.11505	2.3
307.14075	3.4
349.10745	2.1
349.15048	7.6
349.18881	3.7
374.94818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01588	1.0
71.01251	9.2
96.95914	1.1
102.29869	0.7
103.03913	2.6
113.02328	0.8
144.62186	0.8
157.04970	2.0
229.48463	0.9
247.08260	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39600	7.2
60.16401	8.8
69.26243	7.8
70.65950	8.0
71.01254	9.5
71.43590	8.0
71.44691	13.0
81.85113	7.7
87.63966	7.8
101.70934	8.7
106.31131	8.3
138.61067	8.2
145.10095	8.0
163.18285	7.6
209.05666	22.3
234.22794	9.9
238.06078	73.3
239.06903	65.7
241.68993	8.5
249.02321	8.4
270.05191	8.6
302.84769	9.3
309.20612	100.0
341.14636	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
58.02857	0.5
58.99470	0.7
59.01253	11.0
60.01606	0.4
60.53916	0.4
63.94329	0.4
64.95119	0.7
71.01256	10.4
72.99194	0.9
73.02822	1.7
74.98956	1.1
79.93834	100.0
80.93787	0.6
80.94621	1.5
83.01252	1.0
85.02824	3.6
87.00748	1.3
89.02322	6.8
95.01256	0.7
95.93339	1.5
98.20578	0.7
99.00762	0.6
99.02635	0.5
101.02326	5.9
109.06408	0.5
113.02332	4.6
113.04202	1.0
114.09119	1.1
119.03395	3.5
125.02370	0.4
125.04234	0.6
125.09580	0.7
136.68826	0.5
140.76015	0.4
143.03415	0.6
159.02890	0.5
161.04482	2.7
169.08615	1.0
179.05548	1.3
187.13342	1.4
189.54941	0.5
217.13614	0.5
228.10616	1.6
240.10695	2.7
242.12180	1.2
252.10623	2.0
254.12076	0.5
266.13950	1.8
267.14789	3.1
268.15479	2.3
284.15115	0.7
286.09558	0.7
299.13791	3.5
314.10623	1.1
348.09433	27.0
349.09903	2.8
349.14624	0.9
349.18613	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30586	4.5
59.01246	13.0
64.79512	4.2
67.01768	7.2
68.99698	4.8
69.03345	6.2
71.01248	12.3
71.04893	4.9
71.13671	5.6
71.13995	7.4
77.03825	10.6
81.03339	10.9
93.03345	13.6
95.01265	16.2
95.04903	18.1
97.02796	6.0
101.02271	5.1
105.03330	18.4
107.04892	7.4
108.02054	5.9
109.02854	22.4
121.02825	40.6
122.03571	8.9
123.04417	50.1
124.01533	12.9
125.02334	6.6
133.02808	5.1
135.04401	15.9
135.08052	6.2
137.02357	15.6
137.05994	5.8
139.03931	21.4
140.01025	22.9
147.04416	12.8
148.01530	7.1
149.02347	100.0
149.05992	9.5
150.03073	19.7
151.03918	15.3
161.02336	15.1
163.03825	5.6
165.05472	5.7
167.03409	62.0
167.06990	6.0
177.09143	5.4
179.03366	6.2
193.08453	16.0
198.07050	4.7
207.09978	10.9
212.08417	4.9
215.93881	4.8
225.05516	5.6
226.17743	4.4
230.14307	4.3
237.05632	5.3
238.06335	10.8
239.07021	6.9
240.07912	10.6
252.07904	7.1
255.06705	4.8
255.09993	6.8
260.10184	5.5
265.05002	6.6
266.05896	8.2
275.20093	16.0
278.11331	18.4
285.11252	5.7
292.97879	4.7
303.12390	11.5
329.10214	7.5
342.79056	5.8
347.11469	22.5
347.18402	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76677	0.9
51.03274	0.8
54.03653	0.9
56.81041	0.8
59.01252	29.4
71.58104	1.4
73.28120	0.7
87.94313	0.8
89.02289	1.0
94.51230	1.0
109.58617	1.0
145.86296	0.9
149.15695	0.9
153.50098	0.9
203.25830	1.2
263.20160	100.0
264.20471	8.8
295.26648	1.2
345.16452	1.8
345.20407	13.6
346.20694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59998	0.3
57.03317	0.4
64.03064	0.5
69.33521	1.0
69.33941	2.5
83.04890	0.5
97.06444	0.5
99.08076	0.4
109.02808	0.5
113.09574	0.4
121.10120	11.5
122.10342	0.3
122.57546	0.4
125.09604	1.3
127.11185	2.8
137.09599	3.0
139.11206	3.3
153.01836	0.4
153.09070	0.8
163.35286	0.3
165.09140	0.9
171.10182	70.3
172.10529	2.5
199.23627	0.3
201.11310	0.9
214.30630	0.4
233.87840	0.3
293.21326	2.0
311.22287	0.4
313.23773	0.3
343.24881	100.0
344.25220	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	97.4
71.01253	3.2
71.48048	2.6
83.01261	1.3
87.00790	1.3
89.03815	1.0
95.01286	1.3
95.04928	1.8
109.02856	1.3
111.00750	1.4
113.02292	1.8
123.04415	100.0
124.04808	3.0
139.00270	2.8
139.03915	1.9
161.04477	4.7
162.36270	1.1
173.48647	1.3
186.27721	1.2
213.05190	1.8
278.18564	1.4
292.86435	1.4
345.04471	2.9
345.08331	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1555
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.28833	1.4
52.76040	1.2
53.98368	1.5
55.01742	4.9
57.03321	3.5
58.00464	2.8
59.01250	71.6
66.23480	1.2
69.03330	1.5
71.01253	65.9
71.57811	1.5
72.01588	1.4
72.99174	5.3
73.02819	12.7
79.95564	1.1
83.01257	8.9
85.02831	27.6
85.99983	1.7
87.00741	4.7
87.60249	1.2
89.02318	34.5
92.72437	1.5
93.03312	3.5
93.20826	1.2
95.01246	5.2
97.02815	1.6
99.00748	6.4
101.02320	49.0
105.78728	1.3
111.00744	2.1
113.02325	29.6
119.03403	15.4
121.10116	6.5
132.04465	3.9
135.04369	3.4
140.07076	1.7
141.05406	1.6
143.03362	1.4
149.04317	1.3
151.92957	1.5
155.20602	1.4
159.02863	2.9
161.04457	8.6
165.04202	2.8
165.09088	5.2
173.04495	5.2
176.37413	1.3
179.05560	1.7
183.10168	5.3
191.05508	1.5
229.04300	5.8
257.12866	3.6
271.48938	1.5
285.04031	2.8
301.11926	2.8
301.16687	2.0
345.10876	10.7
345.15469	100.0
346.11652	2.1
346.15756	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
61.65411	0.5
62.09101	0.6
69.03285	0.6
70.00835	1.1
70.01249	2.6
83.04927	1.1
90.98959	0.5
94.62107	0.5
98.20440	1.0
99.08035	2.5
109.02844	0.8
112.15968	0.6
121.10122	8.2
122.03692	0.6
125.09574	1.0
127.11185	2.1
137.09605	1.7
139.11162	2.8
153.09091	0.7
171.10184	51.2
172.10533	2.6
193.12274	4.9
201.11281	0.6
211.13423	0.8
225.14919	6.6
226.15361	0.8
243.15918	2.8
289.18164	1.0
293.21249	3.9
294.21564	0.9
311.22217	0.6
343.24884	100.0
344.25229	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03320	1.0
57.60765	0.6
59.01253	0.9
62.11155	0.6
70.58703	0.6
71.18777	1.6
71.19122	0.8
83.04906	1.2
91.40596	0.7
99.08040	5.1
109.71114	0.6
118.16512	0.7
121.10117	7.0
125.09592	1.7
127.11205	1.4
137.09587	1.7
145.88802	0.7
171.10196	45.5
172.10535	2.1
193.12267	7.3
211.13271	1.2
225.14909	12.1
243.16071	4.4
293.21207	3.4
343.24884	100.0
344.25226	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03329	3.0
59.01245	1.0
69.03320	2.3
71.01267	1.0
71.04880	2.7
73.02806	0.7
74.88906	0.6
83.04876	3.7
84.02042	2.0
85.02843	4.7
85.06471	0.7
87.04371	1.6
95.04928	3.1
97.02837	2.6
97.06473	2.9
99.04417	0.7
106.04124	0.8
109.06486	1.3
111.04410	0.7
111.08051	0.7
113.39648	0.5
123.08073	3.2
125.09608	2.3
127.11205	1.3
135.08072	2.1
137.09657	1.5
138.08279	0.6
141.09088	2.1
145.00468	0.6
151.11177	0.8
153.09128	1.5
163.11205	0.9
165.12729	0.7
171.10187	19.0
171.23184	0.7
172.10503	0.9
177.45830	0.6
181.12285	2.4
183.13806	1.4
187.09703	3.5
195.13873	0.8
201.11266	2.0
207.41949	0.6
209.11803	2.7
211.13341	8.7
227.12840	0.9
229.14401	8.1
237.14902	4.7
249.14955	1.1
289.18176	2.3
307.19171	0.8
325.20221	4.1
326.20572	0.9
339.47208	0.6
343.21259	100.0
344.21649	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
58.00455	0.6
59.01254	1.2
59.03356	0.4
69.03327	0.4
71.01247	1.0
71.04882	1.4
73.02840	0.6
81.03316	0.9
83.04895	1.8
85.02826	0.9
85.60464	0.4
93.06985	1.4
95.04891	0.6
97.06467	1.5
98.20550	1.1
106.04115	0.5
109.02824	0.9
109.06501	1.1
119.08528	0.5
121.02896	0.5
121.06483	2.0
123.08046	12.4
125.09616	6.0
127.11187	4.2
135.04453	3.2
135.08054	1.8
136.31198	0.4
136.32359	0.5
137.02303	1.7
139.11118	0.6
150.04121	0.5
153.05458	0.5
153.09129	1.9
155.10704	2.1
161.02356	0.6
165.09131	1.6
171.10176	11.9
172.10486	1.2
177.05536	0.6
183.10143	1.0
185.11732	1.2
197.11795	0.6
199.09698	1.5
200.10352	0.7
201.11252	31.6
202.11633	1.8
209.11708	0.9
213.11304	1.5
215.12813	1.3
229.14442	0.6
239.12883	1.1
289.18103	1.5
294.81744	0.5
307.19269	1.2
325.20169	5.5
343.21234	100.0
344.21552	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12420	18.9
58.38427	18.0
59.01247	53.8
71.01271	42.0
71.58187	29.9
71.80518	22.1
110.68965	16.6
121.02860	38.5
131.16522	18.7
168.66220	18.0
171.10178	54.4
187.09619	27.8
228.25645	20.0
250.33989	17.7
307.19113	33.9
343.07397	87.7
343.15262	42.5
343.20898	27.0
343.24902	100.0
344.77707	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03312	1.7
57.47701	0.5
58.00462	0.9
59.01248	3.2
62.33927	0.6
67.43929	0.7
67.75986	0.6
69.03335	1.0
69.28284	3.1
69.28712	3.1
71.01265	1.2
71.04893	1.6
73.02825	0.8
81.03321	0.9
83.04896	2.7
84.02042	4.0
85.02823	1.8
85.06465	1.3
87.00755	0.6
87.04398	1.3
93.03326	1.1
95.04914	6.1
97.06470	1.9
97.98164	0.6
106.04131	1.0
109.06449	0.6
111.00764	1.4
111.04404	0.8
113.05985	1.7
123.08059	6.2
125.09612	3.5
127.11182	3.9
135.08058	2.8
152.46608	0.6
153.09146	1.5
155.10690	1.5
167.14308	0.7
167.78040	0.7
171.10188	16.5
172.10538	1.3
183.13823	1.7
201.11272	16.0
202.11693	0.8
209.11803	2.3
211.13353	9.0
211.46284	0.7
229.14406	17.8
230.14796	1.0
237.14902	1.5
239.12785	0.9
249.14879	1.2
253.05095	2.4
259.15402	1.0
267.15906	0.8
289.17984	1.4
307.19241	1.2
325.20172	4.1
343.12534	2.0
343.21259	100.0
344.21561	9.1
353.01144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78082	1.9
59.00948	4.9
59.01250	100.0
59.42692	1.9
65.84222	2.4
66.48894	2.1
71.01263	7.9
71.58915	3.8
73.02855	2.0
82.55519	2.0
83.01276	2.8
85.02814	4.7
89.02335	6.7
93.03362	2.3
109.02840	2.4
113.02330	3.5
119.03416	2.2
144.04463	4.1
148.29686	2.2
160.09015	2.0
165.01889	2.1
177.33266	2.2
187.09737	2.1
197.34120	2.1
203.05798	4.5
207.81976	2.0
343.12085	14.0
343.21213	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.03318	0.9
59.01253	14.2
69.70171	4.1
71.01260	5.4
73.02840	3.9
75.00728	0.6
81.03327	0.7
83.01258	1.2
85.02847	1.0
89.02321	1.1
93.03328	1.5
99.00774	0.8
101.02338	3.7
104.88923	0.5
107.04954	0.8
108.02026	0.8
109.02834	1.6
113.02345	2.0
119.04931	1.5
121.02887	3.6
121.06553	0.8
122.03638	11.9
123.00797	2.1
123.04457	2.9
124.01575	1.3
131.03444	0.8
132.07585	0.7
135.04436	8.1
136.05209	69.2
137.06067	5.9
138.03156	0.8
139.03925	2.6
140.07091	8.5
149.05949	1.2
151.03954	1.7
161.04593	1.0
161.05885	0.8
163.03954	4.3
163.07603	0.9
179.03448	3.4
179.07076	2.5
180.04213	100.0
181.04985	27.2
181.08626	19.5
182.05396	0.7
182.08864	0.7
189.04329	1.0
191.05540	0.9
191.07100	1.7
193.05013	2.0
247.99402	0.6
255.10287	1.6
284.22250	0.8
343.10330	51.8
343.13580	2.5
344.10828	3.6
344.24368	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
58.74714	0.4
59.01258	3.7
63.33027	0.5
70.86934	1.4
71.01255	4.3
85.02795	0.5
89.02290	0.5
91.05375	0.5
93.03347	1.1
93.06977	8.4
93.76463	0.5
95.01250	0.7
95.04909	4.1
104.44131	0.5
108.02072	1.5
109.02837	17.6
119.04913	0.8
121.02848	25.4
123.00778	5.9
124.01549	1.5
126.90662	0.5
133.84555	0.5
135.04453	2.5
137.05983	100.0
138.03172	2.6
138.06340	4.4
139.03915	5.5
163.03914	16.0
181.04988	76.8
182.05414	2.8
205.04987	0.7
287.60031	0.6
343.10321	34.0
344.10574	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97558	1.1
55.96363	1.1
59.01249	67.8
66.03162	1.0
67.12249	1.1
69.44786	1.2
70.04015	3.9
70.04423	2.6
78.95782	1.9
84.39919	1.1
100.10464	1.1
126.35977	1.1
126.63078	1.2
143.24251	1.0
157.03465	3.4
159.01404	5.0
201.02483	100.0
202.02615	8.0
217.39796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31463	2.0
59.01252	100.0
69.47974	4.7
69.48384	13.8
71.01257	39.5
71.26779	2.3
72.99178	3.1
73.02822	52.8
75.00750	4.3
79.65932	2.3
80.89796	2.1
81.03330	6.9
83.01250	12.2
85.02816	5.7
87.00732	4.9
89.02316	8.8
90.49448	2.1
93.03337	17.2
95.01274	4.0
96.95872	2.6
97.02840	3.2
101.02319	44.3
109.02816	3.9
111.04408	7.0
113.02337	14.4
119.03396	3.9
121.02846	94.4
122.03156	3.4
129.01843	2.3
131.03406	3.1
135.04379	4.0
138.03156	3.1
138.05536	3.2
139.03920	36.6
139.05690	2.4
149.04506	3.2
161.04475	7.4
163.03888	2.6
165.73915	2.5
176.03413	2.7
186.65439	2.4
219.05019	2.9
343.10297	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.9
59.01251	63.2
60.01589	0.9
61.98703	0.7
66.79340	0.5
68.01283	2.4
69.03324	1.4
70.86151	0.5
71.01262	6.2
71.57919	1.1
72.01592	0.9
72.99188	0.6
73.02808	1.2
75.00751	1.1
78.95766	1.9
83.01242	0.9
83.04913	0.9
85.02826	1.7
87.00767	1.4
89.02319	4.6
90.02676	1.0
93.03337	0.9
95.04929	0.7
96.96857	0.9
99.00768	1.3
101.02323	2.4
105.40057	0.5
107.04925	1.1
107.87723	0.7
109.02793	1.2
111.04478	0.7
113.02331	2.3
116.07082	1.0
119.03406	1.3
121.02748	0.7
121.06447	0.6
122.02364	1.2
122.06007	1.0
123.03149	6.2
133.17522	0.6
135.04478	3.1
137.02319	1.2
137.05946	0.6
138.05507	100.0
139.03885	2.3
139.05835	3.2
149.05992	1.9
152.07108	1.2
161.04501	0.8
163.03937	3.7
163.29758	0.6
165.03923	0.7
167.05803	0.8
173.04472	1.2
176.03716	0.8
179.03416	2.6
179.05731	2.5
180.06604	3.2
181.04999	4.6
181.08690	2.7
183.05261	1.0
191.05504	1.9
192.06613	4.0
197.96277	0.7
228.74614	0.7
282.09827	13.8
283.10312	0.9
288.21234	0.7
300.10889	6.4
324.12744	0.6
327.08533	1.5
342.11694	5.5
342.22989	0.8
343.14023	2.4
353.36154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52734	0.8
50.90485	0.9
57.03303	1.4
59.01252	14.8
59.34333	0.9
60.95011	0.8
70.03788	4.3
71.01256	11.8
80.02560	1.3
80.54259	0.7
84.02050	1.9
85.02815	2.2
89.02318	10.6
97.02808	2.1
97.06471	1.5
101.02318	5.1
101.75522	0.9
113.02326	3.4
113.09580	1.8
119.03369	3.7
119.99973	1.0
123.04382	2.1
123.08073	1.5
125.09614	2.4
127.07578	1.3
127.11256	1.0
131.03452	1.0
137.09595	1.6
139.07565	1.1
139.11137	1.1
143.03435	1.2
151.01599	0.9
151.11179	6.3
153.09085	3.8
153.12704	1.1
154.09891	3.4
155.10707	1.1
159.79523	0.9
161.04416	1.1
165.12700	1.0
169.12346	1.0
171.10194	10.3
179.05492	2.9
193.12274	1.3
195.13905	1.9
201.11354	0.8
213.11215	4.8
221.11812	1.9
225.14810	1.5
247.20679	7.0
291.19662	100.0
292.19937	10.2
309.20700	40.9
310.20993	3.0
323.22037	2.3
325.20221	1.4
341.10892	2.9
341.23309	61.9
342.23618	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90297	0.6
59.01257	0.7
67.47901	0.6
69.03340	1.4
70.02904	2.9
80.59875	0.6
84.02041	24.4
87.81514	0.6
97.02827	9.2
97.06499	0.7
99.04404	5.8
105.24886	0.5
110.03599	1.0
119.08552	2.5
125.09608	0.7
127.11158	2.3
135.08057	2.5
137.09602	1.7
151.11220	0.8
157.59924	0.6
171.10178	70.7
172.10487	2.6
183.07921	0.6
193.12302	1.1
211.71408	0.7
225.14941	2.3
239.12950	1.3
253.14362	1.0
291.19687	2.7
341.23309	100.0
342.23630	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78871	1.5
57.03315	5.0
58.00458	4.7
59.01251	27.1
65.03835	5.0
67.01744	2.9
69.03330	9.0
70.84037	3.3
70.84397	3.4
71.01254	17.6
80.82932	1.7
84.02038	3.2
89.02313	17.6
93.03349	2.7
97.02844	3.6
97.06456	4.3
99.04395	2.1
101.02340	10.4
107.04919	8.0
108.02020	2.8
109.02843	26.2
109.06507	2.7
113.02334	5.7
119.03413	8.4
119.08545	11.6
121.06505	3.7
122.03629	2.5
125.09615	6.5
127.11182	15.5
132.08337	1.6
135.04436	2.9
135.08072	4.7
137.09621	43.0
149.05963	5.5
151.03912	31.2
152.04173	1.7
152.14589	1.8
155.10683	2.3
161.04463	3.0
161.09608	2.3
163.03932	8.2
165.09335	1.9
171.10184	100.0
172.10555	5.3
177.09128	14.8
179.05595	4.8
183.01187	3.0
185.11685	2.1
189.09154	16.3
193.12271	3.1
199.09756	3.5
201.11264	55.4
202.11610	2.7
205.08649	7.4
213.11186	11.0
213.14771	2.1
221.11845	2.3
223.20599	4.8
225.14937	4.4
231.10219	4.3
243.16014	2.7
267.19635	3.7
273.18726	3.8
291.19724	9.8
305.17783	2.0
309.20657	15.7
323.22302	5.8
341.10583	6.5
341.14252	3.6
341.19696	3.0
341.23331	80.2
342.23706	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55994	0.8
58.41769	0.8
59.72597	0.8
62.17958	0.8
67.01700	0.9
67.09369	0.8
69.03308	1.3
69.82300	5.6
83.04918	1.4
84.02032	17.4
95.35596	0.9
97.02829	10.5
97.06456	3.1
98.19842	1.3
99.04414	5.2
100.03436	0.9
104.86876	0.9
111.08012	1.3
119.08538	1.1
125.09586	1.3
127.11148	2.0
128.37708	0.8
135.08040	1.9
137.09656	1.8
171.10179	59.5
172.10591	2.2
193.12265	3.6
211.13364	1.3
221.11697	0.9
224.63132	0.9
225.14935	6.2
243.16045	2.5
253.14474	2.0
291.19626	6.6
292.20154	1.0
341.23309	100.0
342.23648	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46975	0.6
59.01256	0.7
63.19693	0.6
66.58727	0.6
69.03308	1.5
69.80275	0.6
70.91617	2.2
84.02043	23.4
91.05409	1.1
97.02829	13.1
99.04383	5.4
109.02847	1.2
119.08562	4.1
121.02827	0.7
122.95782	0.8
125.09605	1.6
127.11176	1.6
135.04424	8.1
135.08034	2.5
137.09592	2.5
171.10191	67.5
172.10513	3.1
183.13817	1.3
189.44119	0.7
189.50639	0.8
201.08989	0.7
211.13275	0.7
219.10220	1.2
239.12805	1.6
253.14296	1.3
273.18640	1.2
291.19504	3.8
341.23315	100.0
342.23676	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.0
59.01254	11.2
68.49260	1.5
69.35815	1.7
69.36158	15.3
71.01257	18.8
71.04885	9.9
73.02827	2.9
81.03332	3.5
83.04893	11.1
84.02054	3.0
85.02821	6.4
85.06453	2.0
89.02331	5.9
95.04918	11.8
97.06473	6.4
98.20536	3.5
99.04394	2.9
107.04901	4.6
109.02840	2.0
109.06489	3.2
110.03629	4.6
111.04408	2.9
111.08047	2.5
113.02319	2.3
113.05977	1.7
122.96288	1.4
123.04417	1.4
123.08032	3.5
125.05981	16.4
125.09593	7.8
130.16664	1.4
135.08044	2.3
137.02350	3.2
137.06006	8.2
149.09651	2.9
155.07034	4.8
161.37146	1.5
163.11186	3.8
165.12740	3.5
171.10187	2.0
177.12804	2.4
181.12375	1.8
185.10199	3.0
185.11757	43.1
197.11766	28.5
198.11938	2.2
201.11394	1.7
209.11771	100.0
210.12096	7.4
221.11789	10.4
223.13417	1.9
227.12872	10.4
235.13388	4.4
237.14937	2.8
239.12828	9.2
247.13370	1.8
249.14937	3.2
251.12843	13.0
253.14513	3.9
257.13806	4.0
261.18524	2.1
265.14529	10.2
271.15738	1.5
285.99146	1.7
287.16495	2.8
305.17532	17.8
306.17896	1.7
323.18594	17.6
324.19086	2.4
341.19711	29.9
342.20169	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24422	1.7
57.03316	3.8
58.00462	2.7
59.01247	7.5
69.03328	3.9
71.01260	5.9
71.04898	7.6
71.45686	2.0
73.02818	4.4
74.86995	1.6
80.02544	2.2
81.03339	6.3
83.04897	8.9
83.61067	1.7
85.02824	2.2
87.04383	2.5
89.02302	2.8
93.03343	1.9
94.66795	2.0
95.04900	8.3
97.06480	3.6
98.03619	6.1
106.25941	1.6
107.04887	2.0
109.06474	39.8
111.04404	3.6
113.05955	2.2
119.03419	2.9
121.06493	2.1
122.03704	1.8
123.04398	2.1
123.08055	23.0
124.08338	2.1
125.05958	6.4
125.09611	26.0
127.07542	15.0
127.11180	14.2
135.08057	3.8
137.09575	4.2
141.09119	5.3
151.07542	3.8
151.11211	3.7
153.09070	3.7
155.10683	5.1
163.11218	4.0
164.39728	1.8
165.09109	5.0
171.10201	15.1
183.10251	2.2
185.11734	13.1
195.10193	3.5
197.11794	10.5
199.09666	15.3
201.11264	100.0
202.11554	5.0
209.11771	58.5
210.12120	3.8
213.11266	64.4
214.11618	5.4
221.11745	4.6
227.12845	6.5
233.11826	2.1
235.13411	2.1
239.12863	3.6
242.97466	2.6
247.13257	2.9
249.14955	2.5
251.12868	29.7
252.13109	3.0
253.14732	2.1
265.05136	2.2
265.14453	6.7
287.16510	23.9
288.16589	2.3
293.24118	1.7
305.17596	23.8
306.17728	3.6
323.18665	28.6
324.19125	2.3
341.19696	58.6
342.19974	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17442	2.1
57.03314	5.3
58.70031	2.1
59.01250	10.8
68.50596	2.3
69.03321	2.3
69.95087	13.3
71.01253	4.4
71.04894	36.7
79.38841	2.2
81.03327	41.1
83.04903	26.6
84.02045	4.7
87.04392	2.6
88.25923	1.9
89.02299	3.2
93.03358	2.8
95.04897	13.5
97.02840	7.6
97.06467	4.5
98.03646	4.4
98.20493	3.0
99.04395	49.5
101.06002	2.5
105.04040	2.1
107.04924	3.7
109.02844	5.2
109.06476	10.6
110.03612	2.6
111.04425	11.9
121.06459	3.3
123.04413	2.3
123.08054	5.1
125.09588	3.5
133.06487	2.6
135.04463	3.0
135.08040	4.1
137.05951	2.3
151.07603	15.0
153.09134	3.7
161.06004	2.9
165.09137	4.2
171.10197	43.2
189.12723	3.2
191.14322	10.5
193.12300	24.4
199.13292	5.3
207.13918	3.3
209.15599	2.4
211.13333	6.9
217.12289	3.1
233.11865	4.5
235.13367	56.1
236.13734	2.7
237.14850	3.0
239.12740	2.4
243.17593	5.1
249.14931	3.8
251.12852	3.0
253.14436	100.0
254.14758	8.1
287.16507	26.9
305.17578	14.7
323.18478	5.0
330.56818	2.2
341.19681	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.1
57.03326	3.5
59.01041	1.5
59.01261	16.3
62.24926	1.5
69.03338	2.9
70.42319	5.3
71.01252	12.6
71.04896	19.3
73.02850	1.9
81.03335	47.1
83.04900	36.8
85.02830	3.1
89.02312	8.8
93.03345	27.3
95.01277	3.0
95.04899	5.5
97.02844	3.8
97.06452	2.5
98.03598	2.6
101.02319	3.5
107.04927	3.9
108.02058	2.1
109.02848	4.4
109.06458	10.7
110.03577	1.9
111.04410	83.1
112.04707	3.0
113.02328	5.0
115.61332	1.4
119.03328	3.2
121.06506	2.0
122.03632	5.3
123.04416	14.1
123.07112	1.5
123.08046	4.1
125.06029	2.7
125.09614	10.5
127.07531	5.8
127.11172	7.3
133.06508	2.1
139.07555	7.2
141.09128	2.7
151.07555	50.5
152.07927	1.8
169.08617	25.4
171.10188	100.0
172.10516	5.8
179.05511	3.5
179.07030	2.2
195.10381	1.7
201.11258	29.0
203.95959	2.0
213.11272	22.1
251.12808	8.1
287.16617	7.6
305.17572	7.1
323.18509	6.4
341.19635	9.4
342.19965	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71622	1.5
52.31236	1.8
57.03312	5.1
58.00468	3.5
59.01251	59.5
60.82651	1.6
69.03314	4.3
70.87868	4.9
71.01259	44.2
71.04900	6.3
71.13404	1.6
72.99157	3.1
73.02808	4.7
79.95660	1.6
81.03330	5.7
83.01308	1.6
83.04893	6.4
84.02032	3.7
85.02818	9.6
87.04402	2.5
89.02318	48.8
93.03333	5.0
95.01279	2.6
95.04901	8.1
97.02826	2.4
97.06466	7.0
99.04375	5.1
101.02322	18.6
101.05939	2.0
107.04927	3.2
109.02866	1.7
109.06455	5.5
111.04404	4.5
111.08064	2.7
113.02356	15.5
119.03406	17.1
119.04858	7.8
121.02828	13.3
123.08031	4.5
125.09595	15.6
127.07523	5.3
127.11176	3.0
131.03394	2.3
135.04445	7.5
135.08009	2.5
137.02309	1.9
137.09637	2.7
138.05482	2.4
139.07541	3.6
141.09116	1.9
143.03375	2.7
143.07013	3.8
147.04459	2.5
149.02368	3.7
151.07516	4.0
151.11151	4.2
153.09158	2.1
159.59750	1.6
161.04431	4.9
161.05923	3.7
163.11220	4.2
165.12741	5.1
169.08572	4.6
169.12277	2.9
171.10184	39.9
173.06029	2.2
179.05524	14.6
181.12274	2.5
183.13556	1.5
185.11789	7.8
191.14235	2.1
193.12274	5.5
194.52383	1.6
195.10165	2.4
197.11761	4.2
199.13513	1.8
201.11246	16.8
209.05896	1.9
209.11778	10.7
211.13316	2.1
211.45844	1.6
213.11243	6.1
215.12819	5.0
221.11761	5.3
223.13321	4.3
225.05620	1.7
225.11246	4.8
225.14969	7.6
227.12903	7.4
235.13324	5.6
239.12851	3.1
241.05132	1.6
243.12172	1.7
247.20485	2.2
251.12837	4.4
253.14442	6.5
265.14316	2.8
273.18646	2.8
279.19666	4.9
287.16470	7.2
291.19620	18.8
292.19855	2.2
305.17508	7.1
305.20703	2.0
309.20648	7.6
311.09265	1.6
323.18430	7.3
324.14343	1.6
337.89554	2.2
341.10626	19.2
341.19614	14.5
341.23297	100.0
342.20065	2.4
342.23544	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	10.5
58.14361	1.6
59.01252	23.5
60.18435	1.3
67.01759	2.8
68.89517	1.4
69.03339	7.4
69.51209	12.5
71.01254	12.7
71.04894	45.3
75.14037	1.5
81.02888	2.5
81.03339	41.5
83.04900	30.2
84.02033	3.0
85.02833	8.3
87.04364	3.3
89.02309	9.7
91.25702	1.6
93.03316	2.7
93.68798	1.7
95.04896	18.8
97.02834	6.6
97.06466	6.4
98.03602	2.0
99.04404	49.7
101.02340	2.5
101.05963	8.3
101.33248	1.5
107.04936	2.5
108.02062	2.4
109.02873	7.2
109.06468	14.6
110.03609	2.0
111.04410	10.2
113.02326	3.8
119.03419	1.7
119.04838	2.0
121.02846	2.8
121.06467	3.4
122.03619	2.6
123.04401	3.8
123.08069	6.3
125.09612	5.4
127.07521	3.4
133.06494	6.0
135.04430	1.8
135.08046	2.8
137.05974	3.0
137.09628	3.0
139.07544	2.0
149.09552	2.2
151.07545	21.9
152.07942	2.0
153.09105	6.0
155.10690	4.4
161.04427	1.6
161.06004	1.8
165.05470	1.9
165.09140	4.2
165.12769	3.2
171.10184	58.8
172.10577	2.2
175.11212	2.2
177.12697	1.9
179.05467	2.3
185.11768	4.3
189.12769	5.2
191.14311	8.3
193.12260	24.2
199.13295	4.2
201.11285	6.0
205.16034	1.8
207.13924	4.5
209.11774	6.8
209.15469	2.3
211.13330	5.9
213.11264	3.7
217.12225	1.7
221.11795	5.9
225.14960	2.3
227.12901	1.6
233.11786	3.1
235.09700	3.5
235.13376	55.6
236.13782	3.1
239.12802	8.1
243.17616	8.1
249.14931	4.5
251.12862	4.0
253.14436	100.0
254.14778	6.8
265.14304	1.9
287.16541	35.3
288.16873	3.3
305.17572	21.4
323.18652	9.4
341.10367	4.2
341.14172	2.0
341.19595	19.6
341.23325	4.1
341.26901	2.3
342.20331	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1395
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
57.03306	1.4
58.00455	1.1
59.01254	16.0
63.02270	3.2
69.03329	1.2
71.01261	12.1
79.05408	3.9
84.02030	3.4
84.22887	1.0
85.02826	2.4
89.02324	13.9
91.01794	1.4
93.03339	10.8
95.01286	1.3
97.02821	2.2
97.06474	3.3
101.02320	6.8
102.05479	2.4
105.03348	12.9
105.06957	1.5
107.01279	1.7
107.04902	1.9
108.02098	5.0
108.80229	1.2
109.02843	6.9
109.06515	1.6
109.99738	1.1
113.02332	4.5
119.03403	4.6
119.04910	3.2
120.05276	1.6
121.02849	8.1
121.06501	7.9
122.03636	4.6
123.04420	24.7
123.08035	1.0
126.95988	1.0
131.08560	2.2
131.41493	0.9
134.03680	1.2
135.04413	4.0
135.08043	1.6
147.04413	4.7
149.02357	11.0
149.04391	1.2
149.05855	1.0
150.03136	18.4
157.06538	6.8
159.04530	2.0
159.08031	1.4
161.02399	1.2
161.04463	1.2
161.09709	1.6
163.00281	14.6
163.03922	4.3
164.04730	3.1
165.05498	100.0
166.05838	5.0
167.03401	6.8
171.10222	13.2
172.05287	1.4
173.04306	1.0
173.09583	3.1
175.07568	7.9
177.05518	3.5
177.09158	12.0
179.05577	5.2
182.02174	8.9
183.01160	1.5
193.12320	2.1
199.03848	1.4
199.07625	2.1
200.04703	5.9
201.05473	3.3
202.06128	1.0
203.07025	2.5
205.08658	63.0
206.08955	3.6
213.05392	1.0
213.09131	2.0
214.56239	1.0
217.08659	79.0
218.08916	5.3
221.08093	2.9
224.04723	2.8
225.05553	1.3
225.14931	2.9
227.03522	2.7
227.10782	5.3
228.04227	2.5
229.12192	1.6
235.09721	58.7
236.10013	3.4
253.12383	2.3
255.10237	14.9
269.11890	4.1
271.09720	2.5
279.10242	4.1
291.19659	1.4
291.22784	1.2
297.11353	21.1
306.45682	1.0
313.10785	1.1
323.09430	1.3
323.12817	3.0
341.10242	26.5
341.13940	80.1
341.17703	2.7
341.18359	3.1
341.23233	27.4
342.10645	2.6
342.14240	7.7
342.23709	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08947	0.4
55.01751	0.7
59.01252	3.8
59.05803	0.4
65.03831	2.6
67.01756	0.8
69.31576	0.5
69.59469	0.4
71.01261	3.1
71.06933	0.6
71.07268	0.9
73.10976	0.4
73.86700	0.4
79.05406	1.3
85.02830	0.6
89.02327	2.9
91.05412	11.9
93.03345	4.6
95.04927	0.8
101.02349	0.9
105.06979	9.4
106.07311	0.6
107.04918	3.3
109.02834	7.6
113.02328	0.5
117.07006	0.9
119.03387	1.0
119.04935	1.0
121.02850	22.5
122.03161	0.5
123.04413	8.0
125.09610	0.8
135.04417	100.0
136.04796	3.5
143.26656	0.5
144.31631	0.4
147.04424	13.7
148.05141	1.0
149.05989	32.7
150.06328	1.4
155.08485	0.5
160.05202	0.8
161.05994	7.2
166.02576	0.7
171.10194	1.4
175.07567	8.6
179.05556	1.0
183.08083	0.9
185.05986	1.2
185.11740	0.7
186.06779	0.6
187.07608	1.8
193.08638	10.5
201.09161	29.2
202.09505	2.2
205.08655	30.3
206.09023	1.7
213.09309	0.9
213.11270	0.8
219.10236	27.0
220.10574	1.4
220.68427	0.5
231.10246	5.8
271.06128	0.7
274.90491	0.5
323.18515	0.5
341.10327	1.1
341.13974	7.2
341.19653	0.9
341.23325	2.0
342.14322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27839	0.7
57.03312	2.1
58.00460	0.8
59.01248	13.8
63.50772	0.6
65.03810	0.7
68.31963	0.7
69.03323	1.5
69.26612	0.6
71.01251	11.8
71.04900	1.1
73.02834	1.2
79.05393	4.3
80.92430	0.6
81.03346	2.1
83.04886	3.1
85.02824	2.0
87.00749	0.8
89.02315	12.6
91.05405	0.9
91.47797	0.6
93.03339	8.0
95.04907	2.4
97.02794	0.9
97.06470	1.7
101.02335	3.5
103.44045	0.7
105.03337	10.3
105.06954	1.2
107.04904	2.9
109.02827	1.7
109.06465	3.1
111.04398	0.8
113.02314	3.5
119.03426	3.3
119.04899	5.8
120.61738	0.7
120.85684	0.7
121.02841	2.4
121.05680	1.1
121.06492	6.9
122.03654	3.7
123.04413	23.3
123.08053	1.0
125.09606	3.1
127.11182	0.8
129.06978	0.8
131.08571	2.2
133.79672	0.8
135.04442	3.3
136.05235	1.5
143.03407	1.5
147.04420	3.4
149.02350	7.8
150.03127	6.3
155.10683	1.2
157.06471	6.6
161.04491	1.3
163.03938	2.5
164.04730	3.5
165.05484	100.0
166.05846	4.6
167.03430	7.1
167.10703	1.0
171.08029	1.2
171.10179	8.7
173.06053	0.7
173.09619	1.5
175.07550	5.6
177.05510	1.3
179.05531	3.4
183.10260	0.7
185.11710	4.2
193.08653	0.9
196.05409	0.7
197.11787	1.5
199.03914	1.6
199.07657	3.8
201.05478	3.8
201.11217	4.2
202.06299	0.9
209.11768	3.6
213.11282	3.3
215.12793	1.4
217.08649	75.0
218.08978	5.1
218.44499	0.8
225.05540	1.9
227.07166	0.8
227.12846	1.9
233.08116	1.1
235.09714	47.9
236.10074	3.6
241.05045	2.6
243.06625	1.0
244.06981	0.8
247.09712	1.2
251.13087	0.8
253.05017	4.6
255.06578	0.8
256.03754	1.0
263.16455	0.9
265.14435	1.6
269.04596	4.2
271.06158	3.8
271.09521	1.5
280.03738	10.1
281.08322	1.0
283.06250	0.8
287.16501	1.4
295.09662	3.3
297.11267	0.8
305.17459	2.4
323.09277	26.4
323.12827	3.9
323.18561	2.8
324.09628	2.6
341.10367	9.3
341.13953	79.3
341.19589	9.2
341.23340	9.6
342.10696	1.1
342.14261	7.2
342.20099	1.0
342.23837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Phaseollidin hydrate
Peak:m/z	Relative Intensity
59.01250	13.5
65.03842	4.1
65.53185	0.7
67.01797	1.6
69.23801	7.2
69.24210	1.4
71.01254	9.8
84.02030	1.2
85.02822	1.1
87.92225	0.6
89.02318	11.6
93.03345	1.2
95.01248	1.0
97.06461	0.8
101.02324	4.5
103.76698	0.8
107.04942	0.9
108.02056	10.0
109.02838	44.8
109.06477	5.3
110.03192	1.4
113.02343	4.5
119.03419	4.4
121.02841	45.5
122.03659	9.4
125.02253	0.7
125.09621	0.6
131.03452	0.7
133.10135	1.5
135.04446	1.8
135.22327	0.7
136.05226	4.7
143.03461	0.8
150.03105	1.4
161.04477	1.0
163.03914	37.1
164.04701	21.7
165.05014	1.0
171.10187	4.8
175.03896	7.0
175.11224	1.9
176.04688	1.9
177.09123	61.5
178.09488	2.1
179.05525	4.2
183.71458	0.6
193.12231	0.9
196.03729	2.1
201.09117	1.1
201.11209	1.0
203.07109	1.7
204.85400	0.7
218.61235	0.7
219.10213	100.0
220.10504	6.6
225.14801	1.1
231.10217	18.5
232.10576	1.6
252.82916	0.8
291.19595	2.1
336.65356	0.8
341.10556	2.4
341.13937	15.8
341.23306	9.8
342.14252	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69429	0.3
55.01773	0.4
57.03316	0.5
58.00471	0.7
59.01252	61.4
68.01289	2.5
69.03316	1.2
69.64249	0.4
71.01255	29.3
72.99191	1.7
73.02821	36.2
74.03170	0.8
75.00780	0.6
78.95800	0.4
82.85188	0.3
83.01259	11.3
85.02841	2.3
87.00764	0.9
87.75481	0.3
89.02321	8.9
90.49862	0.3
95.01270	0.7
95.78329	0.4
96.04452	0.5
97.02845	0.5
99.00757	0.7
101.02324	23.7
107.04935	1.2
113.02339	7.0
118.98016	0.9
119.03449	3.1
119.04913	8.9
122.02396	1.5
123.03150	7.4
124.01428	0.4
124.07594	0.4
125.02361	1.2
131.03406	1.6
135.04446	1.3
136.07584	0.6
137.04854	0.6
137.05992	1.8
138.05508	100.0
143.03413	1.6
149.04472	0.8
152.07079	1.3
155.03413	0.8
161.04497	3.2
167.05804	0.7
168.06566	0.5
173.04539	0.4
179.03389	0.6
179.05557	1.4
179.07008	0.6
179.10735	1.1
180.06567	5.8
216.67603	0.4
222.07722	0.4
230.06462	0.6
255.06581	0.7
282.09796	1.0
299.11542	0.5
300.10910	2.4
341.11530	1.5
342.11932	5.8
349.87817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26365	0.4
54.98461	0.4
55.01767	0.8
55.70359	0.4
58.00476	1.2
59.01252	60.6
61.68613	0.5
61.94284	0.5
68.01295	2.1
69.03320	0.9
71.01255	23.3
72.99201	0.9
73.02821	39.4
74.03160	1.0
75.00749	0.6
81.03352	0.7
83.01260	9.2
85.02819	2.4
86.51923	0.4
89.02325	6.0
94.06551	0.4
95.01285	0.6
99.00740	0.9
101.02324	25.8
107.04892	0.9
113.02335	5.8
118.97987	1.1
119.03399	1.7
119.04916	10.3
122.02366	1.2
123.03145	6.9
124.07529	0.7
125.02325	1.4
131.03397	1.6
135.04445	0.6
136.07593	0.5
137.05965	1.6
138.05507	100.0
141.22427	0.5
143.03400	1.7
149.04492	1.1
152.07066	1.0
155.03383	1.1
161.04498	2.7
167.05769	1.6
180.06578	5.4
222.07591	0.8
229.98070	0.7
282.09781	0.8
299.11346	0.6
300.10892	2.6
341.12183	1.3
342.11938	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03315	5.3
58.00447	1.6
59.01252	100.0
61.34179	1.9
65.00189	8.1
66.80277	1.6
69.92632	4.7
69.93050	5.6
71.01253	62.9
72.97398	2.0
72.99178	2.6
73.02827	25.1
75.00732	3.3
83.01250	7.9
85.02827	14.1
87.00746	3.2
89.02323	43.8
93.03352	5.5
95.01266	5.6
96.96849	2.8
99.00730	1.8
101.02325	38.2
107.01263	10.3
109.02879	11.2
113.02326	28.8
115.32735	1.7
118.98032	1.8
119.03406	12.5
119.04919	26.2
121.01958	2.6
121.02846	47.2
122.03191	2.3
123.03106	2.0
125.02328	1.9
128.78470	1.8
131.01308	3.0
131.03387	3.2
134.03606	5.2
135.04417	63.1
137.02345	48.8
137.05969	3.0
138.05519	21.6
143.03375	3.6
149.04495	1.9
151.00279	45.6
152.00578	2.7
161.04457	4.8
175.00278	18.0
176.00592	1.9
178.99791	4.5
179.03410	54.9
179.05495	17.8
179.07047	42.6
180.03833	2.6
193.01329	2.3
205.01447	2.4
281.10397	9.4
299.11542	3.1
313.05820	4.2
324.72098	1.9
341.05048	2.8
341.08545	2.8
341.11096	5.7
342.22910	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03320	2.2
58.00468	2.2
59.01250	100.0
60.01586	1.2
69.03315	1.7
69.44950	6.4
71.01254	60.8
72.99174	3.2
73.02822	34.7
74.98956	1.1
75.00743	1.2
78.95779	38.6
83.01258	9.4
85.02820	17.0
87.00747	3.3
89.02314	27.8
93.03362	1.3
95.01244	3.9
96.96844	12.1
97.02823	1.4
99.00753	2.0
101.02321	32.6
101.89087	0.7
105.01836	1.3
107.01245	0.7
107.04902	2.7
113.02327	31.4
118.97954	2.7
119.03447	9.6
119.04913	26.1
121.02753	1.0
123.03119	1.0
125.02354	1.1
128.77373	0.8
131.03389	2.0
134.03633	9.3
135.04419	34.3
136.04788	1.0
137.02361	1.6
137.05972	2.5
138.05501	13.5
143.03424	3.9
146.08212	0.8
149.04434	1.4
155.03378	0.8
161.02344	1.1
161.04460	4.4
165.03937	4.3
179.03442	2.2
179.05571	4.5
179.06908	1.8
191.05536	1.2
193.05048	6.2
243.69887	0.8
249.03815	0.7
281.10370	7.7
282.09781	2.6
299.11328	3.2
300.11118	1.1
341.10275	1.7
341.14056	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
57.03308	1.6
58.00462	3.2
59.01250	100.0
67.33554	1.0
70.60220	1.1
70.90105	3.8
70.90544	1.5
71.01253	69.5
72.99169	3.4
83.01279	1.8
85.02834	8.5
86.50305	1.2
87.00745	5.1
89.02316	80.7
95.01250	3.5
99.00763	1.8
99.93936	1.2
101.02316	28.3
113.02335	22.9
119.03389	28.5
131.03397	4.9
135.04422	2.4
143.03410	7.4
149.04410	2.8
161.04492	8.0
167.03358	1.7
179.04073	2.3
179.05525	25.9
213.65500	1.4
264.92242	1.4
341.06812	1.6
341.10910	24.7
342.11270	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1022
Annotation	Piperphilippinin II
Peak:m/z	Relative Intensity
51.92338	0.7
57.03313	1.6
59.01252	9.6
63.02267	3.5
65.03819	1.7
65.62333	0.8
68.80155	0.6
69.03320	0.9
71.01249	5.1
83.04897	1.1
84.02027	2.2
85.02836	1.0
87.78314	0.8
89.02322	8.2
91.05360	0.9
93.03320	2.0
95.01295	0.8
97.02832	1.1
97.06468	1.2
101.02325	2.7
102.05479	2.2
103.59425	0.7
105.03341	1.4
107.01266	2.6
108.02058	4.9
109.02852	11.6
109.06493	1.1
113.02335	3.0
119.01263	1.5
119.03406	2.0
119.08594	0.7
121.02824	7.1
121.06410	1.1
122.03603	1.3
123.04391	2.7
131.86438	0.8
133.02800	0.8
134.03659	2.1
135.04424	4.7
135.08052	1.4
137.02296	1.1
137.09601	0.8
147.04411	1.3
149.02312	2.0
150.03130	18.2
153.01797	0.8
157.06470	1.2
158.03630	2.1
159.04477	0.9
159.08034	2.5
161.02324	1.2
161.09642	1.1
163.00293	21.8
165.05482	10.3
171.04425	1.3
171.10176	8.2
172.05180	1.9
174.03206	1.0
175.07527	3.5
177.09123	14.3
179.05544	1.9
182.02167	9.6
183.01115	1.4
183.04480	1.2
184.05215	2.3
187.07550	1.4
190.06212	1.8
193.12253	1.3
197.05984	1.5
198.06857	1.8
199.03899	2.2
200.04732	9.7
203.07095	3.9
205.08640	100.0
206.08989	5.2
209.09744	0.9
211.03969	1.4
211.13243	0.8
212.08290	0.9
213.05589	1.2
213.09114	2.2
214.06200	1.1
217.08667	8.6
219.10175	1.1
221.08141	3.1
224.04755	3.8
225.05492	0.8
225.12831	0.9
225.14891	2.0
227.03416	6.7
227.10675	8.1
228.04213	5.9
229.12331	3.7
235.09630	5.3
239.16444	0.9
240.07863	1.0
241.04935	1.0
251.10654	1.2
253.05028	1.5
253.08704	0.9
253.12402	3.7
255.07552	1.2
255.10243	21.6
259.09705	1.6
264.07883	1.2
269.11835	3.8
279.10263	6.5
296.09598	0.7
297.11316	35.4
298.11804	3.7
313.10672	1.6
323.09235	1.6
341.10315	41.0
341.13959	7.0
341.23331	14.0
341.27081	1.0
342.10666	4.8
342.14435	1.4
342.23816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.0
65.03831	6.0
67.01749	2.7
69.83422	3.8
71.01252	9.0
80.53249	0.6
81.03336	1.0
83.04893	0.6
84.02048	6.1
84.20407	0.5
85.02829	1.1
87.28367	0.6
88.75314	0.6
89.02328	8.0
91.01772	1.5
93.03328	5.9
95.01253	0.7
97.02822	3.2
97.06470	1.7
99.04395	1.1
101.02308	4.6
107.04900	0.8
109.01222	0.7
109.02841	17.0
109.06478	0.7
110.03172	1.1
113.02335	3.6
119.03404	2.7
119.04885	0.7
119.08536	1.1
121.18278	0.7
122.42260	0.5
125.09649	1.9
131.08598	1.0
135.00787	3.4
135.04448	1.6
137.02345	100.0
137.09592	1.5
138.02713	3.8
143.03349	0.8
153.01854	2.5
158.03568	0.6
159.04428	1.8
161.04347	0.8
171.10182	23.4
172.10590	0.7
175.07613	1.1
179.05508	2.4
187.03935	1.2
193.12219	2.9
201.11397	0.6
211.13344	1.3
214.06293	1.2
224.63113	0.6
225.14888	3.7
227.03468	2.1
228.04213	3.2
231.06577	4.0
243.16010	1.6
253.12285	1.9
255.10277	1.1
269.11826	2.6
279.10172	1.5
291.19672	1.3
297.11276	12.5
298.11575	1.2
341.10275	7.7
341.23315	46.0
342.10370	0.7
342.23709	2.6
351.28494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1017
Annotation	UWM6
Peak:m/z	Relative Intensity
50.37165	0.3
55.01755	0.5
57.03312	0.6
58.00443	0.7
59.01256	13.0
65.03841	0.3
69.03328	0.6
71.01260	10.6
71.58481	0.3
71.58911	0.4
72.99180	0.7
75.22562	0.3
81.03339	0.4
83.01279	0.3
85.02817	2.7
87.00743	0.8
89.02322	10.7
90.02699	0.3
93.03324	0.6
95.01272	0.4
95.88319	0.3
97.06464	0.4
101.02325	4.9
101.17078	0.3
107.04939	0.3
113.02343	3.5
116.85603	0.3
119.03400	4.2
121.02882	0.5
123.07983	0.4
123.51157	0.3
125.09616	0.5
127.20844	0.3
131.03372	0.3
134.51448	0.2
135.04440	0.9
137.02377	0.3
137.09613	0.5
141.09131	0.4
143.03404	1.0
149.04492	0.3
157.02875	0.7
158.38640	0.3
161.04439	1.2
167.04948	0.5
171.04428	3.5
171.10143	0.8
179.03485	0.3
179.03976	0.3
179.05560	3.4
180.05687	0.3
181.02908	0.8
181.06563	0.3
183.08083	0.5
185.05913	0.3
187.03853	0.4
193.06471	0.8
195.04448	1.7
195.10196	0.3
196.05241	5.1
197.05907	0.8
198.03137	0.9
199.03940	2.5
201.11243	0.3
209.06110	2.0
209.11743	0.4
210.06833	2.6
211.03990	0.7
211.07512	1.3
212.04707	1.5
213.03714	0.4
213.05463	2.3
213.11221	0.5
219.56944	0.3
220.05206	0.4
221.06020	4.7
222.06554	0.6
223.03958	4.5
225.05621	0.6
226.06247	0.6
227.03438	1.0
230.73051	0.3
236.04881	0.3
238.06155	0.4
239.07072	2.5
240.04230	6.2
241.05009	5.8
242.05263	0.3
249.86317	0.3
254.05824	3.0
255.06496	1.3
260.16653	0.3
261.09250	2.4
263.07147	0.6
264.08041	0.3
265.05081	11.2
266.05597	0.6
269.04547	0.4
279.10123	0.7
280.03763	0.5
281.08167	1.8
283.06140	17.1
284.06512	1.3
299.09222	1.3
305.17612	0.8
323.09274	7.0
324.09604	1.0
341.10315	100.0
342.10638	9.2
342.19702	0.3
362.52118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.90284	0.6
54.19892	0.5
59.01250	10.2
69.95978	3.5
71.01255	9.0
72.99181	0.9
80.14046	0.5
85.02833	0.8
89.02318	7.8
93.03332	1.1
101.02335	3.7
107.04929	1.2
113.02307	2.9
113.36936	0.7
119.03379	2.5
134.03629	2.8
135.04419	100.0
136.04761	3.4
137.02341	2.7
148.25989	0.7
161.02374	0.7
177.01872	1.4
178.02245	0.8
179.02188	1.4
179.03477	1.8
179.05582	1.7
209.07301	0.7
234.33705	0.6
260.57382	0.6
341.10953	2.2
358.36902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.29850	0.4
57.03318	1.4
59.01250	10.0
61.15719	0.4
65.00191	1.2
65.03835	3.9
67.01772	2.1
67.99538	0.4
70.01825	2.2
71.01259	8.3
72.99216	0.8
73.02822	0.6
75.00766	0.5
83.01260	1.0
85.02824	1.8
87.00744	0.6
89.02316	8.6
91.05397	1.5
92.92991	0.4
93.03331	5.6
95.01262	0.9
101.02328	3.8
107.01272	1.9
107.04885	3.0
109.02839	13.7
113.02334	3.1
119.03375	2.8
119.04900	0.8
121.02852	1.4
122.03619	0.5
123.04385	0.8
131.01244	0.5
133.02802	1.0
134.03632	2.4
135.04414	100.0
136.04759	3.0
137.02342	76.7
138.02678	3.0
138.05522	1.6
143.03391	0.8
149.02345	0.6
151.00258	5.3
151.03909	1.6
153.01810	1.2
161.02327	1.0
161.04495	1.0
163.03853	0.7
165.04037	0.5
175.00334	1.6
178.99799	1.9
179.03430	13.8
179.05518	2.4
179.07071	3.0
180.03790	0.6
193.05003	0.8
255.19493	0.4
281.80563	0.4
297.10092	0.5
341.08514	8.7
341.23291	0.6
342.09274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
64.70669	0.4
66.58578	0.3
69.25529	2.9
69.25951	1.6
102.98328	0.4
124.17623	0.5
147.08058	0.8
153.12706	0.5
163.11197	100.0
164.11531	5.9
215.01051	0.5
236.07721	0.5
240.96504	0.4
339.23273	37.5
340.23550	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.4
65.90726	0.6
71.01237	2.0
82.64545	0.6
84.49878	0.6
89.02321	1.7
91.81590	0.5
93.03345	1.2
97.02847	0.7
98.20570	1.4
101.02365	0.7
105.03346	21.1
106.03675	9.9
109.02862	0.7
113.02289	0.8
119.04916	77.3
120.05250	51.2
121.02798	0.8
121.05444	1.1
136.01553	1.9
136.10313	0.6
137.01897	1.1
149.02339	9.7
149.03419	1.0
150.02681	6.2
157.06528	3.8
158.06856	5.0
162.03105	1.9
163.03619	2.1
164.04291	1.0
167.03421	12.2
168.03755	8.2
171.10172	4.7
172.10535	2.2
193.08549	1.0
193.12109	1.2
194.02161	1.8
195.02386	1.2
201.05518	3.0
202.05788	3.4
219.06573	6.9
220.06911	11.8
237.07642	2.6
238.08049	4.0
268.06891	1.9
269.08072	3.6
270.08493	10.4
290.18509	1.3
308.19559	0.9
322.11594	7.8
322.20984	2.6
340.12701	100.0
341.13171	7.7
341.23337	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.2
59.01252	2.1
61.51606	0.9
69.03335	1.2
71.04893	36.8
81.03337	2.8
83.04870	1.0
93.03337	1.2
93.06953	1.3
95.04889	1.9
97.06469	2.3
107.04908	1.2
109.02840	1.6
109.06466	3.6
109.56181	0.8
119.04938	6.3
121.02845	2.3
123.08033	2.6
125.05892	0.9
125.09614	3.6
127.11169	2.4
135.04410	1.8
135.08034	2.1
137.02348	3.0
137.05948	1.9
137.09602	1.0
139.11203	1.9
146.90381	0.9
149.05957	1.1
150.85458	0.8
151.07483	1.2
151.11171	3.6
152.08350	1.5
152.99521	0.9
153.09094	2.0
167.06900	1.1
167.10686	5.1
171.10182	100.0
172.10515	3.9
177.12755	1.2
191.14314	1.2
201.05432	1.7
201.11253	1.8
205.12222	0.9
213.11272	1.0
217.08565	1.0
225.14871	2.0
233.15486	3.4
237.14888	1.4
245.19144	1.1
249.14992	4.3
251.16344	0.9
261.15021	2.0
265.18140	1.8
267.06641	1.7
277.18088	1.2
279.15961	2.5
289.18109	3.2
303.15994	2.6
306.18347	3.5
321.17136	4.6
321.20673	43.2
322.21112	4.5
339.08566	2.1
339.12366	3.2
339.17926	2.9
339.21796	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03332	22.6
59.01254	11.0
59.59199	2.8
63.86733	2.8
69.03337	3.2
70.86393	9.2
71.01255	5.4
71.04899	4.2
73.02820	5.9
83.04913	5.0
85.02827	5.3
95.04913	4.5
97.06473	9.0
98.03651	3.0
109.06483	3.7
111.08044	100.0
123.08044	23.7
125.09609	74.9
135.04399	6.4
135.08066	4.6
137.09651	18.5
139.07571	6.2
139.11166	10.4
149.14981	2.8
151.07559	5.6
151.11211	10.1
153.09131	42.3
155.10689	96.8
164.08345	15.4
165.09116	37.6
167.10718	10.3
171.10173	12.0
177.09155	10.6
183.01111	4.3
183.10188	66.0
184.10530	3.0
185.11609	5.0
187.09677	7.0
195.10214	62.1
195.13957	5.8
196.10564	3.0
209.11807	6.0
215.12857	27.1
217.10747	20.1
227.12840	68.5
228.13220	5.8
241.14389	4.8
289.18060	9.1
298.82513	3.3
307.19220	4.7
321.17410	4.5
321.20624	23.4
339.16428	4.8
339.21732	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.1
59.01260	3.6
70.69697	2.4
70.70057	1.1
71.04904	0.8
79.74573	0.8
80.02537	1.8
81.03318	1.8
82.21195	0.8
85.56332	0.8
93.03359	1.0
95.04893	1.9
97.02818	2.4
97.06431	1.1
106.04111	1.0
106.77413	0.8
107.04929	1.3
109.02859	1.1
109.06484	1.3
110.03631	3.0
111.08057	1.4
117.32829	1.0
119.04897	0.8
121.02820	1.1
121.06470	2.7
123.04407	9.3
123.08051	16.4
125.09602	2.1
127.11233	0.9
135.08061	0.9
137.05986	0.9
137.09631	1.8
139.11166	8.8
142.02647	3.7
149.05981	1.9
149.09621	2.6
150.06746	0.9
151.07545	1.3
151.11191	6.2
152.08340	7.4
153.09138	1.0
155.10683	0.9
155.14366	2.8
157.02875	2.5
159.08116	0.9
163.11182	1.1
163.65393	0.7
167.10699	3.2
171.10191	25.4
175.11104	1.0
177.12767	2.8
183.01126	1.4
183.10179	2.5
191.10637	1.0
191.14302	1.6
193.12302	1.6
199.03906	2.0
199.13351	25.6
200.13766	1.6
201.11290	1.0
209.11864	0.7
211.03938	3.0
213.11342	4.1
221.11777	2.3
223.04016	0.9
226.11949	1.2
233.08179	2.0
233.15569	1.5
239.03551	6.3
239.12915	1.4
240.04047	1.6
241.05110	3.4
245.19077	16.6
246.19414	0.9
247.16879	1.5
255.03049	1.0
261.18481	0.9
263.20117	1.5
267.02957	2.4
271.17215	1.8
289.18106	100.0
290.18497	8.5
293.08273	1.4
306.05487	1.2
307.19147	56.4
308.19556	5.3
321.07672	7.1
321.20731	10.4
322.20935	0.9
324.19403	12.1
339.08759	27.9
339.21756	42.7
340.09238	4.1
340.21964	3.2
340.25720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.8
59.01245	4.3
68.69183	1.5
69.03316	3.8
69.24618	16.0
69.25020	3.6
69.57752	1.6
71.04897	34.3
73.02820	2.3
80.02538	1.7
81.03343	18.1
83.01267	2.6
83.04902	4.2
93.03322	2.5
95.04915	16.4
97.02840	2.8
97.06474	9.0
98.19722	2.6
106.91514	1.8
107.04900	2.6
108.02102	2.1
109.02848	3.1
109.06459	3.0
110.03625	6.9
111.04408	18.2
121.02799	3.4
121.06490	4.2
122.03632	4.7
123.04408	4.9
123.08060	18.3
125.06023	2.1
125.09618	54.4
126.09914	1.8
127.11174	3.6
133.06516	8.0
135.04407	2.1
137.05986	5.7
139.07573	3.8
149.06006	7.2
149.09608	2.4
151.07549	29.3
156.25919	1.8
167.07063	31.8
168.07416	2.7
171.10170	22.5
173.04486	5.5
174.06808	4.1
177.05527	2.6
179.10631	2.5
185.11783	2.6
187.09727	5.3
189.06723	1.9
197.11748	6.1
199.09787	4.0
199.13358	4.7
201.11282	8.3
205.12289	2.8
207.19904	1.8
209.11797	6.8
211.13351	2.2
213.11270	11.4
215.12849	100.0
216.13278	3.1
219.10291	2.1
223.13467	1.8
225.11316	2.3
237.11288	3.0
247.13582	2.4
249.11212	12.3
250.11899	3.0
265.14484	14.2
277.18091	3.0
281.75256	1.8
285.14957	36.2
286.15408	1.9
295.19022	2.3
303.16013	70.9
304.16348	8.1
321.17059	36.4
322.17551	3.4
339.18115	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69172	4.3
55.54314	4.2
57.03317	5.6
59.01233	9.9
67.01742	4.7
69.03328	13.1
69.31953	30.1
69.32378	18.5
71.04890	16.9
81.03333	54.2
83.04913	27.7
85.02812	14.4
87.69170	5.7
92.92114	4.6
93.69644	4.2
95.01232	9.9
95.04905	16.3
97.02833	17.0
97.06468	7.5
98.20509	8.9
99.04400	100.0
99.65875	4.7
106.04164	6.8
107.04888	4.8
108.02045	18.0
109.02844	22.9
109.06461	9.0
111.04395	19.7
116.78720	4.6
119.04899	5.7
121.02853	22.3
121.06438	8.3
122.03597	18.1
123.04420	9.3
123.08012	5.1
124.01436	5.0
125.09600	17.1
127.03904	6.1
133.06516	8.5
135.04472	8.7
137.05980	25.2
149.05991	25.5
150.06468	4.9
151.07576	7.5
153.09149	5.5
160.05154	4.9
167.07042	14.4
169.08464	4.5
171.10191	80.9
177.12730	8.5
178.06242	22.7
185.11914	5.8
191.14294	8.2
193.12326	22.1
194.39514	4.6
195.13789	5.3
199.13309	12.7
199.18912	4.6
205.12305	11.1
207.13841	6.0
209.11737	6.6
211.13307	8.6
215.12805	10.3
221.11757	8.5
235.13380	59.7
247.13402	11.2
249.11246	8.7
250.12039	15.6
253.14441	88.8
254.14647	6.1
259.16800	4.7
261.14862	5.5
265.14346	7.6
285.14957	14.5
303.15970	37.2
321.17084	50.6
339.08792	5.5
339.18057	11.1
361.97382	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	9.0
57.43316	4.9
59.01257	12.1
69.03320	8.5
70.61161	5.7
71.01242	5.9
71.04901	23.0
71.28505	7.5
71.28827	5.5
73.02834	6.1
78.85742	5.3
80.02507	6.5
81.03342	25.7
83.01246	7.6
83.04903	23.4
91.05427	17.8
93.03344	13.8
95.01328	5.9
95.04906	21.3
97.02832	16.1
97.06466	15.8
97.82864	5.1
99.04401	55.5
108.02052	16.8
109.02850	24.1
109.06499	15.9
111.04423	22.8
111.27595	5.4
112.87482	5.1
117.37540	5.1
119.04903	28.5
121.02839	34.1
121.06503	13.9
122.03642	16.2
123.04414	13.8
123.08074	13.2
125.09605	63.9
133.06479	5.5
134.03636	5.7
135.04417	100.0
137.05971	21.0
147.04457	15.8
149.02272	6.6
149.05992	21.0
151.07549	11.8
155.10713	8.3
159.04399	6.2
167.07039	31.0
171.10178	60.0
172.10620	6.7
173.04509	9.7
174.03156	16.7
177.12793	13.5
178.06281	9.1
185.11761	11.0
187.09705	31.2
191.07140	5.9
193.12218	7.9
195.13799	5.4
197.11766	6.1
199.13330	5.7
201.11220	28.2
203.06992	27.8
209.11809	9.8
211.13316	8.4
215.12912	5.0
217.08656	37.9
221.11804	15.4
223.13391	6.1
225.11148	7.8
229.08769	9.8
235.13448	16.1
239.12874	6.0
249.11134	12.0
250.11935	6.5
253.14471	29.5
265.14484	13.5
277.18033	18.4
281.04483	10.6
285.15021	15.0
295.19107	13.0
303.16046	60.4
321.11441	13.5
321.17084	55.1
335.97043	5.9
339.08759	12.4
339.12451	40.0
339.18121	11.0
363.96045	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36206	0.4
65.03823	2.2
67.01752	0.6
69.40297	3.7
69.40718	1.2
72.63112	0.5
77.95538	0.6
91.05405	14.0
93.03350	2.9
106.17717	0.5
109.02830	12.7
110.03116	0.5
120.69897	0.5
121.02837	11.8
121.73416	0.5
130.97052	0.5
135.04416	100.0
136.04753	3.3
147.04411	7.8
159.04408	4.6
191.10744	1.3
202.09966	0.7
217.12300	18.7
218.12695	1.4
339.15961	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
59.07205	0.3
65.03828	0.3
70.98266	0.2
71.04901	0.4
71.13192	0.4
91.05401	0.9
93.03336	9.1
94.70374	0.2
97.06462	1.4
108.02006	0.2
109.02861	0.3
109.06471	0.3
111.04397	0.2
117.30907	0.3
119.04918	100.0
120.05255	3.5
121.02797	0.6
122.03629	0.5
123.08067	1.0
125.09610	0.5
135.04425	4.4
135.08125	0.5
137.05975	0.9
137.09555	0.2
147.04422	3.2
147.51755	0.2
153.09021	0.3
155.10655	1.1
161.02357	3.5
162.43233	0.2
163.11183	0.6
169.12238	0.3
171.10167	2.5
174.81595	0.2
177.09137	2.4
183.01160	0.9
185.11903	0.3
191.07068	0.4
191.10756	0.3
193.12173	0.4
199.13530	0.2
201.11252	0.5
203.07112	0.3
207.10249	0.3
209.11815	0.7
213.11327	0.3
217.10718	2.0
221.08212	0.4
225.03204	0.2
237.86623	0.2
244.57463	0.2
289.18146	0.8
299.60983	0.2
307.19232	0.8
321.11459	0.5
321.20673	0.5
339.08749	0.7
339.12439	0.2
339.15976	5.0
339.22021	1.8
339.25604	0.4
340.16513	0.4
364.06116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96652	0.2
57.83482	0.2
58.23405	0.2
59.01248	0.9
60.69320	0.2
65.00198	0.3
65.03833	2.1
67.01760	0.5
70.22600	0.2
91.05410	15.4
92.05750	0.4
93.03337	3.2
98.19792	0.3
103.71977	0.2
107.04907	0.5
109.02839	12.5
109.06450	0.3
110.03131	0.3
112.38642	0.2
119.04910	3.0
120.05268	0.3
121.02843	10.4
121.79527	0.2
123.04428	0.2
125.00999	0.2
125.09582	0.3
130.13887	0.2
133.06491	0.8
134.03650	0.2
135.04416	100.0
136.04758	3.7
147.04417	8.0
147.05592	0.4
153.17331	0.2
159.04420	4.5
162.06819	0.2
162.41660	0.2
171.10170	0.6
175.07703	0.3
183.01111	1.0
187.07648	0.5
191.10695	1.3
201.09164	0.3
202.09970	1.5
217.12288	18.2
218.12683	0.9
219.06708	1.0
233.08105	0.2
289.18082	0.4
307.19089	0.2
339.12302	2.3
339.16147	5.3
339.21722	0.5
340.12668	0.3
340.16446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26869	1.5
53.81466	1.3
57.03313	4.3
59.01248	9.6
65.03828	4.5
66.39445	1.5
67.01756	2.8
71.01229	1.6
71.04888	10.4
71.49871	2.0
73.02825	2.3
79.05431	1.7
81.03335	5.8
83.04882	3.9
85.02818	2.7
91.01767	2.8
93.03348	7.3
95.04902	3.6
97.02823	3.3
97.06486	8.4
99.04373	7.1
107.04922	1.4
108.02017	2.0
109.02844	12.0
109.06480	4.6
111.04389	2.1
111.08068	2.8
114.47604	1.6
119.08485	1.7
121.02821	3.7
121.06473	4.1
123.04450	1.8
123.08044	5.6
125.05933	3.7
125.09620	20.6
127.11141	1.8
130.58269	1.6
133.02850	5.1
135.00774	2.7
135.04427	6.4
135.08070	2.4
137.02351	41.8
137.05983	3.7
137.09583	5.0
138.02673	2.1
139.11165	3.7
141.09158	1.6
149.05972	3.7
149.09596	1.9
151.07584	3.9
153.01799	2.5
153.07043	1.6
155.06975	1.7
157.06480	4.8
161.02280	2.2
163.05275	1.7
167.07054	5.8
167.10686	4.3
169.06544	1.6
169.08583	1.8
171.10175	19.4
177.01880	3.5
185.11786	7.8
186.85956	1.5
187.09657	2.6
191.05598	8.5
193.06569	1.8
195.04401	1.9
196.05182	2.9
197.06021	3.4
199.03772	1.9
199.13335	3.0
201.05505	29.4
201.11278	3.9
203.10600	3.7
205.06477	3.0
207.04523	9.2
209.06027	2.8
209.11765	2.4
221.06064	14.3
222.06697	4.7
224.04745	4.4
225.05531	4.4
225.11284	2.1
227.03548	2.9
235.13443	1.9
237.05534	4.5
238.06326	2.2
241.04958	3.5
249.15178	1.8
253.05028	14.0
261.14938	4.5
263.12881	2.2
265.05057	65.3
266.05765	25.4
266.15295	2.2
267.06549	7.2
267.10330	1.6
269.04602	28.2
270.04944	2.3
275.16754	1.6
277.18094	3.9
279.16080	2.2
281.04572	14.0
281.08197	16.8
281.17557	2.3
285.14935	2.4
289.18155	4.2
295.09781	5.0
303.16028	6.5
303.19434	2.5
307.09467	2.2
309.07736	4.7
321.17007	11.8
321.20749	10.2
323.09149	3.3
324.10031	50.9
325.10321	7.9
339.08649	11.1
339.12363	100.0
339.17584	3.8
339.21713	17.8
339.25488	2.1
340.09103	2.4
340.12619	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10818	0.5
62.45869	0.6
69.95727	2.7
72.48818	0.5
93.03359	0.6
94.06306	0.5
103.76971	0.5
105.03348	24.8
106.03677	0.9
119.04920	100.0
120.05219	3.9
121.02848	1.3
122.03600	1.0
123.04422	0.7
133.07919	0.6
136.01569	2.9
145.02867	0.8
149.02350	14.6
150.02676	0.7
151.11258	0.5
152.08357	0.7
157.06500	5.8
158.06783	0.6
162.03134	2.4
163.03871	1.3
167.03423	15.2
171.10208	2.2
173.65784	0.6
175.07619	0.7
187.72797	0.6
194.02129	2.4
201.05548	4.1
203.84006	0.5
219.06587	16.7
220.06908	1.5
227.07124	0.6
237.07652	4.5
238.07997	0.6
267.06613	2.3
268.07440	1.8
269.08185	9.4
289.18152	2.2
307.19101	1.2
310.94751	0.6
321.11322	6.4
321.20715	1.4
322.11658	0.8
325.31586	0.5
339.12375	75.5
339.21097	1.5
340.12695	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1235
Annotation	Arugosin I
Peak:m/z	Relative Intensity
50.16823	0.2
59.01243	0.7
71.01290	0.4
83.82719	0.2
91.01730	0.4
91.05405	0.3
107.04941	0.9
115.43231	0.2
119.04910	1.2
125.09624	0.5
128.83685	0.3
134.03615	2.0
135.04416	100.0
136.04753	3.4
142.77071	0.3
143.04948	0.3
144.05728	0.4
157.06499	2.1
159.08076	3.9
161.02374	2.0
163.11212	0.3
171.10207	0.7
175.07576	0.6
177.09164	1.3
185.06105	0.3
187.09755	0.3
201.05434	0.5
203.07077	6.7
204.07484	0.4
209.11768	0.3
221.08142	26.5
222.08542	1.4
270.05258	0.3
289.18082	0.7
303.16135	0.3
307.18927	0.3
321.11252	1.4
321.20755	0.3
339.12363	23.2
339.20093	1.1
340.12646	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00010	0.3
65.03849	3.6
71.06767	1.0
89.03848	0.8
91.01868	0.4
91.05411	22.8
92.05756	0.8
93.03341	4.3
94.04124	0.4
107.04902	0.5
108.02052	4.0
109.02834	3.8
109.06482	4.7
117.03355	1.4
121.02846	8.5
122.03635	10.6
123.04389	1.2
133.02855	9.3
133.10129	1.3
135.04422	84.0
136.04771	3.0
143.04961	0.6
155.10695	0.9
157.06520	1.7
159.08086	3.6
161.02359	100.0
162.02707	4.3
171.10201	0.6
175.07578	0.5
177.09135	72.6
178.09488	3.8
203.07069	6.0
209.06084	0.4
217.10747	2.7
221.08156	7.7
229.08731	0.7
238.06319	1.0
265.04904	0.7
266.05811	0.6
277.04956	1.3
321.07458	0.6
321.11304	12.6
322.11588	1.0
339.12360	8.5
340.12613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.9
71.04897	3.0
71.07288	1.6
80.28028	0.6
83.04931	0.8
93.03346	0.9
97.02811	0.9
97.06437	1.3
99.04411	1.5
104.70320	0.6
107.04838	0.6
109.02848	1.5
109.06474	1.2
111.04366	0.6
118.22768	0.6
119.04909	0.6
125.05959	1.0
125.09630	2.9
133.02850	1.8
135.04413	1.2
137.02367	2.0
144.01126	0.6
149.05980	0.9
153.07034	2.2
155.10741	0.7
159.04417	0.9
167.07108	1.1
167.10710	0.9
169.06493	1.0
171.10146	4.8
177.01784	0.6
177.28598	0.7
185.06070	1.0
185.11708	1.1
195.04443	1.0
196.05281	2.0
197.06021	4.0
199.03902	1.2
199.13266	0.7
207.04498	5.3
208.05052	0.9
209.06004	1.8
211.03981	0.9
213.05435	1.2
221.06015	6.0
222.06770	2.4
224.04781	2.1
225.05545	2.3
227.03508	5.5
228.04063	0.9
237.05408	4.4
239.03404	4.5
239.07137	1.2
241.05020	2.8
252.04381	1.1
253.05058	5.7
264.04306	1.5
265.05038	25.2
266.05707	8.6
267.06519	3.0
269.04550	52.8
270.04996	4.0
277.17865	0.8
281.04562	18.6
281.08124	7.3
282.04965	1.1
283.05878	0.8
295.09744	1.0
296.10471	3.0
303.15967	1.7
305.08200	1.8
306.08920	0.9
307.09680	2.9
309.07639	7.7
321.17114	1.8
321.20480	1.4
322.17560	1.1
323.09354	2.6
324.10019	100.0
325.10382	9.9
339.12363	71.1
339.16739	1.6
339.21588	2.6
340.12720	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.84830	0.2
69.56116	0.2
69.76236	1.8
71.28831	0.2
81.03323	0.4
85.58984	0.2
89.03851	1.1
90.52648	0.2
98.19867	0.3
102.46294	0.3
104.04002	0.3
105.03351	2.1
105.45921	0.3
116.90568	0.2
125.11996	0.3
133.02850	5.2
149.02327	0.7
176.01114	0.4
177.01854	100.0
178.02213	4.5
204.12729	0.3
217.42403	0.3
268.03030	0.3
339.07196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80912	0.4
67.01765	0.4
69.30816	0.4
71.15340	1.0
81.90852	0.5
89.03851	2.9
91.01761	0.6
105.03345	0.7
109.02831	4.3
123.04395	0.5
128.72301	0.4
129.71312	0.4
133.01851	0.6
133.02856	11.4
134.03168	0.6
147.04411	1.6
149.02354	0.5
161.02406	1.2
176.01094	1.3
177.01866	100.0
178.02197	4.5
189.01874	1.5
191.03471	0.7
201.01857	4.3
219.02950	3.8
339.07172	5.1
359.18515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01242	1.3
61.93370	0.2
65.00193	0.8
65.03840	1.3
67.01759	0.9
68.99693	0.3
69.41789	1.7
69.42205	0.5
71.01260	0.6
80.02552	0.8
80.18812	0.2
83.04893	0.5
83.79233	0.2
89.22947	0.2
91.01771	49.0
92.02106	1.3
93.03332	0.2
98.20497	0.5
105.66436	0.2
107.01240	0.3
108.02056	1.1
109.02840	14.8
110.03173	0.4
121.02831	1.2
123.04425	0.8
123.08181	0.2
126.85442	0.2
131.04953	0.3
133.02855	1.0
135.00778	100.0
136.01057	3.6
137.02345	3.3
137.33521	0.2
149.02351	1.5
153.01842	68.9
154.02165	2.5
161.02386	1.4
163.03989	0.3
177.01904	1.0
189.01884	1.6
201.11304	0.3
229.29453	0.2
279.04971	1.7
297.06155	1.0
303.16165	0.2
311.18222	0.2
339.07187	25.7
339.18173	0.6
340.07529	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
55.13800	0.6
59.01254	7.3
60.88958	0.6
68.99679	0.8
69.03329	84.7
69.43510	2.8
69.43936	2.8
70.03677	1.4
71.01256	2.1
73.70189	0.6
77.03865	1.1
79.01760	5.4
81.03344	3.3
85.02827	4.8
92.53921	0.6
93.03354	1.5
95.01270	8.7
97.02835	45.8
98.03162	1.3
98.90427	0.6
101.02341	0.6
107.01270	14.5
107.04910	0.8
108.02062	14.3
109.02842	28.6
109.06497	0.9
110.03177	0.9
113.02328	2.2
119.04974	1.1
121.02829	5.3
121.06522	0.7
123.00777	9.0
123.04433	2.1
123.08070	1.0
125.02345	54.6
126.02651	1.0
133.02849	2.9
134.03633	2.1
135.00778	2.2
135.04401	2.1
136.01567	2.7
137.02353	5.8
137.05974	1.0
138.03099	0.6
139.07462	0.7
145.02856	1.0
147.04384	0.7
149.02356	12.1
151.00281	17.9
151.03943	1.2
152.00945	1.4
153.01846	100.0
154.02211	3.0
161.02341	1.5
163.03941	3.3
167.03398	1.7
167.07077	3.5
171.10208	1.6
177.01874	6.1
179.03406	1.2
191.03476	1.4
195.02913	2.0
201.11278	2.9
219.02922	0.7
231.02945	0.6
279.05115	14.5
279.07941	1.1
280.05344	1.4
297.06174	32.0
298.06531	2.1
303.16187	1.2
321.16949	1.5
339.07196	17.8
339.19980	3.6
340.07614	1.8
348.31207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92099	0.2
59.01247	1.4
65.00188	0.6
69.32152	2.6
71.01247	0.5
77.03882	0.2
78.95774	0.8
83.38298	0.2
89.02300	0.4
89.03841	2.9
91.01772	0.5
93.03333	0.5
95.04884	0.5
96.96844	0.3
100.99192	0.3
104.26963	0.2
105.03356	0.7
109.02837	4.1
119.04887	0.3
121.02838	0.5
123.04398	0.9
133.02859	10.0
134.03210	0.5
135.04449	0.4
139.03932	0.3
147.04425	0.5
148.01564	0.6
149.02321	0.6
161.02316	0.8
165.01855	0.3
167.03310	0.4
175.03966	0.3
176.01067	0.8
177.01859	100.0
178.02205	3.9
179.03310	0.3
189.01857	1.4
190.02666	0.4
191.03448	0.5
191.05492	0.5
198.83603	0.3
201.01872	4.1
219.02943	5.1
231.02844	0.4
237.79054	0.2
339.07205	6.2
340.07526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78563	0.3
54.97866	0.4
55.29860	0.3
55.30130	0.3
58.54105	0.3
59.01238	1.1
63.37070	0.3
70.32088	1.0
71.28320	0.3
89.03838	1.6
91.98901	0.3
98.20425	0.4
101.88232	0.3
105.03350	3.4
106.64713	0.3
107.84255	0.3
133.02855	8.9
134.03130	0.5
135.04451	0.5
141.29678	0.3
149.02368	1.4
176.01086	0.6
177.01852	100.0
178.02182	4.0
183.57068	0.3
233.81105	0.3
246.77205	0.4
338.77957	0.3
339.07236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86746	1.9
57.03326	4.4
59.01255	9.7
65.29293	1.7
71.01281	1.9
71.04877	2.0
77.82753	1.6
78.95777	2.4
83.04887	1.7
93.03357	3.2
95.04926	4.4
96.95885	8.4
97.02843	1.9
97.06451	2.2
97.33799	2.1
105.06977	3.0
106.04139	4.4
107.04922	6.5
108.02097	1.7
109.06495	3.8
110.03650	1.7
111.04391	2.6
111.08051	3.2
119.04926	5.1
121.02883	2.9
121.06488	35.4
122.06783	2.2
123.04394	3.1
123.08034	5.0
125.09621	4.0
133.02872	2.4
134.03651	9.9
135.04456	2.8
135.08022	2.0
137.06018	3.0
137.09631	2.9
139.11183	8.5
144.05717	2.7
146.07285	3.7
147.04410	5.5
149.05989	29.0
149.09633	3.9
151.11240	2.7
154.58081	2.3
155.10674	2.2
161.06020	19.9
162.06847	2.2
167.10684	1.8
173.96321	2.0
175.07561	6.3
183.07922	1.9
183.10246	1.8
185.06039	2.2
187.07603	4.9
189.12704	2.9
197.11781	2.5
199.13348	33.1
200.13765	2.9
201.09160	57.6
201.11086	3.9
202.09538	3.8
213.11244	10.5
223.13290	5.7
229.14464	3.5
243.17516	24.3
244.18079	2.3
259.16769	1.8
261.18707	4.5
261.74338	1.7
263.16510	5.1
269.15512	12.7
287.16519	87.1
288.17004	8.9
293.20703	2.0
305.17587	100.0
306.17953	9.6
319.12106	3.2
319.15451	2.8
322.17618	2.9
337.10623	3.4
337.13708	10.7
337.16916	2.5
337.20236	36.0
337.23907	4.3
338.20374	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
62.29534	1.0
69.42872	4.1
69.43302	5.3
71.01257	2.6
85.02802	1.7
90.85245	1.0
96.95910	1.0
98.20554	1.2
99.40384	1.1
101.38159	0.9
101.58730	0.9
107.21436	1.0
111.00770	10.0
150.69975	1.0
163.03813	1.1
173.00838	1.4
173.04442	1.3
189.55782	1.0
191.05600	2.5
223.43053	1.1
302.83035	1.2
359.19351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02295	2.7
59.01253	17.1
60.21181	2.5
66.03171	2.4
71.57812	5.0
80.24392	2.5
85.01008	3.0
91.99244	3.2
97.13583	2.6
105.07001	5.8
107.04926	3.9
107.08557	8.4
121.72731	2.9
134.03601	4.4
137.09602	13.9
139.11174	3.9
149.05977	6.0
153.09032	7.2
171.08350	3.7
187.07776	3.6
193.06850	6.4
199.13368	5.3
201.09151	17.4
241.08952	6.1
245.19002	4.4
255.23422	3.6
271.16968	3.3
289.18085	73.7
290.18347	4.7
291.19720	23.9
322.15970	19.4
333.47809	2.9
337.14655	8.1
337.18399	100.0
337.23584	7.2
338.18771	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1444
Annotation	Taxamairin A
Peak:m/z	Relative Intensity
59.01250	4.6
60.09100	1.0
71.57802	1.5
79.19772	0.8
141.41782	1.0
157.02908	1.5
199.03923	1.8
224.04749	8.0
225.05463	2.8
249.05540	2.3
252.04231	12.3
253.04736	3.0
255.19496	1.0
255.23318	2.2
263.03436	2.5
264.04260	46.6
265.04648	3.7
267.06607	23.4
268.07001	2.1
277.05142	1.0
279.06644	58.3
279.10168	9.1
280.07153	4.4
280.10010	1.2
292.07483	1.7
307.09756	24.3
307.13351	1.2
308.10043	2.9
313.65918	0.9
321.11407	1.1
322.12027	7.6
337.14450	100.0
337.18103	5.0
338.14819	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1082
Annotation	Glyinflanin B
Peak:m/z	Relative Intensity
52.59510	0.4
53.55123	0.4
56.26491	0.4
59.01244	0.7
63.77442	0.4
65.03822	2.1
69.03343	0.5
69.09150	0.4
69.57539	3.1
78.09931	0.5
79.05413	1.2
81.86526	0.4
82.67043	0.4
90.98801	0.4
91.05413	20.7
92.05764	0.5
93.03329	4.2
97.02840	0.7
98.20433	0.7
107.04916	7.5
109.02843	1.7
117.03352	1.1
119.04874	1.1
119.08551	0.5
121.02848	0.8
131.08604	0.9
133.02850	3.8
135.04424	100.0
136.04749	4.5
137.09636	1.4
137.51712	0.5
141.07069	0.4
157.06503	4.7
159.04460	1.4
160.05299	0.5
161.02362	37.3
162.02701	1.5
175.07578	34.9
176.07909	1.7
193.00113	0.5
199.13356	4.2
201.05530	4.7
213.14861	1.1
219.06525	1.1
249.09328	0.5
301.08902	0.6
301.21677	0.9
303.06659	0.7
309.11127	0.6
319.09763	25.4
319.22751	3.4
320.10138	2.0
325.09900	0.5
335.09100	0.6
337.10785	22.4
337.23621	3.0
338.11197	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80724	0.2
53.89408	0.2
57.03341	0.3
57.04336	0.2
59.01250	2.9
67.01768	1.1
69.03311	0.3
70.50510	0.3
71.01247	1.5
73.02823	0.3
81.03342	0.5
83.04900	0.5
85.02824	7.0
87.00746	2.4
87.71819	0.2
89.02315	0.6
93.03333	7.5
94.03661	0.3
98.60363	0.2
99.00758	0.3
101.02342	0.5
101.93068	0.2
108.02058	0.2
109.02819	0.6
111.04409	1.6
113.02383	0.5
117.03344	0.2
119.04917	2.7
124.33469	0.3
127.03899	1.2
129.01872	0.3
137.02240	0.2
145.02831	0.9
151.38576	0.2
155.03398	0.3
161.02380	0.2
163.03918	2.4
171.02888	0.7
173.04457	2.5
178.87524	0.2
191.05540	100.0
192.05887	2.9
286.93597	0.2
316.65820	0.2
317.65259	0.2
337.09183	1.0
337.15015	0.6
359.13773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03324	0.6
58.82327	0.2
59.00949	0.4
59.01251	6.4
60.99183	1.4
65.13022	0.3
66.45908	0.2
67.01764	3.8
69.03314	1.4
71.01243	1.9
72.99168	0.3
73.70850	0.2
81.03328	0.9
83.04896	0.6
85.02818	6.9
85.05685	0.2
87.00754	6.1
93.03335	24.3
94.03668	0.6
95.01245	0.3
98.19823	0.6
99.00732	0.7
99.04388	0.7
109.02838	0.8
111.04403	3.5
113.02322	0.7
114.02699	0.3
117.03310	0.3
119.04913	9.8
120.05249	0.4
121.77561	0.3
127.03886	2.0
129.01822	0.7
137.02364	0.7
143.03337	0.3
145.02921	1.3
153.01884	0.3
155.03426	0.9
163.02509	0.4
163.03914	8.5
171.02901	0.6
173.04469	15.0
174.04874	0.4
185.15126	0.3
191.05536	100.0
192.05896	2.9
208.23749	0.3
209.88164	0.3
211.76315	0.3
268.55182	0.3
337.09180	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.3
59.01253	1.5
60.99183	0.2
65.15318	0.2
67.01765	1.1
69.03323	0.6
69.64623	1.0
69.65029	0.4
70.43066	0.2
71.01250	1.2
73.02808	0.4
81.03329	0.7
83.04915	0.5
85.02823	10.5
86.03182	0.2
87.00759	3.5
93.03335	9.0
99.04386	0.4
109.02834	0.9
111.04385	1.9
119.04916	3.0
123.77753	0.2
127.03912	2.8
132.13812	0.2
145.02847	0.8
155.03421	0.3
163.03915	2.7
164.04207	0.3
171.02904	0.7
173.04472	2.7
191.05542	100.0
192.05881	4.3
337.09186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17284	1.3
50.58865	1.3
51.24228	1.6
55.01765	1.7
59.01247	6.0
68.99672	3.1
70.58739	5.6
71.01257	5.3
75.00746	2.3
77.05717	1.4
78.08287	1.6
83.01272	2.0
85.02831	8.5
85.57401	1.5
87.00760	2.5
99.00761	4.5
101.02338	2.2
106.71653	1.7
113.02329	5.5
113.99479	23.7
115.00276	6.0
127.00275	4.3
129.01781	2.0
157.01343	4.3
174.01616	22.0
209.22533	1.6
242.74338	1.7
277.05609	25.0
278.05988	1.8
303.60925	1.7
337.07773	100.0
337.41916	1.8
338.08200	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0778
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01768	0.9
56.19661	0.6
59.01252	13.5
68.99682	3.0
71.01255	6.8
71.14185	1.4
72.16585	0.7
73.02821	4.5
75.00761	1.3
83.01253	2.2
85.02817	6.7
87.00739	2.8
89.02315	2.2
96.60019	0.7
97.02823	0.9
99.00745	5.2
101.02314	4.6
105.86798	0.7
110.98466	1.0
111.00749	2.2
111.14138	0.6
113.02326	7.7
113.99474	16.2
115.00288	6.8
127.00244	2.5
129.01805	1.8
131.03368	0.9
135.04427	0.6
137.02338	0.8
139.00287	1.1
157.01350	4.3
157.04967	1.1
158.63055	0.7
169.01353	1.5
174.01619	15.4
175.02373	3.2
218.03734	0.8
277.05661	20.9
278.06024	1.0
283.21945	0.7
337.07779	100.0
337.14822	3.9
338.08273	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58627	2.0
57.03318	2.2
59.01252	100.0
64.27303	1.9
70.65392	2.5
70.65746	6.3
71.01256	69.6
72.99157	3.6
73.02823	78.5
81.03335	2.8
83.01260	21.8
85.02813	3.9
87.00800	2.2
89.02310	12.2
89.94890	2.2
99.00758	4.7
101.02329	64.1
109.65015	2.0
113.02340	13.8
119.03390	3.8
125.02285	2.9
131.03397	3.3
131.07027	7.5
135.04439	4.5
138.01877	11.8
143.03401	3.0
149.04439	2.1
155.03419	2.3
161.02290	2.7
161.04478	7.7
191.05423	2.1
216.68947	2.2
293.12421	4.3
335.13492	31.3
335.17059	4.3
335.20691	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74517	0.3
56.15145	0.3
57.79230	0.3
59.01229	0.7
59.98372	0.6
62.02131	0.4
71.01254	14.9
71.57439	0.4
72.17558	0.4
80.85881	0.3
85.02809	1.1
125.99239	4.7
137.27217	0.3
141.98730	0.4
165.01604	8.8
180.03925	0.3
193.04730	1.2
193.08511	2.1
193.10083	0.4
194.05519	0.7
211.82504	0.4
221.07935	5.5
222.08693	100.0
223.09068	4.8
224.41162	0.4
236.10303	1.8
240.75256	0.3
254.07692	9.4
305.21011	0.4
311.00366	0.4
315.19586	0.5
333.20493	15.7
334.20874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1287
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
53.38733	0.8
61.64521	1.2
61.94580	0.9
69.92930	5.3
88.96693	1.0
96.95899	3.8
117.03337	1.5
119.04919	48.6
133.06464	2.3
145.02838	2.8
157.06485	9.8
161.02434	1.0
161.27878	1.0
169.06566	1.2
171.04401	1.6
185.02373	1.7
201.05540	6.9
213.05553	1.4
214.06252	1.9
219.06589	3.0
227.07021	2.2
227.30888	1.0
246.05276	2.2
277.05093	1.7
291.10239	2.8
303.10263	3.9
304.07544	1.0
305.08237	3.9
319.09750	11.3
320.10532	11.0
321.11063	0.9
327.46326	1.0
335.12885	100.0
336.13232	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0591
Annotation	2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
50.97603	0.2
53.68189	0.2
62.96296	0.3
70.28820	0.3
70.29232	0.7
78.95776	100.0
96.96838	18.7
100.49799	0.2
132.57361	0.2
139.49229	0.2
150.97929	1.3
152.99490	57.9
153.99843	1.0
171.00563	6.7
196.41040	0.2
223.00020	0.7
231.06873	0.2
241.01154	26.9
242.01541	0.9
259.02246	1.7
333.05914	37.2
334.06198	1.6
353.04974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36537	0.4
59.01239	1.7
59.23912	0.4
63.44733	0.4
70.24125	1.2
70.24528	0.8
71.01247	2.0
73.02789	0.6
78.03368	0.9
78.95790	0.8
80.04919	0.5
80.99327	0.5
83.01261	0.6
85.02823	0.7
92.04931	1.8
94.02848	0.5
94.06496	5.0
101.02319	1.2
104.04954	3.5
105.03366	2.6
106.06507	14.3
107.06815	0.6
108.04438	1.4
113.02296	0.5
120.04441	6.2
121.05224	1.4
122.02400	0.9
122.06020	14.2
123.03156	2.3
123.06317	0.6
124.07587	1.0
131.03647	1.4
132.04456	8.4
135.03122	0.4
136.03917	0.5
138.05505	23.8
139.05864	0.5
145.01936	0.5
148.03964	0.8
150.05499	2.6
161.04510	0.5
166.04956	0.9
173.08386	0.6
184.11269	0.5
188.07033	0.8
189.07924	1.1
202.08614	0.5
202.12158	0.9
212.09549	0.4
213.06630	0.9
215.11810	1.6
217.07372	1.3
220.63704	0.4
225.10254	0.5
226.07455	0.5
228.08897	0.7
229.09764	1.0
231.08844	0.9
231.11310	0.7
241.09798	3.1
243.11368	1.5
259.10843	0.8
271.10886	0.9
289.11945	100.0
290.12271	8.7
333.06671	0.7
333.10748	4.3
333.13660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12120	0.6
58.90214	0.6
59.01256	0.7
69.03348	0.7
71.01252	18.9
71.25111	0.7
71.58273	1.0
83.04973	0.7
85.02835	0.9
89.07553	0.6
99.04394	0.8
113.05977	0.9
125.09621	2.6
125.99278	3.2
139.17162	0.7
141.09113	6.9
143.10677	0.9
165.01610	8.0
165.05270	0.9
165.08980	1.7
181.08389	3.3
183.09930	3.4
193.04861	2.0
193.08395	19.1
194.05640	0.7
197.07834	0.8
205.08443	1.2
207.06375	0.8
207.09976	0.9
209.07886	6.0
221.07860	5.1
222.08693	100.0
223.09453	50.5
224.09819	1.8
225.07382	2.2
227.09012	2.5
236.10268	4.5
248.10278	1.1
254.07712	10.8
262.11887	3.2
267.08582	1.2
301.18011	1.9
303.19455	2.3
313.17886	3.9
331.18915	24.2
332.19229	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
63.27954	1.1
69.03320	2.5
69.64935	7.2
71.01243	1.2
75.53400	1.1
81.03342	1.5
82.27850	1.1
95.01273	2.3
95.21342	1.2
97.02842	2.4
101.02340	1.2
107.01272	2.2
109.02840	1.3
123.00757	16.0
123.04446	1.1
124.01556	38.2
125.02342	25.3
139.00311	1.2
140.01024	2.0
149.99515	4.1
151.00272	7.6
153.57870	1.2
167.03383	3.7
168.00558	100.0
169.01346	7.7
179.03366	1.1
235.05698	1.2
288.32324	1.3
313.05667	2.6
331.06693	78.1
332.07080	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03329	2.8
59.01268	2.2
60.38221	1.2
65.00184	2.9
69.03327	2.4
69.81339	6.8
71.01257	1.8
72.29935	1.1
80.34171	1.2
81.03341	3.8
83.01260	12.9
88.91929	1.0
95.01308	1.5
97.02840	4.3
98.20509	1.2
99.00768	1.5
107.01302	8.3
108.04552	1.0
108.11553	1.2
119.96314	1.2
121.02853	1.7
122.03605	2.7
123.00764	3.9
123.04447	2.3
124.01546	13.6
125.02338	65.2
131.01265	1.0
140.57513	1.1
149.99489	15.1
150.72571	1.0
150.84145	1.1
151.00276	39.0
151.03844	5.2
167.03447	2.3
168.00558	40.1
169.01338	28.2
169.05000	3.5
170.01654	1.2
175.00301	4.9
193.01361	3.4
205.01360	1.3
233.65329	1.3
243.04361	1.2
306.23474	1.1
313.05658	3.8
314.02353	1.1
314.05975	1.2
331.06714	100.0
332.07013	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1195
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.63369	1.3
58.15483	1.6
59.01249	10.6
62.86209	1.3
68.99697	2.5
70.40706	5.8
71.01261	6.9
72.99171	2.3
83.01327	1.5
85.02816	4.0
85.99963	3.5
87.00751	16.5
89.02327	5.1
99.00762	2.6
101.02322	4.0
108.04418	2.4
110.02369	2.0
113.02335	3.9
119.03371	2.7
121.05210	3.6
122.06009	46.6
123.04414	11.4
123.06351	1.7
124.00299	2.8
124.03952	1.8
125.02369	2.6
126.01855	2.0
134.06009	4.5
135.03105	1.4
136.03966	3.2
136.07574	16.6
138.05573	1.7
150.05508	100.0
151.00275	2.0
151.03920	22.6
151.05780	3.2
152.07071	7.2
159.03069	1.9
162.05487	2.3
164.07051	3.5
168.02917	3.2
168.06505	3.9
169.01300	1.6
169.04984	12.0
174.05408	2.2
175.06303	4.0
175.09067	1.6
176.07088	7.6
180.34274	1.4
192.06680	1.6
194.08125	4.2
204.06590	3.4
222.07588	4.0
252.08929	2.4
270.02475	4.5
312.10876	61.4
313.11136	4.0
328.10114	1.8
330.04831	11.4
330.11920	29.2
331.06763	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24162	12.7
69.24841	100.0
69.96914	10.0
77.00015	9.9
98.20558	24.0
123.22449	9.6
131.54102	9.8
184.30109	11.1
296.62589	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03313	1.1
60.75789	0.4
68.55100	0.4
71.04897	0.5
83.04902	0.6
84.02010	0.5
90.70482	0.4
93.03351	0.4
97.06482	0.4
99.08035	6.8
121.10098	0.7
125.09605	1.2
127.11181	6.5
137.09660	0.8
139.11183	17.7
140.11450	0.6
155.10658	1.1
157.12230	1.7
167.14285	0.9
171.10184	37.6
172.10556	1.5
173.04425	0.8
183.13835	2.3
191.05516	0.9
193.12332	1.0
201.11290	0.7
209.11736	0.7
211.13333	14.9
212.13649	0.7
229.14404	8.1
293.21393	0.6
311.22229	0.8
329.23322	100.0
330.23688	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83963	0.6
57.03324	5.6
59.01240	4.7
71.01253	1.7
71.57781	1.2
78.95793	4.2
80.02567	4.1
81.03328	0.8
82.78455	0.6
83.04953	0.6
86.95149	0.5
91.05416	3.3
93.03341	1.0
95.04908	0.9
106.04125	2.5
107.04886	0.6
111.08046	1.4
113.06035	0.6
121.02915	0.6
123.04355	1.1
125.02367	0.8
127.07526	1.7
135.08058	26.5
136.08330	0.6
137.09657	1.6
139.11208	12.7
141.09097	1.3
151.07408	0.9
152.99481	5.9
153.08905	0.8
159.07855	0.9
162.96332	0.6
171.10214	0.6
175.07338	0.7
177.08855	3.5
179.10461	8.0
181.11980	1.6
189.08861	1.0
191.06882	0.8
193.08409	11.0
205.08430	2.2
207.09969	100.0
208.10281	3.6
209.07817	0.6
215.18027	2.5
217.19562	1.2
221.07843	1.5
223.09476	6.5
223.13153	0.9
224.09760	0.7
225.10994	0.9
233.19041	1.8
237.14938	0.9
243.17485	0.7
251.08968	0.8
255.15984	6.0
257.11526	0.7
267.12177	1.7
270.98813	1.0
277.21686	2.6
283.16769	3.5
285.18359	5.1
298.98383	1.1
299.16214	1.3
301.17844	10.8
311.16202	0.9
314.00912	1.2
315.15689	1.8
317.17261	7.0
318.17615	0.8
329.17377	17.6
329.23230	1.5
329.26904	0.6
330.17715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81422	1.3
59.01250	100.0
60.66938	1.2
69.99603	5.0
71.01255	8.1
83.01245	1.4
85.02819	3.3
93.03362	1.6
99.00759	1.6
101.02288	6.3
112.24177	1.4
113.02300	3.0
123.04422	2.9
125.02347	5.4
161.04424	2.7
167.03453	5.1
212.12439	1.3
262.27655	1.6
269.10504	2.8
329.11398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1142
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
59.01255	4.4
66.01349	0.8
69.66211	2.0
69.66628	4.3
71.01241	2.6
82.02853	11.6
85.02826	1.6
97.06461	1.3
101.02299	1.5
101.44068	0.8
103.29118	0.7
105.03326	1.6
106.06497	11.2
108.04427	2.5
109.74586	0.7
110.02345	2.5
113.02306	1.0
120.04453	1.2
121.02860	1.4
122.05970	3.1
123.04428	7.1
127.65454	0.8
132.04448	36.3
133.05231	2.3
134.06010	44.5
135.04419	5.8
135.05241	0.9
135.06342	2.2
136.03935	4.2
148.03952	1.7
149.04704	3.8
149.80896	1.0
160.03954	23.8
160.05167	1.0
161.02556	5.5
161.04727	38.1
162.05516	96.7
163.05872	3.8
164.07130	0.9
167.03369	2.8
173.04556	2.2
175.07442	1.2
176.03444	4.9
193.03737	66.5
194.04175	3.2
198.05544	0.9
206.04582	1.3
211.06148	1.6
212.07155	5.7
213.07837	2.7
214.08734	7.5
226.08719	3.0
240.10431	1.8
241.06149	8.1
242.11913	6.0
243.11342	4.8
254.06839	0.9
257.09293	11.9
268.09753	3.8
269.09323	7.9
270.09692	1.2
285.12442	100.0
286.12714	6.5
311.10382	15.5
312.10635	1.2
329.11380	96.8
330.11816	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.103
Annotation	Colutequinone B
Peak:m/z	Relative Intensity
55.40020	0.2
56.45488	0.2
59.01254	1.4
65.03834	2.3
67.01748	0.5
70.24815	0.6
70.25227	0.4
71.01239	0.5
78.95784	0.4
85.02842	0.3
91.05409	14.4
92.05737	0.4
93.03337	3.6
108.01928	0.2
109.02834	14.2
110.03197	0.4
121.02843	13.3
122.03684	0.4
123.04390	0.5
135.04414	100.0
136.04742	3.2
137.06001	1.6
147.04398	2.3
148.05203	9.5
149.05484	0.4
151.03938	1.0
152.99461	0.5
163.07555	20.3
164.07936	0.8
169.68019	0.2
171.10155	0.5
174.03148	0.4
207.06587	0.3
207.09953	0.4
222.88261	0.2
270.98972	0.4
285.11349	2.7
286.11987	0.2
296.06900	1.4
298.98627	0.2
311.09204	2.4
329.10284	4.8
329.17371	0.5
329.23395	1.3
330.10712	0.6
345.09488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52612	0.5
59.01244	2.2
63.05522	0.5
68.91114	0.9
71.01244	6.7
71.19258	1.1
73.02810	1.9
85.02820	2.3
89.02310	1.1
93.79472	0.6
95.01264	1.6
97.02814	0.8
99.00745	0.9
99.04417	0.8
101.02319	3.2
108.02055	1.7
109.02840	1.9
113.02334	2.9
121.02834	2.4
121.09349	0.6
122.03626	100.0
123.00767	1.9
123.04385	6.0
125.02329	1.9
135.04376	1.0
137.02309	1.9
137.05956	1.6
139.00269	2.0
141.55907	0.7
147.04408	1.7
149.06033	0.7
150.03201	0.7
151.03868	0.7
159.02979	1.0
161.04454	4.7
165.05504	4.7
166.99779	1.8
167.03404	2.3
168.00548	0.7
169.01320	0.8
177.05461	2.3
180.02806	0.7
234.86952	0.6
285.09821	1.2
329.05341	0.8
329.08878	2.8
343.57016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75930	0.4
53.39582	0.5
55.42018	0.4
59.01250	100.0
59.61923	0.5
60.01578	0.6
67.99199	0.5
69.47323	0.5
69.69480	3.6
71.01258	1.2
98.20493	0.7
109.02872	0.8
114.05514	0.5
120.87029	0.5
121.02806	0.5
135.04396	1.0
222.18599	0.6
236.20168	0.7
268.22766	6.5
310.23901	2.4
311.09125	0.7
328.24915	70.7
329.10281	0.8
329.25320	5.4
346.18881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	36.2
66.26297	20.7
71.58441	42.8
73.05187	21.2
81.03313	28.3
81.44392	20.6
83.04914	69.5
93.61378	21.7
98.51302	20.6
166.20735	23.8
171.10239	24.9
180.52185	18.9
229.14523	21.6
235.20720	24.3
253.21742	71.8
262.52029	25.6
327.18137	100.0
327.21820	46.1
327.28754	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03310	1.4
58.00473	1.6
59.01253	2.2
62.82895	0.8
67.50931	0.8
69.03324	5.1
69.99351	4.5
83.04891	1.1
85.02832	2.5
93.98544	0.8
97.06454	1.9
101.25253	1.2
108.05692	1.6
111.07994	2.9
115.30429	0.9
119.08568	7.4
123.08057	1.2
125.09627	3.9
127.11182	4.0
135.08031	1.9
137.09625	25.3
155.10628	1.6
165.09131	1.0
169.12292	1.1
171.10179	100.0
172.10548	3.0
181.12218	1.2
183.13884	1.7
185.11807	1.2
197.11803	16.1
199.13301	3.0
201.11243	19.6
201.89520	0.9
211.13370	3.9
213.11246	1.8
229.14473	2.2
273.18591	1.6
291.19659	3.9
309.20728	7.0
327.21771	71.9
328.22223	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03316	2.6
57.98233	0.6
60.18609	0.5
64.94530	0.6
69.03329	2.5
69.81674	4.5
71.01271	0.7
84.02021	1.1
85.02822	13.9
97.02812	1.3
97.06452	4.3
100.93115	0.6
103.61022	0.6
119.08514	0.7
125.09599	1.4
127.11172	2.7
137.09631	4.0
153.09076	0.7
155.10707	0.7
165.12788	1.0
167.14294	1.3
171.10176	32.4
172.10493	1.3
174.46333	0.8
177.12756	0.9
183.13783	2.9
185.11749	1.1
193.12216	1.5
197.11824	1.0
201.11285	1.3
209.11829	1.9
211.13336	18.4
215.90674	0.6
221.11815	2.1
221.20383	0.6
229.14404	9.9
230.14723	1.0
239.12848	2.4
284.56207	0.6
291.19714	3.3
292.20453	0.7
309.20578	0.8
327.21759	100.0
328.22125	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.04520	0.8
57.03327	9.5
58.00468	2.1
59.01236	1.8
66.29575	1.1
83.04918	1.2
85.02824	1.6
88.52466	0.9
97.06480	1.8
98.20590	1.8
112.07860	1.0
113.09605	19.5
123.08003	1.2
125.09589	8.1
126.09993	1.4
127.11198	14.5
135.08046	1.4
137.09608	3.0
139.11172	1.8
141.09085	2.4
151.11194	3.7
153.09116	1.8
155.10681	4.6
159.22379	1.1
165.09131	3.3
167.10683	0.9
171.10168	9.7
195.10184	3.9
199.09747	3.4
201.11267	73.4
202.11601	4.1
213.11272	51.9
214.11632	1.9
227.12671	1.1
291.19623	9.7
309.20712	18.7
310.20953	1.4
327.21762	100.0
328.22040	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.02861	0.5
57.03338	0.8
58.00470	0.9
59.01246	1.6
69.03321	4.0
69.88905	3.7
69.89228	0.6
72.99145	0.8
83.04906	0.7
85.02842	1.7
85.14452	0.5
87.10913	0.5
97.21100	0.5
102.58460	0.6
108.05685	1.2
119.08532	5.9
125.09618	3.9
127.11200	3.9
135.08057	1.6
137.09613	20.5
155.10651	0.8
165.09122	0.6
171.10184	100.0
172.10544	3.7
185.11743	0.8
197.11761	2.4
199.09613	0.9
201.11261	23.9
202.11646	1.3
211.13335	1.2
213.11278	2.8
229.14528	1.2
273.18610	1.4
291.19714	3.5
309.20663	5.3
319.14514	0.7
327.21759	42.0
328.22000	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.2
57.03336	2.7
58.00465	5.7
59.01252	100.0
70.75169	4.4
70.75527	5.1
71.01254	71.0
72.99186	8.0
73.02833	5.8
81.31092	2.4
83.01257	4.9
85.02829	20.3
86.70116	2.2
87.00750	7.0
89.02320	59.9
89.67470	2.3
93.03339	13.8
95.01260	5.4
99.00773	3.3
101.02316	34.7
109.10370	2.5
110.40755	2.8
113.02341	26.8
119.03396	25.7
119.04901	11.4
134.04630	8.1
135.04411	8.7
143.03413	3.6
147.04413	17.9
147.06493	3.2
161.04500	7.8
165.05501	11.2
165.07585	32.9
165.08911	3.7
172.00969	2.1
179.05513	14.2
192.10251	2.5
200.39619	2.7
267.10684	5.7
281.08850	2.5
310.33820	2.9
327.13031	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12559	4.3
57.03330	4.1
59.01251	100.0
65.06167	4.8
69.03329	6.3
70.18581	9.9
70.18977	11.9
71.01254	52.7
72.99172	6.0
73.02822	40.2
83.01256	9.3
85.02824	16.2
87.00758	7.8
89.02299	24.0
93.03298	7.7
95.01262	5.7
98.19879	6.2
101.02326	35.4
113.02315	20.9
113.12746	5.1
119.03410	9.9
121.02825	7.5
123.04404	20.4
124.22479	4.5
147.04411	35.8
147.08153	4.1
149.02332	13.6
161.04454	5.6
164.08324	5.2
164.87238	5.0
165.05573	6.6
171.26399	4.1
267.08868	9.1
300.46036	5.8
312.10031	5.2
327.21613	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40636	2.0
51.88712	1.9
59.01255	100.0
63.71273	2.3
71.01257	41.1
73.02821	53.9
76.07436	2.2
83.01263	15.0
85.02805	3.4
87.00719	2.8
89.02319	8.2
92.53241	2.2
96.60872	2.1
100.99771	2.1
101.02326	36.7
113.02367	14.1
119.03397	2.8
123.04395	3.6
131.03392	3.7
139.83073	2.1
143.03450	2.8
147.04459	4.5
149.02429	2.6
149.04445	4.1
159.10136	2.6
161.04485	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
59.01254	76.1
63.96901	2.6
69.84079	14.4
71.01256	43.8
72.99180	2.8
73.02815	24.3
74.11074	2.3
75.00739	6.5
79.05413	8.1
81.03326	5.4
82.21489	2.3
83.01259	7.0
85.02828	7.4
87.00761	3.1
89.02316	21.6
95.01278	3.9
98.19878	4.4
101.02308	28.4
109.02827	12.8
112.08392	2.4
113.02341	16.3
119.03367	9.3
121.02831	5.8
123.04415	100.0
124.04748	3.1
125.02353	2.8
131.03349	3.9
131.08258	2.8
135.04411	5.6
136.05173	3.2
137.05988	12.9
143.03375	3.7
147.04453	23.5
149.02370	14.4
149.04388	3.1
151.61958	2.2
161.02368	3.2
161.04524	2.8
164.04710	10.3
165.03957	15.7
165.05338	5.4
179.03406	5.0
181.04977	4.0
217.04924	4.5
223.57651	2.6
312.09912	4.6
327.10483	3.5
327.13962	3.9
327.21732	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.03328	1.5
59.01250	100.0
60.54038	1.8
66.03864	1.6
71.01256	38.6
72.66311	1.8
72.99197	2.8
73.02820	39.8
81.03352	1.7
83.01250	11.7
85.02836	9.4
87.00735	2.3
89.02315	10.1
93.03345	6.5
95.01280	2.6
95.04905	1.9
99.92626	1.7
101.02319	39.4
107.04930	4.0
109.02811	8.9
113.02316	15.5
119.03374	3.0
119.04892	6.6
121.02849	5.8
123.04405	97.2
124.04739	1.9
131.03352	3.4
131.04942	3.4
143.03416	3.3
147.04442	13.5
149.04420	3.6
149.05994	4.7
149.60524	1.8
150.50287	1.5
159.04384	2.3
161.04491	5.8
163.25256	1.9
165.05473	4.8
173.06004	3.4
177.05516	1.8
182.52480	1.8
217.05011	4.8
249.07597	2.3
252.22479	1.9
267.06073	2.0
267.08755	38.7
285.09790	53.2
286.10162	3.4
327.08411	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.8
66.91259	0.6
71.01270	0.9
97.06380	0.8
98.20583	1.6
119.04938	1.1
121.10062	1.0
123.08060	0.8
125.09671	2.0
132.01393	0.7
134.47009	0.8
137.09615	1.4
139.11214	2.4
151.11226	2.2
171.10185	7.5
177.12755	1.4
183.01151	18.0
183.10178	2.0
184.01579	0.8
197.02672	5.1
201.11345	3.1
213.11375	2.2
227.12875	1.6
232.10860	0.7
265.21741	1.2
275.20129	2.4
293.21225	11.8
294.21619	1.5
307.19193	3.0
307.22775	3.8
310.21512	4.0
311.21738	0.8
325.18460	37.1
325.23843	100.0
326.18625	4.2
326.24164	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
57.94677	1.2
59.01241	2.1
60.20410	1.3
62.54457	1.4
67.71023	1.4
69.03338	3.0
71.04889	3.8
77.27903	1.4
96.91194	1.4
98.20596	3.2
111.08076	1.5
112.23659	1.3
117.93562	1.4
121.02856	1.7
125.09609	6.1
127.11171	2.5
135.04388	2.7
137.09627	1.6
139.11169	9.4
141.09175	1.9
153.09119	6.5
158.00180	1.5
167.06119	1.6
167.14386	2.6
171.10162	2.3
177.12762	13.8
183.01152	9.5
195.13847	68.0
196.14186	2.7
197.02736	5.6
198.03337	1.6
201.11249	6.4
202.11612	1.4
203.10594	1.6
209.11754	2.1
211.13321	5.3
213.11252	5.3
227.12819	4.8
230.10411	1.6
249.22206	4.1
255.90376	1.5
256.46066	1.6
265.21613	2.0
275.20050	2.9
288.02618	1.5
289.18124	2.1
290.61578	1.4
293.21231	45.9
294.21417	2.8
307.19162	8.9
307.22763	5.8
310.21436	6.6
316.59818	1.6
325.18506	23.6
325.23822	100.0
326.18585	1.7
326.24081	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01239	1.1
69.29978	2.1
69.30402	3.9
70.51785	0.5
81.05774	0.5
110.11174	0.6
119.04920	1.0
133.60663	0.5
146.58691	0.5
147.08012	0.6
149.09622	91.4
150.09943	4.4
163.11195	100.0
164.11533	5.5
166.98410	0.6
171.86243	0.5
183.01140	25.7
184.01669	1.6
197.02751	1.9
201.11267	1.0
216.00961	1.2
227.67906	0.5
264.89124	0.5
265.25284	0.7
267.48846	0.6
307.19058	1.0
325.18356	37.8
325.21762	86.4
326.18686	4.5
326.22095	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.7
59.01248	5.4
83.04900	2.3
93.03321	2.1
111.08092	2.5
121.10135	6.0
123.08034	3.6
125.09606	6.7
127.11196	3.2
137.09631	3.0
139.07442	1.6
139.11191	51.2
151.11238	9.1
153.09116	4.5
155.10649	3.6
157.30774	1.8
163.11143	1.7
165.12816	2.3
171.10191	47.8
172.10536	3.1
177.12752	16.1
179.14345	2.8
183.01135	17.2
183.10269	5.8
197.02707	17.6
201.11215	4.4
209.11763	2.2
213.11314	3.3
227.12936	4.5
275.17657	2.4
275.20184	16.2
289.18045	2.4
293.21213	20.6
307.19226	6.4
307.22748	35.9
308.23349	2.5
325.07288	3.7
325.18475	54.6
325.23856	100.0
326.18478	4.5
326.24362	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	7.0
58.00456	2.6
59.01238	3.3
69.03319	2.3
70.00294	3.4
70.00699	4.7
71.01231	2.1
71.04887	1.5
74.26378	1.3
80.02533	2.3
83.04871	2.5
84.02006	1.7
85.02840	1.7
91.05404	4.3
97.06437	4.6
109.02827	4.1
111.08046	33.1
119.04906	1.8
121.02852	11.3
121.80840	1.4
123.08092	6.9
123.69414	1.4
125.09620	32.8
126.09892	1.6
127.11169	15.0
134.03610	1.5
135.04411	27.2
135.08063	3.4
137.09596	10.8
139.11169	4.5
141.09065	4.7
143.10628	1.5
147.04399	5.0
151.11174	5.4
153.09119	7.9
155.10658	6.1
164.08278	2.6
165.09081	4.2
167.10667	2.2
169.12184	1.5
171.10168	30.3
177.09111	4.4
183.10091	4.1
183.77876	1.5
185.11737	7.5
189.09114	7.4
195.10162	3.3
197.11748	3.5
199.09665	5.0
201.11256	100.0
202.11632	4.5
203.10712	15.8
209.11772	4.1
213.11259	61.7
214.11530	3.2
215.10728	2.0
227.12851	3.2
245.19110	2.7
250.11949	1.7
263.20132	4.1
289.18124	24.8
307.19122	41.1
308.19547	2.4
325.20175	76.0
326.20654	7.6
331.39493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83722	2.8
55.01736	3.1
57.03321	6.1
69.03320	5.1
69.24423	19.8
69.24843	6.8
71.01243	5.3
71.04884	13.2
81.03333	2.9
83.04891	16.0
84.02029	4.2
85.06479	2.6
95.04893	6.1
97.06476	6.7
99.08035	3.7
106.04131	3.7
109.06493	7.3
111.04393	4.9
111.08010	3.6
113.05981	2.8
115.07542	2.8
121.06490	5.9
123.08025	12.8
125.09595	15.3
127.07555	17.5
127.11134	3.1
135.08083	14.7
139.07544	5.0
141.09044	2.8
153.09117	27.2
155.10706	4.9
163.11258	5.3
165.12784	3.5
171.10190	57.5
178.09969	3.7
185.11769	17.5
191.10719	3.4
197.11777	19.3
201.11293	7.7
207.10207	2.8
209.11789	89.2
210.12100	3.0
211.13329	7.5
221.11794	3.1
225.11324	2.7
235.13319	10.1
237.14961	6.6
238.12129	11.4
245.19220	5.4
249.14958	2.6
256.13184	5.0
289.18066	22.3
307.19138	100.0
308.19507	7.6
325.20197	77.9
325.24091	3.7
326.20578	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45558	2.5
57.03315	5.4
58.91650	2.6
59.01249	3.9
69.03326	2.2
71.04890	4.3
71.07476	5.4
73.02824	7.8
81.03321	5.6
83.04918	4.8
95.04890	3.6
97.06476	16.5
99.04440	3.5
111.08063	2.3
119.04903	9.1
123.08007	8.0
125.09612	100.0
126.09925	3.1
127.11153	6.1
135.08037	5.8
137.09628	2.7
139.11157	6.8
141.09109	81.9
142.09447	4.9
151.11211	2.3
153.09209	2.4
165.09146	2.5
169.08659	3.2
171.10156	18.5
183.10223	4.8
187.09650	12.9
193.12303	3.4
197.11771	5.3
199.13432	3.2
201.11263	79.7
202.11609	4.2
209.11864	3.2
213.11237	5.7
215.12816	4.1
227.12828	13.8
229.14330	8.3
235.13339	5.9
253.14494	4.7
263.20206	12.4
267.19629	3.1
289.18033	6.7
297.20648	8.8
307.19095	30.0
308.19739	3.1
325.20111	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76041	1.3
57.03313	5.2
59.26374	1.3
69.34470	14.5
72.17667	1.5
73.02809	1.9
83.04873	1.6
85.06502	1.2
90.30540	1.2
93.18545	1.4
94.16409	1.3
97.06421	1.8
107.24502	1.4
109.05144	1.5
111.08035	22.1
123.08012	2.5
123.59844	1.3
125.09618	31.6
127.11176	8.7
135.08072	2.9
137.09634	7.9
139.11220	2.0
139.12463	1.2
141.09100	2.3
142.73352	1.3
151.11206	4.0
153.09120	3.9
155.10699	3.6
164.08313	2.5
165.09100	3.3
171.10167	18.2
183.10153	1.9
195.10194	3.3
201.11261	81.1
202.11601	3.6
213.11272	67.6
214.11557	2.1
245.19043	2.1
268.93259	1.4
279.19891	1.3
289.18076	29.9
307.19159	61.7
308.19449	1.4
325.20193	100.0
326.20441	4.7
337.17575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
52.84346	2.2
52.85782	3.0
57.02230	2.4
57.03315	9.5
59.01249	15.2
69.03297	4.3
69.40170	24.7
71.01247	2.9
71.04875	6.3
73.02822	3.1
80.02572	3.9
83.04884	5.6
84.02041	5.8
95.04920	2.8
97.06457	9.4
109.39143	3.0
111.08035	8.4
113.09615	4.1
119.04918	37.2
120.05248	31.0
121.05408	10.3
123.07996	7.1
125.09621	60.0
126.09923	3.8
127.11165	9.4
127.83601	3.1
135.04387	4.7
135.07994	3.8
137.09619	39.4
142.34613	2.5
143.84561	2.8
153.09131	6.4
153.12788	16.0
155.10661	11.4
164.08360	2.7
167.14287	4.0
171.10185	39.3
172.10460	4.3
173.10794	2.5
177.09131	3.7
181.12286	3.5
183.01134	4.6
185.11713	3.7
187.09657	4.2
199.09558	3.4
201.11279	23.0
203.10745	3.8
209.11790	20.2
211.13264	3.8
213.11226	10.5
215.12764	10.0
219.10179	5.0
222.08562	7.7
223.08707	8.3
225.33838	2.7
227.12848	16.7
249.18552	4.6
275.20215	2.9
279.19580	2.9
281.21152	4.4
289.18085	15.1
291.19690	4.9
299.84113	2.6
307.15656	5.5
307.19098	100.0
307.22751	22.4
308.19391	9.9
325.13818	25.8
325.20016	34.6
325.23816	87.6
326.24210	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07226	1.0
57.03322	5.0
58.00462	1.9
59.01240	2.6
69.03332	1.1
69.95243	2.8
69.95657	3.8
73.02819	7.9
76.47107	0.9
83.04861	1.4
97.06471	11.6
99.30123	1.0
115.07528	1.1
123.08065	8.6
125.09616	100.0
126.09967	2.9
127.11185	4.8
137.09669	1.7
139.11139	1.6
141.09113	83.9
142.09465	2.7
149.45592	1.0
151.11221	1.3
153.12766	1.2
155.10693	4.5
165.09193	2.1
169.08626	2.9
171.10161	8.1
173.65642	1.0
174.14308	1.0
181.12305	1.1
183.10185	2.5
187.09689	11.9
197.11745	2.0
199.09702	2.1
199.13313	5.9
201.11258	73.6
202.11668	2.8
209.11876	1.5
213.11317	2.2
215.12778	1.9
227.12875	12.8
229.14458	2.8
245.19131	1.2
263.20154	8.1
267.19662	2.8
289.18155	2.8
297.20728	13.2
307.19125	21.7
308.19659	1.4
325.20206	14.3
344.79984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01758	1.7
57.03330	4.2
57.83143	1.2
59.01245	1.9
65.19755	1.2
70.69392	4.4
71.04881	3.1
80.02534	8.1
81.03344	1.9
83.04903	2.5
84.02043	8.8
95.04980	1.4
97.06473	12.7
111.08058	2.0
113.09631	3.6
119.08504	1.6
123.08063	8.1
124.08383	1.4
125.09610	86.5
126.09951	4.1
127.11163	5.7
135.04390	2.3
137.09622	43.5
138.09976	1.7
139.11150	1.5
141.09105	2.4
153.09081	6.1
155.10669	12.6
163.11165	1.5
164.08374	2.4
165.12756	1.4
169.08649	2.4
171.10179	10.6
177.09267	1.5
187.09673	4.4
201.11296	7.1
205.65677	1.6
209.11781	8.5
213.11264	4.6
227.12909	6.8
246.09622	1.6
250.12167	1.5
263.20334	2.5
279.19644	4.4
281.21143	2.4
289.18137	11.7
307.19131	100.0
308.19495	7.5
325.10992	1.7
325.20251	24.7
326.20300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97562	2.8
59.01249	100.0
59.10049	3.4
71.01278	7.6
71.12005	6.7
80.20680	3.4
101.02354	6.5
113.02403	3.3
119.04923	3.1
128.17160	3.2
161.04445	6.4
265.12897	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.1
57.03319	11.6
58.00461	4.3
59.01258	4.1
65.03829	5.6
67.01766	2.9
69.03323	9.2
70.55547	8.2
71.01244	4.3
71.04897	8.4
79.05404	3.7
80.02538	3.7
80.94080	2.6
81.03332	4.9
83.04882	23.1
84.02049	14.8
85.02813	7.0
85.06403	2.4
93.03323	3.6
95.04893	9.4
97.02838	7.2
97.06470	16.6
99.08044	3.2
104.08425	2.7
104.82175	2.6
106.04185	3.3
109.06485	10.0
110.03609	3.7
111.04415	6.3
111.08047	9.3
116.07076	6.7
119.04955	4.8
121.06490	5.3
123.08077	15.0
125.09626	21.1
127.07567	12.4
127.11131	3.0
135.08046	15.7
137.09610	5.6
141.09119	5.7
149.09654	4.8
151.11179	3.5
153.09132	34.2
155.10667	4.5
157.08621	4.5
157.70143	2.8
165.12756	2.9
171.10179	100.0
172.10498	4.3
177.12761	5.4
181.12233	3.6
183.10194	3.2
183.13907	3.1
185.11769	14.7
191.14391	3.7
193.12254	2.6
195.10219	10.5
197.11670	14.0
199.03783	3.0
201.11230	22.7
205.15842	2.8
209.09840	4.9
209.11781	49.6
210.06781	7.8
211.07564	10.0
211.13326	10.6
213.11256	15.6
216.79301	2.7
221.11633	2.3
223.13403	4.5
227.12849	3.4
235.13405	5.3
237.14967	8.6
239.12889	2.7
243.33398	2.6
245.19260	4.2
249.14955	7.8
255.06609	60.5
256.06873	5.0
267.16055	6.9
277.25787	2.5
289.18082	20.9
307.09875	12.0
307.19128	57.8
308.19431	4.1
325.10724	4.7
325.20193	88.4
326.20593	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1445
Annotation	Manuifolin H
Peak:m/z	Relative Intensity
65.03824	2.9
65.48518	0.5
67.01776	0.6
70.93899	1.1
70.94231	0.7
86.57581	0.5
91.05412	15.6
92.05718	0.5
93.03332	4.3
107.04899	2.6
108.02070	1.1
109.02842	12.9
109.06451	1.3
111.08018	2.6
115.56113	0.5
121.02844	32.2
122.03617	1.8
123.08099	1.2
125.09576	1.1
134.03632	7.1
135.04417	100.0
136.04724	2.8
147.04419	16.5
148.05235	5.2
153.09135	1.0
159.04442	1.5
159.11726	1.2
160.05214	1.0
166.02649	0.5
171.10187	5.3
173.06052	1.0
174.06654	0.6
177.09128	11.1
185.11745	1.1
188.08466	0.8
189.09149	24.0
190.09479	1.3
197.11858	1.5
201.11256	4.2
203.10713	64.5
204.11076	3.8
213.11174	0.9
214.15340	0.7
215.10748	6.1
289.18146	0.7
307.19220	0.9
325.14499	4.3
325.20200	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.7
65.03815	0.5
71.34782	0.5
76.54462	0.2
76.77750	0.2
93.03326	3.8
97.06472	0.3
99.89188	0.3
107.04919	0.9
109.02860	0.3
109.06459	1.0
111.08006	0.4
120.90282	0.3
121.02806	0.8
122.03651	2.1
123.08060	0.3
125.09611	1.9
127.11202	0.4
133.10088	0.3
135.04385	1.3
136.05208	4.4
137.09743	0.2
141.09093	0.3
149.02255	0.6
150.03133	1.0
155.10640	0.5
159.08055	1.3
160.08809	0.3
161.02336	0.5
163.03925	10.1
164.04701	18.7
165.04982	0.7
165.12740	0.3
171.10225	1.2
175.03923	6.4
175.11200	1.7
176.04620	0.9
177.09137	4.7
183.01097	0.4
196.03735	2.3
198.63828	0.3
201.09172	0.9
201.11243	2.2
203.07077	1.3
204.07707	0.3
209.11726	0.3
213.11227	0.7
219.10213	100.0
220.10558	7.3
221.08195	0.7
227.12767	1.0
231.10211	1.6
289.18097	0.7
293.21002	0.4
307.19165	1.7
307.22415	0.5
325.14453	20.3
325.20261	1.5
325.23846	1.9
326.14771	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1141
Annotation	beta-D-Galactosyl-(1->4)-L-rhamnose
Peak:m/z	Relative Intensity
51.65445	3.2
55.20440	3.0
59.01250	50.8
61.76952	3.3
70.73055	8.0
70.73379	3.4
71.01254	32.7
72.99182	9.1
73.02840	7.6
75.00745	46.7
77.29970	3.2
85.02833	12.4
89.02314	26.2
94.65865	3.2
95.01328	3.1
99.04390	8.1
101.02326	27.7
113.02348	15.2
114.96447	3.3
119.03413	8.4
145.04964	15.1
161.04478	8.0
163.06013	18.1
169.61624	3.8
181.07072	3.9
307.10410	5.7
325.11398	100.0
333.84756	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1081
Annotation	Moracin O
Peak:m/z	Relative Intensity
52.11618	0.5
53.48306	0.6
57.03328	0.6
59.01239	1.7
62.53622	0.6
69.39999	5.5
69.41689	0.5
71.01241	0.6
71.04902	1.6
79.95612	0.6
87.77235	0.7
96.95911	0.7
97.06444	0.8
98.19798	0.8
123.08042	1.2
171.10197	1.4
181.06470	0.8
183.04451	5.9
183.10158	1.1
184.05095	0.6
197.06041	1.7
199.07594	2.5
201.11259	0.8
207.04649	0.6
208.05356	0.6
209.06075	1.0
209.11702	0.9
211.04047	0.8
213.11197	0.6
221.05957	1.0
222.06717	1.0
223.04088	0.7
223.07582	4.9
225.05542	4.2
226.03145	0.7
227.12709	0.6
237.05620	0.7
239.10741	0.8
241.05028	1.2
247.07533	1.1
249.05672	1.3
253.05063	7.0
254.05737	1.4
255.06529	2.7
263.07153	0.8
263.10873	0.8
265.05078	1.3
265.08588	1.1
266.05560	1.1
267.06625	24.5
268.06964	1.4
286.04950	1.5
289.18015	1.2
291.06628	27.0
292.07092	3.6
295.06110	1.8
299.96924	0.5
305.08197	1.0
307.09763	42.2
307.19064	1.6
308.10178	3.4
309.07703	3.6
310.08347	1.4
325.10803	100.0
325.20032	8.2
326.11185	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1081
Annotation	R1128C
Peak:m/z	Relative Intensity
57.25401	1.8
69.23778	16.4
69.24190	5.1
73.59701	1.6
73.76530	1.5
85.02837	2.1
87.16670	2.2
95.01250	2.6
109.02832	9.7
111.08075	3.1
119.04905	2.5
121.02856	3.1
123.08083	3.1
125.09637	5.5
135.04410	5.5
135.08075	2.3
137.09627	2.3
149.05960	2.2
158.03603	3.0
161.02312	11.9
163.03897	2.5
171.10196	5.3
172.01595	4.3
172.05209	3.0
173.02161	1.8
173.05975	3.9
174.03131	2.2
176.01033	1.9
180.05664	3.5
183.04422	5.1
184.05138	2.9
185.02426	2.3
187.03938	2.6
187.07542	2.4
188.04649	2.6
197.06047	3.3
198.06691	2.9
199.03894	3.6
200.04752	2.1
201.05566	3.1
201.09351	2.3
201.11230	10.2
208.05267	4.4
211.03911	6.0
211.11230	2.6
212.04715	9.7
213.05383	4.9
213.11244	4.7
214.02635	4.3
214.06287	5.4
215.07138	4.5
216.07860	3.5
224.04770	13.0
225.05508	6.1
226.06154	5.6
227.03476	9.0
227.10704	3.1
227.12759	4.3
228.04248	3.5
235.11234	6.1
237.05670	2.3
237.09103	2.9
239.03418	2.1
239.10735	2.6
240.04433	2.9
241.05031	10.2
242.05792	9.6
253.05000	2.2
253.12314	6.9
255.10246	5.6
256.03741	48.0
257.04144	3.0
263.07077	2.1
263.10638	4.1
265.08472	2.6
269.04584	8.4
269.11996	4.3
270.05307	5.7
279.10306	21.7
280.10638	3.2
281.04556	2.5
281.11819	12.9
282.05420	3.2
283.09796	2.8
289.18115	3.8
297.11340	24.9
298.11676	3.2
307.09790	13.9
307.19165	11.4
325.10797	100.0
325.20129	11.3
326.10989	8.9
345.52991	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
55.08535	0.4
59.01239	1.2
69.41518	1.6
69.41956	1.8
71.01241	0.4
77.49990	0.4
93.03320	0.6
113.19872	0.4
114.01014	0.4
119.04915	100.0
119.61826	0.4
120.05254	3.9
135.04395	0.7
148.82590	0.4
163.03917	72.1
164.04247	3.4
193.14470	0.4
199.67520	0.4
227.42747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	5.7
59.01246	5.4
70.10667	10.9
72.92066	2.4
101.75523	2.5
111.08041	2.5
123.04385	5.7
123.08064	5.1
124.08401	3.8
125.09608	6.7
127.11161	2.8
137.09634	3.7
139.72824	2.6
153.09055	8.6
154.09435	3.4
171.10170	14.2
185.11748	2.8
195.13857	7.5
196.14175	9.8
198.11975	3.5
201.11301	7.7
213.11253	6.9
221.11751	5.0
222.12125	17.0
222.15820	2.8
227.12900	4.0
248.20988	3.6
253.14340	6.0
254.14746	21.9
262.22409	4.2
274.18890	3.4
291.19611	3.2
292.16876	4.6
292.20023	56.5
293.20172	3.9
306.21545	100.0
307.19141	8.6
307.22345	5.8
309.20465	4.4
324.19315	4.1
324.22604	96.4
325.14474	3.1
325.20001	8.2
325.23563	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11377	3.1
54.75093	3.4
57.03331	7.5
59.01250	23.0
61.43743	3.4
70.14932	8.6
70.15346	10.5
71.01245	10.3
71.04865	3.5
73.02798	3.8
83.04897	5.6
87.04352	5.8
89.02305	4.9
97.02893	3.5
97.06482	4.7
111.00640	3.8
119.04922	7.9
123.08010	9.7
125.09615	62.1
135.08075	5.0
137.09613	28.0
139.11198	18.5
153.09119	45.7
155.10678	94.2
165.09154	50.6
165.12560	3.6
168.88875	3.2
171.10194	13.0
175.09079	3.4
176.78586	3.6
183.01129	5.8
183.10191	100.0
183.11787	7.6
184.10539	4.7
185.11728	5.2
197.11787	16.8
213.11148	4.1
214.11926	7.7
215.12863	25.7
253.14429	4.2
265.05096	5.9
273.18661	5.7
291.19662	45.9
291.35309	4.0
295.71237	3.2
305.17627	8.3
305.21259	11.3
323.09390	4.6
323.12735	8.6
323.16870	33.9
323.22223	54.1
324.22440	6.3
325.73312	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60078	0.4
69.88721	2.1
75.46261	0.4
91.01745	0.3
97.96835	0.3
119.04919	100.0
119.08572	0.9
120.05256	4.5
127.26376	0.4
135.08110	0.5
143.04890	0.7
144.05699	0.5
145.02852	0.6
157.06471	2.6
159.08061	6.6
160.08435	0.4
171.10190	4.9
175.07611	0.5
175.67152	0.3
185.11801	0.3
203.07077	16.5
204.07442	1.1
209.11862	0.3
216.59686	0.3
221.08139	18.7
222.08482	1.5
229.19508	0.3
249.53008	0.4
273.18631	2.1
291.19601	3.3
305.21182	0.4
323.12875	36.3
324.13232	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65682	1.1
59.01236	1.2
69.16340	1.1
70.50577	4.4
87.72933	1.1
95.93124	1.3
107.08545	2.9
117.29623	1.3
119.08547	3.5
125.09550	1.3
137.09595	2.9
139.11145	2.9
151.11238	1.2
162.42953	1.2
167.10754	1.4
169.12207	1.1
171.10181	8.1
174.35791	1.5
186.08559	1.2
195.13945	1.5
199.13310	1.8
211.74757	1.2
213.11253	2.5
229.14371	2.6
229.19473	1.5
239.12892	2.3
247.20755	2.4
263.20178	2.4
273.18631	3.9
291.19659	34.1
292.19937	3.7
305.21466	2.9
308.19962	9.4
309.20453	1.5
323.22275	100.0
324.22574	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.66702	0.9
57.03322	2.6
69.03338	1.5
70.10470	4.1
71.04890	9.5
73.69401	1.0
85.36485	0.9
85.66271	1.0
85.81158	1.0
95.04896	1.6
97.06454	3.5
119.04910	1.2
119.08555	4.0
121.10132	16.3
123.08023	1.3
125.09608	10.5
135.08060	1.4
137.09607	15.3
141.12772	2.5
147.08067	1.9
148.08788	1.2
149.09651	6.9
151.11188	1.3
163.11195	1.1
171.10165	20.5
185.11760	19.1
195.13634	1.2
197.11725	5.5
209.11824	1.3
211.13309	2.0
217.15991	4.7
223.13347	1.3
226.30650	1.1
229.16953	1.1
263.20157	1.3
273.18549	6.8
290.01614	1.1
291.19659	100.0
292.19995	4.3
305.21246	31.4
323.22275	43.0
324.22687	2.0
329.05286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
66.49780	2.0
70.01555	11.7
70.01936	1.7
78.25153	2.1
119.08478	2.5
123.04408	8.6
123.08037	12.5
125.09599	2.8
127.00977	2.5
127.02106	1.7
137.09634	9.6
139.11166	8.4
149.09622	2.1
151.07559	3.5
152.08324	8.3
171.10173	10.4
177.12796	10.2
185.11827	2.2
195.13843	18.1
199.09779	1.8
211.13298	3.7
221.11772	34.6
221.15443	7.5
222.12213	3.4
239.69629	1.8
247.20593	5.2
253.14418	39.3
254.14966	5.1
273.18674	5.5
291.19656	82.4
292.20117	4.5
305.21246	21.7
308.19925	6.9
323.22250	100.0
324.22733	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.2
57.62186	1.0
58.06392	1.1
59.01252	10.4
59.16412	1.0
63.14930	1.0
65.03840	1.7
69.03326	4.5
69.53921	7.9
69.54341	2.9
71.01251	2.3
71.04897	6.1
73.02813	1.5
79.05390	7.0
80.02548	2.3
81.03326	2.3
83.04890	5.0
85.02799	1.4
89.02314	1.7
93.03362	1.6
95.04916	1.9
96.95860	2.2
97.06459	1.8
98.03619	11.8
105.06998	1.5
107.04926	2.5
109.06477	74.5
110.06809	3.2
111.04412	7.9
111.08051	1.3
112.05193	2.7
113.02336	1.3
119.04962	1.3
121.06490	1.5
121.10101	2.1
123.07909	1.1
127.07542	44.4
128.07909	2.0
133.10135	8.1
135.04398	4.8
135.08067	1.5
137.02335	1.6
139.94527	1.1
147.08020	2.7
149.09639	1.5
151.11246	5.9
165.09128	39.3
166.09488	2.0
173.04446	1.9
177.09126	27.7
178.09543	1.5
179.03333	1.6
183.10172	1.3
191.05551	1.5
193.08592	5.0
195.10199	100.0
196.10506	5.9
233.11798	3.6
243.17467	2.9
249.14955	2.6
285.14932	2.6
287.16516	38.5
288.17001	2.8
295.09628	1.2
305.17566	51.9
306.17981	5.0
323.09122	1.6
323.15186	1.3
323.18707	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.08108	0.9
57.03337	4.5
57.37053	0.8
58.00474	1.5
58.83319	0.8
59.01247	7.1
59.64877	0.9
67.40105	1.1
68.77216	0.9
69.03313	1.1
71.01250	2.8
73.02816	2.8
75.14432	0.9
80.02552	4.2
81.03329	1.5
83.04885	2.0
85.02818	2.1
87.04399	2.0
93.03314	2.0
95.04896	1.8
96.95910	1.1
97.02829	1.4
97.06470	3.7
101.02329	1.1
106.04152	2.1
107.04916	4.2
109.06477	77.2
110.06789	2.8
111.08047	1.0
113.02319	1.0
119.04974	1.2
121.06467	6.0
123.08051	31.6
124.08379	0.9
125.05996	2.2
125.09623	20.3
127.11172	11.6
135.04395	2.7
135.08067	7.3
137.09622	2.9
137.41882	0.9
139.11229	1.5
141.09105	4.0
143.10652	1.0
151.07491	1.9
151.11168	4.2
153.09087	6.4
155.10664	4.7
161.02412	1.2
161.05997	3.9
165.09096	3.8
167.10735	1.4
169.12245	1.7
171.10202	10.1
173.04500	1.4
177.09123	1.6
179.03400	1.2
183.10211	2.0
185.11740	1.9
187.09592	2.0
191.05580	1.4
195.10213	5.7
198.99736	0.9
199.09686	15.7
199.13347	1.0
200.10339	2.6
201.11263	100.0
202.11592	3.8
213.11267	90.0
214.11633	5.1
236.40790	1.1
243.17497	2.3
261.09085	1.3
261.18613	1.4
269.15451	1.9
269.53821	0.9
277.18060	1.2
287.16522	84.9
288.16837	9.4
303.31091	1.1
305.17609	28.2
306.17972	3.3
323.09247	7.8
323.18619	89.7
324.09735	1.3
324.18832	8.4
342.71567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.4
59.01255	5.3
71.04892	100.0
72.05221	3.7
80.02585	4.1
81.03331	10.7
83.04884	5.8
87.42532	2.9
95.01327	3.6
95.04895	27.7
97.06499	3.9
98.20554	7.5
109.02842	18.4
109.06478	12.7
110.03635	6.6
111.04416	10.0
121.06506	7.3
123.04388	5.2
123.08092	7.6
125.09634	4.9
133.06470	19.7
135.08026	5.4
151.07559	29.7
165.09145	6.9
165.12761	5.2
171.10182	42.8
189.12756	12.5
195.13855	3.9
205.16074	4.1
211.13438	6.5
233.11707	4.8
243.17453	19.6
249.14934	14.4
287.16531	67.8
288.16843	11.0
305.17578	32.5
323.18741	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	8.9
59.01244	6.6
64.56782	3.2
69.03331	3.6
70.33059	5.3
70.33441	7.4
71.01278	4.6
71.04890	11.0
80.02554	6.9
81.03323	4.1
83.01278	6.6
83.04892	7.0
85.02827	3.3
93.03327	3.2
95.04906	28.2
97.02814	3.7
97.06484	12.3
99.00333	2.9
109.06485	55.9
111.25946	3.1
113.05972	4.8
121.02839	3.5
121.06483	7.2
123.08074	25.1
125.06009	4.8
125.09615	66.0
127.11159	9.0
127.29186	3.1
133.06483	4.0
135.08043	32.2
141.09160	3.0
147.04459	3.8
148.13139	3.0
149.09668	3.2
151.07539	8.3
153.09084	14.9
161.06021	4.7
163.11244	4.2
164.06776	2.8
165.09163	4.2
165.12758	3.0
171.10170	43.1
185.11771	8.8
187.09714	3.6
199.09660	8.7
201.11256	92.5
209.11816	24.9
213.11259	52.5
215.12964	3.3
243.17448	8.4
247.13495	4.6
249.14842	5.1
250.12119	3.7
265.14383	9.2
270.03940	3.5
287.16525	52.4
288.16873	5.5
305.17612	59.0
306.18063	4.4
323.09021	3.9
323.18625	100.0
324.19025	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
55.95296	1.4
57.03320	3.4
59.01251	4.4
60.56324	1.5
64.22652	1.3
65.03835	12.6
69.27362	7.8
69.27795	8.4
71.04905	9.8
73.02796	1.9
79.76881	1.4
81.03350	4.6
83.04907	13.6
85.47331	1.4
90.71408	1.7
93.06980	12.7
95.04897	3.0
97.06474	2.6
98.20583	3.7
108.02026	3.1
109.06488	3.6
110.03606	3.0
111.04380	1.7
111.08066	2.3
121.02860	3.2
121.06483	29.0
122.03655	6.0
123.08029	2.1
125.09621	4.7
135.08153	1.7
139.07549	7.2
139.11208	14.3
155.10721	2.8
162.06841	2.1
183.10178	4.7
187.09689	1.9
187.62968	1.8
205.15881	1.9
207.13927	2.6
209.11736	8.6
213.11327	3.7
223.13452	2.0
227.12851	36.4
228.13113	2.4
231.13902	2.4
233.09462	3.7
233.11798	65.5
234.12119	5.1
249.14955	17.4
251.12892	52.6
251.15543	2.1
252.13231	2.3
279.19574	12.6
287.16547	20.5
288.16861	2.4
301.17065	1.8
305.17587	100.0
306.17926	10.6
323.18521	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.3
57.03319	6.7
59.01247	5.7
67.04294	2.1
69.03349	2.5
69.87180	6.8
69.87586	3.9
71.04894	9.8
72.75468	1.6
80.02541	2.6
81.03334	6.9
83.01263	16.5
83.04889	8.8
84.71263	1.7
93.03336	5.8
95.04913	28.7
97.02836	4.3
97.06475	15.5
99.04413	2.3
106.04133	3.0
107.04919	3.8
109.06446	5.2
109.27739	1.9
111.07977	2.3
111.69291	2.0
113.05973	5.4
119.04914	39.5
121.02833	2.9
121.06451	3.9
123.04398	11.2
123.08058	8.1
125.05967	4.5
125.09624	27.3
129.84892	1.9
135.08055	16.6
137.05952	3.0
141.12784	2.4
149.09627	3.0
153.09172	3.2
159.08038	4.9
161.09590	3.1
163.11195	11.4
165.12753	4.2
167.10718	4.1
171.10165	4.1
177.12738	1.9
181.12334	2.8
185.11761	22.5
189.12735	2.5
191.05527	2.7
191.10722	7.3
197.11691	2.1
199.09651	2.2
199.13312	5.5
203.07036	6.5
203.14368	5.7
209.11772	100.0
210.12073	5.3
211.13324	3.9
221.08145	9.5
221.11760	4.7
223.13286	3.5
233.11855	3.8
235.13487	2.2
237.14900	6.1
243.17522	6.6
247.13374	6.0
249.14909	4.2
265.14432	24.3
279.19638	2.3
287.16565	11.7
288.16983	1.9
305.17651	19.4
323.12918	13.5
323.18594	46.7
324.13101	4.0
324.18732	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62901	0.3
59.01250	1.0
70.61977	0.5
70.62349	0.8
71.01244	0.6
93.03339	5.0
101.02341	0.3
119.04919	100.0
120.05256	3.6
139.11227	0.3
159.04440	0.4
160.62614	0.3
171.10243	0.5
191.10797	0.4
201.09142	0.6
247.20950	0.3
253.08617	0.4
265.05029	0.5
291.19595	0.8
305.17557	0.5
305.21039	0.4
323.12793	0.7
323.16739	1.0
323.22198	1.3
323.25464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96092	1.4
57.03330	4.9
59.01255	3.7
70.02112	7.9
71.04894	23.4
73.02835	1.5
81.03342	3.7
83.04903	5.1
93.03365	2.4
95.04904	46.6
97.02746	1.6
97.06474	8.2
107.04929	3.6
109.06472	28.9
115.26281	1.5
121.06448	1.9
123.08052	2.2
125.09616	5.7
127.11177	1.8
133.06506	2.7
135.08008	8.5
146.32478	1.5
151.07564	9.8
151.11234	4.0
171.10185	100.0
172.10472	4.0
177.12769	5.0
185.11807	2.4
189.12714	7.6
191.05550	3.4
193.12184	2.1
201.11301	2.8
209.11694	7.2
233.11842	11.8
235.13272	1.7
249.14926	26.5
254.03566	1.8
263.16489	4.3
287.16556	4.6
305.17584	17.6
323.09247	13.9
323.18704	6.2
324.09421	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96241	1.1
59.01250	100.0
60.01590	1.1
65.90147	1.3
67.05807	1.0
69.73981	7.9
71.01240	8.6
71.04909	1.1
71.68382	1.0
73.02818	1.7
83.01310	1.2
85.02843	2.3
89.02311	2.5
101.02335	4.8
101.05962	2.1
106.14745	1.1
113.02291	2.6
131.81746	1.1
159.38031	1.0
161.04448	4.9
198.77580	1.1
245.34268	1.2
263.11429	2.3
323.13330	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44208	2.0
55.01743	2.4
58.00460	5.2
59.01252	100.0
68.02170	1.9
71.01254	64.8
72.99185	8.2
73.02803	2.4
81.32747	1.7
83.01232	4.1
85.02825	15.4
87.00759	4.0
89.02319	62.4
93.03355	3.4
95.01266	5.4
99.04407	2.6
101.02322	46.0
107.04893	1.8
112.98686	7.2
113.02300	22.6
113.99460	6.3
115.47478	2.2
119.03393	33.9
128.11705	1.9
131.03381	2.3
133.02856	2.8
135.04445	3.8
137.02283	2.5
143.03362	4.5
149.02353	2.1
149.04507	2.0
151.03914	5.1
161.02325	11.8
161.04443	4.1
173.04480	2.6
177.01849	7.6
179.03391	12.7
179.05571	3.5
191.05592	3.0
194.05783	9.4
195.02917	1.8
209.08121	20.2
281.79254	2.0
323.07532	4.0
323.13489	91.1
324.13782	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1288
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
53.82668	0.2
65.03847	0.3
70.44651	1.1
82.65988	0.3
93.03343	0.8
107.04914	0.3
119.04913	100.0
120.05249	3.9
135.08047	0.3
136.01607	0.4
143.04932	1.0
144.05728	0.7
145.02837	0.8
157.06509	3.3
159.08070	7.4
171.10182	4.9
175.07574	0.5
185.11777	0.4
187.03905	0.5
194.02243	0.3
201.05508	0.6
203.07069	17.6
204.07451	0.9
217.08669	0.6
221.08138	19.9
222.08543	1.3
229.19545	0.7
253.05225	0.3
273.18680	2.2
291.19647	2.8
305.21240	0.4
323.12872	37.1
324.13184	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93554	4.4
56.15615	4.3
57.65162	3.7
59.01254	100.0
64.55678	3.6
68.40666	3.2
71.01252	39.3
71.57205	6.2
78.77166	3.7
81.54272	4.1
85.02843	12.6
87.00742	3.8
89.02322	37.5
99.00747	3.9
99.04393	12.3
101.02341	33.2
113.02336	13.5
119.03392	19.8
131.65717	4.8
143.03395	6.1
159.63622	3.9
161.04485	4.5
303.26877	4.5
323.02148	5.0
323.09760	7.4
323.13358	46.1
324.13806	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38879	0.3
57.03320	0.2
57.46866	0.2
59.01237	1.0
59.31433	0.3
64.12511	0.3
65.03819	0.4
67.01752	0.3
71.01241	0.6
71.04878	0.5
73.95164	0.3
87.00762	0.3
92.94186	0.3
93.03322	0.5
95.04932	0.4
96.95892	0.4
97.06437	0.3
98.19768	0.7
109.02845	2.4
113.02357	0.3
119.08601	0.5
121.02849	5.5
121.10094	0.6
123.96932	0.3
125.09595	0.5
137.09607	1.1
139.11218	0.4
163.07561	0.5
164.13605	0.3
165.06975	0.5
167.04939	0.4
170.89644	0.3
171.10167	1.2
181.06499	0.9
183.04431	0.3
185.06070	1.0
185.11763	0.9
186.06784	14.5
187.07126	0.8
193.06500	1.2
195.04425	0.5
197.05968	1.0
201.11241	0.4
207.08224	0.4
208.05103	0.7
209.06021	3.6
210.06319	0.6
211.03931	0.5
220.05283	0.8
221.06042	2.0
223.03975	0.5
223.07655	1.5
223.11133	0.3
225.05510	1.3
231.08118	1.8
236.04765	1.2
237.05501	3.2
240.04216	0.4
247.07675	0.4
249.09254	1.4
251.07144	2.7
252.07571	0.4
253.05051	5.4
255.06471	0.4
263.03510	0.4
263.10806	0.9
264.04248	5.6
265.05045	91.2
266.05414	7.2
268.07410	0.5
273.18649	0.7
275.07138	5.8
276.07660	0.9
277.05206	0.4
278.05899	0.5
279.19785	0.5
291.06653	2.1
291.10236	0.8
291.19638	4.2
293.08212	11.8
294.08508	0.9
305.17883	0.6
305.21222	2.6
307.09744	1.9
308.10428	0.7
323.12875	100.0
323.22287	2.5
324.09546	0.6
324.13223	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1285
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
57.03304	1.8
59.01241	6.6
65.03825	5.7
67.01746	3.4
68.41962	1.1
69.87527	6.7
71.01244	1.4
71.04889	6.7
73.02821	1.6
79.05412	2.9
80.02541	1.7
81.03304	2.4
83.04900	2.0
85.02838	1.1
86.43700	1.1
89.03843	1.5
91.05382	3.8
93.03318	3.6
95.04887	4.4
95.07913	1.1
96.95885	5.8
97.06454	4.8
107.04889	5.4
108.02024	5.0
109.02839	53.6
109.06462	5.3
119.04916	8.6
119.08548	3.6
121.02842	79.1
121.06419	1.5
121.10074	2.7
122.03617	3.8
123.04405	10.3
123.08018	5.8
125.09598	16.2
127.11123	1.7
133.02849	66.8
133.10146	1.4
135.04420	12.2
135.08005	5.9
137.09631	20.5
139.07503	1.4
139.11153	1.3
141.07060	1.6
145.02925	2.1
146.03630	16.4
147.04378	2.0
148.01541	2.0
149.09612	2.5
151.07533	2.2
151.11147	1.6
153.09082	2.9
157.10056	1.3
159.04384	2.1
161.05978	1.6
166.02647	1.9
171.04306	1.3
171.10182	26.8
173.05885	1.3
174.06505	1.1
175.07553	2.7
177.09119	18.7
178.02608	7.1
183.04356	1.2
185.05974	2.5
185.11732	3.4
187.07664	1.4
187.09666	4.9
189.07442	2.2
189.09143	37.3
190.09589	1.4
197.06052	1.7
201.09183	61.5
201.11172	10.7
202.09480	3.8
209.05984	2.0
209.11725	2.2
211.04041	1.5
211.13417	1.6
217.15900	2.7
223.07483	1.3
225.05515	3.0
225.11244	1.5
235.07553	2.2
237.05540	2.8
253.05040	11.0
254.05702	4.5
265.04990	3.6
267.06516	3.5
273.18527	3.2
279.06561	3.3
279.09677	1.3
279.13794	2.9
279.19662	8.0
280.07150	1.7
291.19730	13.1
295.09656	3.6
305.17477	8.5
305.21161	24.1
323.09277	12.6
323.12814	100.0
323.18488	7.1
323.22198	19.1
324.09848	1.7
324.13211	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01252	10.5
70.71518	0.9
71.01251	6.7
72.99182	0.5
73.02831	0.5
83.01248	0.4
85.02815	1.3
87.00795	0.4
89.02317	6.4
95.01218	0.4
96.95893	0.5
99.02675	2.0
99.04395	100.0
100.04717	2.0
101.02319	3.2
108.11905	0.3
113.02332	2.2
118.41561	0.3
119.03387	2.7
131.03416	0.3
135.04465	0.5
140.72362	0.4
143.03406	22.0
144.03772	0.8
159.02841	0.4
161.04445	0.9
173.04295	0.3
179.05562	1.7
179.06943	0.4
188.49780	0.3
263.11020	0.4
281.12506	0.6
323.09924	3.2
323.13455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97052	0.8
59.01252	12.2
63.74594	0.7
69.52205	4.2
69.52632	2.2
71.01251	7.0
72.99158	0.9
73.50838	0.7
81.09660	0.7
83.01228	0.8
85.02810	1.3
89.02322	7.0
95.93774	0.7
99.04395	100.0
100.04722	2.0
100.98463	0.9
101.02317	3.5
113.02322	3.2
119.03407	3.3
119.70933	0.8
130.94507	0.9
143.03400	23.3
161.04468	1.6
179.05478	2.5
216.60579	0.8
237.05540	0.7
323.09827	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
57.03312	0.6
58.00460	0.7
59.01252	19.9
71.01254	8.9
71.01663	0.3
71.56167	0.3
72.99172	0.7
73.02811	0.9
76.28304	0.2
78.95787	0.8
83.01259	0.6
85.02817	1.4
87.00763	0.5
89.02316	7.2
90.02637	0.2
90.31042	0.2
95.01270	0.6
96.96878	0.3
99.04397	100.0
100.04722	2.2
101.02321	4.2
111.00754	0.3
111.01924	0.3
113.02326	3.0
115.07539	0.3
117.05461	0.2
119.03389	3.1
131.03369	0.5
143.03406	18.7
143.07037	0.8
144.03790	0.4
149.04434	0.2
157.65160	0.2
161.04486	1.2
161.08078	0.8
179.05527	1.9
202.33009	0.2
211.00081	0.7
262.39975	0.2
288.74948	0.2
323.04230	0.3
323.09796	4.2
323.13513	3.6
324.13724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2021
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03332	0.4
58.02855	1.8
59.01239	0.9
71.04904	0.5
76.54638	0.2
81.03324	0.8
82.80579	0.3
83.04916	0.8
85.02827	0.8
85.73096	0.3
85.80416	0.2
93.03332	1.2
95.04899	1.6
96.05222	0.4
97.06482	0.8
101.61803	0.3
105.62863	0.3
108.02065	0.3
109.06473	1.2
111.04396	0.3
119.04944	0.5
121.06470	0.4
123.04443	0.3
123.08031	0.9
125.09647	1.5
126.09965	0.4
127.11222	0.5
128.10706	6.3
130.08629	100.0
131.08984	2.9
135.08069	0.3
136.84370	0.2
137.02307	0.4
151.07550	0.9
152.07904	0.4
160.01463	0.3
165.12755	0.9
171.10188	1.3
172.09662	0.3
173.04472	1.0
175.53566	0.4
191.05519	4.3
194.29576	0.2
199.09694	0.4
201.11256	4.8
203.07100	0.4
209.11731	0.4
221.11855	0.4
235.11440	0.4
248.13345	0.3
249.90216	0.3
263.06964	0.3
266.15057	0.3
281.11710	0.3
287.16562	0.8
305.17545	2.1
322.20261	24.0
323.18579	1.7
323.20688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.1
56.91481	0.1
57.03319	2.5
59.01237	0.9
65.03834	0.3
67.01754	0.4
67.05401	0.2
69.03327	1.3
70.17651	0.3
70.18054	0.2
71.01247	0.7
71.04889	7.9
73.02821	0.4
79.05405	0.2
80.02538	0.4
81.03326	0.8
83.04900	1.0
85.02827	0.5
85.06470	0.6
87.00751	0.2
91.05402	0.2
93.03336	1.6
93.06973	1.6
95.04915	1.3
97.02818	0.2
97.06470	3.5
99.32979	0.1
106.04140	0.4
107.04902	0.7
107.08560	0.2
109.02810	0.4
109.06485	0.7
110.03654	0.1
111.04428	0.3
111.08041	1.1
119.04943	1.0
119.08550	4.2
121.02839	0.3
121.06480	0.5
121.10119	18.0
123.04407	0.3
123.08040	2.3
125.05934	0.2
125.09611	12.4
127.07542	0.6
127.11199	0.6
131.08516	0.1
133.02888	0.5
133.06474	0.2
134.03595	0.3
134.07317	0.3
135.04405	1.8
135.08038	1.3
136.05173	0.2
136.08868	0.4
137.02335	0.3
137.09622	17.7
138.06737	0.3
139.11185	0.5
141.12735	1.7
142.29482	0.1
145.06509	0.2
147.08044	2.0
148.01532	0.4
148.08836	1.8
149.09630	6.4
151.07599	0.2
151.11201	1.4
153.09125	0.2
153.12782	0.2
154.86838	0.1
161.02361	0.2
161.09590	0.2
163.11200	2.6
165.09119	0.5
165.12741	1.1
166.09895	0.2
167.10645	0.2
167.14333	0.4
169.08624	0.2
171.10181	23.8
173.04486	1.0
175.11198	0.4
175.14853	0.2
175.53561	0.9
176.03931	3.0
176.54115	0.2
177.12646	0.6
178.02548	0.3
179.03426	1.6
179.10661	0.4
179.14297	0.3
180.03780	0.2
180.11459	0.4
181.12251	0.5
183.10187	0.2
185.11752	19.6
186.98856	0.1
187.09682	0.2
189.12848	0.6
191.05550	2.5
191.14304	0.7
192.05794	0.2
193.15988	0.3
195.10240	0.1
195.13869	0.2
197.11755	4.8
199.13321	0.4
201.11223	0.3
203.14371	0.2
205.15933	0.3
207.10181	0.9
207.13884	0.4
209.11754	2.3
211.13326	2.9
213.14893	0.2
215.14513	0.2
217.15921	4.2
219.13849	0.2
219.17323	0.2
223.13312	1.3
229.19510	1.1
231.17531	0.3
235.16911	0.7
239.12813	1.4
240.13625	0.2
245.19049	0.3
247.13402	0.8
247.20628	1.7
249.18553	0.8
255.17574	0.3
261.18463	0.1
261.22400	0.2
263.20059	0.6
265.18106	0.1
273.18588	6.8
275.16647	0.1
279.19632	0.2
289.18222	0.6
291.19647	100.0
293.21179	0.7
294.21423	0.1
295.09778	0.3
304.16284	0.2
305.21207	33.0
322.08142	0.4
322.14145	0.2
322.17609	0.4
323.09564	1.1
323.22253	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
55.87804	1.0
57.03309	1.2
59.01261	2.0
61.95508	1.0
70.25838	1.1
71.15869	1.5
71.16246	0.8
71.16374	0.8
78.95782	2.8
80.96391	3.0
81.03353	1.4
95.04922	1.5
109.06470	2.2
111.08067	2.2
113.09600	1.3
119.04902	1.2
125.09646	1.6
137.05997	1.4
137.09595	1.7
150.10918	1.3
195.13857	1.1
199.13268	1.7
207.17549	2.1
215.61845	1.1
223.17004	16.4
224.17606	1.9
233.15645	1.5
239.16559	1.1
243.10414	1.0
245.18889	2.5
248.07494	1.0
251.16496	14.8
252.16971	1.9
256.16711	4.7
284.16287	3.9
289.18100	23.9
290.18472	3.0
302.60059	1.2
303.16040	2.1
303.23309	13.5
321.16846	6.9
321.20712	23.6
321.24335	100.0
322.21194	2.4
322.24713	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2434
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
50.17217	1.2
54.46096	1.2
54.52858	1.5
57.54160	1.5
59.01265	2.4
69.03337	2.3
71.04878	1.6
78.95775	23.3
80.96392	3.7
84.67612	1.6
87.40762	1.3
97.06522	1.5
98.20628	3.5
119.04956	2.4
121.10124	21.3
183.13908	6.1
199.13324	32.5
200.13840	1.9
209.09448	1.8
211.13341	76.0
212.13762	3.8
230.45027	2.5
303.23288	60.9
304.23749	4.6
321.16748	3.1
321.24463	100.0
322.24835	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49183	1.9
57.03310	3.7
59.01229	3.6
60.06323	2.1
71.04889	3.7
71.49796	3.4
71.50114	1.9
77.94958	2.3
81.03326	8.0
83.04915	3.4
95.01240	4.6
95.04897	4.5
97.02833	62.5
97.06480	4.3
99.08040	19.3
108.02038	7.8
109.06461	8.0
111.04422	2.3
111.08035	3.0
123.04410	13.7
123.08045	3.4
131.74954	2.0
136.05249	2.4
137.05997	24.4
138.06796	18.2
139.07477	2.7
149.06049	2.4
149.09613	5.6
151.11209	11.1
153.12759	2.1
177.09155	2.3
177.12671	3.0
188.04773	2.0
189.09135	3.0
191.10576	2.5
205.12277	5.2
207.13924	10.3
223.13306	4.0
233.11725	2.1
233.15442	5.4
243.03239	2.3
245.19023	12.7
259.60873	1.8
262.15753	1.8
262.18954	2.4
265.14429	7.4
266.15125	12.0
271.17090	2.6
289.14691	3.6
289.18097	68.7
290.18518	5.9
303.16119	2.6
303.19635	7.5
306.18369	11.8
321.17203	4.7
321.20685	100.0
322.21078	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91250	1.3
59.01245	1.6
59.35565	1.3
69.03352	1.5
71.04893	29.2
71.06618	1.9
72.64184	1.3
73.48505	1.3
81.03314	5.7
83.04879	3.6
95.04895	3.6
97.06485	3.3
98.57983	1.3
107.04819	1.3
109.02813	5.9
109.06479	9.4
110.03611	1.7
111.04408	60.9
111.08027	4.7
112.04692	1.7
123.08064	2.1
127.07545	8.0
137.06009	10.2
137.09587	4.1
141.09125	4.0
149.05972	2.1
149.09628	9.6
151.07533	4.0
159.11664	3.3
163.11217	1.9
167.10742	1.6
169.12427	1.3
177.12772	34.3
178.13100	2.7
190.41420	1.5
191.14325	4.6
195.13834	6.2
233.15323	4.5
235.13388	8.5
245.19098	3.4
249.14923	5.2
265.17764	1.7
271.16986	1.9
275.91623	1.6
276.01987	1.3
288.17160	2.5
289.18137	22.5
290.18567	1.6
292.16711	2.4
303.19589	4.2
306.18509	4.6
321.20697	100.0
322.21103	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.5
59.32576	1.1
59.74045	1.2
64.12746	1.3
71.04893	100.0
72.05222	1.3
73.02815	2.2
73.74920	1.2
81.03347	5.6
83.04911	2.0
84.24005	1.2
93.03325	1.7
95.04903	3.6
97.06454	4.1
107.04898	1.3
109.06483	4.6
121.06510	2.5
122.68360	1.1
122.86086	1.0
123.08042	1.6
125.09664	1.9
133.29221	1.1
137.05984	3.1
149.09630	1.1
151.11205	13.0
177.09126	1.3
191.14343	4.0
193.12231	3.2
194.37727	1.1
217.12263	2.4
225.14981	3.7
233.15424	9.2
235.13260	2.8
237.14886	3.2
249.14975	8.8
265.18042	7.0
289.18146	9.4
290.18292	1.5
303.16077	1.3
306.18375	16.5
321.17517	2.1
321.20694	51.9
322.21024	4.9
324.80618	1.4
332.29639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	Rapanone
Peak:m/z	Relative Intensity
50.25965	0.8
52.69046	1.0
57.03323	2.1
59.01249	4.1
65.03819	0.8
67.05399	0.9
69.03335	0.8
70.03767	4.4
71.01270	1.1
71.04890	10.6
73.02804	1.0
73.58675	0.8
79.66951	1.1
81.03333	3.1
83.04903	3.2
85.06448	3.0
93.03333	5.5
95.00702	0.8
95.01258	2.8
95.04906	4.3
97.02827	1.6
97.06457	4.3
98.20541	1.1
99.08030	10.6
101.05964	4.7
107.04877	1.7
108.02057	1.3
109.06478	5.8
110.71410	0.9
111.04397	1.4
111.08033	3.8
116.75103	0.8
117.88372	0.8
119.04874	0.8
121.02832	1.8
123.00663	0.8
123.04395	1.6
123.08023	2.2
125.05954	1.4
125.09624	5.6
127.07529	5.0
133.10051	1.5
135.04387	3.2
135.08043	1.6
136.05095	0.9
137.05966	2.7
137.09605	3.6
140.08310	2.1
141.09131	4.3
149.05966	2.3
149.09656	4.3
151.07562	5.6
151.11182	2.7
153.09099	1.4
159.11707	2.0
163.11165	2.5
167.10678	1.8
171.10268	1.9
175.11140	1.4
176.03976	1.2
177.09172	5.8
177.12778	9.2
187.11180	4.0
191.10643	1.0
191.14244	0.9
192.11455	1.9
193.12248	1.6
195.13788	2.1
201.06221	0.9
203.10736	1.6
205.12279	4.3
226.78273	1.0
233.15504	1.9
237.14845	1.1
245.19106	8.6
255.19009	1.0
261.18549	3.7
265.14429	3.5
265.17874	1.1
268.97641	1.1
271.17026	10.0
289.18094	51.7
290.18481	2.9
293.21143	2.7
303.15866	2.9
303.19638	6.8
306.18338	7.6
321.17084	9.4
321.20660	100.0
322.21027	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1708
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.73261	0.9
53.90757	0.9
57.03320	1.0
59.01257	2.8
64.25997	1.2
69.42236	6.1
69.42648	2.6
71.01263	1.1
71.04890	3.9
73.02814	1.5
80.02541	1.8
81.03325	14.8
83.04867	2.4
88.67281	1.0
95.04890	3.5
96.95900	4.6
98.20525	1.6
107.04897	2.1
108.02089	1.7
109.06481	30.8
119.04958	2.8
121.02813	2.6
121.06445	1.4
122.03623	2.1
123.04372	1.8
123.08069	2.3
125.09606	4.0
135.04462	4.9
136.01524	1.4
136.05186	4.2
137.05983	15.6
139.11163	9.4
144.30179	0.9
149.05998	2.8
151.07565	3.4
171.10153	1.2
178.06198	1.1
182.41347	1.0
183.10152	3.5
193.15944	1.2
201.11284	2.9
203.14447	1.8
205.12262	1.8
213.11224	1.2
219.13748	1.0
221.15468	2.3
227.12840	1.4
231.10167	1.9
237.14728	1.2
247.13432	6.1
249.11290	1.9
259.17105	1.3
265.14438	33.7
265.17328	2.2
266.14706	3.2
275.16595	1.3
277.18149	1.7
285.14978	4.3
303.15997	35.3
303.75037	1.2
304.16400	2.8
321.17068	100.0
321.20422	4.7
322.17404	9.2
322.23718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1705
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.46654	1.1
56.39003	1.0
57.03321	2.2
59.01270	4.9
67.05418	1.1
67.75350	1.0
69.03329	2.2
70.03976	5.3
71.01251	1.8
71.04884	8.1
73.02824	2.8
76.61299	1.1
81.03329	6.0
83.04892	2.3
93.03353	4.0
95.04893	9.5
96.95893	3.9
97.06470	20.2
100.55406	1.0
105.06894	1.0
107.04940	3.4
108.02111	1.0
109.02773	1.4
109.06477	10.9
110.03606	1.3
111.04411	3.9
111.08072	1.6
119.04908	2.1
121.02844	2.7
121.06504	6.2
122.03651	2.2
123.04443	1.8
123.08050	27.3
125.09628	18.6
133.06493	3.8
135.04436	3.2
135.08083	1.9
137.02374	1.5
137.06017	6.8
139.11214	3.3
141.09131	1.7
149.05971	2.7
149.09636	3.3
151.07584	9.4
151.11194	4.1
160.05185	4.5
161.09651	3.5
167.10709	1.9
171.10211	2.2
175.11185	2.3
177.09071	1.4
177.12743	1.9
179.10637	4.9
183.10110	1.4
187.09702	2.4
187.11258	2.5
191.05367	1.1
195.10201	1.6
201.11230	1.7
203.14384	5.9
205.08661	1.3
205.12282	3.7
213.11201	6.9
219.13844	1.2
223.09709	9.8
231.10188	2.1
237.11302	3.7
237.14984	1.8
247.13353	3.7
248.28255	1.0
249.11313	2.5
259.17056	1.8
265.14423	14.7
275.16116	1.1
277.18134	1.2
285.14990	8.4
289.18100	4.4
293.17560	2.3
303.16000	19.9
321.17084	100.0
321.20581	6.3
322.17316	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95493	1.0
53.88175	1.1
57.03326	1.8
59.01255	1.9
70.87066	2.3
71.04890	3.0
80.02567	1.7
81.03333	11.2
81.98213	1.0
83.04869	1.2
85.71786	1.1
90.90102	1.0
93.03339	1.3
93.06985	1.4
95.04907	2.3
96.95895	2.4
97.06464	1.5
98.68838	0.9
108.02058	1.2
109.06479	36.5
119.04920	3.0
121.02814	2.0
121.06518	1.8
122.03614	3.4
123.04454	1.4
125.09616	2.5
127.85731	0.9
131.86322	1.0
133.06523	1.1
135.04393	4.9
136.01532	2.3
136.05177	4.0
137.05994	18.0
137.09613	1.7
139.11176	9.3
149.05916	2.1
149.09610	1.4
151.07541	1.6
164.04669	1.3
183.10204	3.2
191.10846	1.7
201.11290	3.2
203.14334	1.7
205.12282	1.8
219.13829	2.1
221.15489	1.6
223.13324	1.2
227.12827	3.0
231.10318	1.4
247.13452	6.8
249.11319	1.6
251.12990	1.2
265.14435	32.8
265.17252	1.8
266.14822	1.2
275.16519	1.1
277.18073	2.5
278.18375	1.0
285.14944	3.7
303.16010	33.9
304.16330	2.7
321.17062	100.0
322.17566	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
54.65764	1.1
57.03325	6.0
59.01239	1.5
64.33163	1.0
64.34203	0.9
65.03851	1.3
65.49863	1.0
69.03326	3.1
71.01274	1.8
71.04895	13.2
71.50118	2.7
73.02817	3.5
80.02557	3.1
81.03334	11.6
83.04909	5.8
83.26459	1.0
85.02862	1.0
93.03327	8.8
95.01265	1.4
95.04901	72.7
96.05222	1.9
97.06473	9.7
106.04169	1.4
107.04902	14.1
108.02053	1.7
109.02843	2.6
109.06474	21.4
111.04404	15.2
111.08070	3.0
114.34947	1.2
119.04863	1.3
121.02865	8.7
121.06495	5.8
122.03638	3.8
123.04404	4.5
123.08047	9.1
125.09612	58.5
126.09965	2.6
133.06506	1.6
135.04419	13.7
136.05217	2.3
137.02303	1.5
137.05984	3.9
137.09628	2.5
139.07545	1.7
139.11194	2.4
149.06001	13.6
149.09593	1.3
151.07550	100.0
152.07909	4.4
161.09676	1.6
163.11331	1.1
167.07063	10.8
167.10704	3.7
169.08742	1.8
171.10179	19.0
175.11162	1.4
178.06302	5.0
181.12318	1.3
183.10107	1.5
185.11746	20.1
187.09822	1.3
203.14507	1.5
205.12344	4.8
221.11815	2.1
223.09799	1.7
223.13397	6.6
231.10248	1.1
237.11354	4.3
237.14932	2.5
245.19154	2.1
247.13420	6.6
249.11340	2.9
250.12032	1.7
259.16907	1.2
265.14432	32.3
266.14835	3.3
274.92627	1.1
275.16718	1.6
277.18076	2.1
279.16150	3.3
285.14966	3.9
289.18042	11.7
293.17569	4.1
303.16028	15.1
306.18463	1.3
321.17117	46.2
321.20670	5.9
322.17407	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1701
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03326	3.3
59.01245	4.4
60.56469	0.8
61.31029	0.8
61.76711	0.9
65.51209	0.9
65.58168	0.8
66.48746	0.9
68.28330	0.8
69.03325	2.0
71.01254	1.9
71.04898	8.1
73.02814	2.9
80.02523	1.6
80.31285	0.9
81.03330	4.3
83.04898	3.4
84.74825	0.9
85.02827	3.8
87.00751	1.3
93.03338	6.2
93.06979	26.7
95.01266	1.2
95.04910	6.4
96.95901	2.0
97.06477	3.1
99.04387	5.5
101.02334	1.2
105.06948	1.3
106.04146	1.2
107.04897	3.0
108.02045	5.5
109.02840	2.2
109.06472	14.6
111.04424	1.6
111.08057	1.1
119.04906	2.2
121.02876	4.6
121.06483	11.1
122.03646	5.5
123.04427	5.7
123.08031	7.3
125.09628	18.6
127.11180	3.7
131.04971	1.5
133.06493	7.0
135.04399	3.6
135.08055	4.7
136.05234	2.9
137.02402	1.2
137.05994	26.0
137.09616	2.7
139.11197	6.8
142.94081	1.0
147.04504	1.2
149.05988	7.8
151.03883	2.3
151.07559	14.4
153.09132	2.2
155.10719	2.9
159.04416	2.1
160.05145	2.2
163.04021	1.3
164.04694	1.8
165.09082	2.2
167.07033	1.3
171.10187	14.7
173.04460	2.1
174.06746	4.3
175.07652	1.6
178.06198	2.8
179.96405	0.9
183.10226	2.9
185.11763	2.0
187.07668	1.4
187.09669	8.1
191.05537	18.6
192.05907	1.2
197.11839	1.4
199.03937	3.8
199.09625	5.0
199.13341	3.5
201.11258	35.6
202.11606	1.2
203.10683	1.2
203.14508	1.2
205.12318	1.9
207.10295	1.5
209.05988	2.3
209.11812	3.3
211.13383	2.7
212.11281	1.8
213.11263	1.0
217.12396	0.9
219.13901	1.8
221.11757	3.2
225.11281	1.4
227.95049	1.0
229.81177	1.5
234.10683	1.2
235.13469	1.3
237.14903	8.0
241.15955	1.8
247.13324	2.6
249.11276	4.0
250.12086	1.7
257.15390	1.1
259.17010	4.8
261.15079	1.1
265.14551	5.2
267.13898	1.2
275.16531	3.2
277.18054	3.5
285.14935	15.0
286.15286	1.0
293.17572	1.6
303.16010	50.3
304.16406	2.8
321.17072	100.0
322.17267	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.7
59.01245	8.5
65.80582	2.1
69.03325	9.8
71.01240	3.0
71.04892	31.6
71.40424	2.2
73.02829	3.1
79.05431	2.6
81.03328	24.5
83.04886	6.6
89.20387	2.4
93.03355	12.7
95.01270	7.6
95.04912	11.5
97.02846	9.0
97.06484	2.5
99.04359	2.8
102.30381	2.5
107.04912	9.8
108.02053	38.3
109.02863	6.6
109.06485	14.2
110.03633	4.4
111.04417	11.3
118.35250	2.5
119.04898	15.7
121.02842	89.7
121.06483	13.2
122.03642	69.2
123.04461	13.1
123.08012	7.5
125.09625	11.0
127.05217	2.6
131.04941	3.3
133.06450	8.1
134.03624	11.9
135.04437	18.2
136.05200	9.1
137.05991	62.0
139.11200	10.5
145.02850	4.3
148.05240	2.7
149.05983	27.6
151.07576	12.0
157.06592	3.0
159.04388	4.5
160.05229	10.9
162.06831	4.1
163.03960	9.3
167.07091	11.7
171.10179	55.1
171.24825	2.4
178.06285	74.9
179.06627	5.2
185.11809	3.3
187.11250	3.4
199.13335	36.3
201.11221	4.2
205.12296	24.2
206.77113	3.5
209.11716	6.4
219.10243	3.0
221.11841	4.0
221.15392	4.2
231.10321	7.0
232.11006	5.9
237.11333	3.6
247.13347	23.7
248.13788	2.8
249.11310	35.0
250.12085	56.2
251.12639	5.4
259.17108	5.9
265.14447	30.3
275.16544	5.0
277.18015	6.6
285.15085	20.3
289.18112	7.5
303.16049	37.7
303.19424	2.4
304.16260	3.7
306.14706	2.7
321.11230	4.6
321.17111	100.0
321.20743	18.9
322.17303	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46708	1.0
57.03325	3.7
59.01257	3.2
63.15174	0.9
67.01759	1.6
69.03322	3.0
71.01283	1.4
71.04520	1.6
71.04893	15.3
71.16238	1.9
73.02815	1.5
80.02568	1.4
81.03320	5.2
83.04903	2.2
83.17860	1.1
93.03333	8.5
95.01257	1.7
95.04902	68.6
96.05244	1.7
97.02824	1.4
97.06463	8.8
106.04163	1.4
107.04903	7.3
108.02045	2.8
109.02859	2.1
109.06483	11.4
111.04391	14.2
117.03333	1.1
119.04951	1.8
121.02862	7.8
121.06514	3.8
122.03606	6.8
123.04409	3.8
123.08048	8.4
125.09617	53.0
126.09937	2.4
127.07531	1.7
130.08607	1.5
131.04910	1.7
133.06503	2.9
134.03668	1.3
135.04420	8.0
136.05182	3.4
137.02214	1.2
137.05949	7.4
139.11209	1.5
149.06006	8.7
149.09624	2.9
151.07555	100.0
152.07913	4.4
160.05237	1.4
167.07076	2.2
167.10719	2.6
169.08607	1.5
171.10168	10.7
173.04466	3.8
177.12769	6.7
178.06235	5.6
185.11754	12.1
187.09644	1.4
191.05537	3.9
199.13298	2.5
205.12344	3.9
219.10123	1.5
221.11913	1.2
223.09715	1.3
223.13292	5.3
233.15291	1.2
235.13409	1.6
237.11305	3.2
247.13385	4.5
249.11287	2.9
249.15031	1.7
250.11887	2.4
259.16971	1.4
265.14447	39.9
266.14780	3.0
277.14423	1.2
279.16019	2.0
285.14972	5.6
289.18130	2.6
303.16113	11.8
303.19470	1.8
306.18298	1.1
321.17050	57.1
321.20734	20.3
322.17465	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1129
Annotation	3-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
59.01246	0.2
66.18388	0.2
78.95771	2.3
80.96371	1.1
93.03344	0.7
119.04914	100.0
120.05247	3.8
128.17509	0.2
129.06976	0.2
157.06499	6.1
186.77449	0.2
201.05501	6.9
202.05835	0.4
207.36104	0.2
209.09416	0.3
219.06607	3.1
229.20116	0.3
237.18541	0.6
289.18472	0.2
291.06635	0.2
303.16028	0.3
303.23141	0.4
306.09021	0.5
321.11301	29.5
321.17194	1.0
321.21649	1.2
322.11655	2.8
325.83414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02644	1.4
58.62860	1.1
59.01253	100.0
60.01602	1.8
69.56658	11.0
71.01260	5.3
74.53946	1.2
85.02808	1.8
89.02321	4.0
96.95885	1.7
101.02321	3.3
113.02318	3.2
122.06029	1.8
124.03886	1.3
136.07602	3.7
137.05992	1.5
138.05487	2.4
161.04425	1.8
169.97746	1.6
208.95198	1.3
311.60425	1.2
312.29355	1.3
321.09857	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94740	3.8
59.01252	100.0
60.84544	3.9
60.86076	4.0
71.01257	38.0
71.57438	6.0
71.57825	5.7
72.99197	4.6
73.02803	11.8
80.04917	6.5
82.02822	4.8
84.04439	20.6
85.02811	16.4
87.00730	6.3
89.02308	18.5
92.04941	36.3
94.02878	8.2
95.04882	6.2
96.00764	5.9
96.04456	4.5
97.01573	10.9
99.00729	4.5
101.02327	25.1
110.06007	55.2
112.03906	6.1
113.02321	15.5
115.81210	5.9
119.03356	7.8
121.05222	5.0
122.06002	78.9
124.03941	8.9
133.15318	4.6
134.02081	5.5
136.03926	66.2
136.07571	9.7
139.71461	4.3
139.96349	4.4
161.04437	14.5
168.06454	5.9
181.03729	8.8
184.86110	4.6
203.11839	44.0
215.11893	14.9
232.05083	4.1
236.76794	4.1
247.10841	73.7
259.10864	78.3
267.78763	5.2
277.12250	5.5
279.14514	16.0
307.67200	4.4
321.10931	98.9
321.14859	7.6
322.11227	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.7
60.81744	0.9
68.04265	0.8
71.04917	0.8
80.02564	1.4
93.06966	2.0
97.02825	6.5
107.04887	1.1
108.02047	1.8
109.02842	6.0
109.06472	6.1
121.02859	6.8
121.06496	1.6
122.03636	1.5
123.08062	12.4
125.09609	2.8
129.06967	1.6
133.06454	1.1
134.03625	1.7
135.04422	3.5
136.05197	1.9
137.05991	16.4
137.09595	1.3
137.27069	0.9
139.11205	2.6
141.07021	1.5
147.04422	49.7
148.04906	1.5
149.05975	2.9
150.00023	0.8
151.07538	1.3
159.04425	20.7
160.04924	1.1
161.05949	1.9
164.04741	1.3
167.07034	2.6
171.08075	3.4
173.05984	13.1
177.05624	0.9
183.10172	1.3
185.05946	4.6
187.07573	5.7
187.09532	0.8
188.08344	30.7
189.08803	1.9
199.07614	6.6
200.08356	17.4
201.09154	1.0
201.11186	2.1
203.10716	28.9
204.11040	2.3
213.11362	1.5
215.10727	38.2
216.11038	2.0
218.09430	2.9
220.07393	3.2
231.10197	2.1
233.11797	100.0
234.12166	7.0
259.17230	1.0
275.16455	1.0
277.10794	13.8
277.18140	1.7
285.14932	1.7
293.17661	2.4
299.97858	0.8
303.15955	8.7
321.09726	7.7
321.17047	29.7
322.17514	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	20-HETE
Peak:m/z	Relative Intensity
53.67303	0.6
54.98050	0.8
57.03321	1.2
59.01229	1.3
69.42764	6.2
71.01243	0.8
71.04903	2.1
78.95800	1.3
93.06976	1.4
111.08044	1.1
120.51241	0.7
121.10119	12.0
152.99467	1.6
153.12730	3.0
185.55299	0.8
213.14876	13.5
215.12881	1.9
222.52635	0.7
223.17078	1.9
225.14900	3.2
231.49292	0.7
237.14973	1.6
239.16534	1.6
251.16550	1.4
275.16412	1.0
301.21664	1.7
319.22769	100.0
320.23102	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12941	0.7
53.91441	0.8
58.02848	11.2
59.01244	2.5
59.84243	0.8
69.34679	8.3
72.00784	5.2
73.21942	0.7
75.33638	0.9
79.29718	0.8
80.17784	0.7
82.06497	2.7
84.08064	1.0
91.05412	12.0
98.02348	0.7
110.65167	0.8
112.07565	4.2
118.06499	3.5
121.06346	0.8
123.87543	0.8
126.09143	2.2
129.10234	91.7
130.10555	2.4
135.04384	2.0
143.29103	0.8
147.04430	37.6
148.04768	1.3
153.10312	4.0
154.08636	16.3
155.11784	1.1
164.07086	88.5
165.07472	3.6
168.44408	0.8
171.11313	75.5
172.11661	1.7
188.08472	1.2
210.09926	0.8
216.13895	1.6
231.10173	3.9
231.14944	0.8
233.16573	45.2
234.16833	3.1
275.17651	8.4
277.15594	3.4
301.14566	1.0
319.16617	100.0
320.17001	8.0
320.82690	1.0
337.57446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.0
58.01287	1.1
58.02843	4.3
59.01252	10.9
71.01259	6.3
71.04900	6.7
71.58442	1.3
71.58828	1.3
73.02809	2.6
83.01257	1.5
83.04893	2.7
85.02821	3.6
89.02324	1.5
91.03911	2.6
93.03345	2.5
95.04903	2.2
97.02823	6.6
97.06470	5.2
99.00760	32.3
101.02322	5.7
108.04445	4.2
109.02847	1.9
109.06471	1.6
110.02381	1.8
110.03684	1.4
113.02366	1.6
122.06005	2.4
123.03156	16.0
123.08072	2.5
125.09615	12.4
127.11164	1.7
134.05994	2.8
135.04446	1.4
137.02342	1.5
142.02625	2.6
147.04477	1.6
150.05476	1.5
152.07111	2.1
153.12764	2.1
163.03938	2.1
163.11200	16.8
165.72484	1.2
169.06151	3.2
181.05013	3.8
181.12268	55.2
182.12608	1.5
187.04105	1.2
197.11769	2.8
199.13333	36.5
200.13651	1.4
207.10214	53.2
208.10577	2.9
213.10338	1.5
214.08678	2.4
225.11278	91.5
226.07426	1.8
226.11577	5.4
243.12361	100.0
244.12590	6.6
255.11383	7.5
257.19293	1.7
258.07736	4.2
273.12466	19.3
274.12799	2.3
317.06744	2.1
317.11066	3.5
317.16019	52.7
317.19733	21.0
318.16394	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79729	1.0
58.70790	1.1
70.66248	1.1
71.01263	6.4
71.56387	1.7
73.02818	1.5
78.95788	5.6
78.98466	3.1
79.95617	4.9
80.96397	49.4
85.02830	3.0
87.00757	4.0
94.97979	12.4
95.74643	1.1
96.96829	3.5
97.02833	1.9
100.09961	1.1
101.02345	2.0
106.97969	1.7
117.25582	1.2
122.97469	2.4
125.02314	2.7
129.89722	1.2
134.97556	2.5
148.99026	4.7
152.98523	5.8
159.62131	1.2
164.98560	9.9
206.99530	2.5
225.00699	12.5
302.28989	1.2
317.05478	100.0
318.05743	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1394
Annotation	Zearalenone
Peak:m/z	Relative Intensity
56.88410	0.4
58.05943	0.4
58.28910	0.4
60.53030	0.3
64.45373	0.4
65.03839	1.4
67.01764	1.4
69.03313	1.1
69.60227	2.7
91.05409	1.5
93.03342	0.6
95.04910	6.6
97.02825	0.8
105.06982	1.5
108.02027	0.5
109.02838	14.8
111.04401	1.1
117.06978	1.0
121.02839	5.3
122.03635	6.7
123.04426	2.4
133.02820	0.5
134.03619	1.5
135.04419	22.6
136.05223	5.4
137.02335	0.4
137.05984	14.5
138.06331	0.4
147.04416	4.2
148.05202	6.2
148.15340	0.4
149.05984	20.4
150.06477	0.7
151.03899	1.3
160.05269	0.7
161.05992	19.7
162.06483	1.2
163.07541	1.9
165.05458	0.8
175.07570	1.2
177.09088	1.0
179.07072	1.2
189.09174	0.6
218.55132	0.5
230.09451	0.6
238.74510	0.4
245.11761	0.7
272.10477	2.1
283.09702	0.5
284.10458	1.0
287.12891	16.0
288.13278	1.7
299.12894	20.3
300.13266	2.3
315.12503	0.8
317.13928	100.0
318.14261	10.4
330.12485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.3
58.00952	4.6
58.02865	7.7
59.01252	12.7
63.02275	11.6
65.00199	27.0
67.01770	11.6
68.99688	9.8
69.03339	7.0
69.43079	35.7
69.43485	7.5
71.01255	12.2
73.02856	4.4
79.01772	10.0
83.01262	25.4
88.95113	4.0
91.01781	14.0
93.03336	59.2
95.01261	34.8
97.02868	4.2
98.19792	8.0
99.00763	61.3
107.01266	30.8
108.02088	4.3
109.02846	33.0
109.99975	6.7
110.02353	8.6
111.00768	50.0
117.03330	34.6
119.04918	9.7
121.02841	12.2
123.00771	62.1
123.03163	37.0
123.04482	5.3
124.01527	6.8
125.02364	26.7
125.03136	5.9
133.02856	10.3
135.00792	28.4
135.04431	11.5
136.98672	8.8
137.02361	19.9
138.42264	5.7
139.00278	50.3
141.01837	21.3
143.04926	7.8
145.02843	9.1
147.04340	6.0
148.03876	5.3
149.02448	4.9
149.99506	7.3
151.00281	87.5
152.00999	11.5
153.01862	32.2
159.04471	17.1
161.02354	25.9
163.00291	10.9
166.99779	54.3
168.00552	13.0
169.01321	18.5
171.04427	12.2
173.06023	9.5
175.03946	7.6
177.99010	13.7
178.99780	72.8
183.04425	9.5
185.05905	4.8
187.03966	21.5
189.01854	13.6
189.05553	5.2
190.99789	19.5
191.03448	4.7
192.00565	12.6
194.99274	35.4
199.03966	9.2
201.05472	23.2
203.03432	14.9
206.99225	9.7
208.00038	7.3
211.03964	7.9
213.82175	4.8
215.03436	6.5
217.04985	11.5
219.02972	9.5
222.98688	6.2
225.11223	7.8
226.07500	4.7
227.03455	16.3
229.05045	20.8
231.03001	49.6
232.03421	5.2
243.03046	14.4
245.04524	11.6
255.03008	17.2
255.11444	15.2
258.07782	8.9
271.02414	23.2
273.04047	20.1
273.12433	27.2
289.03604	31.0
299.02032	22.6
317.03006	100.0
317.11151	8.8
317.16483	5.7
317.19363	22.1
318.03470	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.03
Annotation	Quercetagetin
Peak:m/z	Relative Intensity
57.03334	6.9
57.58037	5.6
59.01245	26.0
63.02274	9.6
65.00208	23.5
68.99692	14.4
71.01245	10.9
71.59055	8.5
79.01759	10.5
83.01270	16.6
91.01785	11.3
93.03342	54.4
95.01290	30.2
96.95891	6.7
99.00758	57.7
107.01286	19.2
109.02845	36.8
109.99973	7.2
111.00764	48.8
117.03371	30.9
119.04897	9.3
121.02782	10.5
123.00774	65.3
124.01526	6.7
125.02341	38.2
125.09653	6.1
133.02818	11.3
135.00748	23.1
135.04375	9.2
135.95963	5.0
136.98730	11.3
137.02345	26.6
139.00273	52.4
141.01866	14.0
143.04941	10.3
145.02820	8.0
149.99504	8.2
151.00273	68.7
152.01015	7.0
153.01839	21.6
159.04446	19.3
161.02374	28.4
163.00284	20.6
166.99797	63.7
168.00540	21.5
169.01323	26.9
171.04401	10.3
173.05952	10.1
175.03947	13.1
177.99039	9.3
178.99770	74.8
181.12251	13.4
187.03922	17.0
189.01854	13.9
190.99803	12.0
191.03488	7.1
192.00539	8.4
193.01385	10.8
194.99283	59.3
195.99696	6.0
197.00929	9.0
199.04062	11.9
199.13367	17.5
201.05530	24.0
203.03403	17.1
207.10194	16.4
215.03407	14.8
217.05055	10.0
219.03061	6.7
222.98792	10.9
225.11256	37.5
227.03432	14.6
229.05020	19.7
231.02951	43.7
243.02971	24.6
243.12300	35.8
245.04634	12.6
255.02959	10.6
261.04010	7.3
271.02466	30.7
273.04153	14.8
289.03525	33.9
299.01950	37.2
309.26044	6.2
317.02951	100.0
317.16095	16.2
317.19724	8.7
322.61786	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46090	0.4
57.03324	1.0
59.01251	2.4
69.03330	3.3
70.26183	0.4
71.01249	1.8
71.04893	2.5
71.58730	0.5
74.02352	0.4
76.07326	0.4
81.03320	0.6
83.01210	0.4
83.04908	0.7
84.02025	0.4
85.02828	0.8
89.02325	1.1
91.03887	1.7
91.05421	0.5
91.61183	0.4
91.67812	0.3
95.04852	0.6
107.04939	0.4
108.02062	3.2
109.02866	2.2
110.03635	2.9
113.02316	0.5
121.02791	0.5
123.08024	1.2
125.05931	1.0
125.09575	2.3
127.00739	0.4
135.04430	2.5
137.09576	0.4
151.11203	1.8
152.01022	2.5
153.01834	1.7
153.12750	1.9
161.02301	0.6
161.09636	3.4
168.87373	0.5
171.10191	3.4
173.04410	0.5
179.10692	14.0
179.96255	0.4
197.11763	100.0
198.12097	5.5
221.11659	0.8
223.09705	2.4
241.10788	17.5
247.13412	0.6
253.14461	1.5
279.15964	1.8
315.07101	2.2
315.14478	29.7
316.14780	1.9
316.21460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37236	0.6
57.03300	1.5
59.01246	3.4
65.03816	0.6
69.03330	4.3
69.31185	1.0
69.31593	6.2
71.01230	2.2
71.04872	2.5
79.24855	0.6
85.02800	1.4
89.02321	1.3
91.03873	1.7
91.05399	1.0
94.85189	0.7
95.01262	1.3
98.20538	1.5
108.02080	4.8
109.02831	4.4
121.02801	1.5
123.08017	1.6
125.09596	2.6
135.03421	1.1
135.04417	13.8
151.11183	2.5
152.01054	2.3
153.01816	2.2
153.12758	1.5
161.02322	0.9
161.09642	2.4
163.03766	0.7
165.05528	0.8
165.13771	0.6
168.65112	0.9
171.10155	1.3
179.10690	14.1
193.08664	1.7
197.11763	100.0
198.12068	4.3
202.01485	0.8
223.09773	2.3
234.96191	0.7
241.10779	17.3
241.13144	1.1
242.11150	0.9
315.06915	3.1
315.14536	28.3
315.17883	1.7
316.14731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1238
Annotation	4-Hydroxy-5,7,4'-trimethoxyflavan
Peak:m/z	Relative Intensity
54.37970	0.4
57.54692	0.4
65.03822	3.0
70.04144	2.2
79.17757	0.4
91.05408	16.2
93.03355	2.9
100.53616	0.4
109.02843	16.5
121.02843	9.0
134.03627	0.4
135.04416	100.0
135.30302	0.5
136.04730	2.1
137.05936	0.4
147.04460	2.2
148.05194	5.5
159.04462	1.5
160.05206	4.8
163.07558	4.9
167.07042	1.5
175.07576	6.1
193.08629	22.7
194.08932	0.8
292.51898	0.5
315.08710	0.8
315.12363	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77374	0.3
55.70806	0.3
59.01255	0.7
64.02601	0.3
65.03831	2.1
66.90860	0.3
67.01749	0.4
69.28249	2.8
71.01270	0.4
71.50283	0.3
72.77647	0.3
75.91082	0.3
79.95580	0.3
91.05412	12.5
92.05756	0.4
93.03337	3.2
95.03268	0.3
96.95879	0.3
107.04941	0.4
108.02055	1.1
109.02837	16.2
121.02843	9.8
121.03674	0.6
122.03715	0.4
134.03712	0.4
135.04414	100.0
136.04752	3.1
137.05969	0.8
147.04379	2.2
148.05197	5.8
149.05965	0.7
152.01093	0.7
153.01805	0.5
159.04414	1.6
160.05205	4.9
163.07547	5.3
167.07036	1.1
167.83389	0.3
175.07567	8.5
177.43680	0.3
191.07162	0.3
191.10591	0.3
193.08627	19.1
194.08940	1.0
205.85321	0.3
206.38979	0.3
214.99600	0.4
224.70721	0.3
245.14972	0.4
286.98318	0.4
314.97803	0.4
315.07962	0.5
315.12350	7.0
315.19168	0.4
316.12802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03827	1.9
67.01762	0.7
71.87699	0.2
91.05409	14.0
92.05748	0.4
93.03336	3.0
98.20578	0.3
108.02028	0.3
109.02839	15.5
110.03185	0.4
121.02843	9.0
122.03618	0.2
123.04443	0.3
124.02689	0.2
133.02881	0.3
134.03694	0.3
135.04416	100.0
136.04747	3.3
137.06009	0.5
147.04420	2.1
148.04056	0.4
148.05209	5.8
149.05957	0.7
153.05470	0.8
159.04433	1.2
160.05209	4.7
161.02356	3.4
161.05861	0.2
163.07552	5.6
167.07037	1.3
175.06055	0.4
175.07570	7.6
176.07904	0.5
178.06302	0.2
179.03340	0.3
191.07147	0.4
193.08633	19.2
194.09052	1.0
197.04620	0.2
229.70299	0.2
231.87128	0.2
279.06763	0.3
297.07785	0.4
315.08682	0.4
315.12357	6.2
316.12656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33209	0.1
52.87135	0.2
54.46311	0.1
58.80014	0.2
58.80324	0.1
59.01253	0.3
60.57292	0.2
65.03836	2.3
67.01776	0.4
71.01259	0.2
85.02818	0.3
91.05414	13.8
92.05763	0.4
93.03335	2.7
96.95879	0.2
106.97762	0.1
107.04897	0.2
108.02077	0.8
109.02837	17.4
110.03181	0.4
121.02849	9.1
122.03648	0.3
123.04368	0.2
125.02309	0.3
133.02888	0.2
134.03622	0.7
135.04417	100.0
136.04759	3.1
137.06001	0.5
138.67053	0.2
147.04430	2.1
148.05206	5.4
149.06027	1.2
152.01065	0.6
153.01857	0.5
159.04433	1.3
160.05222	4.6
161.05742	0.2
163.07567	5.5
167.07065	1.4
173.04539	0.2
175.07568	7.8
176.07927	0.3
179.03494	0.3
191.07130	0.2
193.08638	19.8
194.08942	0.7
271.02603	0.2
293.04031	0.2
300.02823	0.3
315.08710	0.4
315.12357	8.5
315.18069	0.4
316.12753	0.6
328.59152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03826	2.1
67.01772	0.5
72.20296	0.2
91.05410	15.0
92.05726	0.4
93.03343	3.1
107.04890	0.3
109.02836	15.5
110.03182	0.4
121.02847	9.2
122.03574	0.2
128.87344	0.2
134.03651	0.6
135.04417	100.0
136.04749	3.4
137.05995	0.6
147.04436	1.7
148.05209	6.2
149.05919	0.7
159.04430	1.7
160.05212	5.4
161.05646	0.2
163.07559	5.6
163.08925	0.3
164.07884	0.3
167.07060	1.3
175.07571	8.5
176.07860	0.3
191.07111	0.3
193.08633	18.2
194.08968	0.9
204.69601	0.2
216.02715	0.2
315.12384	7.0
316.12744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0875
Annotation	Teucrol
Peak:m/z	Relative Intensity
56.61774	0.3
59.84888	0.3
62.88049	0.3
65.03833	1.5
67.01756	2.6
69.24302	3.3
69.24709	0.8
72.87366	0.3
77.03826	0.4
91.05412	12.4
93.03350	2.3
96.95919	0.5
98.19727	0.8
108.02061	0.9
109.02132	0.7
109.02842	10.2
115.88104	0.3
117.03332	0.4
117.50262	0.4
119.04868	0.4
121.02839	6.8
121.84540	0.3
123.04408	1.2
133.02850	1.6
134.03564	0.4
135.04414	100.0
136.04753	3.4
136.07687	0.4
137.05957	0.4
147.04378	1.8
148.05209	3.3
149.06007	0.9
152.01059	1.0
153.05486	8.3
159.04439	1.0
160.05208	2.8
161.02351	25.8
161.05954	1.1
162.02643	1.0
163.03868	0.4
163.07568	3.0
167.07121	0.5
175.07558	4.6
179.03470	2.3
193.08640	11.7
194.08951	0.6
195.02890	0.4
197.04495	1.6
279.06689	2.0
297.07745	2.3
300.02625	0.6
315.05115	0.5
315.08670	2.3
315.12399	5.5
315.18164	0.5
316.12527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00951	0.4
54.78904	0.4
57.03321	0.3
59.01249	1.0
65.03833	1.5
67.01768	5.8
69.41093	3.7
71.01264	0.7
73.02806	0.4
77.03838	1.1
85.02850	0.7
89.03840	0.6
91.05406	13.8
93.03357	2.2
98.19855	0.8
107.04867	0.5
108.02047	3.9
109.02856	2.2
113.02323	0.6
117.03356	1.5
119.04905	0.4
119.84975	0.3
121.02831	1.8
123.04404	4.1
133.02861	4.9
134.66510	0.4
135.04414	100.0
136.04764	3.8
149.02348	0.7
152.01050	1.8
153.01869	2.2
153.05482	17.5
154.05814	0.7
161.02353	68.8
162.02692	2.9
165.05438	0.7
171.10179	0.4
175.03986	0.4
178.28264	0.4
179.03424	5.2
188.83571	0.4
195.02934	0.4
197.04437	3.3
239.26804	0.4
271.15295	0.4
279.06610	4.6
297.07697	6.0
298.07990	0.7
315.08899	4.9
315.18030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.06756	0.3
58.38428	0.4
68.54353	0.4
69.80978	1.2
69.81384	0.9
71.01240	2.1
81.03318	0.8
85.02842	1.6
89.37750	0.4
93.03358	0.4
95.01270	1.2
95.18745	0.4
97.02856	0.4
98.20518	0.8
98.32224	0.4
99.35987	0.4
101.02335	0.8
107.14645	0.4
108.02055	100.0
109.02866	23.4
110.03156	0.7
111.56510	0.4
113.02332	0.8
119.07494	0.4
121.02866	0.5
123.00773	0.7
129.40572	0.3
135.04353	0.4
151.03952	0.9
152.01060	40.6
153.01860	12.1
154.02203	0.5
163.03963	0.8
165.01874	0.7
184.74852	0.3
187.98430	0.4
188.31116	0.4
189.44943	0.4
208.10889	0.5
253.14438	0.4
315.07217	22.9
316.07486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.74021	0.2
59.01252	0.3
65.03828	1.6
66.20087	0.2
67.01749	0.8
71.01257	1.6
73.02820	0.8
79.49389	0.2
81.03342	1.4
83.01250	0.4
85.02822	1.7
85.23653	0.2
87.00755	0.2
91.01755	0.7
93.03343	0.4
95.01255	0.9
98.20564	0.4
99.00744	0.3
101.02317	0.8
108.02056	100.0
109.02851	36.1
110.03188	0.9
113.02320	0.9
121.02847	0.9
123.00756	0.8
123.04382	0.6
133.02821	0.5
135.00772	3.2
135.04376	0.3
151.03935	1.4
152.01062	47.0
153.01848	25.7
153.02888	0.3
154.02162	0.7
163.03943	1.0
165.01878	1.4
195.02951	0.5
225.03966	0.5
276.12851	0.2
278.22098	0.2
315.07224	59.2
316.07547	3.7
337.47656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0146
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
59.01248	2.0
63.02267	9.2
65.00195	26.1
69.58416	12.5
80.32388	1.5
83.01255	11.0
91.01784	4.2
93.03361	3.2
95.01269	6.2
98.20515	3.3
105.47318	1.6
107.01265	29.7
108.02039	2.9
109.02819	7.8
109.99979	7.0
111.00763	3.6
115.05459	2.1
117.03334	3.1
119.01261	3.2
121.02839	5.2
123.00787	4.2
125.02351	6.0
131.04904	2.0
133.02835	4.0
135.00766	15.7
135.04399	4.1
137.02345	2.2
139.00301	3.9
139.03880	6.4
143.04880	8.1
145.02831	5.5
147.04453	4.7
149.02316	9.8
149.99463	2.9
151.00281	99.4
152.00937	6.4
153.01854	2.9
155.04980	2.1
157.02800	3.8
159.04453	10.1
161.02309	5.5
163.00342	10.2
163.03923	3.9
164.01068	2.2
164.98219	3.6
165.98956	3.9
169.01340	3.5
171.04468	12.7
173.02328	3.5
175.00262	4.1
175.03929	4.1
177.01814	7.7
177.99081	2.1
178.99788	55.7
183.04402	2.0
185.02362	3.9
187.03955	14.8
189.01794	8.8
191.03415	3.9
193.36429	1.5
197.02400	1.7
199.04030	7.8
201.01891	6.3
202.99687	1.7
203.03430	12.2
205.01430	1.9
213.01918	3.2
215.03415	24.0
217.01392	5.2
219.02921	5.5
226.02548	2.0
227.03445	3.3
229.01453	5.3
230.01962	1.6
231.02968	12.3
243.02962	23.0
244.03372	2.7
245.00984	2.8
259.02469	19.9
271.02472	20.0
287.01978	57.6
288.02396	4.8
297.00629	2.2
299.01965	2.7
315.01477	100.0
315.18130	2.7
316.01935	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.69724	1.1
59.01238	1.7
62.63943	1.1
63.03535	1.0
71.58305	1.8
77.03550	1.0
79.47902	1.3
121.02853	1.3
135.04431	1.5
157.39885	1.2
166.05656	1.1
184.01427	1.3
185.00754	5.0
243.69203	1.1
245.60469	1.2
251.23788	63.2
252.24164	6.1
269.24774	1.7
295.22769	26.8
296.23242	2.3
312.00162	1.4
313.16782	8.8
313.23859	100.0
314.24106	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
51.54969	0.4
57.03307	0.7
58.00442	0.5
58.57259	0.4
59.01258	1.4
69.37634	4.7
71.01243	0.6
71.04905	0.6
78.95789	1.2
93.03312	0.6
97.06461	0.6
99.08044	1.5
125.09597	3.0
127.11177	4.1
129.09119	0.7
135.04460	0.9
137.09669	0.7
139.11200	2.1
141.12747	1.0
151.03900	0.6
155.10695	1.4
165.09120	1.1
171.10228	3.8
172.10503	1.0
173.10683	1.2
182.70381	0.5
185.11896	0.5
198.12209	0.7
199.09680	0.6
199.12215	0.7
201.11267	15.9
202.11662	1.0
212.13713	0.7
225.11179	0.6
228.73680	0.6
277.21616	1.5
293.21231	1.8
295.22684	6.1
311.22208	0.5
313.17831	2.9
313.23834	100.0
314.24161	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.4
58.00454	0.7
59.01251	1.4
67.86369	0.6
69.03327	3.1
71.01261	0.9
73.33370	0.6
79.30548	0.6
81.03330	1.1
83.04893	8.7
83.08251	0.7
84.02070	0.8
85.02821	9.1
95.04879	0.8
97.02823	1.0
97.93983	0.7
105.06934	0.9
123.08070	2.2
125.09613	2.2
127.11177	2.6
135.04370	1.2
148.06953	0.6
151.11122	0.8
153.09174	0.8
167.14383	1.3
171.10178	24.6
172.10490	1.3
177.12657	1.4
183.13846	4.8
185.11797	1.8
193.12225	2.2
197.11835	0.7
199.80582	0.6
203.10750	0.7
209.11812	2.0
211.13339	30.0
212.13632	2.5
221.11794	2.8
229.14406	18.0
230.14926	0.8
239.12868	1.9
242.16953	0.7
277.18066	2.8
295.19183	1.5
313.20215	100.0
314.20584	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53384	0.4
56.30104	0.4
57.03320	1.5
59.01255	1.0
64.70452	0.4
75.00736	0.5
83.04937	0.4
88.32050	0.4
93.03327	2.2
93.06966	0.6
100.03604	0.5
119.08550	1.0
121.02851	0.9
121.06502	0.7
121.10115	8.3
123.08095	0.6
129.07025	0.5
135.04422	1.0
139.11197	1.9
141.09140	0.7
147.08087	1.5
150.01187	0.4
163.07414	0.4
175.07344	1.5
175.11240	0.6
177.08994	0.5
184.01341	0.5
185.00525	2.0
191.06860	0.5
193.08398	0.7
207.06007	0.4
207.09981	7.9
208.10231	0.4
209.07935	1.9
215.14394	0.8
217.15976	2.3
225.16405	0.8
227.18091	2.3
233.11479	0.8
243.17400	2.5
245.19090	26.2
246.19566	1.9
291.13779	0.4
293.15274	1.2
295.16727	1.9
297.14786	0.5
298.15555	0.8
311.16211	2.7
313.17862	100.0
314.18170	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39870	0.3
65.03837	3.0
67.01794	0.3
68.25195	0.3
70.86917	0.4
70.87247	0.7
91.05408	15.5
92.05754	0.3
93.03339	2.6
94.36222	0.3
109.02831	13.8
110.03163	0.6
121.02839	9.5
122.03624	1.0
135.04411	100.0
136.04744	3.8
137.05949	0.7
147.04420	3.7
148.05199	12.8
149.05533	0.4
161.02362	0.5
163.07553	5.9
164.07915	0.4
165.05478	1.1
171.10234	0.4
176.04704	2.5
191.07063	21.4
192.07401	1.3
295.22903	0.6
295.63925	0.4
313.10840	6.5
313.14221	0.6
313.20483	0.6
313.23697	2.8
314.11133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Glochidacuminoside A
Peak:m/z	Relative Intensity
57.03325	2.6
58.00472	4.2
59.01252	100.0
60.33110	2.0
71.01254	72.3
72.99193	7.9
83.01268	6.0
83.33810	1.9
83.67694	2.2
84.70667	2.2
85.02816	16.3
89.02321	60.1
95.01260	4.5
101.02328	33.9
107.04919	24.0
109.02840	3.7
113.02330	24.1
119.03391	24.6
123.04435	5.5
133.06473	5.5
142.49959	2.5
143.03473	2.8
147.04430	4.8
151.03923	21.4
151.07567	2.4
157.79437	2.6
306.39633	1.9
313.09430	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
59.01244	0.8
71.01273	1.2
71.57664	0.4
72.99178	0.2
75.00768	0.4
81.03337	0.4
81.16371	0.3
84.21383	0.3
85.02816	0.4
87.00751	2.8
89.02352	0.4
91.01779	0.3
101.02344	0.4
107.41038	0.2
108.02039	1.7
109.02835	100.0
110.03162	2.6
113.02279	0.2
119.00175	0.3
119.04894	0.3
122.83188	0.2
130.08565	0.3
139.23592	0.3
145.02808	0.6
146.03654	1.1
147.04420	3.4
151.03992	0.3
159.04466	1.0
197.74283	0.3
198.36754	0.3
213.73589	0.3
257.05664	0.3
269.08218	1.9
269.10916	0.3
301.08487	0.3
301.64319	0.3
313.08569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
53.32055	0.2
54.02217	0.2
56.15031	0.2
59.01268	0.4
70.01581	1.4
75.95419	0.2
121.02847	100.0
122.03185	3.1
135.04453	0.5
180.05789	1.0
181.06511	4.5
182.06888	0.3
225.05536	6.6
226.05846	0.6
269.08105	0.3
307.07040	0.3
313.07190	10.8
313.23392	0.5
314.07504	0.7
314.21628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	CHEBI:68130
Peak:m/z	Relative Intensity
57.65835	0.9
59.01251	2.6
70.96496	1.7
71.01259	1.8
74.78065	1.0
74.78516	0.8
81.46561	0.8
93.03361	1.0
95.04889	1.5
101.02328	1.0
101.03838	1.2
108.02055	3.2
109.02837	59.7
110.03156	1.3
115.05443	1.0
117.03344	1.1
119.04923	5.0
121.02844	3.8
123.04420	3.8
129.03365	7.7
130.04181	1.9
131.04906	1.3
135.04431	2.5
145.02849	14.2
146.03647	24.5
147.04425	100.0
148.04774	4.2
157.97763	1.0
158.03609	1.3
159.04428	33.4
161.02364	1.2
203.03464	0.9
226.06160	0.9
251.07104	1.6
254.05768	1.3
268.07324	1.1
269.08170	58.2
270.08563	3.9
313.07257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	CHEBI:68130
Peak:m/z	Relative Intensity
51.00293	0.7
57.12598	0.8
63.29247	0.8
63.76398	0.7
70.41413	3.2
71.01288	0.7
71.38645	0.7
91.05451	0.8
93.03341	1.4
101.03869	1.0
108.02058	1.7
109.02842	45.0
110.03194	1.6
110.27676	0.8
117.03346	1.6
117.90072	0.7
119.04914	8.2
121.02827	5.0
122.03622	1.0
122.37794	0.8
123.04375	4.1
124.88929	0.8
129.03358	6.9
129.15558	0.8
130.04179	1.8
131.04948	1.2
135.04398	2.4
145.02863	16.5
146.03639	27.8
147.04425	100.0
148.04767	4.5
158.03679	1.9
159.04422	32.5
160.04745	1.3
161.02380	2.2
161.05988	1.0
237.05635	0.9
251.07190	1.7
252.07928	2.0
254.05797	0.7
269.08182	53.8
270.08469	5.2
281.08011	1.1
283.05862	0.9
285.00479	1.0
293.97559	0.8
313.03537	1.1
313.07312	1.4
313.10660	1.7
334.66443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
50.93467	0.4
56.00544	0.5
59.01250	3.1
63.02274	6.5
65.00189	3.8
67.56286	0.5
71.01220	0.5
89.00195	0.7
89.02294	0.6
90.11146	0.5
91.05382	0.5
93.03299	0.9
96.95879	0.7
98.20563	1.2
99.10042	0.5
101.03862	0.6
107.01298	2.7
109.02789	0.7
115.12296	0.5
116.72809	0.5
119.04866	2.0
121.02795	2.0
125.02348	1.5
135.04425	3.8
139.05409	0.6
143.04944	4.1
145.02846	1.9
147.00803	1.1
147.04388	0.7
148.01578	0.6
148.05093	0.5
151.00302	0.8
157.06412	0.7
165.06979	1.4
165.62761	0.6
167.04878	0.8
171.08040	0.6
180.05766	0.7
181.06482	1.3
183.13815	0.6
185.06029	1.3
191.07127	1.0
197.05974	2.9
209.06000	3.1
211.03934	1.3
225.05492	2.3
245.19022	1.7
253.05042	100.0
254.05379	6.9
263.51086	0.5
271.06149	7.8
312.22440	0.6
313.07202	32.9
313.17819	11.3
313.23685	6.3
314.07538	2.6
314.18271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
57.23309	0.8
59.01252	2.4
60.25529	0.7
70.91626	2.4
70.91990	0.7
71.04926	1.1
77.90298	0.9
97.02819	1.0
97.06466	0.9
98.18369	0.8
113.09617	4.1
114.09937	3.2
121.10136	1.8
122.10460	0.9
127.11144	2.0
128.11536	2.0
128.16895	0.8
139.11188	16.5
140.11526	18.2
156.11070	0.9
164.65308	0.8
167.10606	1.2
171.10181	24.6
172.10512	25.4
186.12030	1.9
186.58382	0.7
196.14168	1.6
201.11278	1.0
202.11586	1.2
211.13354	1.5
212.13707	3.4
250.22607	1.8
276.20398	2.2
294.21558	34.6
295.21924	1.4
312.22626	100.0
313.23047	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
69.87462	1.0
69.87875	3.0
71.01247	0.8
85.02793	0.6
86.13230	0.6
98.91737	0.6
108.40965	0.6
112.58266	0.7
121.02834	0.9
123.08080	0.9
125.09615	2.1
126.09933	1.2
130.25688	0.7
135.04309	0.8
139.11227	1.2
141.09120	1.4
153.09195	0.7
155.14343	1.6
156.14656	1.8
171.10150	0.8
172.10480	1.5
173.62379	0.7
184.01448	0.7
184.14131	0.7
200.10429	0.9
201.10837	2.0
240.24141	0.9
250.22591	2.8
266.22009	1.8
268.23615	1.4
276.20480	1.0
285.64413	0.7
294.21570	8.7
312.16849	2.5
312.22614	100.0
313.17874	1.5
313.23077	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81559	1.0
59.01259	1.3
71.01225	1.4
71.57494	1.0
71.57845	2.0
115.07584	1.4
127.11172	1.1
135.04370	1.4
143.89494	1.0
168.14731	1.9
171.10199	2.9
172.10588	2.5
183.13780	1.2
195.13840	3.6
196.14162	6.8
214.15263	1.3
253.60295	1.4
253.63202	1.1
268.23587	1.3
276.20145	1.1
294.21533	10.6
303.42786	1.0
312.22610	100.0
313.11127	1.4
313.23282	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
65.92655	1.7
67.32878	1.6
75.48411	1.8
97.06409	1.6
112.34002	1.9
121.10139	4.3
123.08041	1.7
125.09632	3.9
127.11146	8.8
139.11198	20.7
153.09128	1.8
155.10709	3.3
162.96272	1.7
168.03481	1.7
171.10191	87.3
172.10562	4.2
183.10223	9.4
185.11787	17.5
201.11314	13.3
229.18982	2.0
234.70517	2.1
249.21361	2.7
265.21442	1.7
272.05167	1.9
275.20169	7.9
287.30026	1.7
293.21170	32.6
311.22119	100.0
312.22507	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
59.01237	1.1
61.00183	0.7
88.00261	0.9
90.22979	0.8
97.06479	1.4
98.20564	1.6
98.43942	0.9
99.08006	0.8
105.17015	0.9
121.10088	1.0
125.09608	2.4
127.11151	3.7
128.11531	2.7
129.09077	2.5
139.11195	6.0
140.11485	5.9
153.09122	0.9
155.10684	1.8
171.10188	38.1
172.10527	38.9
173.10596	1.5
181.12331	1.0
182.12564	1.5
183.10191	2.7
184.10548	3.2
185.11813	5.8
186.12105	7.2
197.11780	1.7
198.12187	1.8
201.11284	7.0
202.11594	8.0
211.13330	2.2
212.13673	3.7
229.25505	0.9
235.94499	0.8
276.20441	6.0
294.21576	20.3
312.22632	100.0
313.23041	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.16814	0.7
54.29823	0.6
57.03323	2.2
59.01238	2.5
60.24905	0.7
61.22241	0.7
63.56933	0.6
71.07100	1.1
75.11137	0.6
81.03344	1.2
83.04896	6.7
84.48032	0.6
85.06431	0.8
97.06466	1.0
98.35370	0.7
99.08050	7.0
113.09616	0.7
125.09623	2.8
139.11180	9.3
139.61913	0.6
149.09601	1.1
150.58183	0.6
160.70306	0.7
170.15527	0.7
171.10193	21.8
172.10501	1.4
181.12254	0.8
181.15918	0.8
185.11778	2.7
191.14320	1.2
193.12292	1.3
195.52829	0.7
209.15398	2.3
219.44919	0.7
225.14877	5.8
249.22166	1.0
253.37488	0.7
267.77618	0.6
275.20264	1.3
293.21210	33.6
294.21539	2.2
311.22275	100.0
312.22638	8.5
321.60248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.06702	0.9
57.03305	2.7
59.01251	7.7
69.26276	1.1
71.04886	2.1
71.49768	1.6
73.27964	1.0
80.95562	0.9
81.03316	1.1
83.04906	2.4
83.05611	0.9
85.04336	0.9
91.57664	1.0
94.70119	0.9
96.85039	1.0
97.06473	1.6
111.08015	1.9
113.09614	2.1
125.09610	2.3
127.11160	1.2
137.09599	2.5
138.09970	1.0
139.11154	2.3
153.12740	1.5
157.08594	2.2
163.11180	3.4
165.12793	3.0
167.10660	1.2
167.14462	1.2
171.10190	9.1
172.10542	1.7
173.10680	1.4
183.01079	1.0
183.13817	1.6
195.13786	2.5
197.11957	1.2
209.11763	2.2
211.13356	3.7
227.12907	1.4
249.22249	3.7
251.11105	1.1
256.04269	0.9
267.19650	5.8
293.21194	71.5
294.21408	4.7
311.22253	100.0
312.22580	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03323	1.6
59.01258	2.3
69.03323	0.5
71.01261	0.5
71.04898	0.6
75.50542	0.3
80.02549	0.4
81.03325	1.1
83.04907	5.8
85.02833	0.3
85.06472	0.5
90.22580	0.3
97.06458	0.6
99.08034	5.5
109.02880	0.3
109.06496	0.8
111.08039	0.5
113.09552	0.3
115.26011	0.4
121.02842	0.3
123.08009	0.3
125.09599	3.1
127.11189	0.8
135.04462	0.4
139.11186	8.4
141.12759	0.7
143.24933	0.3
149.09590	0.4
161.04449	0.4
171.10184	21.7
172.10553	0.7
181.12234	1.1
181.15953	0.6
183.01100	0.3
183.13782	0.4
185.11729	3.2
187.09988	0.3
189.09152	0.4
191.14412	0.8
193.12311	1.1
197.11847	0.4
201.11325	0.6
207.13927	0.3
209.11765	1.1
209.15375	1.8
225.14911	6.3
229.62802	0.4
237.18524	0.7
249.22156	1.0
273.65961	0.3
275.20038	0.8
293.21207	27.5
294.21530	1.9
311.22263	100.0
312.22641	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
58.26692	0.5
58.48464	0.5
59.01257	1.1
63.04290	0.4
66.28479	0.5
69.28838	3.1
69.29276	2.3
97.06449	0.8
105.49387	0.5
123.08030	1.0
125.05969	0.7
125.09625	3.9
137.09557	0.7
139.11165	2.1
139.21284	0.5
141.09103	1.9
141.12744	1.5
143.10640	0.6
153.09109	1.5
155.14339	2.4
157.12219	0.9
169.08720	0.6
171.10199	2.8
183.01176	0.7
183.13795	0.8
199.09706	1.3
200.10446	3.5
249.22121	3.0
265.21716	1.3
267.23334	1.6
275.20154	1.0
283.22577	0.8
293.21185	8.4
311.22272	100.0
312.17004	0.8
312.22641	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
56.06103	0.7
57.03311	1.9
59.01246	1.3
69.03326	1.1
69.87376	2.7
69.87789	1.9
80.91952	0.7
83.04884	0.7
91.44010	0.8
98.19823	1.0
99.08047	1.5
113.09584	1.3
121.10131	1.7
123.08022	1.2
125.09635	4.2
127.07545	1.1
127.11168	6.6
129.09113	3.2
137.09622	1.9
139.11192	13.9
151.11179	1.4
155.10704	4.7
165.09102	1.4
169.12199	1.9
171.10182	69.5
172.10529	2.9
181.12254	1.7
183.10207	5.7
185.11757	11.2
197.11761	3.8
199.13358	2.0
201.09537	1.1
201.11267	12.8
202.11363	0.8
209.12793	0.9
209.15115	0.8
211.13345	7.7
231.21268	1.0
249.21953	1.0
265.21753	1.0
275.20175	6.2
276.20554	0.9
293.21207	23.1
294.21527	2.4
311.22260	100.0
312.22635	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35233	1.1
57.03323	2.6
58.71684	1.3
59.01235	1.9
67.49929	1.0
67.96931	0.9
70.07908	1.0
75.25466	1.1
84.86514	1.0
97.02840	1.9
110.87502	1.1
112.39223	0.9
113.09603	9.0
121.10124	2.9
125.09601	2.3
127.11162	2.6
137.09604	1.4
139.11179	32.5
153.09055	1.1
155.10669	1.7
167.10721	2.4
171.10188	48.8
172.10530	1.3
185.11755	2.2
192.45680	0.9
201.11285	1.8
202.97211	1.0
211.13351	5.5
249.22154	1.4
275.20102	2.2
283.66675	1.0
293.21225	41.0
294.21585	4.0
311.22266	100.0
312.22690	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81718	7.1
70.31313	1.0
80.02540	1.9
83.04921	1.6
84.02063	1.4
115.68908	1.3
119.08561	1.7
120.08883	2.1
121.09238	1.2
137.09618	4.1
138.09958	4.6
138.29355	1.2
138.67570	1.0
139.10214	1.8
139.11182	3.7
141.36377	1.6
163.08151	1.0
171.10144	12.5
172.10515	11.2
173.10692	10.5
186.12027	1.7
187.12341	2.3
214.11578	1.6
223.13350	52.6
224.13782	1.8
231.54872	1.1
241.14439	2.9
258.18207	1.0
275.19131	1.0
293.20807	12.8
294.21591	1.4
295.54965	1.1
311.22260	100.0
312.22696	6.8
312.26010	1.3
331.33356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81718	7.1
70.31313	1.0
80.02540	1.9
83.04921	1.6
84.02063	1.4
115.68908	1.3
119.08561	1.7
120.08883	2.1
121.09238	1.2
137.09618	4.1
138.09958	4.6
138.29355	1.2
138.67570	1.0
139.10214	1.8
139.11182	3.7
141.36377	1.6
163.08151	1.0
171.10144	12.5
172.10515	11.2
173.10692	10.5
186.12027	1.7
187.12341	2.3
214.11578	1.6
223.13350	52.6
224.13782	1.8
231.54872	1.1
241.14439	2.9
258.18207	1.0
275.19131	1.0
293.20807	12.8
294.21591	1.4
295.54965	1.1
311.22260	100.0
312.22696	6.8
312.26010	1.3
331.33356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63722	2.4
70.64077	0.9
121.10104	0.9
125.09641	1.8
127.11127	1.4
139.11198	3.4
154.09862	2.4
171.10184	4.4
177.12758	3.2
178.13556	0.8
195.13814	3.0
196.14540	1.4
211.13350	1.3
249.22278	5.1
275.20157	1.1
293.21231	90.8
294.21600	7.4
311.22275	100.0
312.22687	8.5
332.04572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
53.94628	0.2
64.18401	0.2
69.38654	2.2
89.09955	0.2
90.06647	0.2
92.95245	0.2
133.06483	2.5
140.09898	0.2
148.27626	0.2
149.09622	100.0
150.09964	4.4
179.91586	0.2
183.01120	5.0
184.01695	0.5
311.16827	7.5
311.20105	50.4
312.17081	0.8
312.20416	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45065	2.1
53.94019	1.7
59.01252	100.0
63.01160	1.9
64.06927	1.8
69.91910	9.3
71.01244	7.5
73.02821	3.8
75.00736	2.0
85.02821	6.2
86.78192	1.8
89.02320	4.2
93.17471	1.7
98.19794	2.7
101.02328	11.9
113.02328	4.4
119.04908	7.4
123.04363	2.1
126.86069	1.9
148.03610	2.1
161.04449	7.8
163.03957	9.8
177.05466	3.8
230.27708	2.1
251.11342	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1865
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
51.00775	1.3
57.03330	6.9
58.00465	2.8
59.01247	6.7
59.50027	1.4
60.00708	1.3
62.29387	1.3
69.03329	1.9
70.80573	2.6
70.80920	3.1
71.01262	2.4
73.02809	2.0
75.74382	1.3
80.02568	2.1
87.04390	2.5
92.30375	1.5
93.03458	1.5
94.27136	1.7
97.06476	31.2
98.03636	1.9
109.06467	2.7
110.03665	1.5
111.08048	1.7
121.06487	2.1
123.08060	12.0
125.05987	1.8
125.09618	39.4
127.11189	12.9
135.04416	2.4
137.09595	4.1
139.07565	5.0
139.11116	2.4
140.22795	1.2
141.09108	4.6
150.06804	3.6
151.11206	4.1
155.10692	5.5
157.12294	2.1
165.09154	6.8
169.12279	3.0
171.10184	21.1
183.10210	2.6
187.09714	2.0
195.10231	4.5
199.09697	5.3
201.11267	100.0
202.11610	5.4
209.11975	2.0
213.11264	71.5
214.11635	5.4
227.12917	1.9
231.17653	2.0
241.04996	1.8
241.14374	3.0
250.12093	1.7
253.05132	3.5
275.16547	23.6
276.17099	2.3
293.17606	41.2
294.17975	5.6
311.09341	3.6
311.18655	71.2
311.22150	4.3
312.18900	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01585	1.2
67.22788	0.6
69.58498	3.9
71.01255	2.9
73.01922	0.5
73.02811	1.2
85.02833	1.0
87.00781	0.6
99.00732	0.6
101.02346	1.9
103.72955	0.5
113.02346	1.0
126.96490	0.6
146.03639	0.6
161.04483	1.5
234.50513	0.6
268.72281	0.6
269.10263	1.5
311.05457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	5.6
59.01252	100.0
69.38114	3.2
70.08495	9.5
71.01254	17.8
85.02795	3.4
87.76350	2.8
89.02316	12.3
101.02329	13.6
113.02323	6.4
119.03380	4.2
132.09003	3.6
136.07649	3.7
149.02306	5.8
149.08099	3.4
150.05437	7.2
177.05515	3.4
251.11417	8.8
262.13348	3.1
301.26563	3.7
311.09760	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94307	4.6
55.90081	5.2
56.78532	4.1
59.01251	100.0
62.17247	4.0
64.44984	4.6
70.97889	11.7
71.01238	10.4
77.86300	4.6
101.02324	15.3
113.02353	6.0
125.08824	4.8
135.26866	5.6
147.78952	5.5
152.04507	4.6
161.04448	9.0
195.82655	5.5
221.16537	4.7
251.11314	19.7
311.22375	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0985
Annotation	Vicianose
Peak:m/z	Relative Intensity
59.01247	87.6
68.15197	5.0
69.30973	33.6
69.31398	21.4
70.05473	6.0
71.01247	60.6
73.02824	28.2
77.02370	5.7
85.02845	7.6
85.81538	5.0
89.02322	93.5
93.93095	5.4
99.00751	43.9
101.02338	42.8
107.04898	100.0
131.03366	15.2
134.17891	5.6
149.04503	28.0
152.58920	5.2
181.54041	5.4
191.05469	13.2
224.36314	4.9
267.06418	6.9
311.09851	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	Vicianose
Peak:m/z	Relative Intensity
50.94986	6.4
51.05209	6.3
59.01250	100.0
69.43350	61.5
71.01257	45.4
73.02829	32.9
81.51666	7.3
85.02805	9.8
89.02320	91.3
99.00741	43.6
101.02312	49.3
113.02349	8.5
131.03423	14.5
149.04491	31.1
177.05539	9.9
191.05557	19.3
253.04936	8.8
269.18079	8.2
311.05875	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01254	5.8
72.19829	1.3
73.02827	1.5
85.02844	3.8
88.54852	1.1
95.30279	1.2
101.02334	3.2
113.02338	1.6
132.87166	1.3
161.04520	3.0
169.11832	1.3
191.04973	1.3
229.74707	1.9
269.10287	2.5
275.17007	1.2
281.57169	1.3
297.32977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0983
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.01762	1.8
57.03328	1.4
58.00470	4.4
58.94532	1.4
59.01251	100.0
64.00507	1.5
69.03325	11.0
69.46531	6.7
69.46962	5.9
71.01253	51.1
72.99176	3.9
73.02820	4.0
75.00742	3.0
83.01257	3.7
85.02826	8.9
87.00768	1.6
89.02318	56.6
95.01274	3.0
98.20519	2.9
101.02320	32.1
104.38200	1.3
113.02320	19.4
119.03385	20.6
121.26938	1.6
131.03409	7.6
143.03392	1.6
148.71587	1.4
149.04480	2.2
153.12721	1.6
161.04428	2.1
179.05527	2.3
221.40005	1.2
253.41884	1.5
311.09833	66.9
312.10098	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.6
57.03331	2.7
58.00463	5.4
59.01251	100.0
64.70873	1.2
69.03326	9.5
71.01254	58.7
72.99178	6.9
73.02819	4.3
75.00721	1.8
80.60574	1.6
83.01266	2.7
85.02825	11.2
87.00762	3.7
87.04361	1.9
89.02316	65.9
93.03347	3.0
95.01255	4.9
96.81660	1.4
101.02325	44.5
108.79791	1.2
113.02348	23.3
116.47047	1.4
119.03391	29.5
119.04909	4.0
125.02335	1.3
131.03400	10.7
135.04358	1.7
136.30014	1.4
137.02379	2.0
142.51797	1.7
143.03421	3.4
149.02440	2.7
149.04492	3.8
161.04453	3.3
163.03879	8.0
172.09236	1.3
173.04482	2.8
177.05495	1.7
178.46011	1.2
179.05501	2.8
191.05559	2.4
249.11166	1.6
267.93362	1.5
293.08704	2.7
311.09839	94.6
312.10300	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03322	2.6
58.00476	4.9
59.01252	100.0
60.01585	1.2
62.67486	0.5
69.03329	11.9
70.92313	1.4
71.01254	63.8
72.99181	9.0
73.02825	4.8
75.00748	2.7
83.01257	3.9
84.02075	0.6
85.02824	15.1
87.00755	6.8
87.04386	1.7
89.02319	63.4
90.02679	0.9
95.01279	4.2
97.02859	0.6
99.00773	1.5
99.96868	0.5
101.02324	39.0
102.02695	0.7
103.00291	1.3
103.03864	0.7
111.00805	0.6
113.02331	20.9
115.00275	2.2
117.01870	1.0
119.03396	25.9
120.03734	0.7
125.02304	0.6
129.01848	1.2
131.03395	9.8
133.01344	2.0
139.00240	0.7
143.03381	2.5
149.04485	2.5
151.06075	0.9
153.58185	0.6
161.04523	2.3
179.05545	2.8
215.39099	0.6
251.07677	1.0
253.75505	0.5
293.05240	0.7
293.08707	1.7
311.09836	71.8
312.10065	3.8
324.45639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78140	10.7
64.22410	9.3
64.61060	10.2
67.61456	10.1
71.06682	14.4
102.80307	10.8
121.10082	16.8
125.09589	17.6
125.43082	11.6
137.09622	18.7
138.09909	21.3
141.09145	10.8
144.05727	11.6
147.89032	10.3
163.88896	12.5
171.10193	54.6
172.10547	43.4
183.01123	11.4
185.11708	17.6
186.12097	19.8
276.20361	15.3
292.19949	83.0
310.21045	100.0
311.16806	29.6
311.22153	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
58.00470	3.4
59.01249	100.0
69.03323	8.5
69.93557	2.1
69.93964	6.2
71.01251	51.1
72.99170	4.0
73.02834	2.8
75.00757	1.5
83.01250	2.5
85.02820	10.9
87.00742	2.3
89.02316	54.5
89.35297	1.6
92.00641	1.5
95.01251	3.1
101.02319	33.8
113.02330	18.3
119.03391	25.0
131.03383	3.8
136.80595	1.4
152.59219	1.4
161.04475	2.4
162.91248	1.3
179.05540	3.3
311.09833	68.3
312.10284	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2435
Annotation	AS 183
Peak:m/z	Relative Intensity
54.96839	1.1
57.03310	2.4
59.01247	5.2
69.03313	3.3
70.76462	1.2
71.69704	1.0
79.13941	1.1
79.95567	1.5
83.04910	2.0
89.73703	1.2
96.95872	7.3
97.02838	2.1
97.06476	1.5
113.09624	1.8
119.08534	4.2
123.08088	1.4
125.09593	5.0
127.11147	2.1
137.09625	12.5
138.09976	1.1
139.11169	2.0
141.12744	1.9
143.72643	1.1
151.03908	1.1
151.07539	4.0
151.11191	2.1
152.08308	2.4
155.10732	1.3
165.12749	2.3
167.10634	1.7
171.10176	69.3
172.10469	3.1
183.13821	1.7
185.11761	5.2
186.12010	1.2
197.11795	1.3
199.09766	1.4
200.10448	1.4
201.11258	3.6
209.11635	1.3
209.15356	5.5
211.13258	2.0
213.11143	1.9
247.20607	4.3
247.24185	1.4
251.16414	1.7
261.47809	1.0
265.21729	2.0
273.18579	2.5
291.19626	28.4
291.23270	62.8
292.19913	3.1
292.23627	5.9
296.22116	1.1
309.11206	1.7
309.17163	14.5
309.20673	50.3
309.24326	100.0
310.17801	1.4
310.20981	4.2
310.24655	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03320	1.0
57.40547	0.9
64.50879	1.0
69.03317	1.1
70.91571	1.8
83.31592	1.0
84.02036	1.1
89.17265	0.9
95.04899	1.6
98.20460	1.1
123.08092	1.7
125.09647	1.9
137.09624	3.7
138.39935	1.2
141.12781	1.6
155.69055	1.1
163.11192	4.3
165.12767	9.7
166.09941	1.0
171.10168	3.9
179.14276	2.5
181.12268	2.8
183.13902	1.4
193.15900	3.0
209.11780	2.5
223.13324	2.6
227.12860	3.9
247.20586	8.6
273.18692	3.4
291.19659	100.0
292.20026	8.0
309.20703	77.7
310.21024	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74829	0.5
62.79693	0.4
69.03328	10.2
69.85706	3.1
75.33447	0.5
79.77050	0.5
83.04898	1.0
92.04645	0.5
93.03329	0.6
98.24007	0.5
107.08546	2.1
108.05682	2.8
116.75082	0.5
118.50523	0.5
119.08549	12.6
120.08907	0.5
123.08042	0.5
125.09634	1.1
127.11176	2.2
135.08034	5.3
137.09619	60.3
138.09970	1.9
140.31018	0.5
153.09058	0.6
171.10181	100.0
172.10541	3.7
200.10480	0.7
201.11218	8.0
229.19576	0.8
252.73048	0.6
273.18665	4.4
291.19717	7.6
309.20721	16.4
310.20917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73097	1.8
53.84271	1.4
57.03300	2.0
69.03324	1.8
70.11186	7.4
71.04891	23.5
74.88103	1.4
80.80157	1.6
81.03371	2.0
88.82075	1.7
89.53423	1.7
93.06945	2.6
97.06482	6.2
121.10110	9.6
123.08028	2.7
125.09617	9.9
137.09619	24.7
157.65419	1.7
171.10178	51.3
171.28429	2.0
185.11742	12.4
197.11832	1.9
207.13681	1.9
209.11710	3.0
219.13823	1.9
237.14856	2.0
251.16519	43.8
252.16844	2.6
273.19006	2.0
275.26917	1.5
291.19675	100.0
292.20020	6.5
309.17270	3.8
309.20731	63.2
309.24307	3.6
310.21072	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14252	0.9
53.54426	1.0
57.03324	3.7
59.01235	1.5
61.30124	1.0
65.54847	1.0
65.85802	1.1
66.74106	1.0
69.59280	7.8
69.59690	1.9
71.04896	17.0
95.04916	1.3
96.59769	1.0
97.06477	5.9
107.04953	1.6
119.08587	1.3
121.10138	9.1
123.07995	1.5
125.09641	7.2
131.51176	1.1
133.06509	1.0
137.09630	22.3
171.10196	42.4
185.11807	13.9
186.12067	1.4
197.11830	2.2
207.13930	1.7
211.13385	1.2
219.13889	3.1
235.16789	1.5
237.14902	2.2
247.20592	1.6
251.16524	42.4
252.16888	3.0
273.18512	1.5
291.19675	100.0
292.20029	8.1
309.20724	56.2
310.21014	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	4.3
57.67379	2.4
59.01251	6.8
61.59713	2.5
71.34901	4.9
79.95605	6.3
80.02542	6.8
95.04892	3.0
95.95114	2.6
96.95883	49.9
97.02836	3.2
97.06487	4.3
106.63031	2.3
106.90972	2.4
114.72934	2.6
122.97418	3.0
123.08057	12.2
125.09598	16.2
127.11172	5.9
128.70351	2.5
137.09636	16.6
139.11180	5.1
141.09163	4.2
151.07639	4.0
152.08337	4.1
153.09122	4.5
153.12871	2.9
155.10672	34.7
167.10696	5.6
171.10185	81.8
172.10536	4.8
185.11754	56.6
186.12146	3.9
201.11136	3.4
209.15305	3.0
241.51039	2.9
247.20607	5.7
263.20157	7.1
273.18506	2.9
281.21259	7.8
282.21811	3.0
291.19653	42.2
292.19968	4.3
293.08539	2.8
309.17319	52.5
309.20718	100.0
310.17776	4.2
310.21066	8.2
327.42184	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03312	1.3
59.01242	1.8
71.35977	1.2
75.28832	0.7
83.04915	0.9
91.33479	0.6
96.95869	1.5
97.06471	1.9
105.37980	0.6
123.08038	2.2
125.05998	0.7
125.09616	6.8
125.94018	0.7
135.08070	0.9
137.09633	2.0
139.11160	1.0
141.09088	2.8
141.12813	0.8
146.49463	0.7
151.07561	0.7
153.09167	3.1
153.12755	0.9
155.10669	1.7
167.10632	0.8
171.10168	4.1
179.70667	0.7
185.11856	0.8
187.79260	0.7
195.13771	0.8
199.09669	1.8
200.10457	1.9
201.11200	1.6
213.11263	1.1
247.20654	3.4
263.20120	2.0
265.21854	1.0
273.18549	1.8
281.21008	0.8
291.19693	11.0
292.19913	2.0
309.20706	100.0
310.21033	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.9
67.01758	2.5
69.26804	14.1
69.27231	15.5
75.80251	2.4
80.02549	10.9
81.03332	5.5
83.04903	32.6
84.02046	12.9
90.43170	2.3
97.06448	4.1
99.08036	8.6
109.06477	4.0
113.09566	2.7
115.07477	4.2
125.09610	4.9
127.11137	4.9
137.09622	43.8
139.11163	7.9
151.11153	6.0
153.09091	9.1
155.10681	59.0
167.10661	5.5
171.10193	58.7
193.12280	30.1
209.11919	3.6
211.13080	2.9
247.20671	8.1
263.20129	5.9
265.21686	4.4
278.44919	2.4
291.19672	100.0
292.19940	6.4
309.20685	71.3
310.20926	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.9
57.39690	0.4
58.00462	0.6
59.01251	1.0
69.03327	0.7
70.01929	0.6
70.02337	1.7
71.01266	0.5
73.02811	0.5
83.04897	1.3
97.02854	0.6
97.06459	1.6
103.39989	0.4
115.73566	0.5
123.08041	1.8
125.05980	1.1
125.09608	6.3
127.11178	1.5
137.09631	1.6
139.11162	1.2
141.09114	1.8
141.12743	0.7
143.10690	0.6
151.07520	0.5
151.11255	0.6
153.09128	1.5
155.10698	1.3
155.14354	0.8
165.09161	0.6
168.11371	0.5
169.08636	0.6
171.10202	4.2
181.12187	0.4
183.13840	1.1
191.22253	0.5
192.15099	0.5
193.15869	0.6
195.14082	0.5
199.09686	6.6
200.10464	7.9
201.11237	4.6
202.11725	0.5
213.11296	1.3
219.17763	0.5
247.20633	7.5
248.21001	0.6
263.20184	0.7
265.21741	1.9
273.18585	1.5
281.21283	0.9
291.19659	16.1
292.19986	0.7
309.20706	100.0
309.62531	0.5
310.21060	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.3
59.01249	2.3
69.03312	3.9
71.04885	1.3
83.04924	1.5
90.55967	1.2
97.02814	1.3
107.08561	1.7
108.05635	1.2
111.08031	2.1
119.08549	13.5
121.10120	1.1
123.08065	1.6
125.09627	7.0
127.11190	2.4
131.28600	1.1
135.08035	1.2
137.09622	32.2
138.09985	1.2
139.11237	1.8
148.02858	0.9
151.11174	2.5
153.09070	1.2
153.98326	1.1
155.10672	2.8
167.10657	3.8
171.10185	100.0
172.10507	4.1
183.10124	5.7
185.11763	23.0
186.12143	1.4
195.10161	2.2
197.11710	4.6
201.11282	7.7
211.13383	1.5
213.11234	8.4
229.19583	2.6
273.18579	9.8
291.16373	2.1
291.19669	36.2
292.19968	4.5
309.11179	2.8
309.20731	29.5
310.21115	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	2.5
59.01248	1.5
61.83686	1.5
63.61003	1.5
64.97182	1.7
69.03320	8.7
69.25104	1.8
69.85364	2.9
69.85780	6.6
76.31641	1.5
80.60481	1.7
81.03323	2.0
83.04887	1.7
86.03114	1.9
97.02837	9.9
98.19868	2.7
102.08440	1.5
106.04185	1.5
119.08519	9.7
119.25270	1.9
123.08038	1.4
124.91172	1.7
125.09663	2.4
135.08047	4.1
137.09610	38.0
163.11185	2.3
165.12701	5.8
171.10190	51.0
172.10460	3.6
193.12292	2.5
193.15950	2.1
195.13843	1.7
201.11206	9.1
201.51147	1.8
209.11784	2.5
211.13417	4.1
221.15488	2.5
223.13239	2.5
227.12914	5.2
247.20685	7.7
273.18625	5.2
291.19656	100.0
292.19922	5.8
309.20694	60.5
310.21146	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83473	1.3
54.06678	1.3
57.03311	2.4
59.01230	1.5
68.47153	1.3
69.03332	8.8
71.18325	3.0
71.39598	1.4
83.04909	2.5
85.02805	3.9
97.02830	58.6
109.06532	1.4
111.08021	4.6
119.08563	8.5
125.09600	4.1
135.08064	2.5
137.09630	32.2
138.09863	1.4
149.09724	1.7
171.10182	59.8
177.12778	1.9
185.11763	5.5
195.13844	1.7
197.11790	1.4
201.11301	3.4
211.13322	5.1
221.11879	8.1
229.19502	2.2
239.12987	6.9
239.14966	1.6
247.20604	2.1
273.18564	6.2
291.19644	43.2
292.19958	3.1
309.11304	10.6
309.20691	100.0
310.20917	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65514	1.3
53.70739	1.3
57.03320	3.2
58.00458	2.6
59.01228	4.3
69.03316	6.7
70.93916	1.3
71.01215	1.8
83.04886	1.9
107.08503	1.8
108.05659	1.9
119.08556	20.3
121.06450	1.6
125.09605	9.4
127.11172	4.2
135.08055	2.3
137.09621	40.8
138.09946	1.6
149.09547	1.7
151.11284	1.5
155.10666	4.8
167.10727	2.9
171.10185	100.0
172.10522	2.8
183.10152	5.3
185.11763	26.6
195.10126	3.8
201.11324	8.0
213.11252	13.0
222.99608	1.3
229.19543	5.0
235.76889	1.6
247.20560	1.8
273.18576	12.2
291.19653	27.9
292.19998	2.6
309.20706	52.5
310.20999	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.83352	5.1
59.01250	17.2
63.09777	6.1
64.84941	5.5
68.90108	5.7
69.28214	58.1
96.95859	27.4
105.02711	6.4
107.34373	5.3
116.50807	5.6
117.17781	5.6
125.09689	7.2
130.98877	5.0
137.09601	18.9
145.71260	5.1
151.03937	9.8
151.07607	6.8
152.08380	8.8
171.10223	51.4
185.11743	14.3
209.15398	16.7
227.20096	21.4
247.20596	8.4
273.18756	8.1
291.19623	57.8
309.11533	7.0
309.17242	41.4
309.20731	100.0
310.21100	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72786	1.7
54.06135	2.0
63.00700	1.8
67.01763	3.2
109.06441	4.0
121.10108	13.1
123.08057	1.8
125.09617	6.9
137.09618	6.1
167.14352	2.6
171.10168	15.6
185.11725	11.5
197.11760	3.2
211.13359	67.4
212.13644	4.5
225.05536	5.4
226.06306	8.6
253.04988	3.8
254.05856	8.8
285.25589	2.0
291.19669	100.0
292.20020	6.1
309.11334	44.9
309.20755	4.8
310.11850	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01247	0.4
61.62107	0.3
69.03314	0.3
69.55042	0.2
70.94504	0.3
70.94839	0.5
71.48566	0.2
79.05401	1.1
93.03333	8.7
95.04906	0.5
96.95869	0.3
97.02842	0.5
99.18269	0.3
107.04921	3.1
109.06466	0.6
119.04915	100.0
120.05251	3.6
121.02866	0.5
121.65443	0.3
130.24724	0.3
133.02837	0.3
134.03603	1.2
135.04425	0.4
137.09599	1.3
145.10165	0.4
147.04417	2.6
148.05183	0.9
151.11201	0.4
159.04420	1.3
166.02605	1.1
171.10175	1.9
173.06012	1.1
174.06763	1.0
177.09099	0.4
185.11774	0.4
189.09140	45.7
190.09476	2.3
195.10127	0.5
197.11708	0.4
201.11310	0.3
203.10709	21.0
204.11136	1.2
211.13326	0.8
215.10724	1.6
221.15367	0.3
235.17126	0.3
235.85197	0.3
242.73193	0.3
273.15131	0.3
273.18637	0.4
291.16238	0.6
291.19547	4.3
292.20139	0.3
309.11395	0.5
309.14871	2.2
309.20667	6.6
310.20932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
58.00462	2.6
59.01252	100.0
70.80315	3.0
70.80663	2.2
71.01259	47.8
71.04861	2.4
72.94038	1.5
72.99170	5.0
73.02795	3.3
75.00739	3.5
83.01268	2.5
83.04912	2.1
85.02831	10.6
87.00768	2.9
89.02322	50.5
95.01255	2.9
99.04379	1.9
101.02324	36.3
111.04428	3.6
113.02332	16.1
119.03391	21.3
125.65435	1.9
126.30969	1.6
129.05469	19.9
131.03398	2.1
143.03351	2.3
147.06540	12.7
161.04462	2.3
187.90388	1.9
224.31276	1.8
268.48987	1.8
309.11914	95.0
310.12375	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03656	2.5
70.54751	0.5
83.86385	0.5
109.06477	9.3
110.06779	0.7
127.61723	0.6
157.02847	3.3
167.58267	0.6
183.18390	0.6
196.05246	1.8
197.05983	2.2
199.03941	4.4
199.13416	0.7
211.04001	0.6
211.13350	3.4
212.04721	2.5
225.05525	9.2
226.06299	16.0
240.04277	3.5
241.05057	1.4
251.16484	1.3
253.05064	7.3
254.05818	16.4
255.06218	1.2
255.25668	0.6
257.12039	0.6
265.05072	2.4
265.12286	1.5
266.05756	0.8
286.04825	2.6
289.58484	0.6
291.19577	4.3
309.11319	100.0
309.20746	2.2
310.11676	8.4
311.35846	0.5
315.38663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1139
Annotation	Moracin N
Peak:m/z	Relative Intensity
53.30912	1.0
57.03316	1.9
59.01247	1.1
60.27964	0.7
63.60238	0.7
67.01752	1.4
69.03326	7.3
69.24255	7.5
69.24673	2.6
69.43368	0.7
77.05335	0.9
83.04893	2.7
85.02841	5.4
88.95354	0.7
97.02831	56.8
97.06447	1.0
98.03165	0.9
109.06484	1.1
111.08048	3.6
112.81451	0.8
119.08571	6.8
125.09628	4.2
137.09631	27.8
137.43445	0.8
155.10661	1.9
163.11217	0.9
167.10590	1.5
171.10182	49.1
177.12793	1.6
179.10683	1.1
185.11794	4.6
195.13844	3.2
201.11166	1.0
211.13335	3.8
213.11157	1.4
221.11842	5.1
239.12837	6.6
247.20622	2.0
254.05659	1.6
273.18619	5.0
286.04861	1.4
291.19672	37.0
309.11359	16.0
309.20703	100.0
310.11682	1.0
310.21036	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88321	0.7
59.01257	4.2
70.26314	0.8
94.08109	0.7
95.04881	0.9
98.20541	2.0
123.08055	1.4
125.09614	1.8
149.09578	0.8
149.99261	0.8
171.10237	0.9
177.12813	1.0
177.16489	1.4
179.14346	1.9
185.11668	1.1
199.13351	2.5
205.15919	1.6
223.13451	2.7
231.21127	6.1
245.18996	1.3
257.19189	1.6
275.20157	100.0
276.20459	10.2
289.18079	7.1
307.19171	11.2
307.22806	27.4
308.19601	1.8
308.23117	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
59.91133	0.4
71.01258	0.8
75.31310	0.4
76.73632	0.4
85.02818	1.3
91.05405	0.6
93.03337	0.5
98.19777	1.2
101.95911	0.4
107.04889	2.3
107.06603	0.4
108.02050	3.4
109.02853	0.7
111.00766	0.8
121.02859	3.0
122.03632	1.2
124.01557	6.2
125.02350	3.0
126.03101	0.6
133.02867	0.7
134.03644	3.1
135.04419	100.0
136.04738	9.2
137.02339	0.8
149.06007	0.5
150.03114	3.9
151.03917	10.9
161.02357	0.8
162.02763	0.6
163.03880	0.6
179.03429	8.6
179.04912	0.5
180.03772	7.6
196.68118	0.4
229.75606	0.6
290.07999	0.8
308.08707	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01253	0.4
61.67432	0.2
66.80110	0.2
66.93022	0.2
71.57207	0.3
71.57580	0.4
74.69566	0.2
75.45141	0.2
78.31093	0.2
79.10950	0.2
96.95885	1.5
100.63845	0.2
130.04300	0.2
139.11162	0.3
149.05528	0.3
213.14758	0.2
245.19067	0.4
254.29295	0.2
271.81271	0.3
279.27158	0.2
289.18130	0.7
307.22766	100.0
308.23108	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06101	0.8
52.72858	0.9
57.18144	0.8
59.01249	6.9
61.90306	0.9
65.34854	0.8
69.40752	3.4
69.41184	4.9
70.77298	0.9
71.01260	1.0
83.04923	1.2
98.20530	1.6
107.44747	0.9
177.12755	1.1
177.16299	1.5
179.14285	3.6
195.13730	1.8
205.12263	2.4
205.15895	3.7
209.11601	1.0
213.57622	0.9
223.13364	11.1
231.21152	8.8
231.81053	0.8
275.20157	100.0
276.20526	9.5
289.18024	2.6
303.60953	1.1
307.19232	4.4
307.22739	46.8
308.23114	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.8
59.01240	5.4
65.03788	1.3
70.99323	2.0
70.99672	2.5
71.01247	2.1
83.04906	2.7
95.04905	1.4
96.95882	2.0
97.06428	3.7
112.08658	1.1
115.30880	1.4
121.06442	3.6
123.08061	7.0
139.11232	2.2
149.09601	3.5
151.11188	29.6
152.11548	1.8
153.12744	6.0
161.04356	1.3
165.12788	1.9
174.29643	1.3
177.12784	10.0
177.16226	2.0
179.14430	5.7
191.14380	1.6
197.11778	16.1
199.13319	4.7
205.15915	4.5
231.21123	4.6
233.19064	1.9
257.18893	2.0
275.20163	88.5
276.20425	7.3
277.21643	1.7
289.18149	13.3
307.19183	20.5
307.22778	100.0
308.19839	1.9
308.23105	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Albocycline
Peak:m/z	Relative Intensity
51.04239	1.1
57.03326	3.4
59.01245	3.4
69.35243	7.3
69.35662	6.2
78.07248	1.4
87.90163	1.6
92.40383	1.3
96.95896	4.3
98.19664	1.2
98.52849	1.2
106.04058	1.2
109.02848	1.7
115.38669	1.5
121.06459	3.7
123.04410	6.0
123.08051	12.5
139.11188	5.2
142.02631	3.0
147.45795	1.2
151.11217	2.2
155.14360	2.4
171.10172	2.0
199.13339	26.0
233.15483	2.1
239.82701	1.2
245.18993	8.3
247.16959	1.3
248.88379	1.5
271.17139	2.9
289.14767	1.9
289.18091	62.2
290.18454	6.3
307.19162	100.0
308.19424	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03310	2.7
59.01249	3.9
69.29029	11.4
71.01256	1.1
80.02533	1.4
84.69919	1.1
86.30238	0.9
93.03313	1.2
97.06478	3.3
107.04898	1.2
107.08566	1.7
119.08539	2.5
121.06483	2.2
123.08054	7.2
125.05967	1.4
125.09605	8.0
135.08057	2.2
137.09628	7.3
139.11174	2.8
141.09099	1.3
149.05963	1.3
151.07623	1.3
151.11186	1.6
153.09029	1.1
162.40654	0.9
165.12729	1.2
167.10712	1.9
168.19492	1.2
169.12265	1.4
180.11516	1.7
181.12260	2.0
185.11765	1.8
187.09694	1.1
191.14371	4.8
199.09717	1.7
199.13222	1.1
209.15460	3.6
213.11218	3.5
213.90387	1.1
217.15921	1.3
245.19096	22.5
246.19351	2.1
263.20132	7.0
271.17081	2.7
275.64487	1.1
279.19742	2.0
289.18115	40.1
290.15479	1.1
290.18484	3.6
307.19159	100.0
308.19446	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Albocycline
Peak:m/z	Relative Intensity
57.03312	6.6
88.04017	3.5
123.04433	5.9
123.08068	21.3
139.11206	11.0
142.02643	4.0
155.14409	3.6
199.13338	36.4
245.19006	10.7
247.16919	3.9
289.18094	72.7
290.18408	7.3
307.19174	100.0
308.19473	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69828	0.7
55.01763	2.6
57.03320	3.7
58.55474	0.8
58.85994	0.9
59.01265	1.5
61.98708	1.5
65.03834	45.2
69.03316	1.6
70.06728	5.3
71.04892	47.6
80.02534	1.5
81.03316	1.0
83.04887	3.9
93.03353	1.0
95.04845	1.1
97.06473	44.3
109.06480	3.5
119.08558	7.8
121.06488	70.5
122.06825	2.6
123.08063	3.6
125.09612	30.4
126.09949	1.3
135.04416	2.0
137.09689	4.5
141.12764	1.6
151.11206	1.9
165.12772	1.8
167.80164	0.9
171.10190	1.0
185.11758	53.5
186.12073	2.1
191.14336	2.2
199.13313	2.2
209.11766	23.7
211.13333	31.2
212.13614	2.0
217.12265	2.0
233.15440	2.0
235.13364	100.0
236.13799	6.1
245.19070	4.0
251.16516	1.1
262.49600	1.0
263.20212	1.1
265.05023	1.2
279.19650	1.1
289.18121	18.7
290.18576	1.3
307.19144	25.2
308.19476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.4
59.01243	7.1
69.03326	3.6
71.01244	4.2
71.17820	5.0
74.55157	2.3
83.04909	4.0
93.06978	6.6
95.04899	3.9
97.06471	10.3
106.04129	7.5
107.08533	4.5
109.06490	4.7
111.08027	6.3
112.50268	2.8
121.06494	38.6
123.08053	5.1
125.09608	22.5
127.11183	6.0
135.08064	21.9
137.09596	7.8
139.11162	3.2
141.12781	2.8
149.09633	3.8
151.11201	11.8
153.09125	21.5
153.93890	2.6
155.10654	9.5
163.11119	2.7
165.12744	11.6
167.10645	7.4
171.10184	68.2
172.10555	4.1
177.12785	3.4
181.12265	12.6
185.11757	100.0
186.12126	6.1
191.10672	5.7
191.14294	6.1
198.67284	2.7
205.12276	4.1
209.11818	22.3
211.09685	2.8
211.13353	7.9
212.10484	11.3
245.19090	25.8
261.18506	9.1
263.20099	11.4
271.17194	4.2
279.19574	13.0
289.18088	38.5
290.18314	3.4
298.35883	2.7
303.69916	2.8
307.19174	73.2
308.19397	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.78189	0.5
57.03328	3.7
57.03556	0.6
59.01241	2.5
65.03812	0.6
69.03333	1.0
69.87939	2.9
81.03329	1.1
97.02831	0.7
97.06443	0.8
107.04913	1.5
110.03640	1.4
121.06467	2.2
123.04398	4.2
123.08045	13.9
123.56440	0.7
124.08353	0.6
125.09608	0.8
135.04369	0.9
137.09558	1.3
139.11198	6.1
142.02655	3.0
149.05959	1.7
149.09624	0.8
151.11189	2.2
153.12706	0.7
155.14336	3.5
177.12804	1.1
179.03397	1.2
183.10197	1.0
185.11755	1.9
191.14343	0.9
199.13333	28.1
200.13654	0.7
201.11234	0.8
212.03848	0.7
217.15764	0.6
221.11766	2.0
233.15504	1.4
239.12798	0.9
243.17450	1.0
245.19063	8.7
247.16925	1.4
261.18637	1.1
263.20087	1.5
265.18243	1.0
271.17108	2.5
289.18091	58.2
290.18408	4.7
307.19135	100.0
308.19394	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03318	0.8
59.01248	4.1
66.62351	0.5
69.03316	1.0
71.01254	1.6
71.04888	6.9
71.58918	0.7
80.02535	1.4
81.03328	2.2
81.03780	0.5
83.04891	2.2
85.02817	0.5
93.03345	0.9
93.07011	0.5
95.04897	2.7
96.95860	1.0
97.06478	1.5
98.03610	1.9
101.02335	0.6
106.04124	1.8
107.04902	1.2
109.02853	0.8
109.06472	13.9
110.06831	0.5
111.04409	7.3
111.08039	1.5
112.05197	1.1
119.04912	0.5
119.08553	4.7
121.06484	2.3
123.04430	0.8
123.08058	1.9
125.09603	1.6
127.07520	3.5
133.10133	0.6
135.04372	2.7
135.08070	3.4
137.09601	1.3
143.10709	1.0
144.00827	0.4
145.06470	2.4
149.06013	0.6
149.09639	1.2
151.11180	1.4
153.09074	0.5
161.02383	0.7
161.04465	0.5
163.11179	0.5
167.10684	3.0
169.12234	0.6
171.10251	2.5
177.12782	0.7
179.03410	2.0
179.10692	1.0
181.12199	1.0
185.11826	2.2
191.14398	1.0
195.13852	4.6
204.84923	0.5
219.10225	0.6
233.15431	0.6
235.13412	2.7
245.19046	7.3
247.17088	0.5
249.14821	0.8
251.16521	1.9
261.18723	0.7
271.16977	2.1
273.15009	0.9
284.76254	0.5
287.16544	2.4
289.18091	100.0
290.18417	8.1
307.09857	0.9
307.19119	15.5
308.19516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.05976	2.2
56.16982	2.2
57.03320	8.5
58.42453	2.0
59.01265	5.4
66.79479	2.4
69.03330	2.8
69.57366	21.0
71.01263	4.3
71.04868	2.2
75.81579	2.1
79.26115	2.5
83.04894	3.3
91.99643	2.3
97.06488	13.7
109.06484	3.7
111.08051	7.9
123.07993	3.2
125.09570	4.4
137.09615	3.9
138.05840	2.3
141.12706	2.7
149.09615	6.6
151.11224	18.2
153.09106	3.5
153.12758	3.0
155.10675	11.1
163.11182	4.9
165.12785	16.2
167.10638	4.9
169.12212	3.2
171.10216	2.5
179.10716	6.1
181.12254	13.9
191.10767	7.9
191.14365	7.8
205.12292	3.2
209.11792	27.3
211.13365	8.4
224.10454	2.8
245.19093	36.3
246.19366	3.0
263.20114	19.2
271.17117	3.6
279.19638	3.6
289.15329	1.8
289.18106	50.6
307.19165	100.0
308.19513	8.2
316.32675	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.9
59.01246	8.9
69.03355	1.5
70.11503	5.3
71.04880	2.6
71.13412	1.8
80.02548	2.3
81.03335	6.6
83.01260	6.3
83.04906	5.1
93.03331	1.6
95.04912	5.7
97.02830	6.8
97.06474	15.6
98.20501	1.7
106.04130	2.0
109.06470	1.8
121.06490	4.1
121.10099	2.3
123.04424	9.2
123.08035	5.9
125.05945	2.3
125.09627	21.2
135.08066	5.1
137.09634	18.6
141.12775	3.3
142.02615	1.7
149.06047	3.8
151.07599	1.7
163.07509	2.1
163.11185	16.6
165.12801	3.2
167.10623	2.8
171.10147	3.7
177.12782	2.0
179.10590	1.7
181.12308	4.5
185.11745	27.4
191.10748	2.3
191.14365	22.2
192.14900	1.5
207.10208	12.8
209.11787	26.1
211.13322	1.7
217.16026	2.9
225.11327	12.4
245.19083	45.3
246.19432	3.0
263.20123	2.2
271.17029	5.6
289.18100	100.0
290.18591	8.4
290.21463	1.8
307.19153	52.7
308.19794	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85397	1.8
57.03328	1.8
59.01254	1.8
68.99141	1.5
70.09335	3.8
70.09727	4.6
70.48222	1.6
70.84326	1.5
73.27522	1.7
80.88225	1.5
81.03353	1.7
95.01212	1.6
97.06459	2.9
107.04925	1.8
107.08529	8.8
109.06488	2.1
119.08547	4.3
121.06503	2.7
121.10130	1.6
123.04405	4.2
123.08022	12.6
125.09612	7.6
133.26773	1.9
135.08034	1.8
137.09605	3.7
139.11189	4.9
151.11125	3.2
155.14334	2.5
165.39932	1.7
171.10214	3.6
181.12161	1.6
199.09656	11.4
199.13322	21.3
200.10411	4.0
209.15411	2.7
213.11366	2.9
226.12103	1.9
241.82256	1.8
245.19044	19.3
246.19574	2.1
263.20203	3.2
271.17126	2.3
279.19650	2.3
289.18103	62.0
290.18466	3.7
307.19144	100.0
308.19516	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.9
57.42326	1.9
59.01247	13.8
63.93211	1.7
69.46553	15.9
71.04897	2.2
80.02550	4.0
81.03326	3.8
86.74282	2.2
87.72632	1.9
95.04896	5.0
97.02827	11.9
97.06464	4.1
109.06437	3.3
110.27514	2.0
121.06480	3.7
123.04391	9.5
123.08067	9.5
137.09669	4.1
139.11200	4.6
149.09612	7.8
151.07539	3.3
151.11179	10.6
152.08423	2.1
153.09125	2.2
153.12778	3.3
161.24129	1.8
165.12715	5.2
177.12753	2.1
189.12889	2.2
191.14308	7.9
199.13441	2.3
209.11775	7.6
217.15970	3.3
238.12021	3.1
244.75826	2.1
245.19090	71.9
246.19359	5.5
265.18027	4.8
271.17166	2.1
289.18112	100.0
290.18387	6.7
307.19321	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.0
57.03319	3.5
64.24519	1.6
65.03836	68.6
71.04892	38.8
78.97350	1.8
97.06472	66.9
98.06824	1.8
98.20717	1.9
107.41335	1.7
118.96026	1.6
119.08587	12.8
121.06489	100.0
122.06820	4.1
123.08053	4.9
125.09619	45.3
126.09995	2.4
132.55415	1.8
137.09639	5.1
141.12770	2.9
166.70410	1.6
185.11763	83.8
186.12106	3.3
209.11775	31.3
211.13341	31.6
218.91331	1.7
235.13359	73.8
236.13756	3.8
289.18069	15.2
290.18530	1.9
304.57883	1.9
307.19199	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.35806	1.2
57.03322	2.9
58.95882	1.3
59.01241	8.2
59.67980	1.4
67.68018	1.4
69.03315	1.1
71.04877	1.4
80.02547	1.2
81.03322	3.5
83.04896	2.0
93.07016	1.8
95.04884	2.7
96.95892	4.7
97.02825	4.2
97.06497	2.6
101.63790	1.4
109.06511	1.6
111.08010	1.6
121.06513	3.6
123.04411	4.6
123.08057	8.9
125.09604	7.1
135.04420	3.2
135.08081	1.9
137.09610	6.4
139.11209	6.2
149.05971	1.5
149.09645	1.9
151.11105	1.5
163.11177	6.7
165.09085	1.3
167.10641	2.9
175.11108	1.4
179.03329	2.6
179.10678	1.3
182.84602	1.2
185.11722	15.3
191.14342	16.9
199.13309	3.5
202.13484	1.4
207.10191	5.1
217.04250	1.6
225.11259	5.4
227.12827	2.7
245.19089	32.4
246.19479	2.5
247.16939	1.4
261.18527	2.3
263.20151	2.7
271.17065	4.0
289.18100	100.0
290.18353	7.5
307.19156	92.1
308.19504	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.2
57.03319	4.7
65.03834	67.3
66.04169	2.4
70.11813	7.1
71.04895	41.0
83.04913	3.1
84.81476	1.3
94.13426	1.7
97.06469	71.4
97.07103	3.6
107.02345	1.6
119.08540	12.3
121.06486	100.0
122.06830	4.3
123.08043	4.2
125.09610	48.4
126.09995	1.6
135.08121	1.6
137.09625	4.5
141.12750	2.9
141.43579	1.4
143.59741	1.4
154.61574	1.4
176.60086	1.4
178.57562	1.5
185.11760	77.4
186.12057	4.3
209.11766	33.8
210.12225	2.4
211.13339	32.2
217.12285	2.8
233.15593	1.5
235.13368	88.4
236.13701	7.6
251.65916	1.5
268.68985	1.4
289.18091	16.0
307.19162	16.1
308.19437	1.7
314.71262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27905	0.6
52.05642	0.6
53.65068	0.6
59.01246	3.1
69.03347	0.7
69.59063	4.2
71.04899	5.6
75.44137	0.6
80.02536	1.2
81.03334	2.5
83.04900	2.6
95.04913	2.9
98.03610	2.2
106.04121	1.1
107.04881	0.9
109.02872	0.7
109.06475	15.3
110.03640	0.5
111.04411	7.3
111.08028	1.6
121.06443	0.7
123.04443	0.7
123.08045	1.7
125.09483	0.8
127.07516	3.9
137.06020	0.9
137.09613	1.5
143.10661	2.0
145.06494	2.4
149.09662	1.2
151.11279	0.6
153.09088	0.7
167.10710	2.5
177.12857	0.9
179.10672	1.5
191.14330	0.9
195.13855	3.8
235.13284	1.8
245.19080	7.6
249.14928	0.9
251.16515	1.3
261.18649	0.7
261.92563	0.7
269.98868	0.7
271.17300	1.2
287.16550	2.9
289.18109	100.0
290.18472	9.0
307.19159	13.9
308.19583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1553
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
56.04483	0.4
58.49867	0.4
59.01247	0.4
69.39252	3.6
87.04390	1.1
93.03355	0.9
94.04118	0.6
108.02062	0.8
109.02813	0.9
119.04922	0.9
121.02876	2.5
122.02816	0.7
122.03643	9.9
125.09608	0.4
133.02856	0.4
135.04402	1.3
136.01591	0.7
137.02342	1.5
137.07103	0.4
145.35806	0.3
145.94263	0.4
147.04443	0.4
149.02359	10.6
150.03143	14.9
151.03603	0.7
161.02361	6.6
161.06062	0.4
161.70839	0.4
162.03049	0.8
163.03915	0.5
164.07118	0.5
170.84174	0.4
173.09546	0.5
175.11201	0.9
182.02173	2.7
189.05534	1.9
190.06242	1.1
191.07025	0.5
191.10695	1.2
217.08644	0.6
219.10207	3.3
279.16000	1.1
289.14410	1.0
295.36157	0.4
305.13797	1.9
307.15521	100.0
308.15863	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1552
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
57.03323	0.6
59.01241	1.2
65.03860	0.5
71.01260	1.2
71.58949	0.7
73.02824	0.5
80.96393	0.5
85.02821	0.8
85.30357	0.4
87.04389	0.9
93.03362	1.2
96.95871	1.0
101.02335	0.9
108.02096	0.6
109.02847	0.6
118.20329	0.5
121.02861	2.7
122.03642	8.8
127.88739	0.4
133.02878	1.1
134.03615	2.9
135.04396	2.3
136.01517	0.5
137.02348	1.0
145.06479	0.5
149.02357	9.9
150.03146	12.4
151.03526	0.5
161.02364	7.1
161.04468	0.8
163.03992	0.6
173.09492	0.5
175.11185	1.2
177.01942	0.5
177.09172	0.5
179.03380	0.9
182.02139	2.1
189.05414	1.5
191.10672	1.8
216.76668	0.5
219.10199	3.5
223.50919	0.5
279.15952	1.0
282.79599	0.6
289.14453	1.3
305.14020	2.1
306.93100	0.5
307.15506	100.0
308.15836	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01758	1.3
57.03317	1.5
58.00460	2.3
59.01251	58.7
61.51496	0.9
67.39052	0.7
69.43346	6.5
71.01254	29.6
72.99174	2.5
73.02814	4.2
80.47816	0.6
83.01261	3.4
85.02814	8.3
87.00745	1.7
89.01749	1.2
89.02318	24.4
94.96506	0.7
95.01250	2.0
96.95869	0.7
99.08036	26.0
100.96184	0.7
101.02324	23.0
102.18729	0.8
113.02332	12.1
119.03388	10.6
127.07559	4.6
129.09096	2.2
131.03369	1.4
135.04404	2.6
141.09099	2.3
143.05275	3.7
145.08609	81.5
146.08936	3.1
161.02315	0.8
161.04454	1.6
167.14009	0.7
179.03419	2.3
179.05527	1.2
187.09717	1.5
307.13986	100.0
308.14346	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.8
57.03317	1.7
59.01253	100.0
60.01579	1.1
69.83425	4.0
71.01257	25.3
72.99203	1.3
73.02823	7.5
83.01256	4.4
85.02830	11.9
87.00769	1.3
89.02318	7.8
95.01291	2.6
98.20560	0.8
99.00785	2.4
99.08038	1.0
101.02323	20.1
101.05977	0.9
109.02846	0.8
113.02332	9.3
119.03431	3.1
119.04948	1.0
127.07561	3.2
133.02875	2.5
134.03604	0.8
135.04422	19.7
145.08626	2.6
159.02896	1.9
161.02396	11.0
161.04451	9.9
179.03435	17.8
180.03770	0.7
193.14246	0.7
205.03581	0.8
236.01959	0.8
247.40305	0.8
265.12918	16.6
265.15604	1.0
266.13324	0.9
272.52884	0.8
289.18085	0.9
295.08707	0.9
307.08389	5.5
307.13992	13.4
319.33960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22240	0.4
53.81195	0.4
56.93479	0.4
59.01234	0.7
71.01228	0.5
74.98948	4.6
91.02080	2.6
93.00010	3.8
96.95872	0.5
121.02828	0.5
121.06477	0.7
125.09657	0.5
135.04451	0.6
137.09547	0.5
149.00847	3.2
159.08369	6.4
161.06317	1.6
185.11749	0.9
192.98027	0.9
206.99646	1.6
209.01213	2.5
211.13301	0.6
217.07217	0.9
223.02780	49.2
224.02837	3.2
225.00711	0.7
241.03831	2.2
275.06116	0.5
289.07550	1.8
289.18179	3.0
291.09100	100.0
292.09198	10.7
307.12271	1.7
307.19168	5.0
308.19376	0.5
309.10135	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.8
64.34386	0.4
69.64171	3.4
74.98950	5.2
83.66812	0.4
91.02078	2.2
93.00009	3.7
96.95393	0.4
111.08092	0.4
121.06443	0.9
123.08046	1.0
125.09606	0.5
135.04391	0.6
137.09674	0.5
149.00859	3.8
159.08377	6.8
161.04457	0.4
161.06293	1.7
191.14403	0.5
206.99655	0.8
209.01295	2.5
217.07164	0.8
223.02797	48.4
224.02876	4.0
225.00584	0.7
235.13431	0.9
241.03812	1.6
245.19075	1.9
263.20215	0.6
289.07590	1.5
289.18143	5.7
291.09106	100.0
292.09210	11.2
307.12195	1.7
307.19159	10.6
307.22604	0.7
308.19550	0.7
309.10120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10442	0.7
65.03827	2.4
69.30096	0.7
69.30491	7.0
79.05399	1.1
97.06500	0.8
98.20499	1.3
100.98492	0.6
106.48576	0.8
108.02080	0.9
109.02831	9.4
121.02858	1.8
125.09638	1.2
133.02847	2.1
134.03619	1.0
135.04370	1.2
135.08078	1.1
137.09576	0.8
141.06995	0.9
147.04376	1.3
153.07047	1.1
157.06523	1.8
166.26764	0.7
168.47314	0.7
173.06035	1.8
183.04449	1.2
185.05989	1.2
185.11729	0.8
193.10181	0.8
194.07481	0.7
195.11662	0.7
197.05983	6.2
209.11662	1.3
221.09639	1.7
222.06897	1.3
223.07602	5.3
224.08325	1.6
225.05722	0.9
230.92572	0.7
236.08250	0.9
237.09181	4.4
239.10773	2.7
245.09673	1.1
245.18991	0.8
247.07570	3.0
249.05464	1.6
261.09109	1.2
263.07004	3.2
263.10696	1.9
263.19446	0.8
264.04269	3.0
264.07867	2.2
265.08713	3.6
277.05084	2.4
279.10245	1.8
289.08722	3.1
289.18088	3.4
291.06610	7.0
292.07361	6.3
307.09741	100.0
307.19037	5.4
308.10120	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.8
71.01272	5.5
71.58465	4.3
72.00764	3.2
72.04420	20.3
73.02832	4.3
85.02840	3.8
87.05524	19.6
88.03931	15.7
91.05429	11.7
96.95908	2.5
97.03970	5.6
98.02353	2.3
99.05535	5.5
100.03928	100.0
101.02324	4.7
107.23824	2.1
109.03962	3.2
113.02340	3.7
114.01861	3.5
115.05021	90.3
115.25068	2.1
120.71930	2.1
134.03656	4.4
135.04445	8.7
144.02928	43.5
147.04475	4.9
164.07034	2.8
173.07104	2.8
176.07072	13.6
201.10210	11.2
213.19736	2.3
219.11452	3.5
235.10849	53.3
245.09282	19.2
261.08957	5.5
263.10437	8.2
291.27454	2.2
307.09250	3.7
307.12253	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.2
60.02760	0.5
64.61941	0.6
71.01258	2.1
73.02820	0.6
82.46552	0.5
83.01257	0.6
83.04913	0.8
85.02834	2.6
87.00730	1.0
93.03309	0.7
95.01286	0.9
101.02309	1.2
107.04927	1.9
108.02064	1.7
109.02884	1.5
113.02309	0.8
121.02858	1.6
122.03606	0.6
124.01556	2.4
125.02303	1.0
126.03118	0.8
126.82313	0.7
126.99575	0.6
127.03920	1.1
133.02809	3.0
134.03651	3.6
135.04419	100.0
136.04744	2.2
140.64929	0.6
149.97003	0.5
150.03120	1.5
151.03934	4.4
161.02388	5.8
179.03426	75.9
180.03831	3.7
209.40099	0.7
289.07147	1.8
307.08087	13.1
308.08356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
64.63942	0.3
71.01229	0.5
89.17688	0.3
92.26994	0.3
92.56795	0.3
94.89108	0.3
136.27878	0.3
223.86388	0.4
230.71555	0.4
303.23169	0.9
305.24841	100.0
306.25183	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23338	1.7
58.02592	1.6
59.01251	31.4
69.49626	13.7
71.01257	9.9
72.99191	1.7
73.02813	3.4
79.92393	1.3
83.04916	3.6
85.02824	11.2
87.00735	2.8
89.02309	4.2
93.97836	1.4
98.19785	1.9
101.02314	8.6
109.02844	1.9
113.02325	3.9
127.03938	3.3
131.07002	2.1
133.02847	19.0
134.03590	3.2
135.04416	100.0
136.04724	2.7
150.03128	8.7
157.04935	1.9
161.02350	56.7
161.04507	4.5
162.02679	1.9
179.03416	86.5
180.03726	3.2
203.03426	2.2
218.35551	1.6
265.12912	4.8
289.07019	3.0
307.07983	20.4
307.13678	2.2
307.19183	1.6
308.08487	1.9
312.35388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.6
58.02849	1.5
59.01239	3.4
67.01762	0.6
69.03314	1.1
71.01229	1.7
71.04881	3.0
81.03336	5.2
83.04893	3.5
83.54690	0.7
92.28409	0.7
93.03338	4.5
93.06973	0.8
95.04884	2.5
97.06477	10.7
98.19729	1.6
99.08028	4.3
100.40242	0.8
106.04125	2.6
107.04900	2.2
107.08537	1.1
109.06485	2.1
111.08056	6.2
113.09613	0.9
119.04885	2.0
120.05718	0.9
121.06454	2.5
121.10086	1.0
123.08045	4.0
125.09611	5.2
127.07588	0.9
133.06465	2.9
135.08058	9.2
135.11674	1.6
137.09595	1.3
147.04466	0.7
147.08022	0.7
149.09587	1.3
149.32593	0.7
151.11186	1.5
161.06061	0.6
161.09601	1.6
163.11191	4.0
169.14232	1.1
171.10220	2.3
173.13228	3.2
175.11171	1.3
175.14828	1.3
181.12282	1.2
185.11772	1.5
189.12817	4.7
191.14346	40.6
192.14629	2.1
193.12321	1.4
194.95537	0.7
209.11732	2.4
211.13318	2.0
211.29166	0.6
217.12427	1.3
217.15932	14.6
217.17854	0.5
218.16318	1.0
223.16934	4.8
224.17238	0.6
229.19600	3.5
231.17462	2.1
243.17496	1.5
245.18930	1.2
249.14847	1.6
255.17485	1.0
261.14999	0.8
261.18668	0.9
261.22134	1.7
273.18610	33.0
274.18912	2.3
287.16486	2.9
287.20129	2.3
291.19577	2.7
305.17645	10.8
305.21188	100.0
306.18152	1.1
306.21542	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54594	2.0
53.01908	2.1
55.64311	2.6
57.03318	2.8
59.01246	13.2
60.92324	2.7
61.73497	2.2
64.91431	2.4
65.05716	2.2
71.01282	2.9
71.04871	2.7
71.57742	3.5
80.02564	4.5
81.03340	2.6
83.04895	3.6
93.03379	4.1
95.01255	3.7
95.04884	4.6
97.06462	12.2
106.04131	6.3
107.04937	4.0
109.02836	7.0
109.06480	3.3
111.08105	2.9
121.02847	3.7
121.06486	11.7
123.00813	3.4
123.04410	5.0
123.08065	5.9
125.05974	16.6
125.09620	9.9
127.07549	9.6
135.04483	4.4
135.05528	2.9
135.08051	20.1
138.06779	5.9
139.11163	2.9
149.09660	6.7
151.11201	5.4
153.09137	3.1
161.06032	2.8
162.06836	3.0
162.50070	2.4
164.08362	3.4
179.10735	3.1
189.12820	8.4
193.12294	2.8
195.13838	23.4
223.13524	2.8
225.16388	2.8
231.14020	3.6
243.17485	44.0
243.19724	3.4
250.12180	15.3
259.17072	7.9
261.18497	11.9
265.18085	2.6
269.15482	5.3
277.18207	3.1
287.16544	52.1
288.16861	4.6
305.17664	100.0
305.21201	12.4
306.17996	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40455	1.2
57.78948	1.3
59.01241	4.3
69.03298	2.1
69.85744	6.6
71.04891	37.4
80.77422	1.2
81.03317	3.1
83.04903	1.6
89.04274	1.3
92.49127	1.1
93.03328	1.3
93.06950	1.6
95.04912	15.9
97.06465	3.0
106.04111	3.7
107.04913	3.1
109.02833	2.5
109.06480	19.0
121.06480	5.0
122.03602	2.7
123.04405	1.3
123.08019	2.4
125.02377	2.7
125.05935	1.3
125.09610	5.8
133.06441	3.0
135.08047	19.1
139.35951	1.2
140.80850	1.4
147.04402	4.3
147.08038	1.9
149.05934	1.5
149.09610	2.6
153.09106	1.7
161.05989	5.1
165.09125	11.1
171.10225	1.7
189.12770	15.4
205.15936	6.7
209.11746	1.4
223.13396	1.5
231.13831	2.2
233.11761	7.5
243.17509	12.5
245.15535	1.6
247.13687	1.6
249.14923	17.9
261.18552	2.5
263.16559	2.6
269.15472	3.4
287.16516	81.7
288.16812	8.4
305.17569	100.0
306.17819	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.8
59.01244	4.4
59.01775	1.6
64.06534	1.3
69.34401	14.2
71.04889	40.1
81.03316	4.2
93.03310	3.3
95.04900	21.1
97.06440	1.8
106.04099	2.2
107.04932	2.3
107.27367	1.7
109.06474	19.3
110.00713	1.1
111.04384	1.7
115.00854	1.4
121.06510	6.6
122.03580	1.9
123.04378	2.0
123.08040	2.6
125.08778	1.6
125.09618	7.0
127.07529	2.3
135.08038	12.0
141.17732	1.5
147.04420	2.7
147.08020	2.1
149.09557	1.9
150.06737	1.7
158.77539	1.4
161.05978	2.3
162.06711	2.2
164.08333	1.6
165.09120	13.7
171.07980	1.8
179.14217	1.7
180.03311	1.4
185.11763	3.9
189.12770	15.4
190.13249	1.6
199.51782	1.9
205.15884	12.2
231.13861	2.3
233.11827	7.4
243.17505	10.1
249.14941	16.5
261.18567	3.5
263.16489	2.2
264.49136	1.3
269.15399	3.2
269.23972	1.5
287.16516	76.1
288.16931	5.6
305.17590	100.0
306.17877	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51600	0.5
56.28839	0.7
57.03318	1.4
59.01255	3.0
63.61261	0.6
67.92765	0.7
69.03304	0.8
70.13377	2.1
71.04893	35.5
74.19102	0.6
80.02541	1.6
81.03327	2.5
83.04887	1.4
91.05397	0.6
93.03332	2.5
93.06978	3.7
95.04898	18.5
97.06483	2.2
106.04119	3.8
107.04922	2.1
108.02084	0.7
109.02850	1.2
109.06479	14.9
110.03673	0.7
111.04391	1.8
111.08018	0.8
119.04903	0.8
121.06502	6.6
122.03609	2.5
123.04454	1.0
123.08025	2.1
125.02364	0.7
125.09613	5.8
127.07562	1.3
133.06500	1.8
135.08066	15.8
136.05173	1.3
139.07570	1.0
147.04402	2.6
147.08073	2.6
149.05995	1.7
149.09679	1.3
150.06754	1.0
151.07581	0.6
153.09146	0.9
161.06038	4.5
161.09631	1.0
162.06732	1.2
164.08392	0.6
165.09120	12.6
165.12761	1.3
171.10184	1.0
175.07486	0.7
179.14297	1.0
185.11758	1.3
187.11227	0.9
189.12788	13.8
190.13307	0.9
203.14253	0.8
205.15944	9.5
206.16165	0.7
209.11624	0.7
215.10640	0.8
225.16628	0.6
231.13876	2.4
233.11787	6.1
235.13188	0.7
243.17523	11.5
244.17880	1.2
245.15530	1.1
249.14934	10.6
250.15431	0.7
261.18591	2.5
263.16501	1.1
269.15363	2.3
287.16534	75.3
288.16794	6.4
288.19208	0.6
293.58804	0.6
305.17587	100.0
306.17889	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01747	1.6
57.03320	4.8
59.01240	7.4
69.03323	1.5
69.31889	11.7
69.32315	5.9
69.60452	1.8
71.01268	1.8
71.04893	3.2
74.46044	1.8
75.97495	1.6
79.05414	2.2
80.02563	1.9
83.04906	3.1
93.03371	2.3
93.06964	2.7
95.04916	5.8
97.06492	8.4
99.04368	8.5
100.67864	2.1
106.04138	4.7
107.04903	1.9
107.08571	2.9
109.06516	4.8
119.04913	5.0
120.05726	5.2
121.06517	2.1
123.04433	3.0
123.07285	1.7
123.08031	9.5
125.09626	26.0
133.06488	2.4
135.08063	79.5
136.08414	3.8
137.09602	2.1
147.04305	2.1
149.09599	2.3
151.11163	2.4
161.09663	2.7
175.07605	2.3
175.37935	2.0
185.11769	23.9
186.12061	1.8
189.12788	3.9
207.13867	3.2
209.11757	9.1
211.13379	2.9
223.13356	7.2
243.17522	27.4
245.15427	2.2
249.14960	7.9
261.18668	3.0
263.16589	4.0
269.15570	4.0
281.02615	1.7
287.16522	45.5
287.19708	3.1
288.16891	4.3
305.17624	100.0
305.21002	5.8
306.17828	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.50009	1.1
57.03314	2.6
59.01250	5.2
69.03360	1.3
70.12988	5.6
70.14847	1.2
71.04896	47.9
80.02522	1.4
81.03340	4.3
83.04890	2.7
93.03342	2.5
93.06979	1.2
95.04909	23.2
98.19836	1.7
106.04123	3.0
107.04935	4.8
109.06470	18.6
111.04411	1.5
111.08057	1.7
119.04949	2.4
121.06502	5.7
122.03664	1.5
123.08086	1.8
133.06430	1.7
135.08081	4.8
139.07538	1.8
147.04451	2.1
147.08069	1.8
149.06012	1.6
149.09709	1.6
150.06815	2.8
161.06006	2.3
163.11203	2.5
165.09117	12.2
175.07622	1.5
189.12794	18.7
191.14319	2.8
205.15939	12.7
206.16330	1.6
215.14505	1.3
217.15953	4.0
231.13980	2.8
233.11710	8.7
243.17476	9.2
249.14957	14.2
250.15364	1.6
261.18665	2.0
269.15512	2.8
273.18484	6.3
287.16537	81.6
288.16943	8.4
305.17667	100.0
305.21265	19.0
306.17972	10.4
306.21439	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03326	3.1
59.01236	1.4
60.08000	0.6
65.03838	3.1
69.44550	1.2
69.44961	4.5
71.04885	7.2
76.02898	0.6
79.05403	13.0
79.43363	0.6
80.02546	1.4
83.04890	1.4
93.03337	1.6
95.04911	1.7
97.06462	15.7
102.61079	0.6
106.04124	7.6
107.04906	2.5
109.06488	3.1
117.06937	1.3
119.04913	1.1
120.05686	5.8
121.06495	3.3
123.08034	5.3
125.09608	18.4
126.09999	0.7
133.06500	1.3
135.08049	100.0
136.08369	4.0
137.09607	1.9
151.11174	2.0
161.06033	1.0
162.06784	1.2
163.11186	1.6
176.08382	0.9
177.12764	1.5
183.10176	1.4
185.11772	2.3
189.12785	2.1
199.13350	0.9
205.15886	6.9
205.77193	0.7
207.10196	2.3
209.11818	2.1
211.01785	0.7
213.41238	0.7
216.28331	0.8
221.11807	1.5
231.13864	1.4
233.11739	1.3
235.13356	0.9
243.17513	1.0
249.14920	51.9
250.15234	2.9
263.16547	2.8
269.15378	2.0
287.16464	6.8
288.16833	0.8
305.17572	61.9
306.17935	6.2
315.12500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01256	8.8
69.03333	2.3
70.33887	3.9
70.34293	2.7
71.01259	1.7
81.03316	1.9
85.02831	2.1
91.73677	1.1
93.03336	1.2
95.01250	1.9
95.04895	2.7
97.06477	3.3
106.04124	1.6
107.08554	6.2
107.61665	1.2
115.50492	1.1
119.04911	1.9
119.08498	1.2
121.06505	2.2
123.04413	1.4
123.08077	7.4
125.09608	12.5
133.06464	2.3
135.08047	13.0
136.08424	1.6
137.09631	1.5
143.99541	1.4
145.06519	1.9
146.07251	1.4
149.06039	1.4
149.09616	2.6
151.07591	2.3
151.11166	1.8
153.09099	1.5
161.06009	2.2
161.09602	1.3
163.11169	1.6
164.08356	1.7
171.10175	2.4
171.69911	1.3
177.09177	1.9
179.10724	3.0
181.12285	3.7
189.12852	3.9
199.09685	3.1
207.13824	7.6
212.88803	1.2
213.11325	2.1
215.14371	1.6
225.16386	1.6
242.83559	1.2
243.17487	30.1
249.12033	1.3
250.12105	2.0
261.18652	10.0
269.15396	5.1
277.17987	1.5
282.38434	1.5
287.16534	35.7
288.16812	3.4
297.73380	1.5
305.17596	100.0
306.17957	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03312	2.2
59.01249	8.5
69.03324	2.0
69.28554	13.0
71.01253	2.0
85.02845	1.5
93.03323	2.3
95.01259	1.7
95.04894	3.0
97.06472	4.5
105.06981	2.0
106.04150	1.8
107.08553	8.3
111.04343	1.7
117.06997	1.8
121.06465	1.3
123.08028	6.1
125.09602	11.8
125.86411	1.3
133.06516	2.4
135.08049	17.6
137.09607	1.8
145.06450	1.3
146.07259	2.8
147.04462	1.7
147.08081	1.9
149.05995	1.8
149.09596	2.8
151.11162	2.4
153.09122	1.7
161.06030	2.0
167.10648	1.6
171.10202	2.2
175.54778	1.4
177.09145	2.0
179.10677	2.4
181.12263	3.8
187.09785	1.5
189.09073	1.5
189.12750	2.7
195.10249	1.7
198.08842	1.5
199.09715	1.7
207.13837	6.6
213.11256	2.1
213.83034	1.3
215.14369	1.4
233.18948	1.4
243.17503	33.3
244.17818	1.8
245.15540	1.3
261.18604	9.4
262.18918	1.5
269.15479	4.6
275.85828	1.3
287.16513	34.7
288.16989	3.1
305.17593	100.0
305.20938	4.6
306.17892	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	50.4
59.03172	0.4
66.05922	0.4
67.13576	0.4
68.54679	0.4
69.87912	0.7
69.88327	1.8
71.37968	0.4
81.79638	0.4
87.61020	0.4
125.09672	0.6
135.08049	0.7
168.13853	100.0
169.14180	4.0
212.12856	2.7
233.18991	0.6
304.19376	0.7
305.17560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03314	3.5
59.01240	2.0
65.03829	3.0
66.38828	1.6
71.34379	1.7
71.57528	3.3
77.17028	1.7
79.05424	2.3
80.02538	11.0
81.03328	5.3
93.03355	2.9
97.06470	6.6
106.04124	14.4
122.03656	2.7
123.08046	12.1
125.09615	82.3
125.10540	4.0
126.09954	2.9
135.04453	3.7
135.08058	93.5
136.08350	4.1
137.09639	3.1
147.04439	3.5
151.07599	2.0
154.60872	1.8
161.05974	6.9
162.06769	3.8
164.08286	3.5
165.42145	1.6
169.08586	3.4
187.09691	2.9
189.09088	2.5
206.10129	1.9
206.13057	3.4
250.12125	13.3
261.18628	2.8
265.50693	1.9
287.16528	10.2
287.79855	1.8
305.17581	100.0
306.17932	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75562	1.5
59.01254	100.0
59.61245	1.4
69.64913	8.8
71.01271	7.6
73.02821	4.0
75.58654	1.1
79.95620	3.0
85.02825	4.3
96.95909	4.0
99.00750	1.6
101.02338	5.3
108.02062	3.6
110.06049	2.7
113.02353	1.7
122.06010	6.8
134.18970	1.2
136.07651	2.2
152.01059	2.4
153.43022	1.3
161.04457	2.9
163.06291	1.8
231.11513	1.4
243.12396	1.5
259.14539	4.1
261.13412	6.8
273.12524	1.8
285.12433	3.8
291.55853	1.4
302.57535	3.0
303.08798	1.7
303.13553	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54420	1.5
53.74310	1.7
57.03325	15.7
57.34458	1.4
59.01238	3.1
60.57855	1.2
60.65677	1.4
62.65088	1.9
65.00188	2.7
69.40842	2.3
69.41203	15.3
71.01265	3.3
71.60442	1.6
74.84335	1.6
77.15594	1.5
83.01260	8.0
85.02838	2.1
107.01265	3.1
109.02820	2.6
121.02838	2.2
123.04392	6.0
124.01536	2.8
125.02338	100.0
126.02668	2.4
127.65842	1.8
139.03870	1.8
140.07074	3.5
141.01837	2.5
141.07449	2.3
142.20781	1.7
147.04468	2.0
147.33974	1.6
149.02379	3.7
150.03116	5.4
151.00240	7.1
151.03896	7.2
152.01047	3.0
153.01820	6.6
165.05420	1.7
175.03931	15.4
177.01834	14.3
178.99792	8.2
189.05473	5.5
193.04993	1.9
199.03960	7.2
199.31584	1.8
201.01817	2.6
211.52568	1.6
213.05507	2.1
216.04274	2.1
217.05019	7.5
241.04927	7.2
243.03001	1.6
259.06171	3.3
269.16168	1.4
275.05594	5.0
285.04037	47.5
285.12686	1.8
286.04398	2.1
303.05344	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.57017	0.2
60.97377	0.9
69.80450	1.5
74.98957	0.8
75.96095	0.3
93.00039	0.3
118.96104	0.3
131.84602	0.2
134.99289	7.0
136.97227	3.2
141.07318	0.5
146.12576	0.2
150.98726	0.7
152.96747	0.3
159.08386	1.9
161.06313	7.8
201.04031	0.8
203.05621	4.0
205.03537	1.2
215.05576	1.1
217.07161	94.3
218.07306	6.2
229.01370	0.4
235.08257	0.7
261.06094	0.9
283.11853	0.6
285.13477	38.7
286.13660	3.9
300.99863	2.7
301.16599	100.0
302.16791	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	2-hydroxyeriodictyol
Peak:m/z	Relative Intensity
57.03322	15.7
59.01249	0.8
63.02264	0.8
65.00175	1.8
69.44885	3.0
71.01255	0.6
81.03340	1.4
83.01257	3.7
93.03317	0.4
95.04940	0.5
96.95906	0.7
98.19832	0.7
101.21935	0.3
107.01265	1.6
109.02847	1.0
115.41301	0.3
118.48294	0.3
121.02847	1.8
123.04415	3.6
124.74178	0.4
125.02335	100.0
126.02680	3.0
129.58276	0.3
130.04143	0.5
131.04877	0.6
133.02823	1.0
145.06462	1.4
147.04445	1.6
148.01569	1.5
149.01225	0.7
149.02350	9.6
149.05965	0.4
151.00288	2.4
151.03958	2.3
152.01076	1.1
153.01826	0.8
161.02316	0.5
165.05461	3.1
173.06024	1.4
174.03105	0.8
175.03935	1.9
177.01846	13.0
178.02307	0.4
188.04654	0.4
189.05482	3.2
193.05009	2.3
199.03932	0.6
217.05005	7.1
241.05087	0.7
259.06174	1.8
275.05576	2.5
285.04083	3.4
285.66068	0.5
303.05099	7.3
303.08609	0.7
304.05475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.0
71.01247	0.2
89.02312	0.6
90.78836	0.2
91.03880	1.0
134.60904	0.2
165.11388	0.2
165.12767	3.8
183.13838	100.0
184.14186	4.7
209.11769	1.9
216.44064	0.2
227.12834	4.4
300.99939	0.7
301.16595	7.0
302.16870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28974	0.2
59.01248	0.5
63.47464	0.2
69.39989	1.9
70.66670	0.2
89.02325	0.5
91.03891	0.7
97.06446	0.2
113.59740	0.2
121.02942	0.2
121.24795	0.2
137.02412	0.2
154.15942	0.2
158.99498	0.2
165.12758	3.7
166.13075	0.3
178.00252	0.3
183.13829	100.0
184.14160	4.4
206.63448	0.2
209.11790	2.2
227.12822	5.0
228.13220	0.3
246.50079	0.2
257.08221	0.3
260.23157	0.2
283.09888	0.2
300.99826	0.2
301.10867	0.6
301.16574	7.3
302.16708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1081
Annotation	4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone
Peak:m/z	Relative Intensity
65.00185	0.6
65.03838	2.5
67.01738	0.6
70.91906	1.5
91.05414	14.1
93.03320	3.3
97.86698	0.6
108.02064	0.7
108.25442	0.4
109.02837	15.9
110.03220	0.7
121.02848	11.8
123.04369	0.6
133.02892	1.1
133.06470	0.5
134.03639	7.0
135.04417	100.0
136.04768	3.5
141.66377	0.5
147.04422	1.9
149.05984	9.8
151.00249	0.7
153.05487	1.7
161.05945	0.8
163.03911	1.0
164.04625	1.1
164.46274	0.5
177.05511	1.7
179.07062	24.0
180.07370	1.2
183.13802	3.3
183.43884	0.5
225.11186	0.6
229.08737	0.6
273.04095	0.7
283.09891	1.0
300.99939	3.2
301.03146	0.8
301.10956	5.8
301.14285	1.4
302.00244	0.7
302.11212	0.8
304.22165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77286	0.7
65.00198	1.2
65.03819	1.7
67.01756	4.8
69.44624	5.5
76.22344	0.7
83.01273	0.7
91.05412	13.5
93.03323	3.6
105.06982	2.0
107.01263	1.5
109.02841	9.3
117.06999	8.6
118.99453	0.6
119.04965	0.7
121.02853	24.4
123.04418	1.0
135.04422	100.0
136.04762	3.2
147.04427	20.2
148.04764	1.1
149.05975	3.4
151.00294	3.2
151.01402	0.7
152.36554	0.6
153.05489	7.3
161.05995	72.1
162.06364	3.4
163.07602	0.7
165.05482	32.6
166.05858	1.1
173.06004	1.7
178.99730	1.1
179.07069	32.6
180.07410	2.7
191.07076	8.5
300.99826	2.4
301.03580	3.7
301.10785	6.6
301.20325	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Bracteatin
Peak:m/z	Relative Intensity
57.03315	0.9
59.01255	4.0
63.02271	11.0
65.00196	20.9
65.03832	0.6
70.15427	2.5
73.02817	0.8
78.95786	0.7
83.00803	0.9
83.01258	11.4
93.03336	7.5
95.01254	0.9
107.01274	27.6
108.01543	0.7
108.99182	0.5
109.02842	3.9
111.00755	0.7
111.07951	0.5
115.07537	0.9
119.98044	0.6
121.02848	23.2
123.00732	0.8
124.01572	0.7
125.02353	1.6
128.04395	0.6
133.02867	0.9
135.00783	0.8
135.04414	3.0
136.07520	0.5
136.55479	0.6
137.02406	0.7
139.03928	3.2
139.11176	0.6
148.01640	0.5
149.02348	3.9
149.06027	0.5
151.00281	70.3
152.00638	2.4
159.04419	1.2
161.02371	2.5
161.05981	0.8
163.00246	1.7
163.03951	1.2
164.01016	1.6
165.05431	0.5
169.01349	9.0
171.10126	0.6
173.04459	1.3
173.05934	1.0
174.06596	0.6
175.03911	1.0
178.99785	25.2
180.00063	1.3
183.04379	0.9
183.13818	4.0
185.05978	0.9
187.03857	1.1
192.00534	0.6
193.01335	2.0
195.99863	0.6
201.05565	0.7
203.03450	1.1
205.04985	0.7
211.03889	1.5
215.46892	0.6
227.03456	1.8
227.12831	0.8
229.01337	1.1
229.05098	2.5
230.02148	0.7
230.05321	0.5
243.02823	0.6
245.04420	2.6
255.02872	1.5
256.27289	0.6
257.04520	2.0
257.12961	2.7
271.02545	0.7
273.04047	4.5
283.13196	0.8
283.99585	1.2
295.66397	0.7
299.01886	0.8
300.99893	15.1
301.03470	100.0
301.14383	1.7
301.20139	6.5
302.00510	1.2
302.03799	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
57.03308	1.2
59.01245	2.8
63.02273	6.4
63.94395	1.0
65.00198	19.9
65.93244	1.1
68.99714	1.3
83.01266	13.5
85.02852	1.2
93.03342	29.0
93.63616	1.2
95.01273	10.2
96.95918	1.8
107.01274	27.3
107.04976	1.3
108.02087	2.1
109.02864	4.7
111.00771	6.5
117.03392	6.0
119.04941	2.1
121.02833	8.1
123.00777	4.1
123.04440	1.7
124.01549	4.3
125.02338	11.8
131.04941	1.9
133.02826	4.1
135.00783	3.3
135.04387	5.5
137.02359	2.3
139.00307	6.0
143.04962	2.8
145.02859	5.1
148.01637	1.1
149.02394	2.8
151.00282	63.2
152.01082	11.3
153.01845	4.3
155.04976	1.6
156.05637	1.4
157.02913	2.0
157.06493	1.3
158.03714	1.3
159.04387	5.2
161.02396	3.6
161.06046	2.7
163.00273	12.3
163.03961	1.4
164.01172	2.5
169.01395	6.2
169.02675	1.3
171.04419	3.3
173.02237	1.4
173.05986	2.1
177.05544	1.3
178.99791	25.7
180.00140	1.6
183.04448	5.8
184.05115	1.7
185.02371	2.7
185.06000	3.4
187.03984	6.4
188.72606	1.2
189.05499	2.3
191.03433	2.8
194.27516	1.4
199.03946	2.3
200.04654	1.3
201.01875	1.7
201.05489	8.5
202.82857	1.2
206.99332	10.4
208.00075	7.4
211.03966	5.0
213.05458	2.1
215.03447	5.1
217.04710	1.3
227.03395	5.5
227.12782	1.8
228.04231	1.4
229.01488	2.6
229.05092	9.9
230.01941	1.3
230.20703	1.6
244.03580	1.4
245.04538	24.4
246.04712	2.0
255.02943	14.1
256.03363	2.3
257.04550	20.1
273.04044	44.1
274.04382	3.7
283.02451	6.4
283.99817	1.9
300.99890	31.9
301.03531	100.0
301.10681	2.4
302.00266	3.9
302.03845	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28214	1.2
51.98945	1.2
57.09242	1.1
59.01253	58.6
69.88883	3.3
69.89294	3.1
78.95800	2.0
83.56207	1.4
84.97264	1.2
85.90816	1.2
96.96825	1.2
115.02394	2.1
117.00338	9.7
146.07449	1.3
159.01402	100.0
160.01564	7.6
196.75584	1.1
197.92912	1.3
201.02496	24.2
202.02730	1.2
237.42236	1.1
241.01120	1.2
259.01559	3.9
277.54105	1.3
301.02667	38.9
302.02829	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89722	0.5
51.00667	0.5
58.04363	0.6
59.01251	2.4
65.95329	0.5
68.01279	2.7
69.79252	2.4
69.79659	1.2
71.01276	0.5
87.00759	0.6
87.95338	0.6
96.04471	0.5
98.20526	0.9
107.88694	0.4
122.02406	1.2
123.03162	5.9
124.07578	0.6
137.04744	1.0
138.05505	100.0
139.05853	3.0
152.07072	1.9
166.08749	0.9
167.05766	1.8
168.06586	0.9
180.06583	5.4
192.98944	0.5
210.07776	0.7
297.53906	0.5
300.10898	11.8
301.11224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89331	0.8
53.00171	1.0
69.43707	0.9
70.86703	1.9
70.87048	1.2
79.95606	43.6
80.96388	24.9
93.03290	1.4
93.97191	1.1
106.97946	5.4
124.00635	92.1
138.05502	5.9
139.03844	1.8
149.98552	1.4
160.01517	1.5
160.05188	1.3
203.05725	3.2
204.06566	1.7
235.53865	0.9
276.65982	0.8
283.69785	1.0
285.03131	24.3
286.03455	1.9
300.05463	100.0
301.00168	1.2
301.05954	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01242	1.4
71.07471	1.1
74.42490	0.4
83.51448	0.4
110.40167	0.5
119.04974	0.5
137.02345	0.5
138.05472	1.4
141.12711	2.4
174.99149	0.4
217.00227	1.3
253.25311	2.2
271.02567	0.5
271.22916	1.0
281.24863	2.7
297.24417	1.6
299.01941	0.8
299.20520	20.1
299.25894	100.0
300.20566	1.8
300.26257	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71508	0.5
58.83647	0.5
69.57419	1.1
69.57826	3.0
71.37466	0.5
77.85849	0.5
79.95603	11.7
80.96383	2.6
106.98000	0.8
124.00637	100.0
138.05501	3.5
182.07732	0.5
197.11971	0.5
260.84186	0.5
266.16907	0.6
274.53952	0.5
300.05478	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1288
Annotation	4'-Hydroxy-5,7-dimethoxy-8-methylflavan
Peak:m/z	Relative Intensity
59.01252	0.2
63.39508	0.2
71.58533	0.3
73.78482	0.2
81.43410	0.2
83.04889	0.3
91.05414	0.2
92.61208	0.2
93.03336	9.5
94.03679	0.3
97.06464	0.2
99.04446	0.2
119.04918	100.0
120.05247	3.6
121.02808	0.2
122.03590	0.2
135.04407	0.6
137.02315	0.3
137.05966	0.5
138.05444	0.3
142.16371	0.2
147.04436	3.0
149.05962	0.4
159.04431	1.3
167.07079	0.5
171.10210	0.3
227.10675	0.2
251.07135	0.3
271.02383	0.2
284.03348	0.2
284.06653	0.2
299.02170	0.3
299.09302	0.6
299.12762	3.0
299.18658	0.5
300.13284	0.2
308.90823	0.2
315.67188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	2,5-Dihydroxy-7-methoxy-8-methylflavanone
Peak:m/z	Relative Intensity
52.78367	0.3
54.88075	0.3
56.29625	0.3
59.01251	3.1
63.24267	0.3
65.00177	0.5
65.03844	2.6
67.01765	0.5
69.59708	0.4
71.58469	0.4
73.94101	0.4
74.55191	0.4
79.35490	0.3
83.14602	0.3
91.05406	14.2
93.03347	3.4
103.61754	0.3
103.62440	0.4
107.04868	0.4
108.02056	1.3
109.02833	14.3
109.99976	0.5
110.03190	0.8
119.04909	6.3
121.02845	9.4
123.04395	1.3
133.02908	0.9
134.03638	15.7
134.48103	0.4
135.04414	100.0
136.04744	3.0
136.98750	0.5
137.02332	0.5
138.05510	1.4
141.03288	0.4
147.04416	2.0
149.05981	15.0
150.06349	0.5
151.03897	2.1
162.03105	2.1
174.99173	1.1
177.05489	27.0
178.05861	1.4
200.04721	0.7
207.10104	0.4
211.03998	0.7
217.00201	3.1
239.03493	0.8
241.05060	0.4
263.16428	0.9
267.05972	0.4
271.02902	0.5
281.17581	1.2
284.03259	9.0
285.03705	0.7
299.02155	0.9
299.05618	2.8
299.09283	10.9
299.12717	0.7
299.18600	2.2
299.22369	0.4
299.25836	0.6
300.05939	0.4
300.09644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	(-)-Farrerol
Peak:m/z	Relative Intensity
59.01238	2.7
65.03841	5.6
67.01763	11.1
69.64854	7.6
83.04876	1.0
85.02817	2.2
89.03828	1.7
91.05410	6.4
93.03339	4.1
95.04881	3.1
97.02794	1.6
98.20525	2.0
103.05412	1.9
108.02057	1.5
109.02835	46.5
117.03291	1.4
119.04890	2.8
121.02847	100.0
122.03177	2.2
123.04423	8.9
130.04120	6.1
133.02852	64.7
134.03189	1.7
135.04411	33.9
137.02361	4.0
137.06033	5.7
138.05502	2.8
143.04814	1.2
143.07062	1.3
145.02858	1.3
147.04419	56.0
148.04721	1.6
149.05995	5.5
151.00333	1.2
153.05479	2.3
159.04433	84.2
160.04733	4.3
160.06897	1.1
161.02304	1.4
165.05493	21.0
166.05876	1.1
175.03897	1.8
177.05489	29.3
181.41795	1.2
185.05998	1.6
187.07570	2.2
200.64629	1.1
207.10201	4.5
209.05972	1.7
211.07611	1.5
225.05328	1.5
225.11255	3.1
225.24519	1.1
226.06354	1.1
235.07523	1.2
237.09137	4.0
253.05081	2.3
255.06512	1.5
256.03476	1.9
263.07028	1.8
265.04984	1.8
269.08252	6.7
271.02493	5.5
281.04898	4.0
281.08179	78.4
282.08508	6.2
299.02319	6.5
299.05682	3.6
299.09229	51.6
299.14963	4.3
299.18677	3.5
299.25604	1.4
300.09589	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
55.34782	0.4
56.34598	0.4
59.01252	0.9
71.01253	2.5
71.34682	0.6
71.35025	0.7
73.02808	0.8
85.02827	1.2
90.37968	0.4
93.03339	59.0
94.03669	2.1
101.02316	0.7
110.00802	0.4
110.31814	0.4
113.02285	0.8
120.84426	0.5
124.00639	1.2
137.02347	100.0
138.02676	3.8
138.05450	0.7
161.04565	0.5
219.63753	0.4
223.80704	0.3
224.16287	0.4
299.07797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34011	0.4
53.86592	0.4
57.78256	0.4
59.01243	1.4
71.01245	3.0
71.27656	0.9
71.38092	0.4
73.02810	0.7
79.95580	0.4
85.02808	1.2
89.02307	0.5
93.03333	83.3
93.12859	0.5
94.03646	2.6
95.01322	0.5
101.02331	1.3
108.02020	0.6
113.02329	1.0
124.00639	2.1
137.02342	100.0
138.02681	3.9
138.05507	1.8
152.00972	0.6
157.54431	0.4
222.63943	0.4
299.07739	0.8
300.26096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	(+)-Kalafungin
Peak:m/z	Relative Intensity
57.92716	0.3
59.01257	1.6
61.85825	0.3
70.24175	0.3
70.87019	0.5
70.87363	0.7
85.52003	0.4
122.74427	0.3
131.10374	0.3
137.02312	0.5
138.05489	0.9
144.05771	0.3
147.00714	0.5
147.04443	0.5
157.06491	0.6
167.04919	0.4
169.06564	0.5
171.04433	13.4
171.05919	0.7
172.05156	2.2
174.99222	0.6
181.06480	0.5
183.08075	0.7
185.06030	2.0
186.06740	0.5
187.07613	5.0
196.05235	1.2
198.03099	0.5
199.03922	0.3
199.07545	0.4
209.05965	1.1
210.06830	1.6
211.03967	0.8
211.07607	4.5
212.04704	1.6
213.05508	8.4
214.06006	0.4
217.00337	1.5
225.05519	0.9
227.07101	0.4
239.03482	1.2
240.04269	1.9
253.05072	1.2
254.05902	1.5
255.06610	100.0
256.06964	6.4
267.03067	1.1
271.02460	1.1
298.21121	1.2
299.02026	1.4
299.05606	5.7
299.08759	0.7
299.21725	0.7
299.25821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0195
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.32707	0.5
63.02255	3.1
65.00195	1.8
69.50437	5.4
87.64204	0.6
98.19844	1.6
107.01273	2.2
109.02826	4.4
119.01259	0.9
133.02847	4.9
143.04906	1.6
145.02834	0.7
147.04410	1.0
151.00241	1.9
157.02866	1.7
171.04424	4.8
173.02376	0.9
175.03929	2.1
182.03784	0.6
183.04414	1.2
187.03885	1.9
197.02353	1.5
198.03194	1.1
199.03951	9.3
201.01877	2.8
214.77638	0.6
215.03413	3.7
226.02635	2.6
227.03427	6.6
242.02092	1.5
243.02971	5.6
255.02960	7.5
271.02466	61.6
272.02863	4.5
299.01950	100.0
300.02600	19.7
304.08014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2072
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
57.03327	4.1
59.01253	26.4
70.64053	5.0
70.64399	3.1
71.01253	13.2
73.02816	3.4
79.48059	2.1
85.02818	3.1
89.02321	9.4
101.02331	7.8
113.02334	4.7
113.09599	6.3
119.03373	4.3
119.04914	10.8
125.09595	21.5
125.10259	2.0
135.04395	3.0
135.06508	4.2
153.37984	2.0
155.10620	3.5
161.04520	2.7
171.10185	100.0
172.10548	4.2
183.10188	6.2
185.11737	16.8
189.54539	1.9
195.13802	4.1
197.11780	2.1
201.11279	19.0
242.20912	2.0
261.18573	8.6
279.19641	24.9
280.20230	2.1
297.08121	3.8
297.11707	19.6
297.15244	5.9
297.20709	92.2
297.24307	27.0
297.60263	2.2
298.12192	3.2
298.21109	9.7
298.24429	3.5
298.57446	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
51.10161	1.2
55.01754	3.4
57.03327	1.8
58.00467	3.1
58.95305	1.4
59.01252	100.0
60.01568	1.5
69.37251	13.8
69.48232	1.6
71.01253	72.5
72.01575	1.4
72.99190	7.6
73.02820	12.5
75.00758	4.7
83.01273	4.6
84.79025	1.5
85.02820	23.1
87.00753	3.4
87.04383	1.5
87.24426	1.4
87.41991	1.3
89.02317	74.8
95.01273	3.3
98.19861	3.6
99.00770	3.0
101.02325	47.6
103.03934	1.8
113.02328	24.4
117.05473	1.6
119.03389	27.9
131.03340	2.5
135.04410	13.6
135.06532	31.5
143.03429	4.6
145.13268	1.4
146.04166	1.5
159.02859	1.5
161.04462	11.6
179.05539	10.9
221.86716	1.6
248.47180	1.4
277.43826	1.5
297.08282	4.3
297.11823	32.2
297.24301	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03298	3.4
59.01247	5.7
64.04311	1.0
66.92815	0.9
67.38022	1.1
69.23991	8.9
69.24411	3.4
71.01234	1.5
98.19772	2.7
98.95464	5.8
98.96276	1.2
101.02275	1.4
106.91066	1.0
111.72605	1.0
125.09556	1.3
153.14461	1.1
155.14265	3.6
171.10172	43.0
172.10516	1.9
183.10104	3.0
183.11638	1.3
213.18616	1.1
219.71509	1.3
243.29961	1.4
251.23720	2.1
277.21722	47.2
278.22058	3.1
295.17529	3.7
295.22769	100.0
296.23090	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01240	4.5
65.88738	1.0
70.62573	1.0
71.05324	1.1
71.57935	1.3
98.95484	3.1
101.02338	1.7
108.93684	1.0
126.42709	1.0
141.12759	8.6
155.14316	2.9
155.78197	1.0
171.10136	2.1
239.42291	1.1
249.22221	10.7
277.21606	2.6
295.22784	100.0
296.23193	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03328	0.6
59.01250	1.4
69.45769	0.7
69.46003	1.4
69.46399	3.2
98.20552	1.0
99.08027	0.7
121.07973	0.5
125.09616	1.2
141.12720	1.3
162.32422	0.6
171.10182	39.6
172.10545	1.7
174.01476	0.5
183.10201	4.0
202.11032	0.5
214.78030	0.5
262.10101	0.5
277.18585	1.3
277.21722	53.3
278.22073	5.3
295.22778	100.0
296.23108	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.39330	0.4
51.14841	0.4
57.03313	0.8
59.01244	1.6
62.95143	0.4
63.44654	0.4
77.72728	0.5
88.34015	0.5
98.19765	1.1
105.48675	0.5
110.51653	0.6
113.09615	3.1
159.44116	0.5
169.12199	0.6
171.10197	1.2
179.14389	1.3
181.12189	0.5
195.13844	21.6
196.14218	1.2
202.81343	0.6
259.20520	0.6
277.21722	22.7
278.22034	1.5
295.22781	100.0
296.23108	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1913
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
52.66906	1.2
57.03079	1.7
57.03325	17.9
57.35888	1.1
59.01259	5.9
65.22867	1.3
69.51180	1.1
70.33404	1.4
71.01255	2.9
75.34827	1.3
83.04882	5.3
85.40252	1.1
90.53629	1.1
96.95903	2.3
97.06455	3.1
101.02242	1.6
105.07008	2.8
107.04907	2.8
107.08546	9.8
121.06509	2.5
123.04388	1.5
123.08048	26.8
125.05938	1.3
125.09607	13.4
141.12752	2.1
154.77234	1.4
171.10188	50.2
172.10547	1.6
185.11749	13.2
197.11714	1.5
207.13844	2.6
209.11671	1.7
219.13803	2.6
221.13884	1.3
233.19032	1.8
235.16978	5.5
237.14870	3.6
251.16505	53.7
252.16919	3.5
259.16962	2.2
277.18082	100.0
278.18375	9.8
295.12473	2.1
295.15894	3.5
295.19119	64.1
296.19431	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
57.03324	19.1
59.01253	10.5
69.03336	2.0
70.13071	1.1
70.45613	2.2
70.46009	2.3
71.01257	2.7
79.95596	2.5
83.04890	5.4
83.27261	1.2
90.27600	1.2
93.03326	2.0
95.04891	2.3
96.95882	2.9
97.06444	4.1
105.06969	2.1
107.04917	3.2
107.08549	11.8
109.06461	1.5
119.19835	1.1
121.06490	2.5
123.04394	1.3
123.08044	24.6
125.05946	1.3
125.09598	15.0
126.09898	1.2
141.12740	1.8
171.10187	46.1
172.10519	1.7
173.04561	2.5
181.12248	1.6
185.11778	13.0
207.13867	2.4
219.13809	2.4
233.19038	2.9
235.17091	3.4
237.14948	3.9
237.94052	1.3
251.16499	48.9
252.16814	4.0
259.17007	2.0
277.18082	100.0
278.18390	7.7
295.05927	1.6
295.09711	1.3
295.15707	4.1
295.19119	60.4
295.22488	3.0
296.19458	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
57.03328	2.0
58.00480	0.4
59.01242	2.8
71.01262	1.0
73.02803	0.9
75.08944	0.4
83.04894	0.6
85.02825	0.5
91.59598	0.4
95.04894	0.7
97.02832	0.5
97.06454	2.2
98.19794	1.4
98.88078	0.4
101.02271	0.4
107.08506	0.7
111.04409	0.4
123.08054	3.8
125.05984	1.2
125.08732	0.6
125.09614	8.7
127.11190	1.9
135.08031	0.9
137.09657	0.9
139.11189	1.4
141.09105	3.1
141.12733	1.1
143.10652	0.9
151.07533	0.8
153.09109	3.0
153.12865	0.4
154.09903	0.8
155.10706	1.2
165.09268	0.4
165.12778	0.7
167.10701	0.4
169.08566	0.9
169.12244	1.4
171.10191	4.5
179.14314	0.4
185.11783	0.6
195.10136	0.5
197.15459	0.6
199.09683	5.8
200.10458	7.3
201.11238	5.6
213.11240	1.2
215.12874	0.7
229.74673	0.5
231.17448	0.5
233.19070	8.2
249.18579	1.3
251.20116	3.1
259.17020	1.8
267.19550	1.2
277.18088	18.3
277.20792	1.2
278.18405	1.4
295.19128	100.0
296.19507	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
50.26828	0.6
57.70313	0.6
59.01268	3.0
59.46025	0.7
69.03337	1.2
71.01263	1.2
71.06296	1.4
81.03352	2.0
85.02851	0.9
96.95911	1.1
97.02826	9.7
97.54068	0.6
101.02384	0.7
109.06505	2.3
112.76232	0.7
123.04438	1.8
123.08071	5.4
125.09611	0.8
137.05986	0.7
137.09601	4.5
138.06822	1.0
139.07489	1.3
139.11156	1.5
142.02646	1.0
156.23950	0.8
171.10185	8.9
177.12816	1.2
185.11789	2.9
195.13863	3.2
203.14355	1.6
221.11794	3.7
233.19061	5.8
239.12900	2.6
259.17065	1.6
277.18091	100.0
278.18414	9.7
295.19147	48.1
296.19400	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1916
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
50.29714	1.2
57.03306	3.0
59.01251	10.6
66.76389	1.4
69.03312	7.1
69.27453	15.4
71.01259	1.8
73.02786	1.5
75.43851	1.2
80.02535	1.8
81.03371	1.3
83.04906	1.4
85.02809	1.5
89.02318	2.2
93.03310	2.1
97.06483	3.1
101.02320	1.8
105.06974	12.5
106.68422	1.6
107.08552	4.1
109.06457	1.8
111.08039	4.6
121.06503	2.7
123.08043	31.3
125.09598	6.2
127.11195	5.4
134.07253	1.6
139.11107	1.9
149.09625	1.7
153.09059	2.5
155.10663	3.7
157.12352	1.4
167.10675	3.9
167.26697	1.3
169.65274	1.4
171.10184	100.0
172.10507	6.2
183.10185	5.8
185.11763	24.9
195.10127	1.9
197.11711	1.9
201.11255	7.3
209.15367	3.1
213.11276	9.6
223.16924	2.1
233.19064	3.7
239.07076	9.2
249.18582	1.6
251.16556	3.6
259.16931	4.8
277.18073	35.2
278.18338	3.7
295.10312	2.3
295.13489	11.6
295.19061	43.2
295.22278	4.5
296.19479	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1916
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
53.21394	0.5
56.36008	0.6
57.03333	0.7
59.01234	2.3
63.89402	0.5
67.05388	2.7
69.03326	13.9
71.01292	0.7
71.04919	0.8
87.76204	0.6
93.06976	1.6
101.02338	0.6
104.37069	0.7
105.06988	11.5
107.08530	1.0
108.05679	1.2
121.06494	5.7
123.08053	50.3
124.08366	2.1
125.09608	2.3
127.11199	2.3
165.14661	0.6
171.10185	100.0
172.10574	3.7
180.16391	0.6
185.11687	1.1
191.12668	1.1
201.11234	7.3
209.13725	1.2
229.34587	0.7
233.17317	1.6
277.18201	11.7
278.18384	1.1
295.19415	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1914
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
57.03333	2.9
59.01250	9.9
66.12460	1.4
67.05392	1.3
69.03337	8.0
70.63770	3.6
70.64130	1.6
71.01261	2.9
75.61752	1.4
76.33614	1.3
83.04903	1.9
89.02357	1.6
96.95971	1.6
97.02853	6.9
97.06466	3.8
101.39246	1.3
105.06984	10.3
107.04896	1.9
107.08548	2.6
109.06475	3.0
111.08059	5.9
121.06500	3.4
123.08058	30.4
125.09625	6.2
127.11187	3.2
137.09650	3.4
151.11192	2.7
153.09224	1.6
155.10713	4.0
157.08588	3.2
167.10756	2.1
171.10194	100.0
172.10570	3.3
176.00552	1.3
183.10191	4.4
185.11786	25.3
186.12219	1.6
195.10149	2.2
197.11775	3.0
201.11311	6.0
213.11295	8.0
225.11322	1.8
233.19112	2.3
239.07039	1.9
259.17062	4.7
277.14993	2.7
277.18118	47.9
278.18500	3.4
295.10394	1.8
295.13446	7.2
295.16058	2.6
295.19144	36.3
295.22412	1.7
296.19467	3.5
310.82343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64791	1.1
57.03319	2.3
57.94546	1.1
58.00466	4.0
59.01253	100.0
71.01256	49.9
71.01660	2.0
71.04889	2.0
71.56232	2.5
71.56609	1.9
72.99171	4.6
73.02823	3.6
75.00760	1.7
80.89134	1.2
83.01254	3.7
85.02830	13.9
87.00771	2.2
89.02321	58.1
95.01251	3.1
99.00737	1.8
101.02325	36.6
111.44964	1.4
113.02330	21.8
115.00284	2.0
115.03894	5.4
119.03400	26.7
133.04974	7.3
143.03378	2.0
161.04437	2.6
163.03802	1.7
164.87355	1.3
179.05531	2.6
208.93762	1.2
264.44543	1.4
295.10345	78.0
296.10718	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
69.87305	4.4
69.87719	9.9
87.36533	2.5
96.95881	25.5
116.64859	2.8
190.56166	2.3
211.43721	2.3
220.14543	4.5
221.15361	6.0
261.48328	2.8
293.18076	13.4
293.21426	5.0
293.24860	100.0
294.25192	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61633	1.7
55.01751	2.8
57.03317	2.7
58.00460	3.2
59.01253	100.0
71.01255	69.4
71.04871	1.7
71.13850	3.3
71.14189	2.9
72.99190	5.1
73.02825	3.7
76.02735	1.8
83.01260	3.5
85.02827	15.6
85.24672	1.6
87.00762	2.9
89.02320	67.1
90.74493	1.9
95.01271	4.1
99.00770	2.5
101.02322	45.9
103.27052	1.9
113.02344	27.3
118.61143	1.7
119.03392	26.0
133.05014	3.1
143.03397	3.5
159.59395	1.7
161.04448	9.9
179.05482	3.1
295.10358	75.8
295.13831	6.0
296.10980	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03321	2.8
59.01245	1.4
69.03329	0.7
69.29639	4.5
71.01255	0.9
78.95800	0.5
96.95894	0.4
97.06422	0.9
113.09596	4.6
121.10121	0.7
123.08059	1.2
125.09605	3.8
137.97237	0.4
139.11249	0.6
141.12749	0.8
149.09651	1.7
156.13824	1.2
157.14197	1.4
167.10648	0.5
171.10161	1.5
175.03902	0.5
177.09230	0.5
179.10674	0.7
185.11751	8.1
186.12164	0.5
191.07048	1.2
192.24922	0.4
195.13792	0.9
197.11797	2.0
220.14645	2.2
221.15428	4.6
236.10526	3.4
237.10786	0.5
249.22183	1.1
258.97549	0.4
275.20135	2.3
283.34665	0.4
293.21213	100.0
294.21570	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86630	0.5
57.03311	2.2
59.01253	4.4
69.03320	0.6
69.91291	3.6
71.01244	2.5
83.04875	0.6
84.49002	0.6
96.95872	1.1
100.75813	0.6
101.02327	0.7
109.06448	0.7
111.08040	0.9
113.09609	4.6
121.10132	1.2
136.08838	4.0
167.10652	0.9
171.10207	1.8
177.09077	1.3
177.12706	0.8
179.10596	0.7
179.14308	1.3
182.30882	0.6
192.11536	3.5
193.15904	8.9
195.13860	13.0
196.14259	0.7
205.12212	2.1
205.15938	0.9
211.13280	0.8
220.14636	4.9
221.15442	9.4
223.13374	6.2
224.13788	1.0
228.13696	1.2
235.16998	1.3
236.10486	6.1
242.50436	0.6
249.18579	3.2
249.22293	1.2
256.13150	2.7
265.21707	0.7
275.20148	11.6
276.20486	0.8
293.17642	4.2
293.21210	100.0
294.21567	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.20964	0.5
57.00162	0.6
69.03319	1.1
69.60172	3.5
71.30363	0.5
72.99166	1.1
77.73363	0.6
81.00468	0.6
83.04881	1.0
85.06483	0.6
96.95879	3.7
98.20550	0.8
113.09688	0.6
121.10065	0.8
125.09628	0.8
139.11177	3.8
153.12738	2.2
168.23480	0.6
171.10132	1.1
175.18324	0.6
182.02229	0.7
191.17949	4.2
199.13051	0.6
243.07603	0.7
245.19112	0.6
247.20512	2.8
251.25879	0.6
275.20239	1.6
293.21204	100.0
294.21472	7.2
301.35812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
60.31024	0.5
69.40102	5.3
73.79604	0.7
74.16734	0.5
97.06468	1.3
99.25516	0.6
121.10133	0.8
123.08022	0.6
125.09612	4.6
141.12781	1.0
149.09581	1.4
165.12669	0.6
169.60498	0.5
171.10144	1.1
185.11754	9.7
185.13287	0.4
197.11772	3.1
225.47432	0.6
275.20245	1.9
293.21231	100.0
294.21539	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
57.03312	0.5
59.01258	2.5
70.09889	1.9
71.01253	0.5
83.04841	0.4
95.04848	0.3
97.06461	0.5
119.08559	0.5
121.10119	49.6
122.10461	1.6
125.09615	1.4
127.11195	1.1
141.12749	0.5
155.50226	0.3
171.10179	83.5
172.10532	3.2
175.97385	0.4
177.16418	1.3
185.11772	3.7
197.11749	0.8
224.60658	0.4
231.21146	5.5
257.19113	0.9
275.20145	100.0
276.20477	6.8
293.21216	55.2
294.21591	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.2
59.01234	6.1
62.85595	1.7
71.01240	2.2
88.71069	1.8
97.06481	1.8
109.41170	1.8
113.09602	4.0
121.10123	38.2
122.10471	1.9
125.09572	3.2
126.20883	1.9
138.90837	1.6
171.10184	73.3
172.10527	3.2
177.16467	2.1
183.10220	3.2
185.11748	7.5
231.20998	6.6
275.20166	86.8
276.20401	4.7
288.16913	1.9
293.21216	100.0
294.21503	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01245	2.7
69.03320	0.9
70.46427	1.0
71.01269	0.7
71.04924	0.6
81.83226	0.6
96.95883	1.5
111.08047	1.5
113.09605	0.6
119.03372	0.6
122.40430	0.6
139.11217	1.0
158.28873	0.6
171.10173	0.7
179.14386	1.3
185.70432	0.6
195.13860	14.2
196.14365	1.3
199.13342	1.2
211.13390	0.7
223.13362	9.9
224.13838	1.0
228.13626	1.8
235.17075	0.7
256.13217	3.0
265.21622	0.7
275.20157	8.8
276.20465	1.3
293.21219	100.0
294.21524	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
58.39477	0.8
59.01240	1.6
64.48770	1.1
69.03318	1.2
69.72812	0.8
81.55038	1.1
123.08060	1.2
139.11148	1.5
151.11183	3.2
169.12219	2.8
197.11768	41.4
198.12086	2.1
249.22371	1.5
272.59500	1.0
275.20129	18.5
276.20370	1.8
293.21222	100.0
294.21503	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
71.21440	0.6
73.17962	0.3
74.54440	0.3
79.95592	2.2
95.95097	0.5
96.95885	100.0
97.83781	0.3
97.95817	0.4
98.27022	0.3
121.10004	0.4
124.44619	0.3
132.93971	0.3
139.85219	0.3
171.10193	0.9
220.14441	0.4
221.15372	0.9
236.10570	0.7
259.90982	0.3
263.41504	0.3
272.72171	0.3
275.20132	1.4
293.17920	75.1
293.20688	2.7
294.18237	6.4
294.21384	0.6
294.30536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2117
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03330	1.2
59.01243	3.3
61.80507	0.8
71.01257	1.7
71.04885	1.3
82.90611	0.8
96.95885	2.5
101.02368	1.3
111.08034	1.2
121.02794	1.2
121.10104	2.1
125.09586	1.5
126.26931	0.8
171.10172	3.6
177.98923	0.8
185.11691	1.2
195.13867	9.5
196.14465	1.1
199.13249	2.9
205.15916	1.2
211.13307	1.3
211.45255	0.8
221.15459	1.7
223.13371	6.6
228.13614	1.0
231.20874	0.9
235.16948	3.2
246.15085	1.0
249.18518	2.7
249.22272	1.1
256.13223	1.5
275.16602	2.7
275.20117	12.8
276.20416	1.1
293.17630	9.8
293.21179	100.0
294.21472	8.7
306.27405	0.8
314.33014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19342	0.5
53.92933	0.4
54.42997	0.5
70.00622	1.6
71.01259	7.8
71.01595	0.6
86.46653	0.5
98.20401	0.5
103.72747	0.4
109.47271	0.5
109.48013	0.5
127.07579	1.0
148.05252	2.0
151.04018	0.4
157.47380	0.4
159.78929	0.5
164.08357	2.1
177.09125	6.1
192.11485	5.9
193.12013	0.7
205.12259	7.2
205.14049	0.6
207.13858	1.1
217.08856	1.0
218.09447	2.1
220.14639	46.7
221.15417	100.0
222.15799	6.0
224.10326	0.5
235.13338	1.0
236.10503	64.9
237.10828	4.2
293.17554	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61755	0.5
55.01757	0.7
57.03292	1.3
58.00462	1.6
58.68786	0.5
59.01250	45.5
69.03309	0.6
69.38616	5.7
71.01254	21.3
72.99173	2.4
73.02809	1.4
80.13020	0.5
83.01264	2.3
84.26340	0.6
85.02827	4.5
85.06463	17.0
87.00745	1.4
89.02316	23.4
95.01244	1.2
98.19850	1.2
101.01691	1.1
101.02322	14.9
113.02338	8.3
113.05983	3.0
115.07529	2.1
119.03387	10.2
127.07526	1.7
129.97554	0.5
131.07034	70.9
132.07362	1.6
143.03386	1.3
149.04457	0.7
149.15929	0.6
161.04477	1.0
173.08101	1.9
179.05544	1.3
180.29639	0.6
252.16753	0.5
293.12421	100.0
294.12656	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.22648	2.0
53.45702	2.0
55.01759	5.3
57.03316	3.1
57.10848	1.9
59.01251	100.0
64.23421	2.5
67.63192	2.0
69.03356	2.6
70.40271	8.9
71.01254	93.5
71.44313	2.0
72.99177	9.8
73.02821	31.0
78.47490	2.2
83.01260	9.4
85.02827	34.6
87.00768	9.7
89.02322	51.4
89.02835	3.9
95.01283	4.8
98.58711	2.5
99.00750	9.3
101.02320	68.8
103.03901	7.8
107.16490	2.1
113.02332	38.1
113.03080	3.8
119.03377	24.2
127.00232	4.5
131.03395	30.5
131.07031	6.8
143.03445	4.4
159.02913	7.1
161.04463	26.9
168.64806	2.2
173.04462	6.5
191.05542	11.1
195.22050	2.1
215.45949	2.4
285.41754	2.6
293.08795	79.9
293.12390	18.3
293.21124	4.4
294.09219	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
58.00458	1.9
58.30527	0.6
59.01251	50.6
59.77784	0.6
69.64993	2.0
69.65421	2.9
71.01254	25.8
72.99180	3.1
73.02818	1.9
78.81554	0.8
83.01252	3.0
85.02818	5.8
85.06465	20.8
86.06823	0.7
87.00773	2.0
89.02321	28.6
90.02660	0.7
95.01241	2.1
100.00283	0.7
101.01700	1.2
101.02328	16.6
113.02325	10.7
113.05981	4.4
115.07540	2.8
119.03393	10.9
127.07549	1.2
131.07037	81.1
132.07365	2.1
143.03349	0.7
146.68483	0.7
148.06297	0.8
161.04407	0.9
164.06996	0.9
173.08101	1.9
179.05527	1.4
195.22334	0.6
252.97903	0.6
293.12424	100.0
294.12738	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.92566	0.5
57.03317	1.5
70.19457	2.3
107.08553	14.4
111.08026	0.7
139.11168	7.7
183.10204	1.7
185.11794	1.3
194.39272	0.6
199.13326	11.0
201.11215	0.6
213.14928	0.6
223.13286	1.3
247.20782	1.0
261.14941	0.8
261.23447	0.5
273.18631	2.4
289.18228	1.2
291.19659	100.0
292.20001	8.6
300.20966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.1
69.69189	3.0
69.69613	6.6
77.76801	1.3
86.35243	1.1
96.98704	1.1
103.82057	1.1
106.04095	1.3
107.08556	12.2
111.08006	1.6
121.10117	2.1
137.45477	1.3
139.11203	6.5
167.47803	1.3
178.63506	1.3
185.11742	4.1
199.13376	9.8
201.11197	1.4
216.44051	1.1
223.13391	2.1
247.02370	1.5
247.20609	2.3
262.92786	1.2
273.18582	3.0
291.19647	100.0
292.20044	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.233
Annotation	Grevillol
Peak:m/z	Relative Intensity
53.23082	0.3
56.32676	0.3
59.01234	0.6
60.90312	0.3
69.74064	2.5
71.01226	0.4
71.85609	0.3
75.33096	0.3
76.06287	0.3
98.20480	0.5
118.74039	0.3
127.07510	0.5
141.09000	0.5
155.10684	0.6
213.86635	0.3
241.92918	0.4
245.97966	0.3
247.02521	0.7
247.20238	0.4
291.09079	5.3
291.19827	5.7
291.23282	100.0
292.09128	1.0
292.20322	0.6
292.23608	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62225	0.5
57.03313	2.7
59.01252	3.2
69.03306	1.2
69.69408	4.1
71.01257	0.7
71.04896	0.8
80.02541	0.6
83.04873	1.5
88.52943	0.5
93.03319	1.0
93.06981	1.1
97.06467	1.7
109.06458	0.8
110.95353	0.7
111.08032	0.9
119.04918	0.7
119.08554	16.3
121.02840	0.8
121.10124	4.9
123.08019	1.1
125.06026	0.6
125.09625	4.5
135.08026	0.6
137.09633	4.2
139.11147	1.7
144.43585	0.6
147.08057	0.7
149.09653	1.4
151.11151	3.3
153.12759	1.0
159.83035	0.6
163.11197	2.3
164.06761	0.6
164.08203	0.6
165.12674	0.5
169.12262	1.8
171.10165	12.4
175.14871	0.8
177.12766	1.4
185.11766	7.8
186.12091	0.6
195.13873	0.8
197.11797	2.8
199.88666	0.6
209.11801	0.7
211.13321	3.7
221.11867	0.8
223.13170	1.6
229.19534	4.6
230.19893	0.8
247.02579	0.6
247.20589	2.9
263.20135	2.1
267.06790	0.6
273.18597	19.5
274.18890	1.7
282.15063	0.6
291.19653	100.0
292.19971	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.89939	1.0
148.08913	1.1
148.98935	1.0
150.10289	1.1
151.11205	1.2
160.34769	0.9
161.54886	1.2
165.12762	20.7
230.71260	1.0
247.20667	9.6
254.01834	1.1
271.22418	1.0
273.18579	4.9
282.76831	1.0
291.19662	100.0
292.20029	7.0
295.36777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59807	0.4
57.03327	2.5
63.71524	0.4
69.03319	0.5
70.63799	0.5
74.15873	0.5
78.97988	0.5
82.27779	0.5
86.52493	0.5
93.06981	1.2
95.04897	0.7
97.06471	2.1
100.98585	0.5
121.10123	11.0
123.08072	1.1
125.09637	6.4
137.32581	0.5
141.12738	1.3
147.08037	1.0
171.10297	0.8
185.11766	14.3
186.12163	0.7
197.11784	3.6
209.11765	1.9
210.12077	0.5
211.13333	0.8
247.13344	0.6
247.20618	1.0
249.18925	0.5
273.18622	1.3
291.19672	100.0
292.20013	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
57.03317	1.3
59.01255	2.5
62.24763	0.3
69.03320	0.5
71.01269	0.4
71.04893	28.8
72.05226	0.5
83.04901	0.6
85.06444	0.4
93.06964	0.6
95.04922	0.4
97.06469	7.8
111.08057	0.4
119.08588	0.3
121.06454	0.4
121.10121	6.3
123.08015	0.8
125.09618	3.9
133.06474	0.3
137.17395	0.3
139.11172	0.4
141.12788	0.4
144.17928	0.3
147.08026	0.4
148.74681	0.3
149.09584	0.3
157.12219	0.5
163.14792	0.6
165.12711	0.5
167.10634	0.4
171.10252	0.5
175.14775	0.4
181.12230	1.3
185.11755	9.2
186.12158	0.5
193.12256	0.4
193.15877	0.8
195.13815	0.6
197.11769	1.8
205.12282	0.4
207.13835	3.0
209.11797	1.1
211.13330	1.2
213.14972	0.4
217.15858	0.5
219.13860	3.5
223.13388	0.9
229.19489	0.6
235.16965	3.0
236.17241	0.4
247.20688	2.1
273.18597	2.0
289.17810	0.3
291.19653	100.0
292.20013	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03329	1.8
59.01243	1.5
65.38515	0.3
74.79979	0.4
83.04922	0.5
93.06965	0.9
97.06472	1.4
98.19771	0.9
98.31583	0.4
109.06458	0.5
111.08055	6.6
112.08266	0.4
121.10126	7.8
122.10497	0.5
123.08047	1.2
125.09623	4.3
135.11694	0.4
137.09641	0.6
141.12791	0.5
147.08046	0.5
149.09625	0.5
163.11172	0.5
167.10643	1.2
170.30283	0.4
171.10181	0.4
177.12779	1.3
179.10728	1.3
185.11774	9.6
195.13889	3.7
197.11786	2.4
209.11717	1.3
211.13365	1.2
223.13324	0.6
247.20651	1.5
273.18701	1.9
281.78299	0.4
282.12003	0.4
291.19678	100.0
292.20056	10.3
307.03278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	4.2
59.01255	4.1
62.59640	0.8
66.24523	0.9
69.03307	0.9
70.35860	0.8
70.97880	0.8
71.34275	1.6
71.49357	0.8
71.60140	0.8
76.38303	0.7
79.49171	0.9
81.03304	1.2
83.04897	2.2
93.03308	1.2
95.04889	1.1
97.06453	1.9
99.91222	0.8
106.04148	1.5
107.08549	14.2
108.08906	0.8
109.06485	1.3
119.08554	29.3
123.08042	2.1
125.09615	6.8
133.06465	1.5
135.08060	2.9
137.09639	9.2
139.07500	1.2
141.12788	1.0
145.06567	1.5
149.09598	1.6
151.11206	3.0
163.11195	1.3
177.12787	1.1
185.11711	3.6
191.14357	2.9
197.11783	3.8
211.13300	3.2
217.01273	0.8
227.17938	1.1
245.19093	11.4
246.19431	1.1
267.36118	0.9
271.17020	4.0
272.17206	0.9
289.18097	100.0
290.18384	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33014	0.4
57.03321	0.5
62.17258	0.5
69.26094	0.7
69.26351	1.4
69.26770	3.4
95.04893	0.5
97.06465	0.7
108.81161	0.5
119.04932	0.4
119.08553	4.7
121.10107	2.3
123.08030	0.5
125.09611	2.0
141.46008	0.4
148.08827	1.9
149.09604	0.5
149.73059	0.5
151.11197	1.6
153.12762	1.0
165.12799	1.3
171.10188	4.4
175.14893	0.5
177.12753	0.7
177.35358	0.4
185.11766	5.4
197.11716	1.3
203.14355	1.3
223.13426	0.7
229.19525	2.8
247.20668	4.8
273.18585	5.4
274.18866	0.9
291.19672	100.0
292.20007	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
59.01258	3.5
62.00964	0.4
69.75633	0.6
69.76044	1.9
71.01253	0.5
71.04900	0.4
80.02541	1.5
81.03336	1.1
83.04881	0.8
93.03323	0.4
93.06969	0.8
95.04897	1.0
97.06459	0.9
98.21323	0.4
106.04101	2.2
107.04893	1.0
109.06480	9.8
111.08057	2.2
117.06979	0.4
119.04922	0.5
119.08539	1.3
120.05642	0.5
121.02852	0.6
121.06467	1.0
121.10081	0.6
122.03653	1.8
123.08062	2.5
127.07504	0.5
129.09019	0.4
133.10181	0.5
135.08060	0.7
135.11679	0.4
137.09595	1.7
143.10680	1.7
145.06500	3.5
149.02347	6.2
149.09660	2.7
150.03134	2.2
151.11209	2.6
153.09106	0.5
159.08066	0.9
161.02342	3.9
161.09573	0.6
163.11160	1.3
167.10638	1.9
175.03909	0.6
175.11101	0.5
177.09166	0.4
177.12822	0.8
179.10654	1.0
181.12303	0.7
182.02203	0.6
189.05472	0.4
190.06233	0.7
191.14339	2.1
203.07021	0.4
205.08675	4.2
215.14360	0.9
217.15912	0.9
220.30931	0.4
245.19081	15.3
246.19362	1.4
261.18640	0.8
271.17093	2.8
273.14847	1.1
287.16577	2.8
289.14514	14.6
289.18051	100.0
290.14835	1.3
290.18381	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65627	0.3
57.03310	0.5
59.01248	3.7
59.34627	0.4
67.82161	0.3
71.01253	0.6
80.02542	0.8
80.02990	0.4
81.03343	0.7
81.64581	0.4
83.04899	0.7
90.93845	0.3
93.03342	0.4
95.04898	1.5
97.06452	0.7
105.38199	0.3
106.04111	0.5
109.06485	2.6
111.08017	1.4
113.09637	0.6
119.04910	1.3
119.08525	0.8
120.05691	0.8
121.02833	0.7
123.08052	0.7
125.09598	0.5
127.07529	0.5
129.09105	1.2
131.04987	0.4
133.06505	0.8
134.07288	1.5
135.04399	1.1
135.08058	0.8
136.05228	0.5
137.09634	2.2
145.06471	1.5
147.08124	0.7
149.05956	0.5
149.08464	0.7
149.09631	10.2
150.09932	0.5
151.11201	19.4
152.11584	0.8
159.08067	1.5
161.09660	1.0
163.07584	0.6
163.11179	1.3
164.08324	1.8
165.09048	0.5
175.11177	0.7
177.09196	0.6
177.12778	9.1
178.13037	0.5
179.10635	0.4
181.12280	0.6
187.11217	0.5
188.12042	1.0
189.12764	0.6
191.14362	1.8
193.12267	0.6
203.14291	1.0
217.12347	0.4
217.15915	1.9
227.17871	0.4
229.15984	0.6
229.37352	0.4
243.17467	0.6
245.11859	0.5
245.19081	25.8
246.19443	2.3
247.16910	0.7
252.50481	0.4
271.17096	5.7
273.14935	2.8
287.16595	1.5
289.18094	100.0
290.18466	8.9
293.89825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1447
Annotation	Chermesinone A
Peak:m/z	Relative Intensity
50.15501	0.4
57.03318	1.1
59.01252	4.4
65.03817	0.6
67.01765	0.9
69.03336	0.7
69.87657	3.3
71.04904	0.7
80.02522	0.8
81.03339	1.0
83.04903	1.5
85.06458	11.1
93.03326	2.8
95.04898	3.7
97.06460	2.2
106.04153	0.7
107.04922	2.1
108.02042	1.1
109.02857	2.6
109.06471	3.0
111.08050	0.5
119.04882	1.0
119.07743	1.0
119.08556	13.6
121.02836	2.4
121.06586	0.7
121.10146	0.6
122.03627	8.1
123.04433	0.9
123.08035	2.3
125.09624	5.0
129.09163	0.7
130.04091	0.7
131.04903	1.3
135.08063	0.9
136.01552	0.7
137.02344	19.5
137.09637	1.0
138.02690	0.8
143.04936	0.5
145.06461	4.0
146.07185	0.8
147.04402	0.7
147.08011	1.6
148.08815	1.2
149.02338	9.3
149.09624	3.8
150.03142	11.6
151.03891	0.9
151.11188	6.6
157.06500	1.5
159.07991	0.9
161.02362	10.7
161.09599	1.4
163.04005	0.6
163.07544	2.0
163.11165	4.0
165.12769	0.7
167.10735	0.8
175.07558	1.4
176.12143	0.6
177.12782	2.9
182.02116	2.5
185.11758	1.2
188.11949	0.9
189.05475	5.5
189.12770	0.8
190.06255	1.0
191.07071	9.5
191.14331	6.2
197.11792	0.6
203.07072	7.1
203.14302	0.9
207.06554	1.2
211.13364	1.3
217.15979	2.1
227.18181	1.0
243.17369	0.8
245.19087	25.4
246.19464	2.5
247.17003	0.9
261.18463	0.9
271.13495	1.7
271.17020	5.2
287.12991	1.1
287.16479	1.3
289.14478	92.4
289.18079	100.0
290.14792	8.6
290.18436	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1196
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
51.82247	1.0
57.03366	1.0
57.66820	1.2
59.01257	3.2
68.35330	1.1
69.75764	2.1
69.76171	6.6
71.01257	1.8
85.02834	1.7
92.30726	1.1
93.61472	1.2
108.04449	2.3
120.04432	1.2
122.05987	4.0
124.03940	2.3
125.38435	1.1
134.06001	6.5
135.04393	1.4
136.03926	1.3
136.07648	1.4
147.96577	1.2
150.05527	4.3
172.07672	1.8
175.05072	1.1
184.07567	5.5
185.08286	1.5
185.09647	4.5
190.01617	1.1
199.08717	2.8
200.10777	4.2
211.05104	1.1
212.03940	1.6
212.05795	12.5
213.06589	10.7
214.07280	2.0
215.08098	3.1
227.08211	38.0
228.08891	56.1
229.09634	4.8
241.09724	1.8
243.11365	10.9
256.08490	3.6
259.10883	2.9
271.10873	100.0
272.11255	7.5
289.11920	19.5
289.16412	5.7
290.12366	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0331
Annotation	Sedoheptulose 7-phosphate
Peak:m/z	Relative Intensity
56.86361	0.4
71.01260	0.9
71.27341	0.6
78.95775	45.6
85.02813	0.6
85.78405	0.4
87.00690	0.4
96.96839	100.0
101.02305	1.3
115.00244	0.7
130.39589	0.4
138.97932	3.9
150.97911	0.4
168.98991	1.4
173.04533	0.6
173.82936	0.4
191.05643	1.9
192.14352	0.4
199.00053	8.2
205.74733	0.4
229.01208	0.6
235.88721	0.4
253.01212	0.5
274.59903	0.3
289.03284	6.8
289.06140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.71785	0.3
58.58067	0.3
59.01233	1.3
70.15126	1.7
81.03329	1.0
82.54788	0.3
84.16463	0.3
92.04925	0.9
92.56794	0.3
93.03331	1.4
107.03680	0.5
108.02020	0.4
108.04436	4.2
109.02831	4.6
113.20754	0.3
119.08546	1.1
120.89795	0.4
124.01600	0.5
134.02377	43.3
135.03188	8.7
136.03946	39.5
137.02345	2.2
137.04311	1.2
148.03922	1.4
149.04713	1.9
151.11182	0.6
158.62915	0.3
161.02379	0.4
176.03459	6.5
176.07002	0.3
177.04053	0.8
177.12769	0.4
181.03658	0.6
190.04935	0.5
191.14415	0.5
245.19124	1.0
271.17017	0.7
288.16058	100.0
289.16376	6.1
289.18314	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63202	0.6
57.03332	0.8
59.01249	6.8
59.96923	0.6
64.58214	0.7
70.87507	2.0
78.13308	0.7
80.02557	1.7
81.03330	2.8
83.04900	0.9
92.63631	0.7
93.06982	0.9
95.04893	7.9
97.06476	1.5
99.08048	1.5
106.04147	1.4
107.04919	3.6
109.06474	13.0
111.08045	1.4
119.04943	1.5
119.08554	1.2
120.93459	0.7
121.06506	5.1
121.10117	2.4
121.52573	0.7
123.08052	8.4
125.02298	1.1
127.07555	1.2
132.05692	0.9
133.10126	0.9
134.07204	0.7
135.08060	3.2
135.11649	0.9
141.09108	0.9
141.12752	1.6
145.06520	1.2
147.08080	4.5
149.09595	4.4
158.07233	0.9
159.08080	2.2
161.09625	3.4
171.07974	1.2
175.11186	3.4
177.58423	0.7
185.09720	0.8
188.11775	0.7
189.12801	10.0
190.13214	0.9
191.10637	0.8
201.12788	0.8
215.14369	2.0
225.16359	0.9
227.14325	0.8
241.16019	1.5
243.17511	45.0
244.17816	4.3
269.15457	2.9
269.21234	1.3
285.20801	1.5
287.16553	100.0
287.22214	65.3
288.16876	12.8
288.22485	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59943	0.5
54.12440	0.4
56.60360	0.4
57.03314	0.9
59.01250	7.1
65.03833	0.9
69.03313	0.5
70.22261	0.4
70.87201	0.6
70.87589	1.3
71.01243	0.6
80.02539	1.1
81.03338	2.2
83.04892	1.6
93.03301	1.1
93.06968	1.2
95.04907	8.5
97.06477	1.7
106.04130	3.1
107.04931	2.9
109.06476	12.9
111.08016	1.5
112.94327	0.4
117.07081	0.5
119.04905	0.9
119.08556	0.7
121.06480	4.9
121.10111	2.3
123.08051	8.3
125.02270	0.7
127.07523	0.7
132.05702	1.0
133.06468	0.7
133.10106	1.2
135.08047	3.2
135.11748	0.8
141.09076	0.7
145.06477	1.3
147.08057	3.9
149.09628	5.0
157.06477	0.8
158.07220	0.7
159.08002	1.5
159.11726	0.5
160.08774	0.7
161.09631	3.3
163.07494	0.7
163.11232	1.0
171.08044	1.3
173.08102	0.4
173.09641	1.4
175.07671	0.5
175.11217	2.5
177.09099	1.2
185.09572	1.0
186.10359	1.0
187.11237	1.1
189.12781	10.0
190.13098	0.6
191.10745	1.0
201.12755	0.9
201.16333	0.7
213.21487	0.5
214.13574	0.5
215.14381	2.2
225.16309	0.9
227.14432	1.0
228.15131	0.5
241.15871	1.4
243.17505	42.5
244.17812	3.2
269.15500	3.3
287.16519	100.0
288.16879	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1287
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
59.01247	2.3
65.03809	1.0
65.62397	0.8
67.01750	1.6
71.34785	1.9
71.40793	0.8
74.08138	0.8
81.03326	8.6
83.56589	0.9
91.05402	1.2
93.03343	2.6
97.06474	9.5
104.26453	0.8
105.03365	4.0
109.02845	1.6
117.03336	1.5
119.04942	1.2
121.02843	10.3
121.06492	0.9
122.03626	5.8
125.02354	2.0
130.04176	0.9
134.02359	2.6
135.04399	1.7
136.03911	1.5
137.01398	1.3
137.02359	17.6
137.09636	9.9
138.02682	1.1
143.04912	2.3
145.06528	1.7
149.02351	91.8
150.03107	6.4
161.02359	13.0
161.05989	1.4
163.03922	24.3
171.04428	2.1
174.03206	0.8
182.02014	0.9
187.04025	5.8
187.07460	1.4
188.04430	0.8
189.05498	24.3
190.06065	1.9
203.06995	1.1
205.08640	3.3
243.17595	1.6
287.12906	100.0
287.16354	3.4
288.13187	8.6
288.16147	4.4
304.15536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
57.03319	0.5
59.01244	0.7
70.02836	1.1
71.06302	1.0
74.05988	1.9
85.06467	0.6
107.28621	0.5
117.07029	2.6
118.04980	1.7
120.00660	0.5
120.38210	0.5
125.02364	0.6
226.33444	0.7
240.23256	3.8
242.21213	2.2
242.24843	0.5
243.17570	0.6
268.22760	1.1
286.04446	1.2
286.23877	100.0
287.16373	4.8
287.24274	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
56.05984	1.2
57.03323	17.6
59.01251	2.6
63.02250	2.5
65.00194	8.4
65.35928	0.9
68.27427	0.9
69.77174	1.8
69.77583	4.8
81.03329	4.5
82.02874	1.1
83.01252	14.0
83.04847	1.4
85.02803	1.0
87.04361	0.9
93.03325	2.2
95.01198	1.0
107.01280	5.5
107.04900	2.1
109.02829	2.3
109.06449	1.3
111.00758	1.8
123.00743	1.3
123.04351	2.4
124.01546	4.9
125.02336	100.0
126.02628	1.4
131.04913	2.7
133.02783	3.2
134.03606	1.6
135.54031	1.0
137.02322	1.2
151.00270	9.0
152.01053	9.8
153.01770	2.0
157.06439	1.6
159.04353	3.0
163.06192	1.3
165.01927	1.2
172.05142	1.9
173.05992	6.4
175.03847	1.3
177.05489	15.5
178.99774	9.1
181.35947	1.0
197.06032	1.0
199.07500	2.4
201.05515	9.1
215.04539	3.3
215.07047	6.4
219.06635	1.4
241.04973	1.9
243.06609	14.9
244.09917	1.1
259.06100	72.0
260.06357	5.4
269.04559	2.7
276.54156	1.1
287.05585	36.4
287.09955	1.9
287.14893	2.9
288.05878	2.9
300.61615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
52.04534	0.4
57.03336	0.7
59.01229	0.7
62.63329	0.4
65.30598	0.5
71.49546	0.9
78.95786	0.5
83.01253	0.5
93.17569	0.5
97.92115	0.4
100.71424	0.4
150.48909	0.5
169.01184	0.5
179.76991	0.4
195.17531	0.8
221.19057	0.6
221.90317	0.5
223.20621	66.3
224.20976	4.1
241.21692	1.7
267.19650	38.3
268.19952	2.6
285.04050	7.6
285.20712	100.0
285.27255	2.1
286.04434	1.0
286.21054	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75401	0.7
57.03326	5.1
58.00448	1.3
59.01229	0.7
68.58662	0.6
70.91853	1.4
72.82080	0.9
81.03347	0.9
83.04875	1.5
85.06473	1.8
95.04897	1.5
97.06468	11.2
101.05960	100.0
102.06304	2.6
113.05966	2.4
115.07553	8.9
119.04931	4.0
119.25124	0.7
123.08024	7.4
125.09611	93.3
126.09972	4.3
127.11160	3.8
133.02831	0.8
139.11198	1.1
155.10675	1.9
157.02852	1.0
157.12187	0.8
165.09111	2.9
168.41953	0.7
169.08604	3.3
171.10194	6.4
173.06018	1.0
183.10207	2.2
187.09673	12.0
197.06053	1.7
199.03894	1.6
199.09557	0.8
201.11250	58.4
202.11592	3.7
205.15979	1.2
211.13281	1.2
223.17027	6.6
227.16457	2.5
241.05043	5.5
242.05231	0.9
249.14914	1.8
249.87143	1.0
257.17560	11.2
258.18143	0.8
267.03079	0.8
267.06677	1.9
267.16010	19.3
268.16272	1.3
285.04037	14.4
285.07242	1.4
285.17093	7.3
285.20401	1.6
285.27127	1.8
286.04413	1.6
286.17480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38431	2.4
56.81733	2.3
59.01245	7.3
62.06651	2.2
64.19373	2.6
67.01771	9.3
69.03336	5.1
69.79316	11.5
69.79731	4.0
77.96908	2.6
78.95776	15.2
81.03367	2.9
83.04909	5.8
84.02039	87.1
85.02356	3.1
93.03333	3.1
95.01236	5.1
97.02828	4.0
97.06493	3.6
99.04398	100.0
100.04705	3.9
109.02840	4.0
109.06448	2.5
123.04384	2.8
125.09592	8.0
127.35134	2.8
137.09589	5.0
137.28154	2.5
138.59486	2.8
148.51637	2.4
153.09093	13.1
155.10681	4.7
171.10187	52.3
177.12926	2.6
193.12355	3.3
203.10738	4.1
207.87396	2.5
211.13350	5.1
221.11855	13.5
235.13326	5.1
238.12108	9.0
241.05074	3.5
253.14369	8.7
284.26877	3.2
285.04092	48.3
285.07233	3.9
285.17084	95.5
285.20679	33.4
285.27130	11.4
286.04120	3.2
286.17358	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Brazilin
Peak:m/z	Relative Intensity
65.00256	0.7
66.34664	0.6
69.33201	4.9
75.21159	0.5
87.00358	0.5
89.03963	0.5
108.02134	0.7
119.04967	1.1
123.00817	0.6
143.05060	0.8
145.02971	0.8
157.06563	1.7
159.04520	1.5
169.06557	0.9
171.04448	12.0
172.05211	1.9
180.05780	0.6
181.06490	1.2
183.04466	10.4
183.08134	0.9
184.05351	0.6
185.06044	1.6
187.07565	5.7
196.05249	1.4
197.06071	1.7
198.03220	1.3
199.07567	3.8
209.06003	0.8
210.06876	1.4
211.04172	0.7
211.07629	5.6
212.04813	1.7
213.05525	9.8
221.06088	0.8
222.06856	1.7
223.07581	5.0
224.04781	0.6
224.07719	0.6
225.05571	7.5
226.06050	0.8
238.06299	0.7
239.03433	0.8
240.04210	2.2
253.05049	2.0
254.05917	2.2
255.06615	79.2
256.06909	6.4
265.05115	1.3
266.05719	1.4
267.06622	100.0
268.06915	8.2
283.06213	1.6
284.26788	0.8
285.04135	10.2
285.07654	80.5
285.27069	0.7
286.04608	1.2
286.08026	5.1
286.66260	0.5
289.78156	0.6
302.77353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	0.6
65.00195	0.4
71.58514	0.6
75.19979	0.3
83.04932	0.3
87.04427	0.9
99.04419	1.0
107.04929	0.5
119.04927	0.4
123.04429	0.5
146.03580	0.4
147.00853	0.4
151.00334	0.4
157.06500	0.9
159.04449	0.6
168.05638	0.5
169.06523	1.2
170.05220	0.3
171.04433	12.8
172.05196	2.3
181.06544	1.2
183.04443	8.5
183.05965	0.6
183.08086	1.0
184.05112	1.3
185.05971	2.3
187.07565	6.0
193.06609	0.5
195.08046	0.5
196.05254	2.2
197.06030	1.2
198.03145	0.8
198.06778	0.5
199.07582	4.5
208.05118	0.4
209.06033	1.4
210.06801	1.4
211.04054	0.4
211.07573	5.2
212.04678	1.6
213.05518	8.3
214.05956	0.6
221.06020	1.2
222.06830	1.5
223.07622	4.6
224.04718	0.6
225.05508	7.4
226.06158	0.4
227.07095	0.7
237.05504	0.6
238.06378	0.8
239.03445	1.3
239.07082	0.4
240.04227	2.2
253.05016	0.9
254.05698	1.8
255.06604	77.3
256.06934	6.0
265.05048	1.0
266.05853	1.6
267.06613	100.0
268.06998	7.4
283.06134	1.7
284.26773	1.1
285.07669	73.9
285.27054	0.9
286.08020	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Fisetin
Peak:m/z	Relative Intensity
59.01240	0.5
63.02275	0.9
65.00193	1.2
67.01745	0.3
79.01783	0.4
80.07040	0.2
83.01276	1.4
85.02837	0.2
91.01794	0.3
93.03342	3.9
93.45063	0.2
95.01283	0.5
101.05933	0.4
107.01273	1.9
108.02050	0.7
109.02850	1.4
117.03333	1.2
119.01295	0.3
119.04926	0.3
121.02857	0.5
123.00757	0.5
123.04413	0.7
125.09660	0.3
130.04153	0.4
131.04959	0.3
133.02844	0.6
135.00789	0.6
136.01558	0.2
137.02362	0.9
141.06985	0.2
143.04964	1.6
145.02873	1.5
145.06526	0.2
151.00282	1.6
154.04115	1.1
155.04918	0.6
156.05777	0.4
157.02858	0.6
157.06491	0.6
158.03661	0.4
159.04456	1.5
161.02415	0.8
161.05949	0.2
163.00302	1.0
164.01053	0.5
165.01892	0.3
167.04947	0.7
168.05685	0.6
169.01341	0.8
169.06509	1.2
171.04446	1.3
171.10156	0.3
173.02351	0.7
173.06012	0.3
175.03983	0.4
183.04425	0.5
184.05211	0.6
185.06001	3.0
187.03932	2.1
188.55498	0.2
195.04442	0.5
196.05063	0.2
198.03198	0.3
199.03935	0.6
201.05511	0.7
201.95717	0.2
211.03918	1.5
211.13358	0.8
211.45419	0.2
212.04698	0.4
213.05476	0.9
214.02692	0.9
215.03436	0.7
219.02934	0.4
227.03494	0.9
228.04083	0.2
229.04990	2.6
239.03464	1.9
240.04129	0.6
241.05051	0.7
241.15947	0.3
242.05692	0.3
243.02946	0.7
255.02991	0.8
256.03613	0.5
257.04556	1.3
265.51883	0.2
267.03149	0.2
267.06314	0.2
268.03790	0.2
284.03229	0.3
284.26779	1.5
285.04050	100.0
285.20728	1.0
285.27118	0.8
286.04382	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02272	1.5
65.00197	5.3
71.01260	0.3
71.04890	0.5
71.58210	0.4
75.00746	0.3
81.45629	0.3
82.34335	0.2
83.01260	2.3
85.72118	0.2
89.08087	0.2
93.03336	0.6
95.01266	0.6
105.03322	1.1
107.01271	6.7
108.99191	0.3
119.04900	0.6
121.02836	1.1
123.00790	2.9
123.04379	0.6
124.01566	0.7
125.09582	0.3
127.11140	0.3
132.02083	0.6
133.02852	27.4
134.03185	1.0
135.00752	0.4
135.04404	1.0
143.04944	0.6
147.04379	0.7
149.02357	3.9
149.06039	0.6
151.00275	11.3
152.00615	0.3
155.04953	0.4
159.04414	0.3
161.02383	0.3
161.05930	0.3
163.53464	0.3
169.01344	0.3
169.06526	0.6
171.04428	0.8
173.02336	0.5
173.05885	0.4
175.03926	4.6
177.01810	0.3
185.05969	0.7
187.03934	0.4
189.05486	0.6
197.05981	0.5
198.03209	0.7
199.03981	4.0
201.01860	1.9
201.11200	2.4
211.03882	0.5
212.04572	0.3
213.05513	1.1
213.11235	1.4
215.03557	0.5
217.05013	3.0
223.03998	0.3
227.12840	0.3
229.04956	0.7
231.34242	0.3
241.05023	2.3
243.02921	1.0
249.14989	0.4
257.04520	1.5
267.02957	0.7
267.16019	0.7
284.26871	1.4
285.04041	100.0
285.17108	2.4
285.20441	0.7
285.27332	0.5
286.04361	7.9
286.06989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
71.06933	0.8
95.01917	0.4
107.04909	100.0
108.05223	2.8
115.03435	0.4
123.04440	0.5
147.08031	0.7
148.91891	0.3
159.97276	0.4
163.11197	96.4
164.11536	4.6
247.97296	0.4
283.17035	83.0
283.22827	3.4
283.26352	24.0
284.17365	8.0
284.26801	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2123
Annotation	6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
Peak:m/z	Relative Intensity
57.03315	0.8
59.01250	5.0
71.01231	2.1
71.57053	0.9
71.57426	1.3
84.67940	0.8
125.09605	1.6
127.11175	1.0
171.10178	50.5
172.10509	2.4
176.51540	0.9
245.19089	1.1
263.20139	58.8
264.20462	5.0
281.21231	100.0
281.24548	6.2
282.21564	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00239	0.7
54.43386	0.7
59.01247	3.6
66.28130	0.5
67.54286	0.6
68.01288	13.9
68.99687	2.7
69.03326	22.6
69.35745	4.1
69.36168	1.7
70.02842	3.4
71.01260	4.0
71.88818	0.6
72.99199	0.7
73.02827	1.0
81.29414	0.6
82.02862	1.9
83.04895	7.1
85.02837	1.4
87.54646	0.5
89.02318	1.1
94.06437	0.6
95.04910	1.1
96.04420	0.7
97.02805	0.7
98.02376	0.7
99.00771	1.0
101.02322	1.4
109.01601	0.6
109.02856	1.3
111.00776	0.8
112.03855	0.8
113.02372	0.9
119.04945	0.7
122.02386	2.5
122.06026	7.3
123.03166	8.7
124.03948	2.1
124.07567	0.8
135.03145	0.9
136.04001	0.9
136.07596	0.9
137.04724	3.7
137.05840	0.7
138.05508	100.0
139.03912	1.7
139.05875	3.1
148.07600	1.2
150.05426	0.7
150.09109	1.3
152.03456	1.0
152.07076	8.9
155.18655	0.7
160.07649	0.6
162.01933	0.8
163.02652	0.8
164.07101	2.4
165.13008	0.6
166.05023	1.1
167.05769	6.5
176.07262	0.6
178.04932	0.6
178.08537	0.8
179.05852	1.1
180.06580	6.3
183.05313	1.1
192.06592	58.3
193.06885	3.0
194.08022	1.0
202.49776	0.6
204.06580	0.9
209.58394	0.6
234.07607	0.7
282.09854	37.5
283.05908	1.4
283.10138	2.9
283.26447	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.2
55.53843	1.7
57.03334	3.3
57.51370	2.0
58.00462	3.4
59.01249	94.7
68.82211	1.6
70.96305	1.9
70.96637	3.9
71.01252	100.0
72.99168	6.6
73.02821	18.0
83.01253	7.9
85.02821	34.0
87.00748	6.1
87.04382	1.8
89.02313	58.8
94.52232	1.7
95.01271	4.1
99.00754	8.8
101.02322	75.6
113.02324	36.0
119.03391	25.0
119.07031	10.6
131.03409	2.1
133.04955	6.0
143.03400	4.7
159.02910	5.0
161.04463	35.9
179.05577	2.9
212.98254	1.9
281.08762	11.7
281.12399	30.0
281.24625	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42363	2.0
55.01736	2.0
59.01247	5.5
60.22931	1.9
62.86617	1.8
65.53904	1.9
71.01260	6.2
71.56833	1.9
71.57237	2.7
72.99183	3.2
73.02808	4.4
73.31153	1.8
75.00749	22.9
87.00754	30.5
93.03345	2.2
96.95875	2.2
117.01826	37.2
119.04914	77.8
120.05240	3.8
124.02129	2.4
125.07374	2.1
130.53777	1.8
132.73007	2.0
135.02895	64.0
137.02345	2.9
163.03918	100.0
164.04274	3.7
167.66490	1.9
266.07825	3.3
281.06796	2.1
281.14282	1.8
281.24899	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94435	0.3
53.16311	0.3
59.01246	1.1
62.28568	0.3
65.03825	0.6
69.03319	0.4
71.01258	1.5
71.45283	0.6
73.02821	0.5
83.01247	1.7
85.02824	0.8
87.00732	0.3
93.03334	88.2
94.03664	2.2
96.95888	0.6
97.02847	0.5
101.02318	0.5
104.08592	0.3
107.04893	0.6
109.02836	0.4
113.02321	0.9
119.04996	0.3
121.02852	1.4
122.26132	0.3
133.02847	1.2
135.04431	1.9
137.02342	100.0
138.02666	3.0
146.14337	0.3
146.24303	0.3
149.02354	0.3
151.03937	3.0
161.02359	1.3
163.03896	0.7
173.04466	1.1
175.53586	1.1
178.02629	0.5
179.03433	2.4
191.03435	0.6
191.05522	1.2
211.13416	1.4
281.06790	0.9
281.14194	0.7
281.17538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55493	0.2
50.93129	0.2
55.16676	0.2
59.01240	1.1
69.87693	1.3
71.01288	0.5
167.00050	0.4
219.02756	0.3
234.10193	0.2
235.09993	2.2
236.10413	0.3
261.22305	0.3
279.17068	2.3
279.23297	100.0
280.23642	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.61491	0.2
59.01246	0.4
67.51244	0.2
70.44974	0.7
74.83237	0.2
98.20500	0.2
160.40367	0.2
211.29625	0.2
261.22134	0.4
270.51035	0.2
275.83279	0.2
279.23282	100.0
280.23642	9.7
280.26788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2324
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01242	1.0
60.24144	0.2
62.40281	0.3
68.75612	0.3
69.28316	0.8
69.28728	2.1
71.01248	0.4
73.45445	0.3
75.26219	0.3
83.01262	0.3
95.34776	0.2
95.40450	0.2
96.95871	0.4
97.48920	0.3
101.02360	0.3
109.25686	0.3
261.22159	0.4
271.42123	0.3
279.23291	100.0
280.23642	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
57.03318	2.8
59.01256	5.8
61.31815	1.2
69.18127	1.3
71.01241	1.9
71.58345	2.3
71.80779	1.2
89.82848	1.3
96.95897	12.6
99.08059	8.5
107.08560	10.2
109.66050	1.3
113.39906	1.3
123.08037	3.0
125.09612	3.6
162.68031	1.3
163.14809	1.9
171.10184	28.7
181.19481	1.2
183.10275	1.5
185.11673	5.8
195.13760	1.5
195.77299	1.2
197.11800	1.3
199.75000	1.2
217.19576	3.1
219.02989	1.9
235.17004	6.6
261.18588	25.8
262.18954	2.4
279.16251	10.1
279.19626	100.0
279.23172	20.3
280.19995	7.8
280.23111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
58.00468	1.4
59.01252	46.8
68.94900	0.8
69.56519	2.1
69.56939	4.6
71.01254	23.3
71.04894	9.8
72.99178	2.2
73.02816	1.6
75.00729	0.8
82.43331	0.9
83.01254	2.6
85.02831	6.4
87.00741	2.2
89.02322	21.7
91.51897	0.8
93.03335	1.8
95.01283	1.9
97.02860	0.7
99.00774	1.0
99.04395	9.8
101.02319	19.9
101.05966	1.2
108.91444	0.8
113.02335	10.6
113.05984	2.1
117.05467	67.3
118.05838	2.0
119.03400	11.8
128.14595	0.9
129.48505	0.8
141.57312	0.9
143.03450	1.7
159.06506	3.0
161.04433	1.8
173.04475	2.0
179.05484	2.0
191.05547	3.6
192.72031	0.8
237.09747	1.3
259.62494	1.0
279.10855	100.0
280.11157	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.57978	1.5
58.00464	4.4
59.01252	81.3
67.53658	1.6
71.01257	44.1
71.04879	7.1
71.57269	2.4
72.93201	1.6
72.99187	3.0
73.02809	3.1
81.22756	1.8
83.01250	1.7
85.02807	11.0
87.00730	3.1
89.02316	36.4
95.01251	1.8
99.04399	21.5
101.02316	26.8
113.02333	12.9
117.05469	58.4
118.05830	2.8
119.03386	17.1
159.06566	1.7
161.04472	1.9
173.04420	1.9
179.05583	3.3
194.57259	1.5
218.65115	1.7
237.09889	1.8
237.69392	1.6
279.10846	100.0
279.22937	1.7
280.11166	6.6
302.30829	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01249	1.3
68.54955	0.2
69.59293	1.5
71.01252	0.4
107.28597	0.2
127.07551	0.3
159.81746	0.2
166.26476	0.2
226.83762	0.2
233.22701	0.5
259.20566	0.6
275.20200	0.5
277.21713	100.0
278.22070	10.8
283.37396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96024	0.6
56.42800	0.6
59.01252	0.9
62.02942	0.7
66.58666	0.6
69.25340	4.0
69.25771	2.9
80.98984	0.6
82.06648	0.5
101.15453	0.6
114.02331	0.6
138.65051	0.6
139.53441	0.6
159.24664	0.7
177.14671	0.6
233.22661	0.8
259.20804	0.9
275.20297	0.7
277.21707	100.0
278.22037	6.1
295.58905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Diaportinic acid
Peak:m/z	Relative Intensity
54.20726	0.2
59.01249	0.4
61.16720	0.2
65.00195	0.8
65.03848	0.3
67.01768	0.3
68.99696	1.2
71.01244	1.3
72.75163	0.2
72.99187	0.4
80.02560	0.5
81.03354	0.3
85.02831	0.9
91.01773	45.6
92.02104	1.2
93.03367	0.4
94.79836	0.2
101.02373	0.2
105.07049	0.3
107.01282	0.5
107.04936	0.3
108.02051	1.6
109.02840	3.1
113.02310	0.5
117.03374	0.7
119.04932	1.1
121.02853	1.3
123.04469	0.2
131.04927	0.3
133.02936	1.0
135.00781	100.0
136.01042	2.7
137.01381	0.4
137.02356	4.7
143.04985	0.3
145.02835	0.9
147.04431	1.6
148.01573	0.8
149.02368	1.1
149.05969	0.3
151.03929	0.4
153.01846	5.7
159.04424	0.5
161.02393	2.1
161.05969	0.3
163.03909	0.8
173.02391	0.8
174.03142	0.4
175.03986	1.1
177.01857	0.8
179.03308	0.2
187.03926	0.9
189.01888	0.9
191.03459	0.7
203.03450	0.7
205.01421	0.3
229.24911	0.3
238.60002	0.2
249.04076	0.3
255.24800	0.2
261.14844	0.3
279.05103	62.3
280.05426	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01238	1.4
71.01240	0.6
71.57822	0.6
75.56400	0.3
76.88400	0.4
125.44736	0.3
127.07553	0.4
171.41248	0.3
193.42448	0.4
233.22708	0.7
259.20694	0.6
275.20004	0.4
277.21710	100.0
278.22064	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43001	0.3
59.01247	2.0
66.28011	0.3
69.94966	1.8
82.25356	0.3
83.04901	0.4
86.88221	0.3
93.25767	0.3
93.77924	0.4
111.16470	0.3
192.37576	0.3
193.40956	0.4
203.01297	0.3
233.22708	0.7
275.20145	0.6
277.21722	100.0
278.22089	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
53.52325	0.4
57.79377	0.4
59.01337	3.4
60.97446	0.7
62.36567	0.5
70.62299	1.4
71.01342	0.5
89.00286	0.8
96.23412	0.4
112.74342	0.4
121.03172	4.9
146.99399	0.5
147.08380	4.3
147.09433	0.4
149.01009	0.7
160.98732	0.7
165.00375	11.7
166.00566	0.8
180.99924	1.3
183.01491	0.8
189.04076	1.5
191.05603	11.2
191.07344	0.6
192.05583	0.5
198.10521	0.4
204.97755	0.5
205.07144	2.0
205.15892	1.2
207.05130	1.1
217.07181	0.7
231.08755	1.8
233.10315	100.0
234.10432	8.5
259.15442	1.1
276.96188	0.5
277.16544	81.2
277.21121	13.4
278.16718	8.8
278.21957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.7
70.82076	0.3
71.01258	1.2
83.04877	0.3
127.07542	0.5
133.40729	0.3
139.81285	0.3
233.22755	0.6
259.20743	0.5
275.20172	0.4
277.21710	100.0
278.22015	8.2
296.45898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03283	0.7
57.03320	1.0
59.01253	100.0
59.10368	0.7
61.02586	0.7
71.01256	8.7
71.04888	1.2
71.29824	2.0
72.99210	1.0
73.02814	4.2
75.00774	0.8
83.01287	2.0
85.02827	5.8
87.00751	2.2
89.02319	2.2
95.01314	1.0
99.00755	1.7
101.02323	7.2
113.02347	3.8
115.03877	2.4
131.07062	1.6
134.03552	1.0
150.74155	0.8
159.02921	1.0
161.04474	2.8
235.11839	8.8
277.07056	1.2
277.12909	1.1
277.21802	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99920	0.5
59.01251	5.3
61.60581	0.6
64.68589	0.5
69.25308	1.6
69.25730	4.3
71.01235	0.6
72.48280	0.6
83.04876	1.2
117.67146	0.5
177.16414	3.0
231.17607	0.8
231.21132	10.3
232.21516	1.1
257.19086	0.9
275.20151	100.0
276.20541	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61501	1.0
59.01253	8.3
71.01271	1.8
73.25757	1.0
83.04910	1.2
107.75676	1.0
108.90387	0.9
166.18726	1.0
177.16415	3.1
231.21170	9.3
275.16779	5.4
275.20163	100.0
276.20535	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.54697	3.9
55.79525	3.7
60.25747	4.2
69.87730	26.9
76.98908	4.3
91.65576	4.2
231.21140	100.0
232.21417	7.2
248.07864	4.1
275.20166	65.8
276.20502	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.5
59.01252	27.5
63.16848	1.2
64.42731	1.3
69.03329	3.1
71.01257	2.5
71.58253	2.4
82.00472	3.2
83.04890	2.3
107.08500	1.4
109.06342	1.2
117.07020	1.9
121.02876	5.9
121.10098	2.6
135.11710	2.4
147.11690	1.5
149.13301	2.1
163.07544	1.3
175.14828	19.5
178.02641	2.9
195.13843	4.9
229.19583	67.5
230.19901	6.4
255.17659	2.3
272.37289	1.4
273.18607	100.0
274.18915	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33915	0.5
55.80089	0.4
57.03328	1.1
59.01254	16.9
69.03323	1.4
69.77294	2.5
71.01257	0.8
71.04895	0.6
80.02538	0.6
81.03339	0.7
83.04869	1.4
88.28676	0.5
95.04921	0.5
97.06497	1.0
98.19815	1.0
99.08024	0.9
107.08537	1.8
109.06470	0.6
117.07001	1.8
119.08575	3.5
121.10191	2.2
122.44289	0.5
133.10121	1.1
135.11746	0.9
135.54422	0.5
147.11674	0.9
149.13339	0.9
155.10712	0.5
159.08011	0.6
160.08839	0.7
163.07561	0.7
163.11221	4.6
175.14848	12.2
176.15273	0.5
187.14867	0.7
192.11365	0.5
195.13849	2.1
201.16402	1.0
227.18201	0.6
229.19574	42.9
230.19884	3.6
243.17583	1.0
255.17485	2.3
273.18607	100.0
274.18927	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.186
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
59.01250	29.3
60.52635	2.0
69.03323	2.2
69.31704	15.2
69.32120	4.3
71.01250	2.9
74.81046	1.9
75.37831	2.0
80.38537	2.0
83.04891	2.4
92.04988	1.7
98.29075	2.0
99.08054	2.9
107.08597	1.9
115.05315	2.1
117.07016	2.0
121.10085	4.1
133.10014	2.0
161.00890	2.0
175.14857	21.6
195.13847	3.2
229.16052	34.6
229.19568	78.6
230.16180	2.6
230.19916	5.6
273.15173	7.7
273.18588	100.0
274.18912	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33614	0.5
55.97833	0.5
57.03316	0.9
59.01243	0.9
70.98827	1.5
81.03329	1.2
83.01254	4.2
83.04868	0.7
84.02032	2.3
96.95881	0.5
97.02848	1.0
97.03500	0.5
97.06486	0.7
125.09603	7.3
127.11188	1.5
135.08011	0.6
149.99504	0.8
161.02356	0.6
163.11209	1.4
165.12816	1.1
171.10178	4.8
182.12904	0.6
191.10713	3.3
207.10376	0.6
209.11777	4.7
223.13315	1.2
226.12065	1.2
241.14442	3.0
243.15987	1.5
245.04524	0.8
273.17087	100.0
273.20483	3.7
274.17377	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
54.81565	0.4
55.12154	0.4
59.01230	0.4
70.89598	0.6
70.89955	0.8
71.01250	1.3
78.95779	100.0
80.96403	0.6
85.02808	0.7
87.00768	0.5
96.96851	6.6
98.46920	0.4
99.05529	0.6
100.03906	0.5
110.98418	71.0
112.03941	0.4
142.54648	0.4
201.08701	2.0
223.00238	0.4
241.01157	18.8
242.01508	0.7
246.59229	0.3
250.58276	0.3
273.03815	92.5
274.04153	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1497
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
62.01690	0.3
66.70219	0.3
71.15506	0.7
93.03352	0.8
94.06325	0.3
105.03336	1.0
108.02066	0.5
121.02859	2.3
122.03622	5.2
127.39478	0.3
133.02834	1.6
133.32024	0.3
136.01532	0.7
143.04904	0.7
145.06473	0.4
148.87425	0.3
149.02350	46.2
150.03156	5.2
153.01854	0.5
161.02353	22.4
162.02800	0.9
175.03906	2.8
182.02116	0.9
187.03958	0.4
187.07542	1.4
189.05505	5.5
190.06226	0.9
203.07072	0.9
204.07909	2.0
208.31529	0.3
227.14354	1.0
229.19586	0.7
236.06906	0.4
245.15327	0.9
250.03499	0.3
271.13394	1.3
273.14963	100.0
274.15298	9.3
289.14539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.37598	0.7
59.01248	0.8
62.81921	0.9
98.20538	3.9
109.02811	1.1
113.91198	0.8
114.66414	0.8
125.02379	1.5
205.28996	1.0
223.20587	4.8
225.22194	64.3
226.22583	5.1
230.37210	1.1
231.43257	0.9
253.21782	2.0
271.22787	100.0
272.23160	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.57090	0.2
69.39032	0.4
69.39437	1.5
73.11118	0.2
83.04914	0.3
108.02055	0.2
116.61687	0.2
118.28064	0.2
125.02323	0.4
171.69049	0.2
220.51288	0.2
225.22198	4.9
247.78362	0.2
253.21664	1.8
254.22198	0.3
269.21173	0.7
271.22778	100.0
272.23123	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1916
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03316	0.9
59.01265	1.1
62.50892	0.7
66.38591	0.7
70.11636	4.1
76.62543	0.7
96.95882	0.7
98.19808	0.8
99.18291	0.8
108.02039	1.1
109.02827	1.6
125.02347	4.0
126.54421	0.8
134.72438	0.8
207.17569	1.1
209.19055	59.3
210.19394	3.9
227.20045	1.5
247.24223	0.8
253.18068	45.0
254.18387	4.4
257.01425	0.8
271.02332	0.9
271.19180	100.0
271.22565	4.3
272.19504	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02267	14.6
65.00196	22.4
65.06719	0.9
67.01746	3.1
68.99667	1.4
70.87557	2.9
81.03326	1.8
81.41286	1.1
83.01255	16.4
83.01717	1.7
83.04893	1.1
85.02833	3.1
93.03329	17.3
97.06507	1.0
107.01270	36.9
108.02121	1.7
109.02850	2.0
111.71730	0.9
119.04918	96.0
120.05245	3.9
125.02333	5.6
133.02852	0.9
135.04434	1.1
137.02344	1.4
143.04938	1.5
145.02872	2.2
151.00278	85.9
152.00627	2.0
161.05917	1.2
165.01817	5.5
169.01337	8.8
171.10135	5.5
177.01849	12.7
185.06018	2.2
187.03949	3.6
192.79440	1.0
201.18980	0.9
221.11792	3.1
227.06998	1.6
239.12852	3.7
253.04875	1.3
253.14458	1.4
271.06125	100.0
271.15561	11.1
271.18832	2.0
271.22824	2.9
272.06406	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62907	1.3
59.01240	3.0
61.67896	1.4
63.02270	14.2
63.06391	1.5
65.00195	18.8
67.50289	1.3
71.57754	1.5
71.58221	1.6
74.86761	1.2
83.01264	12.4
93.03333	16.5
107.01271	33.1
108.02103	1.9
109.02857	1.7
119.04916	95.2
120.05260	3.3
125.02342	3.6
145.02888	2.4
151.00270	74.4
152.00650	2.4
165.01826	5.3
169.01361	7.1
177.01917	13.4
187.03870	2.9
209.11635	1.9
253.05064	2.6
271.06110	100.0
271.15607	2.2
271.19128	2.6
271.22791	3.3
272.06476	7.6
294.70724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67158	0.6
55.32649	0.6
57.03324	2.0
59.01250	1.7
59.85004	0.6
62.96281	38.0
71.01263	0.8
71.18890	1.1
83.04892	0.8
97.06478	3.9
99.08022	0.9
105.70425	0.7
113.09600	2.7
114.15002	0.6
115.07513	1.4
123.07944	1.4
125.05962	1.1
125.09623	6.6
127.07547	1.0
138.11850	0.6
141.09105	4.3
143.10675	1.7
151.07501	0.8
153.09114	2.1
154.09929	0.9
169.08592	0.8
171.10182	2.9
186.95573	1.9
197.19081	1.0
199.09802	0.8
200.10460	4.6
205.16016	0.8
207.17542	4.8
212.89906	0.7
223.16953	2.3
225.18579	1.8
225.21988	0.8
233.15358	0.9
241.18123	1.3
251.16470	12.4
269.04532	1.1
269.13315	14.5
269.17578	100.0
269.21045	7.9
269.24826	1.9
270.13541	1.5
270.17950	9.5
270.21002	1.2
275.95886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1759
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
52.87445	0.5
53.38916	0.5
53.62166	0.5
57.03320	1.3
59.01234	1.2
59.83241	0.6
60.20853	0.6
62.96280	27.9
69.98061	0.5
70.86702	0.7
70.87049	1.6
71.01246	1.3
73.24488	0.5
83.01245	1.0
85.02808	0.7
97.06483	3.2
99.08059	0.7
105.03344	0.8
113.09599	2.8
115.07530	2.4
119.04886	1.9
123.08028	1.2
125.05979	0.9
125.09615	6.0
139.11159	0.7
141.09108	3.8
143.10707	0.9
153.09113	2.2
167.03477	0.8
171.10170	2.1
196.13347	0.6
197.19003	0.8
199.09637	0.8
200.10449	3.2
207.17451	3.9
223.16971	2.5
225.18567	2.1
225.22144	0.7
233.15456	0.9
251.16505	10.3
252.16826	1.1
269.13367	11.1
269.17575	100.0
269.20993	6.5
269.24911	2.5
270.13449	1.0
270.17920	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55174	0.7
57.03324	3.0
58.05179	0.7
59.01252	100.0
60.01574	1.0
62.14869	0.7
70.92123	1.4
80.46799	0.6
99.04402	4.7
101.14081	0.8
118.04380	0.8
126.78075	0.7
163.11172	1.0
165.12784	7.3
179.14680	0.7
191.10762	1.1
207.13841	16.4
208.14261	1.4
209.11760	18.8
210.12044	1.1
225.14955	6.7
251.12830	7.3
269.13953	47.6
269.21249	6.9
269.24808	1.6
270.14288	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	11.6
57.03320	8.8
58.00447	2.0
59.01251	49.1
59.09039	1.9
69.03320	1.9
69.41286	1.5
70.74650	5.2
70.75006	2.1
71.01253	100.0
71.04891	2.0
72.99172	6.0
73.02819	30.7
75.00702	1.9
83.01261	14.9
85.02821	52.3
87.00752	7.0
89.02322	2.7
95.01253	7.4
96.95889	2.0
97.02795	2.3
99.00776	13.5
101.02321	66.6
109.02083	1.4
109.02844	9.9
111.00716	1.8
113.02331	33.6
121.02831	1.8
125.02319	1.9
129.01811	2.3
140.42377	2.0
145.02747	2.3
146.03632	4.5
147.04419	14.4
159.02859	7.0
159.04414	5.1
161.04454	18.5
164.41891	1.6
190.77133	1.7
208.43158	2.1
240.27481	1.8
269.04404	2.8
269.07980	5.2
269.10504	4.7
269.14063	1.5
269.21207	19.9
269.24741	5.3
270.21497	2.2
288.23865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05663	0.6
56.30021	0.5
57.03323	4.0
59.01250	100.0
60.01581	1.1
60.06092	0.5
62.18225	0.5
65.69409	0.5
67.51083	0.5
71.01257	1.2
73.02831	1.1
83.04897	1.9
83.36913	0.5
87.00793	0.7
91.21127	0.5
91.81821	0.5
95.04934	0.5
96.17026	0.6
97.06477	1.8
99.04397	11.2
109.02837	1.5
109.06481	1.2
110.97633	0.6
113.02286	0.6
117.03347	1.1
125.09577	0.6
149.02287	0.6
159.04393	0.9
165.12779	7.4
173.04626	0.6
179.24776	0.5
181.12305	0.8
189.12814	1.0
191.10870	0.7
199.13287	1.0
207.13843	14.5
208.14185	0.9
209.11763	37.3
210.12117	2.6
225.14897	22.5
226.15347	1.0
233.12132	0.6
241.05139	1.5
251.12874	5.9
260.80923	0.6
269.04559	4.6
269.08096	2.0
269.13947	43.5
269.17444	3.1
269.21240	9.3
269.24780	2.6
270.14258	2.9
270.21460	1.0
283.90842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34539	1.2
55.01757	11.9
57.03332	8.1
58.00467	3.9
59.01251	49.0
67.70807	1.1
69.03342	1.3
69.33872	11.7
71.01252	100.0
72.01613	1.7
72.99181	5.2
73.02818	41.6
82.96943	1.2
83.01256	18.7
85.02824	58.0
85.99976	1.7
87.00762	3.7
89.02345	4.6
95.01274	7.0
97.02859	2.2
99.00753	15.6
101.02320	81.3
102.02659	2.0
109.02842	6.1
113.01156	1.6
113.02325	38.9
114.02660	1.1
119.04987	1.5
125.02331	1.4
129.01817	3.3
143.03377	2.5
145.02933	1.6
146.03587	2.2
147.04427	11.1
154.05356	1.3
159.02905	5.8
159.04430	3.7
161.04482	18.6
188.38982	1.1
269.08121	3.6
269.10370	3.4
269.21237	7.1
269.24902	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50505	1.6
55.01757	12.5
57.03320	8.3
59.01254	54.3
67.59719	1.6
69.47228	1.8
69.47545	17.3
71.01254	100.0
72.99188	5.3
73.02821	44.5
75.00741	2.6
83.01257	24.3
85.02825	63.9
87.00778	1.8
87.75248	1.9
89.02322	3.5
89.10345	1.9
95.01264	7.7
97.02824	3.9
99.00783	16.1
101.02325	82.5
111.00781	2.8
113.02340	41.3
116.31169	1.8
129.01852	2.7
143.03452	2.5
154.55792	1.9
159.02919	7.5
161.04466	24.7
242.18364	2.1
269.10379	3.0
269.21252	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	2',5'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
56.30982	0.2
59.01270	1.2
65.03835	0.3
67.06077	0.2
71.01231	0.3
71.58076	0.3
71.58431	0.4
73.02824	0.3
81.03326	0.7
91.01756	0.4
91.05424	0.6
93.03339	2.2
95.04907	0.5
101.03836	0.4
103.05404	0.5
105.03351	0.4
105.60775	0.3
108.02061	3.1
109.02838	100.0
110.03181	2.7
115.05437	1.1
117.03334	0.4
119.04932	3.7
121.02837	3.1
123.04398	3.4
124.59747	0.3
125.40148	0.3
129.03354	4.9
130.04135	1.0
131.04930	2.8
133.02844	0.5
135.04411	3.8
135.14571	0.2
141.03339	0.4
145.02876	1.4
146.03641	4.0
147.04422	35.6
148.04765	1.6
158.03644	5.0
159.04425	80.4
160.04756	4.1
161.02303	0.3
161.06009	1.5
195.08133	0.3
197.06038	0.7
199.07574	0.6
206.07327	0.4
207.13737	0.3
211.03851	0.2
211.07556	0.9
213.09087	0.6
222.06830	0.4
223.07603	0.6
225.05545	0.5
226.06355	0.3
233.05998	0.3
234.06854	0.4
237.05508	0.6
239.07037	0.8
241.04985	1.0
241.08693	0.5
250.06218	0.6
251.07008	2.1
252.07870	4.0
253.05093	0.6
253.08040	0.4
254.05782	1.1
267.06683	1.2
268.07367	2.3
269.08170	38.3
269.21210	2.4
269.24734	0.8
270.08530	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Bolusanthin III
Peak:m/z	Relative Intensity
55.01758	0.8
57.03326	1.2
59.01250	5.4
65.03842	0.4
67.97250	0.3
71.01254	11.3
71.35262	0.5
72.99180	0.5
73.02817	3.6
81.03341	0.4
83.01264	2.2
85.02825	5.2
87.00719	0.4
91.05414	0.9
93.03358	1.0
95.01270	0.9
95.04904	0.5
95.23409	0.3
99.00771	1.5
99.04446	0.3
101.02327	8.3
101.03863	1.1
105.03330	0.6
107.04872	0.4
108.02058	1.8
109.02835	51.8
110.03181	1.3
113.02327	4.2
115.05415	0.7
117.03361	0.9
118.55428	0.3
119.04915	6.3
121.02853	6.1
122.03634	1.1
123.04415	3.9
125.02338	0.6
129.03357	6.4
130.04169	1.7
131.04938	1.2
133.02847	0.8
135.04427	1.3
137.02266	0.3
145.01683	0.5
145.02855	14.1
146.03641	25.4
147.04420	100.0
148.04745	4.5
154.02634	0.4
158.03624	2.2
159.04424	37.0
160.04761	2.1
161.02347	0.8
161.04466	2.0
161.06020	1.1
166.39665	0.3
181.06409	0.3
197.06007	0.4
199.07652	0.6
213.09244	0.5
223.07680	0.4
225.05531	0.5
237.05605	0.5
241.08687	0.7
250.06372	0.5
251.07098	2.4
252.07863	2.0
254.05881	1.0
267.06631	0.6
268.07336	0.9
269.08170	41.9
269.21268	2.4
269.24493	0.6
270.08521	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.91530	0.3
53.30621	0.3
58.88239	0.3
59.01249	1.5
63.02269	3.8
65.00195	3.6
71.01237	0.3
71.58823	0.4
83.01274	1.4
93.03338	0.7
94.01649	0.3
105.03345	0.7
107.01273	5.2
108.41630	0.3
109.02834	6.7
117.03350	19.4
118.03732	0.6
119.04882	0.4
121.02871	1.4
131.04936	0.4
132.56044	0.3
135.04428	1.0
147.04422	2.6
149.02348	6.5
151.00291	6.8
158.03662	0.6
159.04431	9.1
160.04761	0.6
161.02341	1.3
168.94522	0.3
169.01410	0.3
169.06487	0.6
180.05728	0.4
181.06598	1.5
183.04466	1.8
193.29475	0.3
196.05101	0.4
197.05960	1.0
199.03912	0.4
201.05432	1.9
224.04623	0.4
225.05458	3.1
226.05991	0.5
227.03481	1.6
227.05434	0.4
241.04968	0.4
269.04556	100.0
269.21222	2.0
269.24811	0.8
270.04907	7.9
270.08032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
59.01247	4.8
60.04623	1.7
63.98670	1.6
64.88915	1.4
66.40517	1.5
69.03327	6.4
69.56657	6.0
69.57084	5.4
71.01243	5.0
71.04899	9.6
72.39115	1.6
73.02814	2.0
81.03332	2.2
85.02837	2.0
87.33169	1.6
89.02330	2.5
96.50433	1.6
101.02322	3.7
110.01358	1.6
113.02286	1.7
174.40704	1.5
180.26982	1.7
221.18977	3.1
223.20621	100.0
224.20924	6.9
267.06949	2.0
267.19644	47.2
268.19769	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.0
57.03323	3.0
58.00466	4.8
59.01254	72.6
61.26538	1.9
71.01256	100.0
71.07639	1.6
72.01610	1.8
72.99176	7.0
73.02824	30.0
75.00757	2.4
83.01244	13.6
85.02825	42.3
87.00758	4.2
87.04348	2.6
89.02318	48.1
91.92825	1.8
94.09652	1.8
95.01268	8.4
97.02798	2.2
99.00771	11.2
101.02320	91.6
105.05449	16.8
113.02332	43.1
119.03389	22.1
129.01888	2.5
143.03398	6.3
149.04437	1.9
159.02931	7.3
161.04472	36.3
162.04776	3.1
179.05536	3.0
205.03470	3.0
267.07495	3.8
267.10812	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48121	4.1
55.01754	11.2
56.54366	4.2
59.01252	99.2
65.69720	3.4
68.77724	3.7
71.01255	100.0
71.05575	11.2
72.99203	10.1
73.02808	20.9
75.00762	12.2
83.01269	14.5
85.02825	41.0
86.00964	4.1
87.00744	32.0
89.02321	41.6
95.01281	15.9
99.00800	5.4
101.02325	71.4
105.01807	6.3
105.05470	6.1
109.24691	3.7
113.02320	41.7
119.03377	12.2
159.02982	5.2
161.04463	27.1
237.06128	5.9
248.46454	3.7
267.07214	42.0
267.10776	25.7
268.07507	5.1
272.54642	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2172
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01240	0.6
64.06668	0.3
70.43920	0.3
77.81647	0.3
79.02113	0.3
96.95889	6.4
98.20595	0.5
127.79206	0.3
150.11005	0.3
154.40182	0.4
161.06068	0.3
229.27777	0.3
235.28946	0.3
247.20934	0.4
265.15134	3.9
265.21716	100.0
266.22064	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
57.03325	12.5
59.01257	3.0
67.01746	0.4
69.03326	0.7
70.64672	1.3
70.96279	0.4
71.01264	1.1
71.32301	0.3
73.02808	0.5
74.16057	0.4
79.05383	0.5
80.02556	0.8
81.03316	1.7
83.04890	1.5
85.02799	0.4
93.03337	0.9
95.01229	0.4
95.04900	50.7
96.05231	1.6
97.02822	0.5
97.06468	6.1
101.02315	0.8
107.04887	0.5
109.06465	10.3
109.44911	0.4
121.02885	0.7
121.06447	1.0
123.08024	2.0
125.05901	0.5
125.09612	16.6
126.09924	0.7
135.04407	0.4
135.08054	0.7
149.09613	0.4
163.11198	6.9
169.08607	0.5
179.14342	8.5
183.10138	0.5
185.11755	3.6
186.12022	0.5
203.14371	1.2
205.12201	1.1
207.10223	8.0
221.15382	0.9
223.13342	100.0
224.13684	6.3
237.14949	0.7
244.13574	0.3
247.13420	1.9
265.05038	0.7
265.14435	34.8
266.14755	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Grangolide
Peak:m/z	Relative Intensity
50.71132	1.1
57.03303	2.6
59.01237	1.6
65.03835	9.6
66.70219	1.2
67.01755	1.2
69.03310	1.7
69.87353	6.8
71.01252	8.8
71.04888	1.8
81.03331	33.2
83.04900	32.2
85.02790	1.7
93.03336	20.6
95.04900	8.5
97.02853	1.5
97.06449	3.1
106.04153	1.4
108.02051	3.2
109.02848	9.2
109.06461	5.1
110.03622	6.4
111.04406	69.6
112.04744	1.5
121.02846	2.9
122.03535	1.2
123.04423	2.9
125.09602	4.9
134.03613	2.0
137.05907	1.3
139.11203	9.1
155.10703	5.5
170.05806	1.2
171.10185	5.0
177.12753	7.9
181.12189	1.4
183.10173	3.5
191.12460	1.1
191.14345	2.1
193.12163	1.2
193.15910	13.9
194.16249	1.2
203.14336	2.9
209.11650	2.7
219.13846	5.9
221.11816	17.4
223.13354	1.5
229.60271	1.2
237.14934	96.3
238.15254	6.9
247.13379	20.9
248.13560	1.4
265.14438	100.0
266.14777	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	7.4
58.00479	3.8
59.01252	86.6
69.90070	17.6
71.01258	50.8
72.68125	3.3
72.99209	3.9
79.00955	3.4
83.01232	3.6
85.02836	50.8
86.03168	4.1
86.78858	3.0
89.02328	39.6
95.01250	4.0
96.19743	3.8
101.02337	28.9
103.03899	57.6
113.02325	11.3
119.03375	19.6
208.68622	3.3
258.29544	3.4
265.09326	100.0
266.09689	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76048	0.9
57.03318	2.2
58.00464	1.8
58.03708	1.1
59.01255	43.3
70.01012	3.1
70.01398	2.5
71.01257	19.0
72.99203	1.7
73.02832	1.1
73.51672	1.0
81.77486	1.0
85.02828	22.3
87.00769	1.1
89.02322	21.6
89.65746	1.1
101.02325	15.4
103.03896	32.7
113.02351	8.8
117.05455	1.8
119.03385	10.7
136.03911	1.2
137.70258	1.0
143.03329	1.1
145.04965	1.1
161.04417	2.5
179.03473	1.1
179.05577	2.2
265.09299	100.0
266.09595	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60845	0.4
59.01247	2.9
71.01239	0.8
71.57594	0.8
80.33331	0.4
83.04880	0.7
85.02859	0.6
103.45883	0.4
113.02335	0.6
149.03738	0.4
183.22758	0.5
219.21198	1.0
229.76924	0.5
245.19057	0.6
261.18634	0.8
263.20151	100.0
264.20493	10.3
264.67834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
54.08711	0.9
58.92312	0.8
59.01240	1.3
69.53320	5.8
69.53739	2.2
71.01231	1.0
84.46870	0.9
98.20591	0.8
103.49899	1.1
122.20053	1.0
177.84911	1.0
188.14819	0.9
194.29602	0.9
196.39752	1.0
219.21211	1.0
235.62459	0.9
250.41725	0.9
257.35345	1.0
263.20157	100.0
264.20483	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.8
57.61903	2.0
59.01247	4.3
61.75879	2.0
69.41393	19.1
71.01275	4.8
71.04900	2.3
75.46067	2.0
80.78357	1.9
83.04906	7.0
87.96402	1.8
88.80537	1.8
93.06944	2.1
95.04890	3.3
97.02846	7.9
98.20555	2.1
105.06979	3.6
107.04958	3.7
108.05703	6.7
109.02840	8.9
109.06493	4.0
110.73602	1.9
111.04427	15.2
111.08032	3.7
113.05976	11.3
117.06951	3.0
119.08560	7.3
121.06467	4.4
122.03600	11.2
123.08044	10.5
125.05986	13.8
135.08043	3.2
136.05197	20.6
137.05991	8.5
138.06750	18.9
139.07558	37.4
145.06476	3.5
148.05217	8.9
149.06023	4.7
151.07561	67.7
152.04706	6.2
152.08347	35.2
153.09169	11.3
159.11754	4.2
161.09637	8.2
163.07523	12.4
167.07074	5.5
171.08051	8.8
185.09653	7.6
186.10440	18.7
188.08421	3.7
189.09169	7.7
189.12810	8.0
201.12805	61.8
202.13094	5.5
203.10727	28.3
204.11496	70.6
205.11801	2.3
219.13850	100.0
220.14192	7.1
236.10503	2.5
245.11792	3.8
263.09064	2.4
263.12900	12.2
270.17841	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03050	0.6
57.03326	10.6
59.01255	0.7
69.35915	0.4
71.58147	0.4
79.05436	0.5
81.03336	0.5
83.04890	1.7
91.05406	0.7
93.03329	0.4
97.06466	1.4
102.04630	1.2
107.04891	1.0
109.06469	0.6
117.06979	2.8
119.04910	0.6
119.08560	2.4
121.06475	0.5
123.08044	5.2
130.04167	1.0
131.08574	0.7
133.06487	2.4
145.06506	4.9
147.02742	0.4
147.11678	1.6
149.09622	0.6
150.82939	0.4
157.06465	1.4
158.07239	0.6
159.08113	0.4
159.11743	2.1
163.07494	1.1
170.07349	0.7
171.08087	6.5
171.11578	0.5
173.09633	14.9
174.10207	1.3
175.11174	0.5
183.08072	1.5
183.11713	0.5
184.08876	0.6
185.09648	5.9
186.10399	6.9
187.11093	1.1
189.12773	100.0
190.13109	6.2
199.11244	4.6
201.12788	38.3
202.13094	2.6
203.07074	1.4
219.13928	0.8
233.11859	0.5
263.09775	0.5
263.12878	8.8
264.13257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27080	4.1
59.01250	100.0
69.44833	39.8
85.02810	4.7
93.03344	6.1
113.02315	12.6
113.77585	5.0
135.60577	4.3
137.02351	6.5
204.11501	5.9
249.31665	4.9
263.12860	10.4
269.52954	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.01263	7.2
71.58072	4.4
71.58416	5.1
73.50481	3.8
74.92641	4.0
84.11095	4.3
97.06506	5.5
101.02296	6.3
121.30866	3.8
121.77319	4.6
161.09753	4.8
162.86665	4.7
187.65675	4.1
189.12799	28.5
201.12886	12.3
223.04477	5.1
263.12842	15.7
263.16614	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0925
Annotation	Fuscinarin
Peak:m/z	Relative Intensity
50.36947	0.7
53.71386	0.7
53.89207	0.8
59.01251	1.8
60.94673	0.8
65.03843	0.9
67.01760	0.9
67.19088	0.8
68.62498	0.7
69.03312	0.9
69.41786	5.6
71.01251	1.1
73.96472	0.7
91.14703	0.8
93.03322	1.6
95.04900	1.9
105.03318	1.7
107.04909	1.5
108.00713	0.6
108.02058	1.2
109.02836	1.3
119.04958	1.1
121.02838	11.6
122.03635	24.6
123.03873	0.9
123.08073	1.5
133.06451	1.4
135.04437	0.9
136.01532	0.7
137.02365	6.7
143.04974	0.9
145.06502	0.9
149.02348	24.3
149.09604	0.8
150.03128	25.9
151.03793	1.4
155.87393	0.8
157.06564	1.1
158.07251	1.1
160.84430	0.8
161.02332	3.1
163.03917	2.9
171.08014	0.9
173.09648	2.7
175.03531	0.8
175.11243	3.7
182.02184	4.4
188.69775	0.7
191.07037	0.9
191.10701	9.1
195.30167	0.7
201.09082	1.1
203.07083	0.8
217.08638	4.8
219.10216	100.0
220.10588	7.3
235.09752	7.8
235.13350	1.4
245.08133	2.9
245.11905	1.7
247.91959	0.6
263.09238	81.8
263.12769	5.7
264.09561	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	9.2
59.01254	100.0
61.28934	3.4
61.30663	3.8
69.03312	13.7
71.01249	26.6
71.58112	5.1
75.00734	3.9
83.01254	20.2
83.92934	4.0
85.02811	26.1
87.00734	9.6
93.03342	41.2
95.01261	11.5
97.02829	28.7
101.02268	4.4
108.92402	3.7
110.22375	4.1
111.00751	5.9
113.02335	63.8
115.03869	4.9
121.02791	5.1
125.02328	6.0
133.02858	4.0
133.06476	4.1
137.02353	53.5
143.03400	41.3
149.02345	5.6
161.05974	10.7
171.04420	4.0
186.89677	4.6
187.03847	5.8
245.11809	5.4
263.05554	12.3
263.12912	15.7
263.16629	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19595	6.0
56.18613	6.7
58.56334	6.0
69.03324	7.7
69.99599	33.8
77.63878	7.0
85.02831	79.5
96.04431	100.0
97.02827	15.5
111.04403	6.5
114.40987	6.7
129.01822	15.1
140.03433	11.0
150.69797	7.0
158.04475	10.8
240.10297	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03002	0.9
58.02851	2.4
59.01262	5.1
70.02856	10.7
71.01278	1.5
71.10004	2.5
72.04414	5.1
74.02348	100.0
84.04424	1.5
98.02357	24.2
98.02963	1.9
116.03427	52.9
125.09618	1.6
126.57395	1.0
128.03448	7.4
131.03699	2.8
131.38733	0.9
132.04457	33.0
144.04460	6.4
157.07687	1.7
173.07047	1.6
175.08687	4.1
201.06641	12.2
219.07713	4.7
261.08798	20.8
261.22098	1.4
262.09204	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01757	7.3
57.03323	7.6
58.00472	3.0
59.01256	58.3
66.92613	2.2
69.47388	18.7
71.01258	100.0
72.01601	3.7
72.99197	8.2
73.02828	37.7
74.02351	6.1
77.82555	2.7
83.01263	24.0
85.02827	49.6
85.99969	2.5
87.00752	4.7
88.23396	2.5
89.02337	4.8
95.01279	7.0
98.02360	3.1
99.00768	17.2
101.02330	83.2
113.02336	38.7
116.03423	3.2
119.04833	3.3
125.09608	4.1
133.06819	4.2
140.60393	2.8
159.02904	6.9
161.02429	2.7
161.04482	26.4
173.05954	2.7
175.06326	2.9
187.09679	2.4
188.46382	2.6
191.05531	2.9
201.11284	9.2
261.00534	2.4
261.07770	4.3
261.11060	3.2
261.13452	36.5
261.22089	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96134	5.7
69.20733	7.0
71.58888	6.7
76.81609	6.2
79.41560	6.1
83.04888	7.0
87.40524	6.0
93.03351	15.5
98.02343	11.2
123.08109	13.2
130.05049	9.7
133.25372	6.6
135.04405	9.4
137.85120	6.5
162.83156	6.4
171.54669	6.4
176.04160	6.8
209.11792	100.0
210.12192	10.5
227.12924	12.6
259.02548	9.1
259.06287	8.6
259.19113	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.2
62.96278	0.2
71.01249	0.5
71.26517	0.3
73.02817	0.3
78.53533	0.1
78.95776	100.0
85.02816	0.2
96.96841	89.8
101.02314	0.7
138.97913	5.1
149.41139	0.2
150.97928	0.3
168.99008	1.7
171.00510	0.2
199.00034	1.8
208.98090	0.1
213.04955	0.2
223.00003	0.2
240.91588	0.2
241.01151	2.1
258.92612	0.3
259.02228	11.6
260.02609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
59.01233	0.3
62.96252	0.4
71.01263	0.6
71.27374	0.4
74.02354	0.3
75.28336	0.2
78.95777	100.0
87.05498	0.2
91.95705	0.2
96.96841	76.8
98.75098	0.2
101.02314	0.3
114.52586	0.2
127.24788	0.2
138.92268	0.2
138.97919	3.9
150.97887	0.3
168.98967	1.4
171.00531	0.3
199.00032	1.2
213.05003	0.2
240.91579	0.3
241.01080	1.2
241.16850	0.2
258.92709	0.2
259.02234	8.4
260.02594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21819	2.0
57.03312	7.7
61.27306	1.8
62.80005	1.9
67.26469	1.9
69.64051	13.9
69.82375	2.2
73.88091	1.7
79.74918	1.8
80.79619	1.9
83.04877	4.2
85.02798	15.1
88.32259	2.4
98.19796	3.7
105.82980	2.0
109.02838	2.6
111.04421	2.2
116.49410	1.8
121.25587	1.9
125.09606	9.4
127.11178	13.2
135.04358	2.4
137.09541	2.2
139.11186	1.9
139.73488	1.6
141.09071	3.3
155.10699	5.2
159.90067	2.0
161.02377	3.4
165.09058	2.5
171.10187	68.1
177.12761	7.1
185.11823	2.2
195.10243	2.9
201.11258	70.1
202.11610	5.2
203.10692	13.2
213.11240	23.6
221.11787	43.4
222.12202	3.0
239.12857	100.0
240.13037	9.2
240.74904	2.1
257.13889	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1918
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
57.66365	0.3
71.15735	0.5
71.16054	0.4
72.04436	0.6
74.02346	100.0
75.02692	1.2
77.01641	0.3
84.04411	0.7
115.07547	0.3
148.34477	0.3
153.73218	0.3
155.10390	0.2
156.44427	0.3
157.72379	0.3
181.95845	0.3
210.18510	0.4
212.20163	4.3
219.84425	0.7
256.19193	31.8
256.23499	15.3
257.17181	0.4
257.19620	2.7
257.23932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24854	1.3
55.01762	2.7
59.01233	3.1
67.01748	2.8
69.03315	2.1
69.43764	2.4
69.44093	12.7
72.45971	1.4
81.03350	2.2
83.01257	55.6
83.04905	9.8
94.62018	1.4
97.06483	1.6
125.09599	5.1
137.09676	2.0
151.11292	1.8
163.11226	2.4
165.12781	3.1
167.14314	2.6
169.12216	2.7
171.08749	2.7
171.10190	39.9
172.10486	2.4
175.11185	4.7
183.13864	7.6
193.12279	64.6
194.12714	3.9
195.87909	1.3
211.13339	100.0
212.13765	6.7
237.11263	2.5
255.12389	22.0
255.23276	58.6
256.12558	2.9
256.23618	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01245	1.3
62.46592	0.4
67.01762	0.8
69.03319	0.6
69.37039	3.4
69.37440	0.8
71.04886	0.6
73.02817	1.5
80.02506	0.5
81.03329	0.9
82.70093	0.4
83.01259	14.2
83.04896	4.7
85.02837	0.7
87.01917	0.4
87.04399	1.3
95.04961	0.6
97.06456	0.5
125.09618	1.9
135.04466	0.4
137.09563	0.6
149.13239	0.4
151.11218	0.5
163.11046	0.5
164.15031	0.5
165.12744	0.9
167.08574	1.8
167.10686	2.3
167.14301	1.8
171.08743	0.9
171.10184	15.3
172.10521	1.5
175.11270	1.1
183.13846	1.2
185.11650	0.6
193.12280	15.2
194.12666	1.0
211.07730	1.0
211.13339	22.7
212.13614	1.3
237.11331	0.8
255.03127	0.9
255.06393	2.1
255.10129	0.7
255.12372	9.6
255.16000	4.9
255.23273	100.0
256.12750	0.9
256.23630	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2172
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
60.07428	15.5
61.98717	18.6
67.26813	17.1
70.00664	80.7
101.02343	16.8
108.28444	14.1
115.12338	16.4
120.12335	17.2
253.21722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1139
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
57.03305	0.7
59.01247	1.0
65.01328	0.7
65.03803	0.5
67.01775	1.0
68.53711	0.6
71.01247	0.8
71.58842	1.0
71.64931	0.6
71.95970	0.5
83.04909	0.7
85.02827	2.0
85.03310	0.5
91.01772	1.7
92.04916	0.5
95.04903	1.7
108.04424	1.4
119.04929	7.2
120.04475	2.9
122.03638	1.4
122.05989	1.3
125.09603	1.3
132.04445	1.1
134.06026	8.0
135.00775	1.1
145.05238	2.2
146.05927	0.7
153.01846	2.6
159.05565	3.9
160.06310	1.3
173.04643	0.8
182.06039	3.3
196.07639	2.0
197.08479	1.1
209.11766	1.2
211.13326	1.3
212.10765	10.9
213.11115	1.2
219.10216	7.2
225.06648	2.4
226.07452	6.2
228.10213	1.0
233.43492	0.6
237.11319	3.6
239.08226	8.3
240.09003	14.7
241.09328	1.0
255.02870	1.4
255.06778	3.5
255.11386	96.4
255.15945	5.4
255.23277	100.0
256.11713	7.8
256.23633	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01085	2.1
57.03328	5.7
59.01243	20.2
67.01746	6.1
69.03318	8.7
69.16624	1.6
70.93520	1.8
71.01280	10.0
71.04900	7.1
71.58455	1.8
73.01127	1.5
73.02790	1.7
80.02525	3.0
81.03329	84.0
82.03648	2.7
82.40891	1.7
83.01252	2.2
83.04897	55.0
84.02052	6.5
85.02834	3.8
87.02603	1.6
89.02311	6.2
89.53996	1.9
95.01253	2.1
95.04898	8.1
97.02833	9.6
97.06443	8.9
98.03622	5.3
99.04399	100.0
100.04745	3.8
101.02340	9.4
103.60736	1.7
109.06481	7.2
111.04417	14.4
113.02342	2.8
123.08067	3.3
127.11165	2.7
153.09093	3.7
155.10661	7.9
162.20599	2.0
169.12140	2.2
171.10199	35.2
190.03078	1.9
191.14343	8.9
193.12285	49.4
194.12575	3.6
207.13843	10.4
209.11775	8.9
210.33653	1.8
211.13335	3.8
225.14902	2.4
235.13359	70.5
236.13654	4.9
253.05000	3.3
253.09128	5.8
253.14418	59.6
253.18324	3.1
254.14807	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22127	1.7
52.97948	1.6
55.01746	1.7
57.03315	3.8
59.01253	19.4
59.82010	1.8
67.01749	4.8
69.03337	8.8
71.01243	6.0
71.04887	7.3
80.02518	2.4
81.03330	92.0
83.04894	60.6
84.02035	8.8
89.02335	4.2
90.05195	1.7
95.01281	2.3
95.04896	10.6
97.02819	15.6
97.06464	8.3
98.03635	4.7
98.19741	4.2
99.04395	100.0
100.04747	4.0
101.02312	6.0
109.06459	5.7
111.04406	13.6
113.02322	3.2
123.08038	4.2
125.09553	3.6
132.78296	1.8
136.79018	1.7
137.09512	2.2
153.09090	4.2
155.10646	7.4
156.71008	1.6
165.12804	2.0
171.10185	30.0
175.11119	3.2
182.70317	1.8
191.14328	16.7
193.12263	51.8
194.12607	3.4
197.12224	1.9
207.13855	8.2
209.11693	11.2
209.15314	4.5
211.13283	3.2
217.12300	1.9
235.13361	95.2
236.13763	9.6
244.41106	1.7
250.44522	2.1
253.09206	5.4
253.14401	64.2
253.21773	2.4
254.14745	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Russulanorol
Peak:m/z	Relative Intensity
55.01735	2.6
57.03326	4.1
59.01246	13.2
67.01761	5.9
69.03326	7.4
71.01246	5.4
71.04906	10.1
73.02831	1.9
80.02547	3.0
81.03332	86.3
82.03680	2.8
83.04900	64.1
84.02032	10.3
84.05241	2.1
85.27898	1.6
89.02332	3.4
95.01232	1.7
95.04888	10.2
97.02825	12.0
97.06447	8.7
98.03608	4.7
99.04398	95.0
100.04771	2.4
101.02329	2.8
109.06461	7.7
111.04409	11.5
112.03993	1.8
123.08060	2.5
125.09609	2.7
127.11192	1.5
137.09624	2.3
153.09036	2.0
155.10727	6.2
163.11247	2.0
165.12744	2.3
169.12250	2.5
171.10193	32.2
175.11209	1.9
191.14342	17.4
193.12274	49.2
194.12604	3.9
207.13850	8.7
209.00557	1.8
209.11803	7.6
209.15402	3.6
211.13496	1.6
211.83704	1.7
217.12242	2.7
225.15118	1.9
231.88379	1.7
235.13361	100.0
236.13702	6.7
253.14444	67.5
254.14771	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01756	3.4
56.37974	1.1
57.03325	3.1
58.00461	4.2
59.01254	100.0
65.96186	1.2
66.83376	1.2
69.26591	13.2
71.01257	69.7
72.99187	4.1
73.02818	10.0
75.00739	1.2
83.01279	6.8
85.02836	16.3
87.00758	9.9
89.02322	60.7
91.03873	1.8
92.72846	1.2
95.01264	3.6
97.02854	3.5
97.72037	1.1
99.00746	2.8
101.02329	71.5
102.02660	1.8
113.02335	30.1
119.03387	16.9
125.02355	1.9
131.03368	2.8
138.83089	1.1
143.03423	6.7
149.04488	1.4
161.04462	26.3
179.05527	8.6
197.52502	1.1
253.09274	60.9
254.09563	4.3
262.33789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.7
57.03325	5.9
59.01251	14.2
67.01747	5.7
69.03327	9.0
69.45275	11.9
71.01242	2.8
71.04881	7.7
76.65457	1.2
80.02555	3.6
81.03331	94.0
82.03659	1.7
83.01231	1.2
83.04899	66.5
84.02039	9.1
89.02322	2.7
95.01275	2.4
95.04886	12.7
96.02071	1.5
97.02827	16.7
97.06473	8.3
98.03608	5.1
99.04398	100.0
100.04721	2.6
101.02303	2.3
106.04127	1.6
107.04907	1.6
108.02018	1.6
109.02885	1.2
109.06474	7.5
111.04405	14.5
113.05959	2.7
121.02814	1.3
121.06512	1.4
123.04411	2.0
123.08046	3.4
125.09592	2.9
133.65033	1.1
137.09613	2.0
153.09082	4.9
155.10683	10.0
163.11214	3.5
169.12209	2.1
171.10193	29.0
175.11209	3.0
191.14375	14.8
193.12271	50.1
194.12579	3.1
207.13826	7.8
209.11775	4.5
209.15401	2.6
211.13358	2.3
217.12196	3.2
235.13359	86.5
236.13731	7.6
253.14420	53.2
254.14665	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0923
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
50.35802	0.9
55.01749	4.2
57.03322	2.0
58.00460	3.6
59.01251	100.0
71.01257	63.5
71.01662	2.2
72.99184	4.0
73.02826	7.3
83.01257	6.5
85.02818	14.6
87.00755	7.0
89.02319	55.3
91.03886	2.5
91.22796	0.9
95.01260	5.1
96.86448	1.0
97.02827	2.1
99.00765	1.7
101.02326	55.9
102.02631	1.1
106.64131	1.1
113.02332	26.8
116.29087	1.0
119.03391	16.4
121.67193	1.0
125.02317	2.1
126.33678	0.9
131.03365	3.1
143.03421	4.0
148.51848	1.0
149.04530	1.2
161.04460	17.9
179.05571	6.0
212.62718	1.0
229.38994	1.3
253.09254	45.0
254.09550	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55473	1.0
54.50673	0.8
55.01748	4.1
57.03316	1.9
58.00455	4.5
59.01252	100.0
60.01574	1.2
64.60057	0.9
69.27457	11.5
71.01254	71.4
72.99172	4.7
73.02814	9.1
75.00735	1.1
83.01262	7.0
85.02826	16.1
87.00767	8.2
89.02316	66.6
90.02619	1.0
91.03883	2.2
95.01258	4.5
97.02822	1.8
99.00760	1.4
101.02322	74.0
102.02672	1.8
113.02337	28.8
119.02565	1.9
119.03387	18.8
125.02328	1.6
131.03383	3.0
139.00316	1.0
143.03430	7.0
149.04440	2.9
161.04469	25.2
161.93690	1.0
179.05544	8.0
240.50140	0.9
253.09241	62.0
253.21712	2.3
254.09557	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.21439	4.3
56.57037	3.2
57.03328	3.4
58.00468	5.9
59.01252	100.0
69.03316	4.3
70.63663	9.5
71.01248	66.9
72.01575	4.9
72.99192	5.7
73.02824	10.7
83.01230	11.3
85.02818	17.2
87.00750	12.1
89.02319	63.7
95.01290	4.9
99.00784	4.9
101.02324	68.2
113.02324	28.0
119.03393	18.2
121.02807	5.6
154.10541	3.7
161.04456	25.3
171.10301	4.3
179.05556	6.9
181.12610	3.8
199.09769	4.6
235.13557	5.4
235.17097	4.1
253.05130	5.7
253.09216	60.1
253.14429	6.3
253.18015	27.1
253.21727	9.9
254.18373	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.57462	0.7
59.01233	2.5
71.01254	1.0
80.98110	0.6
83.04884	0.7
89.02280	0.8
94.24258	0.7
101.02342	1.2
150.12691	0.7
229.17493	0.7
233.19054	1.2
251.20123	100.0
252.20464	6.9
256.21085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0505
Annotation	Chrysin
Peak:m/z	Relative Intensity
59.01253	1.0
61.05838	0.2
63.02269	10.1
65.00189	3.6
65.03831	1.7
69.87733	1.4
71.01244	0.7
71.21059	0.2
72.90263	0.2
74.84842	0.2
79.01739	0.2
83.01270	0.4
83.04900	0.4
89.00207	0.7
89.02315	0.7
91.48277	0.2
96.95899	0.2
97.06465	0.3
101.02319	0.6
101.03854	1.0
102.11446	0.2
107.01279	3.4
113.02324	0.3
115.05414	0.4
117.03305	0.2
119.03413	0.2
119.04917	2.2
121.02836	0.4
125.09607	0.9
139.05408	0.7
143.04935	6.7
144.05283	0.5
145.02864	2.8
148.01532	0.3
151.00285	1.3
152.06291	0.2
153.06996	0.3
157.06544	0.2
165.06967	1.5
167.04961	1.0
180.05667	0.9
181.06499	1.5
183.04318	0.4
185.06006	1.2
187.03885	0.4
197.06055	0.2
208.05199	0.3
209.06017	4.3
209.11765	1.9
210.06442	0.3
211.03903	0.9
225.05531	0.7
235.13377	1.8
236.14027	0.2
253.05037	100.0
254.05360	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1651
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
51.35933	0.6
52.77375	0.7
57.03319	1.2
59.01260	3.5
69.84583	4.2
71.01258	2.5
73.02805	1.2
80.14573	0.6
85.02826	2.0
93.85220	0.6
95.04890	0.8
96.95890	2.2
97.06462	2.8
99.08038	7.0
101.02337	2.2
107.04903	2.3
109.53353	0.7
113.02275	0.7
121.02862	0.9
123.08109	1.3
125.09625	9.6
128.21988	0.6
135.30084	0.7
151.11186	0.9
206.99243	0.6
207.17477	4.8
223.16978	8.8
224.17255	1.0
233.15404	6.1
234.15688	0.9
251.16519	100.0
252.16885	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22790	0.7
55.87251	0.8
57.03321	1.4
59.01249	3.9
62.71889	0.9
66.89748	1.1
69.03316	2.2
70.16178	1.0
70.86885	3.5
71.01244	2.9
74.97395	0.8
77.92728	0.9
81.03345	1.0
85.02834	1.3
91.01778	1.7
92.13077	1.1
96.95888	4.5
99.00754	1.3
101.02314	1.7
113.02368	1.2
135.00771	1.4
162.75009	1.0
178.10905	1.0
195.13860	8.8
207.13893	3.2
207.17511	8.7
223.17001	28.3
224.17369	1.9
233.15430	20.6
234.15843	2.4
251.16542	100.0
252.16801	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.165
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03326	1.4
59.01237	0.5
62.91785	0.1
63.73046	0.1
69.03325	0.3
69.25284	0.6
69.25712	0.9
69.40511	0.1
71.01216	0.1
79.05392	0.2
80.02564	0.3
81.03329	0.4
83.04904	0.3
93.03367	0.3
95.04938	0.3
97.06464	1.8
98.19765	0.3
103.20068	0.2
107.04912	4.7
108.05254	0.2
109.06464	0.5
113.09578	0.2
121.06483	0.2
123.08035	1.7
124.08395	0.2
125.05988	0.3
125.09617	9.1
126.09959	0.5
139.11174	0.4
146.34927	0.1
151.11215	0.4
165.12814	0.2
171.10185	0.3
177.12726	0.2
189.16434	0.3
205.15981	0.2
207.17470	2.4
209.11766	0.5
215.14378	0.2
221.49101	0.2
223.16983	0.5
233.11800	0.5
233.15405	1.7
234.15863	0.2
244.42116	0.2
251.16504	100.0
252.16837	10.3
267.83914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	8.6
57.03310	7.4
58.00459	5.8
59.01250	69.8
70.31540	4.7
70.31938	4.4
71.01250	100.0
72.01594	1.8
72.18255	1.7
72.99178	5.8
73.02817	35.2
75.00735	2.4
83.01255	19.1
85.02818	43.5
87.00766	4.8
89.02310	21.5
95.01249	6.3
99.00734	14.2
101.02321	90.3
111.00742	2.2
113.02337	37.2
119.03395	6.6
143.03386	3.8
146.44968	1.8
159.02878	6.2
161.04437	27.3
178.72234	2.2
251.11351	14.6
251.14494	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
59.01244	2.6
67.42300	0.8
69.26874	9.3
71.01253	1.3
71.39626	0.7
98.20505	1.8
102.00787	0.7
106.72537	0.7
138.84009	0.8
152.44904	0.8
187.86920	0.7
194.42555	0.8
203.10686	0.9
204.04214	0.8
205.12245	0.9
205.15933	2.0
231.17519	1.3
247.16954	1.3
249.03102	1.3
249.14711	2.6
249.18585	100.0
250.14485	21.3
250.18765	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.1
69.66749	8.7
75.99062	1.1
81.11526	1.2
109.85297	1.1
112.51639	1.1
127.07558	7.8
133.10130	2.3
138.12114	1.0
151.11197	1.6
167.06819	2.9
169.08498	1.7
177.09148	2.0
179.10553	1.4
181.12265	30.4
182.12666	2.2
197.11836	1.3
197.52171	1.3
199.07362	2.2
201.08868	5.4
203.10448	11.9
205.08376	2.3
205.12050	2.1
207.10074	1.5
215.06789	1.3
217.08411	3.9
219.09923	7.3
221.11499	10.9
223.13107	100.0
224.13451	7.9
233.07935	9.2
235.09500	13.4
237.11046	21.4
241.14198	3.9
249.11052	73.5
249.15091	5.0
250.11432	5.3
250.14470	6.1
265.10550	15.3
266.10831	1.2
267.12125	92.9
268.12430	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03318	1.5
59.01249	14.4
65.03821	1.4
65.37737	1.7
65.85736	1.5
69.03327	42.1
71.04890	2.3
83.04890	5.6
95.04900	5.0
97.06437	2.1
106.04112	2.1
111.08051	1.9
119.04932	2.7
120.89265	1.6
134.07289	3.0
149.13261	2.9
151.11205	2.0
154.53758	1.4
167.10704	2.9
168.12526	1.5
187.14838	5.7
193.12241	8.5
203.14368	1.6
205.12236	9.6
205.15906	17.2
221.15372	21.1
222.15820	3.3
231.13872	33.4
232.14163	3.4
249.14938	100.0
250.14487	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.12939	0.2
60.63437	0.2
70.36118	0.2
78.00759	0.1
123.07117	0.2
144.15144	0.2
175.66743	0.2
180.86044	0.2
184.00076	0.3
184.70526	0.2
205.15929	0.3
220.17000	0.8
231.13846	0.6
235.59520	0.2
247.02637	0.8
247.17007	100.0
248.07982	0.3
248.17346	11.4
253.22116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58415	0.9
59.01252	1.4
60.99179	2.0
67.01764	9.1
69.03301	1.8
69.58527	7.3
71.01247	2.6
71.57503	0.9
72.99181	100.0
73.02798	1.0
73.99510	1.9
81.03321	1.6
83.04875	1.0
84.84974	1.0
85.02833	1.1
87.00747	13.6
93.03336	60.7
94.03653	1.6
98.76283	0.8
99.00732	0.9
109.02844	0.9
111.04410	11.6
119.38857	0.8
129.01823	1.8
155.03394	2.9
170.54077	0.8
173.04471	79.4
174.04790	3.8
175.00507	0.9
184.48849	0.9
191.05632	1.0
199.11081	0.9
221.00888	1.2
222.51993	0.9
247.04581	17.5
248.02005	2.1
248.04996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	24.6
62.31046	0.9
70.02853	16.1
71.57864	1.8
72.00771	5.2
72.04420	4.8
74.02347	100.0
75.02706	1.1
76.79797	0.9
88.38209	0.9
89.07604	0.9
94.32552	0.8
98.02357	22.3
116.03431	30.7
116.04944	34.8
116.05761	2.1
120.92555	0.9
130.06512	4.0
132.82617	0.9
136.58423	0.8
142.06506	7.6
159.09221	5.8
160.26534	0.9
168.47083	1.0
170.79852	0.9
183.09203	1.5
186.05591	1.3
201.10199	4.5
201.11343	4.1
203.08203	84.0
204.08482	5.6
209.11790	8.2
245.09282	57.8
246.09602	5.1
255.08345	1.0
255.68158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02850	26.5
63.63284	0.6
69.53005	5.7
70.02853	15.5
72.00780	5.3
72.04418	4.5
74.02346	100.0
74.63029	0.6
75.02665	1.0
84.66245	0.6
89.93094	0.8
97.58103	0.7
98.01702	1.3
98.02353	26.4
112.05003	0.7
116.02603	1.4
116.03435	26.7
116.04942	40.0
117.05311	2.2
130.06516	5.6
142.06512	8.2
143.06845	0.7
156.08144	1.3
159.09171	7.5
183.09181	1.8
186.05542	1.9
201.10291	7.0
203.08200	74.9
204.08569	5.4
215.52748	0.8
245.09290	46.3
246.09630	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	N-Acetyl-L-tryptophan
Peak:m/z	Relative Intensity
58.02851	27.5
60.95408	1.0
69.36363	2.7
69.36768	10.1
70.02860	17.9
70.22777	1.1
72.00784	4.0
72.04409	2.9
72.96988	1.1
74.02346	100.0
78.95799	1.8
98.02357	23.4
99.02688	1.1
116.03431	32.1
116.04937	34.1
117.05278	1.9
130.06493	4.1
142.06522	9.5
159.09180	5.7
181.99474	1.2
183.09270	2.6
188.53705	1.1
191.38995	1.2
196.91800	1.1
201.10246	10.4
203.08202	87.8
204.08519	6.1
245.09302	62.3
246.09595	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.043
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.30184	1.1
69.53787	6.4
78.95777	100.0
96.96842	10.9
98.19762	1.2
150.77119	1.2
152.99493	86.3
153.99745	1.6
154.50642	1.1
171.00568	41.1
245.04286	78.7
246.04605	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0816
Annotation	Cordyol C
Peak:m/z	Relative Intensity
58.39294	0.3
65.00199	0.4
69.80084	0.3
80.02505	0.3
89.03874	0.3
91.01778	0.5
98.49339	0.3
104.02541	0.6
108.02085	0.7
109.06470	1.5
115.05396	0.4
131.08571	0.4
132.02016	0.5
133.06517	0.5
134.00018	0.4
141.06958	0.3
142.07776	0.9
144.05775	0.3
148.01579	2.2
151.11171	0.8
153.12761	0.5
157.06470	0.3
157.10107	1.9
159.04395	0.7
159.08009	1.1
165.12759	0.3
171.04510	0.3
173.06029	0.5
173.09615	0.6
176.01079	12.0
177.01588	1.2
185.06004	1.3
186.06804	7.6
187.03911	0.7
187.07138	0.7
189.01868	1.2
190.02634	0.9
201.01871	2.6
201.09160	15.0
202.02640	0.5
202.09416	1.5
203.03479	1.4
203.14359	0.4
215.03450	23.6
216.03784	1.7
229.05006	2.5
230.05586	0.3
245.08167	100.0
245.19077	9.9
246.08508	8.9
246.19460	1.0
253.52806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25656	0.7
51.58138	0.9
78.95776	78.1
96.96848	7.1
98.19778	1.6
140.41753	0.9
148.36076	0.8
150.97893	0.8
152.99489	73.6
153.99840	1.7
155.60356	0.8
164.18721	0.8
171.00552	33.5
172.01164	0.7
199.43901	0.8
213.85947	0.8
245.04298	100.0
246.04619	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.03055	0.6
57.03302	0.6
59.01246	1.3
59.81586	0.7
71.04883	3.4
71.58822	1.0
83.04918	0.9
97.02829	3.9
97.06474	1.3
97.21465	0.5
98.49362	0.6
99.00761	20.1
109.06462	1.9
110.03594	1.4
125.09600	5.2
132.59135	0.5
135.08052	0.9
136.05193	1.1
142.02592	1.3
151.62680	0.6
153.12697	0.8
155.14314	1.6
163.11200	5.6
164.11618	0.7
171.10068	0.8
173.54523	0.6
181.12274	20.5
182.12561	1.4
197.11765	1.8
199.13341	19.3
200.13643	1.8
207.10207	36.8
208.10532	3.4
225.11278	78.7
226.11656	4.8
243.12352	100.0
244.12650	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01757	0.8
57.03326	1.2
59.01233	1.9
59.89308	0.4
70.72704	0.4
71.01270	0.7
71.04899	5.1
71.58537	0.5
71.58916	0.6
73.02813	6.9
83.04891	1.8
91.01768	2.6
97.02831	8.4
97.06487	3.0
99.00755	26.7
100.01081	0.8
107.04905	0.6
108.02053	2.9
109.02859	0.4
109.06454	1.9
110.03593	2.4
113.90114	0.5
116.62534	0.4
116.86596	0.4
122.54373	0.5
123.00758	1.0
123.08031	1.5
125.09618	9.5
126.10004	0.6
127.11162	1.7
132.93181	0.5
135.00716	1.2
135.08032	1.2
136.05186	1.5
142.02629	3.0
151.07521	0.6
152.01054	1.4
153.12737	1.7
155.14308	2.1
161.09688	1.2
163.11194	12.0
164.11444	0.6
171.10167	0.9
179.10687	1.2
181.12256	33.3
182.12627	2.3
190.30057	0.5
197.11761	1.4
199.13333	27.4
200.13678	1.5
207.10202	64.6
208.10558	4.7
225.11275	100.0
226.11630	7.4
243.06909	4.5
243.12343	77.8
244.12669	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
60.57805	0.5
69.03329	36.1
69.41579	1.4
69.41988	4.9
70.03648	1.1
72.81306	0.6
79.01752	2.9
81.03333	1.7
85.02849	0.7
91.01791	1.0
95.01269	4.3
97.02834	23.5
107.01273	8.7
108.02056	61.8
109.02837	3.2
117.22619	0.6
121.02811	2.9
123.00764	6.0
125.02341	41.0
126.02673	2.1
135.00778	65.6
136.01105	2.9
137.02347	5.5
139.70827	0.6
143.31236	0.5
147.70143	0.6
149.80179	0.5
151.00290	1.8
152.01060	100.0
153.01355	5.3
197.06030	5.4
199.07591	0.9
215.07092	1.1
216.20061	0.7
225.11285	1.1
236.32622	0.6
243.06615	12.4
243.10350	0.8
243.12495	1.6
243.15829	0.7
244.06842	1.1
253.75186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15308	0.4
65.00199	2.2
65.03829	0.9
67.15090	0.4
69.03310	0.5
70.74311	1.3
80.02541	2.6
81.03329	0.6
87.08049	0.4
91.01773	46.4
92.02118	1.6
95.01278	2.3
97.02838	0.5
107.01299	0.8
107.04881	3.0
107.53169	0.4
108.02060	59.8
109.02876	12.2
110.03217	0.5
111.00766	0.9
121.02845	1.1
123.00775	15.5
124.01545	1.4
135.00784	33.5
136.01128	1.5
137.02353	8.2
138.02640	0.4
138.62648	0.4
149.08464	0.4
152.01067	43.1
153.01486	1.8
169.06599	0.7
197.06023	3.3
199.07568	1.3
204.07906	0.4
213.05531	2.9
215.07097	2.4
225.05490	0.7
225.11363	1.3
241.05025	0.6
243.06613	100.0
244.06956	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.2
59.01254	1.7
64.64447	1.0
69.03317	1.1
71.49722	1.6
71.50059	1.1
73.02812	1.3
77.60107	1.2
78.84540	1.2
80.02492	1.2
81.03343	1.2
83.04896	5.6
92.26746	1.4
95.04892	3.3
97.06471	12.5
111.08047	11.2
113.77060	1.1
117.08083	1.2
129.87961	1.2
147.11597	1.3
156.43671	1.3
163.11191	3.1
165.12767	100.0
165.86984	1.4
166.13094	9.9
168.45221	1.2
180.94395	1.2
197.15398	16.5
209.11807	5.4
227.12865	1.7
241.04944	2.0
241.14325	6.0
241.18117	4.2
241.21771	5.2
242.17570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01733	1.7
59.01231	1.9
66.03371	12.8
68.01280	3.2
70.64795	1.7
71.01270	2.6
71.56572	2.0
82.02856	24.7
83.01239	2.5
87.00735	3.2
94.02883	3.3
96.04415	2.8
108.04425	2.9
110.02366	100.0
111.01905	6.0
117.01832	1.9
122.02362	6.3
124.03938	4.5
138.01924	2.2
140.03429	9.3
152.03444	16.4
153.01901	1.4
153.02875	7.9
200.05577	29.0
210.55986	1.5
243.06216	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2014
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
57.03327	0.7
59.01248	4.1
65.00175	0.5
69.50369	4.1
74.98951	1.3
83.04880	1.1
91.02069	0.8
93.00001	1.6
98.20539	0.7
123.00804	0.6
149.00871	0.8
163.52129	0.4
179.05571	1.8
195.13763	0.9
221.19078	1.3
223.02783	12.0
224.02806	2.1
226.05360	0.5
239.12419	1.4
239.20120	100.0
240.02975	0.6
240.20447	10.5
241.03886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01749	0.5
57.03322	0.9
59.01273	0.5
69.03319	3.1
69.62946	0.4
69.88577	1.8
69.89004	0.8
71.01215	0.7
71.04895	3.8
79.50343	0.5
81.76632	0.4
83.04909	0.8
97.06474	1.1
98.20437	0.9
100.60222	0.4
110.42490	0.4
123.08073	0.7
125.09596	1.6
151.11185	1.3
153.12741	2.8
161.09618	1.3
179.10692	6.3
197.05914	1.5
197.11761	100.0
198.12067	7.0
201.99075	0.4
223.09718	2.5
241.10777	53.5
241.21626	0.6
242.11125	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03326	100.0
58.03658	1.6
59.01249	1.6
69.03334	4.6
69.53745	5.4
71.04881	3.6
73.01124	0.7
81.06966	1.2
83.04923	1.1
84.28809	0.8
95.04894	1.1
97.06470	2.2
107.04919	2.6
109.06475	18.1
109.10137	1.2
120.05698	2.2
121.06508	0.7
123.08046	33.2
124.08381	1.6
125.09629	6.6
135.08067	5.8
136.08366	0.7
137.09663	0.9
142.53171	0.6
149.09653	0.9
151.11185	19.9
152.11485	1.0
177.12779	2.3
179.10675	4.7
195.13844	83.7
196.14189	7.0
221.11604	1.2
223.02687	1.0
228.24693	0.7
239.12866	81.1
240.13219	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.8
69.87692	2.7
71.01253	0.5
82.46908	0.4
83.58968	0.4
85.02813	0.7
85.33680	0.5
92.14890	0.5
102.32150	0.4
104.90751	0.4
120.30254	0.5
148.83278	0.4
159.11751	0.5
177.12769	3.3
179.05515	0.7
195.13835	100.0
196.14171	6.2
203.10786	0.9
221.11769	1.3
223.02794	0.4
239.12840	6.8
240.13347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1286
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.86665	0.8
55.01766	4.1
57.03321	12.7
59.01258	1.3
60.28576	0.7
67.01745	1.2
69.03312	1.5
71.04870	1.1
78.45646	0.8
80.02579	1.6
81.03340	4.7
83.01270	5.4
83.04893	21.4
84.02036	4.9
84.05206	1.2
85.02822	100.0
86.03158	2.7
90.09194	0.8
97.02841	3.7
108.02050	1.1
109.06489	3.1
110.03621	1.4
116.17416	0.7
123.08027	1.2
125.09607	1.3
127.11213	0.9
142.02646	1.6
155.10693	4.3
155.17058	0.8
171.10181	5.2
177.12782	3.3
193.12273	7.1
195.13831	3.3
211.13383	1.7
221.11786	28.7
222.12157	2.6
239.12859	77.2
240.13223	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1286
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01756	3.0
57.03323	16.4
59.01236	2.7
62.95229	0.8
67.01761	1.3
69.03336	2.0
69.59720	5.4
69.60133	1.8
71.01241	1.1
71.04878	1.7
80.02549	1.5
81.03330	5.4
83.00828	1.0
83.01246	5.6
83.04395	1.5
83.04894	23.8
84.02032	7.4
85.02822	100.0
86.03163	2.1
94.18428	0.8
95.04920	1.4
97.02834	6.3
97.06461	1.1
98.20488	1.0
108.02015	0.8
109.06500	4.3
110.03623	2.9
123.04382	1.3
123.08096	1.0
124.96108	0.8
125.09554	1.9
127.11216	0.9
142.02631	3.9
153.09087	0.8
155.10670	5.9
171.10217	3.9
175.11201	1.3
177.12766	3.7
179.05580	1.7
179.10721	1.2
193.12244	6.7
195.13873	5.5
196.13995	0.7
198.12564	1.0
211.13339	2.0
221.09549	1.4
221.11790	45.0
222.12157	4.6
239.12863	81.1
240.13231	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71899	0.3
57.03315	0.8
57.43888	0.2
59.01253	3.3
59.96608	0.4
67.25845	0.3
69.03345	0.3
74.98946	8.4
75.96091	0.6
83.04897	0.7
85.02837	2.6
87.00733	0.5
91.02085	10.1
92.02004	0.3
93.00018	10.3
93.99977	0.3
95.04900	0.3
97.02831	0.4
98.64720	0.3
109.06444	0.5
114.58382	0.3
149.00854	5.7
150.00954	0.3
161.04482	0.4
177.12820	0.3
179.05524	2.2
195.13777	1.2
206.99652	2.9
207.99701	0.4
208.97713	0.2
221.04602	0.3
221.11827	2.7
223.02789	100.0
224.02849	12.4
225.00732	0.3
229.21017	0.3
239.05658	0.5
239.10457	0.5
239.12837	5.7
239.15385	0.3
239.16479	0.6
239.20148	0.3
240.13144	0.4
241.03853	4.7
242.03928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00468	0.4
55.01753	2.9
55.76900	0.4
57.03325	13.7
59.01247	2.9
59.04563	0.4
67.01753	1.4
69.03318	1.8
71.01244	0.8
71.04890	2.1
71.93407	0.4
73.02821	0.6
73.44512	0.4
77.19146	0.5
80.02547	1.7
81.03335	4.9
83.01250	4.8
83.04895	22.4
84.02039	7.8
84.05241	0.8
85.02822	100.0
86.03169	2.1
95.04932	0.6
97.02811	4.0
97.06429	0.9
106.04146	0.4
108.02059	1.1
109.06490	3.2
110.03600	2.5
123.04437	1.0
123.08038	0.5
125.09595	1.4
127.11169	0.8
136.05193	0.7
142.02611	2.9
149.09662	1.1
153.09142	1.0
155.10680	5.9
165.12807	0.6
167.02585	0.5
171.10156	3.5
175.11198	0.9
177.12779	3.8
178.13268	0.5
179.05493	1.3
193.12265	7.3
195.13840	5.6
203.10646	0.6
211.13411	1.3
221.11778	46.2
222.12143	4.7
223.02763	1.1
239.12854	77.6
240.13141	8.4
259.85834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0612
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
50.67754	0.8
51.16388	0.8
57.03312	3.0
59.01254	7.0
66.43755	0.9
67.60931	1.0
71.01255	8.8
71.56813	1.7
72.99174	2.9
73.02806	1.6
75.00750	10.1
78.95772	9.1
83.61313	0.9
85.02811	4.4
87.00751	100.0
88.01072	1.4
89.02328	2.5
95.01288	1.1
96.96802	0.9
101.02348	2.1
111.00761	1.3
113.02313	1.5
121.96424	1.0
129.01833	13.6
133.01378	1.3
197.88933	0.9
218.86795	4.3
237.06110	8.8
238.06184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	10.6
57.03321	4.5
58.00452	3.8
59.01250	69.5
63.53577	1.5
69.94431	9.2
71.01252	100.0
72.01601	2.0
72.18305	1.6
72.99177	4.0
73.02819	40.2
75.00747	7.7
78.37524	1.5
82.32823	1.7
83.01264	22.5
84.02057	1.7
85.02822	53.0
87.00748	5.2
89.02317	13.5
95.01273	8.1
95.01812	1.8
99.00755	12.7
101.02322	97.0
102.02623	2.4
111.00711	2.2
113.02328	39.1
114.02616	1.6
119.03397	1.9
129.01855	2.6
138.05586	2.3
138.19078	1.6
140.09601	1.7
143.03352	2.4
159.02890	11.7
161.04453	26.0
194.08127	4.6
237.06129	2.8
237.09634	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1493
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
55.01785	0.4
56.61487	0.4
57.03326	24.9
58.03664	0.6
59.01254	6.7
69.79819	0.4
70.09770	2.3
71.01263	1.9
81.03351	0.5
83.01259	0.5
83.04899	4.1
85.02816	0.6
85.06481	0.8
92.99674	0.5
95.04886	0.5
96.95909	0.6
97.06513	0.6
101.02319	1.1
109.06502	2.1
111.33952	0.4
113.02395	0.5
117.71252	0.4
118.02893	0.5
121.02843	0.5
123.08054	1.0
139.11217	0.5
141.09212	0.5
149.09639	1.1
161.04308	0.4
164.39212	0.4
165.05463	0.4
167.10707	3.6
177.12756	0.9
179.10698	3.8
190.68172	0.5
193.12215	0.5
193.15958	3.5
195.13882	4.8
201.71509	0.4
219.10217	0.9
219.13869	1.1
237.14940	100.0
238.15227	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04835	0.4
55.89225	0.4
65.82108	0.3
70.00011	0.4
70.60048	1.4
75.04668	0.4
90.37280	0.4
100.69135	0.4
101.27551	0.4
107.98779	0.4
109.02858	0.4
134.03606	1.4
135.04382	0.5
136.05186	0.8
138.27090	0.4
148.05203	12.3
149.05643	0.5
149.09633	1.4
153.73718	0.4
175.07584	0.7
176.08315	1.1
177.09128	50.1
178.09505	3.3
190.09860	1.8
191.10600	1.2
192.11484	40.0
193.11943	2.7
201.09113	0.7
203.07133	0.8
217.08589	3.8
218.09421	10.9
219.09937	0.8
236.10501	100.0
237.10892	10.0
237.14648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1699
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
59.01250	10.4
69.34805	3.4
71.01263	1.7
73.02798	0.7
83.04895	1.3
101.37199	0.4
109.02819	0.5
119.01278	0.4
148.05247	0.5
151.07602	0.4
161.13390	0.4
163.07628	0.4
163.14848	0.7
177.09103	0.7
191.07091	0.4
191.17998	2.5
191.73888	0.4
192.11458	0.4
207.13884	0.4
217.15948	1.5
233.15433	1.5
235.02408	0.5
235.17001	100.0
236.10562	1.5
236.17342	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1337
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
57.03326	2.0
57.21931	0.1
59.01258	0.9
65.03836	100.0
66.04168	3.2
66.04523	0.2
68.13874	0.1
69.03333	0.3
71.57924	0.3
80.02553	0.3
83.04906	0.4
95.04905	0.6
97.06472	6.5
98.06827	0.3
106.04154	0.2
122.03625	0.2
123.08061	3.7
125.09621	46.9
126.09953	2.9
126.10894	0.1
135.00888	0.2
163.07542	0.2
169.08702	1.0
173.13261	1.2
187.09659	0.6
191.07025	0.2
191.14372	0.5
200.16777	0.2
207.13840	0.2
217.12302	2.4
218.12622	0.2
235.13370	50.6
236.13716	5.8
248.03375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36884	1.6
55.01760	15.7
55.73610	1.9
57.03317	7.6
58.00461	4.2
59.01254	78.9
62.01940	1.8
66.59461	1.9
69.03313	3.0
69.78101	11.2
71.01259	82.8
71.04887	3.8
72.99177	6.7
73.02819	36.5
73.06467	4.4
75.00753	2.3
83.01250	28.6
85.02827	53.3
85.10503	1.9
85.99979	4.3
87.00759	7.5
89.02304	5.9
95.01258	10.8
97.02834	3.8
99.00761	18.3
101.02328	100.0
102.02671	2.2
104.07375	1.9
111.00761	3.9
113.02332	33.3
119.50482	1.8
121.02827	2.0
125.02393	3.1
130.01086	2.0
147.04454	1.8
148.05205	2.4
159.02921	5.1
161.04501	10.0
177.05383	1.8
184.03131	2.1
191.06973	3.5
235.06023	3.6
235.11583	10.1
235.13873	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2115
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
59.01231	2.9
71.15757	8.4
74.96687	3.5
102.47050	3.3
159.04532	3.8
180.37459	3.7
231.02989	4.2
231.17508	10.8
231.21129	100.0
232.21457	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.2
66.52560	0.9
70.64610	2.8
71.01231	2.3
73.02833	1.1
79.18777	1.0
92.17030	1.0
93.03327	6.1
97.17671	0.9
111.04424	1.1
173.04477	3.2
173.11687	0.8
233.04503	1.5
233.06573	1.6
233.15428	100.0
234.15805	9.7
254.37413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07600	0.3
53.50117	0.3
59.01262	0.8
59.96594	0.6
60.97371	0.7
62.54025	0.3
64.57610	0.2
64.70116	0.3
70.91496	0.6
74.98946	7.3
74.99345	0.5
75.96099	0.5
83.75450	0.3
85.97311	0.3
91.02094	1.0
93.00015	5.5
93.03352	0.3
118.96133	0.7
122.03658	0.5
134.99298	8.2
135.99222	0.7
136.97234	3.5
137.97194	0.3
141.07347	0.6
143.05392	0.3
149.00870	77.3
150.00845	4.6
150.98811	0.9
152.96744	0.5
159.08376	2.5
161.06306	4.0
162.06735	0.3
167.01906	0.5
201.04021	0.6
215.05685	1.5
217.07175	100.0
218.07295	11.6
233.10301	89.0
234.10461	10.8
234.15707	1.1
235.08171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03328	2.3
71.04893	0.5
83.04896	0.6
84.02023	0.5
85.02824	1.0
97.06477	0.7
121.54986	0.3
125.09618	3.2
127.11196	4.8
155.10677	0.4
155.14330	2.2
160.06581	0.3
165.12764	0.9
167.14284	1.9
171.10194	6.0
183.13809	1.2
185.15361	0.3
190.13855	0.3
201.11224	0.9
202.11516	0.4
209.11761	3.5
211.13379	8.3
212.13602	0.5
229.14404	100.0
230.14757	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03329	2.3
59.01250	2.7
65.01292	0.5
68.33096	0.4
70.91717	1.0
71.04902	0.8
80.02537	0.3
83.04908	0.6
84.02049	0.9
85.02837	1.1
93.43786	0.4
97.06482	1.4
106.03938	0.4
119.02461	0.4
123.08029	0.7
125.06030	0.4
125.09612	6.3
125.10433	0.7
127.11190	5.7
133.03967	0.4
155.14319	3.1
158.03586	0.4
160.05037	0.5
165.12733	0.9
167.10725	0.5
167.14345	2.0
168.14645	0.4
171.10249	1.1
183.13809	1.2
191.73477	0.4
201.09468	0.6
201.11270	3.4
202.05984	0.5
208.09555	0.4
209.11761	1.6
211.09668	0.6
211.13354	3.7
227.61134	0.4
229.14423	100.0
230.14761	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.26099	0.3
60.62080	0.4
69.75928	0.7
69.76350	1.5
69.77785	0.3
91.83590	0.3
128.97676	0.3
129.05493	0.5
139.11160	0.6
144.10431	0.3
163.11890	0.3
165.12770	1.1
167.14328	34.0
168.14717	2.2
171.29691	0.3
185.15387	1.3
196.03879	0.3
197.99704	0.3
211.13341	28.0
212.13651	2.4
229.14409	100.0
229.80206	0.3
230.14738	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
59.01253	2.1
60.01571	0.6
61.01672	0.5
65.01323	0.5
71.04882	0.8
71.45025	0.8
73.02808	0.5
80.02543	2.6
81.03310	2.0
83.04895	8.5
84.02043	3.3
84.05241	0.4
93.03337	0.6
95.04907	1.0
97.06446	0.6
121.02821	0.4
125.06010	0.8
125.09625	0.6
133.45399	0.5
135.08061	1.0
139.11224	0.4
153.12729	0.5
159.06660	0.5
163.11176	6.0
163.12341	0.6
165.12755	5.7
181.12297	0.9
183.13843	2.0
191.10658	1.6
199.13322	2.8
209.11769	100.0
210.12122	8.2
227.07248	0.6
227.12877	7.1
227.16371	0.7
227.20125	1.6
228.13397	0.5
242.79083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34169	0.4
57.85863	0.4
60.37244	0.4
69.49220	3.0
69.49625	0.9
69.86105	0.5
71.04919	0.5
71.81808	0.4
72.65756	0.4
80.02538	2.2
81.03336	1.5
83.04902	7.8
84.02039	3.4
95.04901	1.1
103.74566	0.4
125.05974	1.1
135.08040	0.7
138.82127	0.4
163.11186	6.8
164.11505	0.5
165.12755	5.2
181.12254	1.3
185.61736	0.4
191.10689	1.7
194.68484	0.5
196.66475	0.4
209.11772	100.0
210.12111	10.6
227.12831	2.6
228.12984	0.6
239.68697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.29158	0.2
57.03324	0.5
57.20896	0.2
69.03340	0.3
71.04897	0.2
71.45483	0.2
71.45821	0.2
83.04932	0.3
104.14014	0.2
111.08042	1.2
158.33984	0.2
165.12766	18.5
166.13113	1.6
181.12320	0.3
183.13829	100.0
184.14174	9.0
184.15871	0.3
191.10701	0.3
209.11780	2.2
210.12115	0.3
219.42960	0.2
227.12839	12.7
227.20187	0.3
228.13219	1.1
245.02544	0.2
249.91809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
52.64728	0.3
57.03325	0.9
59.01244	1.2
67.01757	0.3
70.82607	1.0
71.04890	1.1
74.91177	0.4
80.02537	2.6
81.03323	1.8
83.04893	7.8
84.02050	4.1
93.03359	0.5
95.04919	1.0
95.31702	0.4
96.95885	0.5
97.02882	0.4
97.06471	0.6
103.14104	0.4
106.04044	0.7
107.08066	0.3
111.08011	0.7
125.05989	0.8
125.09617	0.6
135.08067	1.3
141.12743	0.5
143.04933	0.6
163.11200	6.9
164.11540	0.5
165.12766	5.2
169.12242	1.5
171.13818	0.6
174.06705	0.6
181.12222	1.7
183.08055	0.4
183.13841	5.6
191.10730	2.0
197.11507	0.4
199.13335	5.6
200.13724	0.5
209.11775	100.0
210.12114	8.7
227.07069	2.4
227.12874	10.9
227.16493	1.0
227.20073	4.5
228.13194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10165	0.2
55.01748	0.2
57.03305	0.3
60.11031	0.2
62.22661	0.2
66.48339	0.2
69.42977	0.3
69.43386	1.6
70.54079	0.2
71.04889	0.5
79.64531	0.2
80.02554	2.3
81.03318	1.7
83.01275	0.5
83.04397	0.4
83.04897	7.7
84.02044	3.3
87.71125	0.2
93.03336	0.3
95.04910	0.9
97.06458	0.3
111.08060	0.5
125.05977	0.9
125.09627	0.6
127.11234	0.2
135.08044	0.9
137.35043	0.2
147.11685	0.3
153.12668	0.2
155.14325	0.3
163.11197	5.6
164.11523	0.3
165.12770	4.2
166.13136	0.3
181.12248	0.9
183.13782	0.4
191.10742	2.1
199.13411	1.0
209.11778	100.0
210.12137	8.4
227.12886	2.7
227.20195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.149
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	1.6
60.99178	0.5
71.58410	0.3
88.76211	0.2
93.03335	0.2
107.83491	0.3
116.05950	0.2
133.36530	0.2
163.11185	0.5
181.06287	0.3
181.12270	0.6
195.02864	0.4
207.10185	1.2
210.05261	0.3
225.05438	0.9
225.07570	0.4
225.11493	2.0
225.14894	11.6
226.11229	0.2
226.15202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0708
Annotation	5,6-Dehydrokawain
Peak:m/z	Relative Intensity
57.03319	0.6
59.01247	0.4
63.53236	0.4
65.03844	0.7
67.01758	0.3
69.03323	0.4
70.28371	1.3
80.02558	0.6
82.00496	0.5
83.04891	1.2
90.30549	0.3
90.95587	0.3
91.01777	1.4
92.02561	1.5
93.03336	100.0
94.03669	4.5
95.01263	6.2
95.04923	0.4
96.86647	0.3
107.04906	9.3
108.02048	13.9
109.02402	0.4
109.09441	0.3
119.01269	0.4
121.02844	70.4
122.03168	3.9
123.00755	0.6
126.66901	0.4
135.13040	0.3
136.01564	12.2
137.02324	1.4
137.34120	0.4
149.02382	0.5
151.03931	1.1
163.11230	0.7
165.12761	1.4
183.04411	0.4
183.08047	2.1
183.13872	2.6
197.06013	17.2
198.06343	2.0
198.55186	0.5
199.07585	8.0
199.13333	1.6
200.07980	0.6
208.05264	0.5
209.06090	1.7
209.11765	11.4
210.12175	0.9
225.05487	0.6
227.07091	47.9
227.12808	4.5
227.16444	0.9
227.20103	2.9
228.07423	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08969	0.5
59.01260	2.8
61.72545	0.5
65.00175	0.4
66.79150	0.4
67.81417	0.5
69.03326	0.6
69.36491	3.7
69.36905	0.7
71.04884	0.7
80.02547	0.6
81.03334	0.9
82.25930	0.4
83.04890	0.8
93.03333	0.5
95.04909	0.6
97.02831	12.5
97.06523	0.6
99.00756	4.1
103.58665	0.5
109.06477	6.6
110.03616	5.5
111.04469	0.5
121.06454	0.6
123.04392	0.6
125.09603	1.6
135.08073	2.8
136.05205	2.6
136.98727	0.8
142.02640	6.2
161.09659	1.7
163.11209	11.9
164.11545	1.3
165.09076	0.6
179.10677	1.7
181.12267	34.0
182.12672	2.5
189.09146	0.8
197.11787	2.2
207.10207	86.7
208.10544	8.2
225.11278	100.0
226.11595	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43400	1.0
55.93682	0.9
59.01253	8.7
69.68014	0.7
70.88148	1.7
80.02550	1.6
81.03326	4.4
83.04893	3.9
84.02029	1.3
93.03344	1.5
97.02836	13.1
97.06471	0.8
98.03154	1.1
99.00753	1.8
99.04431	0.8
106.04131	1.5
109.06478	35.6
110.03613	6.2
110.06777	2.3
121.06479	2.9
125.09624	1.5
135.08075	5.1
136.05225	2.1
142.02632	6.8
161.09619	2.1
163.11205	24.1
164.11513	2.5
179.10722	1.5
181.12260	22.3
182.12665	2.2
189.09058	1.3
197.11769	1.3
207.10210	100.0
208.10594	9.6
225.11278	94.9
225.13550	1.8
225.14857	2.1
226.11624	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03322	2.6
57.84930	1.1
59.01245	7.5
69.03320	10.4
70.02742	5.5
71.04893	2.4
83.04907	2.0
85.06464	1.9
88.28127	0.9
95.04895	1.2
98.20462	1.5
109.06443	2.0
122.96379	1.0
125.09656	1.3
141.09129	1.6
142.72890	1.0
149.09612	2.6
167.10706	13.1
177.12773	2.5
179.10709	5.9
179.14308	14.0
195.13837	32.7
196.14177	3.8
205.12274	23.2
205.14079	1.8
206.12617	3.3
223.13345	100.0
224.13731	10.4
237.70724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
54.39379	0.9
55.25151	0.9
57.03307	2.2
59.01252	7.0
64.25878	0.9
69.03320	13.0
70.33015	3.3
71.04893	2.7
83.04858	1.7
85.06471	2.1
93.03368	1.0
97.06501	0.9
98.20417	1.1
101.77338	1.3
108.05674	1.8
109.06479	2.6
112.76364	1.3
116.55316	0.9
125.09612	1.8
141.09108	1.3
149.09631	3.2
161.13306	2.8
164.31529	0.9
167.10692	14.6
168.11081	1.3
177.12802	2.7
179.10722	5.2
179.14334	11.8
195.13849	37.1
196.14149	4.9
205.12276	25.0
206.12640	3.1
223.13345	100.0
224.13657	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
56.60847	0.5
57.03315	1.9
59.01252	10.2
69.03323	10.5
71.01256	2.6
71.04896	2.7
71.57323	0.6
71.57693	0.7
74.39798	0.6
74.98959	0.9
80.02543	0.8
81.03299	0.6
83.04889	2.1
85.02831	1.0
85.06453	2.1
88.31033	0.5
93.00014	1.4
93.03315	0.9
95.04884	1.6
97.06442	1.2
99.08026	0.6
101.02325	1.1
107.04888	0.7
108.05667	0.9
109.06506	2.4
111.00684	0.5
111.07996	0.8
123.08087	0.9
125.09595	1.4
135.11710	1.4
137.02298	0.7
138.03067	0.5
141.09108	1.3
148.69148	0.5
149.00871	1.6
149.02174	0.7
149.09648	3.0
151.03870	1.3
161.04765	0.5
161.13268	1.7
165.01865	0.9
166.06253	0.9
167.10693	13.3
168.11034	1.0
176.98146	0.7
177.12781	2.5
178.99719	0.8
179.09274	0.7
179.10722	6.3
179.14334	12.2
180.11053	0.7
180.14687	1.5
193.01303	2.0
195.13838	34.9
196.14166	3.0
205.12280	24.8
206.12613	2.0
208.03690	1.9
222.98555	0.7
223.02771	10.0
223.13344	100.0
224.02962	1.5
224.13669	11.3
241.03873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72706	0.2
54.19874	0.2
59.01244	0.8
59.96590	1.0
70.44904	0.7
71.01260	0.5
73.02831	0.3
74.98947	12.5
75.96104	1.0
75.98902	0.3
81.82172	0.2
83.01279	0.2
85.02815	0.2
93.00013	15.7
93.99957	0.5
95.01270	0.3
96.95895	0.6
101.02316	0.6
119.99941	0.2
121.02845	0.2
123.00745	0.2
149.00871	14.0
150.00809	0.9
150.98792	0.5
151.03957	0.3
151.11217	0.2
164.04785	0.2
165.01915	0.3
166.06308	0.5
167.10594	0.2
179.10724	0.3
179.14413	0.3
193.01353	1.1
195.13857	0.7
205.12146	0.2
206.97696	0.3
206.99644	6.0
207.99701	0.7
208.03720	0.8
208.97694	0.2
223.02798	100.0
223.13336	4.9
224.02834	13.4
224.13675	0.5
225.00703	0.3
226.79871	0.2
241.03862	3.7
242.03906	0.6
243.76360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1541
Annotation	Kobusone
Peak:m/z	Relative Intensity
51.88364	0.1
54.20163	0.1
57.95300	0.1
59.01248	0.2
70.25012	0.1
88.89373	0.2
127.07541	0.6
134.31668	0.1
148.05205	0.3
149.05881	0.5
151.07558	0.4
164.08340	2.5
165.09004	0.3
190.99776	0.3
205.12273	1.8
206.02135	0.6
206.12622	1.2
207.13841	1.4
208.14220	0.2
220.14647	4.5
221.15413	100.0
222.15762	10.7
226.62860	0.2
234.98546	0.1
235.13417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58094	0.8
59.01255	5.0
65.03830	2.8
67.01764	1.0
69.75901	4.4
69.76335	1.6
71.01253	1.8
72.46491	0.7
73.02824	1.7
77.03867	2.1
82.04028	0.7
85.02821	1.3
93.03348	1.7
94.04113	1.1
101.02305	1.3
105.91043	0.7
107.04898	1.1
108.02082	4.7
109.02840	7.9
109.06481	23.0
113.02349	1.3
121.01961	1.2
121.02851	35.0
122.03640	63.4
123.03967	2.7
133.02869	2.5
133.10153	7.1
134.03635	2.5
150.03134	2.4
157.06561	1.2
162.06699	1.1
163.00262	0.8
171.16287	1.0
175.07600	2.9
177.01845	1.0
177.09134	100.0
178.06241	0.9
178.09468	7.7
182.02153	2.3
182.43271	0.9
187.04001	1.2
190.99771	5.2
191.07085	3.7
201.05467	0.9
203.07037	3.9
206.02150	3.6
221.00946	1.3
221.04562	2.1
221.08162	35.8
221.11664	2.1
221.15312	0.9
222.08430	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0662
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
51.53185	3.8
59.01253	100.0
69.03317	3.8
69.92487	15.0
69.92899	7.3
71.01258	43.8
73.02821	38.9
80.76051	3.9
83.01263	7.5
85.02826	11.2
89.02308	5.4
95.01272	4.7
101.02339	26.4
113.02359	26.3
131.03415	6.3
141.10272	4.1
146.25829	3.8
203.10768	5.6
206.02240	3.8
221.08182	5.8
221.11838	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0662
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
57.03309	0.7
59.01251	100.0
60.01576	1.5
67.29509	0.7
69.57045	2.9
69.57468	2.1
71.01251	11.4
71.40500	0.6
73.02833	2.8
85.02821	4.5
93.05366	0.6
95.01282	0.8
98.19854	0.9
99.00747	1.0
101.02319	4.9
113.02307	4.5
125.02386	0.8
135.04407	0.7
147.04453	0.8
156.92628	0.8
161.04451	3.3
190.99777	1.6
206.02190	2.5
216.17000	0.8
221.04488	0.8
221.11752	1.2
221.15117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03064	3.7
54.91611	4.2
57.03323	7.3
58.00447	4.1
59.01254	100.0
60.01599	4.8
60.47766	4.5
61.84684	4.2
66.75577	4.4
67.62303	3.8
69.03316	6.8
69.51173	3.6
70.59403	3.7
70.80537	4.4
71.01255	56.4
71.95742	3.7
73.02818	49.4
73.03133	4.4
83.01257	12.4
85.02834	18.0
89.02338	9.3
91.92844	4.1
93.74190	4.2
99.08173	4.4
101.02316	31.8
113.02348	41.3
126.66908	4.4
131.03450	8.7
163.00331	7.4
177.12738	6.7
190.99788	13.0
203.10747	8.0
206.02191	16.9
221.04637	10.5
221.11813	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1387
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
57.03312	1.1
59.01239	0.9
61.98682	0.3
69.03326	0.3
71.01258	0.4
71.04891	0.5
71.58475	0.4
75.00765	0.5
77.14057	0.3
79.05402	0.4
82.04010	0.4
83.04911	1.9
85.33412	0.4
91.32564	0.3
93.03374	0.5
93.06974	0.7
105.68564	0.3
107.04926	0.3
109.02847	1.0
109.06504	0.4
111.04415	5.9
111.05153	0.6
113.05941	0.3
114.34014	0.3
119.04904	0.4
119.08549	0.7
120.05671	0.4
120.44901	0.3
121.02828	0.5
121.04031	0.3
121.06493	0.8
122.03498	0.4
123.04490	0.4
125.05993	2.9
125.09560	0.4
127.59730	0.3
133.06499	0.4
135.08055	1.4
136.05214	0.6
137.09624	1.1
145.06499	0.5
147.04410	0.6
147.08147	0.8
148.05206	3.5
149.05988	1.4
149.09671	0.5
150.87218	0.3
151.07597	0.5
160.08839	0.8
161.09639	4.3
163.07558	3.8
163.11169	0.5
164.08055	0.6
166.06323	0.3
170.05763	1.0
171.08096	0.9
175.03937	0.4
175.07584	1.5
175.11229	1.0
177.01816	0.6
177.09076	0.5
177.12749	1.8
185.09550	0.8
186.10481	2.0
188.08315	1.7
189.09140	4.4
189.12767	2.7
190.09492	0.6
191.10751	0.5
196.07272	0.4
201.12799	13.8
202.13089	1.5
203.08786	0.5
203.09218	0.3
203.10721	14.0
204.07898	1.8
204.11501	36.0
205.11903	3.4
219.03012	2.7
219.13881	100.0
219.17384	42.8
220.14261	10.7
220.17757	4.3
236.10564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1073
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
59.01251	1.4
67.04353	0.4
69.36699	4.4
73.02827	0.5
73.88216	0.4
83.04907	0.6
120.21021	0.4
125.09613	1.6
127.11181	2.6
137.09613	4.0
145.02856	0.7
153.09103	1.0
155.10683	43.7
156.11031	4.1
171.10182	59.9
172.10535	4.7
181.08655	1.1
194.45947	0.5
199.09688	7.2
200.09978	0.6
215.09161	1.1
217.10754	100.0
218.11104	8.9
232.34149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.103
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.44644	0.7
59.01250	1.8
62.94609	0.7
70.06027	4.5
71.01258	10.8
71.04891	19.5
72.00780	0.8
73.96236	0.7
85.80200	0.7
88.03918	100.0
89.04253	2.1
99.04408	6.4
116.03415	0.9
116.07065	2.9
146.08138	51.1
147.08427	2.2
218.10294	18.1
219.02948	0.9
219.06688	1.0
219.10507	2.3
219.17485	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1397
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
57.03324	0.7
58.02853	4.2
59.01226	2.1
61.29710	0.7
71.44788	1.4
72.00783	4.2
72.99168	1.0
74.02351	14.1
82.02374	0.9
82.02861	17.2
82.06473	2.8
84.04424	26.6
85.02867	0.8
85.04730	1.3
86.02336	5.2
98.02325	1.1
101.07094	1.6
109.03908	0.9
114.09097	1.0
116.03426	1.1
127.05028	2.3
128.02493	1.5
128.03433	22.3
128.10718	6.5
129.03804	1.0
130.08652	1.0
140.10704	2.2
141.09225	0.7
141.10242	10.2
142.10580	0.9
142.12294	1.8
144.00816	7.3
154.12306	2.7
167.11813	8.2
168.08954	1.2
168.10301	0.7
169.13367	12.0
170.13713	0.8
171.14951	11.8
172.00372	1.1
172.15341	1.0
173.07042	1.7
195.11365	2.8
197.12897	100.0
198.13248	8.2
215.00937	46.2
215.13971	97.2
215.99423	0.9
216.01291	4.4
216.14348	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1283
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
50.97128	0.3
53.28843	0.3
57.03336	0.8
57.40710	0.3
59.01234	1.1
65.01318	0.4
69.03342	0.5
71.01258	2.1
71.04883	1.2
71.66524	0.3
72.02038	0.9
73.02811	1.2
75.75623	0.3
123.08080	0.4
125.09613	3.3
127.11184	5.2
141.12759	1.6
143.10690	1.2
144.00809	5.0
145.01186	0.5
151.11212	0.5
153.09105	0.6
153.12727	1.1
155.10664	1.7
161.09612	0.5
169.12248	1.9
171.01962	1.0
171.10178	18.8
172.00284	0.8
172.10536	1.1
174.63641	0.4
179.10727	1.7
185.11797	2.1
195.10289	0.4
197.11771	7.4
198.12099	0.7
213.11292	6.0
214.11565	0.4
215.00938	33.4
215.12831	100.0
215.99341	0.7
216.01216	3.1
216.13173	9.4
229.30452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.092
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
55.34056	0.9
59.01253	5.8
65.99704	0.8
69.79820	3.7
71.04918	0.6
83.04905	1.2
97.06472	1.2
101.05983	2.1
111.08060	0.7
123.08053	1.0
125.09630	7.6
127.11163	4.3
143.10674	7.0
144.00804	6.4
153.09151	2.4
169.39777	0.6
171.01910	1.5
171.10190	100.0
172.10527	7.5
215.00945	36.4
215.05746	1.5
215.09201	58.2
215.12720	2.3
216.01257	2.4
216.09496	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01253	0.6
62.82127	0.2
64.46488	0.2
68.11142	0.2
71.01276	0.2
71.35719	0.5
71.50439	0.2
86.33798	0.2
97.06477	0.4
104.72963	0.2
111.07995	0.3
141.25871	0.2
143.38239	0.2
165.12785	0.4
169.12260	0.6
177.12770	0.5
183.13829	31.2
184.14163	3.1
185.11742	0.5
195.13840	27.2
196.14172	2.3
211.13399	0.7
213.14905	100.0
214.15253	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28498	0.4
57.03331	1.4
59.01260	1.6
64.88470	0.4
65.01327	0.8
66.03383	0.4
69.03350	0.7
71.01271	0.6
71.44671	0.4
71.57920	0.5
71.58328	1.0
78.76097	0.4
83.04903	0.9
84.02071	0.5
95.04932	0.5
97.06474	1.4
109.48370	0.4
111.83252	0.4
116.07201	0.5
118.56220	0.5
123.08073	0.9
125.09647	1.6
137.09633	0.9
141.09059	0.9
141.12770	0.6
151.11191	13.4
152.11528	0.9
153.09160	0.8
169.12257	100.0
170.12593	6.6
171.06665	1.3
176.98167	0.5
183.13933	0.5
185.11783	1.3
187.06119	0.8
194.99440	0.6
195.10185	1.5
197.99133	1.0
213.01773	1.4
213.05602	0.5
213.11259	16.4
213.14699	3.6
213.18484	2.3
214.01440	0.7
214.07359	0.7
214.11569	0.8
215.76233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.38609	0.4
57.03316	0.4
59.01254	0.8
60.65108	0.4
64.65288	0.3
65.01311	0.9
70.33904	0.9
70.34304	0.7
72.72168	0.3
81.03339	0.5
95.04913	0.7
97.02869	0.4
97.06474	1.4
99.08115	0.4
105.19005	0.4
114.05597	0.4
125.09618	0.5
143.67827	0.4
144.05574	0.7
151.11200	11.9
151.12431	0.6
152.11536	0.7
169.12259	100.0
170.12592	8.6
171.06650	0.7
172.06181	0.6
173.04591	0.4
185.11757	1.2
186.06630	0.5
187.06212	0.6
194.99284	0.5
195.10246	1.2
195.13834	0.7
198.11809	0.4
213.01823	0.9
213.05611	1.1
213.07547	0.5
213.09270	1.0
213.11281	12.8
213.14835	2.8
213.18454	2.2
214.05139	0.6
214.07242	0.6
214.11552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
51.54476	0.3
57.03322	7.1
59.01250	4.4
61.63153	0.3
67.64102	0.2
69.03326	0.8
69.48850	0.2
69.49225	2.1
70.62966	0.2
71.01263	2.2
71.04897	0.6
72.02034	2.8
73.02818	0.7
83.04897	2.2
85.02814	3.2
87.00764	0.6
87.04389	3.5
95.04911	0.6
97.06461	3.1
98.03614	2.6
99.04468	0.3
109.06464	0.3
109.20254	0.2
115.07526	0.3
120.61501	0.2
121.06495	0.3
123.08050	2.9
125.05997	1.8
125.09612	13.7
126.09931	0.8
135.08038	0.8
139.11185	1.0
141.09114	8.7
141.10239	0.4
141.12738	2.4
142.09404	0.4
143.10672	0.9
149.09622	0.7
151.07567	1.4
151.11194	11.1
152.11559	0.7
153.09100	3.8
167.10672	3.3
169.08592	0.9
169.12239	4.5
171.10187	1.3
177.09123	3.5
178.09456	0.3
180.07756	0.3
183.13861	0.3
185.11743	0.7
195.10190	12.5
195.13867	0.4
196.10550	1.1
213.11261	100.0
214.11601	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01241	0.3
69.03327	1.1
70.87506	0.7
74.30761	0.3
79.76782	0.3
81.03385	0.3
83.04913	0.7
98.20578	0.3
118.69115	0.3
155.10648	0.4
165.12715	0.6
167.10670	0.9
167.14346	1.6
167.24380	0.3
183.13837	15.9
184.14180	1.7
193.12238	3.7
194.12592	0.5
211.13336	100.0
212.13664	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90474	0.4
59.18139	0.4
69.03320	1.1
69.48882	3.1
72.35986	0.4
83.04896	0.6
105.90724	0.4
106.72946	0.4
110.45479	0.4
118.78452	0.3
134.97958	0.5
155.10641	0.4
165.12735	0.6
167.10663	0.9
167.14354	1.6
180.94037	0.3
183.13840	17.6
184.14220	1.6
193.12270	5.1
211.13341	100.0
212.13686	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.11812	0.2
57.03331	0.4
59.01245	0.2
63.80297	0.2
67.01768	3.3
67.80934	0.2
69.03321	0.5
71.34978	0.3
77.51979	0.2
83.04883	0.9
85.06454	0.5
95.04907	0.3
97.06470	0.6
110.74979	0.2
123.08098	0.3
125.08733	0.3
125.09618	5.4
126.09975	0.3
151.11185	0.5
165.12831	0.2
167.14323	4.4
168.14674	0.4
183.13846	0.5
193.12189	0.4
211.13338	100.0
212.13680	9.2
231.47345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
59.01241	0.4
71.58842	0.6
72.93456	0.4
75.34779	0.3
80.02550	3.4
81.03327	2.5
83.04401	0.5
83.04900	10.9
91.01776	0.4
93.03325	0.4
94.02895	0.6
95.04913	1.2
99.01379	0.4
109.06459	0.8
121.02850	17.6
121.06449	0.5
122.03212	0.5
124.03968	1.0
125.05989	1.3
130.10629	0.4
135.04417	0.5
135.08066	1.8
143.55457	0.5
156.05513	0.4
161.02356	0.7
163.10037	0.3
163.11226	8.1
164.11606	0.7
165.12773	5.3
179.03426	0.9
181.12263	1.3
183.06752	0.7
191.10683	2.1
194.02045	0.6
194.05757	0.6
209.04471	2.6
209.11783	100.0
210.04836	0.4
210.07793	1.1
210.12134	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31831	0.4
52.77480	0.3
52.98720	0.3
57.42697	0.3
61.79580	0.3
62.67957	0.3
65.45088	0.3
69.29250	2.7
69.29662	0.6
80.02544	2.7
81.01126	0.3
81.03331	3.1
83.04898	10.4
84.05226	0.4
95.04910	1.7
97.06419	0.4
109.06449	0.6
121.02860	2.5
125.05936	0.8
135.08031	1.1
147.11752	0.4
163.11201	7.7
164.11531	0.6
165.12767	5.9
166.13054	0.4
181.12303	1.1
191.10648	1.8
209.11771	100.0
210.12128	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01243	0.9
60.20557	0.3
60.88783	0.3
64.72633	0.3
65.00185	0.4
67.01754	0.3
69.03336	0.4
71.57522	0.5
73.02834	0.3
77.89992	0.3
81.03342	0.5
83.01252	1.2
83.04900	0.9
84.04391	0.3
91.01771	0.3
92.99679	0.4
93.03341	0.6
94.02898	0.9
95.01222	0.3
95.04907	0.5
97.06483	0.6
109.02859	0.5
120.02094	0.3
121.02847	35.6
122.03159	2.1
123.00752	0.3
124.03922	1.7
125.09616	1.1
135.04385	0.4
136.01544	0.8
137.02316	0.3
161.02365	0.4
163.11197	0.8
164.98209	0.5
165.05371	0.6
165.09047	0.5
165.12766	1.1
167.10693	0.8
177.96680	0.3
178.99733	0.3
179.03444	1.2
181.12277	0.5
191.10684	0.7
194.02145	0.5
194.05756	0.3
209.04498	3.5
209.11775	100.0
209.15363	4.7
210.04865	0.5
210.07794	0.4
210.12111	9.4
210.13976	0.6
210.15634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03330	3.5
59.01253	100.0
60.01584	2.0
66.96232	0.8
69.31681	2.7
69.32104	4.5
80.02531	1.3
81.03317	1.1
82.83739	0.7
83.04906	0.9
94.02880	0.8
97.06487	3.4
109.06475	3.1
121.02847	17.1
122.03154	0.9
124.03961	1.3
165.05234	0.7
165.12790	4.6
165.87253	0.7
209.04434	2.0
209.07837	0.8
209.11806	23.0
210.12112	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94301	1.1
57.03323	4.3
59.01252	15.5
62.13158	1.2
65.15645	1.3
69.03330	36.4
69.31210	9.4
69.31629	3.9
70.03638	1.3
71.04884	3.1
73.36095	1.3
80.02548	1.5
83.04890	6.0
93.03323	3.6
95.04885	3.5
97.06452	2.5
99.48618	1.1
108.05694	2.2
109.06477	3.5
110.03664	1.3
111.08031	5.7
121.02847	21.8
121.10117	1.9
127.07520	1.7
135.08017	3.1
139.07524	2.3
147.11697	2.5
153.09103	8.7
163.11215	6.8
165.09116	3.6
165.12741	26.6
173.09596	2.1
181.12262	25.4
182.12668	1.9
191.10701	30.5
192.11028	3.1
209.04462	2.9
209.11771	100.0
210.12054	8.2
227.08478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01761	2.3
57.03328	2.2
59.01249	1.4
69.03329	1.3
69.66196	2.7
71.01254	1.0
71.04906	0.8
80.02538	1.6
81.03331	5.8
83.01258	32.4
83.04897	5.5
83.83445	0.3
84.01581	0.9
84.02052	1.8
85.02836	0.4
92.99716	0.6
93.03343	0.8
94.02850	0.8
95.01277	0.7
95.04932	2.3
96.95911	0.4
97.02836	0.7
97.06470	5.6
99.04375	0.4
103.43664	0.3
106.04165	0.5
108.02105	0.5
109.06489	1.0
111.08039	0.8
120.02028	0.7
121.02848	52.0
122.03151	3.1
123.00770	0.5
123.08039	2.3
124.03973	1.6
125.06027	0.5
125.09621	25.5
126.09947	0.9
135.04372	0.8
135.08058	3.0
136.01581	1.0
136.05229	0.4
136.98730	0.5
137.02325	0.5
137.05981	0.8
137.09648	0.5
138.24146	0.3
142.02589	0.3
147.11679	0.9
153.12674	0.3
161.02402	0.4
161.09601	0.5
163.11206	12.6
164.11551	0.9
164.98282	0.6
165.05397	0.6
165.09177	0.5
165.12791	5.0
167.10718	0.5
169.08716	0.4
173.09639	0.4
179.03467	1.2
181.12245	2.4
191.08986	0.5
191.10715	9.5
192.11038	0.9
194.02177	0.5
194.05757	1.0
194.81493	0.3
209.04515	4.6
209.11774	100.0
209.15378	5.2
210.04797	0.3
210.07866	0.4
210.12114	9.8
210.15392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.3
57.03330	3.6
69.03328	1.0
70.00716	2.6
71.01238	0.5
71.04891	1.4
73.82684	0.5
80.02548	1.7
81.03320	6.6
81.29472	0.6
83.01257	39.4
83.04919	5.2
84.01576	1.0
84.02026	1.3
95.04893	2.4
97.06468	6.7
99.04367	0.7
109.06457	0.8
110.03638	0.7
111.08028	1.2
121.02847	7.9
123.08046	2.9
125.09607	31.6
126.09937	2.0
134.03610	0.6
135.08044	3.2
145.10147	0.7
146.32179	0.5
147.11679	1.5
163.11206	14.7
164.11520	1.2
165.12749	4.1
181.12251	2.1
191.10727	10.1
192.10986	0.9
192.48860	0.6
209.11766	100.0
210.12119	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	9.7
58.07119	0.9
59.01237	4.0
69.03321	3.3
69.40593	10.7
71.00890	2.0
71.01254	24.3
71.04873	1.9
73.02823	2.7
78.58081	1.2
80.02527	2.7
81.03329	5.0
82.97480	1.0
83.01253	3.2
83.04898	7.2
84.02039	1.5
85.02841	1.5
93.03320	2.6
95.04916	5.3
97.02795	1.1
97.06470	7.3
104.99155	1.1
106.18282	1.0
107.04910	1.3
108.02063	1.5
109.06479	2.5
111.03903	1.1
111.08023	6.0
121.02847	32.8
122.03175	1.5
123.08061	1.1
124.03938	2.8
125.09618	10.0
134.03673	1.4
135.08121	1.4
137.09651	1.9
142.43103	1.2
145.10133	4.3
147.11714	3.2
151.11191	42.8
151.12433	2.1
152.11525	2.7
153.12737	4.7
161.09517	1.4
163.11189	13.3
165.12761	25.1
166.13109	3.1
167.10736	1.8
173.09669	3.8
179.03429	1.2
179.10704	8.7
181.12262	46.1
182.12599	3.8
191.10707	23.8
192.11021	1.8
209.04492	3.3
209.11778	100.0
210.12138	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.03330	7.8
58.00473	1.8
59.01232	3.6
61.81274	0.8
69.03319	3.3
70.22092	3.1
71.01259	30.2
71.04884	1.8
72.01567	1.1
73.02807	2.2
80.02540	2.8
81.03357	5.1
83.01257	7.2
83.04896	6.2
84.02026	2.0
93.03319	3.1
94.02843	1.0
94.48041	1.1
95.04890	3.9
97.02805	1.2
97.06465	7.7
99.04391	1.6
108.02050	2.0
109.06439	1.8
111.08057	3.3
112.01535	1.3
121.02844	26.2
122.03194	1.9
123.08040	3.2
124.03921	1.3
125.02287	1.4
125.09634	13.8
126.09837	1.1
133.10120	1.2
134.03668	1.8
135.08054	3.2
137.09578	1.0
145.10143	4.2
147.11696	3.2
149.09604	1.6
151.11186	43.3
152.11525	4.2
153.09152	1.4
153.12770	3.9
161.09624	1.4
163.11235	10.5
164.98257	1.3
165.11377	1.4
165.12762	24.1
166.13057	2.2
167.10699	1.3
173.09604	4.3
179.03442	1.2
179.10658	5.6
181.12267	46.0
182.12581	4.2
191.10716	22.7
192.10921	1.2
209.04443	3.1
209.11772	100.0
210.12085	10.9
211.11424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.045
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
68.01308	0.4
69.70892	2.5
71.01287	0.5
73.02817	0.7
91.01772	0.8
94.02898	0.4
98.19884	0.7
101.53441	0.4
106.81818	0.4
120.02084	1.4
121.02845	100.0
122.03161	5.8
122.06014	0.4
124.03945	0.9
135.04398	0.4
136.01501	2.0
137.02309	1.0
150.05222	0.4
151.00230	0.5
151.03931	0.4
161.02386	0.6
163.03979	0.5
165.01819	0.5
173.16484	0.4
176.04605	0.3
178.99718	0.5
179.03419	1.3
179.43486	0.4
183.44862	0.4
189.35016	0.4
194.02213	0.8
194.05750	1.0
209.02708	0.6
209.04512	7.2
209.06363	0.7
209.08224	0.9
209.11690	2.3
210.04822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	46.6
59.03187	0.7
69.73537	1.8
69.73945	0.8
70.02852	14.1
72.00786	8.2
91.05406	15.2
92.05724	0.5
98.20494	0.8
110.11501	0.4
119.06873	0.4
135.04381	0.8
147.04427	41.2
148.04759	3.4
162.09135	0.8
164.07091	100.0
165.07433	7.3
206.08179	27.4
207.08517	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0505
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
51.48510	1.5
55.01749	3.5
57.03320	2.8
58.00468	6.4
59.01247	36.2
65.99718	2.2
70.92247	4.7
71.01253	25.4
72.99181	20.3
73.02811	16.1
75.00738	9.8
75.13170	1.8
77.54034	1.7
78.95776	2.6
83.01257	10.2
85.02837	5.8
87.00729	18.5
87.01203	2.1
89.02325	13.3
97.02800	2.5
99.00768	15.4
101.02309	10.2
101.99466	2.0
103.00215	3.0
109.02841	2.8
113.02322	5.2
115.00251	10.3
117.01820	100.0
118.02177	2.1
127.00253	12.8
129.01807	5.1
133.01321	12.9
147.02879	1.9
151.33067	1.9
161.07890	1.9
164.92624	3.2
177.01874	9.7
189.03993	2.8
192.00568	3.7
192.04266	2.4
207.05034	24.9
207.06760	2.9
208.02446	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
50.18862	0.5
58.02851	79.4
59.01256	1.4
59.03186	1.2
69.46068	4.5
70.02856	11.1
71.03149	0.5
72.00779	6.0
75.00770	0.8
80.71756	0.5
91.05415	9.0
97.56949	0.6
98.20518	1.1
99.08287	0.5
122.19727	0.5
135.04446	1.3
147.04424	33.7
148.04796	2.4
151.31279	0.6
162.09105	1.3
164.07086	100.0
165.07455	7.8
177.01869	1.1
192.04230	0.9
206.08173	37.5
206.12511	1.2
207.08519	2.9
207.10236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.60743	0.1
70.02667	0.5
72.99184	0.1
83.16325	0.1
83.33871	0.1
114.42719	0.1
115.64740	0.1
131.30908	0.1
149.09622	0.1
161.06082	0.1
162.89267	0.2
177.01733	0.1
189.12784	2.3
190.13123	0.2
205.15913	100.0
206.16254	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0863
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
59.01243	0.5
65.00197	0.5
69.78082	1.9
71.01234	0.5
73.13715	0.3
85.02827	0.5
91.01752	0.4
91.05406	0.3
93.03355	0.4
108.02066	0.5
109.02832	0.3
109.06482	2.2
115.00256	0.4
117.03296	0.3
121.02841	4.3
121.05110	0.4
122.03630	0.9
127.29250	0.3
131.08546	1.1
133.02867	0.6
133.06448	0.5
135.04385	0.3
135.08095	0.4
136.01543	0.4
149.02338	1.5
150.03125	37.6
151.03462	2.4
159.08058	3.8
160.08397	0.4
161.02362	0.7
161.05873	0.8
161.09676	0.5
162.89230	0.6
164.07097	0.5
175.07571	1.0
177.01826	0.4
177.05469	0.4
177.09108	2.8
178.09454	0.4
182.02122	50.8
183.02464	2.7
189.05447	1.0
190.02756	0.4
190.06279	3.4
190.99710	0.4
201.05417	0.4
203.07059	6.5
204.07431	0.7
205.01395	1.0
205.08635	100.0
205.15901	3.6
206.08998	9.8
206.16185	0.5
221.08139	6.0
222.08505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	7.2
57.03332	4.0
58.00448	8.0
59.01251	77.0
64.78471	3.6
68.99697	16.4
69.99213	19.8
70.86963	4.1
71.01254	81.3
72.99180	56.6
73.02833	13.2
75.00751	51.6
83.01273	13.7
85.02805	5.0
87.00755	66.3
87.04369	3.3
89.02317	11.1
93.26081	3.7
96.99193	7.2
99.00755	32.3
100.98704	4.3
101.02330	10.8
103.00282	16.3
111.00781	19.3
112.98688	14.1
115.00258	100.0
117.01823	14.9
124.98703	15.2
125.02324	8.4
127.00275	13.7
129.01859	20.4
130.99780	42.4
142.99719	21.2
143.07071	5.5
144.00581	9.3
145.01320	39.6
149.02339	4.7
154.99745	17.6
157.01363	11.1
161.02356	6.7
161.05988	5.5
163.11154	8.5
175.02385	10.1
178.64175	3.6
204.04327	4.2
205.01419	5.0
205.05145	11.7
205.08748	7.7
205.12248	13.7
205.15923	43.8
206.04283	10.4
206.16405	4.1
211.53375	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1069
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
59.01251	2.4
65.03831	0.4
66.01947	0.1
71.57832	0.3
78.08997	0.1
78.97832	0.2
79.05019	0.1
79.05393	0.9
91.05408	5.4
92.05781	0.3
93.03337	0.2
94.99191	0.2
103.91879	0.2
104.97639	0.8
106.04147	1.1
107.04899	2.6
107.08544	0.4
109.06480	4.3
110.06781	0.2
118.96629	0.2
119.04913	0.3
120.05683	0.4
123.04396	0.2
129.07010	0.4
131.04916	0.3
132.98131	0.2
133.02864	4.7
134.03636	45.3
135.04497	4.6
136.04781	0.2
147.04424	14.6
148.05212	20.8
149.05525	1.4
159.04430	7.8
159.08035	0.2
159.11714	3.7
160.05223	2.3
160.12039	0.3
160.89230	0.3
161.05766	0.3
161.09596	0.3
173.06003	1.0
174.99121	0.4
175.03949	0.2
175.07542	0.2
176.04691	0.2
185.09590	0.2
187.07593	1.2
188.08299	0.8
201.09137	0.3
202.94142	0.5
203.10715	100.0
204.02824	0.3
204.11063	9.5
220.07338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	8.5
59.01254	100.0
68.99692	19.0
71.01264	71.0
71.06313	19.9
72.99187	45.7
73.02821	12.6
75.00761	36.4
83.01243	10.5
85.02853	8.1
86.36539	6.1
87.00755	63.1
89.02284	7.1
96.70678	7.3
96.91340	7.6
96.99142	9.7
99.00759	25.9
99.04350	7.2
101.02338	12.6
103.00259	8.7
111.00737	48.4
112.98715	9.6
115.00272	65.2
117.01826	10.7
124.98698	13.3
125.02341	13.3
127.00330	10.7
129.01804	9.3
130.99701	10.3
145.01306	22.2
152.41020	7.0
154.99754	14.9
161.02400	11.2
175.02319	7.9
197.43274	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0821
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
57.03288	0.6
59.01251	1.0
61.12852	0.6
65.20763	0.6
70.32319	2.3
72.00784	24.3
74.02345	34.6
74.79484	0.6
88.52881	0.6
116.04952	100.0
117.05303	6.1
130.06520	2.9
132.08086	1.0
142.06531	25.5
143.06870	2.6
159.09195	14.1
160.09512	1.0
161.04799	0.8
161.65768	0.6
186.05553	2.9
203.08200	46.4
204.08592	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65219	0.9
55.01767	1.5
57.03318	4.0
58.02848	12.0
59.01233	3.7
60.33735	0.9
60.99181	2.4
62.44118	1.0
68.99660	1.1
69.03327	81.7
70.03662	2.2
70.90845	2.4
71.01252	51.3
72.99187	11.7
75.00751	6.8
79.01756	3.2
83.01272	2.4
84.04417	1.3
85.02827	13.8
87.00757	16.8
88.03947	1.5
95.01266	10.7
97.02832	99.0
98.03153	4.1
99.00784	5.6
100.03911	3.3
100.98643	1.6
105.01817	2.1
111.00789	5.2
113.02311	3.1
114.01850	1.9
114.05499	3.4
114.09144	1.8
114.17918	0.9
115.00256	11.9
115.03902	2.9
116.05299	1.3
116.07024	2.1
123.00764	4.9
124.07563	1.1
124.98524	1.1
127.00284	2.9
129.01811	7.3
138.05466	1.4
140.07065	5.7
141.01842	28.9
141.05467	1.4
142.02173	2.0
150.09496	1.1
158.08136	8.3
159.02924	1.6
159.04491	2.0
159.06546	1.0
162.07536	1.2
168.06516	1.6
173.09210	1.6
186.07664	6.8
197.21500	1.0
203.01910	100.0
204.02211	5.9
204.08714	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1238
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
58.02839	1.4
59.01255	2.5
71.06048	4.0
72.00765	6.2
74.02341	17.4
78.33643	1.2
82.02853	10.9
83.33780	1.4
84.04423	31.5
85.02828	1.5
86.02348	6.8
114.09158	7.9
116.03417	1.9
118.29966	1.2
126.09128	2.0
127.08659	7.9
128.03438	26.0
128.10725	2.7
129.10219	1.6
139.11176	1.6
140.10715	2.4
146.31516	1.3
153.10202	6.0
154.07394	1.3
155.11783	10.3
157.13382	20.9
158.13687	1.9
162.65616	1.1
181.09706	1.8
183.11319	98.8
184.11627	6.5
201.05528	1.8
201.12407	100.0
202.12717	8.3
207.20796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0715
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
55.01755	8.3
55.45755	7.1
57.03317	24.2
58.02844	63.9
59.01255	27.3
60.67879	6.3
62.64177	6.2
69.03316	38.5
70.02850	9.9
70.97149	14.6
71.01265	24.9
72.04428	24.6
75.00755	14.7
82.02864	9.3
84.04414	35.0
85.02817	22.1
85.81317	6.0
86.05994	28.3
87.00777	10.9
97.02831	32.0
98.02357	24.1
98.05988	40.7
98.62051	6.9
98.70426	6.0
100.03927	100.0
101.02382	8.7
102.68460	6.2
106.29205	7.1
108.04377	10.8
110.06013	12.4
112.07555	11.8
116.07053	98.3
128.07057	47.8
136.78458	6.5
138.05486	23.3
140.07072	51.6
156.06528	13.9
158.08171	55.5
186.11179	6.5
202.07141	53.3
203.01921	26.2
203.10719	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03321	7.2
59.01251	2.3
69.03351	0.8
69.43571	2.9
69.43997	2.2
83.04920	0.8
111.08049	4.5
127.24062	0.7
129.89542	0.5
129.93686	0.7
137.09615	2.2
139.11188	100.0
140.11519	6.8
141.93582	0.6
149.90012	0.6
157.12251	1.8
175.06232	0.6
183.10193	40.1
183.87044	0.5
184.10498	3.4
201.11266	80.3
202.11595	6.9
224.88115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03323	4.5
57.92387	0.4
59.01250	7.1
66.97067	0.4
69.03318	1.0
71.01254	0.6
71.19183	0.8
73.02815	0.4
80.02533	0.7
83.04898	1.4
93.17551	0.3
95.04911	1.1
96.49094	0.4
97.06465	13.2
98.06781	0.4
99.92474	0.6
123.08047	8.6
124.08469	0.4
125.09612	100.0
126.09956	5.8
127.11174	1.4
133.04004	0.4
137.09596	0.4
139.11209	2.4
141.93506	0.7
155.10701	0.8
160.05150	0.4
165.09125	0.7
169.08635	3.3
174.06477	0.6
175.06137	0.5
183.10185	1.1
187.09656	1.1
201.02249	0.6
201.05438	0.7
201.09325	0.9
201.11247	17.3
201.14696	0.7
202.11618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51945	1.4
69.79941	7.3
70.02841	4.0
70.31377	1.5
71.01252	3.3
72.04423	1.6
72.99187	5.9
78.59291	1.5
84.04428	5.7
87.83612	1.7
94.06439	1.9
95.04895	10.1
98.02364	20.9
98.19794	2.7
108.04450	5.1
110.02369	30.2
110.05993	7.6
111.04388	5.9
112.03928	13.4
112.07571	8.8
113.05973	4.1
123.03150	2.7
124.03956	6.5
126.05519	5.1
136.03958	9.7
138.05510	25.0
146.85493	1.7
154.05016	37.6
155.03470	8.1
156.06581	26.3
158.11693	1.6
159.37459	1.5
172.06081	3.0
182.04520	36.9
183.04846	2.0
200.05598	100.0
200.12862	7.0
201.05894	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.60068	0.2
57.03327	1.3
58.00471	3.3
59.01250	4.6
69.03312	0.3
69.64866	1.1
71.01246	0.5
71.04890	0.3
73.02825	1.3
79.59810	0.2
83.04903	0.2
85.02816	0.3
95.04908	0.2
97.06471	0.8
98.90316	0.2
99.92475	0.4
109.06450	0.2
123.08073	0.7
123.23175	0.2
125.09618	9.5
126.09933	0.6
127.11189	15.4
128.11540	0.9
137.09618	2.6
139.11188	2.6
140.11557	0.3
143.10646	0.3
143.96269	0.2
153.09109	0.8
155.10701	5.6
156.11061	0.4
157.12292	1.0
165.09129	5.8
166.09459	0.3
171.10188	5.4
173.05974	0.4
173.11656	0.2
183.10211	2.6
183.25343	0.2
199.09705	4.5
200.10091	0.3
201.11264	100.0
202.11607	8.0
208.04196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85315	3.9
54.49137	3.8
57.03303	4.7
59.01252	10.0
69.03326	8.5
70.02853	5.7
71.01244	10.3
71.56195	6.1
71.56580	4.5
72.99170	9.6
73.02831	5.4
75.00755	6.1
83.04914	7.1
84.04400	5.4
87.00726	4.3
92.09596	3.6
94.02847	6.7
94.06486	5.8
95.04889	12.5
96.04420	6.1
97.02827	9.3
98.02347	30.4
99.61514	3.8
100.10657	4.3
110.02381	40.8
110.06024	5.3
111.04418	7.1
112.03941	20.5
112.04613	4.6
112.07554	13.5
113.05981	5.0
116.07088	5.0
122.02329	5.9
123.03149	8.8
126.05504	9.5
136.03952	10.8
138.05505	25.2
139.11134	10.9
154.05029	49.7
155.03404	9.7
156.02969	3.9
156.06529	37.2
182.04530	33.6
183.04799	4.1
192.55598	4.0
197.13081	3.8
200.05594	100.0
200.12901	4.7
201.02013	4.9
201.03941	6.3
201.05779	10.2
201.11278	9.6
214.05080	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71601	7.5
59.01249	18.2
61.32033	6.8
66.03354	9.2
69.84232	46.2
70.02859	15.3
71.01257	13.6
72.04406	8.8
72.99172	10.7
75.00731	6.8
83.04896	13.4
84.04421	14.9
86.50704	7.3
95.04909	19.5
98.02364	48.2
108.04449	11.4
110.02364	69.9
110.05994	23.1
111.04384	11.5
112.03921	18.6
112.07571	17.1
124.03960	11.5
125.09654	8.3
126.05460	19.0
136.03903	24.8
138.05513	41.1
142.86371	8.1
154.05005	51.0
155.03386	7.9
156.06537	27.0
182.04530	57.8
189.55826	7.0
200.05573	100.0
200.12811	28.3
200.17401	9.2
201.05583	11.4
201.11203	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03316	0.8
58.00460	0.4
59.01242	1.1
66.55216	0.3
67.42904	0.3
69.03323	0.4
70.42306	1.3
75.16454	0.3
83.04868	0.4
83.66345	0.4
88.10930	0.4
95.04963	0.4
97.54819	0.3
99.79723	0.3
103.44249	0.3
137.09700	0.5
155.10661	0.5
161.09804	0.4
163.11205	1.9
169.12260	7.2
170.12595	0.6
181.12260	25.2
182.12636	2.1
197.11751	2.3
199.13333	100.0
200.13693	7.4
202.66206	0.3
206.77898	0.3
215.94044	0.4
216.09943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0971
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.02173	0.4
57.03321	1.4
59.01249	1.2
65.01300	0.9
65.99696	0.6
66.00827	0.4
67.05415	0.4
69.03339	2.0
71.01250	0.5
73.02831	0.7
78.91772	0.7
83.04890	0.7
99.00745	0.5
99.08086	0.5
111.00779	0.6
130.04041	1.2
131.03564	0.6
137.09605	7.0
138.09982	0.6
139.11205	0.5
141.12799	0.5
155.10689	100.0
156.11012	6.8
157.05153	0.7
158.03508	0.5
169.12274	0.9
172.05023	1.0
173.04631	1.2
199.03862	0.5
199.06056	0.7
199.07901	0.5
199.09688	7.9
199.13353	5.3
199.17017	1.9
200.09950	0.6
208.25017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03334	1.6
58.00463	0.8
59.01255	1.3
65.01304	0.9
65.99728	0.3
66.00847	0.3
67.01759	0.4
67.05415	0.3
68.99684	0.5
69.03339	1.5
71.01277	0.4
71.04910	0.3
72.99222	0.3
73.02823	0.7
83.04894	1.2
85.02822	0.4
91.02889	0.5
99.00718	0.6
99.08054	0.5
105.79474	0.3
109.06459	0.3
111.04405	0.7
119.08553	0.4
125.05991	0.4
125.09625	0.8
127.11198	0.3
130.04012	0.5
131.03548	0.4
134.03574	0.4
136.98726	0.3
137.09619	8.3
138.09975	0.4
139.07600	0.3
140.02509	0.2
141.12729	1.0
145.05067	0.3
153.09129	0.5
155.10686	100.0
156.11020	7.5
156.89438	0.4
157.05086	0.7
158.03511	0.4
169.12230	1.7
171.10172	1.3
172.05052	0.8
173.04552	0.7
181.05019	0.3
181.08646	1.2
182.57298	0.3
193.30876	0.3
199.04239	0.4
199.05896	1.3
199.07918	0.3
199.09702	8.8
199.13336	5.5
199.16948	3.4
200.05811	0.3
200.10030	1.1
200.12926	0.4
200.17345	0.5
205.93852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.154
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
57.03315	3.8
58.21836	0.7
59.01242	4.1
60.39256	0.8
65.00211	1.2
66.03379	0.9
69.03333	2.7
71.04887	2.6
71.58116	0.9
71.58479	1.1
80.02554	2.1
81.03321	5.0
83.04898	15.0
85.06428	0.8
87.00761	0.9
93.03353	1.0
95.01259	2.2
95.04887	7.2
97.06468	33.4
98.06773	1.5
107.04906	1.5
109.02831	2.6
109.06455	3.6
110.06803	0.9
111.08041	29.5
112.00343	0.9
112.08363	1.4
121.02846	1.0
123.00767	9.3
123.08012	1.5
125.02330	1.8
126.90390	1.7
135.08025	1.1
137.09624	2.7
138.03110	1.4
147.11693	3.5
149.09602	2.6
151.07370	0.8
153.01828	1.4
153.05447	1.2
153.12718	2.4
160.84108	18.2
160.85338	1.6
161.84143	1.2
162.83823	47.1
163.11200	9.6
164.11476	1.1
165.12762	100.0
166.13110	8.6
166.99789	6.2
169.12230	0.9
178.99806	1.5
182.02112	8.3
183.02441	0.9
197.02101	0.9
197.04453	3.9
197.06190	1.7
197.08134	2.8
197.11746	7.3
197.15300	2.5
197.80737	26.1
198.03900	1.3
199.32936	0.8
208.41724	0.8
209.11713	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78070	0.4
57.03307	0.7
59.01244	2.1
65.01339	0.6
68.40405	0.4
69.03311	3.1
71.04875	2.0
71.07852	1.3
76.69202	0.4
83.04884	1.4
85.62788	0.4
95.01273	1.2
104.07922	0.4
109.02843	0.8
109.06542	0.5
111.04355	0.5
112.01530	1.7
121.02850	1.1
123.00790	3.6
123.08036	0.6
125.02323	1.0
125.09612	1.5
137.02318	0.6
137.09535	0.6
138.03134	0.7
141.09140	1.3
144.79285	0.4
151.11209	1.1
153.01790	0.6
153.05463	0.8
153.09111	1.3
153.12756	4.7
154.13113	0.6
156.05560	0.6
162.83813	1.0
166.99785	2.9
169.12259	12.1
170.12589	1.1
171.06653	1.2
179.10590	2.1
182.02116	5.1
197.04478	1.3
197.06003	2.3
197.07968	2.4
197.11766	100.0
197.80743	0.5
198.04047	0.7
198.07835	0.9
198.12103	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.57273	0.4
59.01246	1.2
65.01323	0.4
66.04840	0.4
66.35094	0.4
69.03337	2.7
73.47653	0.4
83.04903	1.4
92.16166	0.4
95.01262	0.5
98.19788	1.1
105.58768	0.4
112.01514	0.5
121.02892	0.6
123.00765	1.4
123.08009	0.7
125.02357	0.4
127.62035	0.4
138.03140	0.5
141.09140	1.5
151.11197	0.7
153.09142	1.9
153.12740	4.8
158.91339	0.4
160.84184	0.5
162.83772	0.8
166.99797	1.5
167.10689	0.5
169.01317	0.6
169.12253	20.4
170.12584	1.4
171.06561	0.5
179.10718	1.9
182.02155	2.4
197.11765	100.0
197.80797	0.6
198.12112	8.7
212.82341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89861	0.2
53.15092	0.3
55.61009	0.2
57.03315	0.3
59.01257	1.2
69.03322	2.6
71.01271	0.5
71.05839	0.6
71.06176	0.3
80.02564	0.3
81.03326	0.3
81.99255	0.2
83.04893	1.4
94.37078	0.2
95.04886	0.3
96.63234	0.3
97.06459	0.5
99.07994	0.3
99.50160	0.3
100.81356	0.2
109.02915	0.3
109.62554	0.3
112.08974	0.2
116.92711	0.5
123.00774	1.5
123.08068	0.7
125.02364	0.2
125.09608	0.8
126.90409	0.4
130.99197	0.4
141.09093	1.4
147.69954	0.2
151.11197	1.2
153.05482	0.3
153.09149	2.1
153.12752	5.6
154.13052	0.2
160.84129	2.3
161.09641	0.4
162.83821	5.6
166.99763	1.3
167.10629	0.3
169.12257	21.2
170.12605	1.6
179.10675	2.4
182.02126	2.0
197.11765	100.0
197.80717	2.5
198.12093	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01250	1.6
69.03328	2.8
70.91519	0.7
83.04895	1.3
97.06480	0.4
99.07959	0.4
116.92751	0.5
123.00771	1.1
123.08032	0.6
124.56072	0.3
125.09579	0.6
129.07483	0.4
138.03130	0.4
139.10066	0.4
141.09138	1.4
151.11197	1.0
153.09131	2.0
153.12753	6.2
154.13086	0.4
160.84102	2.1
162.83821	5.3
166.99814	0.7
167.10835	0.3
169.12260	22.4
170.12585	1.7
179.10674	1.7
182.02132	1.2
195.50027	0.3
197.11769	100.0
197.80756	1.9
198.12115	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.13176	0.3
53.15335	0.4
53.62744	0.4
56.55679	0.4
57.03308	0.5
59.01251	1.1
67.01740	0.5
69.03326	1.0
71.01271	0.4
71.04888	1.5
71.57869	0.7
71.58219	0.4
77.11395	0.4
83.04889	1.1
94.04140	0.6
95.01260	1.1
95.04920	1.0
97.06469	19.3
98.06796	0.6
99.08035	4.7
107.04913	0.6
109.02830	1.1
109.06490	0.8
111.04367	0.4
111.08065	0.6
116.92760	0.8
121.02857	0.8
122.03625	2.9
123.00780	3.7
125.02283	0.9
125.09616	1.2
126.03106	0.7
126.90416	0.6
135.08012	0.7
137.02327	0.7
137.09619	2.3
138.03122	1.1
151.11227	1.1
153.05487	0.7
153.12756	100.0
154.13101	8.7
160.84125	5.4
162.83826	13.7
166.99770	3.1
169.12286	0.8
171.06842	0.5
179.07224	0.7
179.10698	20.4
180.11012	2.0
182.02126	5.0
197.02017	1.2
197.04524	1.4
197.06224	0.4
197.08105	1.4
197.11772	12.6
197.15459	1.5
197.80754	6.0
198.04025	0.5
198.12114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01246	5.7
74.80363	0.6
97.02851	0.6
97.06474	0.7
123.00742	1.6
123.04421	1.0
137.02318	1.2
150.03035	1.2
151.03896	1.9
160.84134	7.6
165.01843	1.9
165.05418	1.7
167.07080	0.9
177.12770	4.2
180.04237	1.2
185.21558	0.7
186.11739	0.7
194.99217	0.8
195.02928	0.9
195.04489	2.8
195.06644	1.7
195.13829	100.0
195.80989	3.1
196.06131	1.0
196.14154	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.50259	0.7
59.01247	6.7
66.03322	0.7
68.22773	0.6
83.04879	0.7
100.16142	0.7
107.04961	0.9
115.85376	0.7
121.02853	1.4
122.03653	0.9
123.00755	1.2
123.04389	1.0
136.05199	1.4
150.03169	2.4
151.03920	2.1
152.42110	0.7
152.91669	4.3
152.94388	1.0
160.84125	12.4
165.01897	1.7
165.05421	1.6
167.65291	0.7
167.90413	2.1
177.12798	5.4
180.04199	2.8
192.48230	0.7
194.92781	1.3
195.02884	0.8
195.06569	2.5
195.13850	100.0
195.81133	3.5
196.14236	8.7
199.48260	0.7
212.93785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19380	1.2
54.00760	0.9
55.01758	1.2
57.03324	6.5
58.00455	1.9
59.01251	25.4
59.75579	1.0
65.99721	3.9
67.01755	1.4
67.58042	1.0
68.01282	1.1
68.23363	1.0
68.99696	2.1
71.01255	20.2
72.56268	1.0
72.99179	14.8
73.02824	3.3
75.00745	71.4
76.01064	1.1
78.95774	1.1
80.96396	12.0
81.45092	1.0
83.01236	6.2
85.02824	11.4
87.00752	81.9
88.01093	1.5
89.02319	14.2
91.57275	1.0
96.96848	1.7
97.02828	1.4
99.00758	8.3
101.02315	4.7
105.01819	100.0
106.02167	1.3
109.02837	1.5
110.02372	2.8
111.00767	10.2
113.02314	2.9
117.01813	1.7
123.00751	2.6
125.02353	1.5
129.01834	51.9
130.02150	2.8
138.01807	1.6
139.00250	3.5
141.01857	2.5
143.71080	1.2
147.02896	41.3
148.03172	2.0
150.01913	1.8
150.03107	2.3
151.00317	1.5
151.03896	1.9
159.02930	2.8
160.84126	63.3
165.01820	1.5
165.03958	2.1
165.05347	1.3
166.01305	1.5
177.03964	26.7
178.01344	3.2
178.04277	1.3
180.04224	1.8
195.05034	65.8
195.81044	19.6
196.02454	2.3
196.05434	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0293
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
52.08656	0.3
58.02830	0.3
65.00187	1.3
65.01319	0.4
68.99659	0.4
69.03305	0.4
70.52402	0.3
80.02549	1.2
81.03357	0.4
91.01771	80.4
92.02110	4.2
93.03345	0.4
95.01254	0.5
97.09665	0.3
107.01262	1.4
108.02054	3.9
110.02337	0.3
121.02855	0.7
122.03655	2.0
123.00748	0.8
123.04366	0.8
135.00777	69.9
136.01450	2.9
137.02332	0.6
139.07260	0.4
140.49132	0.3
142.04028	0.4
150.03169	1.1
151.03928	1.0
151.07500	0.4
151.11176	0.4
151.92775	0.4
152.03441	4.0
152.91679	0.4
153.01842	100.0
154.02187	5.5
163.00272	15.5
164.00523	0.4
164.03458	0.6
165.01840	1.3
165.05502	0.9
167.03455	0.5
167.06996	0.4
169.05135	1.2
177.05417	0.6
180.04179	1.6
181.03775	1.1
195.02917	44.2
195.04396	1.5
195.06549	2.6
195.10193	1.5
195.13832	0.6
196.03416	2.9
196.06099	1.8
197.31705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
59.01252	4.5
60.99176	0.3
67.01762	1.9
67.79325	0.2
69.03333	1.3
70.32288	1.1
71.01248	2.9
72.99176	0.4
73.02821	1.3
73.31147	0.2
81.03333	1.8
83.04904	1.5
85.02824	33.1
86.03166	1.1
87.00755	7.0
91.01771	0.4
93.03339	10.7
94.03648	0.6
95.01276	0.4
98.89205	0.2
99.00751	0.3
99.04386	1.6
105.94021	0.2
108.02020	0.3
109.02846	2.8
110.80850	0.2
111.00771	0.6
111.04411	3.2
113.02328	0.5
119.01255	0.4
125.02348	0.3
127.03907	6.4
137.02373	0.5
143.03336	0.3
147.04459	0.3
148.01523	0.6
153.01822	0.2
163.00256	0.8
171.02925	1.6
173.04492	2.7
176.01060	1.6
191.05544	100.0
192.05864	6.2
209.73592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
52.88458	0.2
55.01756	0.3
55.35208	0.2
57.03314	0.9
58.00457	0.2
59.01252	4.5
60.99157	0.2
65.03858	0.2
67.01752	1.6
69.03336	1.0
69.25224	0.4
69.25632	2.0
71.01258	3.0
73.02819	1.6
81.03330	1.2
83.01286	0.3
83.04906	1.5
84.34608	0.2
85.02828	34.9
86.03155	1.3
86.21465	0.2
87.00755	7.1
93.03338	11.3
94.03675	0.7
95.01268	0.7
98.10695	0.2
99.00756	0.5
99.04398	1.4
101.02296	0.3
104.02553	0.8
108.02058	1.0
109.02845	2.7
111.00770	2.6
111.04410	3.5
112.04804	0.2
113.02330	0.5
121.02861	0.5
121.68744	0.2
121.74986	0.2
125.02313	0.3
127.03905	6.7
128.04205	0.3
131.71005	0.2
134.03514	0.2
137.02371	0.4
143.03496	0.3
147.04468	0.3
147.08028	0.2
148.01555	0.7
148.05000	0.2
153.01819	0.3
155.03368	0.4
163.00311	1.0
171.02885	1.5
173.04492	2.7
176.01079	4.3
177.01442	0.4
191.05554	100.0
192.05884	5.4
201.21645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0556
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03311	0.8
59.01250	4.3
59.10886	0.2
67.01759	1.8
69.03320	1.2
69.79676	1.6
71.01257	3.0
72.99191	0.4
73.02818	1.3
81.03342	1.4
83.04913	1.6
85.02824	33.0
86.03144	0.6
87.00751	6.9
93.03335	11.1
94.03665	0.4
95.01282	0.5
98.19868	0.4
98.84248	0.3
99.00739	0.3
99.04388	1.7
101.02319	0.4
103.67845	0.2
104.02535	0.4
108.02051	0.4
108.57557	0.2
109.02839	3.0
111.00764	1.0
111.04401	3.1
113.02326	0.6
122.03535	0.3
127.03906	6.0
128.04178	0.3
129.01823	0.2
137.02345	0.4
148.01573	0.7
153.01871	0.3
155.03358	0.3
163.00258	0.4
171.02907	2.0
173.04466	2.5
173.83350	0.3
175.15382	0.2
176.01088	2.7
191.05539	100.0
192.05882	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03322	1.2
59.01250	4.7
60.99173	0.3
67.01760	1.6
69.03323	1.1
70.32056	0.9
71.01250	2.8
71.04918	0.2
72.99191	0.2
73.02824	1.3
76.15967	0.2
81.03335	1.7
83.04898	1.9
84.02022	0.3
85.02826	35.0
86.03153	1.0
86.14664	0.2
87.00755	6.5
91.01792	0.3
93.03341	10.4
94.03664	0.6
95.01273	0.4
99.04388	1.5
101.02335	0.2
108.02069	0.3
108.36891	0.2
109.02845	3.5
111.00753	0.4
111.04395	2.7
113.02312	0.2
115.03954	0.3
125.02293	0.2
127.03901	5.0
128.04265	0.3
137.02353	0.5
143.03328	0.3
149.92967	0.2
155.03455	0.3
158.32156	0.2
159.00090	0.2
163.00276	0.8
171.02908	1.5
173.04478	2.3
176.01108	0.4
191.05544	100.0
192.05898	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
51.34913	0.2
57.03322	6.3
59.01249	5.6
67.01766	3.3
68.99706	0.4
69.03324	1.2
71.01251	4.5
72.99178	1.0
73.02797	1.6
77.48502	0.3
81.03335	1.7
83.01262	0.4
83.04893	1.7
85.02824	52.3
86.03159	1.9
87.00752	40.8
88.01098	1.3
89.37298	0.3
93.03332	9.7
94.03664	0.7
95.01276	0.5
98.20673	0.6
99.00764	1.3
99.04395	1.0
101.02338	1.1
109.02834	2.5
111.00764	70.7
111.04366	2.6
112.01099	2.8
112.98695	1.9
113.02325	0.8
115.00275	0.3
127.03899	5.1
129.01820	4.0
129.05446	0.4
130.99783	0.4
137.02338	0.5
147.02945	0.3
153.01813	0.4
154.99730	0.4
171.02933	1.7
173.00909	0.9
173.04465	2.8
176.01112	0.7
185.18269	0.3
191.01973	6.3
191.05536	100.0
192.05875	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	6.0
59.01248	4.9
62.15020	0.3
64.64154	0.3
67.01747	3.0
69.03310	0.7
69.43021	0.4
71.01249	5.4
71.13771	0.6
71.14109	0.6
73.02817	1.8
74.89908	0.4
78.51940	0.4
81.03342	1.7
83.01251	0.4
83.04904	1.5
85.02824	51.5
86.03167	1.4
87.00752	40.8
88.01080	1.2
93.03335	9.7
99.00746	0.6
99.04392	1.2
101.02325	0.6
109.02837	2.8
111.00767	56.7
111.04396	3.1
112.01073	2.1
112.98699	2.1
113.02334	0.5
114.91977	0.4
127.03915	5.4
129.01828	2.9
137.02396	0.4
144.61247	0.4
146.16019	0.5
148.01585	0.4
155.03386	0.5
171.02878	1.7
173.00810	0.8
173.04445	2.8
176.01076	1.6
191.02066	3.8
191.05548	100.0
192.05908	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.3
58.00456	0.4
59.01249	6.3
63.06438	0.4
67.01761	4.5
69.03320	1.6
70.91806	1.2
71.01253	3.6
72.99168	0.7
73.02811	1.7
75.36589	0.3
81.03326	1.3
83.04887	1.7
83.69624	0.3
85.02823	57.2
86.03163	1.6
87.00752	46.8
88.01077	0.8
93.03335	12.7
94.03676	0.5
94.38503	0.4
97.02843	0.4
99.00789	0.9
99.04404	1.2
101.02319	1.1
109.02823	3.1
111.00764	69.9
111.04382	3.0
112.01107	2.2
112.98676	0.7
113.02319	0.6
113.13695	0.4
115.09271	0.4
126.07608	0.4
127.03907	5.8
128.04208	0.6
129.01836	3.4
130.99712	0.5
137.02328	0.6
140.25343	0.4
143.89220	0.4
147.02826	0.6
154.99811	0.4
155.03410	0.5
171.02910	1.4
173.00806	1.0
173.04451	2.9
176.01062	0.7
191.01990	5.2
191.05537	100.0
192.05882	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0915
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
50.18132	0.3
59.01253	0.8
65.01311	1.3
65.19960	0.3
65.99718	1.1
69.33125	3.0
91.02905	0.3
93.03329	0.4
97.49773	0.3
105.04482	0.4
106.04017	1.4
106.60619	0.3
107.02443	0.6
109.02869	0.4
117.03355	1.0
118.03989	0.3
119.02409	0.7
119.04936	0.4
120.01954	0.3
120.04446	1.3
120.05579	0.9
121.02803	0.4
121.03957	0.6
127.48937	0.3
130.04016	0.3
132.05568	0.4
133.02867	0.5
134.03633	100.0
135.03972	6.2
135.79855	0.3
136.04103	0.3
145.02852	1.0
145.06563	0.5
146.02397	0.5
146.03610	1.6
146.07133	0.5
147.04398	0.4
147.05547	0.4
147.06639	0.9
147.08041	0.6
148.05106	1.8
159.04413	2.7
161.02357	0.9
162.02995	0.6
162.06618	0.9
163.05028	0.6
164.03485	0.9
166.02640	1.1
171.08026	0.8
171.10222	0.7
173.06006	1.6
174.03091	0.4
174.06799	3.0
189.01793	0.8
189.05516	1.3
189.09142	60.8
190.01311	0.4
190.09500	6.0
206.39508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0914
Annotation	3-Dimethylallyl-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.60449	0.3
61.54192	0.3
65.03852	0.3
67.01785	0.3
69.75258	0.3
69.86466	1.4
79.05403	12.1
80.05751	0.5
81.90318	0.3
94.64628	0.2
95.04944	0.3
95.29217	0.3
105.06963	0.5
107.04910	40.1
108.05251	2.0
117.03337	0.3
120.04442	1.0
121.02876	0.4
129.07005	0.9
130.20070	0.2
133.06458	0.6
134.03627	6.0
135.03992	0.4
136.05124	0.3
143.08569	1.1
145.02870	0.4
145.10146	3.5
147.08052	0.9
149.06044	0.4
158.03592	0.3
159.04384	2.2
161.02357	0.5
161.06004	0.3
162.03157	2.9
163.03864	0.6
164.03392	0.4
166.02625	12.8
167.02989	0.8
171.08076	4.1
173.05998	14.9
174.06764	5.7
175.07144	0.6
187.07602	1.2
189.09140	100.0
190.09477	9.9
206.05771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33969	0.3
54.17667	0.3
59.01246	1.1
62.91715	0.3
65.01308	0.4
65.03838	0.4
71.01278	0.3
71.35474	0.4
77.11572	0.3
77.23132	0.3
78.84393	0.3
79.05405	11.3
79.95608	0.6
82.31660	0.3
90.31718	0.3
105.06949	0.4
106.04003	0.6
107.04912	36.0
108.05258	1.8
109.06443	0.4
117.03348	1.3
120.04441	2.2
120.05561	0.6
121.02849	0.7
127.27794	0.4
129.07022	0.6
129.36069	0.3
130.04095	0.4
131.42760	0.3
133.06512	1.1
134.03642	5.6
136.01512	0.6
136.05157	0.4
141.47580	0.3
143.08566	0.8
145.02809	0.8
145.06546	0.5
145.10156	2.8
146.02374	0.4
147.06680	0.8
147.08066	0.6
148.05040	0.9
149.06035	0.4
159.04424	1.3
161.02322	0.7
161.09610	0.4
162.03166	2.8
163.03802	0.6
164.03426	1.0
166.02649	12.3
167.03030	0.6
170.88884	0.4
171.08078	2.8
173.06015	14.0
173.07542	0.7
174.03098	0.4
174.06798	4.8
182.06825	0.3
187.07559	1.2
189.01846	0.9
189.05716	2.1
189.09151	100.0
190.01361	0.7
190.09506	10.1
206.05841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1384
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.06287	0.4
51.76121	0.4
55.40493	0.4
56.21931	0.4
59.01258	0.8
61.58216	0.5
64.98852	0.5
67.01765	0.9
69.03312	0.8
69.39951	0.6
69.40354	4.1
72.27161	0.4
72.76054	0.5
76.36961	0.5
78.40099	0.4
81.05858	0.4
89.01311	0.4
98.20603	1.1
111.00743	1.4
112.54971	0.5
121.06506	0.5
123.00754	0.7
124.01582	1.3
136.98753	1.0
139.00266	1.4
139.11157	0.7
140.01062	2.2
143.04733	0.4
156.05609	1.0
157.05093	1.6
168.00534	3.2
169.98219	0.5
183.02914	13.1
183.04465	3.8
183.10513	2.7
183.13837	100.0
184.03278	1.0
184.14188	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03322	4.4
59.01226	0.1
65.01318	0.5
65.99726	0.3
69.03326	0.8
69.53649	1.1
71.04891	0.3
80.02547	0.4
83.04910	0.7
91.02882	0.2
95.04898	1.2
97.06467	14.7
98.06824	0.7
98.19802	0.3
101.54540	0.1
106.04012	0.2
118.04021	0.1
123.08051	7.4
124.08421	0.4
125.09612	100.0
126.09948	7.1
127.11205	0.1
128.24205	0.1
130.04044	0.1
133.03987	0.4
143.10669	1.7
144.04393	0.3
144.05531	0.2
144.11050	0.2
146.03522	0.2
147.04187	0.2
160.05075	0.8
169.08604	2.1
171.08055	0.4
176.24455	0.2
187.06247	0.9
187.09682	33.9
187.11108	1.4
187.13141	1.8
188.10033	2.9
188.11488	0.1
203.87408	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.03158	0.4
57.03325	0.4
59.01251	0.6
64.39390	0.4
69.03312	0.4
69.37474	3.0
69.37883	1.1
72.78041	0.4
82.21455	0.4
83.04907	0.6
93.03288	0.6
95.01273	0.6
97.02766	0.4
97.06488	0.5
98.30371	0.4
111.00794	2.2
111.04373	0.6
112.03910	0.5
123.00703	0.4
124.01539	1.4
124.03972	0.5
124.98602	0.4
127.62321	0.4
136.98669	0.9
139.00279	1.4
139.07527	0.7
139.11182	0.6
140.01079	2.4
142.04059	0.4
143.04779	0.9
152.98186	0.5
156.05545	1.6
157.05086	1.9
167.07681	0.5
168.00543	3.6
168.04256	0.4
183.00465	0.6
183.02905	10.8
183.06602	2.3
183.10477	2.8
183.13826	100.0
184.03235	1.3
184.06122	0.9
184.14174	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0555
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.01775	2.3
57.03316	2.7
59.01250	33.2
63.76842	1.0
69.03323	6.6
70.49482	0.8
70.97649	2.3
71.01254	39.2
72.99199	6.7
73.02818	10.0
75.00747	21.8
79.01748	1.0
81.03326	3.0
83.01265	7.9
85.02824	23.7
87.00751	100.0
88.01098	1.6
89.01823	1.5
89.02323	14.2
95.01261	4.1
97.02831	9.4
99.00764	27.3
100.01077	1.2
101.02327	12.3
105.01809	1.3
111.00825	1.6
113.02335	6.0
117.01817	16.6
125.02342	15.2
126.02647	1.0
129.01801	2.3
141.01825	8.4
143.03456	1.0
159.02855	4.5
161.00856	1.3
161.04463	52.1
162.04797	2.5
177.03908	1.3
179.05530	51.0
180.05890	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.85031	0.3
69.12051	0.3
71.28593	0.8
71.28944	0.3
108.49009	0.3
139.10278	0.3
140.01131	0.4
168.00606	0.4
183.02917	1.3
183.13834	100.0
184.14174	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03310	0.9
58.00454	0.4
59.01249	4.8
63.02270	0.6
64.30209	0.3
65.00218	0.3
65.01278	0.3
65.99729	0.6
69.03333	1.7
70.09574	1.1
71.01254	8.2
72.99169	0.6
73.02819	3.1
74.46310	0.2
75.00746	2.3
79.01752	0.3
83.01275	1.7
85.02830	5.8
87.00755	26.9
88.01089	0.8
89.02316	1.9
89.03819	0.6
91.01778	0.6
91.05418	0.8
93.03336	1.0
94.02870	0.5
95.01268	1.0
97.02841	2.5
99.00761	6.7
100.01106	0.3
101.02321	3.3
106.04079	0.6
107.01269	1.2
107.04926	4.1
108.02045	0.6
109.02848	1.1
110.02363	0.3
111.00739	0.4
113.02335	1.6
117.01837	4.6
117.03365	1.0
121.02839	1.1
123.00790	0.4
123.04432	0.7
125.02325	3.2
126.02724	0.3
129.01855	0.8
130.09819	0.3
134.03650	9.8
135.04420	100.0
136.01575	0.5
136.03828	0.6
136.04761	6.6
137.02383	0.5
141.01863	2.4
146.03656	0.6
151.00250	0.6
151.03882	0.5
151.07562	1.5
159.02913	1.2
161.04469	12.4
161.05830	0.6
162.04868	0.7
164.01103	1.8
169.01369	0.7
177.04001	0.7
178.99911	1.5
179.01892	0.5
179.03436	11.8
179.05551	12.1
179.07042	1.7
179.10745	0.8
179.99640	0.3
180.02869	0.3
180.03958	0.6
180.05917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0185
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
59.01251	0.8
67.01720	0.8
67.20564	0.6
68.99681	0.6
70.12141	0.6
71.01268	0.9
71.15292	1.5
77.03830	1.7
81.03333	2.7
87.00777	1.0
89.03841	12.5
90.04179	0.8
93.03339	4.5
93.66283	0.6
95.04913	2.5
101.61057	0.6
105.03345	20.3
106.03615	0.8
107.01315	0.6
109.02853	0.8
121.02831	5.6
123.04414	1.2
131.45155	0.7
133.02847	37.5
133.06505	1.0
134.03278	2.3
135.04413	2.4
136.04758	1.4
137.02325	1.4
139.03903	1.7
149.02354	8.0
162.03142	7.9
177.01852	100.0
177.05312	2.0
178.02229	8.2
179.03346	1.0
180.03769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21539	0.2
65.00197	0.3
65.47590	0.2
66.55619	0.3
70.32511	0.3
70.32848	1.1
71.01263	0.5
77.03848	0.9
81.03328	3.4
82.03671	0.2
84.21668	0.3
87.00771	0.4
89.03847	12.1
90.04197	0.6
91.01742	0.3
93.03333	2.1
95.04909	1.6
105.03348	16.7
106.03693	0.9
109.02833	1.1
121.02873	1.7
123.04453	0.6
133.02856	34.5
133.06467	0.6
134.03180	1.9
135.04404	0.5
139.03940	1.0
149.02353	5.7
150.02705	0.4
151.00360	0.3
162.03117	3.3
163.03490	0.3
177.01859	100.0
178.02223	6.5
199.03493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07516	0.6
58.07357	0.7
59.01245	1.4
65.01336	0.7
69.50588	5.0
69.50993	1.4
71.01273	1.6
72.51682	0.6
75.00753	1.1
81.03338	2.4
87.00748	0.8
89.03843	8.1
93.03333	1.9
95.04931	1.1
99.00767	0.8
103.92620	0.7
105.03352	15.6
106.03636	0.7
109.02871	1.4
121.02854	3.2
133.02853	32.1
133.06503	1.5
134.03276	1.5
135.04411	2.8
136.04750	1.4
149.02332	4.9
161.02383	0.6
162.03143	11.4
163.03419	0.7
177.01862	100.0
177.05467	2.8
177.09132	2.1
178.02240	5.6
178.04984	1.1
180.03853	1.0
190.81427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
52.06368	1.0
55.01758	8.0
57.03313	2.0
58.00452	1.6
58.42023	1.2
59.01251	24.2
65.49609	1.2
67.01742	2.0
68.87639	1.0
68.99690	14.3
69.03326	4.5
69.83242	5.7
70.50858	1.1
71.00845	1.3
71.01250	35.1
72.99183	19.2
73.02812	13.2
75.00745	19.2
83.01257	14.7
85.02823	16.1
87.00751	100.0
88.01074	2.1
89.02306	2.4
95.01248	3.7
96.34347	1.1
96.99165	1.7
99.00768	16.3
100.01062	1.5
101.02320	5.0
103.00267	2.4
111.00754	9.6
112.98685	1.9
113.02328	7.4
114.02757	0.9
115.00254	36.2
117.01833	4.5
127.00264	36.6
128.00621	1.8
128.42799	1.0
129.00922	1.6
129.01796	7.5
139.00276	3.8
145.01331	2.0
157.01312	3.2
175.02399	14.8
175.06123	1.6
180.47780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0605
Annotation	(R)-2-(n-Propyl)-malate
Peak:m/z	Relative Intensity
55.96511	1.0
57.03341	1.8
58.92741	0.8
59.01254	5.9
67.01744	1.0
70.15005	3.0
71.01265	2.1
71.04900	1.2
72.99168	0.9
73.02832	1.0
75.38293	0.9
85.02820	2.0
85.06460	44.3
86.06800	1.8
87.00746	5.0
87.04391	2.7
93.03348	3.3
104.02580	1.7
113.05968	41.0
114.06335	3.0
115.00255	3.4
115.03899	100.0
116.04219	4.7
129.01842	1.0
129.05521	1.1
129.09019	0.8
129.36505	1.0
131.07025	7.7
133.02867	1.0
134.03584	2.0
135.04424	14.5
148.01535	1.8
157.04953	8.5
175.02609	1.1
175.03899	2.9
175.06047	37.1
175.07309	1.4
176.01044	1.8
176.03442	1.8
176.06387	2.5
179.03424	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98768	5.3
59.01250	58.7
65.01313	14.3
67.01747	15.3
68.02097	16.9
71.01241	20.0
72.99163	4.6
73.02818	12.5
83.01294	5.7
85.02810	9.3
85.06441	4.7
87.00757	31.4
91.02893	7.4
93.03326	31.1
94.03671	100.0
106.03977	5.5
112.04723	9.4
112.08368	5.9
113.05946	8.5
115.00266	32.6
115.03885	13.9
131.03680	5.6
131.04819	6.6
132.05539	12.9
132.98106	10.0
133.04063	11.8
133.05043	9.7
134.03531	9.8
146.02365	11.7
146.06006	6.7
147.04372	9.6
159.03134	4.7
165.09093	4.8
174.01680	32.5
174.88849	7.3
175.02490	7.8
175.03827	27.3
175.06056	20.4
175.07494	11.0
175.11108	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	53.1
65.01318	12.8
68.02086	10.8
70.84676	16.9
71.01229	13.0
83.01212	8.6
87.00744	32.7
93.03351	31.5
94.03665	100.0
106.03952	10.6
115.00246	26.3
115.03864	11.6
132.05544	18.3
133.04002	13.6
133.05051	15.7
134.03508	16.6
147.04424	12.1
148.05077	8.6
174.01700	25.2
175.02399	10.2
175.03885	19.3
175.06081	29.2
175.07506	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0449
Annotation	Shikimate
Peak:m/z	Relative Intensity
57.03326	3.1
59.01255	4.1
60.99186	2.9
65.01317	1.0
65.03854	1.0
65.99725	0.5
67.01764	25.0
68.02100	0.6
69.03329	5.9
69.41490	1.8
69.41918	1.8
71.01256	10.7
71.04883	0.5
72.01591	0.4
72.99164	0.7
73.02821	2.7
81.03338	3.1
83.01247	0.8
83.04906	3.8
85.02826	2.0
87.00778	0.9
93.03339	100.0
94.03655	3.7
99.00744	1.5
99.04397	1.4
101.02290	0.5
105.04524	0.4
108.02040	0.5
109.02852	2.4
111.00764	1.3
111.04406	11.4
111.08040	1.1
111.90655	0.4
113.02319	1.2
113.28388	0.5
119.02410	0.4
129.01819	0.6
129.09058	0.5
130.08620	0.5
131.09036	0.6
137.02315	2.5
143.03397	0.5
145.02879	0.7
146.02361	0.6
146.03450	0.5
155.03415	2.4
166.98650	0.4
173.04482	67.5
174.04816	4.2
183.12379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	1.4
55.01753	5.4
57.03325	5.8
58.02855	1.0
59.01251	7.4
60.99170	3.4
67.01761	28.6
68.02103	0.8
68.99686	2.8
69.03335	6.5
69.75130	1.2
69.75542	3.2
71.01252	99.7
71.04908	0.6
72.01581	2.9
72.99178	4.1
73.02821	9.6
80.99708	1.5
81.03343	2.2
83.01258	10.3
83.04900	5.0
85.02816	6.7
85.06461	2.1
87.00739	5.8
93.03335	100.0
94.03674	5.0
96.99191	4.3
99.00754	33.9
99.04388	2.1
100.01071	0.9
100.07495	0.7
101.02303	1.8
109.02869	1.6
111.00763	19.6
111.04402	13.2
111.08041	5.6
112.01089	1.2
112.98689	22.8
113.02319	1.0
113.99023	0.9
115.00263	4.8
124.98698	28.6
125.99031	1.0
127.00239	1.0
129.01811	1.5
129.05453	1.8
129.09100	1.0
137.02290	1.6
140.98174	0.9
142.99763	50.1
144.00081	2.2
145.02901	0.7
146.02327	0.8
154.99741	2.9
155.03392	1.9
173.00874	8.3
173.02267	1.0
173.04491	12.0
173.05899	0.6
173.08084	3.0
173.11710	1.1
174.01982	0.8
188.15529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00187	3.0
55.01757	7.1
57.03326	8.2
58.02843	5.8
58.67680	0.6
59.01255	9.1
60.99195	0.9
63.80799	0.6
67.01759	10.8
68.99683	4.0
69.03335	2.2
70.43301	0.6
71.01254	100.0
71.04894	0.9
71.23446	1.4
72.01588	2.4
72.99171	5.2
73.02819	14.1
80.99709	1.8
81.03327	1.6
83.01257	9.2
83.04889	7.1
85.02824	17.3
85.06459	42.3
86.05989	1.5
86.06808	1.6
87.00735	7.5
88.03905	2.3
93.03338	35.0
94.03674	1.6
96.99195	5.1
99.00758	34.0
99.04363	1.8
100.01096	1.1
100.07562	3.7
101.02362	1.7
101.05981	1.7
101.07890	1.1
111.00766	41.2
111.04401	19.0
111.08041	1.6
112.01113	2.0
112.04754	0.8
112.98693	28.4
113.99044	1.1
115.00233	5.5
117.01829	3.2
124.98700	31.7
125.99028	1.0
127.00249	0.8
127.03902	2.0
128.07060	6.6
129.01877	3.5
129.05463	4.6
132.06558	2.3
135.57697	0.6
137.02309	1.7
140.98177	1.6
142.99767	76.9
144.00063	3.4
154.99803	3.6
155.03394	8.5
173.00882	8.8
173.04469	46.1
173.05988	1.9
173.07991	0.8
174.04868	1.7
174.07646	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0972
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
57.03328	1.2
58.02849	2.5
59.01264	2.5
60.86564	0.4
60.99162	2.0
65.01308	1.5
65.90623	0.4
65.99726	0.5
67.01762	13.8
69.03323	3.2
71.01257	4.2
71.58000	0.8
72.99183	0.5
73.02818	1.7
79.21176	0.4
81.03339	1.3
83.04911	2.1
85.02820	1.7
85.06478	0.9
87.00768	0.8
93.03336	55.6
99.00758	2.0
99.04381	0.9
102.60757	0.5
106.04013	0.7
111.00774	3.0
111.04391	6.2
111.08030	3.3
119.02396	1.5
127.07569	0.5
128.10695	6.2
129.01830	0.6
130.03981	0.9
130.08630	100.0
131.07033	0.9
131.08987	5.2
137.02350	0.8
144.01932	0.5
144.04425	1.7
145.02846	0.8
145.03960	0.9
145.05103	1.0
146.03479	2.3
155.03453	1.1
158.30887	0.4
172.02313	0.6
172.03816	1.1
172.05043	0.6
172.06271	1.1
172.09613	8.8
173.02332	1.0
173.02962	0.6
173.04530	9.8
173.08092	1.4
173.10088	0.8
173.11734	0.8
192.97469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90315	0.5
59.35253	0.5
64.95132	0.4
66.68125	0.4
69.52876	0.9
69.53285	3.2
98.19772	0.9
99.08033	0.9
116.11734	0.5
122.83177	0.5
123.08107	0.6
125.08784	0.7
125.09582	3.7
126.09937	0.5
127.11176	7.0
153.09091	1.5
171.10181	100.0
172.10503	7.8
173.34145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01574	0.5
69.23663	1.7
69.24066	5.0
72.38580	0.6
123.08009	0.6
125.09628	4.0
127.11180	8.3
153.09079	1.6
171.01949	0.9
171.10187	100.0
172.10532	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26172	0.6
70.91376	0.8
70.91712	1.2
97.06464	0.7
99.08009	1.0
99.27933	0.6
123.67686	0.6
123.68629	0.6
125.09633	2.9
127.11177	9.4
128.11484	0.7
153.09097	2.1
171.01903	1.0
171.10184	100.0
172.10530	9.1
176.95695	0.7
184.79156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
60.68016	0.4
121.84003	0.6
123.08015	0.9
125.09611	5.0
127.11180	8.5
153.09106	1.8
171.01849	0.6
171.10187	100.0
172.10533	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
65.01318	1.2
71.58002	0.8
86.98918	0.4
89.01325	1.2
97.06423	0.6
99.08051	0.7
105.04428	0.5
106.04036	0.5
109.02837	0.5
123.08009	0.5
125.09624	4.4
126.76340	0.3
127.07543	1.2
127.11179	7.8
128.11516	0.5
128.50522	0.4
144.02002	0.4
144.05582	1.1
145.05087	0.5
153.09117	2.1
171.01888	1.3
171.10182	100.0
172.10530	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33905	0.4
53.34196	0.4
58.02849	100.0
59.03176	1.7
61.04086	0.4
69.03323	0.4
70.02840	0.6
70.91656	1.5
78.22944	0.4
125.02356	7.3
151.11194	0.7
168.10535	0.4
168.13857	5.3
169.01369	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79741	0.6
54.28411	0.6
65.00185	0.6
65.01330	0.5
65.69722	0.6
83.27007	0.6
91.61996	0.6
125.09597	4.4
127.07629	0.8
127.11183	8.2
128.49988	0.6
153.09123	2.1
171.01962	1.6
171.10182	100.0
172.10522	8.3
191.87277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29941	0.6
52.41185	0.5
54.88658	0.7
54.90086	0.6
55.54086	0.5
57.62970	0.5
59.00470	0.5
65.04843	0.6
69.85508	3.2
74.71169	0.6
81.41125	0.5
90.76360	0.5
98.19830	0.6
99.08096	0.7
110.66741	0.5
113.77425	0.6
123.08029	0.8
125.09606	4.5
127.11193	7.2
153.09077	2.1
171.10193	100.0
171.23788	0.6
172.10542	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	2.5
57.03325	24.5
57.47062	2.8
69.03307	3.6
69.92893	12.9
72.73284	2.5
77.03834	3.8
80.02557	7.6
81.03328	22.8
83.04897	44.9
92.99701	4.3
93.03325	8.4
95.04905	29.1
97.05399	2.4
97.06468	53.0
98.06834	2.5
107.04930	3.1
109.06487	13.9
111.08042	61.1
112.08379	4.2
121.02850	54.1
122.03223	2.7
123.00687	3.0
123.08044	4.4
137.02345	7.0
147.04414	3.4
147.11716	5.0
149.00854	5.0
150.03146	4.8
152.09210	3.0
163.11179	17.6
164.11600	3.3
165.01788	7.2
165.04039	3.0
165.05458	4.1
165.11365	5.2
165.12759	100.0
166.05020	3.1
166.13092	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0503
Annotation	Orthoform
Peak:m/z	Relative Intensity
55.49112	0.2
56.08457	0.2
58.02860	0.3
59.06404	0.2
61.10824	0.2
65.01334	0.3
65.99732	0.4
66.03382	0.2
67.02888	0.2
69.03333	0.2
71.58758	0.3
81.03323	0.4
82.02859	0.3
82.03986	0.5
83.02378	0.2
90.03389	0.3
91.01794	0.2
92.04938	0.9
93.03348	0.8
95.01257	1.1
95.04944	0.3
97.03970	1.6
105.02045	0.3
108.02060	2.4
109.02891	0.2
109.03933	0.4
109.67641	0.2
118.02870	0.3
120.04462	0.4
121.02833	0.8
121.05224	2.9
122.02381	0.5
122.03218	0.8
123.00771	1.5
123.04413	1.8
123.05420	0.3
123.08086	0.4
124.01532	0.3
124.04014	0.3
124.05087	1.0
125.02310	0.5
125.03483	0.5
133.01605	0.4
135.04431	1.5
136.05203	28.8
137.05537	2.4
138.01764	0.3
138.05534	0.2
139.03963	0.3
139.05002	0.3
140.02446	0.7
148.03873	0.2
151.00284	1.2
151.02664	0.4
152.01060	4.0
152.05823	0.5
166.05016	100.0
167.03580	1.7
167.05350	7.5
167.06940	0.6
167.08261	0.4
183.01715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
66.03392	0.5
67.01769	0.6
68.99710	1.2
69.03330	0.8
69.24447	1.6
69.24871	4.2
71.04902	0.5
80.02541	1.2
81.03332	1.1
82.02861	0.6
83.01276	1.1
83.04896	2.8
85.03943	0.9
91.01775	1.0
93.03316	0.6
95.01256	2.8
95.04924	2.1
95.44127	0.5
96.04444	0.6
97.02819	1.0
97.03976	0.7
108.02052	13.2
109.02917	1.1
111.00779	1.4
111.04414	4.6
121.02827	1.4
123.00756	2.9
123.04415	9.3
123.08066	2.0
124.01520	1.7
124.03878	0.6
124.04759	0.7
125.02377	1.5
125.03455	0.8
137.02284	1.2
138.03195	1.2
139.00211	0.8
139.03906	1.9
139.07523	1.1
140.02440	1.4
149.02362	0.7
149.05978	1.5
151.00394	0.9
152.01070	21.5
152.04662	0.5
153.01485	1.2
156.22218	0.5
167.02098	1.1
167.03423	11.7
167.07082	5.6
167.10690	100.0
168.02869	0.9
168.11086	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0709
Annotation	phenylalanine
Peak:m/z	Relative Intensity
50.45289	0.8
56.83600	0.7
58.93787	0.8
59.01249	1.8
63.23459	0.6
64.75061	0.7
65.01311	1.8
65.99720	2.5
67.02893	1.3
68.01284	0.9
70.91698	2.4
71.01284	1.0
72.00780	47.6
72.99140	0.8
73.15485	0.8
75.00739	3.3
77.03840	1.1
79.02863	1.0
82.03979	1.1
87.00745	3.6
87.56837	0.9
89.02347	0.9
91.05415	1.6
92.04912	1.2
93.03326	2.2
94.02851	1.4
95.02397	1.4
96.02151	0.7
105.01789	1.2
106.04024	1.1
107.02409	0.8
109.02831	2.0
109.03965	1.1
119.04900	4.2
120.04440	2.5
120.05264	8.0
120.24687	0.7
121.02845	17.4
121.03858	1.4
121.04015	1.4
122.03497	2.7
127.36759	0.8
135.04436	1.3
137.02336	3.1
137.03481	2.7
147.04419	100.0
148.04761	8.9
149.00876	2.4
149.02174	0.9
150.03151	2.9
164.03369	1.3
164.04590	3.4
164.07083	37.7
165.01830	2.7
165.03975	2.5
165.05479	2.0
165.07466	3.6
165.09164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
52.38669	0.3
55.01751	0.6
57.03326	0.7
59.01251	7.6
68.99685	0.5
69.49410	2.1
71.01253	7.7
72.01609	0.4
72.99188	4.6
73.02817	3.0
75.00747	17.1
79.95602	0.5
80.96380	0.4
83.01257	0.4
85.02825	0.7
87.00751	100.0
88.01082	3.0
89.02309	2.3
93.03352	0.7
94.06487	0.3
99.00760	11.2
100.01145	0.4
101.02322	3.5
105.01819	76.2
106.02144	2.0
108.04481	0.4
115.87103	0.3
117.01839	2.6
119.03429	0.9
121.02836	1.3
122.06014	1.3
129.01842	0.9
135.02864	1.4
137.02383	0.5
138.05540	0.4
140.75221	0.3
147.02901	6.4
150.03116	0.9
165.03963	38.4
166.01692	0.4
166.04207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20834	0.9
62.10688	0.9
69.29008	5.5
69.29431	4.8
70.91227	0.9
77.70793	1.0
83.42188	0.8
87.18320	0.9
89.34949	0.8
91.01749	3.7
93.03321	1.0
107.04952	1.2
119.01292	1.4
119.04939	11.3
120.05268	1.4
135.00751	1.1
135.04362	1.4
147.08179	1.0
163.00284	4.0
163.03932	1.9
163.11198	100.0
164.11534	8.3
173.79187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0709
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
55.02707	0.4
59.01236	1.4
63.68727	0.5
67.01768	0.5
68.99698	0.9
69.86828	2.9
71.01231	0.9
71.54617	0.5
72.00778	45.7
72.99176	0.9
73.01096	1.4
73.02800	0.6
75.00732	1.9
81.03306	0.6
87.00748	4.0
89.02315	0.6
90.05639	0.5
91.01743	0.6
91.05405	0.6
92.04929	1.3
93.03319	2.4
101.02316	0.5
105.01800	2.9
106.04097	0.5
109.02815	1.5
118.06518	0.8
119.04918	2.7
120.04433	2.0
120.05235	1.2
121.01974	0.6
121.02838	10.5
122.03591	1.4
123.04383	0.5
133.70480	0.5
135.04378	1.1
137.02336	3.7
146.06018	0.8
147.04419	100.0
148.04771	8.8
149.00885	1.9
149.02263	0.8
149.06053	0.8
150.03133	9.8
164.00774	0.6
164.07083	36.8
165.01846	2.8
165.03966	1.5
165.05478	1.3
165.07433	2.9
165.08893	0.7
175.32561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.81047	0.2
55.25058	0.2
59.01257	0.2
65.01308	0.5
65.99727	0.4
69.22342	0.2
71.36683	0.4
72.00792	0.2
74.55518	0.2
82.03967	0.4
91.01738	1.0
91.05418	1.8
92.04903	0.2
93.03342	2.1
94.02833	0.2
101.02318	0.3
109.03976	0.2
116.47533	0.2
117.03391	0.3
119.04914	100.0
120.04420	0.5
120.05235	6.1
121.02827	0.3
121.05093	0.5
134.03500	0.3
135.00786	0.5
135.04411	0.8
135.08205	0.2
136.03966	0.3
136.05075	0.2
147.04405	0.5
149.02423	0.2
163.00323	1.5
163.02519	0.4
163.03911	5.7
163.06105	0.3
164.04428	0.7
164.08257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.7
57.03328	100.0
57.21333	1.3
58.03661	2.7
59.01254	39.0
61.16143	1.6
67.04052	1.3
68.82361	1.3
69.03304	1.6
70.20044	1.3
70.77427	4.3
71.01265	17.2
71.04900	8.7
72.00796	1.4
72.99187	2.0
73.02832	9.3
73.51421	1.4
75.00746	1.6
80.87202	1.4
83.01279	4.0
85.02826	13.5
87.00758	21.8
89.02302	1.9
95.01274	2.8
96.53851	1.3
97.02859	2.0
99.04398	80.6
100.04751	2.9
101.02326	42.2
102.02659	1.6
113.02315	2.9
115.03931	2.4
117.05468	3.0
125.02306	1.6
126.74017	1.5
131.03397	3.0
133.02817	3.1
143.03430	5.6
161.02402	3.4
161.04466	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	7.5
57.03328	15.7
58.00460	5.0
59.01250	100.0
65.01324	13.1
65.99706	5.8
66.00843	2.4
67.01741	2.0
69.03337	6.1
69.81273	3.1
69.81677	9.3
70.72643	1.7
71.01252	85.6
72.01584	3.4
72.99180	7.3
73.02818	56.1
75.00746	5.2
77.38463	1.6
81.03333	7.4
83.01259	19.9
85.02823	83.6
86.03160	3.1
87.00732	9.8
89.02306	6.6
91.02901	7.4
92.02413	2.0
93.00816	3.8
95.01268	14.8
97.02839	7.8
99.00755	5.4
99.04371	4.4
101.02322	12.2
106.04018	2.8
107.02431	3.8
113.02332	30.3
114.02691	2.5
117.03307	2.4
117.24651	1.7
118.02854	5.0
118.04059	2.0
119.02402	5.2
120.01943	5.1
120.05526	2.7
121.02728	3.7
123.04453	2.3
125.02357	2.5
131.03424	14.7
132.02036	2.2
133.02869	19.3
134.03487	19.1
135.01929	3.0
135.02878	3.1
143.03418	2.4
159.02928	1.7
161.02386	34.0
161.04483	36.8
162.01836	6.8
162.02916	5.3
162.06659	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0236
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
55.01774	0.2
57.03328	0.4
58.00514	0.1
59.01251	1.9
62.71881	0.1
65.00201	0.7
65.00473	0.1
65.01311	0.6
65.99727	0.4
67.02895	0.1
68.01295	0.1
69.03352	0.1
69.52390	0.7
69.52810	0.2
71.01252	2.3
72.99184	0.3
73.02814	1.1
75.00751	0.2
77.03862	0.1
79.02917	0.1
81.03336	0.3
83.01252	0.4
85.02821	2.4
87.00758	0.4
89.02336	0.4
89.03841	1.6
89.35602	0.1
91.01783	0.1
91.02899	0.3
91.51300	0.1
92.01374	0.1
93.00831	0.1
95.01260	0.1
95.04910	1.5
97.02822	0.2
98.20602	0.2
99.00748	0.2
99.04423	0.3
101.02351	0.3
105.03327	0.5
106.03979	0.1
113.02339	0.4
117.03352	3.8
118.02898	0.2
118.03683	0.2
119.01337	0.2
119.02402	0.2
120.01947	0.3
120.05540	0.2
121.02758	0.4
123.04410	5.1
124.04755	0.4
125.02387	0.1
131.03419	0.8
132.05606	0.1
133.02847	20.6
134.03253	1.8
135.01859	0.1
135.05534	0.2
137.74660	0.1
160.89162	0.2
161.02350	100.0
162.02721	7.8
162.06696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0235
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
55.01760	0.4
57.03320	1.4
58.00465	0.3
58.27155	0.2
58.91052	0.2
59.01245	4.8
65.00201	0.8
65.01311	0.5
65.99731	0.4
69.03334	0.7
69.38493	2.1
71.01253	5.9
72.13715	0.2
72.99187	0.9
73.02822	2.8
75.00747	0.5
77.01335	0.3
77.03839	0.3
81.03333	0.8
83.01267	1.9
84.02060	0.2
85.02819	6.6
86.03154	0.3
86.93431	0.2
87.00731	1.5
89.02321	1.3
89.03847	1.7
91.01785	0.2
91.02901	0.5
92.02444	0.3
93.03317	0.2
95.04910	1.9
97.02837	0.7
98.19826	0.4
99.00761	0.4
99.04414	0.5
101.02319	1.3
105.03364	1.0
107.02407	0.2
107.04925	0.2
113.02353	0.8
117.03345	3.5
118.02863	0.6
118.03653	0.4
119.02444	0.2
120.01933	0.4
121.02776	0.4
123.04410	5.3
124.04750	0.4
125.02356	0.4
129.01817	0.2
131.03424	1.8
132.02061	2.8
133.02850	43.6
134.03215	3.2
143.03510	0.4
161.02353	100.0
161.04271	5.9
162.02768	8.6
162.04721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32329	1.2
55.01759	2.9
58.02857	2.2
59.01250	1.5
60.05059	1.3
65.01295	2.6
67.01758	1.7
70.92531	3.6
73.46825	1.2
83.01270	3.2
83.04892	1.4
84.04430	1.8
93.03338	4.6
96.00756	2.4
101.01344	1.8
106.04365	1.1
108.25158	1.3
110.35900	1.2
111.04427	2.8
111.08054	1.5
114.05472	1.6
127.00286	1.7
127.03876	1.1
128.02487	1.9
129.04462	2.1
137.02332	1.4
137.05959	1.3
145.95131	1.2
155.03560	10.5
155.10687	100.0
156.05542	7.2
156.06677	1.2
156.11006	6.8
158.60783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0236
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
50.72574	0.2
53.85037	0.2
55.01763	0.6
57.03324	1.0
58.00457	0.2
59.01252	4.7
65.00192	0.7
69.03318	0.6
69.91972	0.2
70.84803	0.4
71.01251	5.0
72.99181	0.6
73.02828	2.3
75.00741	0.3
81.03326	1.0
83.01254	1.2
85.02824	6.0
87.00745	1.0
87.04388	0.2
89.02322	1.0
89.03841	2.0
90.03377	0.3
95.01257	0.2
95.04899	1.6
97.02831	0.6
99.00764	0.6
99.04424	0.4
101.02315	0.8
105.03388	0.4
113.02322	0.5
116.92753	0.7
117.03347	4.4
117.05463	0.3
118.02877	0.8
123.04409	6.1
124.04743	0.4
125.02367	0.4
131.03392	2.1
133.02852	22.1
134.02364	0.2
134.03206	1.4
143.03346	0.3
151.03525	0.2
160.84103	0.3
160.89236	0.3
161.02351	100.0
161.04269	5.9
161.89281	0.3
162.02759	7.0
162.04825	0.4
174.75700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	100.0
56.02095	3.0
57.03326	2.2
59.01244	1.5
65.00197	2.9
67.01779	2.1
68.02417	1.3
68.99688	2.0
70.58533	1.7
70.58894	3.7
71.01254	13.0
73.02806	1.5
81.03336	2.3
82.92259	1.0
83.01260	38.2
83.04898	2.3
84.00794	1.6
84.01589	1.6
85.02848	1.0
93.03333	5.0
97.02854	1.1
99.00779	3.1
111.00748	4.0
111.04400	3.9
111.08016	1.1
112.98763	1.2
114.05492	12.6
115.06009	1.2
126.05492	1.1
127.00266	14.8
128.00645	1.4
137.02336	1.7
154.54944	1.3
154.99776	42.4
155.03494	2.1
156.00153	3.7
156.06645	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02863	0.2
59.01245	0.9
61.91277	0.2
65.00195	0.4
65.03820	0.4
65.99730	0.4
66.03359	1.9
67.01762	0.2
67.02877	0.4
68.01275	0.3
68.99671	0.2
69.03338	0.5
69.17919	0.2
69.32050	2.1
70.68185	0.2
72.04419	2.3
74.09702	0.2
79.95601	0.2
80.02541	0.2
80.96387	0.9
81.03319	1.4
81.04463	0.5
82.02823	0.2
83.01277	0.4
85.02811	0.3
86.09566	0.2
91.01781	0.6
93.10058	0.2
95.01246	0.3
97.02840	0.6
98.20591	0.3
98.42690	0.2
107.01289	0.4
108.02051	4.9
108.04446	0.6
109.02832	46.3
109.06496	0.5
109.99109	1.0
109.99982	0.9
110.02384	0.2
110.03493	0.4
111.01888	0.2
111.04402	0.3
111.05557	0.3
116.16713	0.2
118.31048	0.2
121.02844	1.4
122.03623	49.8
123.00750	0.4
123.03925	3.0
124.01559	0.2
124.04758	0.4
125.02350	1.2
125.03256	0.2
135.04434	0.3
137.01871	1.0
137.99493	0.8
138.03104	0.2
147.17142	0.2
151.00319	0.3
152.03432	100.0
153.01839	8.1
153.03783	6.3
153.05315	0.4
153.09109	0.5
157.09932	0.2
158.23364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55867	0.3
59.01252	1.2
65.00191	0.5
65.01318	0.2
65.03826	0.4
65.99728	0.4
66.03352	1.8
67.01772	0.3
67.02879	0.7
68.01285	0.6
71.58035	0.3
72.04424	2.7
80.96391	1.1
81.03315	1.0
81.04458	0.9
81.44108	0.2
82.02855	0.9
83.01270	0.5
83.02365	0.4
85.02850	0.3
91.01775	0.3
91.02937	0.3
95.01312	0.2
95.02381	0.4
97.02822	0.6
105.25408	0.2
106.04031	0.3
108.02058	4.5
108.04444	0.6
109.02837	32.7
109.99051	1.1
109.99971	1.9
110.02376	0.4
110.03473	0.5
110.04225	0.3
111.01871	0.4
111.05584	0.3
121.02048	0.2
121.02820	1.5
122.03625	49.0
123.00761	0.5
123.03940	3.3
124.04853	0.3
125.02331	1.0
125.03484	0.3
134.03419	0.4
137.01924	0.9
137.99498	1.3
151.00310	0.4
152.03433	100.0
153.01865	5.9
153.03806	5.8
153.05461	0.7
153.09172	0.4
153.27905	0.2
153.85670	0.2
164.76328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65651	1.1
57.03327	1.1
59.01254	7.1
60.46417	1.0
63.02269	2.2
65.00199	1.5
65.99683	1.4
66.03355	17.1
67.01757	3.0
67.02882	1.3
67.06961	1.0
68.99683	1.4
69.03318	1.6
70.15452	5.1
71.01250	10.6
72.04411	12.1
73.02809	1.5
76.31350	0.9
78.74592	1.0
79.01803	2.3
79.05398	1.8
79.95606	1.4
80.02578	1.2
80.04922	1.3
80.96394	3.3
81.03338	2.5
82.02879	2.0
82.03954	1.2
89.02320	4.9
93.03336	3.5
95.01283	8.4
95.04912	7.1
98.19908	1.3
101.02332	5.4
107.01289	2.1
107.04906	17.5
107.08542	18.4
108.02055	17.6
108.04453	5.6
108.05101	1.3
109.02867	7.5
109.03954	3.2
109.99080	3.1
110.02363	2.5
110.03544	1.7
121.02848	1.9
122.03632	19.6
123.00811	6.3
123.04408	52.4
124.01524	3.3
124.03924	1.3
124.04735	3.3
125.02328	1.6
136.01564	100.0
136.05156	2.3
137.01891	6.4
147.72633	1.1
151.00308	3.4
151.03922	66.7
151.04921	3.0
151.07539	19.1
151.11282	1.5
151.87340	1.5
152.00090	4.7
152.01186	2.2
152.03365	23.0
152.08020	1.3
154.02647	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	6.2
60.72415	0.7
69.03326	2.9
69.43552	7.0
71.01254	39.0
72.01565	1.0
72.99181	1.4
73.02818	24.2
75.00733	1.2
85.02830	1.0
87.00751	11.0
89.02317	100.0
90.02663	3.0
101.02320	1.7
103.03896	8.3
121.02876	1.6
122.89927	0.7
131.03397	2.6
149.04457	23.1
165.00943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	4.3
57.03329	39.5
59.01258	24.2
61.71743	4.4
68.99704	7.5
69.03336	5.4
69.69933	24.4
69.70339	6.1
71.01262	64.8
71.04895	44.7
72.99187	24.1
73.70413	4.2
75.00745	13.7
75.02296	6.3
85.02819	24.5
87.00765	17.7
88.51119	4.5
99.00774	6.8
101.02317	8.7
101.05932	10.7
103.03911	7.0
103.05808	12.5
113.02357	8.1
115.03848	5.8
129.01819	17.7
147.04515	9.3
147.06543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.5
61.98705	3.6
64.01808	1.6
65.01329	1.8
65.03831	1.4
66.49010	1.2
70.64191	2.5
71.01257	3.4
72.99179	3.8
75.00750	2.9
75.02285	2.6
77.03843	5.0
79.05401	9.0
81.04476	1.2
84.99205	1.7
85.02834	2.4
91.05412	31.7
91.05952	2.1
92.05763	1.4
93.03353	4.0
95.04907	5.3
101.03831	2.9
102.04634	3.9
103.05423	15.2
105.03350	16.5
105.04440	1.3
106.03886	1.3
119.04921	70.0
120.04498	1.5
120.05319	4.2
123.04424	1.4
130.04091	1.5
145.02852	4.8
146.03645	8.5
147.01941	3.3
147.04430	100.0
148.03848	1.2
148.04898	8.8
148.06000	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.1
59.01246	36.4
64.01788	5.1
64.74804	4.3
68.99715	6.0
69.51388	32.2
71.01254	100.0
72.99178	27.5
75.00749	12.2
80.40799	5.1
85.02810	11.8
87.00755	13.4
91.32985	4.4
99.00756	28.2
101.02323	5.2
102.05470	5.3
103.05246	4.3
103.05823	26.2
122.85950	4.7
124.14378	4.1
129.03787	9.9
139.07002	4.2
146.86565	7.6
147.02933	5.3
147.04301	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.1
59.01246	36.4
64.01788	5.1
64.74804	4.3
68.99715	6.0
69.51388	32.2
71.01254	100.0
72.99178	27.5
75.00749	12.2
80.40799	5.1
85.02810	11.8
87.00755	13.4
91.32985	4.4
99.00756	28.2
101.02323	5.2
102.05470	5.3
103.05246	4.3
103.05823	26.2
122.85950	4.7
124.14378	4.1
129.03787	9.9
139.07002	4.2
146.86565	7.6
147.02933	5.3
147.04301	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00204	0.5
57.03331	0.4
62.33131	0.4
64.01788	0.6
65.01311	2.8
65.99715	1.2
69.61041	2.2
69.61445	1.1
72.99174	0.5
77.01313	1.5
81.04441	0.9
83.04877	0.8
86.18834	0.6
91.02873	1.3
97.06472	3.6
98.20526	0.9
99.08033	100.0
100.08369	7.1
101.05944	1.3
103.01682	0.6
105.04440	0.6
117.03354	1.9
118.02876	1.5
118.03996	6.0
119.02406	2.5
119.04304	0.5
127.07538	1.4
141.24591	0.4
142.72505	0.4
143.07086	1.0
144.01945	1.1
145.01437	0.5
145.02800	1.3
145.03976	1.0
145.05063	3.6
145.08611	26.2
146.02371	5.2
146.03503	2.6
146.07132	1.4
146.08913	2.2
153.07729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38450	1.2
54.54307	1.1
56.73584	1.2
57.03314	5.1
58.00451	1.7
59.01252	20.5
59.17628	1.4
68.99690	3.1
70.39262	1.2
70.69111	3.2
71.01257	33.6
71.53603	1.1
72.00768	1.2
72.01602	1.7
72.99182	13.1
73.02819	4.0
74.02332	4.8
75.00751	17.2
75.02254	1.5
83.01264	2.1
84.01571	1.5
84.04443	3.0
85.02817	15.2
87.00743	13.3
89.02320	2.3
95.98179	1.4
99.00768	9.3
101.02317	2.6
102.05489	100.0
103.00246	2.7
103.05821	4.7
103.72144	1.2
111.00726	2.3
113.75529	1.4
117.01797	2.4
118.02894	2.8
128.03432	31.1
129.01819	4.0
142.41521	1.2
146.02457	7.7
146.04489	9.1
146.07002	5.0
147.02881	2.3
147.04405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26818	5.8
57.03343	31.8
59.01242	14.5
61.82249	5.0
63.10479	5.2
69.61613	34.4
69.62037	10.6
71.01260	37.4
71.68494	5.0
72.99195	9.1
73.02827	18.8
83.01254	14.5
87.00761	25.7
101.02325	60.9
102.05498	100.0
115.00276	21.6
116.75919	5.8
127.00298	6.3
128.03433	38.1
145.01375	13.8
145.06898	19.5
146.04388	9.3
164.77307	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	10.6
57.03309	14.9
59.01249	23.0
69.97783	7.8
71.01248	100.0
72.99195	24.5
73.02811	16.4
74.02337	12.6
79.07204	7.2
83.01258	21.4
83.04905	12.3
87.00745	65.6
90.71599	8.2
96.00803	7.9
98.19755	16.6
99.00797	10.1
99.04449	9.2
101.02320	23.6
101.05991	10.6
102.05497	47.1
115.00260	42.4
119.19539	9.0
127.00295	25.8
128.03444	27.7
141.92805	8.5
145.01376	12.5
145.02859	14.5
145.06909	17.0
146.02382	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	10.6
57.03309	14.9
59.01249	23.0
69.97783	7.8
71.01248	100.0
72.99195	24.5
73.02811	16.4
74.02337	12.6
79.07204	7.2
83.01258	21.4
83.04905	12.3
87.00745	65.6
90.71599	8.2
96.00803	7.9
98.19755	16.6
99.00797	10.1
99.04449	9.2
101.02320	23.6
101.05991	10.6
102.05497	47.1
115.00260	42.4
119.19539	9.0
127.00295	25.8
128.03444	27.7
141.92805	8.5
145.01376	12.5
145.02859	14.5
145.06909	17.0
146.02382	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.9
64.18417	1.8
69.03323	8.6
69.37534	2.1
71.01257	23.4
71.04903	7.1
71.57668	2.5
72.99197	2.9
81.03334	6.9
83.01260	3.0
83.04892	4.7
85.02826	11.9
87.00765	4.4
87.04401	2.7
96.99200	3.0
97.02836	8.5
97.06456	2.4
97.99544	2.2
98.06009	2.8
99.04408	5.4
108.27704	1.9
112.98692	2.8
115.03879	2.5
116.02465	2.2
124.98706	4.9
125.02296	13.5
125.06036	3.4
126.05511	6.9
139.13010	2.1
142.05000	2.2
142.99759	3.4
143.03433	8.2
143.07092	3.5
143.10684	100.0
144.04521	22.2
144.05699	2.4
144.06572	41.0
144.11047	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00197	22.7
54.31818	1.6
59.01257	8.9
63.06058	1.5
68.99684	6.5
69.03320	5.3
71.01254	43.8
71.04898	2.7
71.34134	3.2
72.99170	5.0
79.98917	2.2
80.99680	5.9
81.03315	3.0
83.01241	3.0
83.04912	2.0
85.02821	2.9
87.00746	14.5
87.07841	1.6
90.35828	1.7
96.04428	2.5
96.99194	34.2
97.06494	1.6
98.06020	7.9
99.04400	5.8
108.04431	5.2
112.98683	33.4
115.00272	6.5
124.98697	76.5
125.02307	2.9
125.99043	5.6
126.05478	21.9
140.98181	6.6
142.05020	5.4
142.99762	66.8
143.03430	2.2
143.07051	6.5
143.10674	2.2
144.00148	3.5
144.04443	3.9
144.06567	100.0
147.25240	1.6
148.81549	1.8
149.59711	1.9
158.99257	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
76.39935	0.6
85.58146	0.6
101.70423	0.7
108.02045	0.8
111.00766	2.1
122.02362	2.6
123.03158	81.9
124.03520	3.9
136.03967	1.0
138.01874	2.0
138.05511	100.0
139.05859	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00200	18.1
59.01249	9.4
68.99686	4.8
70.02843	4.6
70.79920	10.8
71.01252	50.0
72.99184	4.9
80.99688	6.1
87.00738	15.1
96.99196	37.8
98.05999	10.2
99.04405	5.1
108.04419	4.8
112.98691	35.1
113.50040	3.6
115.00264	5.4
119.20198	3.6
124.98700	73.7
125.99153	3.4
126.05495	19.6
139.37871	3.7
142.04985	7.8
142.89650	3.2
142.99768	72.4
144.05434	4.8
144.06575	100.0
148.04936	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
57.19567	0.3
66.00816	0.4
67.01743	0.5
68.01254	0.5
69.57683	1.5
69.58087	1.0
71.87808	0.3
83.01243	0.5
83.05795	0.4
91.79426	0.3
93.03335	0.5
94.03651	0.8
95.01265	0.5
108.02051	100.0
109.02386	5.9
111.00754	2.2
112.44221	0.4
119.27005	0.4
122.50221	0.3
123.03151	0.4
132.36380	0.4
138.01869	97.8
139.00264	0.9
139.01271	0.4
139.02225	5.7
139.03879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0188
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.00231	0.7
52.18265	0.5
52.75940	0.5
55.01751	1.7
61.14492	0.5
64.98695	0.4
65.99688	0.6
66.00849	0.7
67.01768	2.9
67.02881	0.7
68.01279	1.7
68.99683	1.9
69.03320	0.5
69.79899	3.3
83.01264	1.6
91.04300	0.5
93.03350	1.6
94.02886	1.5
94.03674	5.1
95.01244	1.5
96.00786	0.6
97.02840	0.5
97.03959	1.2
102.67963	0.5
108.02055	92.3
109.02370	5.9
109.03909	0.6
110.02361	0.6
111.00764	12.9
111.01913	1.1
111.04382	0.7
117.43816	0.5
120.01945	0.9
123.00768	0.8
123.03142	1.5
128.37784	0.6
138.01868	100.0
138.05476	1.4
139.00314	6.5
139.01308	0.8
139.02214	6.3
139.03914	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01746	0.7
65.05904	0.5
65.59566	0.5
66.00841	0.9
66.14245	0.6
67.01757	1.1
67.02888	0.7
68.01315	1.1
69.78595	1.8
69.79005	1.2
79.95611	0.6
83.01259	0.8
92.02094	0.6
93.03352	1.1
94.03670	3.6
95.01240	1.0
95.05435	0.6
108.02058	99.7
109.02395	5.0
111.00767	4.6
123.03154	1.4
134.34891	0.5
138.01871	100.0
139.00270	1.4
139.02202	5.0
139.03920	1.0
147.59697	0.5
154.02200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00203	0.5
53.27808	0.5
64.65374	0.5
65.00194	2.6
65.03836	8.7
65.12840	0.5
65.99699	1.2
66.00850	0.9
66.03365	0.8
67.01754	3.9
67.02871	2.2
68.01270	1.2
68.99674	0.5
73.00426	0.6
75.61803	0.6
78.22209	0.6
81.03348	0.7
81.04471	0.6
82.02850	0.8
91.01769	53.9
92.02102	2.6
93.03336	92.7
94.02867	0.9
94.03668	5.7
95.01263	1.6
95.02410	0.8
96.00834	0.9
98.19757	1.4
108.02052	96.1
108.51653	0.6
108.73872	0.5
109.02837	19.2
109.03973	1.1
110.03126	1.1
113.93863	0.5
120.01920	1.0
123.03139	1.3
135.00778	30.2
136.01482	2.2
136.74629	0.6
137.02344	85.9
138.01857	100.0
138.02692	5.5
148.07327	0.6
153.01840	34.0
154.02159	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03564	1.1
59.01249	9.6
64.01801	1.3
65.99707	5.0
70.72277	4.3
71.01235	7.6
72.99184	16.1
73.01674	1.1
75.00745	100.0
76.01083	2.5
85.02860	1.3
85.77472	1.1
85.81941	1.2
87.00749	27.2
89.02319	4.6
92.04891	2.2
93.03340	1.6
94.02849	1.1
101.14483	1.1
107.04897	3.1
108.02017	3.6
117.00669	2.1
117.01830	1.8
134.03616	2.5
134.50894	1.2
134.86401	3.8
134.89363	9.1
135.01920	1.8
135.02887	18.6
135.04413	16.6
136.00310	1.1
136.01477	1.7
136.04831	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50790	1.0
62.54938	1.0
65.03835	33.3
69.93311	7.2
75.00705	2.1
77.40945	1.1
83.32739	1.2
89.03863	1.5
91.01740	1.3
91.05405	100.0
92.04918	2.7
92.05746	7.8
93.03335	26.4
94.03661	1.8
99.92469	2.8
106.04033	1.3
107.04919	3.3
108.02047	2.3
109.48568	1.2
127.45401	1.1
130.14700	1.1
134.03619	6.0
134.86436	2.3
134.89359	25.6
134.90396	1.3
135.04413	83.8
135.89392	1.3
136.04730	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00222	1.2
64.01804	2.6
65.00188	1.6
65.01315	10.7
65.03837	11.1
65.99723	6.0
66.00843	2.7
66.03357	3.2
66.04137	0.9
67.02896	3.9
68.01269	1.6
72.99149	1.0
73.02853	1.1
74.52717	0.7
75.00764	2.6
77.28987	0.8
80.01293	1.0
80.31047	0.8
81.04476	0.8
85.02831	2.3
87.00719	0.9
89.03852	1.8
91.01772	9.2
91.02896	1.4
91.05410	43.4
92.02419	5.0
92.04930	7.0
92.05766	3.4
92.78109	0.8
93.02759	1.7
93.03338	15.0
93.04465	3.6
94.02877	2.4
95.01234	1.1
95.02395	2.6
96.03163	4.2
98.20719	0.6
99.92455	2.1
106.04008	11.6
107.02428	1.0
107.04926	9.2
108.02050	11.7
108.04443	2.9
109.03975	3.3
116.15168	0.8
117.03381	1.5
118.04017	2.2
121.02749	1.0
134.03627	16.5
134.86470	1.7
134.89365	20.5
135.01886	3.3
135.04427	100.0
135.89384	2.6
136.01549	4.6
136.03896	3.6
136.04907	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03564	1.1
59.01249	9.6
64.01801	1.3
65.99707	5.0
70.72277	4.3
71.01235	7.6
72.99184	16.1
73.01674	1.1
75.00745	100.0
76.01083	2.5
85.02860	1.3
85.77472	1.1
85.81941	1.2
87.00749	27.2
89.02319	4.6
92.04891	2.2
93.03340	1.6
94.02849	1.1
101.14483	1.1
107.04897	3.1
108.02017	3.6
117.00669	2.1
117.01830	1.8
134.03616	2.5
134.50894	1.2
134.86401	3.8
134.89363	9.1
135.01920	1.8
135.02887	18.6
135.04413	16.6
136.00310	1.1
136.01477	1.7
136.04831	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24896	0.3
57.03325	3.5
58.03664	0.4
59.01249	2.3
64.01775	0.3
65.01320	0.5
65.99710	0.4
71.01252	100.0
71.56454	0.5
71.89250	0.3
72.01579	2.9
72.99181	30.2
73.99515	0.8
75.00743	3.0
80.27257	0.3
87.00747	5.4
87.04390	2.0
89.02319	8.4
92.02430	0.7
106.03990	0.4
107.03504	2.7
115.00254	87.2
115.91957	0.9
116.00591	4.2
133.01321	15.1
133.02896	1.2
133.04048	0.4
133.04956	7.3
134.01579	0.4
134.02490	0.6
134.03532	1.1
134.04613	6.2
145.80969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0463
Annotation	Adenine
Peak:m/z	Relative Intensity
55.14861	0.6
57.34823	0.5
57.45717	0.5
59.01230	0.5
65.01314	2.7
65.99712	0.5
68.02416	0.8
71.01242	1.5
71.44516	1.1
72.01592	1.2
72.97387	0.6
72.99170	0.8
75.00751	6.5
85.02798	0.7
87.00739	1.2
91.01762	0.7
92.02417	13.6
93.03319	1.2
99.74051	0.6
100.69215	0.6
106.04035	1.8
107.03513	48.1
107.04827	4.9
108.02005	1.0
108.03859	2.2
116.00593	0.9
134.03627	6.4
134.04608	100.0
135.01929	0.6
135.02858	1.5
135.04323	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81570	0.6
57.03328	2.1
59.01251	2.2
69.29140	2.9
69.29563	4.3
71.01255	100.0
72.01587	3.8
72.99183	26.8
73.99517	1.2
83.30054	0.7
87.00761	2.1
88.59502	0.7
89.02323	10.0
107.03504	1.0
115.00257	97.4
116.00610	5.1
128.77327	0.8
130.55032	0.8
133.01328	16.3
133.04947	2.3
134.01701	0.9
134.04584	1.8
154.00996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
59.01235	3.9
61.25394	1.2
70.97623	2.1
70.97954	3.3
71.01253	100.0
72.01580	4.5
72.99180	35.1
75.00743	5.1
87.00769	3.1
89.02349	10.0
107.03528	2.1
115.00259	86.6
116.00598	4.5
116.07214	1.4
133.01324	14.6
133.04942	5.7
134.04611	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00202	0.8
57.03325	1.9
58.56128	0.8
64.00558	0.9
65.01336	3.9
66.01635	0.9
67.02875	2.9
68.99678	0.7
69.03320	1.6
69.35577	7.6
71.01253	1.5
72.42612	0.7
73.02814	1.4
77.01324	1.3
77.17071	0.7
83.04891	3.0
85.02813	5.8
85.06463	100.0
86.06804	5.3
87.04393	2.9
89.01367	4.2
90.00883	0.9
90.01704	0.8
91.02891	3.4
98.20596	1.6
104.02435	0.8
105.04472	1.6
122.86094	0.8
129.05484	0.8
130.02760	1.1
131.03523	13.1
131.04370	1.3
131.07039	30.0
132.05582	3.6
132.07378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20973	0.6
56.43640	0.6
58.86097	0.6
59.01244	2.0
70.90607	1.2
71.01256	87.2
72.01593	2.0
72.99186	19.8
75.00767	0.7
87.00716	0.7
89.02322	7.9
115.00262	100.0
116.00627	4.7
118.93037	0.7
132.86711	0.7
133.01326	18.0
133.05034	0.8
134.01643	0.8
151.25900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.1
59.01265	2.2
65.01323	1.5
69.03316	2.4
70.77962	4.7
71.01244	7.1
72.99210	2.1
73.02819	6.3
78.66390	1.3
80.56787	1.5
85.02820	19.3
85.06465	2.6
85.99991	2.0
86.70493	1.3
87.04394	14.4
88.03934	5.8
90.15766	1.3
101.84602	1.3
109.16645	1.7
113.02307	2.3
115.18892	1.3
130.04013	7.3
130.08635	100.0
130.24536	1.3
131.03452	9.6
131.08984	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11147	0.7
59.01237	0.6
61.83966	0.6
63.03813	0.5
64.51850	0.6
65.01322	2.4
67.02872	1.1
71.01265	0.8
73.02843	0.9
77.01349	0.6
83.04892	1.8
85.02833	2.7
85.06467	100.0
86.06798	4.7
87.04411	1.2
89.01319	2.6
91.02902	1.6
98.20588	1.6
105.04451	0.8
121.94620	0.7
129.05418	1.5
131.03531	8.5
131.04373	1.4
131.07036	28.0
132.05531	1.7
132.07391	1.2
143.50740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	15.8
57.03322	33.6
57.06466	3.7
67.01765	100.0
68.02082	5.8
68.99691	29.7
70.74096	7.5
70.74451	8.5
71.01254	13.6
71.34499	3.7
72.99188	17.1
73.02827	5.5
74.42542	3.8
83.01260	8.3
83.56866	3.5
85.02820	65.6
86.03178	5.0
87.00756	8.0
88.03921	24.7
99.00771	6.5
100.78463	4.3
101.02351	8.2
111.00704	4.3
129.01848	30.8
129.07413	10.3
130.04021	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	3.8
55.01755	20.8
57.03318	37.6
59.01254	20.5
59.38178	4.0
67.01761	75.2
68.99693	77.4
69.34543	3.9
69.81040	4.2
69.85539	23.7
69.85927	9.6
71.01254	55.5
72.99180	100.0
73.02818	43.1
83.01256	24.7
85.02825	42.4
87.00747	49.1
88.03915	6.9
90.35515	4.0
97.35838	4.3
98.19815	5.1
99.00748	20.0
100.98691	9.5
101.02304	13.8
111.00765	35.0
111.61858	4.0
117.92037	4.9
129.01822	39.6
130.03963	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	17.3
57.03325	43.6
59.01254	8.4
67.01762	100.0
68.99689	35.7
71.01251	25.4
71.14790	11.3
71.15108	5.3
72.99173	15.2
82.35078	5.7
83.01250	10.9
83.04873	4.6
85.02831	40.5
88.03908	21.0
99.00745	10.4
101.02311	12.1
115.86373	5.5
124.16609	4.7
129.01811	25.4
129.03751	4.9
129.05443	8.1
130.03995	11.4
130.08614	24.4
133.14894	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.6905
Annotation	Unknow
Peak:m/z	Relative Intensity
104.31197	0.2
110.98407	2.9
141.55367	0.2
152.99489	0.3
157.09477	0.2
167.01010	1.0
185.02133	3.2
261.22113	0.5
279.23267	100.0
280.23608	5.2
280.26697	0.2
359.52942	0.2
418.97391	0.2
447.25137	38.4
448.25485	2.2
758.70880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00214	0.9
53.00209	1.6
58.02851	1.7
65.01323	12.5
65.99720	2.6
66.00838	1.4
66.03355	2.4
66.93446	0.9
67.01765	3.7
67.02886	2.0
68.01296	3.5
68.99694	6.5
69.03349	1.4
69.71156	1.9
69.71567	4.6
74.26987	1.0
78.93563	0.9
79.02885	5.4
79.05410	23.5
80.05725	1.6
81.03335	28.9
81.04440	7.3
82.02876	5.2
82.04041	4.6
91.30997	0.9
93.03360	1.8
94.02889	2.6
95.01270	100.0
95.04953	1.8
96.00803	3.1
96.01617	4.1
96.04453	3.2
97.00333	1.4
100.44260	0.9
101.35454	0.9
108.02077	2.0
117.03793	1.0
122.03601	2.0
123.00788	52.0
123.01895	10.3
123.04430	43.9
123.05437	2.6
124.00304	2.0
124.01538	14.4
124.02238	2.7
124.03946	4.6
124.04857	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
69.65372	4.0
71.01254	0.8
71.04876	0.9
73.02818	100.0
74.02346	0.6
74.03162	3.1
90.00868	0.7
99.00755	9.6
99.01353	0.8
99.92458	7.0
116.92739	12.4
117.01833	10.2
117.05533	0.5
117.92753	1.4
118.02869	0.7
118.04015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83484	0.2
55.01752	1.1
59.01257	0.5
70.00554	0.3
70.75187	0.8
71.01266	0.6
73.02818	100.0
74.03148	3.5
88.21695	0.3
99.00761	8.6
99.92461	2.3
100.92447	0.4
116.92744	4.2
117.01820	9.1
117.92776	0.4
118.02164	0.5
131.22043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.6547
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96845	2.1
98.19884	0.6
150.97903	0.7
152.99489	44.5
153.99844	0.5
171.00558	7.8
188.78831	0.3
227.03238	4.0
245.04286	33.5
246.04633	0.8
253.21716	16.2
254.22101	0.5
255.23322	0.3
261.22308	0.5
279.23282	100.0
280.23648	5.3
387.31674	0.3
415.22366	0.4
481.25717	48.5
482.26212	2.7
507.27267	88.3
508.27585	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
59.01239	0.6
64.75259	0.2
69.87359	0.5
69.87761	1.0
71.01264	0.8
73.02818	100.0
74.02309	0.5
74.03156	3.5
76.92961	0.2
84.36860	0.2
99.00761	9.0
99.92477	1.9
100.01089	0.4
114.93478	0.2
116.92735	3.6
117.01829	10.2
117.92770	0.4
118.02142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.63
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04884	0.2
96.96839	0.2
104.97346	0.2
122.00041	1.1
122.98393	0.2
127.07524	0.2
134.98441	0.3
140.01080	5.6
146.26979	0.1
152.99478	2.0
157.56960	0.2
166.02625	0.2
171.00523	0.3
191.05516	0.2
196.03731	9.7
205.19498	0.2
207.79948	0.2
214.04805	2.6
233.22739	0.6
259.20596	0.6
275.20270	0.6
277.21716	85.8
278.22095	3.2
334.57874	0.2
474.26242	100.0
475.26581	4.3
475.32996	0.3
699.16858	0.2
1090.42358	0.2
1106.51318	0.8
1133.49341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.6698
Annotation	Unknow
Peak:m/z	Relative Intensity
91.77705	0.3
96.96832	0.8
152.99486	20.3
153.99828	0.7
171.00578	1.8
178.18958	0.2
227.03218	2.8
245.04297	4.2
246.04617	0.6
253.21684	1.0
254.22188	0.7
255.23264	100.0
256.23605	4.3
430.01089	0.3
481.25693	6.3
482.26105	6.0
483.27246	72.3
484.27689	3.9
554.45398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72991	1.7
58.27098	1.5
59.01252	7.6
61.33455	1.4
66.77840	1.4
69.78822	9.0
71.01254	100.0
72.01579	2.5
74.02323	1.6
78.98671	1.4
87.00732	9.1
99.92442	1.7
100.18521	1.3
115.00271	7.8
115.91932	2.0
116.02477	1.5
116.07057	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
91.47142	0.1
96.96844	8.4
140.01071	0.4
148.98067	0.1
149.32349	0.1
150.97935	0.4
152.99493	22.7
171.00560	24.1
172.00883	0.2
188.36636	0.1
205.50606	0.1
214.04837	0.5
277.21869	0.1
382.21457	0.4
397.13266	0.1
400.22595	3.5
401.23029	0.2
474.26251	100.0
475.26642	6.0
475.31799	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10070	1.5
57.03329	2.3
59.01252	16.4
62.71478	1.5
65.01311	2.8
68.77406	1.5
70.76398	5.4
71.01256	100.0
71.04903	5.9
72.01586	4.3
72.99175	5.5
73.02853	1.6
73.03938	15.1
74.02347	4.4
80.31963	1.5
85.02820	1.8
87.00755	28.6
89.01323	3.9
89.89439	1.5
96.99182	2.4
115.00265	16.3
115.03902	2.4
115.05846	6.7
116.02433	4.1
125.57665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
81.83435	0.2
96.96838	6.9
109.00471	0.2
134.98424	0.3
150.97920	0.5
152.99489	37.3
153.99799	0.2
171.00533	0.6
187.13200	0.2
223.00043	1.6
241.01152	21.2
242.01471	0.5
255.23268	50.4
256.23590	2.6
259.02213	0.6
289.65131	0.2
291.45419	0.2
315.04828	5.7
333.05865	0.3
341.95691	0.2
391.22479	1.6
437.55884	0.2
571.28864	100.0
572.29199	8.8
572.38324	0.4
601.78699	0.2
1045.95898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6284
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03316	0.7
83.01250	2.4
84.02023	0.3
85.02825	5.6
85.99967	0.5
87.00758	8.2
87.04352	0.5
89.02320	16.1
95.01248	1.9
95.09148	0.3
96.95918	0.4
97.02835	3.0
98.20565	0.7
99.00761	1.2
99.04431	0.4
99.40078	0.3
101.02323	19.0
109.02837	0.3
109.46423	0.3
111.00776	0.7
111.04382	0.3
113.02332	11.2
115.03885	0.4
119.03377	3.8
119.08514	0.6
121.02781	0.3
123.00856	0.4
124.01554	0.3
125.01439	0.5
125.02336	7.4
127.03907	0.4
131.03395	3.9
133.04968	0.5
137.02353	0.4
137.09569	0.9
139.03847	0.4
143.03397	3.5
149.04449	0.6
161.04457	6.4
162.59648	0.3
167.03458	0.4
171.10205	2.7
179.05527	8.5
181.04845	0.4
183.10027	0.4
185.11794	0.9
191.05579	0.5
203.05452	1.1
221.06584	4.3
235.08188	2.9
245.06456	0.4
253.09216	1.8
263.07721	0.7
273.18536	0.3
277.21710	9.0
291.19638	0.7
305.08679	0.5
309.20688	7.1
322.22174	0.3
323.09821	1.1
341.10928	0.4
365.11124	0.4
379.12512	3.0
383.11923	1.7
393.04184	0.3
395.23407	0.3
397.13550	9.0
415.14612	4.2
425.12845	0.4
439.14502	1.4
449.12997	0.8
467.13831	0.7
473.74490	0.3
485.15067	2.4
523.16864	0.5
559.18774	100.0
560.19104	5.5
577.19836	33.7
578.20197	1.4
592.30237	0.4
837.41187	12.2
838.40503	1.5
898.72302	0.3
899.43024	0.3
1103.49768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.4
83.65217	0.1
85.02817	0.2
89.53503	0.1
91.01760	0.3
93.03336	0.4
95.01285	0.2
107.01278	1.5
108.02064	1.0
109.02823	0.8
113.83599	0.1
119.01269	0.1
121.02842	0.7
121.53850	0.1
124.01566	0.2
125.02369	0.2
132.14925	0.1
135.00766	0.6
135.04445	0.2
137.02391	0.2
148.01575	1.1
149.02277	0.2
151.00279	5.3
152.01022	0.2
153.01819	0.2
155.04959	0.2
159.04425	0.1
161.02417	0.2
163.00298	1.3
164.01041	0.5
165.01884	0.2
169.01350	0.5
169.02817	0.2
171.04427	0.3
173.06010	0.2
175.03925	0.2
178.52283	0.1
178.99789	2.7
183.04431	0.3
185.06120	0.2
187.03955	0.5
189.05661	0.2
190.99809	0.2
191.05505	0.6
192.00587	0.3
198.03209	0.2
199.03923	1.0
201.01817	0.3
201.05525	0.3
202.02763	0.1
203.03458	0.3
211.03937	1.0
215.03482	0.6
216.04175	0.5
226.02615	1.0
227.03447	3.8
227.05727	0.2
228.03952	0.3
229.01385	0.2
229.05043	0.7
231.30937	0.1
239.03549	0.3
241.04886	0.2
243.02969	8.8
244.03578	0.7
245.04517	0.6
254.02222	1.5
255.02982	25.0
256.03369	1.4
257.04633	0.2
271.02484	49.4
272.02957	3.2
273.04010	0.6
283.02399	0.6
284.03296	2.8
285.04031	2.4
286.04276	0.2
295.10815	0.3
299.01974	2.7
300.02747	87.4
301.03452	18.8
302.03778	0.8
334.63583	0.1
341.02707	0.2
390.14178	0.1
445.07822	3.1
445.24521	0.2
446.08456	0.2
463.08859	0.9
477.51904	0.1
504.08923	0.2
505.09888	100.0
506.10223	5.8
548.30951	0.2
593.15070	4.1
594.15131	0.3
635.16132	1.4
643.25256	0.2
661.24701	0.9
675.26746	0.2
693.28027	0.5
1093.29834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	60.2
96.96835	4.9
152.99487	61.8
171.00537	16.1
224.82211	2.3
227.03363	3.8
245.04294	78.9
253.21716	42.6
282.36264	2.3
316.04111	2.2
481.25763	100.0
482.26077	6.0
764.56738	2.6
870.79175	2.5
1139.48230	18.7
1140.48071	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.712
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03334	3.8
83.01261	2.3
83.04396	0.4
83.04897	8.8
84.05222	0.3
85.02819	1.7
87.00751	0.3
89.02324	2.7
95.01287	0.4
97.02807	0.2
101.02322	8.3
102.02622	0.3
108.04413	0.3
113.02335	3.6
117.22153	0.2
119.03384	1.2
125.02311	0.2
125.07090	0.7
131.03397	0.5
135.04300	0.2
137.02367	0.3
143.03406	0.9
143.08095	0.3
149.04425	1.8
151.00357	0.2
152.01035	0.2
161.04451	2.4
165.05403	0.3
166.02608	0.5
173.04388	0.3
179.03171	0.2
179.05580	0.6
181.04961	0.6
191.05562	0.8
203.05511	0.4
207.14932	0.8
221.06631	0.9
224.17679	2.1
225.16037	11.3
226.16389	0.4
242.18639	0.8
250.15591	0.3
295.36649	0.2
296.49103	0.2
309.21820	0.8
324.26526	0.5
333.22958	0.7
341.29071	0.6
347.81808	0.2
351.24185	0.2
367.27240	1.4
371.20560	1.0
379.27411	0.2
385.28265	0.4
413.21979	1.7
417.15536	0.4
433.31705	1.0
450.34521	1.6
451.32867	8.7
452.33142	0.7
535.38263	0.3
550.43237	1.1
559.39600	0.6
565.44507	0.4
593.43939	0.9
659.48785	2.5
660.48547	0.4
677.49701	100.0
678.49994	12.5
679.50586	0.3
731.88654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6395
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	31.2
96.96844	2.7
96.97417	0.2
129.08600	0.1
150.97940	0.5
152.99490	43.5
153.99844	0.4
171.00557	12.3
227.03194	2.6
245.04286	60.9
246.04610	1.1
253.21707	29.0
254.22049	1.3
296.56339	0.1
306.05524	0.1
316.08881	0.1
408.33856	0.1
481.25705	100.0
482.26068	6.9
510.94089	0.1
693.54358	0.1
865.76581	0.1
889.57208	0.1
1091.54456	0.2
1137.90100	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95737	0.9
81.36619	0.9
83.01246	3.9
93.03350	0.8
95.01249	1.1
96.99174	2.4
107.01287	10.7
109.02854	4.7
109.47498	0.9
109.99970	4.1
110.06686	1.0
111.00762	4.1
121.02830	3.5
123.00751	3.3
124.01478	1.1
124.98726	1.4
125.02358	2.4
127.00327	1.1
132.02138	0.9
133.02856	1.1
135.00761	1.4
136.98682	1.0
137.02370	1.3
137.99495	1.7
139.00282	9.8
141.01892	0.9
143.04955	2.4
145.02821	1.8
147.04407	1.7
148.01564	1.9
149.02350	2.5
151.00284	33.6
151.01495	1.7
152.00999	2.8
153.98949	3.0
154.99759	8.1
157.02896	1.2
159.04424	4.1
161.02316	1.5
163.00270	6.0
163.03911	1.4
164.01067	2.1
164.98178	1.5
165.01828	1.2
165.99034	5.9
166.99751	4.0
169.01367	6.2
171.04367	2.7
173.02386	2.1
174.03162	1.5
175.00240	1.2
175.03938	2.6
176.00926	1.6
177.01848	2.7
178.99783	32.2
180.00336	0.9
181.98497	4.5
187.03931	7.0
189.01866	2.8
189.05623	0.9
190.02615	1.3
190.99799	1.1
191.03362	1.2
191.05411	1.3
192.00563	1.3
193.01291	2.7
194.99284	3.1
198.03136	1.2
199.03975	4.4
201.01875	4.1
203.03418	9.2
206.99268	1.7
207.02849	1.1
207.99962	1.2
211.03915	1.3
213.01791	2.0
215.03384	5.6
216.00435	1.1
216.03987	1.1
217.01294	3.0
217.04988	1.1
219.02856	2.8
226.02699	1.2
227.03455	4.9
229.01355	2.3
231.02979	6.6
242.02180	2.8
243.02965	19.2
244.03311	1.3
245.00832	1.7
245.04445	2.7
247.02284	1.4
254.02132	2.3
255.02951	28.8
255.07100	1.1
256.03452	2.6
257.00897	2.1
258.01654	1.5
259.02393	4.9
261.03946	1.5
269.00967	1.7
270.01633	2.8
271.02472	70.9
272.02972	6.0
273.03879	2.0
283.02554	1.2
286.01175	3.7
287.01974	41.3
288.02658	5.1
289.03503	3.0
297.00494	1.6
299.01996	14.2
300.02744	90.2
301.03479	40.8
302.03638	2.2
303.01459	3.2
304.02063	1.6
314.00516	1.8
315.01468	79.2
316.02170	29.2
317.03024	14.7
331.01071	1.8
332.01740	25.9
333.02515	7.2
357.88278	1.2
395.06287	2.0
401.06931	1.8
463.08820	1.6
493.09692	2.1
495.07919	2.5
503.08466	1.9
504.08859	1.1
505.09906	100.0
506.10251	9.1
519.07477	4.2
521.09344	49.3
522.09558	3.3
524.20123	1.3
536.08496	1.1
537.08881	69.1
538.08978	3.5
989.12897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	36.7
96.95895	0.5
96.96844	2.6
109.02843	0.5
123.17101	0.4
150.97949	0.5
152.99489	47.8
153.99744	0.4
171.00560	13.3
180.16405	0.4
227.03165	2.7
237.96504	0.4
245.04288	67.9
246.04709	1.1
253.21710	30.0
254.22037	1.4
277.21710	0.8
296.12943	0.4
359.09183	0.8
399.33810	0.4
456.51083	0.4
481.25717	100.0
482.26004	6.7
594.52850	0.4
685.27039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	15.3
57.03328	36.5
59.98081	5.8
69.03320	14.0
69.16346	6.4
70.59114	22.1
71.01251	16.8
71.59863	5.8
72.00784	18.3
72.99178	8.7
75.76474	8.0
79.65215	5.6
84.02028	12.4
85.02829	100.0
86.02360	9.6
96.00790	16.9
112.75124	5.9
113.02347	58.3
113.03471	9.0
114.01870	22.8
114.02632	7.8
114.05496	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65971	1.9
55.01766	13.1
57.03323	34.6
58.02846	3.4
67.01757	3.6
68.99432	6.4
69.03333	6.3
70.71499	5.4
71.01256	10.9
71.02377	7.6
72.00762	9.6
72.99161	2.4
83.01253	8.5
83.38510	2.1
83.90907	2.3
84.02048	16.3
85.02823	100.0
86.02342	4.1
86.03151	4.8
87.62797	2.0
95.01266	6.2
96.00785	3.6
102.42868	2.3
103.10107	2.1
103.11227	2.0
113.02338	29.0
113.03476	4.9
114.00861	2.8
114.01856	5.1
114.05474	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
80.85802	0.2
81.03341	0.2
83.01257	0.3
84.02069	0.2
85.02834	0.7
89.02328	0.2
91.05428	0.9
93.03342	0.9
95.01272	0.5
101.02341	0.7
109.02839	2.7
111.00793	0.2
113.02312	0.2
117.07005	0.9
119.03355	0.4
119.04963	0.2
121.02847	2.4
121.06436	0.2
123.00770	2.1
123.04412	0.6
124.01517	0.3
125.02357	0.5
133.02858	0.3
135.04417	9.3
136.04807	0.2
137.02353	6.4
139.00302	0.5
139.03918	0.5
147.04422	2.0
149.02373	0.9
149.05991	0.6
150.03107	0.3
151.00275	15.8
151.03868	0.8
152.01082	1.1
152.04716	1.5
153.01831	0.5
153.05464	1.3
154.02643	0.3
159.04381	0.3
161.02432	0.3
161.05994	9.5
162.06339	0.4
163.03925	0.3
164.04750	0.4
165.01883	0.7
165.04103	0.4
165.05490	6.6
166.02632	40.2
167.03409	1.9
173.04466	0.3
173.06015	0.2
175.03917	0.9
175.07487	0.2
176.04663	0.2
177.01860	2.3
177.05391	0.3
178.02640	0.3
179.03433	0.6
179.05515	0.4
179.07060	5.5
179.74715	0.2
180.07387	0.3
181.04991	52.9
182.05310	1.9
184.03729	0.7
188.04816	0.2
189.05553	0.3
190.02686	0.3
190.06364	0.9
191.03389	0.6
191.05524	1.0
191.07106	0.7
192.04227	0.8
192.05786	0.2
193.05013	0.8
195.02963	0.3
199.02403	0.2
203.03438	0.3
205.05029	0.6
205.08592	1.0
207.06558	0.6
217.04947	0.2
219.06596	0.7
220.07414	0.2
220.38205	0.2
224.03131	0.3
229.95074	0.3
235.05984	0.3
243.03008	0.2
255.02925	0.5
259.10086	0.2
271.02435	1.1
284.03210	0.2
285.03998	0.5
300.02765	2.2
301.03702	1.5
301.07217	0.4
301.10791	5.2
314.07944	0.2
316.09689	0.4
326.07867	0.2
329.10184	0.4
335.12769	0.3
357.09717	0.5
359.11319	1.6
371.15042	0.3
387.10861	11.7
388.11200	0.8
402.13150	8.3
403.13635	0.6
417.15540	100.0
418.15912	6.9
419.16177	0.7
420.16486	0.2
463.08917	2.9
463.16104	10.6
463.21765	0.7
464.09155	0.3
464.16409	0.8
561.19720	0.3
1129.38794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01261	7.1
85.02814	1.2
87.00745	0.5
89.02307	1.6
91.05404	5.1
93.03333	1.5
93.91877	0.2
97.02826	0.5
99.00770	0.4
101.02322	16.1
108.02061	0.4
109.02833	3.4
113.02332	3.4
113.05173	0.3
119.03366	0.8
119.50001	0.2
121.02853	3.2
125.02321	0.6
131.03389	1.6
133.02831	1.1
134.03642	1.8
135.04413	27.7
136.04755	0.7
137.02347	0.4
143.03386	0.9
147.04427	0.9
148.05188	0.5
149.04448	1.5
155.03459	0.4
159.04370	0.5
160.05209	0.7
161.04475	3.5
173.04488	0.3
175.07541	1.3
180.04131	0.4
191.05518	0.8
203.05605	0.3
211.89267	0.3
213.96762	0.2
221.06598	0.5
267.06677	0.3
281.08286	0.7
297.11322	11.9
298.11719	0.6
315.12411	0.5
397.15170	0.6
459.16595	0.4
477.17554	1.0
519.18701	100.0
520.19031	7.6
563.21313	1.0
590.76440	0.3
691.43921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	64.8
96.96857	5.7
106.62924	0.7
130.22426	0.7
140.08450	0.7
150.97919	1.1
152.99493	64.4
171.00549	16.7
227.03174	4.3
228.21030	0.8
245.04288	76.0
253.21703	40.0
254.22136	1.6
290.92670	0.7
388.81299	0.8
481.25732	100.0
482.26126	4.7
572.09064	0.8
631.89099	0.7
657.80273	0.8
753.30597	0.8
818.49866	0.7
879.38477	0.9
935.79437	0.8
1023.62024	1.0
1058.66394	0.8
1123.48889	14.8
1124.49023	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1124.7749
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	1.6
81.03341	0.5
81.99970	0.3
83.04885	0.5
88.40797	0.3
95.04930	0.7
97.02837	0.6
107.04941	0.9
109.06493	0.6
110.03676	0.4
111.08079	0.5
119.74944	0.3
121.06485	1.4
121.10119	2.1
123.04415	3.8
123.08060	4.9
125.09591	0.5
131.04912	0.4
137.05994	0.5
137.09642	0.7
139.11183	2.9
142.02586	2.0
146.07280	0.4
148.08853	0.4
149.05994	0.9
149.09634	0.8
151.11182	2.5
152.99561	0.6
155.14354	1.6
165.12691	0.3
171.10190	6.7
177.12778	1.0
183.10286	0.6
185.11748	0.9
191.14384	0.4
199.11455	0.7
199.13324	13.7
201.11232	1.1
211.13701	0.3
217.15843	0.3
221.11841	1.1
231.21208	0.5
233.15421	1.2
238.11932	0.3
239.12851	0.5
245.19060	7.0
246.19431	0.6
247.17061	1.1
261.18521	0.5
263.19913	0.3
271.17105	1.7
273.15198	0.5
275.20157	8.4
276.20523	0.6
283.26459	4.1
289.18097	52.4
290.18387	3.3
291.19656	0.8
293.21228	11.9
294.21512	0.7
307.19141	100.0
308.19492	5.2
309.20694	1.2
316.09839	0.4
400.16071	0.3
454.48584	0.4
508.34058	4.1
509.34378	0.5
601.40894	1.9
685.11865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03297	0.2
83.01265	1.1
83.89963	0.2
85.02831	1.1
88.29939	0.2
89.02306	1.9
93.03352	0.2
95.01247	0.8
97.02843	0.2
98.19781	0.4
101.02316	3.9
107.52353	0.2
109.02838	1.4
111.00746	0.2
113.02325	2.0
119.03400	0.9
121.02849	0.4
123.00764	2.6
123.04432	0.3
124.01633	0.3
125.02369	1.1
131.03409	0.4
131.05002	0.2
135.04451	0.3
137.02339	7.0
138.03001	0.2
139.03911	0.5
139.95146	0.2
143.03410	0.4
147.04323	0.2
149.02354	0.7
149.04448	0.7
149.05678	0.2
150.03098	0.2
151.00272	17.3
151.03864	0.9
152.01045	0.9
152.04703	1.2
153.01839	0.4
154.02669	0.3
155.03380	0.2
159.04454	0.3
160.05156	0.2
161.02431	0.2
161.04465	1.3
163.03932	0.4
164.01086	0.2
164.04738	0.3
165.01791	0.8
166.02623	42.9
167.03317	2.1
168.04089	0.2
173.02327	0.3
175.03877	0.9
177.01839	1.9
177.05611	0.2
178.02559	0.4
179.03455	0.6
179.05502	0.7
179.07045	0.3
181.04982	54.6
182.05322	1.4
184.03694	0.7
189.05455	0.3
190.02594	0.4
190.06264	0.8
191.03455	1.0
191.05392	0.3
192.04198	0.8
193.05013	0.8
195.02914	0.4
203.03502	0.2
203.05490	0.2
205.04968	0.7
205.08650	1.1
206.05904	0.2
207.06516	0.9
209.04506	0.2
218.05847	0.2
219.06631	0.3
220.07355	0.3
221.04440	0.2
221.06564	0.3
223.06003	0.2
271.02551	0.3
271.06094	0.2
300.06375	0.2
301.07230	0.3
311.09225	0.2
316.09344	0.2
329.10297	0.5
341.10361	0.3
356.12451	0.3
357.09891	0.3
359.11301	1.4
371.15186	0.4
371.20532	0.6
372.08432	0.3
387.10840	13.0
388.11243	0.8
402.13177	7.4
403.13486	0.5
413.21939	0.9
417.15524	100.0
418.15869	6.2
418.21555	0.3
419.16129	0.3
444.96719	0.2
561.19458	0.5
630.33734	0.2
651.85406	0.2
779.05176	0.2
793.92603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.65
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	6.9
98.39172	0.3
101.06588	0.3
110.98418	4.9
112.24166	0.3
126.38710	0.3
152.99484	0.7
167.01094	2.7
185.02151	4.1
255.23402	0.4
261.22223	0.5
279.23282	100.0
280.23657	6.0
311.39056	0.3
447.25156	48.5
448.25516	3.5
483.26761	0.4
508.29419	0.3
633.83344	0.3
655.88403	0.3
867.45264	0.5
956.19202	0.3
1071.50061	1.5
1072.51965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01276	0.7
91.01784	0.4
93.03320	0.4
95.01273	0.6
98.19790	0.5
107.01259	2.2
108.02077	0.5
109.02838	1.8
109.98266	0.3
109.99277	0.5
109.99984	6.3
111.00771	2.8
121.02841	1.1
121.57257	0.3
123.00771	1.6
124.01589	0.4
125.02339	0.5
125.99445	0.4
135.00804	0.5
136.98674	1.4
137.02316	0.3
137.99471	2.5
139.00278	7.8
139.05139	0.3
148.01611	0.7
149.02365	0.9
150.99118	0.6
151.00276	8.1
151.01489	0.4
152.01024	1.1
153.01886	0.4
159.04404	0.6
161.02330	0.6
163.00291	1.8
163.03918	0.4
164.00990	0.9
164.98170	0.7
165.01799	0.4
165.98996	8.0
166.99765	4.0
169.01312	0.9
171.04401	0.9
174.03117	0.5
175.00249	0.3
175.03926	0.5
178.99782	8.9
182.78557	0.3
183.04396	0.5
187.03903	0.9
189.01756	0.3
191.03398	0.3
191.05519	0.4
193.98474	0.7
194.99297	0.9
198.03139	0.8
199.02328	0.3
199.03860	1.6
201.01895	1.8
202.02655	0.4
203.03392	1.3
206.99223	0.6
208.00204	0.4
211.03851	0.7
214.02666	0.9
215.03415	1.5
216.04236	0.5
219.03101	0.4
226.02696	1.7
227.03423	3.5
229.01352	0.4
229.05045	0.3
230.02124	0.4
231.02896	1.3
241.01427	0.4
242.02159	1.9
243.02963	8.1
244.03658	1.5
245.04486	0.8
254.02264	1.0
255.02963	14.0
256.03391	0.6
259.02512	2.1
260.02902	0.6
270.01688	3.7
271.02475	48.3
272.02936	3.4
273.04065	1.5
283.02560	0.7
287.01971	15.0
288.02505	2.1
289.02652	0.3
298.01151	0.6
299.01968	16.1
300.02737	44.4
301.03482	17.6
302.03720	1.4
314.00836	0.3
315.01465	2.8
316.02231	56.1
317.02954	23.9
318.03372	1.1
463.08640	1.1
479.08167	2.5
505.09891	52.0
506.10175	6.4
507.10001	0.7
519.07697	0.8
520.08575	1.8
521.09375	100.0
522.09698	9.1
565.16858	0.8
857.52020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	38.0
80.39531	0.1
83.04898	0.2
96.96843	6.6
98.54340	0.1
105.26939	0.1
150.97908	0.7
152.99493	50.7
153.99841	0.4
171.00555	1.4
191.05551	0.3
193.10640	0.1
206.63759	0.1
223.00098	6.5
224.00511	0.2
233.22888	0.1
241.01157	14.6
242.01454	0.3
259.02228	1.1
259.20718	0.3
275.20093	0.4
277.21719	29.3
278.22052	1.7
315.04883	6.6
333.05963	0.7
439.13269	0.2
474.25671	0.2
592.30219	0.2
593.27325	100.0
594.27643	6.4
594.37268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79753	5.5
55.01765	30.2
55.59906	5.6
65.57507	5.8
66.59695	5.8
67.01757	41.5
68.99695	10.3
71.56261	9.0
78.95779	99.4
79.95604	10.1
83.01264	74.2
83.69149	5.2
91.18085	5.3
110.97513	28.4
111.00775	100.0
111.01534	7.5
111.01855	7.9
111.04411	7.8
115.05173	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.6499
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	31.1
82.33166	0.1
96.96843	0.2
98.20604	0.3
110.98413	41.0
123.65048	0.1
152.99483	4.2
156.33685	0.1
159.01749	0.1
159.26559	0.1
167.01064	1.2
168.09918	0.1
185.02126	100.0
186.02499	1.1
186.23674	0.1
253.21701	33.8
254.22112	1.3
256.97797	0.1
306.45581	0.1
421.23596	46.5
422.23935	2.1
565.29858	0.2
1103.48840	0.3
1130.64026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6709
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	24.4
96.96835	1.8
117.81539	0.6
142.28629	0.6
149.15373	0.5
152.99496	38.3
153.99832	0.8
171.00551	9.2
172.17885	0.6
201.95609	0.7
227.03214	2.8
245.04300	52.6
253.21710	23.9
255.23244	1.1
363.25671	0.6
459.03778	0.7
481.25723	100.0
482.26013	5.0
483.27054	0.6
558.16278	0.6
627.06702	0.6
644.63702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
76.18967	0.3
83.01247	0.6
87.67696	0.2
89.68014	0.3
93.03331	0.5
107.01254	2.0
108.02055	1.0
109.02848	0.9
117.03413	0.3
121.02818	0.9
125.02350	0.3
135.00699	0.6
138.25558	0.2
148.01559	1.2
151.00269	5.1
153.01878	0.5
163.00293	1.5
164.01085	0.5
167.03339	0.3
169.01376	0.7
178.99771	2.3
183.04475	0.4
187.03958	0.7
191.05508	1.2
192.00529	0.3
199.03909	0.9
201.01857	0.3
202.02675	0.3
203.03526	0.4
211.03918	0.8
213.01845	0.3
215.03403	0.5
216.04260	0.4
216.43401	0.3
226.02664	1.1
227.03439	4.0
229.04980	0.7
239.03299	0.3
243.02956	9.1
244.03374	0.5
245.04532	0.9
254.02174	2.0
255.02963	25.9
256.03326	1.6
271.02472	50.7
272.02972	3.6
273.03842	0.5
283.02457	0.8
284.03293	2.9
285.03989	3.0
299.02054	2.0
300.02737	84.0
301.03445	20.7
302.03748	1.0
335.12332	1.2
336.12851	0.5
346.56158	0.3
401.84668	0.3
445.07776	3.8
446.08005	0.6
463.08640	0.9
505.09872	100.0
506.10223	6.9
507.10748	0.4
593.15057	6.7
594.15240	0.5
872.91730	0.3
1122.25781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01255	6.1
93.03352	5.0
94.69653	1.0
95.01269	3.0
107.01275	15.7
108.02104	2.4
109.02825	4.2
109.99963	4.8
111.00750	4.0
117.03336	2.0
119.04869	1.3
121.02862	3.3
123.00806	4.4
123.04432	1.0
124.01563	6.8
125.02329	7.0
127.00338	1.1
132.02080	1.1
133.02863	1.5
135.00780	2.8
135.04378	1.1
137.02335	5.2
137.99492	2.0
139.00256	7.2
143.04927	2.8
144.59303	1.0
145.02829	2.0
147.04417	1.1
148.01578	1.2
149.02344	1.6
151.00273	51.7
152.01059	35.9
153.01868	4.7
153.98962	2.4
154.97264	1.0
154.99760	4.8
155.04922	2.9
157.02855	1.8
159.04373	4.9
161.02351	3.0
163.00279	8.8
164.01038	3.7
165.01837	3.7
165.99019	5.7
166.99745	3.5
168.00592	1.0
168.51273	1.0
169.01350	9.0
171.04391	4.5
172.05067	1.0
173.02316	1.5
174.03133	1.4
175.03882	2.6
178.99785	46.0
180.00090	1.3
181.98465	3.9
183.04428	5.1
184.04997	1.0
185.02348	2.2
185.05989	2.4
187.03940	5.8
189.01892	1.8
190.99812	1.1
191.05562	1.6
192.00534	2.5
193.01344	8.0
194.99246	1.4
197.05988	1.2
198.03064	1.3
199.03915	7.2
200.04410	1.1
201.01868	4.4
201.05510	2.1
203.03462	6.2
205.01430	1.5
206.99301	16.8
207.03020	1.2
208.00076	28.7
209.00844	9.0
211.03937	4.3
213.05489	2.3
214.02571	2.0
215.03429	4.6
216.04184	1.7
217.01344	1.2
217.04927	1.5
219.02995	1.6
226.02727	1.6
227.01363	1.9
227.03453	28.2
228.03957	2.4
229.04921	7.8
231.02971	8.4
232.03403	1.4
239.03452	2.2
241.04932	1.7
242.02144	2.5
243.02954	14.1
244.03477	1.3
245.04558	2.0
245.14357	1.0
255.02959	67.5
256.03391	6.7
257.04510	5.7
258.76089	1.0
259.02505	4.6
269.04614	1.8
270.01746	2.5
271.02472	76.7
272.03024	8.9
273.04010	4.1
283.02457	14.3
284.00003	1.7
284.03253	61.1
285.04010	66.8
286.04346	4.3
287.01947	10.7
288.02563	2.1
289.03528	2.3
297.03952	2.1
298.01239	2.3
299.01959	100.0
300.02670	45.3
301.03510	32.7
302.03769	2.4
315.01526	2.4
315.98502	2.2
316.02185	36.0
317.02917	21.9
341.02890	2.7
371.06180	22.9
395.06210	2.6
413.07297	17.5
439.05402	1.4
457.06412	1.0
461.07291	1.2
487.08862	2.3
488.09561	1.9
489.10367	74.7
490.10812	9.1
503.08218	10.4
504.08502	2.7
505.09842	50.8
506.10098	4.0
521.09332	68.5
522.09760	7.0
643.74609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01262	7.3
93.03338	1.7
95.01276	1.6
105.41994	1.0
107.01283	13.3
108.02110	1.4
109.02840	4.3
121.02850	3.3
124.01573	4.2
125.02351	1.9
151.00270	35.9
152.01067	5.6
153.01906	6.5
153.83821	1.2
163.00325	2.7
169.01355	14.3
174.03085	1.4
175.00288	2.0
175.03909	2.0
178.98201	2.4
178.99776	39.9
179.05724	1.2
180.00121	1.2
181.01355	1.9
191.05513	3.1
192.00603	1.5
193.01320	3.3
198.03081	1.1
199.03947	2.7
211.03947	1.5
213.01839	2.9
225.01907	2.4
226.02704	3.3
227.03488	4.0
239.03453	1.3
241.01375	1.8
242.02225	1.7
243.02859	5.4
253.01460	4.3
254.02206	4.2
255.02979	14.3
267.02939	1.9
269.00894	27.0
269.03940	1.3
270.01422	3.5
271.02505	23.4
272.02982	1.8
281.00943	4.0
282.01575	2.7
283.02496	4.8
295.02505	1.1
297.00348	3.1
297.03738	1.4
299.01865	6.1
300.02737	21.5
301.03354	2.4
317.04691	1.5
335.05637	1.4
345.04172	2.2
347.05624	3.4
361.03555	2.1
373.03558	4.6
375.05081	2.9
389.02936	4.7
391.04584	2.0
403.04837	3.1
404.05392	3.7
405.06302	7.4
407.04102	3.6
417.02658	2.3
418.03281	12.0
419.04120	29.0
420.04608	4.0
421.05835	5.3
431.04010	2.5
433.02097	2.9
446.97955	1.3
447.03583	4.1
448.04175	4.6
449.05124	4.2
451.03049	1.3
472.56323	1.2
583.05341	4.7
601.06189	39.6
602.07117	1.9
609.14746	1.5
623.10382	2.9
625.13995	14.4
755.20172	15.4
763.11060	4.4
787.11646	1.8
805.12592	100.0
806.12665	8.3
857.16614	2.8
934.63373	1.3
967.17975	12.8
1009.18842	68.1
1010.19568	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01241	0.4
85.02819	0.3
93.03357	0.5
107.01267	1.7
119.87608	0.2
132.02098	0.8
135.00798	0.5
135.04382	0.4
145.02766	0.3
151.00291	2.6
163.00241	1.1
164.01048	0.4
169.01312	0.6
169.85030	0.3
171.04436	0.3
172.82529	0.2
173.04398	0.3
177.58873	0.3
178.99803	1.2
183.04445	0.8
185.02373	0.6
187.03894	0.5
191.05499	0.6
195.04474	0.3
199.03938	0.8
211.03915	1.8
213.05550	0.3
227.03452	31.6
228.03889	1.0
229.05037	1.4
239.03421	0.9
241.04863	0.3
255.02969	59.8
256.03558	4.4
257.04507	1.2
271.02545	0.4
283.02539	1.5
284.03265	72.7
285.03934	11.5
285.08932	0.3
300.02655	0.4
309.04138	0.4
327.05157	0.4
339.04941	0.4
387.48419	0.3
575.14178	0.5
609.14917	0.4
739.20917	100.0
740.21210	6.9
851.83356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
80.41333	1.5
83.01262	7.0
87.00742	1.5
93.03337	2.3
95.01281	2.7
98.20515	2.6
107.01284	18.7
109.02865	2.3
111.00757	1.6
121.02840	3.6
124.01563	5.4
125.02383	2.3
133.02855	1.6
135.04425	2.3
137.02351	2.5
149.02324	2.4
151.00275	38.1
152.01059	12.7
153.01811	10.6
161.02295	1.6
163.00310	1.5
169.01358	16.9
175.00291	2.1
178.99786	57.6
180.00153	2.8
181.01366	2.8
190.99797	1.8
191.05638	3.2
192.00479	1.6
193.01326	3.8
199.03864	2.8
211.03981	2.4
213.01805	3.7
214.02573	1.7
215.03520	2.1
225.01901	3.1
226.02727	3.4
227.03452	13.1
228.03838	3.1
241.01289	2.3
242.02124	4.0
243.02907	4.5
253.01442	3.9
254.02121	2.3
255.02994	23.7
256.03522	7.3
268.98239	3.0
269.00925	36.8
270.01477	2.2
271.02502	17.0
272.02899	2.0
281.00949	3.6
282.01709	4.4
283.02438	4.3
284.03247	17.7
285.03586	9.0
286.03882	1.8
295.02576	2.3
297.00537	3.5
299.01959	6.5
300.02762	13.1
333.04077	1.9
336.29327	1.5
347.05429	2.0
361.03409	2.4
373.03418	4.5
375.05060	3.9
389.03101	3.8
390.03604	2.4
391.04715	2.3
401.17831	2.2
403.04489	4.5
404.05460	2.2
405.06308	9.0
418.03168	17.1
418.98349	2.3
419.04059	45.0
420.04568	5.0
421.05798	9.9
443.19110	3.5
447.03528	6.5
448.04193	7.5
449.05161	8.0
582.04175	2.0
583.05035	4.9
601.06305	40.1
602.06396	2.9
609.14557	12.0
610.15039	3.8
623.10376	2.7
739.20721	5.2
740.21118	13.4
741.21997	6.7
745.10693	2.3
763.11475	4.8
805.12610	100.0
806.12927	12.4
857.18097	3.0
967.17133	10.4
971.63672	1.8
1009.18988	67.1
1010.18762	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00226	6.4
58.02850	12.0
60.80812	0.5
62.40595	0.5
64.01801	1.2
64.04456	0.5
65.01315	4.1
65.99718	0.8
66.00830	1.0
66.01637	0.7
66.03349	1.7
67.02884	100.0
68.01286	5.4
68.02412	1.3
68.03212	3.1
71.58116	0.8
79.02893	1.4
81.03365	1.3
81.04474	0.6
81.99226	0.8
82.02865	18.3
108.02055	5.9
109.02845	23.1
109.03968	23.8
110.02379	1.8
110.03225	0.8
110.04321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01251	0.5
94.24667	0.4
98.19762	0.7
107.01250	2.3
108.02050	1.0
109.02835	1.3
119.01336	0.3
121.02843	1.4
137.02341	0.5
148.01575	1.1
150.99133	0.7
151.00282	9.8
156.43719	0.3
163.00241	1.8
164.01085	0.6
169.01367	1.0
178.99774	4.6
192.00490	0.4
199.03888	1.0
211.03932	0.6
215.03281	0.6
226.02657	1.3
227.03516	2.1
229.04906	0.7
229.93843	0.6
239.03401	0.4
243.02953	8.7
244.03490	0.4
245.04425	1.1
254.02170	2.3
255.02963	23.8
256.03378	1.2
271.02469	49.4
272.02930	3.6
273.04004	0.6
283.02383	0.9
299.02036	1.5
300.02747	100.0
301.03488	38.3
302.03778	1.6
343.04782	0.6
609.14600	93.5
610.14850	6.5
634.70117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01264	0.5
85.02818	0.2
89.19341	0.1
93.03349	0.3
100.61060	0.1
107.01275	1.3
108.02055	0.8
109.02843	0.8
121.02852	1.0
123.00791	0.2
124.01566	0.1
125.02335	0.2
128.91847	0.1
134.19960	0.1
135.00755	0.3
135.04448	0.2
137.02336	0.2
145.02968	0.2
148.01535	0.6
149.02350	0.2
151.00278	6.3
152.00987	0.1
153.01793	0.3
161.02356	0.2
163.00275	1.5
163.03947	0.2
164.01065	0.2
169.01385	0.8
175.03868	0.2
178.99776	3.8
183.04494	0.2
187.03918	0.3
190.02638	0.2
191.03761	0.1
191.05560	0.4
192.00572	0.2
199.03961	0.5
201.01859	0.3
203.03441	0.2
211.03886	0.6
213.05630	0.1
215.03619	0.3
216.04247	0.3
223.24178	0.1
226.02666	0.9
227.03438	1.8
229.01247	0.2
229.04927	0.3
239.03561	0.2
243.02983	5.0
244.03571	0.4
245.04593	0.8
254.02162	1.2
255.02983	15.3
256.03336	0.8
257.04694	0.2
266.02258	0.2
271.02481	31.9
272.02972	1.9
273.03958	0.7
283.02325	0.9
283.10861	0.3
284.03265	0.2
285.03998	0.2
299.02045	1.0
300.02750	69.1
301.03482	27.3
302.03851	1.1
309.08636	0.2
327.09827	0.3
343.04483	0.5
403.11563	0.5
533.14093	0.2
565.16803	0.7
609.14600	100.0
610.14954	7.2
611.15320	0.9
670.45685	0.1
798.38684	0.2
913.90027	0.2
1051.40515	0.2
1124.60217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
81.74532	0.3
83.01252	0.8
83.71543	0.4
86.28218	0.3
93.03333	1.1
106.25211	0.3
107.01268	1.7
109.02824	0.6
109.99996	4.9
110.74339	0.3
111.00794	1.0
121.02841	0.6
123.00801	0.8
125.02291	0.5
135.00717	0.8
136.98671	1.3
137.02306	0.5
137.99548	2.1
139.00276	4.8
141.98875	0.3
143.04922	0.5
148.01622	0.4
151.00288	4.9
152.01042	0.7
152.98074	0.4
153.01808	0.4
159.04390	0.8
163.00302	1.4
164.01054	0.4
164.98213	0.4
165.98987	6.1
166.99780	2.9
167.04959	0.3
169.01314	0.5
171.04572	0.4
178.99825	2.8
183.04442	1.2
186.20468	0.3
187.03900	1.3
193.01324	0.4
193.98540	0.8
199.03932	1.1
200.04453	0.4
201.05501	1.4
208.00179	0.4
209.00928	0.3
211.03983	1.9
213.05556	0.4
215.03526	1.0
226.02679	0.8
227.03456	9.2
228.03938	1.0
229.04980	3.3
229.89622	0.5
239.03572	1.8
240.04163	0.5
241.04822	0.4
243.02972	6.3
244.03642	1.0
245.04544	0.6
254.02068	0.4
255.02972	25.6
256.03510	2.5
257.04510	1.9
271.02469	22.9
272.03073	2.4
273.03952	0.5
283.02560	2.4
283.05432	0.6
284.03281	18.4
285.04022	21.2
286.04413	2.4
287.04535	0.5
299.02081	2.0
299.09488	0.4
300.02750	50.2
301.03519	37.7
302.03897	1.4
341.02841	0.9
342.03110	0.4
392.67068	0.4
436.37137	0.3
463.09027	1.4
489.10397	27.9
490.10770	3.4
491.10861	1.2
503.08298	0.9
504.08829	1.8
505.09888	100.0
506.10123	7.3
506.17587	0.4
582.82452	0.4
646.47052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
76.33949	0.9
82.90611	1.0
83.01259	11.5
85.02834	1.8
85.67061	0.9
93.03354	1.7
95.01266	2.6
101.02357	1.4
101.93433	0.9
107.01274	25.9
109.02834	3.7
111.00792	1.4
113.02330	1.5
120.67276	0.8
121.02795	1.2
123.04394	1.4
124.01559	7.4
125.02302	3.6
133.02806	1.1
135.04410	1.2
137.02336	2.3
149.02322	1.3
151.00278	67.4
152.01057	19.4
153.01843	20.6
161.02336	1.4
163.00259	3.2
169.01343	15.5
174.02979	1.1
175.00232	1.5
175.03908	1.3
178.99789	56.6
181.01328	3.9
185.02380	1.1
190.99753	1.4
191.05498	6.0
192.00529	1.3
193.01370	3.5
198.03107	1.2
199.03871	2.8
211.03937	1.8
213.01891	1.3
223.07539	2.0
225.01877	1.8
226.02605	2.5
227.03397	4.6
229.01456	0.8
241.01422	1.3
241.05031	0.9
242.02058	1.4
253.01422	1.9
254.02162	3.1
255.02962	8.2
255.06583	5.8
256.03708	1.8
267.03421	1.6
267.06625	27.6
268.00043	1.7
269.00894	7.1
269.98062	0.9
270.01511	1.2
271.02469	3.2
281.00854	1.9
282.01572	2.8
283.02408	2.4
284.03284	5.4
285.04037	16.0
285.07666	17.8
295.02676	1.3
299.01944	2.5
300.02701	1.4
311.01987	1.0
314.05933	1.2
315.06708	1.2
317.04501	1.3
318.05478	1.2
329.04541	1.7
331.06009	3.1
345.03909	3.8
346.04794	1.6
347.05475	3.7
359.05515	3.9
373.03381	2.2
374.04117	1.8
375.05066	9.7
377.06772	1.9
387.05136	1.9
388.05820	1.7
389.06723	5.4
391.04395	1.5
393.05789	1.1
402.03940	6.4
403.04565	43.3
404.04800	2.1
405.05975	3.4
415.04596	3.6
431.03986	4.1
432.04855	2.7
433.05573	2.7
443.19394	5.5
447.08566	9.3
459.03326	1.7
463.31027	0.9
470.87262	1.0
566.04620	1.5
567.05792	3.6
585.06793	48.0
586.07135	2.2
593.15063	1.8
594.14984	1.1
599.22528	1.2
607.10724	2.1
627.08185	2.4
637.12201	2.4
647.25427	1.0
700.21130	1.0
747.11920	2.3
789.13116	100.0
790.13409	8.9
841.18085	2.9
842.19995	1.3
951.18079	4.2
993.19330	45.7
994.19464	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95744	0.3
85.02837	0.4
86.03230	0.3
87.73637	0.3
91.05408	10.9
91.07613	0.3
92.05741	0.5
93.03350	3.2
96.95903	0.4
108.02037	0.5
109.02844	15.6
110.03188	0.6
116.78907	0.3
121.02847	11.1
135.04419	100.0
136.04755	3.7
137.06006	0.5
147.04456	2.1
148.05199	3.3
149.05989	0.6
150.06609	0.3
151.03839	0.4
152.01009	0.3
159.04433	1.1
160.05226	2.8
163.07562	4.6
167.07048	1.0
175.07597	5.6
191.05527	0.8
193.08643	18.5
194.08972	0.9
297.11337	0.7
309.67883	0.4
315.12393	60.4
316.12738	5.5
317.12866	0.4
339.10800	1.1
399.23734	1.1
417.24783	0.6
459.16690	0.5
459.25739	0.6
519.18738	33.0
520.19116	4.4
521.19476	0.6
1067.37476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.174
Annotation	Unknow
Peak:m/z	Relative Intensity
76.14156	1.4
83.01257	5.1
85.02807	2.0
93.03313	3.2
97.15942	1.1
101.02340	3.1
104.92335	1.5
107.01260	16.4
109.02849	2.8
113.02337	2.5
119.04966	2.0
121.02886	1.4
123.00774	2.0
123.04443	1.5
124.01556	4.9
125.02336	3.2
133.02902	1.7
135.04410	2.0
137.02376	1.5
151.00285	45.7
151.01506	2.7
152.01079	17.9
153.01831	3.5
163.00241	3.8
169.01340	14.0
171.04398	2.5
175.00305	1.9
175.03918	3.1
178.99777	54.3
183.04434	1.4
191.05554	6.2
192.00423	2.4
193.01320	7.4
198.03113	1.9
199.03899	2.0
203.03366	2.3
211.03961	2.1
213.01917	1.7
215.03435	3.6
219.03024	2.3
225.01779	1.4
226.02615	5.3
227.03452	11.2
229.01414	1.9
237.02003	3.1
239.03416	2.9
242.02165	1.8
244.50616	1.4
253.01373	5.5
254.02246	7.8
255.03012	16.5
256.03635	2.9
266.02094	1.8
267.02994	2.7
269.00888	2.1
271.02521	7.4
279.03027	2.6
280.00046	1.9
281.00964	4.2
282.01627	1.5
283.02451	3.8
284.03296	7.8
285.04089	4.1
290.40872	1.3
293.04462	1.6
295.02481	2.5
299.02127	3.0
309.03946	2.1
311.01959	2.3
317.04453	3.5
321.04184	1.9
331.05972	2.9
335.12469	4.7
345.03998	1.9
347.05597	1.7
359.05640	3.6
361.07315	2.4
363.05029	2.5
365.03073	1.8
375.05011	2.6
377.06802	2.8
387.05270	1.9
388.02075	2.1
389.02359	12.1
389.07455	7.5
390.03455	2.3
391.05045	2.3
393.06055	1.5
403.04407	7.1
405.06400	6.4
406.02960	1.8
407.04156	11.7
415.04935	2.1
416.01837	2.5
417.02264	2.2
432.01132	2.2
433.01785	3.7
444.53085	1.5
446.02325	1.5
462.01764	1.4
511.06573	1.8
523.06500	1.7
567.05829	9.7
583.05634	2.0
585.06775	13.6
609.14795	10.2
611.10114	3.2
725.19135	2.0
747.12109	3.2
771.12347	2.4
788.12335	2.3
789.13098	77.6
790.13361	7.0
951.18066	18.8
993.19458	100.0
994.19745	12.9
1019.18030	1.7
1081.33130	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.6209
Annotation	Unknow
Peak:m/z	Relative Intensity
76.70755	0.3
78.95775	38.1
96.96837	7.6
100.90131	0.3
115.85059	0.3
131.72252	0.3
134.98450	0.5
150.97903	0.5
151.06757	0.3
152.99490	38.1
153.99835	0.6
171.00607	0.5
223.00183	1.5
227.99239	0.3
241.01151	21.3
242.01521	0.5
255.23267	48.9
256.23615	2.9
259.02155	0.4
308.33771	0.3
315.04865	5.7
319.19824	0.3
391.22488	2.1
440.48907	0.3
571.28888	100.0
572.29254	8.2
604.11963	0.5
970.88696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	0.5
89.02315	0.5
93.03329	1.5
95.01254	0.4
96.95882	0.7
101.02323	1.1
107.01272	1.5
109.02833	0.9
113.02321	0.9
113.28070	0.3
121.02862	0.5
132.02136	0.5
133.02776	0.5
135.00821	0.8
135.04395	1.0
137.02335	0.9
143.04887	0.6
149.02480	0.4
149.20547	0.4
151.00267	2.4
153.01790	0.9
159.04434	0.9
163.00308	1.3
165.01840	0.7
171.04524	0.6
175.03851	0.5
178.99767	0.6
183.04443	1.1
185.05977	1.9
187.03941	1.6
189.05495	1.1
191.05553	2.8
192.05884	0.4
195.04416	0.4
197.06044	0.5
199.03929	0.7
211.03999	1.7
213.05499	1.3
227.03458	21.2
228.03818	1.5
229.05060	7.9
239.03427	0.9
240.04147	0.9
241.05008	1.2
243.02899	0.8
255.02975	37.5
256.03519	4.4
257.04572	5.0
267.03009	0.9
271.02524	1.5
284.03265	49.8
285.04025	66.4
286.04398	5.2
287.04709	0.6
300.02747	2.9
301.03247	0.8
327.05142	1.0
353.08786	0.4
369.18976	0.5
429.21112	0.5
505.09839	1.6
593.15118	100.0
594.15430	11.6
595.15656	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	2.0
80.24039	1.3
81.03335	2.1
83.04897	2.9
84.56805	1.4
85.02834	12.1
87.00765	11.1
89.03877	1.3
93.03340	65.9
95.04903	2.3
99.04405	1.8
105.03339	10.7
107.04908	1.4
109.02811	2.3
111.04400	8.6
121.02848	3.3
123.04422	2.8
124.01553	1.6
129.01826	1.7
132.02078	2.8
133.02852	74.2
134.03651	14.9
134.45374	1.4
135.04416	33.4
137.02347	8.8
139.03949	2.4
151.03906	3.7
155.03429	5.2
160.01579	3.8
161.02383	5.8
173.04483	30.0
177.01842	38.2
178.02620	17.4
179.03395	9.8
191.05542	60.7
192.05890	1.8
211.13397	3.0
215.05457	2.9
239.29703	1.4
277.21674	5.2
308.09012	2.0
327.16217	2.5
351.07184	6.8
352.07449	2.4
404.50934	1.4
555.28418	3.0
841.47217	7.4
867.45361	25.3
868.45557	2.0
885.46368	14.6
1059.51770	100.0
1060.51868	12.0
1082.16858	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95763	1.3
80.96387	4.7
81.03323	2.4
83.04895	2.0
85.02840	6.3
87.00749	9.9
93.03334	76.1
94.97964	1.4
95.04913	1.2
96.79172	0.9
99.00738	1.3
105.03323	4.2
108.02029	1.6
109.02828	3.7
111.00762	1.3
111.04408	8.0
116.92788	1.0
121.02840	2.4
123.04443	2.1
124.01539	2.2
125.02366	1.7
127.03879	1.9
132.02075	2.3
133.01848	1.8
133.02849	34.6
134.03629	7.4
135.04413	55.5
136.04741	1.2
137.02322	7.7
139.03911	1.8
150.03105	2.7
151.03915	5.8
152.99510	1.6
155.03371	3.4
160.01521	1.5
161.02335	3.5
173.04471	43.6
177.01842	20.5
178.02597	7.7
179.03404	13.5
191.05530	44.3
192.05879	1.5
211.13361	1.9
215.05551	5.0
225.00661	1.6
277.21802	3.0
307.08298	1.3
308.09055	2.5
309.15054	1.0
327.15967	2.2
330.06146	0.9
351.07184	10.3
352.07941	2.4
481.25641	3.0
534.28967	0.9
539.15466	0.9
555.28436	13.9
556.28912	1.2
780.36987	1.1
841.47467	4.2
867.45337	18.6
868.46045	2.0
885.46179	7.8
1059.51660	100.0
1060.52014	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	0.7
91.01794	0.3
93.03339	0.4
98.31541	0.2
107.01275	2.1
108.02068	0.9
109.02832	1.1
119.01284	0.2
121.02814	1.2
125.02311	0.3
131.01781	0.2
135.00760	0.6
135.04335	0.3
143.04913	0.3
143.65755	0.3
148.01619	0.8
151.00273	7.0
153.01859	0.3
163.00301	2.1
166.24773	0.2
169.01335	0.8
171.04515	0.2
175.03923	0.3
178.99806	4.2
183.04474	0.4
187.03992	0.5
191.05544	0.5
192.00598	0.3
193.01324	0.3
199.03935	0.6
206.90256	0.2
211.03903	0.7
226.02638	1.2
227.03450	3.8
228.03850	0.3
229.04996	0.7
239.03488	0.4
243.02974	7.1
244.03432	0.5
245.04559	0.6
254.02139	1.6
255.02968	21.2
256.03455	1.0
266.02264	0.2
271.02481	37.4
272.02960	2.6
273.03958	0.9
283.02536	1.0
284.03281	4.3
285.03940	0.6
299.01978	1.3
300.02744	70.7
301.03497	33.9
302.03891	1.4
343.04559	0.3
430.18494	0.3
463.08823	100.0
464.09125	7.4
593.15100	4.8
593.23523	0.4
594.15790	0.4
609.14984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02820	21.0
83.01259	7.3
85.02821	1.9
87.00742	0.8
89.02314	2.1
91.01777	1.2
91.05417	4.2
93.03331	2.3
93.17130	0.6
95.01263	0.7
96.95887	1.2
97.02835	0.6
99.00717	0.6
101.02324	16.6
108.02044	2.1
109.02843	4.2
113.02340	4.2
118.35692	0.5
119.03416	0.8
121.02866	3.8
123.00771	0.9
125.02324	1.2
131.03374	1.3
133.02817	1.5
134.03610	1.8
135.00745	0.9
135.04419	28.1
136.04709	1.0
137.02362	0.7
143.03337	0.8
147.04402	1.7
149.04428	1.1
152.01083	1.8
153.01787	0.9
155.03430	0.6
161.02412	0.7
161.04474	2.7
173.04445	1.6
175.07529	1.3
177.01842	0.6
191.05478	4.7
216.63942	0.5
220.78194	0.6
221.06622	0.7
227.19449	0.5
229.54813	0.5
243.06625	8.1
244.07037	1.0
281.08328	0.7
297.11319	11.5
304.82437	0.6
306.24866	0.6
315.12592	0.8
397.15067	1.2
406.50424	0.6
447.12982	1.2
459.17023	0.6
477.17984	0.7
519.18707	100.0
520.19092	6.4
563.21454	1.9
788.17523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
73.11273	0.5
82.08068	0.4
83.01244	0.4
103.59584	0.4
107.01257	2.5
108.02044	1.2
109.02849	1.0
121.02854	1.3
128.05363	0.4
145.02756	0.4
148.01596	0.8
151.00279	6.9
163.00327	1.1
166.35999	0.4
169.01305	0.7
178.99785	3.8
183.04420	0.4
211.03975	0.9
215.03494	0.9
226.02731	0.9
227.03481	2.3
243.02968	6.8
244.03638	0.8
245.04454	1.2
254.02190	1.7
255.02975	18.3
256.03366	0.7
271.02466	41.5
272.02863	2.7
273.04013	0.7
283.02396	0.7
299.02075	1.2
300.02744	61.6
301.03470	22.0
302.03806	0.9
343.04327	0.5
605.25476	0.5
609.14606	100.0
610.14838	7.6
611.15576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6795
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	16.9
80.96381	0.4
92.84389	0.2
96.96850	0.3
98.19819	0.3
116.25922	0.2
122.98404	0.4
134.98459	0.2
152.98351	0.2
152.99503	3.3
159.61638	0.2
168.04236	2.6
194.05759	0.3
200.80089	0.2
224.06883	8.3
225.00636	0.2
241.13222	0.1
242.07932	1.7
255.23271	100.0
256.23615	4.3
374.82578	0.2
391.22040	0.2
414.71277	0.2
415.95511	0.2
480.30954	97.9
481.24554	0.3
481.31271	5.3
495.27460	0.7
554.34668	3.2
555.28424	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	38.6
96.96841	7.4
96.97486	0.3
98.20613	0.3
108.60763	0.2
109.98685	0.2
130.06868	0.2
134.98378	0.4
150.97908	0.5
152.99489	36.7
153.99840	0.4
161.94815	0.2
171.00514	0.6
179.05403	0.2
223.00128	1.6
236.22693	0.2
241.01144	21.3
242.01367	0.5
245.04100	0.4
255.23268	50.6
256.23608	2.7
259.02097	0.5
315.04883	6.1
333.05508	0.2
391.22488	1.8
481.25516	0.6
542.84528	0.2
571.28870	100.0
572.29236	7.3
572.38306	0.3
591.18634	0.2
816.58722	0.2
869.41864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02826	0.5
78.13389	0.3
83.04911	0.6
85.02343	0.6
85.02822	7.3
87.00748	1.5
89.02312	0.8
93.03336	4.6
95.01251	0.4
99.04389	0.6
101.02318	0.6
107.01260	0.4
108.02073	1.4
109.02840	2.4
111.04395	1.7
113.02304	0.7
117.03336	0.4
123.04406	0.4
127.03902	2.6
135.04399	0.9
137.02293	0.7
149.02321	0.4
151.00281	0.7
151.03880	0.4
152.01067	1.1
153.01834	1.7
155.03348	0.4
159.04398	0.5
161.02240	0.4
161.06018	0.4
163.00305	0.7
172.05212	1.4
173.04480	2.7
183.04460	0.8
185.06015	0.5
187.03934	0.7
187.07579	10.9
188.07863	0.5
191.05537	100.0
192.05888	2.8
197.05997	0.3
199.03917	1.2
200.04559	0.7
201.05368	0.4
205.05023	0.5
209.11794	0.7
211.04037	0.7
213.05563	0.6
213.09177	1.6
215.07040	2.1
215.43898	0.4
221.02336	0.3
221.26962	0.4
227.01321	0.7
227.03444	7.3
228.04178	1.2
229.05003	1.6
229.08560	0.6
231.10179	1.2
239.03419	0.4
241.05080	0.4
243.03177	0.4
249.23656	0.4
255.02966	9.5
256.03540	1.0
257.04526	1.0
257.08176	12.9
258.08420	0.5
269.13882	1.3
271.02432	1.4
275.09280	1.9
283.85757	0.4
284.03256	12.9
285.04031	18.8
286.04391	1.1
300.02722	2.2
301.03391	0.8
431.13766	0.9
442.29965	0.4
449.14496	7.7
449.20367	3.0
450.15262	0.8
505.10114	1.9
593.15106	27.3
594.15375	2.1
609.14545	0.4
1043.29443	0.6
1045.27612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
79.54385	0.2
91.05411	10.1
92.05727	0.2
92.49780	0.2
93.03346	2.6
106.33303	0.2
109.02837	16.0
110.03139	0.2
121.02848	10.5
133.02876	0.2
135.04414	100.0
136.04744	2.7
137.06000	0.5
147.04399	2.2
148.05222	2.6
149.05975	0.7
159.04451	0.5
160.05212	2.5
163.07549	3.9
167.07036	1.3
175.06027	0.4
175.07562	5.9
176.07898	0.2
191.07085	0.3
193.08630	19.2
194.08948	0.6
201.05632	0.2
224.64410	0.2
297.11279	1.0
315.12378	56.6
316.12726	3.2
339.10828	0.7
459.16605	0.6
519.18695	30.0
520.19061	2.5
776.11133	0.2
1016.21710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99229	0.6
93.03338	2.1
98.19794	1.1
105.74628	0.6
107.01266	1.8
132.02022	1.0
135.00761	1.6
151.00272	1.2
159.04387	0.9
163.00233	2.2
164.01025	0.7
182.66406	0.6
185.05968	1.3
187.03984	2.2
195.04417	0.6
199.03867	0.8
211.03911	2.8
213.05502	1.2
223.03958	0.7
227.03445	23.7
228.03781	1.4
229.04990	9.9
239.03497	1.3
241.04967	1.6
255.02972	54.7
256.03482	4.2
257.04544	5.5
267.02942	1.1
284.03259	73.3
285.04019	76.9
286.04446	5.3
316.20813	0.6
453.81906	0.6
489.10388	100.0
490.10736	10.8
694.70050	0.7
804.03650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02826	2.7
77.19926	0.4
77.65289	0.3
78.95775	0.4
83.01257	1.8
85.02837	2.6
87.00766	0.5
89.02322	1.6
91.01753	0.3
92.36805	0.3
95.01261	0.5
99.00774	0.7
101.02332	4.2
106.51530	0.3
107.01266	1.8
108.02070	1.2
109.02827	1.2
113.02346	2.0
119.03399	0.6
121.02833	1.3
123.08041	1.0
135.00784	0.8
148.01570	1.2
151.00284	7.7
152.99480	1.2
161.04501	0.4
163.00287	1.7
164.01077	0.9
168.96394	0.3
169.01276	0.6
171.04308	0.4
177.12769	1.6
178.99779	4.1
183.04428	0.5
195.13866	0.8
199.03946	0.6
209.11816	2.0
211.03947	0.8
216.04276	0.4
221.11751	1.1
226.02679	1.1
227.03482	2.2
227.12953	0.4
228.04042	0.4
229.05057	0.6
239.03523	0.5
243.02985	7.5
244.03531	0.5
245.04561	1.1
254.02191	1.8
255.02986	22.9
256.03409	1.0
271.02484	44.2
272.02963	3.4
273.03922	0.7
283.02399	0.8
299.02002	1.4
300.02750	79.9
301.03470	28.9
302.03876	1.6
347.08868	0.3
357.18921	0.4
401.18130	5.8
402.18817	0.4
443.19217	40.9
444.19522	2.5
463.09033	1.6
487.19458	3.8
505.09903	100.0
506.10245	7.8
700.51855	0.4
703.51074	0.4
863.22540	0.4
976.62305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
85.13358	0.8
93.03356	1.3
97.21293	0.6
98.20524	1.2
109.02816	1.9
123.00759	2.6
125.02356	0.8
135.04384	1.5
137.02338	9.0
149.02335	1.1
151.00282	22.4
151.03877	1.3
152.01024	2.0
152.04709	1.5
153.01855	0.9
163.03978	0.8
164.04585	0.7
166.02634	50.8
167.03195	2.9
171.80017	0.7
177.01817	2.8
179.03499	0.9
181.04994	60.2
182.05316	1.8
184.03702	1.1
191.05499	2.1
192.04211	0.9
193.04987	1.7
195.02927	0.8
205.05017	1.2
217.26607	0.8
231.36620	0.7
304.56805	0.7
314.08011	0.7
357.09836	1.6
359.11304	2.2
387.10858	14.1
402.13245	8.4
403.13538	0.8
410.70901	0.8
417.15533	100.0
418.15866	7.3
439.54675	0.8
761.14197	0.7
874.28705	0.8
991.69415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.6008
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99187	1.1
73.02794	0.9
81.03327	5.7
83.01239	1.0
83.04885	4.5
84.02039	10.0
85.02819	4.3
87.00761	1.8
89.02319	6.9
93.03345	1.2
93.78484	0.4
95.01275	0.9
95.04877	2.1
96.95895	2.4
97.02823	8.6
97.03457	0.4
97.06460	2.8
99.00740	1.0
99.04391	7.5
101.02331	7.3
109.02832	0.4
109.05714	0.4
109.06473	1.5
109.17420	0.4
111.04395	1.5
111.08035	1.1
113.02328	3.6
113.09610	0.5
119.03377	2.9
119.08543	1.7
123.08060	1.0
125.02340	2.6
125.09612	4.5
127.03965	0.5
127.11173	0.9
128.32196	0.4
130.45752	0.4
135.04454	0.7
135.08044	1.2
137.02312	0.5
137.09641	1.2
139.03874	0.4
143.03377	1.5
151.07594	0.7
153.09077	1.3
155.10698	0.7
161.04449	1.6
161.05914	0.5
167.03357	0.4
171.10181	48.8
172.10522	1.9
175.57724	0.4
177.12732	0.6
179.05540	2.5
179.10507	0.4
179.14322	0.6
181.12265	0.4
182.04063	0.4
185.11789	0.4
187.09630	1.3
191.05534	2.0
191.14320	0.7
193.12273	6.6
195.13847	5.5
201.11267	3.7
205.12366	0.5
207.13849	0.7
209.11749	1.0
211.13277	1.2
221.06604	0.9
221.11758	1.7
223.13345	3.7
225.11374	0.9
225.14917	2.9
228.13547	0.8
233.24577	0.4
235.08232	3.4
235.13338	7.9
237.14848	0.6
239.12834	3.0
243.12338	1.3
243.15976	1.4
251.98988	0.4
253.09163	0.8
253.14420	8.1
256.13135	0.9
263.07477	0.5
275.20120	3.9
279.19617	0.6
287.07629	0.9
291.19635	5.2
292.19870	0.9
293.21219	95.4
294.21472	4.4
305.17557	0.9
323.09476	0.7
323.18542	0.9
327.21634	0.5
341.23297	100.0
342.23642	8.4
397.13486	32.2
398.13678	1.5
415.14557	35.7
416.14838	1.2
461.24246	0.7
654.27203	1.7
691.35468	6.6
692.35608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5958
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99169	1.4
73.02826	1.7
73.70023	0.6
79.13418	0.5
81.03333	0.7
83.01260	1.1
83.04906	1.7
84.02038	5.8
85.02806	3.5
87.00732	2.9
89.02316	11.1
93.03322	0.6
95.01251	1.4
95.04883	1.2
96.95895	2.1
97.02827	5.1
97.06466	7.8
99.04398	1.7
101.02322	11.3
109.06453	0.7
111.04359	1.0
113.02329	5.0
119.03391	4.0
119.08606	0.6
121.02856	0.7
121.10128	4.4
125.02338	4.4
125.09631	2.2
127.11186	0.7
130.72359	0.6
135.04437	1.9
135.08058	1.0
137.02359	0.7
137.09689	1.0
143.03397	1.9
151.03845	0.6
161.04443	3.2
165.12744	0.7
171.10187	38.0
172.10536	1.6
173.04509	1.1
175.11130	0.7
177.12776	0.8
179.05511	2.8
183.13832	2.6
185.11765	1.4
191.05519	2.5
193.12273	10.8
197.15346	0.6
209.11758	0.6
211.13344	4.2
221.06683	1.1
221.11742	0.8
225.14912	16.8
226.15152	0.6
227.03400	0.8
231.21124	0.8
235.08171	5.5
235.16844	0.7
239.12680	0.6
243.16011	6.4
253.09193	1.3
253.14395	1.1
255.03073	0.7
258.21664	0.6
263.07678	0.9
272.16324	0.6
275.20145	17.7
276.20477	1.3
287.07779	1.2
291.19638	2.6
292.20053	0.8
293.21234	46.1
294.21573	2.6
305.08871	2.5
321.20749	1.0
323.09912	1.1
327.21887	3.0
328.22177	0.7
341.23312	100.0
342.23602	5.6
350.07837	1.1
397.13495	64.5
398.13837	3.2
415.14569	29.5
416.14877	1.7
555.14795	0.8
569.24786	2.2
595.71130	0.6
634.80835	0.6
673.34393	1.6
691.35211	6.1
692.35828	1.2
734.23035	0.9
929.52142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99180	1.2
73.02814	2.3
81.03323	0.9
83.01264	1.4
83.04901	2.4
84.02048	5.7
85.02810	3.2
87.00756	3.0
89.02320	11.3
93.03340	1.6
95.01283	1.2
95.04923	0.8
96.95882	3.1
97.02808	4.4
97.06458	6.2
99.04408	1.2
101.02326	9.9
109.02860	1.2
109.06490	0.7
111.04368	1.0
113.02339	5.8
119.03390	3.1
121.10132	3.6
125.02351	3.6
125.09596	2.2
127.11197	0.9
135.04405	1.9
137.09590	1.4
143.03401	1.9
161.04460	2.4
163.07628	0.7
165.12839	1.0
167.38983	0.8
171.10182	38.1
172.10513	1.5
173.04346	0.7
175.11179	0.8
179.05580	3.9
183.13797	5.2
185.11751	1.4
191.05513	3.2
193.12267	10.2
197.11722	0.9
211.13309	5.5
221.06596	0.9
222.74115	0.9
225.14909	15.1
229.82112	0.9
235.08163	5.3
243.15939	8.0
253.09227	1.2
253.14442	1.0
263.07782	0.9
275.20154	13.4
284.03552	0.9
287.07678	1.2
291.19611	2.0
292.20175	0.9
293.21231	53.6
294.21439	3.4
305.08771	2.6
327.21756	2.3
341.23312	100.0
342.23682	5.5
397.13495	55.8
398.13992	3.3
399.13773	0.9
415.14594	31.1
416.14963	2.1
480.69025	0.7
489.10666	0.9
673.34473	2.0
691.35248	6.8
692.36334	1.1
989.30316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.67
Annotation	Unknow
Peak:m/z	Relative Intensity
71.90197	0.2
78.95780	12.2
80.87003	0.3
84.79337	0.2
98.19769	0.7
107.68755	0.2
110.98421	8.5
118.84533	0.3
132.63652	0.3
136.66460	0.2
152.99466	1.0
153.92532	0.3
167.01050	5.9
185.02133	7.5
186.02475	0.9
187.02574	0.5
218.29372	0.2
253.21710	1.0
254.21979	0.6
255.23276	100.0
256.23618	5.7
289.76810	0.2
391.01724	0.3
421.23801	1.3
422.23965	1.7
423.25180	53.3
424.25552	4.0
424.30954	0.4
691.19061	0.3
771.44128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.324
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	0.8
71.58717	0.4
71.59064	0.4
71.92905	0.3
79.05410	1.0
85.02814	0.5
91.05414	11.5
93.03347	4.1
96.95883	0.5
103.05412	0.4
105.03322	0.4
107.04921	3.9
108.02070	2.1
108.02710	0.3
109.02840	16.0
109.06485	1.6
119.04942	1.1
121.02844	33.5
122.03684	3.1
133.02853	1.7
134.03639	11.8
135.04419	93.0
136.04752	2.9
137.02299	0.4
146.03633	1.8
147.04419	18.8
148.05228	6.1
149.05930	1.2
158.03610	0.5
159.04427	7.2
159.11697	0.7
160.05153	1.1
161.02422	0.4
161.05956	0.6
163.03954	1.1
166.02638	1.3
171.08107	0.4
172.05226	1.0
173.04568	0.6
173.05942	4.5
174.03072	0.4
174.06720	1.1
175.03996	0.6
175.07541	1.2
176.04707	3.2
177.05507	0.4
177.09129	16.0
178.09477	0.6
185.06027	0.8
187.03900	0.9
187.07584	2.4
188.04762	0.7
188.08336	0.5
189.05482	1.7
189.09143	40.1
190.09488	1.7
191.05542	2.3
197.06062	0.6
199.07646	1.1
200.04720	1.5
201.05472	0.8
201.09114	0.8
203.10713	93.0
204.11029	4.1
205.08638	4.5
214.06232	1.3
215.07175	4.1
215.10703	7.5
216.07758	0.8
217.08646	9.3
225.09018	0.5
226.06339	1.3
229.08693	3.0
243.10291	1.4
255.10262	6.6
268.07397	0.9
292.07388	1.0
293.08102	0.4
321.11313	2.2
325.14450	58.0
326.14780	4.0
347.12839	1.2
365.13919	15.7
366.14230	1.5
409.12936	0.6
435.27521	0.4
469.18362	0.6
522.14948	0.5
529.20807	100.0
530.21100	12.0
1027.42749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01226	0.4
71.58083	0.8
83.01254	0.8
93.03351	0.5
101.02290	0.6
107.01274	2.2
108.02050	1.5
109.02844	1.8
121.02803	1.4
125.02350	0.5
148.01578	0.9
150.99123	0.8
151.00276	8.7
161.73140	0.4
163.00266	2.2
164.01144	0.6
169.01341	0.7
178.99792	3.8
187.03954	0.5
190.99852	0.5
191.05479	1.2
199.03958	0.9
201.01859	0.6
207.90692	0.5
209.27148	0.5
211.04004	0.5
215.03583	0.6
226.02632	0.8
227.03491	2.5
233.96944	0.5
243.02930	7.0
244.03580	0.7
245.04596	0.7
254.02235	1.6
255.00571	0.7
255.02951	21.0
256.03360	1.8
271.02475	42.4
272.02869	3.7
273.03973	1.0
283.02451	0.7
299.02020	1.6
300.02744	83.4
301.03461	32.7
302.03720	2.7
322.49091	0.5
341.03088	0.5
463.08673	1.2
471.17905	0.5
504.08838	0.9
505.09885	100.0
506.10132	10.1
507.10834	1.0
572.36224	0.5
946.38727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	12.7
72.99189	1.2
73.02809	2.2
83.01278	3.5
85.02820	8.5
89.02311	1.5
91.01772	33.3
93.03329	3.5
95.01273	1.6
96.95937	1.9
99.00792	1.3
101.02336	5.3
105.31112	1.1
108.02068	1.5
109.02834	16.1
111.49982	1.1
113.02341	4.1
113.05940	1.1
117.50360	1.2
121.02770	1.3
123.04443	1.5
123.90019	1.2
125.02354	1.5
133.02834	1.6
135.00780	73.3
135.04364	5.5
136.01184	1.4
136.14026	1.0
137.02342	3.2
143.44917	1.1
149.02319	1.5
151.00180	1.9
152.01135	1.3
153.01840	48.6
153.03093	2.5
156.08099	1.2
161.02347	1.9
171.13872	2.6
177.01854	2.2
187.04048	1.3
189.01817	1.3
191.05484	8.5
193.08638	1.6
205.08333	1.1
209.11697	1.4
255.03061	1.8
279.05286	1.2
284.03174	3.1
285.04050	3.4
285.20721	5.1
299.02045	1.7
329.10291	1.2
339.07217	64.6
340.07553	3.8
341.07840	1.2
417.20645	1.2
429.24905	100.0
430.25201	7.1
447.25952	39.0
448.26328	4.1
489.10016	1.9
489.26987	37.2
490.27313	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37567	0.2
71.01258	1.2
75.00756	0.3
81.03307	0.2
85.02825	1.2
86.69338	0.2
87.00760	0.4
87.04387	0.9
88.84467	0.2
91.05411	10.1
93.03336	4.0
96.95850	0.4
101.02354	0.6
108.02010	0.3
109.02838	13.4
111.04424	0.5
113.02330	0.5
115.00270	0.3
119.04884	0.6
121.02847	7.2
122.03638	0.7
123.04406	0.3
125.09595	0.2
133.02867	0.5
135.04419	100.0
136.04774	2.5
137.02364	0.3
137.05988	1.5
147.04436	2.3
148.05209	10.4
149.05821	0.4
151.03850	0.3
152.01151	0.2
153.01898	0.4
159.04407	2.7
160.05214	0.9
161.02353	0.3
161.04544	0.2
163.07561	14.4
164.07875	0.5
172.21707	0.2
173.02306	0.3
173.04539	1.5
173.05754	0.3
175.03914	0.3
175.07481	1.7
177.05487	0.2
179.03464	0.3
189.09256	0.3
191.05530	7.3
192.05922	0.3
193.08629	3.0
200.08351	0.6
203.92340	0.2
211.03949	0.2
215.10799	1.1
219.02847	0.4
225.11223	1.2
233.11777	4.4
234.11996	0.3
237.37767	0.2
240.04259	1.0
241.05046	0.3
251.12866	23.1
252.13177	1.0
253.04807	0.3
285.11444	0.7
289.05682	0.4
315.12384	4.8
316.12759	0.4
359.15372	0.3
371.15280	0.4
373.16562	18.9
374.17026	1.4
393.08218	0.3
418.57397	0.3
449.15247	0.3
463.10892	2.8
477.17694	6.9
478.17886	0.4
499.16052	0.3
535.21851	87.4
536.22150	7.7
549.25598	0.4
603.26239	0.3
647.25232	0.7
795.32471	0.3
821.30023	2.7
1013.37421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39319	0.3
71.01263	1.4
71.58588	0.4
71.58972	0.4
73.02824	0.6
76.70296	0.3
79.94422	0.3
83.01272	0.4
85.02837	1.3
87.00749	1.1
91.05412	10.1
91.15930	0.3
92.05775	0.4
93.03339	8.0
96.95909	0.4
101.02322	1.0
107.04922	0.4
108.02041	0.6
109.02837	18.1
110.03180	0.6
111.04398	0.9
113.02366	0.5
115.00236	0.6
121.02849	11.4
125.02371	0.4
127.03892	0.4
133.02870	0.7
134.03641	1.3
135.04417	100.0
136.04745	4.5
137.02301	0.7
137.05984	0.5
142.20590	0.3
147.04456	1.7
148.05176	3.0
149.02327	0.4
149.05898	0.7
150.03159	0.8
151.03897	0.6
153.51849	0.3
155.03392	0.6
159.04367	1.1
160.03996	0.4
160.05203	2.8
161.02316	0.5
161.04538	0.4
161.05936	0.3
162.03143	0.8
163.03873	0.4
163.07547	4.1
165.01901	0.4
165.05457	0.5
167.07054	1.1
173.04469	3.9
173.05862	0.5
175.07559	6.0
177.01817	0.7
179.03410	1.0
181.05011	0.4
189.05588	0.4
191.05544	10.7
191.51610	0.3
193.08630	17.4
194.08954	1.0
195.06554	0.6
229.01353	0.8
240.04214	2.0
289.05707	0.8
297.11316	1.0
298.10718	0.4
300.02722	0.4
315.12381	64.8
316.12683	4.2
339.10745	0.9
352.08041	1.0
387.14554	0.6
400.83609	0.4
449.14609	6.1
449.20535	0.7
463.10852	3.9
519.18707	31.3
520.19025	3.1
621.26483	0.4
647.24811	0.9
704.16064	0.5
749.51343	0.3
795.32758	0.7
821.30432	1.3
1013.36725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	2.0
71.58448	0.4
73.02839	0.6
83.01264	0.8
85.02828	0.9
89.02306	0.5
97.33376	0.3
101.02318	1.9
107.01276	1.0
108.02058	0.6
109.02840	0.4
113.02333	0.6
113.87305	0.2
119.03362	0.4
121.02834	0.3
123.08050	0.3
135.00742	0.3
138.05511	0.2
147.68965	0.3
148.01605	0.4
151.00290	3.0
152.01062	0.6
153.01778	0.4
161.09488	0.3
163.00288	0.7
169.01352	0.5
177.12685	0.5
178.25447	0.2
178.99782	2.5
191.05568	0.4
199.03870	0.4
203.03316	0.3
211.03946	0.3
215.03468	0.3
216.04179	0.4
221.11894	0.3
226.02649	1.4
227.03456	1.8
243.02975	6.3
244.03365	0.3
254.02208	1.6
255.02963	16.9
256.03296	0.9
269.00864	0.8
271.02475	37.9
272.02988	2.6
285.04007	0.5
299.01984	1.3
300.02740	65.0
301.03290	5.3
401.18167	16.0
402.18655	0.5
408.10095	0.3
419.04254	0.3
447.09375	0.4
601.06274	1.1
609.14587	100.0
610.14899	9.3
625.13318	0.3
639.23871	0.3
701.72491	0.4
763.11371	0.9
805.12164	1.4
806.13464	0.6
967.17889	1.4
968.18542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01262	0.4
85.78394	0.4
91.05460	0.4
93.03368	1.3
94.11933	0.4
96.95863	0.6
98.20541	0.8
107.01278	1.5
108.02068	0.6
109.02842	0.8
109.82553	0.3
119.04945	0.4
123.04475	0.4
125.02335	0.4
127.17593	0.3
128.53470	0.3
132.02077	0.6
135.00784	1.1
135.04413	4.4
136.04723	0.5
137.02325	0.5
149.02431	0.4
150.03192	0.5
151.00301	2.1
153.01855	0.7
153.05516	0.6
154.04118	0.5
157.06462	0.5
159.04428	0.8
161.02376	2.6
163.00264	2.1
164.01094	0.6
167.04958	0.4
169.01404	0.5
169.06512	0.4
177.01952	0.4
177.05550	0.4
179.03413	0.4
183.04326	0.4
185.02342	0.4
185.06007	1.5
187.03925	1.8
189.05458	0.8
191.05551	1.9
192.05740	0.4
195.04448	0.7
199.03967	0.7
201.05576	0.7
211.03853	2.3
213.05539	1.2
227.03467	20.5
228.03851	1.2
229.05025	6.8
239.03535	1.0
240.04231	0.3
241.05040	1.1
255.02980	45.9
256.03479	4.1
257.04507	4.7
267.02945	0.6
279.06766	0.7
283.02429	0.8
284.03275	63.4
285.04028	66.1
286.04330	4.3
297.07605	0.5
299.01733	0.4
300.02872	0.5
315.08737	0.8
415.19354	0.4
447.09418	0.4
477.13800	1.9
489.10391	100.0
490.10754	9.8
491.11194	0.4
609.62805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	5.6
71.58308	2.6
73.02834	2.1
81.87712	1.5
83.01266	13.9
85.02817	2.7
87.00758	1.6
93.03345	2.2
95.01277	3.2
101.02348	3.6
107.01277	24.0
108.24400	1.4
109.02833	4.2
113.02335	2.0
121.02847	4.8
123.00789	1.8
124.01567	6.9
125.02362	3.4
135.04446	2.8
137.02338	3.2
138.05469	2.5
149.02353	4.0
151.00270	59.4
152.01060	19.6
153.01833	18.9
161.02390	1.6
161.04407	1.9
163.00275	4.1
167.70438	1.4
169.01341	25.0
173.04559	1.4
175.00197	2.3
177.01855	2.3
178.99780	77.5
181.01396	2.1
185.02217	1.6
191.05597	4.7
193.01367	5.8
199.03992	3.8
203.03525	2.1
211.03850	1.9
213.01938	3.9
226.02698	4.5
227.03433	6.5
228.04234	1.9
229.01511	2.2
236.87196	1.4
237.01909	1.9
239.03473	1.8
241.01414	5.5
242.02107	3.3
243.02951	6.6
253.01392	5.1
254.02170	5.6
255.02977	18.1
256.00113	1.6
256.03366	2.5
267.02933	1.7
269.00925	49.3
269.64938	1.6
270.01370	3.1
271.02454	23.0
281.00873	3.5
282.01672	4.4
283.02429	6.0
295.02377	2.6
297.00391	6.6
299.01880	11.0
300.02826	19.6
301.03296	2.7
311.01743	2.6
330.05118	1.5
345.04385	1.7
347.05515	3.1
361.03445	2.7
362.04254	2.1
373.03500	6.0
374.04150	2.0
375.04977	4.3
389.03015	7.6
390.03757	2.1
391.04553	4.2
392.05325	2.9
393.06049	1.9
401.18134	16.9
402.18600	2.2
403.04459	3.6
404.05334	7.4
405.06281	7.9
407.03836	2.4
409.05789	1.9
418.03357	18.9
419.04089	46.7
420.04868	6.1
421.05777	10.2
433.02231	2.6
437.05667	1.8
447.03546	6.5
448.04300	7.9
449.05106	8.3
463.99051	1.7
583.05151	5.4
601.06195	47.6
602.06702	3.1
609.14557	16.0
623.10852	3.4
653.12610	2.0
763.11511	28.5
764.12128	3.5
805.12561	100.0
806.12787	12.5
815.16510	3.8
925.17114	4.6
967.17914	60.5
968.18829	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01242	8.8
93.03316	4.8
107.01263	23.0
108.85318	3.0
109.02837	9.1
121.02840	5.4
124.01537	8.3
125.02352	7.1
131.69843	2.5
137.02348	3.7
148.01505	4.3
149.02278	5.3
151.00272	63.2
152.01103	15.3
153.01823	14.8
161.02325	3.4
163.00252	3.0
169.01361	20.7
178.99780	75.3
180.68246	3.0
191.05534	5.3
192.00539	3.8
193.01378	6.7
213.01912	3.9
214.02663	4.2
225.01787	3.1
226.02586	4.8
227.03435	9.8
242.01877	3.8
243.02956	6.9
253.01199	5.1
254.02141	8.3
255.02953	19.4
256.03595	3.3
269.00885	37.0
270.01523	4.9
271.02441	30.3
282.01694	3.7
283.02615	5.6
297.00400	3.2
299.01971	9.6
300.02789	23.9
317.04401	3.3
363.05042	3.9
373.03635	3.4
375.05090	5.9
389.03055	7.7
391.04523	6.1
405.06274	12.6
407.04031	8.3
417.02844	3.1
418.03250	10.7
419.04095	31.9
420.04825	4.2
421.05389	8.0
433.02176	7.6
447.03439	6.0
448.04282	3.6
449.04739	3.5
583.05481	5.9
601.06165	44.9
602.06500	6.5
625.14227	29.3
626.14978	5.0
763.11536	37.3
764.12073	4.7
805.12610	97.0
806.13129	11.8
855.79321	3.1
925.17389	8.1
926.15295	4.0
967.17914	100.0
968.18018	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	11.3
57.03326	22.9
57.99210	22.5
59.01259	43.1
71.01254	31.7
71.57063	14.9
72.96558	6.7
73.02808	35.5
100.95914	13.5
100.99804	100.0
101.02336	32.5
101.06009	7.3
102.00187	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	14.5
72.19302	1.8
72.99191	3.5
73.02824	3.1
83.01278	10.1
85.02829	7.7
89.02347	5.3
93.03297	2.7
98.20469	2.3
98.44685	1.8
101.02331	7.6
107.01273	17.9
108.02075	2.1
109.02842	2.4
113.02351	3.9
119.03425	2.0
121.02869	4.9
123.08003	2.6
124.01582	5.3
125.02348	2.4
148.28340	1.7
151.00285	39.6
152.01074	10.9
153.01843	7.3
163.00250	3.7
169.01370	11.6
174.24707	1.9
177.12785	5.0
178.99780	47.4
191.05627	3.4
193.01363	2.7
199.03987	1.9
211.04030	2.3
213.01822	2.7
221.11844	4.5
222.38394	2.2
226.02733	3.6
227.03429	10.1
229.04950	2.0
241.01582	3.3
242.02031	2.1
243.02972	6.6
253.01448	4.0
254.02228	3.1
255.03006	40.6
269.00949	30.5
271.02460	36.1
281.00885	2.7
283.02386	4.2
284.03256	22.9
285.03961	6.8
297.00412	3.9
299.02084	9.6
300.02771	54.6
301.03424	2.7
361.03732	2.4
373.03610	3.3
389.03238	2.6
401.18195	100.0
404.05325	2.7
405.06296	5.5
418.03302	6.8
419.04092	26.4
420.04422	3.8
421.05682	5.4
447.03491	3.2
448.04575	4.4
449.05511	4.6
583.05023	3.5
601.06250	35.6
609.14648	93.3
692.22717	2.2
763.11450	45.1
764.11987	5.2
805.12500	29.8
925.17188	5.5
967.17749	39.5
968.18408	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36729	1.8
71.01255	51.5
71.57401	2.1
71.57771	3.0
72.99187	2.6
73.02443	3.7
73.02821	46.9
75.00761	1.9
77.21449	1.8
83.01257	15.7
85.02838	6.0
89.02318	15.3
97.87538	1.8
99.00768	4.3
100.66653	1.9
101.01693	3.4
101.02325	48.1
106.83722	1.6
113.02319	20.1
119.03365	8.0
123.08052	2.4
125.02351	3.9
131.03392	4.5
143.03386	4.7
149.04471	9.4
151.00270	2.1
161.04466	17.0
167.10728	3.8
191.05505	3.3
213.47241	1.8
221.06560	4.5
231.00320	1.8
285.03967	3.8
387.20090	4.2
405.21359	3.1
412.22208	2.2
447.22357	100.0
448.22696	6.4
491.21432	2.8
517.22742	12.7
609.14465	2.2
954.33746	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
72.57259	0.5
75.00724	0.7
76.30186	0.5
76.61391	0.5
85.02813	1.0
91.01797	0.6
93.03327	1.9
101.02345	0.7
107.01237	1.3
108.02035	0.9
109.02863	0.9
117.03364	0.5
123.04407	0.6
132.01978	0.7
135.00780	0.9
137.02309	0.6
151.00308	0.9
153.01770	1.0
159.04401	1.5
163.00237	2.0
169.06444	0.7
179.03409	0.7
185.06085	1.0
187.03885	2.2
191.05551	2.9
195.04434	0.8
197.05954	1.1
199.03896	1.0
201.05475	0.8
211.03889	1.7
213.05357	0.6
227.03448	17.8
228.03781	1.3
229.04997	6.7
239.03387	1.1
241.04913	1.3
255.02971	44.3
256.03445	4.8
257.04572	4.7
271.02301	1.0
280.51892	0.5
283.02530	0.7
284.03262	64.9
285.04022	68.7
286.04312	4.9
287.04694	0.8
300.02704	1.6
301.03452	2.1
356.23264	0.6
385.21304	0.6
414.81525	0.6
426.19058	0.6
473.21048	1.1
489.10385	100.0
490.10645	10.7
491.10995	2.1
505.09775	4.9
681.81458	0.6
887.18774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	26.2
71.04887	1.8
72.99181	2.8
73.02834	4.3
80.02544	5.8
80.93966	0.9
81.03325	6.3
83.01273	3.1
83.04900	16.6
84.02037	5.9
85.02834	5.5
87.00738	5.4
89.02319	21.0
90.02643	1.1
93.03358	1.3
95.01272	1.6
95.04914	1.8
97.02846	3.8
97.06458	4.5
99.00768	1.4
99.08028	3.0
101.02324	21.6
109.06458	2.9
111.08033	2.5
113.02336	11.0
113.09601	2.8
115.03893	1.0
115.07540	1.9
119.03405	6.6
119.08551	1.4
121.02839	1.8
123.04438	4.0
123.08014	1.4
125.02343	8.2
125.09613	4.9
127.11185	3.5
131.03398	1.1
133.04959	1.1
135.08092	1.1
137.09622	61.2
138.09993	1.5
139.11197	4.3
143.03419	3.2
151.11205	5.3
153.09106	5.8
155.10698	27.3
160.32568	1.1
161.04486	5.6
167.10690	1.5
171.10184	67.4
172.10538	1.4
177.12756	1.5
179.05516	5.2
185.04408	1.2
185.11749	2.0
191.05620	1.2
193.12245	11.7
195.13882	2.2
201.11043	1.2
209.11699	2.3
211.13286	3.2
221.06590	1.3
221.11815	1.4
235.08191	10.0
239.12859	1.3
247.20636	7.0
253.09297	1.8
263.20111	3.3
265.21759	3.5
273.18549	1.5
277.21722	60.0
278.21997	6.4
281.21347	1.8
287.07761	2.9
291.19672	57.6
292.20016	2.9
305.08765	3.2
309.20743	19.6
310.21146	2.5
323.09894	1.7
327.21771	8.8
366.70654	1.2
397.13504	100.0
398.13776	9.0
399.13989	1.3
415.14594	33.3
416.14771	3.0
475.09280	1.1
675.35931	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	16.0
71.57942	2.6
72.99187	2.9
73.02820	3.2
80.02510	2.5
81.03349	2.1
81.34929	1.7
83.01208	1.8
83.04906	3.9
84.99877	1.7
85.02840	4.0
87.00726	2.3
89.02311	7.9
93.06992	1.9
95.04874	3.5
96.84326	1.9
97.02803	3.9
97.06463	10.7
101.02318	9.6
106.04095	2.2
107.08503	2.0
113.02337	3.9
119.03378	3.4
121.06460	6.2
121.10099	2.4
123.08076	9.8
125.02317	4.5
125.08733	3.4
125.09611	49.4
127.11131	2.2
135.08080	10.1
137.09650	9.7
139.11208	3.8
141.09117	9.6
142.09323	1.8
151.07562	3.7
151.11185	4.4
153.09084	4.3
155.10637	2.4
161.04507	4.2
165.12704	2.1
167.10667	2.1
171.10158	22.3
172.58685	2.2
181.12236	4.3
184.44417	1.8
185.11751	55.3
186.12091	2.4
187.09630	3.4
195.91628	1.7
197.11679	3.1
199.09721	2.7
201.11267	12.3
209.04482	2.4
209.11737	5.1
209.15396	2.2
211.13319	2.4
213.11186	6.0
215.12733	2.4
235.08195	3.2
235.16972	2.2
245.19025	14.4
261.18515	2.8
263.20068	4.3
277.18884	3.4
277.21692	32.5
278.21863	2.3
279.19452	2.3
286.25793	1.9
287.07767	3.4
289.18051	15.0
291.19647	100.0
292.19736	3.9
305.08768	3.3
305.21283	3.2
307.19089	31.7
307.22760	9.3
309.20728	2.8
310.20981	2.2
324.22412	2.5
325.20078	29.2
325.23843	8.1
397.13437	50.2
398.13602	3.9
415.14432	16.4
467.68234	1.9
572.52826	2.0
619.35077	1.9
1001.57788	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.9
69.82047	0.2
70.06591	3.7
71.04995	0.2
71.06919	0.2
71.28654	0.1
71.57201	0.3
72.08144	0.8
72.44890	0.2
73.02915	0.4
79.05501	0.2
81.03403	2.6
81.46886	0.2
84.04486	0.5
84.08126	0.9
85.02901	4.7
86.09698	2.0
87.00815	1.9
87.05597	0.2
91.03923	0.3
91.05462	1.0
93.04506	0.2
95.04972	0.3
97.02888	1.8
99.04453	0.6
103.05466	0.3
105.01865	0.8
107.04947	0.4
109.02871	2.0
110.07158	0.6
111.00796	0.5
111.04438	1.0
117.01849	0.3
119.04926	1.6
120.08080	1.4
121.02856	14.0
121.03851	0.4
123.04430	0.4
127.03916	2.7
127.08747	0.2
129.01825	0.2
129.10277	0.4
130.06500	0.2
131.05014	0.2
132.08107	0.3
133.02835	0.2
136.07584	1.5
137.02350	0.2
145.04961	0.8
147.04393	6.6
153.01810	8.7
154.02116	0.2
159.02859	1.0
159.09236	0.3
161.05963	0.3
163.03908	0.3
165.01799	0.3
171.02916	0.5
171.04462	0.2
175.03928	0.4
187.03873	0.4
189.05518	1.3
189.06958	0.2
191.03329	0.8
191.74358	0.2
199.03830	0.2
201.05479	0.3
203.03345	1.5
213.01918	0.2
213.74043	0.2
215.03543	0.3
216.04164	0.2
217.04968	0.7
223.02466	0.2
224.40292	0.2
227.03482	0.4
242.01967	0.2
243.02829	0.4
245.04530	0.7
245.15582	0.2
247.07439	0.3
255.02896	0.4
256.13467	0.2
257.04504	0.7
263.07092	0.5
265.05164	0.2
265.08731	0.2
269.04419	0.5
271.02347	1.2
272.03094	0.2
273.03912	1.6
279.06604	0.2
283.02484	0.3
283.06036	0.4
285.03867	1.6
286.04614	0.4
287.05264	2.0
291.06433	0.3
293.04520	0.3
293.07959	0.2
297.03906	3.3
298.04761	0.8
299.02246	0.2
299.05408	0.4
301.03473	0.6
303.06549	0.7
305.08038	0.3
309.04135	0.4
309.07764	0.2
311.02246	0.2
311.05496	0.6
313.03381	1.7
315.04892	1.8
319.06006	0.3
321.07413	0.2
322.04834	0.2
323.05640	0.6
325.03418	1.1
331.06003	1.1
332.06644	0.2
333.07544	0.7
335.05716	0.4
337.03406	0.6
337.07281	0.5
339.05103	0.8
341.06766	0.6
343.04849	0.3
347.01932	0.3
347.05429	1.1
349.03427	0.3
349.07086	1.1
350.07825	0.6
351.04987	0.7
351.08722	0.4
359.05591	0.6
361.06906	0.8
363.04846	0.6
364.05768	0.2
365.06583	0.7
366.07236	0.4
367.04276	0.9
369.02548	0.2
369.07394	0.2
373.07333	0.3
376.05725	1.8
377.06500	2.2
378.07291	0.6
379.03925	0.2
379.08203	0.5
387.04611	0.3
387.09058	0.2
389.06509	0.6
391.04495	0.3
393.06204	0.6
394.06738	1.0
395.07632	0.2
397.06934	0.4
401.06686	0.3
403.08429	0.4
405.06049	5.2
406.06583	0.5
407.07990	1.0
415.03647	0.4
415.08710	0.8
419.03363	0.3
425.06247	0.4
427.08191	0.4
429.06277	0.6
433.05521	0.2
435.07181	2.0
437.05344	0.2
439.08215	0.4
443.07629	1.6
445.09128	0.4
453.04852	1.0
465.04846	0.4
467.07654	0.4
471.07059	3.1
485.08347	0.5
489.08279	0.3
495.07285	0.5
499.06470	0.4
513.08032	2.1
523.06024	0.3
531.09198	5.2
532.09753	0.3
541.07684	0.6
558.07666	0.5
559.08643	1.2
569.07776	0.3
587.08142	100.0
588.08472	4.8
611.07922	0.9
629.08838	0.5
653.09491	0.3
695.09558	0.2
711.71570	0.2
814.64008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.0
70.06591	2.2
70.13692	0.9
71.04987	0.4
72.08151	0.7
73.02923	0.4
81.03419	3.3
83.06116	0.3
84.08133	1.0
84.91571	0.2
85.02902	5.4
86.09688	1.2
87.00816	1.6
91.03967	0.2
91.05473	0.6
97.02879	2.0
99.04453	0.8
103.05441	0.3
105.01865	1.0
107.04958	0.5
109.02872	2.3
111.00854	0.2
111.04443	0.8
111.81275	0.2
115.05403	0.2
117.01855	0.4
119.04929	1.4
120.08092	0.6
121.02863	15.0
123.04426	0.5
127.03915	3.6
129.01813	0.3
129.10275	0.5
133.02820	0.2
135.04391	0.2
136.07585	1.0
137.02385	0.5
145.04976	0.9
147.04398	5.7
147.05521	0.3
153.01822	8.9
159.02884	1.2
165.01907	0.4
171.02866	0.5
173.02272	0.3
175.03932	0.5
185.05972	0.3
187.03902	0.2
189.05444	1.5
191.03432	0.7
199.03944	0.2
203.03391	1.8
213.05573	0.4
217.04984	0.9
218.16353	0.2
227.03389	0.4
229.05067	0.4
231.04919	0.4
241.04880	0.3
243.02914	0.4
245.04434	1.7
253.05113	0.2
255.02869	0.7
257.04523	0.6
258.04837	0.2
259.06128	0.2
263.07169	0.3
269.04562	0.6
271.02426	1.4
273.03909	1.8
277.08551	0.3
283.02609	0.4
283.05780	0.3
285.03940	1.6
286.04663	0.6
287.05380	3.5
291.06644	0.3
293.04495	0.3
293.08182	0.2
295.05994	0.3
297.03915	2.8
298.04712	0.8
299.01996	0.4
299.05423	0.4
301.03415	0.9
303.06403	0.4
305.07983	0.4
311.05615	0.5
313.03354	1.2
315.04785	2.2
317.04578	0.3
319.06061	0.5
321.03928	0.3
321.07370	0.2
323.05585	0.6
325.03485	1.1
331.05881	1.0
333.07535	0.6
335.05643	0.4
337.03299	0.4
337.07111	0.4
339.05048	0.6
341.03015	0.3
341.06848	0.8
343.04837	0.3
345.07678	0.3
347.05521	0.9
349.07034	1.4
350.07550	0.4
351.04993	0.4
359.05597	0.8
361.07190	0.9
363.04996	0.5
365.07013	0.3
367.04538	0.7
369.02325	0.2
373.07632	0.2
375.04987	0.3
376.05701	1.2
377.06473	1.3
378.07477	0.3
379.04160	0.3
379.08585	0.4
385.05936	0.3
387.04904	0.3
389.06418	0.4
391.04395	0.5
393.06396	0.6
394.06805	0.7
395.07849	0.3
397.06854	0.5
401.06537	0.3
403.08438	0.3
405.06152	2.9
406.06937	0.3
407.07739	0.6
415.08228	0.7
429.05988	0.6
435.07239	0.8
437.04779	0.3
441.08804	0.2
443.07639	0.9
445.08316	0.4
447.07074	0.3
453.05243	0.9
457.09302	0.4
465.04510	0.3
467.07178	0.5
471.06955	2.8
485.08798	1.3
489.08441	0.3
495.07233	1.0
499.05945	0.4
513.08344	1.6
523.06866	0.3
531.09210	5.1
541.07983	0.7
558.07867	0.7
559.08734	1.3
569.07196	0.4
587.08179	100.0
588.08551	4.0
588.17157	0.3
611.07947	0.9
628.47424	0.3
629.09192	0.4
653.08636	0.2
677.09271	0.2
695.10797	0.4
1005.76013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5923
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07359	1.8
71.58179	0.7
71.58544	0.5
81.07027	1.0
86.09702	23.1
90.62762	0.5
91.05463	0.7
93.07030	0.5
95.08569	0.7
98.98421	2.4
104.10758	3.2
107.72763	0.5
109.10205	0.5
124.99997	16.5
133.56738	0.6
138.36967	0.5
143.01013	0.5
180.87354	0.5
184.07329	100.0
185.07597	0.6
246.75076	0.5
335.25699	0.9
425.05603	0.5
500.30991	1.4
518.32440	17.3
519.33173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	7.8
69.07063	25.9
69.94215	6.7
69.94624	6.7
71.04983	3.3
73.02879	3.3
79.05487	72.6
81.03394	7.5
81.07052	87.0
83.04982	9.2
83.08598	14.1
85.02889	11.3
85.06547	2.6
91.03955	2.5
91.04903	2.7
91.05474	50.7
93.07037	73.4
95.04962	12.1
95.08596	54.3
97.02890	8.3
97.06522	9.4
97.10145	5.1
99.08073	2.7
105.07034	41.0
107.04964	4.1
107.08578	41.6
109.06510	7.6
109.10149	25.5
111.08087	4.9
115.73083	2.3
117.07008	22.7
119.08582	29.3
121.06509	3.3
121.10155	31.8
123.08051	2.7
123.11688	7.6
125.09631	5.0
127.03932	5.2
128.06172	2.6
129.07005	4.9
131.08559	24.3
133.10106	20.9
135.08084	3.6
135.11671	17.4
143.08548	9.4
145.10124	18.2
147.11682	14.2
149.09604	9.3
149.13264	11.5
155.08632	2.3
157.10141	6.1
159.11707	14.4
161.13287	6.4
163.11159	5.2
163.14856	5.1
169.10123	4.1
171.11678	4.4
173.13268	7.7
175.14758	2.5
177.12854	2.9
183.11612	3.8
185.13216	6.0
195.35796	2.7
196.42870	2.5
199.14844	2.6
199.77025	2.2
219.17433	5.5
229.14264	4.3
239.17960	3.4
255.15770	4.5
257.18976	9.1
259.20724	3.8
261.18375	2.9
261.22177	11.1
269.17487	14.3
275.20020	23.3
293.21182	3.7
300.02942	2.5
309.20593	8.4
335.25793	100.0
336.26111	3.4
349.23679	26.4
367.24945	3.7
418.61420	2.4
489.36139	5.5
515.37109	10.8
529.38885	59.5
530.39154	2.9
543.41113	3.2
569.41974	28.1
609.45056	30.0
627.45941	10.5
707.19220	2.8
771.51770	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	23.2
69.07072	3.6
69.71446	4.0
69.71854	7.2
71.01355	2.3
71.04967	3.1
73.02917	19.1
73.65133	1.6
79.05496	14.6
80.46341	1.6
81.03418	20.2
81.07062	19.6
83.04970	1.9
83.08607	2.1
85.02902	100.0
86.06917	1.5
87.04479	2.1
91.03953	56.1
91.05463	11.5
93.07041	21.2
95.04984	3.4
95.08604	15.2
95.52158	1.5
97.02891	64.6
98.49683	1.6
99.04474	8.6
99.08138	2.0
101.02364	2.9
103.03931	8.5
105.07007	9.7
107.04911	1.5
107.08602	8.9
109.02866	9.6
109.10173	7.7
111.04469	2.9
115.03941	4.9
117.07025	5.7
119.08595	6.8
121.06474	2.0
121.10158	9.1
123.11688	4.5
127.03920	38.6
129.05505	3.8
129.07008	2.5
131.08575	6.0
133.10150	6.0
135.11690	6.6
139.04045	2.1
141.07091	1.6
145.04964	35.8
145.10143	6.3
147.11697	5.3
149.13242	3.8
159.06517	1.9
159.11743	3.9
161.13257	3.9
163.06009	42.7
163.07382	2.7
169.10046	2.1
171.06351	1.8
171.11749	2.7
173.13287	5.1
183.06506	8.6
185.13289	2.8
187.14868	2.3
199.06207	1.6
201.07600	5.1
243.21118	6.4
259.20526	2.4
261.22144	17.0
271.08142	1.8
289.21701	2.6
303.23169	4.4
315.23218	2.1
333.24542	2.1
335.25772	41.2
345.24036	1.9
351.23096	3.1
353.26889	2.6
363.25165	2.1
369.24307	4.5
377.26828	5.1
389.26550	1.7
405.26544	3.4
419.27893	1.8
443.27924	8.2
461.28964	6.9
479.29929	12.1
484.86182	1.8
497.31055	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.6
67.42172	0.3
69.07066	15.8
71.08627	3.9
71.58464	0.7
73.06558	0.5
79.05501	1.8
81.07043	3.7
83.08616	15.1
85.10186	1.9
93.07037	2.7
95.08611	2.8
97.06529	1.6
97.09543	0.6
97.10166	10.4
98.98463	6.1
107.08587	1.3
109.10149	1.0
111.08067	0.7
111.11700	3.0
116.99492	0.5
119.08555	0.4
121.10133	2.3
125.09627	0.9
125.13232	0.6
135.11682	1.7
138.09120	0.5
149.13261	0.8
151.75607	0.4
155.01030	3.7
159.56149	0.3
173.02086	0.7
173.46271	0.4
219.20840	0.5
223.83675	0.3
237.22009	0.9
247.05812	0.9
268.00580	0.4
311.25784	100.0
312.26208	1.8
447.25104	4.6
640.72632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25252	97.2
86.09700	57.1
98.21507	21.3
104.10728	98.4
124.99992	28.4
184.07323	100.0
259.95935	12.9
263.41214	10.8
268.20038	11.2
291.19226	10.2
298.10596	10.1
478.33228	13.9
496.34024	90.5
704.28284	10.2
871.34033	11.3
961.24011	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.374
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	1.5
70.83079	1.6
70.83396	0.6
73.24668	0.6
79.05485	2.8
81.03433	1.0
81.07075	0.9
85.02895	1.1
91.05497	2.2
95.05000	1.3
95.53071	0.6
103.05474	2.8
105.07021	8.6
107.08575	0.6
109.06515	0.7
109.10154	0.8
110.34891	0.5
111.08135	0.6
119.04958	0.9
119.08548	0.9
123.04420	0.9
131.04944	0.9
133.06444	1.5
135.04390	1.0
135.08040	0.9
137.05989	0.9
147.04387	0.6
148.05154	0.7
149.05965	1.6
163.07535	97.9
164.07852	2.2
167.07057	0.6
173.01125	0.6
181.08585	100.0
182.08923	1.2
188.60916	0.7
189.09090	2.2
207.10138	1.4
299.12680	7.0
317.13690	2.5
461.18109	0.8
485.27161	0.7
506.13870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6242
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01436	9.5
71.07355	5.3
75.62798	3.1
86.09708	44.8
104.10741	97.7
110.56770	3.2
111.68767	3.1
125.00021	26.3
184.07346	98.8
478.32761	10.8
496.26990	6.2
496.33972	100.0
497.34470	4.9
892.32794	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.4
68.99768	2.1
69.03075	1.1
69.03425	13.8
69.07070	6.9
70.06564	1.7
71.01330	1.0
71.04991	1.9
71.08635	1.0
71.57593	0.8
71.57970	1.0
73.02913	2.1
78.83351	0.8
79.05493	5.5
81.03418	15.4
81.03903	0.5
81.07056	17.1
82.82141	0.7
83.04968	1.4
83.08622	4.9
85.02905	31.9
85.06528	2.2
86.09692	1.3
87.00833	12.7
91.05476	3.2
93.07041	2.1
95.04958	1.9
95.08048	1.0
95.08607	10.3
95.87278	0.7
97.02890	15.6
97.10169	3.1
99.04427	4.7
99.23840	0.7
103.03892	0.8
103.05483	0.9
105.01861	11.7
105.07024	6.4
107.04951	1.2
107.08575	2.5
109.02886	18.9
109.06503	6.7
109.10149	6.1
111.04423	1.6
111.11718	3.3
117.01842	1.0
117.06987	1.3
119.08559	2.5
121.06504	2.3
121.10118	1.2
123.04403	1.6
123.11689	4.0
125.02334	0.8
125.13231	1.4
127.02974	1.3
127.03915	27.3
128.06192	1.0
129.01833	2.5
129.06958	0.7
131.08598	1.6
133.06476	2.4
133.10135	1.4
135.04372	1.0
135.08057	1.6
135.11746	0.9
137.05974	100.0
137.13255	2.9
138.06317	2.1
140.49797	0.8
145.04955	4.8
145.06094	0.6
145.06415	0.6
147.02904	0.9
147.08034	2.3
149.02390	1.1
149.05988	0.9
149.09610	2.5
149.13274	0.8
151.03877	1.2
151.07564	5.2
151.14789	0.8
153.01833	1.1
157.60968	0.8
159.02885	4.3
159.08055	1.5
160.05243	0.8
161.05975	73.0
162.06329	1.3
163.07527	11.0
163.11217	1.0
163.14697	1.1
169.04982	1.8
171.08003	1.1
174.06799	3.7
175.07558	7.0
175.11176	2.0
177.09105	31.1
177.10649	1.5
179.03322	0.9
179.07068	0.9
187.06049	1.6
187.07593	1.3
189.03973	3.8
189.05376	0.8
189.09117	1.8
191.10649	15.3
193.04980	1.3
193.12344	1.2
193.19505	0.9
199.07567	2.1
201.05441	2.3
201.09096	3.1
203.07025	58.9
204.07402	1.7
205.12213	1.5
205.19640	1.0
207.13736	0.9
211.07567	2.1
213.03905	5.4
213.08974	0.7
215.07147	0.9
217.08672	1.9
217.12257	0.7
219.13739	1.1
227.06955	5.9
229.08569	3.5
231.04924	6.0
233.15265	1.0
241.08498	0.9
245.08125	6.5
249.06100	1.9
259.09518	1.0
261.25650	0.8
263.09103	1.1
265.18069	1.0
269.08084	1.0
269.11655	0.9
273.06030	9.1
275.19949	3.5
275.27393	2.1
287.19943	1.0
293.21140	2.4
293.28391	2.3
315.07031	1.2
317.24713	0.8
331.26306	1.3
339.07126	1.7
349.09161	5.7
355.26080	1.0
399.32568	7.9
417.33624	27.7
418.34189	1.9
423.32431	4.4
441.33743	10.4
443.08267	0.9
461.09247	1.9
465.33313	3.6
483.34644	7.6
507.34723	4.9
525.35590	1.7
593.34265	1.3
611.35632	1.6
629.36328	1.2
652.43945	0.8
933.28784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.6524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.2
69.03425	0.9
69.07056	2.0
69.71444	1.4
69.71854	2.3
70.06592	12.8
72.08148	3.1
74.06072	2.2
79.05493	2.4
79.53727	0.5
81.03407	3.8
81.07056	5.0
83.08629	1.1
84.04494	1.0
84.08134	4.2
85.02890	1.9
86.09706	3.5
91.05487	1.8
93.07058	2.8
95.04955	0.7
95.08601	3.3
96.08141	0.8
98.09689	1.6
98.21499	0.8
100.11250	1.8
105.06998	0.7
107.08588	1.4
109.02891	2.1
109.10164	1.8
110.07159	1.5
110.09711	0.8
119.08566	0.7
120.08103	2.7
121.10144	1.2
136.07591	2.6
146.05978	1.3
148.88042	0.6
159.09207	0.8
210.14856	0.8
212.16319	0.6
222.22314	0.6
248.23700	1.3
250.25287	10.9
252.23225	10.0
268.26477	2.7
270.24304	2.2
276.23221	10.6
294.24298	6.9
303.05139	1.6
312.25293	4.6
330.26413	1.0
446.33698	0.7
453.34296	5.5
456.29401	4.5
474.30563	20.4
475.31039	1.0
482.21243	0.7
492.31662	100.0
493.32031	3.5
501.93280	0.7
773.06061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	7.1
69.07072	2.9
70.64926	1.7
71.08624	10.0
73.64338	0.6
79.05491	3.9
80.97508	0.6
81.03404	5.8
81.07057	7.8
83.08617	5.2
85.02905	0.7
85.10180	5.9
91.05449	3.1
93.07035	4.1
94.74957	0.6
95.04951	2.3
95.08601	8.8
97.10146	2.2
98.98473	4.1
105.07000	2.5
107.04939	0.7
107.08575	2.4
109.10159	4.4
111.11755	0.7
117.06958	0.8
119.08547	1.7
121.10136	2.2
123.11709	1.9
124.01601	0.9
131.08543	1.8
133.10121	0.9
135.11658	1.2
137.13257	0.6
142.02618	1.1
145.10118	0.7
147.11652	1.4
155.01047	5.1
157.10153	0.8
159.11652	0.8
165.12788	0.6
173.13203	0.6
175.11182	0.8
175.48979	0.6
193.12221	1.6
198.05238	1.0
216.06274	2.9
227.12823	0.8
239.23698	1.6
256.80197	0.5
261.22095	1.8
267.15897	8.0
282.27878	9.6
313.27344	100.0
314.27802	2.8
335.25742	6.7
361.63351	0.6
393.24020	8.0
436.28207	23.1
453.33600	0.9
454.29279	20.7
527.37164	6.0
545.38348	5.0
569.38141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54302	1.2
69.03431	1.8
69.07054	1.4
70.06583	4.3
72.86265	1.2
78.82235	1.1
79.05478	1.3
81.03439	2.2
82.49970	1.1
84.08123	1.0
85.02895	2.2
86.09708	1.9
90.00088	1.1
91.05475	2.0
93.07079	1.5
95.08602	1.3
105.07015	2.7
109.10148	1.7
115.41157	1.1
119.08562	1.9
120.08105	1.7
127.03889	2.1
131.04922	1.9
131.08548	1.4
133.10112	2.2
133.76064	1.2
135.08040	1.6
135.11723	1.2
136.07533	1.6
137.05954	2.7
137.09599	1.5
145.10121	1.7
156.22568	1.3
163.03935	1.4
163.07532	1.8
173.06079	1.2
211.16953	2.1
219.02501	1.2
229.47679	1.2
231.13646	2.8
267.14362	1.5
273.13492	3.2
289.05203	2.1
291.14365	12.0
299.64752	1.3
303.04898	1.2
303.14493	2.1
309.15460	5.2
333.15424	2.6
375.16864	1.8
393.17953	11.4
411.18576	4.4
435.19150	21.4
453.19302	1.7
458.11099	1.1
479.18890	100.0
480.19083	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	1.0
69.03423	1.7
70.06590	0.5
71.01369	0.4
71.24733	0.3
71.25051	0.4
73.02913	0.4
76.50361	0.3
81.03430	1.8
85.02907	4.6
86.09711	0.3
91.05465	0.3
91.47935	0.2
93.07083	0.3
97.02890	2.2
107.04956	0.3
109.02882	0.9
111.00789	0.6
116.13802	0.2
117.03337	0.3
121.02871	0.9
123.04425	0.4
127.03932	1.6
131.04932	0.5
135.04391	0.6
137.02342	13.9
137.03394	0.9
145.02890	0.4
145.04968	0.9
147.04417	0.5
149.02423	0.6
153.01825	11.4
161.02377	0.5
163.03891	4.5
165.01869	0.6
171.02892	0.4
175.03918	0.6
177.01895	0.3
179.03452	0.3
189.01802	0.5
189.05479	0.4
199.03918	0.3
200.04723	0.3
203.03325	2.0
205.05043	0.8
207.02846	1.6
211.03896	0.3
215.03543	0.3
216.04176	0.4
217.04944	1.5
227.03493	0.7
229.04916	0.7
231.02963	0.3
243.02887	0.7
245.04469	2.1
253.05045	0.5
255.02965	0.7
257.04471	1.1
263.07141	0.3
265.04907	0.3
267.02872	0.3
269.04504	0.7
271.02435	1.1
273.03790	2.3
279.06641	0.6
281.04462	0.4
285.03967	1.0
287.05499	0.4
295.05960	0.4
297.03928	2.5
298.04703	1.0
299.05515	0.6
301.03134	1.3
302.04221	1.1
303.04858	3.2
307.06015	0.4
311.05621	0.9
313.03275	1.2
315.04959	2.1
319.06100	0.4
321.03900	0.3
321.07483	0.3
323.05426	0.4
325.03589	0.9
331.06076	0.6
335.05576	0.8
337.03494	0.6
339.04910	0.9
341.06418	1.4
343.04974	0.4
347.05444	1.3
349.07108	0.6
351.05057	0.6
353.07037	0.3
363.04926	0.6
365.06741	0.9
375.05145	0.6
377.06644	0.9
379.04544	0.6
381.06024	0.7
392.05359	0.9
393.06027	1.0
405.06082	0.7
407.03854	0.6
409.05646	0.6
410.06705	0.5
411.07547	0.4
421.05484	2.6
423.07126	0.9
437.05536	0.5
445.05588	0.5
449.05096	0.3
451.06696	0.8
453.04764	0.7
459.07248	0.7
483.07370	0.4
487.06812	1.4
501.08167	0.8
511.06476	1.0
515.06464	0.4
528.89502	0.3
529.07782	1.5
547.08588	3.5
557.07092	0.4
574.07312	0.6
575.08203	1.0
603.07660	100.0
604.07941	4.6
627.07318	0.4
935.99286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.6117
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.4
67.05511	1.7
71.58448	0.5
71.95252	1.3
72.96036	0.5
74.97610	0.8
79.05492	1.1
81.03414	0.7
81.07043	1.6
83.04984	0.4
84.96049	0.8
85.02932	0.4
85.88624	0.3
87.04520	0.3
91.05466	1.0
92.98609	0.6
93.07024	1.3
93.77619	0.3
95.04927	0.6
95.08588	0.8
97.96856	0.3
98.09403	0.3
107.08601	0.8
109.10168	0.4
109.38163	0.3
110.97633	0.7
115.97867	0.5
119.08540	0.7
121.10133	0.4
128.98595	2.8
129.06967	0.3
131.08566	0.6
133.98871	0.5
134.99683	0.4
141.02275	0.4
146.99634	6.4
155.03830	0.5
159.11719	0.4
161.01225	0.9
161.04852	0.4
165.00720	1.8
169.05310	0.4
170.01250	0.5
171.03291	0.6
179.02286	1.0
179.05908	0.4
183.06886	0.4
185.04813	0.5
185.26160	0.3
189.04326	1.2
203.05952	0.8
203.12665	0.4
209.11681	0.4
227.09479	0.4
238.09140	0.4
239.09448	0.3
241.11078	0.8
244.09901	0.4
245.10498	0.8
249.07959	0.4
252.10356	0.5
259.12210	1.1
263.09506	1.5
264.10300	0.4
267.15982	0.4
280.10046	0.4
281.10699	0.4
283.12192	0.4
285.11185	0.5
289.11023	0.5
302.16769	0.6
303.12674	1.5
313.14923	0.5
315.16284	34.7
316.16620	1.2
317.61206	0.3
321.13559	0.6
331.15845	2.0
333.17343	100.0
334.17746	3.0
335.25842	0.9
336.26221	0.7
349.16522	0.3
351.18408	23.9
352.18649	0.4
356.18958	11.6
357.19366	0.7
374.20059	6.1
477.42657	0.4
527.36768	0.5
545.38538	0.5
591.37274	4.3
609.38269	1.5
627.38684	1.2
716.77319	0.5
755.67102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	6.5
67.05507	98.5
69.03432	63.7
69.07071	19.8
69.26941	5.3
69.27364	10.8
71.01350	1.7
71.05003	17.6
71.08607	1.7
73.02908	4.5
79.05492	60.8
81.03420	100.0
81.07059	98.5
83.04976	6.8
83.08630	10.8
85.02905	25.5
85.06535	2.2
87.04475	2.7
91.03934	2.9
91.05481	38.2
93.07043	63.2
93.07635	3.0
95.04980	11.2
95.08608	73.9
97.02897	38.8
97.06528	6.6
97.10171	3.5
99.04456	28.8
99.08087	2.5
101.02385	5.1
103.03932	4.4
105.07031	29.7
107.04920	4.0
107.08597	38.1
109.02885	27.8
109.06506	4.6
109.10161	32.2
111.04427	5.7
113.09648	1.5
114.36374	1.7
115.03978	2.5
117.07019	13.2
119.08573	25.6
121.06503	2.9
121.10143	33.8
123.04394	2.0
123.08069	3.5
123.11705	16.0
125.02337	1.7
127.03917	66.8
129.05501	3.5
129.06999	4.5
131.08578	26.2
133.10121	18.3
135.08058	2.0
135.11688	26.9
137.06000	2.0
137.09631	1.9
137.13260	3.4
139.03883	1.9
139.11153	2.0
143.08583	3.5
145.04935	4.4
145.10115	17.9
147.07996	2.0
147.11667	17.4
149.09619	3.0
149.13248	16.8
150.06476	1.6
151.03792	1.5
155.08607	2.3
157.10146	5.2
159.11699	15.4
161.13286	9.7
163.14825	9.9
165.12717	3.4
168.38055	1.5
169.10175	2.8
171.11736	4.4
173.04472	42.7
173.13275	14.1
175.14807	4.3
177.05359	1.4
177.09055	1.7
177.16389	3.2
179.14255	1.5
183.06575	1.9
183.11630	2.3
185.13222	3.6
187.14813	8.6
197.13290	2.2
201.16602	1.8
201.64932	1.7
209.13280	2.9
211.24771	1.8
215.17992	1.9
233.22565	2.0
241.19569	2.0
243.21123	13.6
252.39865	1.7
253.07019	2.9
259.20508	3.2
261.22165	47.3
262.22357	2.4
271.08063	2.1
275.20331	1.8
277.21747	2.1
279.23114	3.9
289.21582	2.3
303.23193	3.0
335.25784	41.2
341.24878	2.4
351.22787	2.2
353.26721	2.0
363.25363	18.7
369.24158	5.8
387.25333	3.1
392.32892	1.6
405.26401	3.5
456.72055	1.7
525.30530	1.9
708.11902	1.7
856.35785	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.0
71.58138	0.8
71.58560	0.6
81.07046	0.7
83.16968	0.5
84.96033	9.4
93.07042	0.7
98.97555	4.9
102.97083	1.8
116.98608	6.1
120.98164	0.6
124.99173	0.6
128.98604	1.5
131.00154	1.0
134.99669	4.0
140.98610	0.8
143.00139	3.6
144.98067	1.3
146.99666	4.0
149.01222	2.4
155.00189	1.1
157.01732	1.1
158.99675	2.5
161.01212	14.0
162.99110	5.6
165.00755	0.8
167.02264	1.5
173.01204	2.6
175.02794	0.9
177.00711	1.7
179.02258	3.0
181.00206	0.8
182.99649	2.2
184.02856	0.7
187.94899	0.6
190.95311	1.5
191.02263	1.0
198.95821	4.0
201.00670	8.0
203.02335	1.0
216.96927	1.5
217.03828	0.8
219.01752	2.0
221.97522	0.8
224.02264	1.1
224.97432	1.0
227.07172	0.5
228.96880	1.3
240.96906	3.5
242.98515	1.2
246.95876	2.1
246.98164	1.2
248.44597	0.6
258.97946	1.6
264.96820	7.5
282.97897	13.9
287.98422	0.7
296.99689	1.0
297.66495	0.6
300.98996	11.6
301.20135	0.6
305.99716	1.8
317.17841	17.1
324.00681	1.4
335.18906	9.3
357.01584	2.0
358.20605	1.6
375.02582	2.1
391.21674	0.9
398.03799	0.6
599.22314	0.8
601.25208	1.4
617.22968	100.0
618.22913	3.1
823.99689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.2
67.01828	0.5
68.08540	0.1
68.99786	1.3
69.03091	0.2
69.03428	2.7
70.06562	0.5
71.04975	0.2
71.57582	0.3
72.08128	0.2
73.02901	0.3
79.05472	0.2
81.03412	1.4
83.01340	0.2
84.08125	0.3
85.02901	6.6
86.09691	0.3
87.04427	0.2
91.03912	0.2
91.05468	0.8
95.04937	0.5
97.02901	2.5
99.04431	0.4
101.57288	0.2
103.05418	0.2
105.03342	0.2
106.08028	0.2
107.04910	0.7
109.02186	0.1
109.02852	0.9
110.07104	0.2
111.00758	0.7
111.04450	1.4
115.05420	0.2
119.04944	1.7
119.32696	0.2
120.08022	0.2
121.02863	20.7
121.03843	0.7
123.04380	0.6
127.03907	1.2
129.10176	0.3
131.04887	0.5
133.02806	0.2
135.04398	0.2
137.02318	0.9
139.01804	0.2
139.03943	0.2
145.04916	0.7
145.06462	0.2
147.04405	7.9
149.02368	0.2
149.05980	0.9
153.01820	18.3
154.02109	0.3
159.04321	0.2
161.05933	0.4
163.03857	0.7
165.01768	0.7
171.02831	1.1
171.04283	0.3
173.05956	0.2
175.03850	0.7
179.03331	0.2
187.03777	0.3
189.05479	2.1
191.03377	1.2
193.01314	0.3
197.05989	0.3
199.03880	0.4
203.03394	2.0
211.03941	0.2
213.05424	0.4
215.03355	0.6
216.04102	0.3
217.04961	1.3
222.32913	0.2
223.07545	0.2
225.05591	0.2
227.03305	0.7
229.04904	0.7
231.02811	0.2
231.06416	0.2
235.07440	0.2
239.03386	0.3
241.04872	0.5
243.02835	0.7
244.03622	0.2
245.04477	1.8
247.07483	0.2
253.04861	0.5
255.02834	0.7
255.06383	0.4
256.03500	0.2
257.04324	1.2
258.05151	0.5
259.05844	0.3
263.06985	0.7
267.02768	0.4
268.07355	0.9
269.04391	1.0
271.02509	1.0
273.03928	2.1
273.08881	0.2
274.04520	0.2
275.06879	0.3
277.08731	0.2
279.06256	0.2
281.04459	0.4
283.02319	0.4
283.05878	0.5
285.03943	1.5
286.04712	1.1
287.05417	4.7
291.06439	0.6
293.04285	0.5
293.07797	0.3
295.02533	0.3
295.05853	0.5
297.03912	3.1
297.09116	0.2
298.04684	0.8
299.02136	0.2
299.05325	0.8
301.03357	1.4
301.08527	0.4
302.03970	0.2
303.06717	0.8
303.09384	0.2
305.04489	0.4
305.07950	0.6
307.05872	0.6
309.03928	0.4
311.05255	1.0
313.03424	2.0
313.08405	0.3
315.04837	2.8
317.08209	0.3
319.06064	0.9
320.06958	0.2
321.03787	0.6
321.07278	0.3
322.04401	0.2
323.05310	0.4
325.03387	1.4
325.08432	0.5
327.05310	0.2
329.07910	0.4
331.06094	0.9
332.06732	0.3
333.07623	1.0
335.05466	0.4
337.03333	0.4
337.07056	0.6
339.05045	0.8
341.02731	0.3
341.07004	0.8
343.04510	0.4
343.09430	0.2
345.07422	0.4
347.05316	1.4
347.09158	0.4
349.07053	1.5
350.07547	0.3
351.04758	0.4
351.08685	0.2
353.07193	0.3
355.05777	0.2
357.07123	0.4
358.08093	0.4
359.05313	0.7
359.09195	0.2
360.06195	0.2
361.07013	1.1
363.04785	0.7
364.05609	0.3
365.02353	0.2
365.06479	0.9
367.04257	0.7
369.07294	0.6
371.09006	0.5
373.06879	0.5
375.04739	0.5
375.08823	0.2
376.05527	1.5
376.09567	0.2
377.02460	0.2
377.06583	1.8
378.07614	0.2
379.04117	0.4
379.08374	0.3
381.06998	0.3
385.05447	0.2
387.04297	0.4
387.09015	0.9
389.06223	0.5
389.10443	0.4
391.04196	0.5
393.01453	0.3
393.05914	1.5
394.06479	0.6
395.07822	0.3
397.06827	0.7
399.08609	0.4
401.06641	0.2
403.08197	0.4
405.05984	3.6
406.06662	0.2
407.07993	1.0
409.05896	0.3
411.07785	0.3
415.08243	1.3
417.09735	0.3
419.03723	0.5
420.04221	0.2
421.05499	0.7
425.05939	0.4
427.07886	0.3
429.05981	0.7
433.05289	0.3
435.07355	0.9
437.04663	0.2
439.07843	0.7
443.07562	1.4
445.08942	0.4
447.07275	0.2
449.05106	0.2
453.04749	1.0
457.09479	0.3
465.04224	0.2
467.06985	0.5
471.07080	2.8
477.09344	0.3
485.08698	1.1
495.06870	1.3
499.06503	0.5
505.09201	0.3
513.08252	1.6
523.10181	0.2
531.09180	5.0
532.09271	0.2
541.07306	0.5
551.09674	0.4
558.07458	0.6
559.08643	1.3
569.11035	2.8
587.07941	100.0
588.08368	3.9
611.10016	0.3
629.08563	0.2
653.10583	0.2
706.99536	0.2
757.08990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37650	0.4
65.62731	0.5
67.05497	3.2
69.03427	3.7
69.07059	0.5
71.01362	0.6
73.02917	3.7
79.05495	2.4
81.03401	2.4
81.07047	2.9
82.72388	0.4
83.04983	0.4
83.08656	0.5
84.68752	0.4
85.02896	5.2
90.43378	0.4
91.03947	3.7
91.04386	0.4
91.05489	1.8
93.07050	2.3
95.04962	0.6
95.08616	1.8
97.02881	5.1
99.04483	0.8
105.07001	1.0
105.20142	0.5
107.08599	1.1
109.02900	1.1
109.10175	0.7
109.36304	0.4
111.42524	0.3
115.03996	0.5
117.52209	0.4
119.08597	0.9
121.10191	1.0
127.03967	1.8
129.07077	0.6
133.10152	0.5
135.11761	0.5
137.98763	0.4
145.05019	0.5
185.04280	0.6
191.35678	0.4
200.41455	0.4
203.05338	0.8
211.13428	0.4
243.08453	1.6
335.25769	0.7
347.09576	1.5
365.10779	0.9
405.13626	4.3
469.20459	3.3
477.64459	0.4
519.29248	3.7
631.25818	2.1
681.34503	7.2
727.36102	0.5
747.42828	1.1
909.48102	100.0
910.48248	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.8
67.05500	50.4
69.07063	19.4
71.04984	5.1
71.58228	2.5
71.58636	2.9
73.02903	4.6
76.15242	2.4
79.05495	36.9
81.03384	2.9
81.07050	97.5
83.04978	4.6
83.08607	10.1
85.02889	16.1
85.06548	4.4
91.03951	9.8
91.05480	35.5
93.07042	37.1
95.04963	5.2
95.08597	41.3
97.02893	4.9
97.06528	8.4
99.08076	3.8
104.86700	2.1
105.07023	44.1
107.08585	21.0
109.06547	5.4
109.10143	15.5
111.08096	2.7
112.41336	2.2
113.05986	2.6
114.39989	2.0
117.06964	2.2
119.08569	30.9
121.10155	31.9
123.08065	4.3
123.11698	28.8
127.03900	2.6
127.07538	3.7
131.08580	8.3
133.10106	10.0
135.11667	6.2
137.13286	3.0
145.10100	5.8
147.11682	65.6
149.13283	6.2
157.10045	2.4
159.11682	4.3
161.13254	2.8
163.06110	3.2
163.14801	2.4
165.12732	25.3
173.10036	2.5
173.13300	4.5
183.13873	3.7
211.13405	2.5
229.14360	8.3
243.21085	5.6
261.22150	30.5
267.15906	77.5
279.23245	3.1
282.72961	2.2
285.16943	100.0
317.24911	3.3
335.25784	89.7
412.18088	2.7
471.34344	3.3
527.37225	6.4
545.38361	79.6
551.29437	2.3
563.39105	4.9
639.25262	2.7
866.07837	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.6
67.05504	44.8
69.07071	15.3
69.32351	14.8
71.04966	3.9
71.67060	1.3
73.02914	2.3
79.05489	29.9
81.03395	1.9
81.07053	77.7
83.04962	5.1
83.08613	10.1
85.02898	7.4
85.06532	3.9
87.97748	1.2
91.03951	6.2
91.05479	22.1
93.07037	30.9
95.04964	5.4
95.08604	36.7
97.02891	5.1
97.06519	6.0
97.10137	1.6
99.08082	2.0
105.07031	26.2
107.08601	18.8
108.33447	1.2
109.06513	3.4
109.10133	12.5
117.07011	2.2
119.08585	21.6
121.10136	22.1
121.10936	2.4
121.58987	1.2
123.08076	4.1
123.11704	18.1
127.03886	1.6
127.07500	1.9
131.08598	7.1
133.10141	5.9
135.11679	6.6
137.13278	1.9
145.10135	5.9
145.51683	1.4
147.11679	47.1
149.09612	1.5
149.13251	4.7
157.10143	2.0
159.11676	4.2
161.13272	3.2
163.05946	1.6
163.14861	2.3
165.12744	20.3
173.13239	3.2
183.13843	1.7
185.13948	1.2
187.14772	2.6
193.12340	1.8
229.14357	4.2
243.21155	5.4
245.44077	1.3
261.22141	18.5
267.15915	50.5
279.23193	2.1
285.16940	57.1
311.25873	2.2
317.24692	3.2
335.25793	100.0
336.26266	2.9
353.26935	2.3
471.34628	1.5
527.37109	3.9
545.38379	60.6
546.38153	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.8
67.05500	35.0
67.05834	1.1
69.03425	3.8
69.07059	9.0
71.04977	2.8
71.19772	0.7
73.02875	2.1
73.04845	0.4
79.05486	28.2
81.03411	33.5
81.07050	36.5
82.06675	0.4
83.04974	7.1
83.08611	13.9
85.02897	19.0
85.06513	1.1
87.04375	0.4
91.03949	5.5
91.05474	24.6
93.07036	28.6
95.04957	15.4
95.08598	24.0
97.02312	0.4
97.02881	5.9
97.06516	3.2
97.10154	3.2
99.04443	0.9
99.08052	1.0
103.52852	0.4
105.07024	17.4
107.04942	3.9
107.08587	16.5
109.02917	0.5
109.06514	2.8
109.10150	9.0
111.04391	1.4
111.08073	6.3
113.05951	1.4
115.05371	1.2
116.06212	0.5
117.07010	3.3
119.04881	0.6
119.08573	15.0
121.06484	1.0
121.10135	14.9
123.08009	2.0
123.11707	4.5
125.05927	0.7
125.09590	1.0
127.03875	1.7
128.06113	0.6
129.06995	7.4
131.08560	10.6
133.06444	1.8
133.10118	10.0
135.11676	6.5
137.09558	1.2
137.13220	0.5
142.07722	1.4
143.08507	0.9
145.04926	2.3
145.10123	4.5
147.08025	1.8
147.11667	11.2
149.09595	3.4
149.13269	3.9
151.11269	0.7
157.08934	0.7
157.10115	8.0
159.11673	2.9
161.13245	2.3
163.05971	1.5
163.11188	0.5
163.14769	1.0
165.12727	1.7
168.30774	0.5
173.13220	2.3
175.11171	8.6
175.14735	1.4
177.16331	0.5
187.14769	1.4
189.11148	0.6
189.16371	0.5
193.10434	0.7
193.12230	24.6
211.13275	36.2
212.13507	0.6
227.12755	0.8
229.14326	0.5
243.21049	2.9
249.14851	1.0
261.22144	9.9
267.15887	10.2
268.34549	0.5
277.21677	0.6
279.23047	0.7
285.16937	42.7
286.17197	0.8
301.25217	0.9
317.24753	1.9
335.25766	70.5
336.26205	1.3
368.53958	0.5
417.31430	0.6
435.32419	1.9
453.33786	1.8
471.34482	1.0
527.37329	13.9
528.37585	0.5
545.38324	100.0
546.38782	2.8
609.11865	0.5
689.42694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.9
67.05505	50.0
69.03424	6.8
69.07071	14.7
69.41998	16.3
71.04972	5.8
72.89323	1.8
73.02904	4.9
79.05494	48.7
81.03419	61.8
81.07061	56.0
83.04979	17.4
83.08617	23.1
85.02910	35.0
85.06540	3.0
91.03963	7.9
91.05482	40.7
93.07041	38.7
94.98953	2.1
95.04963	25.3
95.08607	33.2
97.02891	11.0
97.06514	4.9
97.10154	6.2
99.08094	3.0
105.07024	32.4
107.04934	5.2
107.08594	26.5
108.21799	1.5
109.06499	5.2
109.10168	12.3
111.04419	2.6
111.08071	9.7
113.05973	3.0
117.07021	6.0
119.08573	23.2
121.10144	16.5
123.08060	3.8
123.11675	4.7
125.09606	2.5
127.03920	2.6
127.07572	2.4
129.07002	10.5
131.08577	16.4
133.06503	2.4
133.10127	15.3
135.11702	7.5
137.09633	2.8
137.13298	1.7
142.07762	2.8
145.04866	1.8
145.10162	7.6
147.07993	3.5
147.11694	18.2
149.09619	5.3
149.13255	3.2
157.10117	12.8
159.11716	3.6
161.13202	2.4
163.05936	2.4
163.11218	1.8
163.14822	3.1
165.12694	1.9
173.13239	5.0
175.11198	12.6
193.12247	38.4
211.13303	63.8
211.15294	3.5
226.44106	1.7
243.21191	3.3
261.22198	8.0
267.15912	11.8
285.16971	70.9
301.25095	1.7
335.25797	65.5
417.31366	3.0
435.32043	2.3
453.33539	2.9
527.37488	15.4
545.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99748	0.4
69.03426	3.2
69.60242	1.7
71.04955	0.3
73.02887	0.5
81.03418	4.1
85.02900	4.5
87.00832	2.0
93.03316	0.3
97.02901	1.6
99.04382	1.1
105.01781	0.9
109.02875	2.3
110.33043	0.3
117.01813	0.7
121.02785	0.7
123.04346	0.5
127.03918	3.2
137.02345	10.1
137.03392	0.9
145.04880	1.1
147.04329	1.0
159.02814	1.1
161.02322	0.6
161.05901	1.0
163.03825	0.9
171.04375	0.4
175.03818	0.5
177.05324	0.4
187.03804	0.7
199.03802	0.4
203.03381	9.4
207.02882	2.6
215.03337	2.2
219.02911	0.5
225.01764	1.2
227.03299	1.2
229.04874	0.4
235.07401	0.4
239.03329	0.5
241.01210	0.3
243.02892	5.4
251.06870	0.4
253.04822	0.3
263.06961	0.8
271.02286	1.1
273.05420	0.6
279.06711	0.4
287.05420	2.5
289.03412	3.6
291.06595	2.4
301.04712	0.3
309.07559	0.8
313.03143	0.4
315.06537	0.5
319.05948	3.4
337.07129	0.6
347.05469	2.4
363.08591	0.9
365.06543	2.4
375.04959	1.3
376.05554	0.8
389.06561	2.9
392.05356	0.7
393.06021	35.2
394.06622	1.2
403.04416	0.9
417.05789	0.8
419.02145	0.5
419.07639	8.7
421.05527	100.0
422.05750	3.0
437.08801	0.3
445.05612	5.8
463.06583	64.9
464.07013	1.8
481.07629	3.1
637.11920	0.3
655.13025	2.1
816.38086	0.3
905.43176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.2
65.29947	0.5
67.05502	27.9
69.03388	0.8
69.07069	7.3
69.79631	3.4
71.04951	1.9
73.02875	1.1
77.03888	0.7
79.05489	24.7
81.03368	1.7
81.07054	31.2
83.04930	2.4
83.08233	0.5
83.08611	5.7
85.02861	2.5
85.06523	0.7
85.39255	0.5
91.03918	1.4
91.05476	11.3
93.07037	35.2
95.04980	5.2
95.08602	38.1
97.02884	3.1
97.06519	3.0
97.10160	1.3
99.04479	3.1
103.05464	0.7
105.07026	8.1
107.04954	5.0
107.08592	23.6
109.06486	1.5
109.10158	7.6
111.04434	0.8
111.08060	1.3
112.77699	0.5
113.06001	0.6
117.06999	6.8
119.08576	7.8
120.74891	0.6
121.05628	0.6
121.06464	2.6
121.10136	15.1
123.08011	0.9
123.11662	1.7
125.05952	1.8
130.07758	1.3
131.08540	3.6
131.35680	0.6
133.10127	4.2
135.08011	1.4
135.11682	32.1
137.13246	0.8
139.07527	1.5
143.08551	0.9
145.10115	18.9
147.11636	1.1
149.13269	3.1
150.81400	0.6
153.12811	0.6
155.08527	0.8
156.08899	0.6
159.11678	1.9
161.13135	1.4
163.11174	39.2
163.14825	1.0
173.13202	1.6
175.14833	0.9
181.12204	5.4
187.14861	0.7
209.11673	0.9
214.08998	0.5
227.12773	50.1
243.21130	1.5
246.27373	0.5
261.22110	7.9
283.15387	55.7
284.15738	0.9
317.24683	2.1
335.25787	100.0
336.26215	3.4
496.83578	0.6
543.36792	97.6
544.37122	4.9
566.74689	0.6
789.04065	0.6
890.40881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.2
67.05501	36.3
69.03426	3.1
69.07067	8.6
69.94529	5.6
70.73751	0.9
71.04986	3.2
71.08619	1.4
73.02909	5.4
79.05487	33.0
81.03411	9.9
81.07053	39.1
83.01331	6.0
83.04978	9.6
83.08614	12.3
85.02422	1.6
85.02901	18.1
85.06537	1.5
91.03958	8.4
91.05474	20.9
93.07037	35.7
95.04967	9.4
95.08602	27.8
97.02879	10.7
97.06522	4.4
97.10141	3.6
99.04433	2.5
105.07018	16.9
107.04919	4.5
107.08585	21.0
109.06510	5.8
109.10149	10.5
111.04427	1.9
111.08067	2.9
111.11723	1.0
115.05483	1.1
117.07024	9.4
117.93726	0.9
119.08574	12.6
121.06497	3.6
121.10139	17.2
121.10913	0.7
123.08055	6.4
123.11678	3.7
125.09618	2.7
127.03906	3.3
129.06984	2.0
131.08549	11.0
133.10121	7.1
135.08040	1.4
135.11681	16.6
137.09532	1.4
137.13289	1.1
139.07576	0.9
143.08496	1.3
145.04953	5.4
145.10123	17.7
147.08066	1.3
147.11644	5.2
149.09592	1.2
149.13251	5.8
153.12720	2.1
155.08507	1.4
156.51402	0.9
159.11641	4.0
161.13226	3.7
163.06044	5.5
163.11169	19.0
163.14822	2.8
169.10077	1.1
173.09602	3.1
173.13197	4.0
175.14832	2.0
181.12215	4.6
183.11667	1.1
183.23334	0.9
187.14809	2.5
189.11185	2.4
191.10658	2.3
193.12213	2.3
201.16307	1.6
209.11710	7.0
211.13315	1.5
227.12767	11.8
233.22586	0.9
243.21068	4.4
259.20612	2.1
261.22098	16.1
267.15942	2.5
273.22198	0.9
277.21381	0.9
283.15381	100.0
284.15768	1.2
285.17062	1.1
297.21756	0.9
299.23672	4.9
317.24869	4.2
322.01019	0.9
333.24118	1.9
335.25775	64.8
336.25931	1.2
451.31949	3.2
469.32892	2.8
525.35822	6.8
543.36804	55.1
544.37042	2.5
561.37781	5.1
771.29578	1.1
896.35327	1.0
910.57800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.3
65.44557	1.0
67.05502	48.1
69.03424	5.1
69.07064	13.4
71.01351	1.5
71.03613	2.5
71.04969	4.2
73.02908	3.7
73.06562	1.1
79.05488	43.0
81.03416	12.0
81.07053	59.2
83.01338	8.3
83.04990	10.0
83.08608	14.9
85.02896	20.8
85.06543	2.0
91.03951	13.6
91.05470	31.1
93.07038	53.5
95.04967	13.1
95.08598	41.4
97.02899	9.9
97.06522	4.3
97.10162	4.4
99.04454	3.6
99.08098	1.6
103.05527	1.0
105.07025	19.7
107.04939	6.4
107.08589	29.0
109.02869	1.6
109.06502	7.1
109.10144	18.9
111.04426	2.8
111.08060	3.9
115.05428	1.3
117.07001	11.4
119.08568	18.4
121.06496	3.6
121.10131	23.6
123.08067	7.5
123.11716	6.7
125.06009	2.3
125.09645	4.4
127.03889	2.9
128.06219	1.0
129.06979	3.4
130.07790	1.6
131.08583	11.6
133.10129	11.3
135.08061	2.5
135.11687	18.8
137.09671	1.9
137.13246	2.5
143.08563	1.9
145.04935	4.4
145.06418	1.7
145.10121	22.0
147.08040	2.0
147.11671	7.0
149.13268	7.6
153.12714	4.2
155.08562	1.2
157.10182	1.5
159.11659	6.8
161.13246	4.9
163.05992	6.4
163.11169	19.8
163.14769	2.6
169.10063	1.3
171.11691	1.4
173.09602	3.5
173.13272	5.7
175.14835	2.4
181.10289	1.0
181.12254	3.1
185.13234	2.1
187.14824	2.8
189.11208	3.7
191.10674	3.3
201.16296	1.3
209.11682	7.0
227.12798	11.2
227.19983	1.7
241.19359	1.1
243.21034	6.1
259.20581	2.2
261.22137	20.6
262.22391	1.1
267.15817	1.4
279.23047	1.2
283.15381	99.0
284.15695	2.7
299.23645	6.7
317.24597	5.8
333.24197	2.8
335.25784	100.0
336.26053	3.2
433.31012	3.0
451.31955	4.3
469.33185	4.2
487.34598	1.1
518.86023	1.1
525.35809	7.7
543.36786	91.1
544.36993	4.2
561.37891	4.7
911.93243	1.2
922.40643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	6.8
67.05175	6.7
67.05504	88.9
67.90144	3.1
69.03392	6.4
69.07066	96.0
70.06557	4.3
73.15816	3.4
79.05061	6.2
79.05492	77.3
81.03413	4.9
81.07056	79.4
83.04967	8.7
83.08624	22.5
91.05479	69.0
93.07048	58.8
95.04969	16.3
95.08602	57.4
97.06513	8.6
97.10159	25.5
105.04499	4.3
105.06382	6.2
105.07030	65.0
107.04939	9.5
107.08590	74.9
109.06506	10.2
109.10155	32.5
117.07006	14.3
119.08582	39.0
121.06467	4.6
121.10145	25.6
123.04427	10.2
123.08101	4.0
123.11730	8.7
125.09624	18.5
127.03921	4.0
129.06987	9.6
131.08583	25.5
133.06474	4.8
133.10124	32.1
135.04398	7.0
135.08040	6.6
135.11696	12.5
137.02310	16.7
137.05978	8.4
141.07007	7.2
143.08563	8.4
145.06493	7.2
145.10130	25.1
147.04419	10.2
147.11673	15.0
149.05969	8.1
149.09604	15.3
149.13275	4.2
153.07001	7.6
155.08546	8.2
157.10165	10.5
159.11697	14.3
161.05981	10.6
161.13281	11.8
163.11208	6.0
165.06989	5.4
171.08034	5.2
171.11578	5.7
173.05966	7.1
173.09637	6.0
173.13222	6.5
175.03812	5.0
177.12718	4.1
183.11665	5.1
185.05977	4.6
187.07585	6.0
189.05450	4.5
189.09178	7.2
189.11200	17.3
191.10667	26.9
195.08105	4.0
197.05983	5.8
197.13371	4.5
199.07628	8.5
209.06084	6.3
210.06674	6.6
211.07530	15.7
211.14902	4.7
213.05519	5.1
219.13832	5.0
223.07526	7.1
225.05443	4.0
225.09007	4.1
229.46362	4.2
233.09583	6.0
235.07576	7.8
237.09119	6.0
239.07024	16.5
239.10651	6.5
241.12247	4.4
247.07520	10.2
248.08231	4.2
249.09074	11.6
251.07091	7.7
251.10818	5.4
251.19972	6.1
255.06531	14.0
257.19141	8.6
259.07684	4.3
261.09128	8.8
263.07080	10.6
263.10559	3.5
264.07813	5.9
265.08401	4.2
267.06491	31.2
269.08023	9.6
273.09161	5.6
275.20053	100.0
277.08768	9.0
277.11954	6.4
277.21832	4.8
278.05783	6.8
279.06561	31.4
281.08078	4.5
285.09106	6.3
287.07050	7.0
287.10770	4.0
289.08600	9.1
289.11957	4.9
290.05655	4.4
291.06390	20.7
292.07208	10.5
293.08182	18.2
293.20898	4.7
301.08566	7.0
303.06805	17.1
303.09811	6.0
304.07233	8.2
305.08105	24.6
306.08832	6.6
313.08624	4.7
315.06537	7.3
315.10089	8.6
316.07388	7.9
317.08206	23.3
317.11557	7.2
318.08896	11.5
319.09726	7.5
321.11160	7.1
323.12918	29.9
325.08347	4.2
327.10162	8.6
328.07480	5.3
329.07977	14.4
329.11493	6.2
330.08963	5.8
331.09650	13.3
333.11011	5.6
335.12769	16.4
341.08051	11.4
343.09555	11.8
345.11047	10.0
347.12845	33.7
352.10291	4.9
355.09671	11.6
356.10788	4.7
357.11099	7.0
357.14905	4.9
358.11829	4.4
359.12720	7.5
361.14474	6.3
367.09476	5.7
368.10535	4.3
371.12787	11.6
373.14337	13.5
383.12747	4.6
385.14374	10.5
387.15912	8.7
397.14240	11.3
399.15753	7.8
401.17160	4.7
403.19406	6.8
409.16248	7.8
411.15906	8.1
413.17294	7.1
415.19409	5.7
421.16309	6.1
423.16159	4.9
427.18808	6.6
429.20847	10.5
431.22235	9.8
437.17694	4.4
439.18906	5.5
441.20901	6.4
449.19513	7.6
455.22321	5.9
465.20465	4.8
467.22430	6.4
489.22867	6.6
503.24411	5.3
513.22797	5.8
515.24200	14.1
516.24945	5.5
517.25751	7.3
523.24658	5.1
527.24146	8.0
529.26221	17.9
541.25610	5.9
551.31494	5.2
553.25861	10.1
555.27576	5.2
566.88403	4.3
567.27899	8.0
569.29437	8.9
585.32312	19.5
595.30634	5.2
596.32098	4.7
597.31805	11.1
623.33435	10.0
625.35022	9.6
627.31805	4.2
633.30914	4.9
635.33038	6.3
637.34308	4.6
647.32990	4.7
649.35065	8.4
661.34705	4.8
667.36591	4.5
697.37689	5.0
705.41791	21.6
710.37500	7.0
723.40576	11.7
761.43597	5.0
777.42914	9.7
779.44531	16.5
790.43188	9.0
795.44385	4.3
797.44312	5.5
808.45398	8.0
859.50964	21.5
877.52893	22.8
895.50250	13.2
929.63934	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58131	0.3
65.03897	0.5
67.01838	0.4
68.99757	0.3
69.03430	2.9
69.07037	0.6
70.87110	0.5
70.87464	0.4
71.04967	0.4
73.02872	0.4
76.90961	0.2
79.05437	0.3
81.03408	3.8
81.06995	0.3
84.08109	0.3
85.02902	4.6
87.00819	2.4
91.05431	0.6
95.04927	0.5
95.08552	0.8
97.02888	2.0
99.04444	0.5
105.01809	0.9
105.06978	1.1
107.04907	0.6
107.08448	0.4
109.02871	3.2
111.04374	1.1
117.01781	0.5
119.04915	0.4
119.08589	3.6
121.02861	14.4
122.24260	0.3
127.03896	3.2
129.01759	0.3
133.10123	2.9
145.04907	1.0
145.06451	1.6
145.10158	0.3
147.04414	2.2
147.11618	0.6
151.50914	0.3
159.02905	1.5
163.03906	0.3
171.04327	0.3
175.03880	0.8
175.14815	8.1
187.03787	0.7
191.03362	0.9
191.14201	0.5
193.15839	0.5
197.05940	0.2
199.03923	0.4
203.03383	8.5
209.15305	0.7
215.03377	2.1
219.02869	0.3
219.08064	0.5
225.01802	1.3
227.03380	1.3
230.02092	0.3
231.04837	0.4
235.07564	0.4
239.03273	0.4
243.02882	6.2
247.07498	1.0
253.08711	0.4
255.02742	0.4
261.03888	0.7
271.02399	1.1
275.07040	2.0
287.05359	2.3
289.03394	4.1
293.08078	1.4
303.06482	2.8
321.04266	0.3
321.07507	1.7
331.05969	1.1
347.09064	0.7
349.06970	3.8
359.05524	0.5
373.07095	2.9
376.05963	0.4
377.06525	40.2
378.06912	0.9
401.06671	0.6
403.04120	0.2
403.08115	8.9
405.06018	100.0
406.06357	2.1
429.05988	6.2
447.07080	72.1
448.07370	1.4
465.08118	3.5
639.13312	2.7
792.79169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59143	0.3
63.39072	0.3
65.03919	0.8
67.05502	4.2
69.03428	2.0
69.07056	2.2
69.35919	0.3
70.57151	0.8
71.01328	0.3
71.04989	10.2
73.02882	0.4
75.04443	0.5
79.05487	3.7
81.03429	1.5
81.07050	4.5
83.04939	1.1
83.08592	0.6
85.02899	16.1
85.06535	0.4
87.04430	0.3
91.03947	0.3
91.05480	6.1
93.07049	3.4
95.04956	1.5
95.08072	0.3
95.08598	3.4
97.02885	2.3
103.05418	0.4
105.06401	0.5
105.07024	6.2
107.01299	0.4
107.04893	0.5
107.08572	2.0
109.02872	0.9
109.06499	0.4
109.10115	1.2
111.04436	0.6
115.05397	0.9
117.07023	2.4
119.08588	4.5
120.08053	0.4
121.02850	2.5
121.06427	0.4
121.10079	1.3
123.04384	0.9
123.08031	0.5
127.03911	1.8
129.05473	2.8
129.06952	1.1
131.08562	2.7
133.06432	0.3
133.10127	2.4
135.04343	0.5
135.11642	0.5
137.02333	17.5
137.03386	0.9
143.04921	0.3
143.08493	0.6
145.04926	0.9
145.06314	0.4
145.10138	2.6
146.18695	0.3
147.04266	0.4
147.06470	0.6
147.11604	1.1
149.02299	0.9
151.03899	0.4
153.01816	0.5
157.10046	0.6
159.11662	1.2
161.05833	0.6
163.03926	2.0
163.11040	0.3
165.01823	1.3
169.06371	0.4
169.83620	0.3
171.11597	0.4
173.05923	0.4
175.03918	0.5
175.07404	0.4
177.01686	0.4
183.02884	2.1
183.11598	0.4
185.05978	0.6
187.03830	0.8
189.05478	0.9
191.03288	0.8
199.03857	0.3
203.03368	0.4
205.04819	0.4
213.05371	1.3
217.04915	0.9
223.03819	0.4
225.05530	0.5
227.03491	0.4
229.04898	0.9
229.19449	0.5
239.06941	0.5
241.04947	1.3
243.06427	0.9
245.04420	1.9
255.06361	0.4
257.04382	0.4
257.18964	1.2
259.05978	1.1
267.06204	0.3
269.04507	0.5
273.03870	0.4
275.20123	2.5
283.06049	0.5
287.05450	5.6
297.04184	0.4
297.07431	0.5
299.05505	7.0
299.08911	0.4
302.04266	0.7
303.04980	5.5
307.09567	0.4
309.07520	0.5
311.05518	0.9
313.07065	1.0
315.04956	73.2
316.05304	1.8
317.06238	0.4
323.05313	0.9
323.08994	0.4
324.05719	0.4
325.07141	0.7
327.04932	2.4
327.08676	1.1
328.05386	0.5
329.06387	2.3
337.07086	1.2
339.04950	2.9
339.08658	0.9
340.05795	0.7
341.06512	3.2
343.08072	7.0
349.06995	0.4
351.08640	1.2
353.06491	2.1
353.10278	0.8
355.08063	1.0
357.05936	0.7
363.08578	1.4
365.06464	2.0
365.10440	0.6
366.07422	0.8
367.08087	3.1
368.08871	0.4
369.09674	5.8
375.08441	0.5
377.06415	1.3
377.10272	0.7
378.06860	0.5
379.03369	0.4
379.08035	7.6
380.08994	2.1
381.09766	2.1
391.07877	1.6
392.09021	0.5
393.09518	3.9
394.10410	1.3
395.11166	1.9
405.09677	1.6
407.11423	2.0
417.08990	0.5
417.13885	0.4
419.11267	2.6
421.13281	1.5
431.01770	0.4
433.12857	2.7
435.14594	0.5
447.14294	0.6
477.15451	0.4
483.16492	0.5
491.16956	0.5
507.16373	0.5
508.17398	0.5
517.19446	0.4
531.23840	0.9
543.23560	2.6
559.23236	21.8
560.23602	0.5
561.24841	8.5
562.25269	0.4
577.24280	100.0
578.24591	3.5
619.25464	0.8
643.24573	0.7
687.27362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04720	0.7
66.37200	0.8
67.05132	0.9
67.05498	16.7
69.03420	4.3
69.07065	7.3
70.16753	3.9
71.04985	2.9
71.08631	16.5
73.02896	2.9
73.06562	1.0
79.05485	13.6
81.03413	41.6
81.07056	24.8
83.04981	9.6
83.08144	1.2
83.08617	18.3
85.02899	23.9
85.06544	1.7
85.10177	8.6
89.06006	1.4
91.03960	5.3
91.04898	1.0
91.05473	18.2
93.07032	9.6
95.04960	17.1
95.08600	18.6
97.02892	7.3
97.06531	2.0
97.10168	4.4
99.08070	1.4
103.07580	0.8
105.07018	13.3
107.04940	3.8
107.08579	4.1
109.02827	0.9
109.06506	2.0
109.10165	6.5
111.04464	1.4
111.08083	7.6
111.11658	0.9
113.06007	1.7
119.08569	10.2
121.06465	1.3
121.10139	5.7
123.08051	2.2
123.11690	4.0
125.09638	0.9
127.03891	2.4
129.07007	5.2
131.08568	6.8
133.06465	2.4
133.10104	8.1
137.09648	1.3
137.13277	1.2
142.07770	1.9
145.04942	2.3
145.10098	1.4
147.08035	1.4
147.11662	9.0
149.09615	4.7
157.10135	8.3
159.71104	0.8
163.05986	1.9
165.12746	2.2
175.11160	8.8
176.38953	0.9
184.07317	0.9
193.12251	28.6
211.13281	43.3
239.23595	1.7
257.24683	1.8
267.15921	15.3
277.36768	0.8
285.16953	61.7
286.17117	1.1
313.27353	61.6
314.27585	1.6
400.99652	0.8
505.38864	13.9
523.39923	100.0
524.40344	3.1
525.42322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	8.5
67.05507	9.4
69.03423	3.1
69.07050	5.4
71.04962	2.6
71.08630	13.8
71.58973	2.6
73.02905	2.8
73.48453	1.5
79.05487	8.5
81.03413	5.1
81.07051	16.2
83.01340	4.5
83.04980	7.1
83.08620	10.2
85.02898	11.4
85.10184	9.2
90.01408	1.4
91.03954	6.0
91.05492	6.5
93.07034	13.1
95.04987	4.5
95.08594	11.8
97.02889	5.8
97.06524	1.5
97.10184	2.9
105.06995	4.0
107.04935	3.0
107.08607	7.6
109.06512	3.3
109.10143	3.7
117.06999	2.9
119.08555	5.2
121.06503	2.3
121.10151	4.1
123.08047	4.7
127.03922	2.8
133.10146	1.6
135.11690	6.2
135.14409	1.4
137.09586	1.9
145.04930	3.9
145.10120	7.4
147.08035	2.0
163.06050	3.4
163.11177	13.2
168.56548	1.4
177.20277	1.6
181.12253	2.4
209.11699	4.9
221.22714	1.4
242.19742	1.6
265.54233	1.3
271.09973	1.5
283.15387	100.0
284.15640	2.7
285.93054	1.5
313.27353	71.8
334.71292	1.3
521.38367	58.5
522.38635	2.6
523.87250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23745	0.7
65.03925	1.8
67.05505	3.7
68.99778	0.8
69.03420	2.8
69.07086	1.5
71.04983	1.0
74.55560	0.7
79.05499	5.1
81.03404	3.0
81.07072	3.8
83.01347	1.6
83.04987	0.9
83.08623	2.5
85.02910	5.2
87.00839	1.7
91.05482	20.9
93.07053	5.5
95.04976	2.7
95.08602	4.1
97.02887	1.7
97.10178	4.3
98.20798	2.0
102.27715	0.6
105.07031	6.2
107.08598	8.0
109.01685	0.6
109.02879	2.0
109.10139	2.3
115.05413	1.0
117.07017	2.9
119.04947	22.8
119.08598	3.7
121.06491	5.0
121.10159	1.6
122.40325	0.7
123.04448	4.6
123.08053	3.0
125.09643	3.8
127.03927	3.1
128.06181	0.7
129.07004	0.8
131.08528	1.8
133.10135	2.3
135.08047	2.8
137.05991	3.5
139.07503	0.9
143.08600	1.5
145.05008	1.1
145.06493	3.5
145.10115	2.4
147.04515	0.7
147.11702	1.6
149.05984	100.0
150.06364	1.9
151.07547	28.3
155.08543	1.1
157.10150	0.8
159.08015	1.1
161.06006	3.1
163.07574	3.9
163.11191	0.7
165.09166	1.2
169.10197	0.8
170.36574	0.6
171.08057	1.6
173.05946	1.4
173.09587	1.1
175.07544	21.0
175.09023	1.1
177.09180	4.1
183.08060	0.9
187.07581	1.4
189.09238	3.4
189.11183	4.5
191.10681	3.5
199.07550	1.1
201.09056	0.9
203.10663	10.9
204.11093	0.9
205.12239	38.8
206.12573	2.0
211.07578	0.9
212.08281	0.8
213.09087	2.0
215.10612	4.3
217.12296	1.5
225.09232	1.4
227.10606	3.2
229.12302	2.5
231.13809	16.2
235.17094	0.8
239.10652	1.0
239.86249	0.6
241.12271	1.7
243.13721	1.8
245.15407	1.1
255.13721	0.8
257.15341	1.7
275.20135	3.6
279.10019	0.7
283.09619	1.9
285.11221	27.8
325.21658	2.1
326.05795	0.8
353.17374	1.6
353.21207	1.8
361.27802	0.8
371.22177	14.4
377.17453	1.3
411.25476	1.2
411.92004	0.8
429.26428	1.7
439.21039	0.8
439.28455	3.3
479.31607	3.5
497.32700	8.0
515.72345	0.7
533.16132	1.3
559.30847	1.1
615.36932	1.1
633.37378	1.6
719.33008	0.9
911.35852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	8.6
69.93490	2.8
71.08627	5.7
71.19836	6.2
79.05508	4.3
81.03402	3.6
81.07066	11.0
83.08627	3.8
91.05505	3.7
93.07047	5.5
95.08609	9.5
105.73212	2.9
109.02882	3.2
109.10162	4.8
127.22937	2.7
134.88068	2.4
134.99664	4.2
144.04663	3.2
146.99661	3.5
154.94159	15.2
172.95238	95.0
190.96286	96.5
195.96866	8.4
196.95273	3.7
200.11365	3.0
201.00706	4.7
208.68143	2.8
208.97296	3.9
210.96843	3.3
213.98009	9.8
214.96358	5.7
228.97791	16.7
246.99030	6.7
256.97641	3.2
280.97531	8.0
292.98529	3.0
298.98395	15.5
313.27359	17.8
316.99420	40.9
317.17847	49.4
331.21527	5.7
335.18909	30.1
335.25952	10.8
358.20728	6.6
373.20633	6.6
449.19965	8.9
453.17358	6.8
467.21359	5.0
471.18402	11.5
488.65109	2.9
494.19702	3.4
541.19067	6.9
559.19879	3.5
593.23419	4.7
611.25201	4.8
615.22821	5.1
629.45331	3.5
633.23303	5.1
709.41187	2.9
727.42462	6.8
810.73236	4.4
871.46399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.6177
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	5.8
67.05501	100.0
69.03426	6.4
69.07064	38.5
71.04972	7.2
71.57845	2.4
71.58256	4.0
74.09721	3.2
79.05489	88.5
81.03423	3.0
81.07053	93.2
83.04978	10.5
83.08617	32.7
85.02894	3.1
85.06539	6.4
91.05473	78.4
93.07045	75.7
95.04983	17.7
95.08599	83.0
97.06519	8.8
97.10165	40.9
103.05440	3.8
105.04478	2.9
105.07029	72.1
107.04924	8.7
107.08591	73.6
109.06503	12.2
109.10159	36.0
111.08062	6.6
114.95090	3.0
115.05432	6.3
117.07008	38.7
119.08578	53.8
121.06499	4.7
121.10146	35.2
123.08043	6.7
123.11697	9.1
125.09626	29.4
128.06209	9.1
129.06975	27.3
130.07767	3.9
131.08554	43.6
133.06477	6.1
133.10121	34.8
133.48933	2.3
135.08044	7.7
135.11685	20.9
137.09602	5.4
139.11176	9.4
141.06998	10.0
142.07736	8.7
143.08542	33.2
145.06456	3.6
145.10110	44.3
147.08018	4.3
147.11705	22.3
149.09631	6.1
149.13261	7.2
153.06982	3.0
153.09090	4.9
154.07837	2.9
155.08557	24.9
156.09378	3.4
157.10117	30.0
159.08035	5.5
159.11684	27.3
161.09627	4.4
161.13292	6.4
163.11104	4.9
165.06990	6.3
166.07773	5.2
167.08546	16.0
167.10677	3.4
169.10095	21.0
171.11697	17.9
173.09622	4.8
173.11751	7.1
173.13269	13.2
175.11282	3.0
175.14812	7.5
179.08508	6.5
180.09303	3.4
181.10091	14.1
183.08009	3.5
183.11652	18.1
185.09628	3.4
185.13293	13.4
187.11179	3.0
187.14861	8.5
189.11205	21.1
191.08519	4.0
192.09290	4.8
193.10048	8.8
195.11569	15.4
197.13254	15.3
199.11171	4.9
199.14789	7.5
201.16348	4.5
203.08618	4.2
203.14368	3.2
205.10101	6.3
207.11679	11.0
209.13261	7.7
211.11308	2.7
211.14845	8.7
213.16356	5.2
215.17915	5.2
217.10083	3.6
219.11612	6.6
219.13554	2.8
221.13235	9.8
221.15292	4.9
223.14833	7.3
227.14359	3.8
229.10117	3.7
231.11583	3.0
233.13318	5.5
235.14862	6.4
237.16415	5.5
239.18060	3.1
245.13202	4.8
247.14778	5.9
249.16379	3.7
249.18526	5.5
257.18982	5.0
261.16302	3.4
263.14420	3.5
263.17575	3.9
263.20111	6.8
265.19717	3.3
275.20071	42.9
277.21603	11.0
291.19449	6.4
297.18655	3.4
301.21625	3.3
307.20389	2.8
311.19907	2.8
313.21680	4.7
317.21356	3.0
327.23227	4.5
339.23257	4.9
353.20984	2.9
353.24866	3.7
367.26172	5.5
369.27960	4.4
381.27753	5.1
383.29666	4.1
395.29315	4.7
431.28983	4.0
449.30646	3.0
549.39532	5.5
567.40186	7.3
655.46948	3.8
669.48761	4.9
673.48431	4.1
687.49664	3.8
705.51263	3.7
841.58911	10.9
859.60321	11.9
861.03827	3.1
877.61121	7.2
889.85736	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.9
67.01857	2.0
67.05492	5.7
68.99776	3.1
69.03426	9.4
69.07062	9.1
71.04980	1.4
71.57796	1.1
79.05480	6.8
80.50912	0.7
81.03403	10.7
81.07037	6.3
83.01328	1.1
83.04986	0.9
83.08646	0.9
84.48972	0.7
85.02901	12.3
85.06548	0.8
87.00829	5.1
91.03947	0.8
91.05473	3.0
93.07035	4.7
95.04950	2.2
95.08602	4.8
97.02891	5.4
97.06524	2.1
97.10157	2.5
99.04440	3.0
101.06001	0.9
105.01840	2.1
105.07003	2.6
107.08563	2.6
109.02860	6.7
109.10120	1.6
111.00778	1.7
117.01820	1.4
119.08567	2.0
121.02849	0.7
121.06494	0.8
121.10121	3.9
123.04430	1.3
123.08058	0.9
125.09641	0.9
127.03915	7.4
128.06229	0.7
129.01814	1.0
131.08519	1.3
133.10103	0.9
135.08049	1.5
137.02341	1.1
137.09581	1.4
139.03877	2.2
139.11121	1.7
144.52675	0.7
145.04939	1.9
147.04338	1.1
149.09592	1.1
151.07529	0.9
153.01813	100.0
153.06941	1.8
154.02132	1.1
159.02858	3.2
160.05219	0.7
161.06015	1.5
163.03864	1.4
165.01833	1.7
165.06947	0.9
167.08629	0.9
169.06476	1.1
171.02910	2.6
173.06020	2.8
175.03900	1.1
177.05443	0.8
181.01299	1.4
181.06444	1.3
181.10081	0.7
185.05966	1.4
187.03905	1.7
187.07492	1.8
195.02928	1.9
197.05956	1.2
198.06721	0.9
199.07510	1.6
201.05467	1.1
201.09111	1.2
203.03383	5.1
203.10747	1.0
209.05852	1.3
209.09538	1.5
210.06853	0.8
211.07445	1.7
212.08228	0.7
213.05492	3.1
213.09079	1.0
215.03415	1.7
215.06924	1.0
215.10562	1.0
222.06761	0.8
223.07477	1.1
225.09073	1.1
227.06905	1.7
227.10718	1.6
229.04935	2.1
229.08847	1.4
229.12210	1.1
231.05070	1.1
235.07440	1.2
237.05528	1.4
239.07040	2.0
239.10651	1.3
240.04111	0.9
241.04915	3.2
241.08530	2.2
243.10257	1.0
251.06921	1.3
253.05135	1.4
253.08589	1.7
255.06454	2.4
255.10211	4.6
257.04553	0.9
265.04904	2.1
267.06528	1.3
269.04446	1.4
273.03964	2.7
281.08163	1.4
282.05185	13.5
283.05975	11.5
283.09616	7.5
285.03900	3.2
287.05551	2.0
291.06705	1.2
293.04456	3.6
293.11575	0.8
295.06046	3.2
297.03870	1.8
298.04526	1.6
299.05713	1.8
303.05045	2.3
307.06018	0.9
309.07578	0.8
310.04633	1.1
311.05441	8.3
313.03400	18.5
315.04919	2.3
319.06006	1.4
321.03781	1.3
321.07278	1.0
323.05408	8.7
324.06229	1.4
325.07059	1.3
326.04065	2.1
327.04947	5.2
329.02972	1.0
335.05521	1.9
337.06979	1.8
339.04956	17.7
340.05576	1.0
347.05261	1.4
348.06244	1.8
349.07068	4.1
349.10751	1.0
351.04724	1.7
351.12244	3.2
353.06500	2.2
361.06949	1.7
363.04861	1.4
363.12442	2.4
365.06253	1.8
367.07999	1.0
375.08582	1.7
377.10248	3.1
379.11853	1.2
381.04944	1.4
381.09641	24.0
383.11356	1.2
389.06134	1.1
389.10544	1.0
391.11728	7.3
393.09692	1.7
395.11227	3.3
399.14441	0.9
403.18698	0.9
405.13321	0.8
405.20642	1.7
409.12799	7.1
421.12735	4.2
421.19897	1.3
423.14508	1.7
423.21628	3.8
431.18704	1.1
449.19604	2.1
450.68756	0.8
467.20209	1.5
489.15372	4.1
505.14807	1.8
506.15326	0.9
507.16434	4.2
523.15417	1.0
524.16583	1.5
527.17572	0.9
529.22089	2.7
539.20392	1.4
543.09216	1.7
547.22791	2.0
555.08997	2.4
557.21704	11.4
558.21899	0.8
575.22693	24.6
576.22693	1.1
593.23700	18.9
594.24188	0.9
611.15387	1.8
611.24670	17.6
833.33923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	11.6
67.05505	91.0
69.07061	26.1
71.04960	10.4
71.58126	11.8
79.05495	86.1
79.09837	8.9
81.03416	12.8
81.07063	65.2
83.08621	19.5
85.02888	10.3
85.06513	10.2
91.05486	100.0
92.10580	7.8
93.07043	96.9
95.04962	23.1
95.08605	69.5
97.06531	12.9
105.07035	99.4
107.08607	52.7
109.06523	20.5
109.10155	22.0
111.08060	11.6
115.05515	7.3
117.07026	57.3
119.08575	64.3
121.10134	27.2
125.09698	8.0
128.06238	16.8
129.06985	51.2
131.08572	56.2
133.10143	30.0
135.08086	12.3
135.11685	16.8
139.74483	8.7
141.06966	12.3
143.08542	30.3
145.10152	52.8
147.11699	31.8
149.09619	14.6
154.07832	7.8
155.08542	16.3
157.10184	30.7
159.11693	38.3
163.11205	12.4
169.10091	24.7
171.11676	21.6
173.13310	15.2
181.10194	17.1
183.11676	31.3
185.13271	35.3
195.11688	10.2
197.13231	9.8
203.14314	16.1
219.17500	10.0
239.18005	16.8
257.19016	32.3
275.20081	41.3
347.22345	9.2
349.23660	39.3
372.66803	8.2
401.98120	10.5
513.37231	13.1
551.37451	10.1
565.38776	9.1
569.38422	9.7
605.41193	9.0
623.42816	35.2
872.97650	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69242	2.8
61.02911	13.6
67.05503	100.0
69.03397	3.7
69.07055	6.3
69.07911	2.6
70.06569	3.8
71.58525	4.8
76.57804	2.9
79.05490	23.2
79.05883	3.9
81.07059	43.8
83.08604	4.0
85.02883	13.2
90.11079	3.5
91.03946	7.5
91.05479	17.2
93.07047	31.7
95.08598	29.8
97.02899	4.9
105.06999	5.1
107.08602	14.3
109.10158	73.7
111.08084	3.9
118.81960	2.7
119.08564	9.8
121.10175	14.5
123.11682	3.5
127.03883	4.7
131.08577	5.1
131.74117	3.1
133.10124	5.3
135.11671	6.2
137.09595	3.8
145.04918	3.9
145.10063	4.4
147.11627	4.0
149.13258	4.7
161.13182	3.3
163.06104	4.0
173.11713	20.7
173.13191	6.9
175.14740	3.0
197.82738	2.9
227.12675	5.8
229.14354	83.7
243.21072	8.0
261.22153	21.1
283.02765	3.3
317.24854	3.7
335.25797	71.6
356.58160	2.8
484.96317	3.3
489.35730	68.6
507.36542	7.3
632.25098	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	4.4
59.98598	1.0
61.02921	10.4
61.43169	1.0
65.03933	2.8
67.05501	95.6
69.03413	2.8
69.07067	7.8
69.26362	13.6
71.04971	2.9
73.02895	3.1
79.05489	19.4
81.03416	2.0
81.06581	2.1
81.07049	33.7
83.04960	1.8
83.08626	6.8
85.02893	14.6
85.06527	2.6
91.03959	9.1
91.05470	14.2
93.07044	21.7
95.04941	1.8
95.08602	29.8
97.02885	6.4
97.06493	1.7
97.10152	2.8
105.07015	7.5
107.08568	13.6
109.06490	1.3
109.10149	75.4
111.08077	3.8
117.07043	1.6
119.08575	11.5
121.10133	9.6
123.11691	2.7
125.09612	2.5
127.03911	3.7
131.08557	4.8
133.10101	4.1
135.11684	8.1
137.09654	2.7
137.13257	1.4
145.04936	4.4
145.10080	4.4
147.11671	3.2
149.13277	4.0
155.10660	4.4
159.11699	3.1
161.13239	3.1
163.06001	4.0
163.14836	2.2
173.11761	21.4
173.13254	3.5
187.14806	1.7
189.11142	1.4
198.17990	1.3
213.14836	1.1
227.12875	6.7
229.14336	100.0
243.21063	4.5
261.22147	17.8
317.24759	2.2
335.25781	67.3
336.25943	2.1
379.29498	1.6
397.31082	2.2
433.33450	1.5
452.60275	1.4
458.82291	1.5
462.33566	1.3
471.35034	2.0
489.35745	45.8
490.35977	2.3
507.36633	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.6434
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	6.8
67.05499	98.2
69.03409	4.9
69.07063	45.8
71.04983	5.1
71.58775	2.7
78.80977	1.5
79.05489	76.4
81.03432	2.0
81.07048	100.0
83.04981	6.6
83.08609	35.0
85.06548	4.2
91.04891	3.3
91.05475	67.1
93.07037	95.6
94.07317	2.0
95.04964	10.6
95.08600	91.9
97.06532	8.5
97.10162	45.0
99.08080	4.8
103.05487	2.2
105.07027	67.6
107.08585	64.5
109.06506	4.9
109.10145	50.3
111.08076	6.3
111.11674	3.4
115.05442	4.7
117.07008	41.6
119.08574	57.9
121.06494	2.6
121.10136	41.7
123.08076	5.1
123.11705	14.3
125.09611	24.7
128.06207	5.9
129.07004	24.2
131.08560	50.8
131.09529	3.6
133.10117	51.7
135.08023	5.3
135.11688	36.4
137.09615	3.7
137.13248	5.5
138.31050	1.8
141.06981	11.5
142.07753	4.1
143.08546	28.1
145.10103	45.8
147.11676	32.2
149.09558	3.6
149.13248	20.6
151.14787	1.9
153.01802	5.6
153.06995	2.4
153.09093	3.4
153.12729	1.7
154.07681	2.3
155.08540	19.6
156.09273	2.3
157.10117	26.2
159.11679	39.7
161.09561	3.3
161.13255	19.6
163.11095	3.2
163.14832	9.0
166.07603	2.0
167.08546	9.9
169.10069	16.0
171.11676	26.3
173.11787	3.5
173.13231	25.7
175.14803	10.9
177.16273	3.1
179.08598	7.5
181.10103	12.4
181.12154	2.2
182.10939	2.3
183.11656	19.9
184.07346	2.1
185.13223	20.3
187.14821	18.4
189.11209	12.4
189.16396	8.3
191.14337	1.9
193.10152	6.2
195.11714	12.8
195.13322	2.4
197.13264	16.2
199.14816	12.4
201.16341	8.5
203.18030	3.6
205.10179	2.4
207.11710	5.8
209.13292	10.9
209.15218	3.1
211.14841	10.9
213.16339	11.3
215.17964	9.3
217.19499	2.2
219.11789	4.0
219.99461	2.2
221.13264	4.0
221.15327	3.6
223.14769	8.2
223.16858	3.6
225.16364	6.3
227.17963	6.8
229.19431	3.2
233.13214	3.4
235.14793	4.7
235.16916	3.4
237.16382	4.1
237.18434	2.7
239.17903	5.4
241.19467	3.7
247.17091	2.7
249.16341	3.4
249.18578	2.9
251.17827	2.3
251.20135	5.4
253.19524	2.9
257.18912	3.0
259.20453	3.2
261.18680	3.1
263.20096	8.0
265.21732	3.5
267.21005	3.5
275.20190	13.7
277.21622	43.2
278.22028	2.5
283.20496	3.3
285.18570	2.4
285.21997	3.3
287.20050	4.3
289.21689	7.6
291.23337	3.3
297.22076	2.6
299.20068	2.5
299.23532	3.1
301.21454	4.8
303.23129	7.3
305.24911	2.7
311.20050	3.3
313.21609	4.4
315.23154	6.5
317.24796	3.6
319.26193	2.2
327.23083	4.5
331.26196	2.7
341.24661	4.9
345.27805	2.8
355.26273	4.0
357.27777	5.1
359.29507	5.0
361.31073	2.2
369.27896	4.5
371.29398	6.6
373.30881	2.0
381.27615	2.9
383.29425	6.3
385.30878	10.8
387.32526	8.2
389.28104	2.2
395.29361	3.7
397.30847	3.9
407.29294	3.2
409.31094	3.0
411.32553	2.9
421.30939	5.6
423.32492	2.5
431.31564	2.5
433.33231	1.9
435.32587	2.0
443.31683	2.9
445.33063	7.5
447.34695	5.8
457.33640	2.9
459.34451	4.3
471.34564	3.4
473.32819	2.2
475.34372	2.3
477.15512	3.0
525.39520	2.3
551.41016	4.6
553.42719	11.5
555.43665	5.9
565.42609	2.9
569.42310	3.6
605.45233	2.6
607.46783	2.2
617.45190	2.3
659.52942	5.7
661.51910	9.1
675.53204	12.3
679.50665	2.3
749.56665	3.0
759.54938	6.2
793.60822	3.2
811.61780	7.0
829.63336	30.6
830.64954	2.4
847.64337	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99835	1.1
61.02924	4.1
61.84575	1.4
65.03942	2.5
67.05502	23.5
68.99788	3.5
69.03429	21.9
69.07063	14.7
71.04990	3.5
71.35001	2.7
73.02914	3.9
79.05492	16.5
81.03411	24.1
81.07060	12.8
83.04991	3.1
83.08610	1.8
85.02905	28.5
87.00829	13.1
91.05479	12.4
93.03461	1.2
93.07045	20.7
95.04409	1.2
95.04956	5.6
95.08607	33.7
97.02875	12.4
97.06506	2.9
97.10163	4.0
99.04478	6.9
105.01854	7.2
105.07019	7.4
107.04955	5.4
107.08596	7.3
109.02876	17.9
109.06517	1.2
109.10170	3.0
117.01846	1.8
117.07005	3.0
119.08549	4.2
121.02844	2.3
121.06499	2.2
121.10135	6.7
123.04427	2.1
123.08099	2.4
125.09665	1.2
127.03914	19.7
129.01772	1.8
131.08565	3.2
133.10115	3.7
135.08067	3.1
137.02333	19.1
137.03305	2.0
139.11185	4.0
145.04980	6.2
145.10045	2.5
147.02821	1.3
147.11713	2.3
149.06006	2.1
153.01826	5.7
159.02888	11.3
159.11665	1.8
160.50519	1.3
161.06056	2.0
163.03905	4.9
163.07495	1.7
165.01848	3.9
179.03398	1.3
183.02908	2.6
191.03409	1.4
201.05522	1.7
203.03372	1.8
203.12724	2.2
229.04941	4.7
231.04877	2.5
255.06351	1.3
257.04370	2.5
275.20004	13.6
285.04150	1.9
287.05493	9.3
293.21088	2.7
299.05350	2.1
302.04279	2.6
303.04996	84.9
304.05316	2.7
311.05478	1.7
315.04965	59.4
316.05426	2.1
323.05316	1.9
327.04962	25.7
329.06616	3.5
339.05051	7.4
339.08563	1.8
340.05658	1.8
341.06503	9.5
343.08173	6.1
345.05560	1.4
345.18265	1.4
353.06570	23.3
360.03464	1.4
365.06424	6.9
367.08136	4.3
377.06503	1.7
379.08170	3.9
409.12827	2.4
411.14368	64.4
412.14606	1.6
421.12692	3.6
423.14386	3.2
435.14474	2.8
439.13828	1.6
453.15353	3.3
465.15405	2.7
467.16922	1.9
469.14728	1.7
477.15472	2.4
481.14825	2.8
483.16379	6.1
495.16568	20.8
497.18314	2.4
499.15582	1.5
559.23248	15.8
577.24286	100.0
578.24396	4.8
595.25366	51.4
596.25488	3.6
601.23877	2.2
619.24933	2.0
685.26074	1.6
737.79193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80732	1.4
65.94141	1.9
67.05508	8.3
68.99806	3.4
69.03429	10.4
69.07059	3.7
69.94305	8.6
70.06584	1.2
71.05014	1.8
73.02905	1.4
74.27264	1.4
79.05479	7.3
81.03421	11.8
81.07055	6.5
83.04984	1.5
85.02902	12.5
87.00832	6.4
87.58737	1.3
91.05479	8.8
93.07041	5.5
93.79092	1.4
95.04974	3.9
95.08602	6.8
97.02892	5.0
97.06547	1.7
98.21386	2.7
99.04468	2.3
103.42298	1.4
105.01888	2.9
105.07016	7.1
107.08569	2.8
109.02877	7.7
109.06527	1.8
117.07030	4.5
119.08582	7.5
121.02862	1.9
121.10158	3.0
123.04428	1.5
127.03936	11.3
127.67712	1.5
131.08525	1.8
133.10118	3.8
137.02338	16.8
137.03328	2.3
143.08490	1.6
145.04939	2.3
145.10103	3.8
147.11726	2.1
153.01842	11.7
159.02882	2.9
163.03908	7.1
165.01785	3.5
167.03442	1.7
183.02879	3.2
204.97885	1.5
217.04993	3.3
231.04994	1.6
241.04993	2.1
245.04344	1.5
257.19064	2.1
275.20026	3.4
287.05475	3.7
299.05487	4.1
303.04843	7.1
313.03384	1.8
315.04968	91.0
316.05432	2.2
323.05511	2.0
327.05011	2.1
329.06497	2.1
337.07083	3.9
339.05029	6.1
341.06448	2.9
353.06686	2.0
365.06381	3.2
367.08176	3.7
369.09760	7.2
379.08124	12.3
380.08832	4.5
393.09659	5.8
395.11365	1.9
405.09280	2.3
419.11346	3.0
433.12515	2.2
465.15363	2.2
508.17413	1.7
542.25842	1.5
559.23334	28.1
577.24310	100.0
578.24573	5.6
595.24475	1.5
807.97015	1.8
843.40674	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.4
67.05500	24.3
68.99772	1.9
69.03428	13.0
69.07048	2.7
69.36407	1.2
69.77242	1.0
70.06572	1.1
71.04971	2.1
71.57708	1.3
71.58126	1.5
73.02911	2.1
79.05497	7.1
81.03414	15.7
81.07056	7.4
85.02902	18.8
87.00829	8.4
91.03949	1.2
91.05483	6.1
93.07031	5.3
95.04935	2.0
95.08591	8.0
97.02894	9.4
97.06544	1.7
99.04446	4.6
101.31822	1.1
105.01838	6.1
105.07012	3.0
107.04984	1.9
107.08592	3.3
109.02865	12.1
109.10162	5.2
117.01839	2.0
117.06999	1.4
118.82771	1.1
119.08585	3.3
121.10110	2.0
127.03918	11.1
127.77650	1.0
129.01877	1.8
137.02333	14.5
145.04950	3.6
153.01828	13.9
159.02818	6.0
163.03880	3.6
165.01855	3.6
183.02841	4.0
191.03426	1.6
213.05482	1.8
217.04897	2.0
225.08986	1.3
241.04916	2.2
259.05991	3.0
274.04602	1.1
275.20029	2.5
287.05505	4.3
295.05917	1.6
299.05521	2.6
303.04971	10.0
313.06717	1.7
315.04953	100.0
316.05338	3.0
317.06607	1.2
325.06824	1.7
327.04822	2.2
329.02744	1.3
329.06509	2.2
339.04965	7.5
341.02917	1.6
341.06393	6.8
343.08154	5.5
353.06583	6.2
365.06284	1.7
367.08243	2.2
369.09677	1.4
379.08163	1.8
411.14151	2.3
421.12808	1.3
439.13855	18.7
451.13751	4.9
457.14890	14.5
463.13614	1.7
467.13290	3.9
469.14920	9.3
481.14655	5.4
507.15375	1.7
541.22235	1.4
549.24786	1.9
559.23206	11.0
577.15082	1.5
577.24274	45.3
595.25342	57.6
596.25580	2.1
601.23871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98380	10.4
61.02901	12.2
65.67379	9.7
67.05505	87.0
69.07060	26.6
71.58786	20.3
76.68452	10.4
79.05496	94.7
81.07050	86.9
83.04969	10.5
83.08628	17.3
91.05470	100.0
93.07040	91.3
95.04942	18.0
95.08602	59.9
97.06505	12.6
99.08072	15.8
105.07018	97.8
107.08616	63.3
109.06492	12.5
109.10138	24.6
115.66322	9.8
117.07004	45.1
119.08597	60.8
121.10133	19.7
124.22842	10.8
125.09664	10.2
129.07010	34.0
131.08545	53.2
133.10126	45.6
135.11662	20.9
135.97487	11.7
141.06960	20.0
142.07716	15.5
143.08537	36.8
145.10112	50.8
147.08072	11.4
147.11668	34.3
155.08485	25.3
157.10143	32.1
159.11703	35.0
161.13290	16.5
169.10117	25.3
171.11702	21.6
173.13158	17.9
181.10110	18.9
183.11703	15.8
185.13312	27.3
195.11842	15.1
197.13300	14.7
226.81296	10.1
227.65732	10.5
241.19536	13.3
257.19043	15.1
275.20062	20.1
298.82251	11.2
333.24246	18.7
432.82318	11.5
513.35736	12.6
515.38721	24.3
553.38770	29.1
607.43591	69.0
625.44183	31.0
701.27722	13.2
742.32782	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44257	1.4
65.03947	1.5
67.05507	30.1
69.03431	11.2
69.07066	32.0
71.04991	5.2
71.58862	2.2
79.05491	29.5
81.03413	21.4
81.07055	25.1
83.04978	12.1
83.08607	4.1
85.02898	6.1
91.05475	26.3
93.07047	36.9
95.04968	12.0
95.08608	22.2
97.02911	6.9
97.06528	10.2
97.10175	4.9
99.04457	6.9
105.07027	19.4
107.04948	38.0
107.08606	23.8
109.02881	10.9
109.06533	6.5
109.10146	11.5
111.04441	16.4
115.05423	2.3
117.07015	7.4
119.04929	2.6
119.08568	16.6
121.06496	4.4
121.10139	16.0
121.17407	1.5
123.04477	2.2
123.08068	5.7
123.11730	1.7
125.02375	3.9
125.09623	5.5
127.03915	11.4
128.06277	2.0
129.07028	6.3
131.08591	11.7
133.06503	5.2
133.10124	10.9
135.08049	11.3
135.11693	4.2
137.09634	6.5
139.11166	3.7
143.08588	6.9
145.06589	1.8
145.10139	7.0
147.08034	4.7
147.11700	6.6
149.09608	20.5
149.13297	2.2
151.07558	3.7
151.11211	1.8
153.09109	5.3
155.08524	2.4
157.10164	3.8
159.08086	2.2
159.11703	5.6
161.09592	8.4
163.07544	2.1
163.11206	2.9
165.12849	1.8
167.14330	1.8
169.10101	2.1
171.08093	2.5
171.11736	4.8
173.11873	3.1
173.13263	3.0
175.07625	2.1
175.11168	7.7
177.12817	2.5
179.10614	3.8
181.10165	2.5
183.11661	1.7
187.11212	2.3
189.11223	3.4
189.12752	2.9
193.12227	3.8
195.13896	3.7
199.11180	11.5
203.10617	2.2
203.12741	2.6
205.12367	1.7
217.12181	9.9
219.13885	2.2
221.11649	2.2
223.13239	2.3
227.17876	1.7
235.13379	2.0
245.18980	4.5
247.13353	2.5
255.17535	3.3
255.81349	1.4
263.12854	3.0
263.20047	5.6
273.18497	25.7
277.14359	1.6
289.17935	2.1
291.19534	100.0
303.15869	2.6
307.18915	2.7
309.20526	15.3
315.19550	6.4
323.14923	3.2
333.20587	3.5
335.25754	8.4
341.15930	4.0
345.20538	1.8
365.22946	1.8
371.21762	2.3
381.20508	2.0
399.21658	6.6
407.31030	2.5
417.22675	16.0
435.23691	19.1
453.25027	7.7
531.36432	2.3
625.44531	4.0
720.81580	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.334
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	4.4
69.03442	2.1
69.07060	2.0
69.31203	13.1
69.31631	7.3
70.06589	11.1
72.08177	2.4
79.05491	3.7
81.03412	5.5
81.07056	3.0
83.47138	1.9
84.08176	2.8
84.25554	1.9
85.02887	4.4
86.09702	4.1
86.48495	1.7
91.05490	4.1
93.05804	3.8
94.06569	3.5
95.04984	4.4
107.07363	2.6
108.04524	2.6
108.08111	87.5
109.02874	3.9
120.08122	4.5
122.05970	5.1
124.07571	2.8
127.03941	2.9
136.07574	100.0
138.05513	6.3
138.09131	2.3
140.07053	8.1
146.06010	7.5
148.07484	3.2
150.05490	3.0
150.09129	2.3
152.07071	5.3
154.08620	3.5
160.03844	2.1
160.07564	2.6
162.09125	2.2
164.07069	14.1
166.08752	1.7
166.19710	1.9
168.06551	4.2
172.03947	3.0
174.05536	3.9
178.08566	3.0
190.08620	3.5
199.08690	5.0
200.10838	2.9
204.06479	4.2
206.08112	2.4
211.08667	7.3
212.09421	2.8
213.10205	5.2
218.08063	4.5
224.10693	2.5
225.10222	11.7
226.10982	3.0
227.08133	5.6
227.11800	4.8
228.10155	7.8
237.10234	2.6
239.08058	3.5
239.11778	9.8
240.08839	4.1
241.09732	8.4
243.11237	3.2
244.09695	6.1
251.08017	3.4
252.08653	2.7
253.09702	17.4
254.10587	3.6
255.07579	3.0
255.11327	9.7
255.13640	1.9
257.12805	5.3
259.10733	2.7
265.09695	3.8
267.11270	17.5
268.08478	2.2
268.12100	2.0
269.05121	1.9
269.12857	3.4
273.08936	2.9
275.13956	2.9
277.09839	3.1
279.11227	4.4
281.09283	8.3
283.10767	9.7
284.11655	2.4
285.12320	8.8
287.05499	2.4
287.10193	4.0
295.10776	17.3
297.12277	12.1
299.10281	4.5
299.13660	2.0
300.11014	2.6
301.11810	6.3
303.05219	2.7
311.10229	4.8
313.11832	39.5
315.13275	3.9
323.10196	14.6
323.13446	2.4
327.13272	2.7
328.10815	2.8
329.11404	4.0
341.11243	26.9
342.12155	4.9
343.12976	4.7
355.12927	10.7
359.12500	2.2
362.15100	2.0
363.13177	2.5
371.12308	2.1
373.13892	27.9
374.14780	2.7
383.12518	4.3
409.13934	3.1
411.15579	2.6
415.14886	6.4
416.16003	2.4
427.15027	2.2
434.17334	4.6
439.15137	5.1
449.13580	3.3
452.18039	7.0
457.15933	7.3
462.16541	2.8
464.18054	3.9
467.14670	9.0
475.17236	5.4
476.17966	4.2
477.18896	2.4
480.17468	14.7
481.16531	2.5
482.19043	9.5
485.15448	13.7
487.17044	2.3
492.17636	3.1
494.19012	3.5
496.20578	4.6
499.17090	8.8
512.20020	2.9
514.21985	4.3
517.18115	12.3
535.18958	5.1
599.25031	4.8
601.26196	6.8
604.22650	2.7
608.22064	4.1
609.22620	3.2
617.25928	10.5
622.23395	5.5
624.21130	2.5
625.22040	2.7
626.23022	4.2
627.24603	10.3
640.24585	4.0
641.25671	2.8
645.25446	19.6
658.25757	2.8
659.27246	12.1
677.28131	14.5
687.26276	2.4
725.27600	5.3
739.29224	2.7
743.28650	4.7
753.27417	3.6
761.29858	3.3
771.28577	9.3
785.29913	6.1
789.29169	8.7
803.30731	7.9
821.31665	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06574	1.0
59.50882	0.4
61.02896	1.3
62.25106	0.4
63.02364	0.9
65.03952	0.4
67.05508	4.9
69.03434	5.3
69.07062	2.2
70.06595	2.8
70.94412	1.1
71.04990	0.7
72.08138	1.0
73.02888	0.5
73.72928	0.4
74.06075	2.0
79.05470	1.9
81.03424	4.7
81.07059	4.9
83.05004	0.5
83.08626	0.8
84.08144	2.7
85.02907	5.9
87.04480	0.6
89.03916	9.8
91.05450	1.8
93.07050	2.0
95.08602	4.4
96.08113	1.5
97.02879	3.2
97.06529	0.5
97.10147	0.6
98.09672	1.8
99.04455	0.7
101.02303	0.4
105.07024	1.0
106.04152	0.8
106.80112	0.6
107.04947	0.8
107.08580	1.5
109.02888	3.1
109.10158	1.8
110.09653	0.8
117.03379	24.4
118.37019	0.4
119.04984	0.6
121.10130	0.8
124.05196	0.8
127.03893	1.7
131.04861	0.5
133.10080	0.7
134.03606	1.4
135.04440	2.7
137.05936	1.5
145.02846	67.7
145.10101	0.6
146.03197	0.9
147.04341	0.6
149.05960	7.5
163.03917	1.7
177.05470	100.0
178.05789	0.7
186.05591	2.1
195.06505	1.0
242.76797	0.5
248.23747	0.5
250.25299	20.2
251.25632	0.5
252.23248	5.1
268.26361	16.0
269.26733	0.7
270.24313	0.8
276.23291	2.6
294.24298	3.0
312.25323	12.2
321.09729	4.3
323.10190	0.6
330.26404	30.1
339.10883	1.1
354.26730	0.7
372.27591	1.0
479.91278	0.5
575.57025	0.4
654.36609	0.6
668.36359	6.6
741.57037	0.5
812.41412	1.2
830.29944	2.4
830.41785	52.8
831.42249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46930	0.8
60.39891	0.7
61.02914	1.6
63.47495	1.0
65.03943	1.7
65.25352	0.9
66.63445	0.9
67.05502	25.2
68.99761	0.9
69.03426	12.2
69.07037	2.4
69.15227	0.9
70.82930	2.1
70.83286	1.2
71.04990	2.2
73.02913	2.6
79.05485	5.6
81.03417	14.5
81.07058	5.5
83.08617	1.3
83.33532	0.8
85.02903	14.8
87.00817	7.3
91.05483	6.2
93.07034	3.8
95.04966	1.9
95.08598	7.6
97.02892	8.6
99.04440	3.1
105.01857	3.1
105.07021	3.0
105.80003	0.9
107.08584	2.3
109.02887	8.4
109.03548	1.7
109.10149	4.3
117.01834	1.0
119.08578	1.7
121.02868	18.9
121.10106	1.0
127.03909	10.3
129.01768	1.1
131.08553	1.7
133.10121	1.1
135.08040	1.4
137.02394	1.0
137.09589	1.5
145.04973	3.2
147.04417	2.5
159.02898	5.0
161.05968	1.1
163.03975	1.1
165.01840	2.5
175.04050	0.9
183.02939	2.8
199.40967	0.9
201.05504	2.2
243.06462	2.9
251.07011	0.9
257.04105	1.1
271.06055	2.5
275.20239	1.3
283.06094	1.0
286.04764	1.2
287.05481	11.4
297.07803	1.1
299.05493	100.0
300.05899	3.2
311.05493	3.1
313.07001	3.6
315.04993	2.9
316.05237	3.3
317.05353	1.1
323.05435	8.6
325.03677	1.5
325.07040	4.7
327.08664	5.6
337.07117	6.6
363.08588	1.4
405.13162	1.1
423.14371	13.7
435.14301	6.2
441.15427	14.8
451.14011	2.2
453.15527	8.6
465.15576	7.2
543.23462	4.0
561.24792	37.7
578.24396	1.2
579.25824	63.1
580.26324	1.2
585.24701	1.5
661.46112	1.3
705.76575	1.1
827.39392	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17411	1.1
62.16485	1.5
65.03918	1.7
67.05496	6.3
68.99797	1.4
69.03429	10.3
69.07066	2.3
71.04963	1.8
71.58437	2.8
71.74426	1.1
72.70181	1.2
73.02893	1.5
77.62069	1.1
79.05479	6.1
81.03414	11.0
81.07043	5.8
85.02898	13.3
86.09679	1.4
87.00831	6.9
91.05491	10.8
92.94376	1.3
93.07030	7.4
95.04920	2.3
95.08587	4.3
95.42140	1.3
97.02896	6.8
97.83134	1.3
99.04459	4.7
105.01830	2.4
105.07023	8.7
107.04955	2.8
107.08581	4.5
108.06129	1.1
109.02888	7.0
109.10145	2.7
117.01855	1.4
117.07053	2.0
119.08584	6.6
121.02860	28.3
121.10127	2.3
127.03902	10.5
131.08525	2.8
133.10110	4.6
137.02325	2.5
145.04970	3.0
145.10117	3.2
147.04443	2.2
147.11687	2.1
149.02333	1.4
153.01826	2.4
159.02884	5.1
163.03917	1.7
165.01830	3.1
173.06030	1.5
183.02914	3.0
197.05991	1.5
201.05420	2.0
229.04958	2.1
241.04776	1.4
243.06599	3.7
257.19022	1.4
275.20020	3.7
287.05493	9.3
299.05487	95.0
311.05563	1.8
313.07053	2.2
315.05051	2.8
316.05371	2.9
323.05502	3.8
325.07025	3.5
339.08704	2.0
343.07910	2.9
349.07080	1.7
350.07880	1.8
351.08536	4.1
353.10184	6.1
363.08615	12.0
364.09332	5.9
377.10031	3.7
379.11761	2.3
389.09854	1.9
391.11627	1.4
403.11810	3.0
417.13101	2.8
543.23718	25.0
559.23389	1.4
561.24780	100.0
562.24976	2.6
577.24963	2.2
578.24554	3.4
579.24866	6.4
827.39996	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.6
65.03931	1.4
67.05500	7.0
68.99796	1.8
69.03425	10.1
69.07056	2.2
70.71342	0.6
71.01339	0.9
71.04984	1.8
71.58427	0.7
73.02915	1.6
79.05489	6.9
81.03417	12.5
81.07043	3.6
83.04967	0.9
83.08600	1.4
85.02903	12.2
87.00349	0.9
87.00832	7.2
91.05483	7.4
93.07047	5.2
94.07418	0.6
95.04945	1.9
95.08597	3.7
97.02878	6.0
97.10144	0.9
99.04453	3.2
105.01852	3.9
105.07023	7.0
107.04929	1.5
107.08587	6.9
109.02882	8.5
109.06507	1.1
109.10156	1.6
111.04438	0.8
117.01856	1.2
117.07010	1.7
119.04974	0.7
119.08570	3.3
121.02864	27.6
121.10135	2.3
125.09612	1.5
127.03919	10.4
129.01828	1.1
129.07008	1.4
131.08563	2.3
133.10132	2.6
137.02356	1.1
139.80209	0.6
145.04927	2.8
145.10104	2.9
147.02872	0.7
147.04405	2.3
147.11671	1.4
159.02869	5.3
159.11644	1.1
161.05984	0.7
161.13321	0.9
163.03897	1.2
165.01837	3.3
167.03455	0.8
175.03922	1.3
179.03352	0.9
183.02866	3.7
185.06088	0.7
189.11263	1.4
197.05951	1.9
201.05489	1.6
203.07013	1.0
215.07039	1.1
225.05585	1.2
229.04828	1.5
231.04939	1.0
239.71240	0.6
243.06483	4.7
257.18958	1.3
267.06476	1.1
271.06015	1.7
275.20071	10.9
283.06094	4.0
286.04764	1.3
287.05496	13.3
293.21027	0.6
295.05969	1.1
299.05490	100.0
300.05957	2.2
309.07553	1.2
311.05447	5.1
311.08649	0.9
313.06989	3.7
315.04980	2.7
316.05460	3.9
317.05331	0.8
323.05472	14.5
324.06070	1.8
325.06989	3.8
327.08655	0.8
329.06308	0.8
337.07031	4.0
338.07620	0.6
339.08749	1.5
343.08044	4.6
344.08423	4.0
345.08691	1.7
349.06992	1.0
351.08539	2.3
353.10214	6.6
355.08063	0.8
361.14575	0.8
363.08591	4.6
375.08582	0.7
377.10150	1.1
389.10123	1.1
401.10342	0.7
405.13217	2.3
407.14737	2.5
417.13419	1.4
419.14719	1.2
423.14447	1.4
431.14868	0.8
435.14398	12.5
441.15466	19.0
453.15436	26.6
471.16522	24.2
471.23300	0.8
472.16461	0.8
491.16949	0.6
543.23712	15.1
561.24829	30.8
562.24908	1.0
579.16583	1.1
579.25793	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02881	1.5
65.03911	1.0
67.05502	5.0
68.99782	2.0
69.03423	8.8
69.07056	2.3
70.60525	0.7
70.60882	1.3
71.04961	1.2
73.02863	1.5
77.03884	0.4
79.05488	4.9
81.03415	10.9
81.03864	0.4
81.07050	3.9
83.04942	0.5
83.08565	0.7
85.02899	11.6
87.00819	6.0
91.05478	6.2
93.07035	4.0
95.04927	1.4
95.08598	3.2
97.02879	4.9
97.06477	0.5
99.04405	1.9
105.01860	2.8
105.07028	6.7
107.01260	0.4
107.04909	0.4
107.08564	2.1
109.02873	7.4
109.10123	1.5
111.04374	0.5
115.05435	1.0
117.01803	1.3
117.07006	2.6
119.08566	4.5
120.60203	0.4
121.02798	1.2
121.06461	0.7
121.10085	1.4
123.04355	1.1
127.03917	9.4
129.01802	0.7
129.06929	1.5
131.04906	0.7
131.08562	3.6
133.10133	3.0
137.02336	25.5
137.03392	1.5
141.01717	0.5
141.06956	0.7
143.08527	0.5
145.04936	2.0
145.10120	2.6
147.02826	0.6
147.04329	0.6
147.11630	1.7
149.02263	1.1
151.03882	0.7
153.01805	2.7
154.41988	0.4
157.10043	0.4
159.02908	3.2
159.04036	0.6
159.11627	1.5
161.06015	0.6
163.03888	2.2
165.01895	2.6
165.03058	0.6
169.01732	0.5
171.04395	0.7
171.11653	0.5
173.05885	0.4
173.13179	0.6
175.14809	0.4
177.01721	0.7
179.03372	0.6
181.06557	0.5
183.02876	3.0
185.05913	1.1
187.03835	1.0
189.05409	2.3
191.03349	0.7
197.05948	0.5
198.06686	0.6
199.03827	0.5
202.49966	0.4
203.03415	0.5
203.06996	0.5
204.35950	0.4
211.03773	0.5
213.03650	0.5
213.05516	2.2
215.07101	0.5
217.04901	1.6
221.24899	0.4
225.05464	0.7
227.06950	0.5
229.04906	1.2
229.19470	0.7
231.04785	0.9
239.06827	0.5
241.05008	2.0
243.06465	1.0
245.04475	2.1
249.18338	0.8
255.06517	0.6
257.18921	1.6
259.05969	0.9
269.04306	1.0
271.09732	0.6
273.03836	0.9
275.20065	2.5
283.05930	0.5
287.05389	1.7
299.05414	1.6
302.04141	1.2
303.04990	6.7
311.05527	0.5
313.98840	0.4
315.04956	89.1
316.05240	2.6
325.06876	0.5
326.04263	0.5
327.05093	3.1
329.06464	3.5
337.07230	1.0
339.04932	3.2
339.08640	0.9
340.05914	0.7
341.06500	3.5
343.08191	2.8
349.14383	0.5
351.08548	1.3
353.06464	2.5
353.10101	0.5
355.07913	0.6
357.05820	0.7
357.09866	0.5
363.08478	0.7
365.06339	2.0
365.10385	0.7
366.07239	0.8
367.08066	3.4
369.09671	11.2
377.06482	1.7
377.10663	0.5
378.07181	0.5
379.08133	9.0
380.08759	1.5
381.05685	0.5
381.09824	3.5
391.07666	1.9
392.09000	0.7
393.09637	6.9
394.10394	2.2
395.11267	4.7
403.08032	0.6
405.09564	1.6
407.11420	3.2
419.11264	2.8
421.12717	2.4
433.13034	2.2
435.14639	0.8
447.14413	1.2
503.16885	0.9
531.23846	1.5
541.22314	0.9
559.23199	32.5
560.23505	1.6
577.24286	100.0
578.24713	6.3
601.24164	0.7
619.25574	0.6
643.25171	0.7
667.25073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.0
67.05502	7.1
68.99789	2.6
69.03438	8.7
69.07067	3.2
71.01338	1.0
71.04986	1.0
71.57859	2.0
71.85798	0.9
73.02885	1.1
78.47967	1.0
79.05476	7.2
81.03419	12.5
81.07048	7.5
82.00764	1.1
83.08597	1.5
85.02905	12.5
85.06553	1.1
87.00838	5.3
91.05476	10.2
91.06031	1.5
93.07052	6.4
95.04941	2.0
95.08602	4.4
97.02882	3.9
97.06590	1.2
99.04466	3.6
105.01856	4.2
105.07027	8.6
107.04932	1.4
107.08582	5.0
109.02888	9.5
109.10141	1.3
117.07000	2.4
119.08612	6.4
121.02872	2.1
121.10150	1.6
122.48605	1.1
127.03899	10.2
129.06958	1.7
131.08582	3.0
133.10124	5.8
135.04425	1.8
135.11691	1.4
137.02348	14.7
141.01820	3.8
143.08624	1.1
145.04971	3.3
145.10120	2.6
147.04395	1.1
147.11646	1.6
149.05907	1.8
153.01817	1.7
159.02904	2.5
159.11681	1.4
163.03888	7.0
164.80780	1.1
165.01830	3.3
171.11760	1.2
179.03308	1.4
183.02893	4.2
185.05974	1.4
185.11987	1.2
217.04991	2.6
241.04956	3.0
245.04585	1.2
257.19034	2.2
273.03940	2.1
275.19998	3.2
276.20828	10.4
285.03745	1.6
301.03467	4.6
302.04150	2.2
303.05048	6.4
311.05276	1.4
313.03497	1.4
315.04965	100.0
316.05386	2.4
327.05139	2.4
329.06549	5.5
339.04913	3.2
341.06528	13.6
343.08102	65.4
344.08490	2.6
353.06561	2.1
355.08084	3.3
357.09875	1.3
365.06567	1.5
367.08102	3.4
369.09854	5.4
373.91129	1.2
379.08203	6.7
381.09732	1.9
391.07861	1.8
393.09653	3.0
405.09219	1.6
407.11166	2.9
419.11340	2.3
421.12363	1.4
433.12778	4.5
483.16397	2.1
495.16388	1.8
533.09509	1.3
541.21906	3.1
559.23224	27.4
577.24292	66.6
578.24426	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	1.8
65.03954	1.1
67.05496	10.7
68.99765	1.8
69.03424	8.2
69.07054	4.4
70.03530	2.6
70.03950	2.3
71.04967	2.7
73.02893	2.0
79.05492	9.9
81.03412	14.8
81.07057	8.6
83.04963	1.3
83.08636	1.3
83.12345	1.1
84.27714	1.1
84.56213	0.9
85.02898	11.5
87.00811	5.9
91.05476	17.5
93.07044	7.4
95.04950	2.5
95.08624	6.2
97.02903	7.4
97.06502	1.2
99.04451	2.4
103.05449	1.4
105.01875	3.2
105.07027	15.6
107.04921	0.9
107.08578	3.9
109.02881	11.8
109.06484	1.2
109.10149	1.8
115.05441	1.7
117.07016	4.0
119.01860	0.9
119.08562	8.1
121.02853	3.5
121.06491	1.3
121.10141	1.8
127.03905	10.6
128.06192	0.9
129.01843	1.1
129.07018	2.2
131.08609	5.6
131.09395	1.0
133.06435	1.0
133.10159	5.6
135.04439	1.0
137.02333	22.1
137.03401	1.4
141.06979	1.8
143.08510	2.1
144.05724	1.7
145.04926	3.5
145.06522	1.3
145.10126	5.1
147.02879	1.3
147.04404	1.0
147.11678	2.4
149.06010	1.4
153.01851	5.1
155.08522	1.6
157.06445	1.4
157.10143	1.6
159.02899	4.3
159.07988	1.5
159.11717	1.4
161.13309	1.6
163.03903	4.3
165.01881	5.2
171.08040	1.9
173.09621	4.2
173.13315	1.1
185.05946	2.2
187.04008	1.3
187.07567	2.8
189.05501	2.8
191.03346	2.1
193.04884	1.3
197.05980	1.7
201.05295	1.2
203.03387	1.4
209.09589	1.2
211.07590	1.4
211.11179	1.2
213.05534	2.2
217.04970	3.2
217.08496	1.5
225.09242	2.3
227.10649	1.4
229.04973	3.1
231.11954	1.0
239.10712	2.0
241.04919	1.8
245.04449	2.4
259.05936	1.7
267.06561	1.2
271.06232	1.2
273.03815	4.7
275.20078	10.3
276.20819	5.2
277.16092	1.1
285.03922	1.3
285.18161	1.1
287.05515	18.8
295.16879	2.9
299.05487	1.8
301.03470	2.8
303.04922	16.4
305.15311	1.5
313.03345	1.7
313.06833	1.3
313.18057	2.7
315.04971	60.0
320.10437	1.1
323.16434	5.4
327.05042	2.6
327.08627	1.4
329.06595	5.6
339.04929	3.2
339.08673	1.1
341.06522	17.4
341.10355	1.9
341.17438	18.5
343.08099	36.6
353.06439	5.4
355.08032	13.1
359.18619	4.8
365.06573	2.3
367.07990	7.6
369.09756	7.5
377.19427	1.8
379.08109	3.6
380.08862	1.7
381.09525	1.1
393.09601	2.8
395.11206	1.6
405.09283	2.3
407.11029	1.6
419.11581	2.1
421.12860	1.3
433.12833	1.7
541.22894	1.6
559.23090	34.7
577.24280	100.0
578.24817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	2.2
67.05481	1.8
69.03419	1.4
69.07053	1.1
69.27619	5.2
69.27912	0.5
70.06583	0.8
75.04476	1.6
78.04714	1.3
79.05494	3.7
81.03405	1.7
81.07070	0.8
82.04192	0.5
85.02893	4.0
86.09718	0.5
89.03899	0.5
91.05485	7.2
93.03406	5.5
93.07035	2.0
95.04951	4.3
95.08591	0.5
97.02876	0.9
97.06533	1.3
103.05471	8.5
105.03416	1.2
105.07024	4.2
106.04173	9.1
107.04951	5.3
109.02888	0.7
109.06506	1.4
109.10059	0.6
110.03652	0.8
111.04444	0.8
111.46096	0.4
115.05448	3.2
117.03373	0.7
117.07010	2.2
118.04154	2.0
119.04906	0.9
119.08549	0.6
121.06499	10.7
122.03664	0.7
123.04407	1.9
124.05195	1.4
125.05984	5.8
127.03876	1.1
129.07010	1.0
129.53105	0.5
131.04926	9.4
133.02844	0.9
133.06488	4.3
134.03632	2.0
135.04414	1.1
135.08040	0.7
137.05974	3.0
138.03200	0.5
138.06781	0.9
139.07561	1.1
142.02629	0.6
144.05679	1.0
145.02917	1.0
145.06470	4.0
146.03546	0.7
147.04385	0.6
147.08009	1.0
148.05170	5.8
149.05981	18.9
151.03879	1.6
151.07516	1.3
152.04697	0.8
153.05484	1.8
153.09099	6.4
157.06456	1.3
159.04456	0.7
159.08009	0.6
161.06003	4.9
163.03912	1.4
163.07542	9.1
166.06197	0.6
167.07045	27.5
171.06531	1.7
173.05965	3.5
174.06723	0.7
175.07550	1.9
176.04619	1.1
177.05464	14.8
179.07047	0.7
180.08708	0.6
181.04965	38.2
181.08554	13.3
183.06418	0.5
187.07506	1.6
190.06290	1.1
191.07030	44.0
192.07486	0.9
193.08557	3.0
195.06473	2.9
201.05476	1.1
203.07080	1.6
205.08630	3.2
207.06525	1.3
207.10165	1.1
209.08089	100.0
210.08437	1.5
217.08571	1.3
217.11995	0.6
219.08214	0.8
219.10136	3.4
221.08127	0.8
225.07567	1.3
233.08069	2.8
233.10161	0.5
235.07533	0.9
235.09641	3.9
243.10126	0.5
245.08069	1.3
246.06619	0.5
263.07040	0.7
263.09152	15.7
267.10172	1.3
280.07254	0.5
295.09528	0.6
297.11194	0.8
307.09595	0.6
313.10641	0.7
325.10785	1.7
327.12329	0.6
337.10580	0.7
339.12198	1.3
357.13312	3.3
359.14929	0.8
367.11743	1.3
369.13440	1.1
371.14731	1.1
385.12851	6.2
387.14374	1.0
399.14383	2.7
417.15399	18.3
609.23193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.7
66.04718	0.5
67.05494	2.0
69.03413	1.9
69.07054	0.6
70.02299	1.4
70.02688	1.0
70.06568	1.3
71.01316	0.5
71.04969	0.6
75.04460	1.8
77.03918	0.9
78.04716	2.5
79.05496	4.4
81.03423	2.9
81.07037	0.7
82.04223	0.8
83.04977	0.5
84.08115	0.8
85.02914	5.5
89.03905	1.1
89.06022	1.2
91.05482	9.4
93.03399	7.6
93.07027	3.4
94.04176	0.5
95.04970	6.3
95.08593	0.6
97.02874	1.5
97.06516	2.3
98.21436	0.5
99.04445	0.6
103.05467	14.3
105.03374	1.7
105.04494	0.8
105.07021	6.3
106.04171	13.6
107.04945	8.4
109.02885	1.1
109.06490	1.2
109.10185	0.6
110.03629	1.8
111.04437	2.0
114.24689	0.4
115.05453	3.9
117.03420	1.1
117.07021	4.1
118.04157	3.0
119.04908	2.3
119.08577	0.7
121.02880	0.7
121.06499	19.1
121.07378	1.0
123.04405	3.3
124.05186	1.6
125.05996	6.7
127.03910	1.1
128.06242	0.8
129.06950	1.3
130.04131	1.1
131.04919	14.4
131.08562	1.1
132.05707	1.1
133.02840	1.4
133.06480	7.7
134.03639	2.7
135.04410	2.1
135.08040	1.5
137.05986	3.2
138.03041	1.2
138.06760	0.6
139.07529	1.7
141.06955	0.8
142.02588	1.1
143.04926	1.2
144.05652	1.4
144.06651	0.6
145.02821	1.2
145.04947	0.8
145.06476	4.9
146.03558	0.6
147.04398	1.5
147.08051	1.8
148.05190	7.9
149.05980	28.4
151.03958	2.4
151.07532	2.8
152.04698	1.5
153.05438	3.7
153.09088	8.4
155.06017	0.6
157.06480	1.1
159.04472	0.7
159.08005	1.5
160.05186	1.1
161.05974	6.2
162.07680	0.9
163.03897	2.0
163.07544	16.8
163.83560	0.5
165.05472	1.3
165.09192	0.8
166.06264	1.0
167.07031	41.2
171.06508	2.8
173.05975	5.2
174.06773	1.0
175.07558	2.2
176.04655	1.6
177.05463	19.2
177.09018	1.1
178.06288	0.6
179.07004	1.0
181.04953	50.9
181.08546	15.4
185.05936	0.6
187.07539	2.0
189.09215	0.7
190.06158	1.4
191.07019	56.8
192.07631	1.4
193.05016	0.9
193.08598	3.5
195.06519	2.4
201.05486	1.4
201.09116	0.6
203.06978	2.1
205.08569	3.3
207.06554	1.4
207.08292	0.8
207.10110	2.1
209.08081	100.0
210.08481	1.3
217.08615	1.6
219.06390	1.1
219.10094	4.2
221.08058	0.6
225.07578	0.6
229.08569	0.7
233.08003	2.7
235.07657	0.8
235.09625	4.4
237.09079	0.5
245.08131	1.4
253.74707	0.6
263.06564	1.1
263.09161	16.3
265.08432	0.7
267.10193	1.8
278.09427	0.8
279.10104	0.7
293.07947	0.8
295.09641	0.7
297.11246	1.3
307.09729	1.2
309.07712	0.6
309.11166	0.5
325.10641	1.8
339.12360	0.9
355.11411	0.6
357.13321	4.7
367.11807	1.0
369.13330	0.9
371.14917	0.7
381.13330	0.8
385.12741	7.3
387.14383	1.0
389.16071	0.7
399.14413	3.2
417.15424	17.0
418.15891	0.6
577.20654	0.6
609.22705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	72.3
67.05187	1.8
67.05508	30.5
69.03425	32.6
69.07059	13.3
69.76418	5.3
69.76829	6.0
71.01340	5.4
71.04980	4.5
71.08602	2.4
73.02914	24.0
79.05487	12.5
81.03413	19.1
81.07055	37.1
83.04977	3.6
83.08613	7.9
85.02903	100.0
85.06546	2.7
87.04455	3.6
91.03952	47.9
91.05470	10.2
93.07044	12.1
95.04960	4.8
95.08618	30.2
97.02885	66.4
97.06506	3.0
97.10138	5.2
98.20828	2.5
99.00770	2.4
99.04453	13.2
101.02369	5.0
103.03917	10.7
105.07008	6.5
107.08596	7.5
109.02856	12.5
109.10154	11.5
111.04481	4.0
115.03921	5.8
117.05505	2.5
119.08568	8.6
121.10146	7.7
123.04453	2.7
123.11706	7.6
127.03920	37.2
129.05472	6.2
131.08582	4.8
133.10130	6.8
135.11714	5.8
137.13228	2.7
145.04956	33.1
147.11604	3.6
149.13249	3.7
151.14793	2.4
161.13243	5.2
163.06010	20.9
163.11188	2.2
163.14832	3.6
171.06482	3.8
174.91722	2.1
175.14767	3.9
183.06551	12.5
189.16383	2.1
201.07570	7.6
245.22583	5.1
261.22287	2.3
263.23788	12.1
267.21024	2.2
305.24567	4.2
317.24652	2.8
329.24658	3.1
337.27371	66.3
347.25836	2.6
351.64774	1.8
353.24658	4.1
365.26547	3.4
371.25540	5.5
389.27045	3.3
407.28125	2.3
445.29495	7.0
463.30469	5.6
471.62424	2.0
473.90350	2.0
481.31641	9.5
499.32623	3.0
679.19379	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	20.6
57.07071	2.7
61.02925	67.4
67.05499	30.9
69.03082	2.4
69.03424	26.0
69.07058	8.6
69.56974	15.9
71.01353	4.6
71.04984	2.6
73.02915	20.7
75.04449	2.1
79.05485	19.3
81.03426	25.6
81.07053	30.1
83.04958	4.5
83.08599	4.4
85.02901	100.0
87.04440	2.9
91.03951	53.2
91.05477	13.7
93.07036	24.4
95.04956	6.6
95.08609	26.4
97.02888	71.3
97.03519	3.6
97.06502	3.5
99.04444	12.0
101.02398	4.2
103.03925	6.3
105.07008	11.6
107.08567	16.9
109.02890	13.0
109.10159	11.3
111.04408	3.4
115.03944	5.5
117.05461	2.1
117.06979	4.4
119.08564	8.2
121.10130	14.7
123.11680	5.8
126.26167	2.0
127.03916	41.0
129.05461	6.1
129.06917	2.7
131.08566	11.5
133.10112	7.1
135.07994	2.2
135.11649	7.9
137.05984	2.4
137.85797	2.1
143.08580	2.1
145.04944	29.5
145.10091	7.2
147.11685	7.9
149.13248	5.6
155.08618	2.1
157.10054	3.1
159.06520	2.8
159.11674	7.1
161.13264	3.8
163.06065	15.2
163.14842	3.8
171.06557	2.5
171.11758	2.6
173.13277	8.4
175.11061	2.0
175.14711	3.6
183.06534	8.3
187.14799	2.9
201.07602	7.6
219.08823	2.6
225.60951	2.1
243.21095	5.3
261.22098	15.3
301.21664	2.2
303.23148	3.3
317.24640	2.1
323.91360	2.0
327.23318	3.0
335.25784	54.5
369.24078	3.1
377.26703	2.9
387.25372	2.7
405.26288	2.6
461.28696	3.7
471.16141	2.0
479.30093	9.4
800.04065	2.4
822.37323	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03396	0.3
61.02904	0.5
65.03912	0.4
67.05460	0.4
69.03388	0.8
70.06557	0.6
71.46460	0.7
71.99326	0.3
73.74567	0.3
81.03403	1.4
83.04943	0.5
85.02908	2.3
88.62960	0.3
91.05458	0.4
97.02828	0.9
109.02830	0.4
111.96359	0.3
121.02824	0.8
123.04348	0.3
127.03867	0.7
135.04362	0.3
137.02333	11.4
137.03400	0.7
147.04346	1.1
153.01746	0.5
161.02304	0.8
161.05925	1.0
163.03874	1.2
175.03819	1.0
187.03777	0.9
187.63213	0.3
189.05400	0.3
191.03294	0.5
191.08138	0.7
197.02251	0.4
199.03925	0.7
203.03375	10.4
207.02876	2.9
207.07956	0.4
213.05409	0.4
215.03395	2.2
219.02832	0.6
223.03737	0.4
225.01768	1.5
227.03311	1.4
235.07532	0.4
239.03452	0.6
241.01283	0.8
243.02869	6.9
261.03955	0.8
263.06985	1.4
269.04404	0.4
271.02386	1.6
273.05551	0.6
281.07999	0.6
285.03888	0.4
287.05264	1.9
289.03412	4.1
291.06528	2.8
301.04852	0.7
309.07489	0.8
319.06000	2.9
325.13940	0.5
330.26532	0.6
337.07025	1.1
347.05438	3.1
349.06970	0.5
363.08633	0.8
365.06442	2.9
375.05164	1.4
376.05716	0.6
377.06219	0.4
389.06375	2.7
391.08157	0.4
392.05164	0.6
393.06006	34.7
394.06482	1.2
403.04388	0.7
417.06079	0.4
419.07584	8.6
421.05496	100.0
422.05865	2.9
435.06979	0.5
445.05511	6.0
463.06552	47.0
464.07065	1.8
464.13058	0.3
481.07568	2.9
818.63983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
61.02917	1.0
65.03938	0.9
67.05504	5.0
68.99792	1.4
69.03430	5.7
69.07050	2.3
71.04977	1.0
71.58189	1.0
73.02901	1.1
78.60317	0.5
79.05495	5.2
81.03419	7.2
81.07048	4.7
82.56733	0.5
83.04977	0.6
83.08617	0.6
85.02892	7.5
87.00836	2.9
90.58875	0.7
91.05483	4.9
92.09818	0.5
93.07021	4.2
95.04951	2.2
95.08594	3.1
97.02899	3.4
99.04441	1.7
105.01871	1.9
105.03419	0.9
105.07031	4.0
107.04950	1.2
107.08597	3.5
109.02886	6.5
109.10166	1.0
111.04434	0.7
117.01804	0.6
117.07008	1.1
119.04898	0.6
119.08546	3.1
121.02859	11.0
121.10120	1.7
127.03906	8.2
129.01804	0.7
131.08548	1.9
133.06465	0.8
133.10124	1.9
135.04436	0.9
135.11731	0.6
141.01807	2.5
143.08585	1.1
145.04950	2.1
145.10071	1.1
147.02788	0.7
147.04425	1.6
149.09552	0.8
157.06537	0.6
157.10081	0.6
159.02876	3.1
159.11679	1.0
161.13191	0.6
163.03877	1.7
165.01826	0.6
169.06352	0.8
173.06044	0.6
183.02826	2.5
187.03979	0.7
187.07826	0.6
189.05377	0.7
197.06091	1.1
212.04665	0.5
221.15291	0.7
225.05447	0.6
231.05046	0.8
231.17003	0.5
243.06459	1.4
245.04584	0.6
257.18900	1.0
269.85284	0.6
271.05994	1.3
275.20071	1.3
283.05896	1.0
286.04761	1.6
287.05533	4.2
297.07471	0.9
299.05493	76.2
300.05835	1.8
311.05383	1.7
311.08978	1.1
313.07104	4.9
323.05521	2.1
324.06204	0.7
325.07108	4.0
327.08612	100.0
328.08942	2.5
337.07236	1.0
339.08707	4.3
341.10104	1.3
343.18976	2.2
351.08511	2.0
353.10156	5.2
361.20193	1.1
363.08557	2.4
365.10095	2.1
377.10019	2.1
378.10748	0.7
379.11703	1.8
379.20999	1.3
391.11639	3.1
393.33618	0.7
403.11636	1.6
405.13260	1.3
467.16992	2.2
473.65158	0.6
515.24817	0.6
525.22803	1.0
543.23846	12.6
561.24792	38.2
562.25372	1.4
568.09131	0.6
643.22662	0.6
809.36475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
61.02919	0.9
65.03933	1.7
67.05503	4.8
68.99786	1.9
69.03424	9.6
69.07060	1.3
70.18623	3.5
71.04964	1.4
73.02917	1.6
74.12234	0.7
79.05487	4.7
81.03415	10.4
81.07042	4.9
85.02897	11.3
86.96904	0.9
87.00838	4.7
91.05473	8.3
93.07030	5.0
95.04964	2.1
95.08603	2.8
97.02875	3.4
99.04442	3.5
105.01839	2.8
105.07023	5.9
107.08569	1.8
109.02863	6.2
109.10119	1.5
116.30753	0.8
117.01890	1.0
117.07001	2.9
119.08601	5.3
121.02858	33.4
121.10149	1.0
127.03912	10.9
128.06195	0.8
129.06998	1.1
131.08542	3.9
133.10088	2.7
143.08591	0.9
145.04877	2.7
145.10104	3.5
147.04407	2.2
147.11659	1.1
159.02873	3.6
159.07957	1.2
159.11687	1.0
161.05965	1.1
163.03879	1.8
165.01759	1.9
173.05948	2.0
183.02914	2.2
189.14462	0.9
197.05879	1.1
201.05438	1.6
229.04919	4.7
231.04861	1.1
243.06502	2.7
257.19049	1.7
265.05042	0.9
275.20197	2.1
286.04672	1.6
287.05469	7.5
299.05481	93.7
300.05847	1.6
307.06104	1.1
311.05518	2.7
313.07050	3.5
321.07327	1.4
323.05463	3.1
325.07065	3.2
327.08673	4.4
335.09082	1.8
337.06897	3.4
339.08630	1.5
344.06036	0.9
349.06888	1.2
351.08548	3.4
353.10248	4.2
361.07114	1.5
363.08572	8.5
364.09378	2.5
365.10275	1.3
375.08350	2.4
377.10080	3.5
378.10669	1.5
379.11688	2.5
389.10117	2.1
391.11725	3.6
401.09912	1.4
403.11707	3.8
405.13278	0.9
417.12946	2.3
449.15933	1.3
515.24426	1.9
543.23743	37.3
544.24091	2.2
561.24811	100.0
562.24921	4.0
585.23657	1.2
603.25079	1.2
627.26166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.0
61.02917	1.1
65.03934	2.1
67.05502	7.4
68.99786	1.9
69.03423	8.2
69.07059	2.4
69.80315	4.2
71.04975	1.6
73.02891	1.2
79.05496	5.8
81.03414	9.7
81.07062	7.3
83.04987	0.9
85.02898	10.7
87.00819	5.8
91.05486	9.7
93.07050	5.5
95.04967	2.0
95.08598	4.3
97.02866	4.4
99.04465	2.8
103.05489	0.7
105.01864	3.0
105.03388	0.8
105.07014	8.7
107.04919	1.7
107.08596	3.1
108.22318	0.7
109.02861	6.0
109.06516	0.6
109.10166	1.7
111.04487	1.2
117.01870	0.9
117.07027	3.5
119.08596	4.9
121.02856	30.4
121.10173	1.7
123.04430	0.7
127.03918	9.9
129.01814	0.8
129.07030	1.5
131.08582	3.2
133.10117	3.1
143.08572	1.1
144.24886	0.7
145.04994	2.3
145.06496	1.5
145.10092	3.3
147.04405	2.5
147.11661	2.1
153.01823	4.5
157.10129	1.4
159.02878	3.5
159.04294	0.7
159.08110	0.8
159.11658	1.5
163.03888	1.4
165.01846	2.0
167.03391	0.7
171.04498	0.7
173.06065	1.6
177.05516	1.0
181.04930	0.7
183.02959	2.2
185.06059	0.9
191.03397	1.5
193.04970	1.5
197.06007	1.6
201.05479	1.6
203.03362	1.4
204.61560	0.7
213.05516	1.1
215.07117	0.8
225.05496	0.9
225.08992	1.0
229.04895	3.4
231.04955	1.0
243.06551	4.5
248.54558	0.7
257.04413	0.7
257.19043	2.0
269.08005	0.9
271.06088	1.9
275.20090	3.1
279.06235	1.2
283.06085	1.7
286.04764	1.6
287.05493	6.6
297.07736	0.9
299.05478	65.9
300.05942	1.3
307.09537	1.2
309.07806	0.8
311.05521	3.3
311.08975	1.2
313.07040	3.9
323.05460	4.2
324.06396	1.9
325.07074	4.6
327.08621	40.0
335.09012	0.9
337.07034	10.0
337.10672	1.3
339.08643	4.6
341.10352	2.5
348.09857	0.8
349.07050	2.2
350.07690	0.9
351.08765	7.2
352.09320	1.4
353.10153	11.5
361.07053	1.2
363.08649	7.7
364.09235	1.6
365.10168	3.4
375.08646	1.4
377.10052	4.9
378.10712	1.6
379.11700	3.5
389.10266	1.7
391.11780	2.0
403.11768	2.2
405.13498	1.8
417.13406	2.5
431.14896	1.4
467.17136	1.0
504.08386	0.8
515.24426	1.2
525.22382	1.1
543.23761	34.3
561.24799	100.0
562.24994	2.2
669.26495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.0
61.02919	1.0
64.71582	0.8
65.03936	6.2
67.05498	2.7
69.03421	3.7
70.06588	2.0
71.12541	1.8
73.02901	0.9
78.04704	3.2
79.05488	3.2
81.03416	2.3
81.07047	1.7
82.04223	1.4
85.02905	8.3
86.09715	4.7
87.17024	0.8
91.05500	5.2
93.03397	1.4
93.07050	1.6
95.04970	3.8
97.02900	2.5
97.06529	2.3
99.04503	1.4
103.05473	2.9
104.10770	2.0
105.07033	2.3
106.04191	2.5
107.04955	5.0
108.02066	0.9
108.62656	0.9
109.02842	0.9
110.03651	3.3
111.04446	1.7
115.05448	8.7
117.07024	10.4
119.04922	1.5
119.08644	1.0
121.06522	3.2
123.04439	9.4
124.05280	3.9
124.99960	2.0
125.05972	2.8
127.05419	1.3
131.04903	3.7
133.06541	1.1
134.65157	1.1
135.04420	1.4
137.05980	4.2
138.03122	1.3
138.09081	0.9
140.04588	0.9
140.07976	0.9
142.02640	1.8
143.04968	1.4
144.05705	1.1
145.06482	15.9
147.04414	1.0
147.08047	2.3
148.05186	1.4
149.06006	3.7
151.03941	1.8
151.07530	1.4
152.04707	3.0
153.05498	1.1
155.06061	4.8
155.07109	1.3
160.05104	1.1
161.05971	2.7
163.03932	1.3
164.07010	0.8
165.05482	2.2
167.07045	100.0
168.07365	1.7
171.06532	5.5
173.06001	25.6
173.07538	1.3
174.06445	0.9
175.07542	2.6
177.05434	4.6
181.04961	79.9
182.05464	1.7
184.07329	7.7
185.07643	1.1
185.95738	0.8
190.06247	1.2
191.07053	2.5
193.08672	1.2
195.06487	1.6
201.05452	2.1
203.07004	5.5
205.08617	7.0
209.08063	5.2
217.08559	1.6
219.06522	2.8
221.05931	1.0
221.08061	1.9
231.06561	1.1
233.08070	9.3
234.08896	3.5
235.07504	1.3
235.09634	8.5
237.20799	0.8
249.05347	1.1
250.06195	1.2
251.07040	0.8
265.08682	1.9
271.09689	1.1
281.08231	1.0
283.09656	1.0
287.05646	1.8
293.07990	1.9
297.11078	1.9
299.09201	1.5
310.08197	1.6
311.08893	1.1
323.09348	1.1
325.10806	2.0
326.11496	1.2
329.13687	1.3
333.12250	0.8
337.10660	1.1
342.11127	1.0
353.10254	1.2
357.13351	10.4
385.12839	42.2
386.13406	2.1
387.14343	7.3
397.13007	4.3
399.14349	1.3
403.13959	4.5
409.05212	1.0
415.13876	6.7
416.14456	4.1
417.15503	15.8
577.19568	1.2
595.20844	1.3
625.22803	1.5
643.23840	44.8
644.24994	4.4
805.29010	7.4
806.29846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.6
57.03420	0.7
58.06587	0.5
59.46558	0.3
60.84551	0.3
61.02907	0.6
63.79367	0.3
65.03951	1.8
67.05504	3.1
69.03423	3.1
69.07060	1.3
70.06596	2.6
70.70085	0.3
70.70396	0.5
71.04973	0.8
72.08150	0.8
73.02907	0.5
74.06069	1.5
79.05464	1.0
81.03410	3.3
81.06639	0.4
81.07060	3.9
83.08624	0.7
84.08135	2.5
85.02412	0.5
85.02897	5.2
85.06493	0.3
87.04494	0.5
91.05480	12.2
93.07038	1.6
95.04950	0.5
95.08607	3.5
96.08098	0.6
97.02901	2.2
98.09670	1.6
99.04471	0.4
100.87083	0.3
103.55066	0.3
105.07028	0.7
107.08598	1.0
109.02858	2.1
109.06451	0.3
109.10156	1.4
117.85601	0.3
118.39285	0.3
119.04939	24.1
119.08624	0.4
123.11723	0.4
127.03915	1.1
133.10126	0.4
135.11691	0.4
147.04405	100.0
148.04749	1.3
151.48138	0.3
165.05423	1.8
222.22197	0.4
250.25304	15.5
252.23239	4.0
268.26334	11.4
269.26926	0.4
270.24332	0.6
276.23273	1.7
291.08606	2.7
294.24203	2.1
309.09763	1.1
312.25296	9.6
319.22748	0.4
330.26373	20.2
354.26389	0.4
366.12268	0.3
372.27582	0.9
503.18073	0.4
638.35388	5.2
654.37488	0.4
782.39178	1.0
800.40564	38.7
801.40643	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	1.2
57.03429	0.7
61.02911	0.6
65.03928	2.6
65.05540	0.3
65.41174	0.4
67.05495	3.8
69.03428	3.7
69.07059	2.4
70.06586	3.2
71.58350	0.8
72.08123	1.4
73.02912	0.5
74.06063	1.4
79.05473	1.8
81.03403	3.2
81.07046	4.6
83.08614	0.8
84.08132	2.5
85.02898	5.5
86.09693	1.2
87.04462	0.4
91.05479	16.7
93.07022	2.1
95.04979	0.9
95.08601	4.2
97.02887	2.6
97.06527	0.7
97.10130	0.7
98.09673	1.9
99.04396	0.6
104.10714	0.7
105.07032	0.8
107.08590	1.3
109.02878	1.7
109.06524	0.4
109.10150	1.6
110.09659	0.4
119.04939	30.2
120.05312	0.4
120.08068	0.5
121.02842	0.4
121.10125	1.2
123.11711	0.7
127.03906	1.6
131.08585	0.8
133.10167	0.7
135.11732	0.8
136.07651	0.5
137.05971	1.1
147.04404	100.0
148.04745	1.3
149.06007	0.9
150.14400	0.4
152.06946	0.5
159.11946	0.5
163.03925	1.1
163.11205	0.6
165.05489	1.1
167.06975	0.4
184.07378	1.1
189.09062	0.4
248.10466	0.5
248.23802	0.6
250.25279	18.3
252.23238	4.3
268.26346	14.2
276.23285	2.3
291.08597	1.1
294.24225	2.8
312.25302	11.6
330.26358	23.6
337.23801	0.7
354.26318	0.5
372.27646	1.1
638.35431	4.3
654.36804	0.5
705.04193	0.4
782.39374	0.6
800.40594	41.3
801.41223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	1.5
57.03434	16.8
57.07073	23.8
61.02924	56.1
62.69641	1.0
67.05495	8.2
69.03425	21.5
69.07070	4.7
71.01347	2.4
71.04977	3.1
71.08628	15.7
71.58759	1.5
73.02913	17.6
75.04469	1.0
76.82131	0.9
81.03417	21.1
81.07052	9.3
83.04984	2.7
83.08615	7.6
85.02901	81.0
85.10183	8.2
87.04469	2.2
91.03951	45.8
93.07072	1.3
95.04948	1.4
95.08598	14.7
97.02886	63.9
97.10159	4.4
99.04444	12.6
101.02361	5.5
103.03948	10.1
107.04803	0.9
108.35287	1.0
109.02862	12.7
109.06520	1.3
109.10137	6.6
111.04429	2.3
115.03944	6.1
117.05476	2.4
123.11686	4.0
127.03915	31.2
129.05475	3.4
135.66328	1.1
137.13272	1.5
141.05458	1.5
145.04951	25.8
155.07031	1.4
159.06511	2.8
163.06007	12.5
171.06549	2.1
183.06528	13.5
184.07320	1.2
201.07494	8.5
219.08682	2.7
221.22656	1.1
237.66304	1.1
237.78479	1.1
239.23671	14.1
257.24631	2.8
313.27341	100.0
314.27704	3.1
331.28510	1.9
341.26910	5.9
355.28439	5.0
365.26831	1.1
367.28320	1.3
383.27765	3.9
385.29626	1.5
397.29465	2.8
401.28940	1.3
421.29431	3.2
439.30585	3.1
457.31677	17.9
475.32617	3.2
588.05316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.55894	1.0
56.96543	1.1
57.03431	2.2
58.99966	0.9
61.02914	5.5
63.93753	0.9
67.05510	5.5
69.03431	3.0
69.89535	4.0
71.56633	1.0
73.02917	4.4
79.05520	2.5
81.03417	3.5
81.07064	5.6
85.02917	5.0
87.57227	1.0
91.03966	3.1
91.05485	2.3
91.50119	1.0
93.07041	4.0
95.04967	1.4
95.08624	2.8
97.02888	4.7
97.06546	1.2
101.02418	1.4
105.07050	2.2
107.08595	2.4
109.02965	1.2
109.10186	1.4
119.08537	1.7
121.10173	3.0
129.86990	1.0
131.08539	1.9
133.10184	1.7
147.11752	1.4
149.09683	2.0
157.10156	1.1
175.11322	1.4
203.07037	1.4
207.33980	1.1
243.08458	2.9
283.15259	4.2
284.70587	1.0
317.17789	2.3
335.18896	1.2
431.62427	1.5
482.96661	1.1
501.23108	10.9
519.29401	4.3
779.45496	100.0
780.46149	4.1
788.53442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2081
Annotation	Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01866	0.4
57.03414	0.6
61.02918	0.7
68.99795	0.6
69.03430	1.9
69.92519	1.1
71.04979	0.2
73.02899	0.2
81.03413	1.1
83.97668	0.2
85.02902	8.7
91.03916	0.3
91.23212	0.2
93.03379	0.2
97.02294	0.2
97.02890	2.8
99.04470	0.5
107.04907	0.2
109.02880	1.3
111.00809	0.9
121.02843	0.8
123.04385	0.3
127.03910	2.3
135.04422	0.2
137.02335	2.9
137.03394	0.3
143.50258	0.2
145.04955	2.0
149.02322	0.4
153.01822	2.9
159.19162	0.2
161.06007	0.3
163.03886	0.7
163.05997	0.3
165.01849	1.8
166.02629	0.2
173.05972	0.3
183.02895	0.8
187.03943	0.2
195.02922	0.4
201.05510	1.1
219.06451	0.2
227.50761	0.2
228.04234	0.2
229.04970	3.8
229.07034	0.3
247.05911	0.8
257.04471	2.6
274.04617	1.0
285.03888	1.1
303.04974	100.0
304.05258	1.7
315.05118	0.4
345.06088	0.6
465.10303	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.5
55.05509	45.8
57.03436	20.9
57.07080	3.3
59.04991	3.8
61.02922	3.2
65.03938	3.6
67.05505	100.0
69.03427	3.6
69.07066	17.0
71.04975	5.8
71.59132	2.5
79.05492	47.7
81.03403	5.6
81.07052	62.6
83.04977	6.7
83.08613	16.1
85.02901	16.4
85.06544	3.6
87.04463	8.1
91.05487	27.5
93.07031	39.6
95.04971	10.1
95.08603	42.6
97.02855	3.0
97.06522	5.1
97.10168	20.8
105.07021	17.3
107.04999	2.4
107.08576	30.9
109.06499	2.9
109.10154	47.2
111.08103	4.0
117.07016	9.6
119.08582	14.6
121.10148	19.7
121.63517	2.3
123.08144	3.0
123.11766	5.3
125.09615	23.9
129.07004	2.6
131.08551	11.8
133.10126	8.4
135.11702	10.8
139.11206	3.3
143.10672	4.1
145.10144	9.8
147.11635	6.7
148.25960	2.6
149.13321	5.0
157.10072	5.0
159.11684	6.0
161.13271	3.7
163.11128	5.1
163.14818	3.0
173.11734	12.0
173.13290	9.1
178.59169	2.4
187.14850	3.4
195.99445	2.6
199.13310	10.7
208.62276	2.8
209.11748	3.6
227.12794	6.8
229.14359	43.7
243.21222	3.8
261.22125	15.0
301.16422	23.2
317.24786	3.0
325.21631	2.4
335.25827	69.2
335.29877	3.8
363.25397	3.1
477.35764	8.1
489.35745	12.3
553.74548	2.7
561.37628	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.0
57.03438	17.6
57.07059	3.4
58.93414	2.8
65.03912	2.8
67.05503	67.3
69.03423	4.4
69.07064	14.6
71.04983	4.2
71.62054	2.0
72.99054	2.1
79.05487	50.5
81.03416	84.1
81.07056	65.9
83.04967	6.7
83.08630	20.6
88.41402	2.5
91.05477	32.9
93.06475	3.7
93.07043	50.0
95.04951	29.8
95.08596	47.8
95.29784	2.5
97.02879	3.0
97.06524	5.3
97.10161	8.5
105.07037	24.6
107.04940	10.7
107.08607	25.8
109.02871	2.3
109.06491	5.4
109.10160	21.4
110.22680	2.2
111.08066	7.4
113.44867	2.3
117.07021	7.9
119.08597	23.6
121.06499	3.9
121.10137	25.4
123.08051	4.5
123.11684	5.7
125.09631	5.7
129.06987	7.7
131.08551	18.3
133.06499	4.8
133.10066	15.6
135.11685	10.1
137.09605	3.3
142.07829	3.0
145.10103	10.1
147.08029	3.5
147.11707	15.4
149.09628	7.0
149.13274	7.0
157.10100	11.6
159.11661	7.0
161.13239	6.5
163.11163	3.1
163.14856	3.4
173.13269	7.8
175.11224	12.0
189.11287	5.5
193.12204	25.0
203.54224	2.4
211.13234	3.4
227.12766	7.5
229.39449	2.8
243.21092	5.9
261.22110	18.1
267.15909	100.0
301.25134	4.3
309.17007	2.8
317.24652	3.3
335.25797	78.4
435.27429	2.8
435.32779	3.9
453.33557	8.2
471.34836	5.5
527.37274	61.2
545.38361	36.0
569.37903	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
55.05499	6.2
59.05003	1.5
61.02915	1.9
67.05508	8.5
68.99776	2.1
69.03426	6.7
69.07063	15.0
71.04992	3.3
71.58396	1.3
71.58832	2.0
74.67240	1.4
79.05498	7.1
81.03416	6.7
81.07057	10.6
82.07358	2.0
83.04993	3.1
83.08616	2.8
85.02897	10.9
91.05470	7.8
93.07049	8.6
95.04972	4.6
95.08587	8.3
97.02893	2.6
97.06488	3.3
97.10173	3.7
101.19073	1.3
105.01836	1.7
105.07028	6.2
107.04970	3.4
107.08591	4.2
109.02901	2.0
109.06492	2.8
109.10143	5.9
113.00264	1.4
117.06981	1.8
119.08559	3.4
121.02798	1.9
121.10146	3.8
123.04465	2.5
123.08055	3.6
124.22204	1.7
125.09610	3.1
127.03912	6.3
131.08600	2.4
133.10069	2.2
135.04399	1.6
135.08000	2.2
137.02342	3.6
137.09596	2.3
137.51216	1.8
139.11082	1.9
141.61296	1.5
143.08521	2.5
145.10179	1.7
147.04434	1.9
147.11725	3.0
149.06038	2.4
150.25052	1.6
153.01822	100.0
157.10098	1.8
161.06018	2.9
163.03893	4.0
163.07487	2.5
169.10251	1.7
173.05978	2.5
181.06621	1.6
185.06001	2.1
187.03870	2.1
189.05598	1.8
193.12190	1.7
201.05351	1.7
203.03423	5.3
209.09525	2.2
211.07483	2.1
213.05367	2.5
215.03258	2.2
227.07008	2.5
229.04958	4.0
237.05305	1.9
241.04950	3.1
241.08604	1.8
245.04578	1.5
251.07091	2.3
253.04994	2.6
254.05540	1.9
255.06578	1.9
255.10156	3.8
265.04871	1.8
267.15778	1.6
269.04510	2.8
273.04013	2.5
277.65125	1.5
279.06589	1.6
282.05225	10.7
283.05978	11.3
283.09644	8.3
285.03979	2.6
285.12692	1.6
287.05560	2.4
293.04517	4.1
295.06125	3.3
299.05423	2.2
301.03452	1.8
303.04840	11.9
311.05429	5.3
313.03406	17.2
315.05103	7.3
321.04004	2.7
321.07431	2.0
323.05453	9.7
327.04950	5.1
335.05606	1.8
339.04953	14.4
345.07321	2.5
347.05554	2.3
349.07129	5.6
351.12073	3.4
353.06451	4.8
361.06992	3.3
362.07864	1.7
363.12286	2.3
375.08667	5.0
377.06018	2.3
377.10321	3.7
381.09659	20.0
391.11801	7.3
395.11365	2.4
409.12921	5.4
421.12634	8.8
423.21378	2.0
449.19766	2.7
481.14816	1.7
489.15405	4.6
507.16589	5.1
524.16461	1.7
527.10095	2.2
529.22156	2.3
543.09143	12.5
555.09167	21.1
557.21436	10.3
575.22766	24.3
593.23956	14.7
611.15021	5.7
611.24591	9.1
692.25500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2128
Annotation	Kaempferol 3-sophorotrioside
Peak:m/z	Relative Intensity
55.01859	0.3
55.69051	0.2
57.03418	0.7
58.44105	0.2
61.02916	0.9
68.99795	0.3
69.03439	2.1
69.82168	1.0
69.82596	0.5
71.04978	0.8
75.13336	0.2
81.03423	1.5
85.02902	8.8
87.04457	0.4
87.44636	0.2
91.03926	0.4
92.30382	0.2
94.67488	0.2
94.97709	0.2
97.02892	2.6
99.04462	0.4
109.02853	1.2
111.00782	0.4
121.02884	2.5
127.03919	1.8
133.02899	0.3
137.02338	0.8
145.05000	1.7
147.04352	0.4
153.01842	2.6
157.06573	0.3
165.01883	1.2
183.02869	0.4
185.05893	0.4
211.08989	0.3
213.05440	1.4
214.87961	0.2
217.42334	0.3
229.04942	0.4
231.06490	0.6
239.61603	0.2
241.04996	0.8
258.05222	0.9
259.06036	0.3
287.05493	100.0
288.05823	2.9
299.05209	0.3
303.04944	7.1
329.06528	0.6
353.06363	0.3
367.82330	0.2
431.09787	0.3
449.10791	11.5
450.11429	0.5
465.10110	0.9
470.53482	0.2
580.73718	0.3
582.52240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2122
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01861	0.2
55.05497	0.3
55.43031	0.2
57.03434	1.8
59.68011	0.1
61.02906	0.6
65.03918	0.2
67.05495	0.3
68.99790	0.4
69.03424	1.4
69.29327	0.4
69.29749	1.3
71.04987	8.3
73.02894	0.3
74.99600	0.1
75.04447	0.3
81.03406	1.0
81.07050	0.2
83.04954	0.5
85.02897	11.8
87.04461	0.4
91.03938	0.3
91.05410	0.2
92.62254	0.1
93.03377	0.2
93.07017	0.2
95.04949	0.6
97.02882	1.3
98.20727	0.3
98.97594	0.3
99.04424	0.4
103.05385	0.2
107.04909	0.7
109.02867	0.7
109.06480	0.2
109.10130	0.2
111.00765	0.7
111.04444	0.3
116.98605	0.3
121.02876	0.9
121.10112	0.3
123.04401	0.2
123.11729	0.2
127.03876	1.0
129.05473	2.3
133.10136	0.2
135.04401	0.2
137.02324	2.8
139.29376	0.1
145.04936	0.5
147.06468	0.5
147.07690	0.2
149.02348	0.5
149.13214	0.2
153.01807	2.8
158.99635	0.2
163.03889	0.5
165.01819	2.0
166.02560	0.2
173.06052	0.2
173.13316	0.3
177.00624	0.2
182.54250	0.2
183.02872	0.8
183.04318	0.2
187.03899	0.2
191.14351	0.2
195.02850	0.2
201.05487	1.3
205.05016	0.2
213.05560	0.2
219.06520	0.3
229.04942	3.4
233.04756	0.2
237.02847	0.2
247.05992	0.5
257.04410	2.5
274.04633	0.7
275.05334	0.2
285.03897	0.9
287.05490	2.0
303.04962	100.0
304.05298	2.5
307.12100	0.2
312.49353	0.2
315.05099	0.2
345.05884	0.4
349.12299	0.2
369.06332	0.2
409.15210	0.3
427.16272	0.4
449.10825	0.3
455.10110	0.2
465.10272	15.6
466.10464	0.5
480.20969	0.3
589.21381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2125
Annotation	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.01859	0.8
55.05503	0.4
57.02131	0.2
57.03436	2.1
59.04988	0.2
61.02913	0.8
64.54986	0.2
66.00401	0.2
68.02322	0.2
68.99800	0.3
69.03427	1.4
69.70426	0.2
71.04991	8.5
71.31487	0.5
73.02918	0.4
75.04474	0.8
81.03406	0.9
83.04959	1.2
85.02903	15.8
87.04452	0.4
91.03906	0.3
93.03391	0.3
93.85094	0.2
97.02885	2.0
99.04428	0.6
106.80257	0.2
109.02872	0.9
111.00791	0.8
111.04469	1.0
121.02835	0.8
123.04445	0.2
123.58717	0.2
127.03922	1.5
129.05478	4.1
135.04419	0.5
137.02357	3.0
145.04945	1.5
146.44870	0.2
147.06511	1.9
149.02370	0.4
153.00577	0.3
153.01820	4.5
163.03897	0.5
163.05960	0.3
165.01842	2.0
174.73328	0.2
183.02876	0.7
183.04399	0.2
195.02913	0.3
201.05458	1.4
202.97845	0.2
229.04955	3.6
239.03326	0.4
247.06003	0.6
257.04465	2.4
274.04697	0.6
282.05969	0.2
285.03986	1.4
287.05493	5.0
303.04977	100.0
304.05234	1.9
315.04868	0.3
345.06134	1.1
369.05936	0.2
447.09296	0.3
449.10770	1.2
465.10272	1.3
611.15106	0.3
622.91443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77474	6.2
55.01861	23.9
55.05515	66.9
57.03441	26.3
65.03951	8.4
67.05511	90.4
67.05849	14.1
69.03429	11.1
69.07059	58.9
71.04989	16.4
71.58130	10.1
79.05502	92.8
79.48896	6.1
81.03420	57.8
81.07057	100.0
83.01351	13.0
83.04971	28.1
83.08620	42.9
85.02899	28.0
91.05485	67.6
92.89039	6.5
93.07048	72.1
95.04968	26.3
95.08611	47.8
97.02922	19.5
97.06530	18.7
97.10175	31.7
100.42870	7.1
105.07044	74.0
107.04942	22.5
107.08585	59.0
109.06506	24.7
109.10167	17.2
115.05462	8.3
117.07014	23.3
119.08600	47.7
121.06538	10.3
121.10142	30.6
121.10918	7.1
123.08099	16.8
125.09631	19.8
129.07051	12.7
131.08575	29.1
133.10141	36.2
135.08080	12.0
135.11693	25.7
137.09616	9.7
139.07530	7.9
143.08662	7.7
145.10127	30.0
147.08025	11.2
147.11684	22.8
149.05983	11.9
149.09619	23.0
149.13219	12.0
153.09200	7.3
157.10126	14.3
159.11703	8.8
161.13351	8.2
163.07545	85.1
163.11154	35.9
164.07922	24.8
175.11143	10.6
181.08650	43.2
181.10054	6.3
181.12125	8.5
182.08955	14.8
187.11140	9.4
188.25502	8.8
189.11229	13.2
193.12277	27.0
202.93228	7.7
209.11853	10.0
211.13275	34.0
223.13368	8.7
227.12859	33.3
267.15927	28.5
269.17523	19.2
273.18472	14.3
275.20068	50.9
283.15375	95.8
285.16983	44.2
291.19528	89.3
293.21155	12.3
349.23718	35.8
352.27933	7.7
365.23193	28.4
386.45221	9.0
440.15027	8.1
453.25031	7.7
463.26917	24.2
475.39468	7.5
477.28412	60.9
557.34717	76.6
575.35730	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.9
57.03432	7.1
57.07067	4.2
61.02931	16.2
63.36261	2.0
66.09403	2.1
67.05499	29.0
69.03430	8.1
69.07062	10.5
69.83325	12.1
73.02914	10.1
79.05491	22.4
81.01260	1.8
81.03412	5.7
81.07058	28.4
83.04960	2.3
83.08614	7.4
85.02914	14.5
91.03950	6.8
91.05470	18.2
93.07037	20.4
95.04978	6.7
95.08606	24.9
97.02901	13.3
97.06534	2.5
97.10157	3.6
99.04456	2.0
99.65687	1.8
101.02396	3.2
105.07031	15.2
107.04948	4.4
107.08577	11.8
109.06486	3.3
109.10168	10.6
114.66020	1.8
115.05465	2.3
117.07023	8.9
119.08601	13.4
121.06467	2.8
121.10151	8.3
123.11711	1.9
128.06216	3.4
129.07001	10.9
131.08572	11.6
133.10133	10.3
135.11674	4.9
141.06976	6.9
142.07771	2.6
143.08589	13.9
145.10121	13.0
147.11687	6.1
149.02376	4.4
149.13277	4.3
155.08545	11.5
157.10110	14.7
159.11719	7.6
161.13245	5.7
166.07680	2.4
167.08617	8.6
169.10136	10.6
171.11702	11.9
173.13306	5.7
179.08528	3.7
181.10109	7.3
183.11717	10.5
184.07243	2.1
185.13266	9.1
187.14914	2.9
193.04970	4.7
193.10028	3.2
195.11737	8.7
197.13190	9.5
199.14873	5.9
207.11711	4.0
209.13312	6.5
211.14812	4.9
213.16370	3.5
223.14894	4.3
225.16393	4.0
235.14873	3.3
237.16431	4.1
253.19647	2.4
517.40387	5.0
537.36932	2.0
540.37634	2.8
581.83038	2.3
591.44226	6.5
607.43250	2.6
609.45117	100.0
610.44843	6.3
699.56744	2.4
771.50842	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.2
55.05511	30.7
57.03429	17.6
67.05181	8.3
67.05511	100.0
69.03437	51.3
69.07064	18.5
69.59062	48.1
71.04993	15.0
72.83936	5.7
79.05501	93.6
79.71449	5.9
81.03423	78.1
81.07069	87.9
83.04968	7.2
83.08621	13.7
86.76789	5.1
90.88174	6.6
91.05481	52.2
93.07055	97.7
95.04971	14.1
95.08614	85.6
97.02336	5.6
97.02856	28.3
99.04463	12.2
103.03935	10.1
105.07032	28.7
107.08582	40.2
109.02923	13.2
109.10159	33.3
117.07034	10.6
119.08582	33.1
121.10152	41.5
127.03896	9.3
131.08588	23.4
133.10132	16.0
135.11690	26.3
145.10149	16.5
147.11702	13.7
149.01308	5.7
149.13280	8.5
159.11728	8.9
161.13219	8.6
173.13190	9.0
174.21979	5.4
177.12918	6.2
195.48212	5.9
261.22263	13.9
317.17776	5.6
322.16187	6.0
335.26019	26.9
363.25348	74.3
534.80212	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
55.05507	11.1
57.03430	4.3
57.07080	2.8
61.02924	16.8
67.05502	23.4
69.03419	7.4
69.07064	11.6
69.34851	1.5
69.35194	13.0
71.04985	1.8
73.02922	9.2
79.05487	15.3
81.03415	4.7
81.07052	20.0
83.05006	1.7
83.08613	4.9
85.02897	12.3
90.05018	1.2
91.03953	6.9
91.05482	13.9
93.07043	17.2
95.08596	18.5
97.02877	12.5
97.06518	3.1
97.10204	1.5
99.04455	1.9
101.02357	2.8
105.07019	13.9
107.04950	1.3
107.08585	10.8
109.02859	2.2
109.06490	1.7
109.10159	6.8
113.34464	1.1
117.07021	8.3
119.08570	11.6
121.06477	1.2
121.10131	6.1
123.08038	1.6
123.11717	3.4
127.03925	3.1
128.06192	3.1
129.06993	7.8
130.07738	1.5
131.08557	12.5
133.10112	9.1
135.11694	5.2
141.06999	4.8
142.07785	2.6
143.08549	11.4
145.10097	11.2
147.11703	5.5
149.09644	1.5
149.13280	2.8
153.07011	1.5
155.08566	10.3
156.09341	1.5
157.10088	10.6
159.11659	9.0
161.13255	4.3
167.08514	5.4
168.09428	2.1
169.10126	10.6
171.11679	9.4
173.13264	5.2
175.14828	2.8
179.08527	2.0
181.10100	7.4
182.10886	2.5
183.11703	11.3
185.13257	8.0
187.14816	2.8
189.16440	1.8
193.10138	2.6
195.11687	6.9
197.13278	10.2
199.14842	5.0
201.16377	1.2
205.10110	1.2
207.11713	3.5
209.13167	6.4
211.14919	5.9
213.16425	2.4
219.11646	1.6
221.13304	3.1
223.14819	4.9
225.16420	2.4
227.18118	1.6
237.16344	3.4
239.17934	2.5
251.17981	1.9
265.19446	1.9
271.20422	1.7
321.21967	1.7
337.25116	2.0
349.25333	1.3
373.93579	1.4
407.29068	1.2
447.32297	1.8
517.40802	7.1
535.41107	3.8
539.37079	2.5
541.38983	1.3
591.44263	7.7
607.43365	1.7
609.45099	100.0
610.45374	3.7
621.44672	1.3
753.49585	1.8
771.50708	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	2.5
53.03950	18.2
54.28268	1.9
55.01859	3.6
55.05262	2.2
55.05511	23.3
57.03436	18.0
57.07067	2.2
65.03944	9.6
67.05507	100.0
69.03426	37.9
69.06780	2.0
69.07066	19.9
71.05013	10.0
71.10054	4.7
79.05494	62.7
81.03420	95.1
81.07056	86.5
83.04978	3.0
83.08613	6.5
85.02901	3.8
89.22859	2.0
91.05481	48.2
93.07046	65.7
95.04979	11.8
95.08606	57.7
97.02882	19.5
97.06512	5.2
99.04447	13.7
103.03941	3.5
103.46909	2.1
105.07030	26.2
107.08599	26.0
109.02892	11.4
109.06490	4.5
109.10159	19.8
117.07014	9.9
119.08600	11.7
121.10146	23.8
122.00287	1.8
123.11710	6.3
127.03938	14.5
127.50715	1.8
129.07045	3.2
131.08549	13.6
133.10127	9.6
135.11700	12.4
145.10164	10.5
147.11662	8.2
149.13242	8.3
159.11684	7.1
161.13232	5.3
163.14836	4.0
173.13269	7.7
206.23941	2.1
261.22144	12.4
326.84625	2.0
335.25778	61.7
354.60678	2.2
363.25305	39.4
364.04138	2.0
387.03455	2.1
537.27747	2.0
537.77533	1.9
587.58051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01862	5.0
55.05509	27.5
56.96560	2.9
57.03447	5.4
57.07066	10.3
61.02920	4.5
67.05505	27.7
68.94740	2.9
68.99798	3.1
69.03428	35.5
69.07066	92.6
70.06609	6.3
70.60356	9.6
71.04989	7.9
71.08611	7.1
73.02908	2.8
79.05490	18.9
81.03416	21.2
81.07056	100.0
83.04986	4.6
83.08614	18.9
85.02905	95.2
85.06547	6.1
85.16403	2.6
86.09695	3.4
87.00828	38.5
91.05483	12.2
93.07087	18.9
95.04955	9.4
95.08609	90.0
96.04686	2.9
97.02888	27.8
97.06520	21.2
97.10181	36.9
99.04451	11.3
99.08096	10.5
105.01865	72.6
105.07039	10.8
107.04955	5.6
107.08600	16.8
109.02881	23.1
109.06517	6.3
109.10161	44.5
111.08067	11.3
111.11723	44.0
112.53951	3.2
113.09657	3.1
115.05450	4.0
117.07013	5.9
119.08572	10.1
121.02846	5.6
121.06482	5.4
121.10159	10.1
123.08050	5.1
123.11714	31.7
125.05946	2.7
125.09631	3.6
125.13286	17.4
127.03922	49.0
131.08594	4.8
133.10143	6.5
135.08023	3.3
135.11687	8.8
137.05963	5.0
137.13257	16.1
142.07816	3.3
145.04959	37.1
147.11736	4.3
149.13251	7.1
151.14812	32.0
153.01830	6.0
153.09167	6.2
159.02919	3.9
163.03899	5.2
163.06035	20.3
163.07333	5.1
163.14861	4.0
165.09079	3.8
167.07082	6.7
177.09160	8.1
181.04970	4.3
185.15193	2.9
195.10246	7.9
202.31926	3.0
205.19592	3.4
207.21063	45.6
213.11205	5.3
225.22125	32.7
231.04929	23.6
231.12297	3.5
237.22060	4.1
249.06020	29.4
275.27325	7.7
287.05457	15.1
293.28345	15.7
303.04990	3.4
315.23260	3.4
333.24200	4.0
344.74179	3.2
437.25342	4.2
577.24091	3.7
595.14215	3.6
663.48419	3.2
725.27887	3.4
757.40179	3.7
778.92267	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.4
55.05502	20.3
57.03419	5.5
57.07069	8.3
57.07897	4.3
61.02910	8.4
67.05493	29.1
69.03428	38.3
69.07063	88.0
70.06590	5.5
71.57676	7.3
79.05482	17.2
81.03413	21.9
81.07047	100.0
83.04962	6.8
83.08607	20.3
85.02895	93.6
85.06535	9.6
87.00807	26.6
91.05485	12.0
93.07034	29.7
95.04951	13.9
95.08598	95.3
97.02881	30.1
97.06538	21.1
97.10149	38.0
99.04437	11.9
99.08082	15.4
105.01861	62.6
105.07017	17.4
107.04960	7.9
107.08584	19.6
109.02850	17.3
109.06470	7.0
109.10154	43.0
111.08049	14.2
111.11699	42.6
115.43285	4.0
119.08550	7.4
120.08103	4.2
121.02853	9.8
121.10120	10.5
123.11698	34.4
125.09621	7.1
125.13261	9.7
127.03912	54.7
131.04976	4.6
131.08517	9.9
133.10187	6.8
135.04333	6.9
135.08035	4.8
135.11670	5.3
137.02371	4.3
137.05942	7.9
137.13219	20.0
145.04970	30.4
149.13322	8.3
151.14777	25.4
153.01823	4.6
159.02831	4.9
159.11649	4.7
161.05879	5.9
163.03845	7.5
163.06047	13.1
163.07483	5.6
163.14825	6.4
167.07071	6.0
177.09145	9.5
181.04994	5.0
186.33051	4.4
195.10214	9.8
207.21075	41.4
213.11165	7.6
225.22041	31.2
231.04996	19.3
231.12263	4.6
232.00212	4.3
249.06033	33.3
249.13300	7.7
275.27286	8.0
287.05392	20.6
293.28342	19.3
339.08310	5.4
437.25079	5.7
573.96729	5.5
656.46765	5.1
711.62366	5.1
721.18408	4.5
757.40277	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01874	0.7
55.05506	3.3
57.03420	1.2
61.02916	0.7
67.05506	6.9
68.99800	0.9
69.03416	3.3
69.07071	6.9
69.83434	4.1
71.87360	0.6
79.05487	7.0
81.03415	2.2
81.07066	6.7
83.04963	1.4
83.08618	1.0
85.02920	5.0
91.05482	5.5
93.07049	9.1
95.04960	3.2
95.08620	5.5
97.02882	2.2
97.06510	1.5
97.10143	0.7
98.20777	1.3
105.07027	4.7
107.04942	2.6
107.08583	3.7
109.02886	1.3
109.10158	0.9
111.00781	0.6
111.11784	0.6
117.07005	1.6
119.08619	4.2
121.02861	1.2
121.06544	0.7
121.10139	4.8
125.29622	0.6
127.03922	2.3
131.08595	1.2
133.10118	2.9
135.08018	2.6
135.11678	0.8
137.02347	8.5
139.11159	2.9
143.08646	0.8
145.10083	1.3
147.11684	1.2
149.09592	0.7
153.01851	4.5
159.11668	1.1
163.03947	1.2
164.77042	0.6
165.01859	2.1
171.02760	0.7
173.13287	0.7
183.02885	1.2
183.04367	0.7
184.07408	0.7
201.05484	2.5
203.12794	1.6
207.13818	0.7
217.31348	0.6
229.04950	4.1
237.14803	1.2
247.06012	0.8
257.04520	4.0
257.18906	1.6
274.04694	1.3
275.20071	12.2
285.04037	1.0
293.21106	3.0
302.04272	1.1
303.05002	100.0
315.05038	5.6
327.04996	4.7
335.25769	5.6
341.06735	1.2
343.08054	1.3
353.06607	1.4
395.11264	3.8
411.14267	1.8
466.79974	0.9
495.16690	0.8
509.17917	0.8
559.23505	3.3
560.62463	0.7
577.24347	10.8
595.25189	5.4
699.36255	0.8
721.72235	0.8
735.11603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91705	0.9
53.03941	2.6
55.01874	2.7
55.05512	9.1
57.03419	1.0
57.77190	1.1
59.38757	1.0
65.03935	1.2
67.05504	18.7
69.03430	5.6
69.07076	8.4
69.59007	1.0
70.09704	5.7
71.04993	2.2
79.05491	17.8
81.03420	5.6
81.07051	14.3
83.04977	2.4
83.08623	3.8
85.02916	6.4
90.23561	1.1
91.05480	14.1
93.07042	13.8
95.04945	5.9
95.08613	12.4
97.02880	3.2
97.06532	3.8
97.10169	2.4
99.04516	1.2
105.07028	10.9
106.57192	1.1
107.04953	8.6
107.08591	10.4
109.02862	3.5
109.06516	2.7
109.10133	6.4
111.04440	1.7
111.08033	1.3
117.07014	3.3
119.08570	9.7
121.02852	6.4
121.06528	1.3
121.10149	6.2
123.08080	1.2
123.11749	2.1
125.02399	1.2
125.09613	1.5
127.03933	3.9
129.06978	2.0
131.08597	5.3
133.06496	1.8
133.10136	6.8
135.04395	1.5
135.08066	5.0
137.02356	8.6
137.05994	1.2
137.09598	2.3
139.11201	2.4
145.10136	4.8
147.04453	1.5
147.08040	1.4
147.11650	2.7
149.05991	1.6
149.09631	1.4
153.01843	7.5
155.08484	1.4
159.11702	2.6
161.09671	1.4
165.01903	2.5
169.10228	1.6
173.06007	1.4
173.13394	1.1
183.02953	2.2
189.47787	1.2
195.03114	1.1
201.05458	1.9
203.12767	3.8
229.04968	5.3
231.06581	1.4
241.05026	1.6
257.04407	2.1
257.18936	2.2
258.05157	1.8
275.20090	19.7
285.03943	2.1
287.05505	40.5
291.19415	2.9
293.21188	5.4
299.05518	6.4
302.04211	1.5
303.04987	100.0
304.05423	1.8
313.03326	1.8
315.04950	12.0
323.05490	4.0
327.04962	3.7
337.07083	9.5
339.05072	3.3
341.06476	2.1
345.05975	8.4
353.06552	2.6
365.06451	1.6
379.08221	1.4
385.81662	1.1
411.07025	1.6
411.14056	1.2
411.88184	1.2
421.12869	1.9
435.14377	5.5
447.14478	1.9
451.13943	1.4
465.15463	6.7
467.16833	3.8
481.15128	2.3
483.16202	1.7
485.17975	1.3
507.16400	3.4
531.39612	1.1
559.23370	13.9
577.24292	25.8
595.25043	9.0
661.99316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01856	2.1
55.05492	2.5
57.03429	1.3
61.02923	0.8
67.05515	5.1
67.05814	0.9
69.03439	4.4
69.07050	2.6
70.61055	0.7
70.61406	2.5
79.05502	4.2
81.03394	2.2
81.07065	4.7
83.04968	0.7
83.08604	1.2
85.02908	7.1
91.05476	6.5
93.07044	4.0
95.04962	1.5
95.08607	4.0
97.02887	2.7
103.05441	0.9
105.07030	7.0
107.08578	2.1
109.02881	1.2
109.10186	1.2
115.05439	1.0
117.07030	1.9
119.08572	4.8
121.02803	0.9
121.10130	1.2
127.03889	1.9
131.08548	2.3
133.10124	2.8
135.11691	0.7
137.02342	24.5
137.03342	1.2
145.10097	2.2
147.11682	1.4
149.02390	1.1
153.01778	1.0
155.08496	1.1
159.11742	1.0
163.03932	3.4
165.01804	4.2
169.10127	0.8
171.11717	0.7
173.13165	1.1
179.03404	1.1
183.02850	3.9
185.05988	1.4
187.03973	1.2
189.05421	1.0
191.03456	0.9
199.03783	0.9
213.05478	2.0
217.05025	2.9
220.22798	0.8
229.04884	1.5
238.73392	0.8
239.06795	1.1
241.04918	2.3
245.04469	1.1
257.19055	2.2
259.05878	1.3
275.20065	2.9
287.05490	2.5
290.47223	0.7
299.05481	1.3
302.04272	1.6
303.05032	7.3
305.52621	0.9
312.00854	0.7
315.04974	100.0
316.05231	1.1
327.04974	2.9
329.06558	3.1
337.07135	1.3
339.04834	3.4
339.08597	0.9
341.06552	3.0
343.07990	1.4
351.08508	1.2
353.06479	1.5
365.06378	3.5
366.07175	0.9
367.08008	3.4
369.09744	6.4
377.06284	1.1
379.08133	10.2
380.08853	5.5
381.09763	1.0
386.76453	0.8
391.08008	1.9
393.09677	3.9
395.11108	1.6
405.09698	1.4
407.11078	1.7
419.11215	3.3
421.12698	2.2
433.12622	2.4
457.14639	1.3
487.16620	0.8
491.17334	1.1
507.16559	1.4
508.17047	1.7
509.18179	1.3
541.21771	0.8
559.14771	1.5
559.23206	26.1
577.24335	67.4
578.24707	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01885	0.9
55.05515	5.3
61.02914	1.8
65.83494	0.9
66.20202	0.9
67.05504	9.6
68.99771	1.1
69.03415	3.4
69.07070	8.4
70.99457	0.9
71.04969	1.4
71.58054	1.8
71.97753	1.0
79.05479	9.1
81.03403	3.1
81.07064	6.6
83.04984	1.4
83.08601	2.2
85.02894	8.2
87.91336	0.9
91.05484	8.1
93.07043	7.1
94.65553	0.9
95.04944	3.6
95.08626	5.6
97.02905	4.7
97.06529	1.9
97.10152	3.3
99.04420	1.0
99.08081	1.1
104.57025	0.9
105.07037	5.3
107.04921	2.2
107.08582	9.7
108.48024	0.9
109.02870	1.3
109.06508	1.5
109.10142	3.2
111.00781	1.0
114.01700	0.9
117.07019	2.2
119.08586	5.4
121.02892	1.3
121.10121	4.2
125.09628	2.7
127.03897	2.3
129.06985	1.5
131.05835	0.9
131.08530	2.8
133.10109	3.2
135.08040	1.8
137.02335	11.5
137.03331	1.6
137.09650	1.4
143.08495	1.0
145.04849	1.1
145.10089	2.6
147.11697	2.2
149.02298	1.5
149.05939	1.5
149.09555	1.0
150.10112	1.0
153.01804	4.5
159.11691	1.5
163.03922	2.2
163.11133	1.2
165.01808	2.3
167.19803	0.9
173.13237	1.2
177.01846	1.7
183.02888	2.8
183.11636	1.2
185.06117	0.9
189.01904	1.7
189.11188	3.2
201.05423	1.9
211.74193	1.0
229.04971	5.8
253.05119	1.5
257.04474	2.3
273.04083	1.0
273.12399	1.0
274.04581	1.3
275.20047	6.9
281.04340	1.2
285.03955	1.5
287.05661	1.1
291.19165	1.1
292.19891	1.8
293.20901	1.2
299.05453	1.9
303.04977	100.0
304.05145	1.7
315.04947	22.6
325.07022	1.1
326.04065	1.0
327.05002	37.0
327.08456	2.1
329.06491	4.7
331.15683	3.5
339.04919	3.9
340.05856	1.6
341.02750	1.5
341.06561	15.7
343.08075	1.5
349.16714	6.2
353.06464	2.3
355.08160	7.1
367.08197	1.9
367.17926	3.0
369.09869	2.0
372.18533	1.3
379.07767	1.2
393.09982	1.4
395.11142	4.8
409.12823	2.0
411.14313	6.0
423.14127	1.3
451.13599	1.7
457.14932	1.4
469.14328	1.9
502.08127	1.0
507.16589	4.9
525.17499	1.6
559.23267	6.4
577.14880	2.0
577.24261	42.1
595.25281	36.5
595.35004	1.6
659.38068	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
54.43578	0.6
55.01872	1.0
55.05502	3.7
57.03450	1.1
61.02928	1.0
67.05504	4.5
67.92552	0.7
69.03419	3.8
69.07063	10.4
71.57710	1.2
79.05486	6.0
81.03405	2.1
81.07065	5.4
83.04986	0.9
83.08616	1.0
83.72808	0.8
85.02898	7.7
91.05453	4.7
93.07035	6.5
95.04940	1.0
95.08593	3.4
97.02897	2.3
97.06528	2.2
97.10172	2.2
105.07012	2.6
107.08597	6.8
109.02862	1.1
109.10145	1.3
111.00811	1.6
119.08582	2.0
121.02866	2.2
121.10133	2.3
125.09634	1.3
127.03976	1.7
133.10132	1.9
137.02333	10.6
139.11090	1.4
145.05003	0.9
145.10136	1.3
147.11673	1.0
149.02313	0.9
149.05957	1.3
153.01851	3.5
154.49698	0.8
160.05295	0.8
163.03922	1.2
165.01877	3.0
177.01816	2.1
184.07454	1.2
189.01744	1.8
189.11247	1.1
201.05380	1.8
229.04929	4.8
243.08969	0.9
253.04846	1.8
257.04489	2.7
275.19983	3.8
280.09888	0.7
281.04370	1.6
285.04065	1.6
299.05426	3.0
303.04990	100.0
304.05347	1.6
311.05450	0.8
315.04987	11.6
326.04141	5.0
327.04993	59.5
329.06525	3.2
331.16006	1.5
339.04929	4.2
340.05716	1.2
341.06525	19.3
343.08182	1.1
349.16949	5.1
353.06641	2.1
355.08093	7.1
367.08136	0.9
367.17807	2.7
367.22427	0.9
393.09717	1.5
395.11401	4.8
407.11124	1.3
409.13120	0.9
411.14371	5.5
423.13821	0.9
447.14063	1.4
507.16418	3.5
525.17450	1.9
548.85968	0.8
559.23309	1.6
568.99213	0.9
577.24310	51.2
578.24561	1.7
595.25354	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01872	4.7
55.05505	11.7
59.05951	2.0
60.32497	2.0
61.02904	2.1
67.05502	24.1
69.03429	10.5
69.07053	8.1
69.95557	12.7
79.05489	18.2
81.03423	7.1
81.07027	11.0
83.08617	3.1
85.02909	15.5
91.05476	15.2
93.07043	7.5
95.04945	4.3
95.08607	17.0
97.02870	8.5
97.10159	4.3
101.27840	2.3
101.54073	2.2
105.07036	9.4
107.04944	3.4
107.08594	12.8
109.10175	7.4
111.21901	2.3
117.07062	3.9
119.08579	6.6
121.02811	2.5
121.10126	2.9
125.09666	2.3
127.03899	4.3
129.06947	2.4
131.08554	5.7
133.10103	7.5
135.08005	2.7
135.11839	2.7
137.02322	13.2
147.08075	2.2
149.05963	11.5
153.01820	28.3
159.11726	2.5
161.06038	3.7
161.13263	3.0
163.03877	3.5
163.11230	2.5
164.24438	2.3
165.01808	5.6
165.07082	2.4
167.07030	6.9
173.05975	3.0
183.02853	4.2
184.07335	3.1
189.11243	4.2
191.76889	2.3
203.06989	3.2
215.05521	2.4
217.05017	4.0
229.04976	3.0
231.06520	4.9
231.73314	2.6
241.04930	4.6
257.04489	3.7
259.06058	7.1
259.81461	2.2
267.42618	2.4
275.20105	8.8
287.05505	9.2
299.05768	3.3
303.04922	45.9
311.05692	3.0
315.04974	100.0
316.05615	2.6
327.05078	21.4
329.06641	4.7
339.04861	13.9
341.06577	13.1
353.06525	8.2
355.08157	2.9
369.09625	2.9
375.08429	3.5
379.08362	3.8
391.08209	2.8
397.75101	3.0
405.09192	3.3
421.13022	11.3
423.14325	8.6
433.12604	5.0
439.13867	13.6
447.14456	2.4
451.13831	9.9
457.14914	17.1
467.13477	3.5
469.14804	9.1
477.15436	4.3
481.14743	4.6
495.16412	3.9
531.23260	3.2
559.23230	57.1
577.24292	69.9
595.16595	3.6
595.25452	50.3
596.25629	3.3
677.42627	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01870	2.4
55.05299	0.5
55.05512	4.5
57.03422	1.5
61.02912	1.6
62.07232	0.5
65.03925	1.1
67.05505	8.2
68.44164	0.5
68.99777	0.6
69.03423	4.9
69.07057	2.1
69.29356	3.8
71.04981	0.8
73.02919	0.6
79.05489	7.9
79.31509	0.4
81.03431	2.7
81.07058	5.4
81.18596	0.5
83.04961	1.0
83.08612	1.5
85.02899	8.1
87.04467	0.5
91.05466	8.3
93.06494	0.5
93.07043	6.7
95.04968	1.8
95.08608	4.9
97.02872	3.0
97.06509	0.6
97.10147	1.1
105.04515	0.4
105.07020	6.0
107.04923	0.9
107.08586	6.4
109.02875	1.4
109.06508	0.8
109.10175	2.4
115.16016	0.4
117.07021	2.7
119.08581	4.8
121.02831	1.2
121.06509	0.5
121.10117	2.2
123.04428	1.0
125.09610	0.7
127.03913	2.0
129.06987	0.9
131.04900	0.7
131.08568	1.8
133.10144	3.0
135.04349	0.5
135.11649	0.9
135.20346	0.5
137.02341	24.6
137.03389	1.5
137.05927	0.5
141.01793	0.9
143.08565	0.6
145.04935	0.8
145.10170	2.6
147.04425	0.6
147.11676	1.6
149.02322	1.2
149.05984	1.2
153.01820	3.2
157.10188	0.5
159.11594	1.1
161.02298	0.9
161.05978	0.5
163.03894	3.5
165.01851	4.0
167.03418	0.7
169.10117	0.5
171.11751	0.5
172.08604	0.5
173.06017	0.7
173.13234	0.9
177.05469	0.6
183.02861	3.8
183.11678	0.5
185.05983	1.1
187.03897	1.1
189.01836	1.2
189.05482	1.1
189.11189	1.7
191.03391	1.6
197.06023	0.7
199.03876	1.1
203.03381	1.1
205.04762	0.6
213.05460	1.7
217.05020	2.4
227.06911	0.6
229.04967	1.3
231.06570	0.6
237.05540	0.6
239.07060	0.6
241.04968	1.9
243.06535	0.7
245.04491	1.1
249.18446	0.5
257.04471	0.9
257.19040	1.2
259.06039	2.4
267.06619	0.8
269.04443	0.9
269.08115	0.6
271.06137	0.6
275.20041	10.2
283.05978	1.5
287.05429	3.2
299.05460	5.1
302.04233	1.7
303.04987	16.6
311.05399	2.0
313.03384	0.6
313.07208	1.1
315.04965	100.0
316.05304	1.4
325.07010	1.1
327.04944	5.6
329.03122	0.6
329.06573	4.0
337.06760	0.7
339.04977	14.4
340.05786	0.6
341.06497	5.5
343.07901	2.3
345.06149	0.5
351.08652	0.5
352.05164	0.6
353.06552	2.9
355.08066	0.9
365.06580	1.1
367.07965	1.4
369.09686	7.4
371.07629	0.6
377.06592	0.8
379.08099	4.5
380.09064	1.1
393.09607	1.2
395.10760	1.0
407.11255	0.6
411.14453	0.7
421.12729	1.8
423.14478	2.4
433.12787	1.6
435.14212	0.8
439.13687	2.6
441.15369	1.6
447.14539	0.7
451.08194	0.8
451.13910	12.0
457.08450	0.7
457.14923	16.8
469.14963	30.1
470.15128	0.5
481.14514	0.7
487.08890	1.0
487.15991	17.0
495.16498	0.8
541.21631	0.8
559.23181	17.2
577.24292	24.8
578.24194	1.0
595.25372	11.9
697.83850	0.5
757.37494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2176
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03933	0.2
55.01871	0.3
55.05504	0.2
56.96550	0.2
57.03437	1.4
60.47490	0.1
61.02909	0.4
68.99794	0.4
69.03418	1.1
70.06588	0.1
71.04990	7.6
71.56679	0.1
71.57106	0.2
73.02898	0.5
75.04462	0.5
78.53254	0.1
79.05493	0.1
80.02507	0.1
81.03407	0.6
83.04954	0.5
83.93301	0.1
85.02900	12.4
87.04459	0.4
91.03923	0.2
95.04935	0.2
97.02892	1.1
99.04427	0.3
104.62907	0.1
105.03384	0.3
107.04948	0.2
109.02874	0.3
110.01292	0.1
110.85862	0.1
111.00783	0.5
111.04430	0.4
121.02864	1.9
125.20667	0.1
127.03902	0.9
127.87671	0.1
128.81876	0.1
129.05464	2.4
132.95763	0.2
133.02808	0.4
135.04411	0.2
136.76250	0.1
137.02307	0.5
145.04942	0.8
145.06496	0.1
147.04395	0.4
147.06497	0.6
151.40822	0.1
153.01830	2.6
157.06471	0.3
163.03873	0.3
165.01823	1.3
171.02939	0.2
174.96907	0.2
183.02878	0.9
185.05972	0.2
213.05482	0.8
231.06500	0.5
241.04906	0.8
258.05194	0.8
259.06015	0.4
259.16882	0.1
269.04401	0.2
287.05475	100.0
288.05807	2.3
296.06204	0.2
299.05536	0.2
308.84952	0.2
311.05688	0.2
329.06421	0.7
353.06345	0.2
375.34247	0.1
382.74655	0.1
415.10168	0.2
433.11377	0.3
449.10770	16.3
450.11099	0.5
518.41547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01865	2.3
55.05515	10.4
57.03416	2.2
57.07054	2.0
61.01142	1.6
65.03944	1.7
67.05502	19.6
68.99785	2.3
69.03423	18.6
69.07055	16.5
69.29975	5.8
69.30389	12.2
70.06566	5.1
71.04982	4.6
79.05476	8.4
81.03406	16.4
81.07049	23.1
83.04984	11.1
83.08592	5.9
85.02898	17.3
85.06519	3.4
87.00802	4.6
91.05461	10.4
93.07046	13.5
95.04952	5.0
95.08047	3.0
95.08599	33.5
97.02895	11.9
97.06523	4.4
97.10159	2.6
99.04459	4.7
99.08079	3.8
105.01897	2.7
105.07018	13.1
107.04955	3.6
107.08599	21.1
109.02890	22.5
109.06529	10.9
109.10150	100.0
111.04412	3.0
111.08105	2.2
111.11600	1.6
113.09635	1.8
119.08582	41.2
120.08103	2.1
121.02879	1.6
121.06506	2.7
121.10144	14.0
123.04398	2.1
123.08064	14.4
123.11707	9.6
125.05991	4.2
125.09640	1.9
127.03899	27.3
129.07018	2.2
131.04814	1.9
131.08517	2.8
133.10112	17.9
135.04399	2.6
135.11687	96.6
137.02316	2.6
137.05989	4.7
137.09602	15.8
141.01810	2.0
145.04938	4.5
145.10110	3.8
146.10338	1.9
147.04405	2.3
147.11716	3.5
149.05954	1.8
149.13232	5.6
150.13646	1.8
151.11183	7.8
151.14787	8.9
153.01843	2.3
153.05377	2.0
153.12677	3.1
159.02843	1.6
159.04453	2.1
161.05949	4.0
163.03894	2.5
163.07530	2.3
165.16466	2.7
167.07025	6.3
173.09625	2.8
175.14812	40.1
177.09013	2.1
181.04860	2.6
185.09785	2.1
189.05402	3.9
193.15871	63.4
195.02899	2.0
211.16911	74.4
213.03922	4.4
216.11026	1.9
231.04938	4.0
319.09467	2.5
339.07535	1.5
339.12228	5.6
351.12134	3.4
357.08127	1.8
367.06302	1.9
375.09146	2.6
465.92017	2.1
613.70374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2182
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03944	1.1
57.03421	2.1
69.03425	2.1
70.06588	1.9
70.12769	3.3
71.04991	7.3
79.05488	1.0
81.03428	0.9
85.02430	1.1
85.02909	12.2
95.04968	0.8
97.02908	2.1
98.48253	0.8
99.04469	1.0
109.02870	1.9
116.98616	1.0
121.02879	1.9
127.03905	1.1
129.05475	2.9
131.08604	1.0
153.01811	2.8
163.03940	1.2
165.01843	1.8
191.08197	1.4
191.14343	0.9
213.05475	1.0
243.06325	1.0
255.06371	1.1
257.67685	0.9
279.06519	1.2
283.58398	0.9
286.04431	0.9
287.05499	100.0
288.05814	1.4
303.04929	2.5
337.74136	1.0
449.10815	17.7
710.95166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2179
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03942	0.7
55.05501	0.7
55.42285	0.6
57.03431	3.3
66.02134	0.6
68.99800	0.7
69.03423	3.3
71.01310	0.7
71.04988	17.6
71.12154	1.3
73.02898	0.9
75.04475	1.6
81.03403	1.1
83.04971	4.4
85.02896	29.0
87.04466	0.8
90.90058	0.6
91.03920	0.9
97.02880	2.5
97.06500	0.9
109.02863	0.8
111.00822	0.8
111.04443	2.2
121.02859	2.3
123.04357	0.7
127.03874	2.1
129.05469	7.4
135.04463	0.7
137.02327	2.7
145.04919	2.2
147.04437	1.0
147.06487	3.0
153.01802	4.1
153.05426	1.1
165.01822	2.6
183.02843	0.8
195.03029	0.9
201.05486	1.1
213.05617	0.9
229.04872	3.0
239.08945	0.9
247.06142	1.2
252.79431	0.7
257.04376	1.7
258.05310	0.8
274.04636	0.7
285.04184	0.8
287.05481	69.4
288.05786	1.4
303.04968	100.0
304.05215	1.6
315.05133	0.9
331.25482	0.7
345.06042	2.2
357.83777	0.7
449.10730	2.1
465.09921	1.5
505.12222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.6
53.03936	4.0
55.01854	4.0
55.05266	1.6
55.05508	21.2
57.03438	12.1
57.07070	1.6
59.04997	2.3
61.02912	4.3
62.44816	1.4
65.03922	1.7
67.05501	51.8
69.03399	2.5
69.07061	11.2
69.65069	9.5
71.04996	2.2
73.02894	1.4
79.05067	2.3
79.05492	32.1
81.03399	4.3
81.07054	51.6
83.04961	3.0
83.08615	15.2
85.02901	3.5
85.06538	2.4
91.05476	33.4
93.07037	39.3
95.04974	9.7
95.08602	29.5
97.02872	5.8
97.06526	4.6
97.10140	2.7
99.00816	18.0
99.04444	1.7
103.05515	1.7
105.07025	28.4
107.04954	6.5
107.08585	20.3
109.02884	8.8
109.06516	4.5
109.10138	17.7
111.08064	4.2
115.03912	2.9
117.07018	7.4
119.08577	16.4
121.06503	7.6
121.10141	12.5
123.08059	2.2
123.11695	5.7
127.03914	2.6
129.07013	1.4
131.08569	7.7
133.06487	2.6
133.10124	41.9
135.08096	2.1
135.11684	8.1
137.05957	1.7
137.09598	2.1
137.13226	2.1
139.07564	2.7
143.08533	4.3
145.10129	4.9
147.04337	1.4
147.08037	2.6
147.11671	5.0
149.09604	1.2
149.13246	5.2
151.11145	12.0
157.78593	1.1
159.07668	1.3
159.11696	4.5
161.09610	16.8
161.13217	2.3
163.11189	2.5
163.14787	3.7
171.08046	2.5
171.46249	1.6
173.13234	3.1
175.14816	1.3
177.16396	1.5
179.10660	9.5
189.09125	9.0
189.10689	1.6
195.56644	1.3
197.11761	3.4
207.10228	3.5
225.11223	15.6
243.12317	4.5
243.21054	4.4
261.22110	17.4
267.15921	3.4
275.20010	5.1
277.21399	1.6
281.13855	3.2
285.16925	3.6
293.20947	1.4
299.14874	100.0
300.15225	3.0
315.23254	2.6
317.24646	3.5
335.25797	76.3
336.26157	3.4
349.23669	4.2
449.30344	1.9
467.31296	2.9
485.32410	2.4
513.35822	3.0
531.36340	1.5
541.35126	2.5
559.36359	32.6
560.36005	3.2
577.37091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	2.4
53.03941	3.1
55.01866	5.0
55.05511	23.4
57.03440	13.3
57.07054	2.2
59.04982	2.8
61.02909	3.2
65.03922	1.8
66.23659	0.9
67.05503	46.3
69.03423	1.7
69.07059	10.9
70.67547	2.8
70.67899	1.7
71.01340	1.4
71.04995	2.0
73.02898	2.0
79.05492	33.0
81.03408	3.3
81.07055	53.2
83.04994	2.2
83.08624	15.9
84.53471	1.0
85.02901	2.8
85.06539	3.0
86.09724	2.6
91.05477	30.2
93.06476	2.3
93.07040	38.0
95.04973	8.2
95.07995	1.6
95.08604	31.9
96.23229	1.2
97.02901	5.4
97.06519	4.8
97.10155	4.1
99.00809	15.2
99.08060	1.2
103.05428	1.6
104.12164	1.1
104.30085	0.9
105.07034	27.1
107.04970	5.7
107.08585	22.3
109.02868	8.8
109.06502	4.4
109.10150	17.1
111.04414	2.0
111.08099	5.8
115.03903	2.3
117.06996	5.0
118.15636	1.1
119.08571	17.7
121.06477	5.8
121.10138	15.1
123.04427	1.7
123.08125	1.4
123.11702	6.3
124.99983	1.3
125.09624	1.2
127.03940	3.2
128.06230	1.2
129.07013	3.0
131.08565	8.6
133.06488	1.3
133.10126	43.8
135.08035	2.8
135.11678	9.4
137.09576	2.6
137.13251	1.6
139.07498	2.8
143.08572	6.3
145.10124	6.5
147.11693	6.3
149.09586	3.1
149.13249	4.5
151.11189	12.6
156.48822	1.2
159.11702	3.5
161.09605	14.7
161.13272	3.9
163.11185	2.8
163.14865	2.3
165.12730	2.0
171.08055	3.1
171.11664	1.4
173.13263	3.4
175.14931	1.5
179.10664	12.0
184.07382	9.2
189.09138	8.9
197.11722	3.8
207.10156	3.7
225.11194	17.1
243.12248	5.0
243.21063	5.0
261.22125	19.3
267.15918	4.1
275.20007	5.9
281.13818	4.1
285.16898	4.7
293.20926	1.4
299.14877	100.0
315.23068	3.3
317.24677	4.1
335.25790	76.7
349.23798	5.8
356.06607	1.1
421.31061	1.6
449.30252	2.3
467.31522	4.1
485.32462	2.5
513.35657	2.6
515.37238	1.8
531.36536	1.9
541.35162	5.1
559.36304	35.3
577.37103	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73133	2.0
55.01859	5.9
55.05506	21.3
57.03423	8.0
65.03955	2.2
67.05500	20.3
69.03397	6.0
69.07040	7.9
71.04990	3.2
71.57642	2.2
71.58014	3.0
79.05486	27.9
81.03411	46.1
81.07047	24.8
83.04988	4.5
83.08617	19.5
85.02875	4.7
86.09704	2.8
91.05485	19.6
93.07022	15.6
95.04955	24.7
95.08595	12.1
97.02898	5.4
97.06496	5.2
97.10166	17.4
102.32685	2.6
105.07014	15.7
107.04961	13.9
107.08588	16.2
109.06505	11.6
109.10143	6.0
111.08067	5.8
117.06985	5.1
118.45776	2.0
119.08591	13.5
121.06509	11.6
121.07242	2.0
121.10120	7.6
123.08038	4.0
123.11711	2.3
124.18073	2.0
125.09617	13.4
129.06982	8.8
130.54245	2.0
131.08540	8.5
133.06467	4.9
133.10110	6.7
135.08003	5.9
137.09561	1.8
137.51982	2.2
143.08623	2.6
145.06476	5.8
145.10109	9.6
147.04405	3.5
147.08035	5.0
147.11665	7.5
149.05894	3.5
149.09604	3.2
153.09064	5.6
157.10120	6.9
159.11688	3.2
161.06001	3.3
163.03944	2.4
163.11121	3.2
165.09180	2.1
173.09619	3.2
175.11182	7.8
189.11223	6.1
193.12273	15.3
195.11739	3.1
217.77147	2.5
227.12785	3.0
233.15405	3.5
235.13251	2.7
267.15854	39.0
273.14807	6.7
315.04926	4.9
339.23199	3.4
349.21481	3.7
353.10117	5.4
367.22452	11.9
385.23679	26.7
403.24838	7.4
405.24060	2.4
441.26263	5.5
459.27386	100.0
465.48755	2.1
477.28461	80.9
477.35333	3.9
491.30029	12.8
509.30789	4.4
528.20868	2.6
595.15320	2.8
651.47296	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01871	3.2
57.03429	3.1
61.02924	3.2
65.03627	0.9
68.99793	2.0
69.03429	18.2
70.60925	1.9
70.61293	1.6
71.04979	1.9
73.02904	2.5
79.05504	1.4
81.03423	13.8
81.07069	1.0
83.01327	1.2
83.04986	0.9
85.02905	32.1
87.00830	12.6
91.05477	9.3
92.00846	0.8
93.07005	1.1
95.04950	1.2
97.02887	11.3
98.21543	0.8
99.04453	5.8
101.15446	0.8
105.01872	10.2
109.02876	14.3
115.05437	1.1
117.01856	1.8
117.07032	2.4
119.04942	12.4
119.08564	1.1
123.04424	2.8
127.03915	22.3
129.01878	1.9
129.06995	0.9
135.04434	0.9
137.06003	2.0
145.04950	7.3
145.06442	2.9
147.02837	1.1
147.04453	1.6
149.05983	78.6
151.07578	3.5
157.06511	0.9
159.02892	7.3
159.08051	1.2
161.05994	1.3
163.03944	0.9
163.07556	1.7
173.06006	1.4
175.07549	29.3
177.09120	1.6
185.05945	1.2
187.07570	1.3
191.07036	1.3
203.10628	2.1
204.10901	1.2
205.12242	100.0
206.12535	1.3
213.09099	1.2
217.08600	1.2
223.07564	1.0
231.04909	3.9
231.13797	21.3
241.08566	1.0
243.13664	5.5
245.15361	2.0
253.08533	1.9
273.14828	4.6
283.09659	6.9
285.11200	6.4
295.09659	1.1
297.15070	1.6
309.11096	2.2
315.07141	0.9
327.12341	1.1
334.41299	1.0
339.15854	8.6
341.17422	21.5
351.12347	3.1
356.72064	0.9
363.11975	0.8
365.17392	4.7
383.18478	6.6
405.11807	2.8
407.18576	3.6
429.15442	1.2
431.18695	0.8
443.16830	4.5
447.16455	1.3
461.17926	2.7
467.20874	0.9
497.14273	2.8
503.22382	1.1
515.15424	2.2
533.16467	3.3
626.72168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05503	1.5
57.03422	1.8
61.02930	6.5
66.13649	0.7
67.05499	5.0
69.03436	2.4
69.07043	1.8
70.76880	1.4
70.77222	1.0
71.08632	1.0
73.02908	4.6
79.05500	3.3
81.03410	2.4
81.07063	7.9
83.08607	1.2
85.02900	4.5
91.03954	3.1
91.05488	2.5
93.07061	3.2
95.08597	3.7
97.02888	5.4
98.21464	0.8
99.04453	1.6
101.02384	1.4
105.07033	2.4
107.08637	1.8
109.02896	0.8
109.10176	1.3
119.08609	1.9
121.10150	2.1
123.11714	2.2
125.86873	0.8
127.03925	1.2
133.10239	0.7
145.10147	0.7
147.11673	4.2
149.87613	0.8
164.56400	0.8
165.12836	1.4
206.02351	0.8
243.08466	1.4
269.12442	0.9
296.87030	0.8
307.15125	0.9
340.15518	0.8
469.20316	11.0
519.29437	5.9
655.91595	0.8
663.75922	0.8
703.43091	1.7
747.42883	100.0
748.43195	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.03433	1.7
58.93225	0.6
61.02927	4.7
66.87545	0.6
67.05518	3.2
69.03420	3.8
69.07066	1.7
71.58540	1.2
73.02917	3.9
78.98736	0.6
79.05499	2.9
81.03426	4.3
81.07041	4.8
83.08617	1.4
85.02899	6.0
87.04494	0.9
91.03954	2.0
91.05463	3.4
93.07040	2.4
95.04968	1.7
95.08591	2.3
97.02901	3.9
98.98132	0.6
99.04498	0.7
101.02389	2.2
105.07047	2.1
107.08602	1.4
109.10117	0.7
119.08603	2.0
121.10154	1.1
127.03951	1.5
131.08633	1.1
133.10194	1.2
133.86707	0.6
135.11719	0.8
147.11682	0.7
157.10176	0.7
193.12187	0.7
211.13228	0.9
215.95859	0.7
233.99594	0.6
243.08540	2.1
368.88858	0.6
469.20551	9.0
495.23676	0.7
519.29224	6.1
747.42847	100.0
748.43500	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20058	1.2
55.05505	1.3
55.98098	1.1
57.03432	2.5
61.02929	4.9
63.08180	1.1
66.90447	1.1
67.05509	3.9
69.03422	3.7
69.07050	1.4
70.65000	3.2
71.10197	1.4
73.02920	4.2
79.05493	5.1
81.03414	1.8
81.07059	5.4
81.24387	1.2
85.02908	3.6
91.03988	3.4
91.05478	1.7
93.07046	6.3
95.08619	4.1
97.02926	4.4
101.02410	2.9
105.07005	1.6
107.08589	3.8
109.02866	1.4
119.08578	3.0
121.10194	1.7
127.03857	1.3
131.08542	1.4
135.11728	2.3
139.86314	1.2
145.10114	2.5
147.15607	1.4
163.11232	3.7
227.12871	2.2
243.08463	3.2
249.11058	8.1
467.18912	9.7
519.29364	4.4
603.01923	1.7
715.70648	1.7
719.10510	1.6
745.41272	100.0
746.41254	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
54.57501	0.5
55.05510	1.9
57.03437	2.1
61.02921	6.8
65.78098	0.6
67.05497	5.8
69.03435	4.7
69.07057	2.0
71.01348	0.6
71.05003	1.3
73.02915	4.5
79.05481	4.0
81.03436	2.9
81.07046	5.0
83.08611	1.3
85.02906	7.0
91.03938	3.7
91.05473	3.0
93.07037	4.2
95.04987	1.0
95.08598	4.7
96.66732	0.7
97.02878	5.5
97.10153	0.7
101.02405	2.5
101.09297	0.6
105.07059	2.5
107.08614	2.3
109.02901	0.8
109.06480	0.9
111.08105	0.7
119.08607	1.4
121.10160	2.1
125.89805	0.7
126.05886	0.7
127.03938	1.8
131.08597	1.3
133.10129	1.0
147.11691	1.0
150.79915	0.7
184.07478	0.7
240.70383	0.6
243.08484	2.3
251.12714	1.7
303.14914	0.6
335.25848	1.0
353.00790	0.7
366.36179	0.8
403.37665	0.7
465.68549	0.7
469.20590	3.5
519.29413	10.3
732.62958	0.7
747.42883	100.0
748.43274	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05507	2.1
57.03423	1.9
61.02929	4.8
62.44472	1.0
67.05508	5.2
69.03421	3.5
69.07078	1.4
69.63667	0.7
70.16923	4.8
71.01362	1.0
73.02914	3.1
76.68420	0.8
79.05495	5.3
79.33922	0.8
81.03412	1.8
81.07042	4.8
85.02908	4.9
91.03954	3.1
91.05492	3.1
93.07044	4.9
95.04969	1.2
95.08606	4.1
97.02901	5.4
101.02401	1.3
101.03831	0.9
105.07027	1.9
107.08607	1.8
109.10159	1.7
119.08596	1.9
121.10152	1.6
127.03929	1.4
133.61188	0.8
135.11713	2.4
145.10121	1.5
163.11226	1.9
184.07173	0.9
185.45503	0.8
221.41621	1.0
227.12953	1.0
243.08432	2.0
249.10959	8.3
430.53503	1.0
467.18719	5.2
519.29364	8.7
530.98511	1.1
548.73615	1.0
745.41235	100.0
746.41241	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
61.02919	5.1
67.05495	3.4
69.03425	2.9
69.07053	2.0
69.75031	1.9
71.58922	2.3
71.59275	2.3
73.02913	3.6
79.05477	6.4
81.03420	1.8
81.07049	5.6
83.08632	2.2
85.02914	5.1
91.03960	2.5
91.05507	2.9
93.07037	4.4
95.08607	5.6
97.02899	4.5
101.02433	1.8
105.07043	2.4
107.08533	2.8
109.02872	1.6
109.10175	2.3
121.10169	2.9
133.10126	1.9
145.10080	2.1
147.11693	3.0
161.13249	2.8
185.04457	1.7
188.26273	1.7
193.94608	1.7
245.71060	1.8
247.13063	2.4
247.59055	1.6
377.82260	1.6
398.81149	1.7
465.21249	4.9
519.29218	8.7
553.49207	1.8
743.43402	100.0
744.44073	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.05508	24.5
57.03415	14.4
58.41531	3.1
61.02919	4.6
67.05502	62.8
69.03412	15.0
69.07064	22.3
69.31863	36.1
71.04984	8.1
72.78056	3.3
79.05488	44.0
81.03415	52.6
81.07049	100.0
83.04961	9.5
83.08614	19.2
83.17530	3.1
85.02902	28.8
85.06522	3.9
91.05474	44.4
93.07037	42.0
95.04982	17.8
95.08599	41.4
97.02877	7.9
97.06513	10.0
97.10136	6.4
98.05776	3.4
99.04399	5.2
105.07034	41.8
107.08562	27.4
109.02864	13.0
109.06493	9.5
109.10153	14.1
111.08072	7.2
117.06995	4.5
119.08569	33.8
121.10138	37.3
123.08083	3.0
123.11682	25.1
127.03902	23.0
127.07541	3.5
129.06990	5.6
131.08548	11.3
133.10126	12.9
135.11667	10.1
145.10147	6.4
147.10532	4.4
147.11674	69.3
149.09616	7.5
149.13287	4.6
157.10141	9.7
159.24899	3.5
165.12749	27.2
173.13290	5.2
175.11147	11.8
183.13789	9.8
186.21173	3.5
187.14819	5.5
193.12253	31.8
194.67039	3.7
203.17816	3.8
211.13268	47.7
229.14330	44.2
243.21037	4.1
261.22180	12.0
267.15884	10.8
285.16983	44.2
314.95578	3.5
335.25787	68.0
335.29556	2.8
337.16391	22.4
355.17526	33.1
373.18604	14.2
527.37195	4.3
545.38324	92.5
733.36420	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	5.4
54.49252	4.2
55.05493	20.3
57.03423	9.8
66.84215	5.0
67.05499	58.7
69.07054	21.4
69.43996	12.5
69.44408	33.6
79.05507	36.3
81.07050	96.1
83.04951	7.3
83.08614	10.7
85.02878	7.0
85.06544	7.8
91.05482	29.7
93.07042	33.8
93.20123	6.2
95.04945	5.5
95.08600	38.3
97.06541	6.5
98.20803	11.5
105.07014	40.7
107.08572	19.2
109.06510	5.3
109.10158	18.7
114.46481	5.9
119.08581	32.8
121.10143	31.7
123.08044	5.1
123.11684	25.6
129.06961	4.7
131.08501	6.6
133.10158	10.4
135.11684	8.3
145.10054	5.8
147.11673	64.2
149.13297	5.6
153.98994	5.2
161.13268	5.8
165.12720	21.9
185.86760	4.6
243.20988	8.8
261.22147	24.9
267.15894	67.4
285.16953	79.4
286.35016	4.9
317.24576	5.9
335.25766	100.0
403.16049	4.8
545.38312	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.05508	17.2
56.96905	2.4
57.03432	8.3
58.06506	2.3
67.05499	37.0
68.85705	2.6
69.03455	2.5
69.07060	9.5
71.05001	3.5
71.58836	3.2
73.69354	2.7
75.98850	2.7
77.80028	3.5
79.05494	38.8
81.03419	51.6
81.07055	48.8
83.04992	14.2
83.08617	17.7
85.02911	17.5
88.93989	2.8
91.05478	30.0
93.07038	33.2
95.04967	22.5
95.08601	29.0
97.06541	3.3
97.10153	5.1
104.32722	2.6
105.07037	19.7
106.44712	3.3
107.08598	17.0
109.06499	4.5
109.10162	8.4
111.08074	7.2
115.05504	2.7
115.49762	3.2
117.07021	3.5
119.08593	17.6
121.10151	11.7
121.91959	2.9
129.06990	7.0
130.15677	2.8
131.08591	11.5
133.10149	6.3
135.11726	9.5
139.40195	3.4
140.06830	9.0
142.07803	3.7
145.10091	6.6
147.11693	15.7
149.09618	4.4
157.10162	13.2
165.12794	4.2
175.11191	10.2
193.12238	37.6
211.13283	41.3
227.19989	3.5
261.22159	6.4
267.15884	9.1
285.16943	42.6
331.33945	3.5
335.25769	57.9
336.26254	3.4
527.37494	8.7
545.38336	100.0
546.38519	4.2
717.04437	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.05505	26.1
57.03423	18.9
57.07064	5.6
61.02918	6.8
67.05507	65.7
68.05838	6.1
69.07063	14.5
69.31425	34.0
69.31846	32.2
71.04997	7.5
79.05497	42.2
81.03403	55.4
81.07058	65.9
83.04965	14.2
83.08611	24.3
85.02906	17.0
91.05479	46.1
93.07035	47.8
95.04963	23.4
95.08595	50.9
97.10168	6.1
105.07023	28.1
107.08584	19.6
109.10169	17.9
111.08084	11.4
112.43759	6.7
119.08580	23.3
121.10172	13.4
129.06995	17.3
131.08568	18.0
133.10146	15.6
135.11665	15.6
147.11699	18.6
149.09686	6.8
149.13181	7.6
157.10147	12.5
169.10172	7.7
175.11206	13.6
193.12204	43.8
211.13261	59.5
217.18886	6.8
227.20135	15.3
232.00294	8.1
267.15970	10.0
285.16956	59.7
335.25903	74.1
367.84274	7.3
474.79718	6.4
527.37134	12.3
545.38409	100.0
637.77032	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01875	2.9
55.05509	30.0
57.03438	24.8
57.07071	2.8
60.13579	1.9
61.02923	6.7
65.03933	4.6
67.05503	74.6
68.31140	1.7
69.03437	4.0
69.07069	20.0
69.08527	1.9
71.04998	7.7
71.19814	3.8
79.05492	55.6
81.03416	65.0
81.06580	4.0
81.07058	69.6
83.04980	15.6
83.08624	28.2
85.02910	27.2
85.06548	3.7
91.05478	50.2
93.07043	51.9
93.51073	2.1
95.04969	34.3
95.08603	45.6
97.02914	4.8
97.06541	4.8
97.10185	6.6
99.08073	3.1
105.07022	37.7
107.04967	6.1
107.08588	27.8
109.06528	6.4
109.10138	16.5
111.04454	1.9
111.08081	10.4
113.05993	3.1
117.07023	5.5
119.08577	30.0
121.10137	24.8
123.08056	4.1
123.11694	4.5
129.07002	14.5
131.08565	25.0
133.10124	18.4
135.11673	14.0
145.10112	8.4
147.08047	3.5
147.11674	21.1
149.09610	7.9
149.13211	4.7
157.10124	14.9
159.11729	4.0
161.13297	3.2
163.14752	1.9
165.12804	4.9
173.13225	4.8
175.11166	14.5
187.14885	2.1
193.12253	51.4
211.13280	90.2
211.72281	2.0
227.20103	3.0
243.21152	2.7
261.22073	9.8
267.15884	19.8
269.17883	2.2
285.16956	85.5
317.24762	2.1
335.25797	88.0
336.26239	2.0
354.74530	2.4
364.65222	2.2
374.65985	2.2
386.45847	2.2
435.32098	2.8
527.37250	11.8
545.38312	100.0
546.38666	3.3
746.87585	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01868	13.5
55.05513	24.5
55.05763	3.8
57.03440	12.1
61.02922	8.1
65.03932	2.9
67.05504	46.2
69.03424	23.1
69.07063	48.9
70.06583	6.5
71.04992	10.9
73.02917	3.1
75.04519	3.3
77.21130	2.5
79.05493	43.9
81.03411	36.2
81.07054	52.2
83.04977	16.7
83.08615	9.9
84.08139	3.6
85.02902	26.5
85.06541	7.1
86.09713	3.9
91.03941	3.4
91.05482	37.5
93.07037	48.1
94.06584	3.3
95.04962	20.6
95.08609	42.5
97.02894	16.5
97.06531	21.5
97.10178	8.7
99.04465	9.6
99.08102	3.6
103.03953	3.5
105.07030	33.0
107.04952	48.8
107.08585	31.9
109.02856	22.3
109.06513	17.7
109.10161	21.3
111.04422	24.2
111.08099	4.2
113.05995	6.3
115.07517	3.9
117.07026	10.6
119.08588	27.2
121.02915	3.6
121.06492	9.6
121.10133	20.6
123.04453	3.0
123.08060	12.3
125.02341	5.8
125.09623	8.2
127.03903	22.6
129.07013	9.1
131.04942	4.9
131.08565	17.2
133.06516	8.5
133.10127	20.3
135.04457	3.4
135.08044	12.8
135.11716	12.0
137.05988	7.5
137.09647	9.2
139.11118	3.5
143.08566	9.8
145.04982	7.7
145.06404	3.1
145.10085	15.4
147.04442	3.8
147.08012	7.2
147.11687	11.4
149.05928	4.1
149.09589	21.1
149.13214	5.4
151.03864	3.8
151.07535	3.2
151.11179	4.7
153.09106	8.1
155.10664	2.6
157.06502	2.7
157.10124	8.9
159.08067	4.6
159.11694	9.4
161.09613	9.8
161.13336	4.0
163.03876	6.5
163.06042	5.3
163.07487	2.9
163.11180	3.8
165.05577	2.7
165.06992	4.0
165.09172	4.0
165.12805	3.0
167.07057	5.3
171.08052	3.2
171.11717	7.2
173.09590	4.5
173.11722	3.8
173.13220	3.9
175.03828	3.2
175.11182	11.1
177.12794	5.4
179.10698	5.0
181.08655	3.5
181.10165	4.6
187.11191	6.1
189.11191	5.5
193.12230	3.2
195.13783	4.9
199.11224	8.5
203.12782	4.1
203.17899	2.6
217.12303	6.1
217.19569	3.5
221.15424	4.4
233.11781	3.2
243.21051	5.8
249.14925	3.3
255.17484	4.3
261.22073	3.4
263.20154	4.1
269.17572	10.1
273.18512	22.9
279.23248	11.6
281.59253	2.8
282.85666	2.5
289.17947	5.1
291.19525	100.0
297.24249	30.6
309.20663	22.4
313.11688	3.2
315.19586	8.1
315.25366	7.6
323.14774	3.1
325.66107	2.9
333.81537	2.4
341.16147	3.7
365.23285	5.9
381.20587	4.8
399.21954	4.4
405.26447	4.9
417.22702	23.3
435.23676	27.4
441.28537	7.5
453.24844	8.7
527.28607	4.7
742.39874	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01864	2.0
55.05513	4.7
57.03421	1.2
61.02912	2.0
65.03938	1.6
67.05506	9.2
69.03431	6.0
69.07056	1.9
69.87348	4.1
71.04986	0.7
73.02892	0.7
79.05495	8.6
81.03410	2.8
81.07069	5.4
83.04961	1.4
83.08612	1.2
85.02906	10.2
87.04508	0.7
91.05481	7.0
93.07048	5.6
93.91236	0.6
95.04980	1.3
95.08597	2.9
97.02882	4.0
97.06505	1.2
97.10146	1.7
98.20696	0.7
99.04432	1.1
105.07039	7.7
105.97525	0.7
107.04917	1.6
107.08591	7.1
109.02849	2.2
109.06519	0.8
109.10146	1.8
117.07017	2.4
119.08611	4.8
121.02863	28.8
121.06502	0.6
121.10132	3.3
125.09636	1.0
127.03870	1.1
131.08589	2.2
133.10101	3.5
137.02361	0.8
145.10117	2.5
147.04385	2.5
147.11710	1.6
153.01837	3.2
159.11696	0.9
165.01848	3.4
169.06398	0.9
173.06003	0.9
179.03409	0.9
183.02945	3.8
189.01868	0.9
189.11256	2.0
197.05965	2.4
201.05580	1.7
203.03340	0.8
219.06459	0.7
225.05458	1.1
229.05066	0.9
243.06529	5.9
251.07320	0.7
257.19022	2.2
267.06308	1.1
271.05954	2.7
275.20074	9.5
283.05930	5.4
286.04666	1.4
287.05505	18.9
287.08667	0.7
295.06244	0.9
297.07465	0.9
299.05499	100.0
300.06046	3.6
303.04849	0.7
309.07724	0.9
310.04468	0.9
311.05591	7.5
311.09030	1.2
313.03769	1.0
313.06970	4.6
315.04987	1.3
321.07602	1.0
323.05539	13.8
323.09055	1.2
324.06302	2.0
325.07016	5.2
327.05099	0.9
327.08652	1.6
337.07010	4.2
339.08670	1.1
344.08072	0.7
349.07239	1.0
350.07816	0.9
351.08557	1.7
353.10080	6.7
363.08685	4.4
364.09204	1.4
377.10095	0.9
391.11874	0.9
405.13257	2.3
407.14813	3.5
410.45041	0.7
423.14282	2.6
435.14352	13.4
441.15442	15.9
442.15570	1.1
453.15417	32.4
454.15527	1.3
465.16412	0.8
471.16534	16.2
493.19019	0.8
543.23792	16.5
561.24805	21.9
562.25043	1.7
579.17859	1.1
579.25977	13.5
702.61591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01862	1.9
55.05509	3.7
57.03435	1.3
57.07055	0.7
61.02923	1.5
65.03922	1.8
67.05505	13.7
69.03426	5.0
69.07050	3.1
71.57753	1.4
78.82283	0.9
79.05489	6.1
81.03400	2.7
81.07066	5.0
83.08614	1.4
85.02905	11.1
91.05474	5.8
93.07047	5.8
95.04975	1.8
95.08599	4.7
95.72588	0.8
97.02886	3.8
97.06522	1.0
97.10178	1.5
99.04457	1.4
105.07008	5.1
105.23870	0.7
107.04955	1.4
107.08585	8.9
109.02885	1.0
109.10149	3.0
117.07011	1.6
119.08572	3.0
121.02861	14.9
121.10121	1.9
125.09628	1.3
127.03904	1.8
131.08537	2.4
133.10150	2.3
135.08075	1.0
141.01872	0.8
143.08665	1.1
145.10162	1.3
147.04404	2.7
147.11711	1.4
153.01822	2.1
161.02321	1.0
161.05966	0.9
165.01895	1.4
173.11766	0.7
181.12141	0.8
183.02908	2.4
189.11232	3.4
197.05896	0.9
201.05441	1.0
203.03415	0.9
213.81197	0.7
232.83771	0.8
237.99911	0.8
243.06425	2.4
257.18906	1.1
267.06509	1.2
271.06003	2.7
275.20056	9.6
281.07965	1.4
283.06046	1.8
287.05466	13.1
295.06021	3.5
297.07281	1.0
299.05502	100.0
300.05847	3.0
309.07538	1.7
311.05533	5.1
313.07071	2.9
323.05515	7.1
323.08795	1.5
324.06262	1.4
325.06995	6.2
327.08578	4.2
337.06998	5.4
342.76379	0.9
349.06961	1.1
351.08597	1.9
353.10162	2.6
363.08661	3.8
389.10019	1.0
403.11407	1.0
405.13324	13.1
407.14859	5.9
417.13181	0.8
419.14050	0.9
423.14380	7.8
435.14340	18.2
441.15488	13.1
447.14481	1.1
451.13910	7.2
453.15500	14.4
465.15347	2.3
469.15051	2.3
471.16016	1.8
507.20557	1.9
543.16223	1.0
543.23804	13.8
549.29254	1.0
561.24805	30.0
562.24933	1.9
579.25861	38.3
580.26563	1.6
757.34760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01870	1.4
55.05516	4.5
57.03415	2.2
61.02919	1.4
65.03937	2.6
67.05510	31.1
69.03426	5.5
69.07073	5.8
71.04984	2.2
71.19304	1.1
71.19633	0.9
73.02898	0.8
79.05501	10.4
81.03419	3.4
81.07062	9.0
83.04984	1.3
83.08627	0.9
85.02911	10.9
87.04463	0.7
91.05482	8.2
93.07050	10.3
95.04948	3.2
95.08608	10.4
97.02914	4.0
97.10167	1.5
99.04455	0.9
102.95194	0.7
105.07035	7.6
107.04961	4.9
107.08577	3.8
109.02874	1.2
109.06562	0.9
109.10162	5.3
111.00768	0.6
111.04443	0.7
117.07003	1.7
119.08576	5.4
121.02000	1.1
121.02874	20.6
121.10147	3.6
123.08072	1.0
123.11739	0.7
125.09676	0.7
127.03928	2.0
129.06989	0.8
131.08531	2.6
133.10149	3.8
135.08031	3.0
137.09633	1.2
139.11198	1.4
145.04968	1.0
145.10152	2.3
147.04413	2.3
147.11693	1.4
149.02357	0.9
149.09619	1.3
153.01852	4.2
159.11687	1.3
163.03902	0.9
165.01796	4.0
173.06090	0.7
179.03342	0.8
183.02875	2.8
183.13956	0.7
189.01709	0.7
189.05415	0.8
197.05984	1.8
201.05563	1.4
203.03568	1.1
203.12773	1.6
213.05482	1.2
225.05424	0.7
228.20908	0.7
229.05052	0.9
241.05090	1.0
243.06581	4.7
257.19073	1.3
258.05283	1.7
267.06445	1.0
271.06064	3.2
275.20059	12.3
283.06046	2.3
286.04669	1.2
287.05515	67.4
288.05789	1.3
293.21109	4.1
299.05511	100.0
300.06097	3.3
311.05481	3.1
313.03519	1.5
313.07074	3.4
315.04916	1.3
316.05301	1.1
317.05582	0.9
323.05487	6.3
324.06308	1.2
325.03424	2.7
325.07108	7.3
327.05212	1.1
327.08698	5.0
329.06519	1.3
337.07059	5.8
339.08563	1.6
349.07104	1.1
351.08502	1.2
363.08542	1.7
395.14813	1.5
405.13202	1.1
407.15045	1.3
423.14426	15.2
435.14392	6.8
441.15488	17.1
451.13852	3.1
453.15451	10.7
465.15533	6.2
479.16492	1.0
507.20404	1.5
533.25433	1.4
543.23743	6.2
553.75531	0.7
561.24835	32.4
562.24872	1.8
579.25885	42.6
580.25934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01856	0.6
55.05507	1.3
57.03418	0.5
57.99220	0.2
61.02905	0.4
65.03933	0.4
67.05502	2.0
68.99781	0.5
69.03429	1.3
69.07061	0.7
71.04966	0.4
71.38102	0.6
79.05486	4.2
81.03390	0.8
81.07052	1.5
83.04982	0.3
83.08595	0.9
85.02894	3.5
85.06482	0.2
91.03904	0.3
91.05474	3.0
93.07041	1.3
95.04973	0.6
95.08612	1.3
97.02881	1.5
97.10149	1.1
105.03349	0.5
105.07022	3.3
107.04936	0.5
107.08585	8.3
109.02895	0.7
109.10147	0.7
111.00826	0.7
117.07006	0.6
119.08586	1.6
121.02862	4.3
121.03712	0.4
121.06466	0.3
121.10114	0.7
125.09594	1.2
127.03925	0.6
129.06958	0.3
131.08527	1.0
133.02808	0.7
133.10126	1.4
135.07950	0.3
135.11678	0.4
137.02295	0.7
145.04936	0.7
145.10143	1.2
147.04390	0.7
147.11668	1.1
153.01813	4.4
159.11664	0.4
161.05989	0.3
165.01808	2.1
171.11734	0.4
173.11723	0.6
173.13206	0.3
183.02919	1.1
185.05870	0.3
189.11147	1.8
197.05923	0.4
203.07144	0.2
213.05453	1.5
229.04909	0.3
231.06488	0.9
239.17952	0.4
241.05046	0.7
257.18979	0.8
258.05179	1.3
259.06055	0.3
269.04330	0.4
275.20023	6.2
276.20728	0.3
283.05957	1.2
285.03964	0.3
286.04672	0.4
287.05472	100.0
288.05795	2.4
299.05472	5.9
300.05844	0.3
310.04794	0.3
311.05499	0.7
311.09128	2.0
313.07144	0.3
323.05542	0.6
325.06964	0.3
327.08688	0.9
339.08630	6.8
339.12695	0.4
340.08801	0.3
351.08789	0.6
353.09940	0.6
363.08411	0.6
375.08105	0.3
377.10175	0.5
405.12912	0.4
417.13113	0.3
435.14218	0.5
441.15662	0.3
453.15274	0.7
471.16434	0.4
511.40488	0.3
543.23853	3.1
561.24707	4.9
562.24957	0.4
579.26062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.05500	3.7
57.03441	1.0
61.02935	1.5
63.73007	0.8
65.03924	1.6
67.05493	4.9
69.03426	3.6
69.07056	3.1
70.02907	2.0
70.03300	2.2
73.02915	0.9
79.05502	5.3
81.03419	2.3
81.07047	6.7
83.08617	1.5
85.02906	8.8
91.05473	7.9
93.07050	5.2
95.04970	2.1
95.08588	4.1
97.02867	3.2
97.06541	0.9
97.10169	1.0
103.05421	1.1
105.03335	1.1
105.07021	7.1
106.07368	1.0
107.04967	1.7
107.08576	3.2
109.02866	1.2
109.10149	2.3
111.04412	1.1
117.07019	3.0
119.04939	1.3
119.08598	6.1
121.02858	26.7
121.10110	1.2
127.03943	1.1
131.08517	2.3
133.06508	1.5
133.10130	3.1
135.04428	0.9
135.11615	1.0
137.02394	1.5
143.08618	1.2
145.10100	2.4
147.04410	2.6
147.11679	2.7
148.84262	0.9
159.11725	1.2
161.05986	0.9
162.32912	0.9
163.03906	1.7
165.01823	3.3
173.05972	2.1
175.03943	1.2
179.03458	1.1
183.02899	4.3
193.04944	1.2
197.05922	2.2
201.05499	2.8
217.65714	0.8
225.05501	1.2
229.04956	5.1
243.06558	5.3
257.19012	2.2
265.45544	0.9
271.06015	1.5
275.19949	5.2
283.06094	1.2
287.05499	8.1
299.05484	100.0
300.05911	2.7
309.07483	2.0
311.05450	3.4
313.07007	3.1
321.07321	1.2
323.05463	3.7
325.07053	3.3
327.08585	1.3
337.06931	2.1
341.06458	1.6
341.10260	1.1
349.07031	1.4
351.08475	4.1
353.10193	8.0
361.07043	1.6
363.08636	11.3
364.09357	5.9
365.10059	1.7
375.08612	2.4
377.10220	3.6
378.10971	1.0
379.11624	1.5
389.10300	1.6
399.16772	1.8
403.11542	2.5
405.13361	1.5
417.13336	2.4
457.34076	0.9
475.17142	1.0
487.17856	1.4
491.17139	1.1
492.17630	1.6
543.23743	27.7
544.23840	1.2
561.24823	62.9
562.25018	2.5
579.24854	1.4
680.47656	1.0
741.37549	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.45018	0.2
55.01873	0.4
55.04712	0.2
55.05512	1.3
57.03420	0.3
60.09811	0.2
61.02912	0.6
61.13784	0.2
65.03930	0.3
66.84351	0.2
67.05507	1.6
68.99788	0.7
69.03432	1.5
69.07060	0.6
71.04996	0.3
71.58096	0.3
79.05486	3.0
81.03403	0.8
81.07056	1.2
83.08602	0.6
85.02912	2.4
91.05473	2.6
93.07056	1.2
95.04969	0.5
95.08604	1.4
97.02882	1.0
97.06509	0.5
97.10155	0.8
103.05429	0.3
105.07028	2.6
107.04983	0.4
107.08593	5.7
109.02871	0.2
109.06497	0.4
109.10146	0.8
111.00779	0.7
117.07002	0.7
119.08563	1.0
121.02865	3.5
121.10151	0.5
125.09621	0.7
127.03896	0.7
131.08527	0.6
133.02805	0.4
133.10123	0.9
135.11661	0.3
137.02304	0.9
141.07097	0.2
145.04929	0.5
145.10098	0.8
147.04347	0.6
147.11710	0.9
153.01846	3.9
157.06476	0.4
159.11696	0.4
161.05974	0.4
163.03954	0.4
165.01767	1.6
173.11703	0.4
181.12360	0.3
183.02910	1.2
185.05931	0.6
189.11217	1.1
208.64780	0.2
213.05484	1.3
231.06548	0.8
239.25903	0.3
241.04961	1.0
257.19028	0.5
258.05225	1.1
259.06180	0.4
275.20047	3.3
276.20499	0.3
283.05951	1.1
287.05487	100.0
288.05807	2.2
299.05457	1.2
303.04944	0.3
310.04865	0.4
311.05734	0.4
311.09119	1.9
324.06223	0.3
339.08603	7.0
351.08377	0.5
543.23901	1.3
561.24841	2.0
738.33228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2233
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03933	0.3
55.01871	0.3
55.05500	0.8
57.03434	2.3
61.02934	0.5
67.05482	0.4
68.99789	0.5
69.03416	1.9
69.53316	1.7
69.54745	0.2
70.06570	0.3
71.01352	0.3
71.04993	13.6
73.02911	1.4
75.04474	1.0
79.05494	0.4
81.03406	0.7
83.04981	3.5
85.02902	17.4
87.04441	0.4
95.04943	0.7
97.02879	1.3
99.04440	0.9
101.06004	0.4
107.04950	0.5
109.02884	0.7
111.00786	0.2
111.04449	3.0
113.06028	0.7
114.63320	0.3
116.93977	0.2
117.05473	0.6
121.02852	2.3
121.06523	0.4
127.03894	0.9
129.05476	5.2
136.38318	0.2
137.02345	0.4
145.04971	0.7
145.06425	0.3
147.04427	0.5
147.06491	2.2
151.03880	0.5
153.01817	2.6
153.05464	0.9
163.06033	0.7
165.01837	1.4
167.07091	0.5
171.06625	0.3
183.02863	0.8
183.06606	0.3
193.39612	0.2
194.77316	0.2
213.05476	0.8
229.05199	0.3
231.06523	0.6
239.09175	1.1
241.04974	0.5
258.05234	0.7
259.05994	0.4
275.11325	0.4
287.05487	100.0
288.05884	1.3
288.25497	0.3
299.05533	0.9
329.06479	1.5
330.78638	0.3
353.06342	0.6
379.08072	0.3
397.08801	0.7
415.09961	0.4
433.11349	1.1
449.10760	0.9
578.31927	0.3
594.20319	0.3
635.50330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01858	4.0
55.05504	16.5
57.03439	11.6
57.07062	1.7
65.03931	2.3
65.54343	1.5
65.65227	1.4
67.05501	49.4
69.03410	1.4
69.07067	13.8
71.04962	4.0
71.32141	3.0
73.02911	2.0
79.05484	43.1
81.03410	2.7
81.07048	44.6
81.07529	2.9
83.04964	5.5
83.08623	9.8
85.02890	1.5
91.05467	20.1
93.07036	55.8
95.04969	7.4
95.08599	57.3
97.02869	4.0
97.06518	5.3
97.10143	2.0
99.04439	4.8
105.07030	12.5
107.04939	8.9
107.08587	41.6
108.08943	1.5
109.06506	2.4
109.10149	13.1
111.08093	1.9
117.06995	11.7
119.08557	14.6
121.06514	7.2
121.10136	21.4
123.08045	1.3
123.11681	3.8
125.06002	3.8
127.21544	1.1
130.07716	1.4
131.08542	6.1
133.10127	5.3
135.08014	3.1
135.11676	59.3
136.11971	2.5
137.13213	1.8
139.07545	2.5
145.09033	2.5
145.10124	32.5
147.11635	2.4
149.13303	2.4
159.11711	1.7
161.13341	1.8
163.11166	61.9
164.11507	2.0
173.13187	3.0
181.12228	11.0
215.17957	1.4
227.12756	92.8
243.20969	1.4
261.22086	11.5
283.15372	100.0
284.15796	3.0
335.25766	98.9
336.26114	4.4
359.34222	1.5
414.99762	1.3
518.24408	1.8
543.36786	92.0
544.36993	6.2
576.56866	1.4
691.24243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
54.15301	0.9
55.01868	3.8
55.05510	14.0
55.32156	0.9
56.49693	0.9
57.03429	8.0
65.03935	2.3
67.05502	42.7
69.03439	2.2
69.07066	12.9
69.60571	6.7
71.04989	2.7
73.02910	1.6
79.05489	38.6
81.03429	2.9
81.07053	40.9
83.04990	3.9
83.08619	8.9
85.02890	1.4
85.06562	1.2
91.05467	16.8
91.27387	1.0
92.11353	1.0
93.07038	54.5
95.04955	9.3
95.08602	53.5
97.02902	4.1
97.06537	4.8
97.10183	1.0
99.04458	3.3
105.07026	11.7
107.04960	7.6
107.08588	36.7
107.12920	1.1
109.06523	3.5
109.10162	11.0
111.04444	1.0
111.08077	2.0
115.05418	1.3
117.07011	9.4
119.08580	17.1
121.06516	5.4
121.10146	18.5
123.11708	2.5
125.05985	3.2
130.07794	1.6
131.08566	4.1
133.10130	5.1
135.08084	2.1
135.11682	47.6
139.07568	2.3
143.08533	1.9
145.10115	28.1
147.11717	2.3
149.13264	2.8
159.11694	2.1
161.13281	2.5
163.11168	55.3
163.14798	1.8
173.13190	1.7
181.12244	13.6
187.14900	1.3
209.11819	1.6
227.12767	89.6
228.13100	1.9
243.21072	2.6
261.22205	10.1
283.15375	100.0
284.15775	2.2
317.24799	3.0
335.25778	97.8
336.26123	3.3
353.09680	1.1
402.15131	1.1
538.66498	1.2
543.36792	86.0
544.37128	5.2
655.61548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	3.3
55.01848	8.8
55.05508	23.5
55.51369	2.3
57.03428	14.7
61.02913	4.5
67.05504	45.7
69.07051	12.8
69.40675	24.1
69.41078	3.6
69.61423	2.5
79.05495	34.5
81.03404	8.8
81.07050	47.1
83.01322	8.2
83.04980	14.0
83.08613	19.2
85.02880	7.7
86.09669	3.5
91.05484	23.1
93.07038	50.6
95.04947	8.7
95.08596	31.1
97.02872	3.6
97.06503	4.5
97.10138	3.5
98.20736	5.3
105.07055	17.4
107.04928	9.2
107.08584	26.9
109.06512	7.9
109.10137	13.2
110.08855	3.1
117.06999	9.0
119.08592	15.8
121.06512	4.1
121.10151	13.4
123.08041	7.3
123.11642	4.1
125.09618	3.7
127.38023	2.7
129.06973	4.7
131.08549	10.6
133.10139	9.2
135.11665	16.2
145.10088	13.2
147.11620	5.7
149.13210	6.2
153.12753	5.3
159.11674	5.0
161.13217	5.7
163.11183	23.3
173.13246	3.4
181.12065	3.0
184.07262	4.4
191.10721	3.3
200.35550	2.8
209.11618	7.6
225.96896	3.1
227.10681	3.1
227.12756	12.1
250.25645	2.9
261.22055	14.1
283.15396	100.0
283.18521	5.0
299.23932	3.3
317.24774	3.7
335.22110	4.8
335.25812	63.9
370.95538	2.8
451.32852	3.5
469.32837	5.1
543.36902	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01861	6.2
55.05508	19.7
57.03430	12.9
57.07074	2.8
57.49287	1.9
61.02916	4.0
65.03933	3.3
66.08700	2.0
67.05499	42.9
69.03416	2.5
69.07061	10.4
69.89252	5.1
69.89656	11.0
71.05014	2.4
79.05493	32.4
81.03416	7.1
81.07053	47.6
83.01330	8.0
83.04962	10.1
83.08614	13.3
85.02889	7.8
87.09110	2.3
91.05474	22.8
93.07041	48.4
95.04947	11.3
95.08601	29.3
97.02882	5.4
97.06506	6.4
97.10160	5.2
99.04489	2.1
103.05447	2.7
105.07020	13.6
107.04944	4.2
107.08590	28.5
109.06502	7.5
109.10157	14.0
117.07011	8.2
119.08576	17.7
121.06476	2.6
121.10136	19.0
123.08083	3.8
123.11712	4.8
124.88564	2.0
125.09645	2.4
131.08591	11.7
133.10121	8.1
135.11659	19.3
145.10124	18.1
147.11652	7.9
149.13231	5.3
159.11664	5.0
161.13246	2.8
163.11157	19.1
163.14789	4.3
167.41487	2.0
173.09627	2.8
173.13199	5.6
181.12213	3.7
209.11736	7.7
227.12781	8.9
243.21072	5.3
259.20557	3.8
261.22174	19.4
283.15372	88.7
284.15683	2.8
299.23782	3.4
317.24722	7.1
330.20584	2.3
333.24139	3.0
335.25766	100.0
348.21643	3.8
525.36108	3.4
543.36774	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.8
55.01849	1.6
55.05508	4.3
57.03405	1.4
58.38085	0.7
61.02891	1.3
65.03911	1.0
66.04720	0.6
67.05499	7.8
69.03439	3.5
69.07063	4.1
71.04964	1.2
71.58446	1.1
79.05490	6.4
81.03375	2.6
81.07056	7.9
83.08583	1.3
84.55721	0.7
85.02904	9.2
91.05480	11.3
93.07042	6.1
95.04909	2.1
95.08601	4.7
97.02892	3.9
97.06512	1.0
103.05442	0.9
105.07036	10.3
107.01316	0.9
107.08573	3.8
107.18040	0.7
109.02827	1.2
109.10121	1.7
115.05412	0.7
117.07034	4.8
119.07944	0.6
119.08582	6.5
119.80578	0.6
121.02795	1.5
121.10104	2.0
123.04411	1.4
123.11652	0.8
127.03870	2.3
127.81036	0.7
129.06992	1.4
131.08565	5.4
133.06430	0.7
133.10139	4.1
135.11667	1.1
137.02344	31.7
137.03403	1.2
141.06894	0.8
143.08531	0.8
145.04906	0.8
145.06450	0.8
145.10074	3.5
147.11618	3.0
149.02293	1.7
149.05975	1.4
149.09628	1.0
151.07425	0.7
153.01776	2.6
155.08521	0.7
157.10056	0.9
159.11641	2.5
161.02229	0.9
161.05984	0.9
161.13254	0.9
163.03859	2.8
165.01863	3.7
171.11696	1.0
173.13275	1.1
175.14740	0.8
177.01854	0.8
179.03452	0.8
183.02892	3.7
187.03813	1.8
189.05426	2.1
191.03300	0.8
199.03915	1.3
201.05418	1.4
203.03371	1.2
213.05394	1.6
217.04988	4.3
219.03143	0.8
227.03429	0.9
229.05005	3.5
231.06511	1.1
237.05385	1.0
241.04956	2.3
243.06505	1.1
245.04449	2.4
257.19012	1.6
259.06009	2.7
273.03900	1.7
275.20038	6.3
276.20758	2.1
287.05447	2.5
297.07336	1.1
299.05475	2.9
301.03061	1.0
302.04199	1.6
303.04990	14.9
311.05725	0.8
315.04980	98.2
316.05319	2.3
325.07031	0.9
327.04965	4.5
327.08313	0.8
329.03027	1.3
329.06522	4.3
337.07132	1.2
339.04965	4.7
341.06668	7.3
343.08176	4.6
351.08740	1.2
353.06512	3.1
355.08090	3.5
363.08411	1.1
365.06485	3.6
366.07449	1.4
367.08066	4.1
369.09689	12.3
377.06366	1.6
379.08151	14.5
380.08838	4.2
381.09637	2.3
391.08014	2.3
393.09702	5.8
394.10669	1.2
395.11191	3.4
405.09680	2.1
407.11139	2.4
419.11093	4.3
421.05710	1.8
421.12799	2.0
433.12936	2.9
435.14331	1.1
447.14453	1.6
465.15576	1.0
491.16962	2.0
503.16989	1.1
508.17148	2.1
509.17618	1.0
517.11310	1.4
531.23676	1.6
559.23242	44.8
560.23413	2.3
577.24316	100.0
578.24329	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01846	1.1
55.05515	2.2
57.03416	0.7
61.02914	0.5
65.03916	0.7
67.05505	3.6
68.99775	0.6
69.03432	1.9
69.07067	1.5
71.04974	0.5
71.58408	0.4
73.02879	0.4
79.05488	3.5
81.03411	1.6
81.06654	0.4
81.07054	3.8
83.04921	0.3
83.08604	0.4
85.02899	4.6
87.04440	0.3
91.03930	0.4
91.05477	4.5
93.06472	0.5
93.07034	4.2
95.04951	1.6
95.08605	2.5
96.86858	0.3
97.02895	2.5
97.06506	0.4
99.04410	0.4
105.07023	3.4
107.04942	0.5
107.08612	2.8
109.02838	0.9
109.06486	0.4
109.10116	0.5
117.03412	0.3
117.07014	0.8
119.08568	2.7
121.02827	1.5
121.06450	0.6
121.10115	1.3
123.04410	0.6
127.03883	1.4
129.06995	0.5
131.04935	0.4
131.08568	0.6
131.59459	0.3
133.10136	1.7
135.04393	0.4
135.11780	0.4
137.02341	9.9
137.03392	0.8
141.01830	2.9
143.08562	0.5
145.04921	0.4
145.10086	0.7
147.04391	0.6
147.11673	0.4
149.02306	0.6
149.05908	0.9
153.01817	0.3
157.10036	0.4
159.11650	0.4
161.02353	0.5
161.05962	0.6
161.13193	0.6
163.03912	2.6
165.01811	1.9
171.04375	0.5
173.13330	0.5
175.03748	0.5
177.01712	0.4
177.05482	0.6
179.03421	0.4
183.02887	2.9
185.05952	0.6
185.13202	0.5
187.03929	0.5
187.59258	0.3
191.03328	0.6
193.05028	0.4
199.03908	0.4
201.12830	0.4
203.03340	0.5
205.04857	0.5
213.05388	0.9
217.04771	0.6
221.15388	0.4
229.04968	0.5
241.04987	2.4
257.19025	0.8
259.06030	0.9
261.03973	0.4
267.06406	0.4
269.04266	0.6
275.20044	1.0
287.05533	1.2
297.07697	0.4
299.05588	1.2
302.04166	1.4
303.04956	2.9
309.07498	0.4
311.05524	0.6
315.04971	71.9
316.05319	1.6
323.09256	0.4
325.07108	0.6
327.04941	1.2
327.08514	0.7
329.06534	4.0
339.05008	1.2
340.05655	0.7
341.06567	3.9
343.08112	100.0
344.08466	1.7
353.06506	1.1
354.02847	0.4
355.08072	3.6
357.09583	1.0
367.08096	1.5
369.09756	3.5
379.07993	2.4
381.09668	1.8
393.09619	2.1
395.11395	2.1
399.87827	0.4
405.09888	0.6
407.11240	2.5
419.11163	1.4
421.13013	0.7
433.12839	0.9
447.14413	0.7
457.14661	0.4
458.08102	0.4
483.16537	1.6
531.23401	0.6
541.22052	1.5
559.23297	12.6
577.24316	20.0
578.24744	0.6
609.29810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07073	0.1
56.04980	0.2
57.03425	0.2
58.50277	0.2
59.06104	0.5
60.66042	0.2
67.05513	0.5
70.06592	0.3
70.78939	0.3
70.79287	0.4
75.80552	0.2
79.36264	0.2
80.94844	0.5
81.07049	0.3
82.94563	0.7
85.07657	0.4
86.09734	0.2
93.07040	0.3
95.08646	0.2
104.99264	3.7
104.99920	0.3
109.10176	0.2
110.07159	0.6
112.05190	0.2
112.08755	0.3
119.07773	0.2
124.08656	0.2
134.07138	0.2
136.08716	0.3
137.08191	0.3
138.10223	0.3
140.24925	0.2
156.96399	0.2
164.92020	1.7
186.99530	1.0
203.05315	0.5
212.47734	0.2
244.95576	0.4
246.92371	0.5
246.95183	0.5
268.99854	1.1
306.27914	0.3
329.00497	0.2
484.32388	2.8
494.31104	0.3
576.49854	0.3
597.48718	0.3
675.23962	0.2
738.54816	100.0
739.55243	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.4
67.05500	1.0
69.03439	1.1
69.07057	1.5
70.42800	0.6
71.57766	1.2
79.05518	0.8
79.61398	0.8
81.03423	1.6
81.07046	3.1
84.90319	0.6
85.02916	1.5
91.05480	1.9
93.07048	1.9
95.04991	0.8
95.08624	1.4
105.07051	1.4
107.04964	1.2
107.08635	1.0
109.10184	1.6
111.04497	0.7
119.08619	1.2
121.10137	1.3
127.03918	0.9
133.10129	0.8
135.04413	0.8
135.11748	0.7
145.10176	0.7
159.11584	0.7
161.05954	0.9
163.03865	1.0
181.05022	0.9
203.05382	1.2
259.07965	2.2
277.08862	1.4
297.77658	0.6
347.09283	1.2
365.10751	2.6
388.54706	0.7
407.23761	1.1
421.13058	0.9
423.52072	0.7
457.20334	4.1
471.21967	4.6
487.21536	0.9
508.59018	0.7
511.25079	0.9
569.29272	13.6
619.26752	1.0
633.27527	2.1
674.10608	0.8
731.34613	100.0
732.34894	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01865	9.4
55.05514	26.4
57.03436	25.6
57.07072	4.0
61.02925	32.1
62.99681	3.6
65.03921	5.5
67.05171	6.6
67.05501	76.8
69.03413	19.4
69.07063	35.3
69.91767	11.4
69.92182	12.1
71.04961	10.3
73.02905	17.8
76.44174	3.9
76.77869	4.3
79.05061	6.8
79.05489	80.9
81.03400	16.6
81.07052	100.0
83.04974	17.7
83.08613	18.9
85.02904	48.2
87.36745	4.1
88.38512	3.8
91.03934	28.9
91.05479	71.9
93.07034	90.9
95.04962	21.5
95.08600	46.0
97.02904	33.1
97.06538	24.8
97.07067	4.6
97.10168	8.4
99.04441	9.0
99.08092	4.7
105.07033	68.2
107.04917	7.4
107.08584	52.4
109.02872	6.4
109.06499	7.4
109.10140	24.0
111.04403	4.4
111.08082	7.3
113.09666	5.4
115.05462	6.2
117.06990	22.1
119.08584	48.7
121.06515	10.2
121.10126	35.6
123.08028	7.5
123.11717	6.6
125.09624	6.3
127.03874	18.6
129.05453	4.7
129.07002	9.0
131.08557	34.4
133.10133	52.3
135.08012	5.2
135.11702	35.3
137.09590	5.9
143.08571	12.3
145.04942	15.4
145.10106	24.9
147.11699	37.3
149.09602	13.5
149.13264	25.3
151.11209	8.1
157.10124	9.2
159.11676	28.8
161.13199	22.7
163.05994	9.4
163.07524	4.5
163.11185	13.2
166.72084	4.1
171.11682	15.8
173.13245	13.8
175.14874	10.9
177.12730	10.0
185.13246	11.8
187.14874	6.4
189.12709	6.1
195.13777	12.1
196.70268	4.0
197.13307	4.9
199.14809	8.6
241.19518	21.5
247.20692	4.4
257.19016	7.9
259.20609	46.4
259.79791	3.9
269.17471	92.1
275.19989	15.6
277.21497	8.9
281.17673	4.8
315.39746	4.4
333.23978	7.4
349.23849	25.4
351.25305	82.2
367.24579	6.3
382.12112	4.2
400.89014	4.7
441.26208	5.0
483.45792	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01862	2.6
55.05504	13.5
57.03430	9.9
67.05505	21.4
69.03425	5.0
69.07041	4.6
70.06843	7.5
71.04971	4.1
74.02147	1.4
79.05490	19.4
81.03415	78.3
81.07061	19.9
83.04987	9.0
83.08613	20.9
85.02903	10.2
91.04960	2.9
91.05478	27.4
93.07037	16.1
95.04967	25.5
95.08605	8.1
97.02900	4.7
97.06518	3.8
97.10165	5.3
105.07032	21.3
107.04947	7.4
107.08598	9.2
109.06506	6.8
109.10142	5.5
111.08073	6.1
117.07008	4.2
119.04854	1.9
119.08591	13.2
121.06477	5.0
121.10135	7.8
123.04379	2.5
123.08064	4.1
125.09638	3.6
129.06996	8.7
131.08556	13.5
133.06503	2.5
133.10112	9.8
143.08580	2.6
145.06543	2.8
145.10130	4.0
147.08073	5.1
147.11649	8.2
149.09627	5.5
151.07535	2.0
157.10124	12.1
161.05986	2.0
163.11104	2.5
175.11179	11.6
193.12210	28.7
203.07076	2.1
211.13246	17.4
229.14359	3.5
233.15105	2.1
249.14799	2.9
255.13774	2.5
267.15915	100.0
285.16891	16.4
349.21323	3.0
367.22818	9.6
385.23660	13.9
403.24820	2.5
415.24689	2.4
433.25995	13.3
441.26190	5.3
459.27377	75.0
477.28427	44.8
517.86926	2.0
558.31384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01881	7.0
55.05506	11.7
56.96561	5.7
57.03446	7.4
57.07055	1.8
60.20695	1.2
61.02924	5.6
65.03938	3.1
67.05502	34.5
69.03421	5.8
69.07059	9.5
69.35967	6.8
69.36394	5.0
70.06576	1.5
71.04984	4.0
73.02910	3.2
79.05487	21.5
81.03401	6.5
81.07053	37.3
83.04968	9.6
83.08616	4.4
85.02908	8.8
85.06546	4.7
91.03960	1.8
91.05477	34.0
91.06015	2.6
93.07046	22.9
95.04974	7.1
95.08598	14.7
97.02886	4.8
97.06519	2.8
105.07024	31.2
105.07623	0.8
106.07365	1.6
107.04964	5.0
107.08588	25.5
109.02887	1.4
109.06516	5.6
109.10154	35.3
111.04455	2.7
111.08074	2.7
113.06026	1.4
117.07027	5.2
119.04977	1.2
119.08563	8.1
121.02863	9.1
121.06548	2.1
121.10159	5.4
122.03213	3.2
123.04423	1.3
123.08070	3.2
123.11730	7.2
125.05918	1.3
127.03934	2.1
127.07546	3.5
129.06981	2.1
131.08563	10.4
133.06485	6.4
133.10124	49.8
135.08022	4.8
135.11687	3.2
137.09677	2.9
139.03969	1.2
143.08575	3.3
145.04985	1.9
145.10114	3.9
146.99596	2.2
147.08020	2.8
147.11679	2.1
149.09619	6.2
151.11176	24.7
157.10170	1.7
159.08020	1.5
159.11661	2.7
161.09624	5.1
163.06108	1.2
169.12228	3.6
171.11664	2.0
175.11136	1.7
177.09055	2.9
179.10612	1.4
180.96825	1.3
199.11154	1.4
205.32466	1.3
211.02814	1.5
215.12851	2.5
217.07553	1.6
226.05080	1.6
229.07425	9.0
230.07924	2.1
244.09300	1.2
245.19011	2.7
247.08473	8.2
248.08859	3.0
253.14339	87.5
255.09056	2.2
263.20172	2.8
265.11230	2.2
268.09814	1.7
269.10611	2.3
269.13614	2.9
271.15298	8.7
273.18515	14.0
283.12225	9.5
284.12537	4.9
287.05435	3.9
287.11606	1.6
288.05798	2.3
291.19540	14.1
299.05502	16.7
300.05817	12.2
301.13181	3.0
306.13974	1.5
327.08609	10.8
328.08951	9.4
331.15833	2.6
332.16077	2.5
333.17474	1.4
339.08545	1.8
347.22134	8.2
349.06729	1.6
349.16882	4.4
350.17197	2.9
351.18265	2.0
353.10306	1.7
354.10318	1.7
364.08881	2.2
365.23218	100.0
366.23532	2.2
381.19421	45.7
381.24310	2.6
382.19803	42.7
383.24289	2.8
399.20456	4.7
400.20981	3.0
422.22107	3.1
423.22470	2.5
527.28528	3.0
543.23645	2.3
544.24060	11.5
561.24713	5.3
562.25171	21.4
563.25818	2.3
724.42578	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01865	3.7
55.05511	14.4
57.03435	10.9
61.02914	4.4
65.03951	1.4
67.05164	2.3
67.05498	20.5
69.03429	10.0
69.07064	20.0
70.94152	4.0
71.04987	2.1
75.46177	1.4
79.05485	18.9
81.03409	13.2
81.07051	20.1
83.04974	5.2
83.08610	9.2
85.02898	9.0
85.06544	1.8
91.03960	2.1
91.05486	15.4
93.07038	13.7
95.01354	1.4
95.04951	10.0
95.08588	9.3
96.76326	1.3
97.02899	8.3
97.06525	4.1
97.10168	9.3
105.07019	11.7
105.43961	1.4
106.07354	1.4
107.04969	5.8
107.08589	11.1
109.02896	3.1
109.06500	4.2
109.10149	7.4
109.68027	1.2
111.04424	1.9
111.08109	2.3
117.07001	4.0
119.04961	1.3
119.08577	11.0
121.02846	2.6
121.06472	2.2
121.10134	7.0
123.08100	4.5
123.11704	1.6
125.09647	8.3
127.03914	3.6
127.07546	4.2
129.06996	4.0
131.08560	6.8
133.06502	2.9
133.10144	5.6
135.08090	3.7
135.11708	2.2
137.06058	1.5
137.09624	2.0
143.08569	2.2
145.05032	1.3
145.06482	1.9
145.10129	6.0
147.08046	6.2
147.11707	4.3
149.09624	3.0
151.11160	1.6
155.08534	1.7
157.10124	3.5
159.08066	2.1
161.09688	2.4
163.06038	1.4
163.11182	2.2
165.09097	2.0
165.12827	1.6
171.11713	2.7
173.09625	2.3
175.11189	4.0
177.12770	2.7
184.07419	2.2
189.11151	3.8
193.12187	6.3
195.13733	1.6
205.12276	1.8
211.13249	3.6
223.13203	8.4
227.12769	3.0
228.51323	1.5
233.51102	1.5
249.14819	2.0
267.16080	6.6
273.18454	10.3
285.16937	12.5
291.19516	64.2
292.19922	1.4
295.06177	1.5
299.05463	9.0
300.05878	6.0
315.04880	2.2
347.22311	6.9
365.23218	100.0
366.23514	3.1
385.23795	2.0
439.33435	1.4
459.27280	5.4
477.28552	8.3
509.27304	2.4
527.28503	3.9
535.88409	1.7
544.24005	3.5
561.24475	1.9
562.25012	8.9
736.18097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01871	8.9
55.05515	14.1
56.07689	1.4
56.96556	6.4
57.03440	8.1
61.02914	6.4
65.03929	3.0
67.05502	34.7
69.03433	8.1
69.07061	12.0
69.36461	3.0
69.36866	12.7
71.04974	4.3
71.95261	2.0
73.02899	1.8
79.05492	24.8
81.03414	7.9
81.06581	2.5
81.07055	38.8
83.04982	9.4
83.08620	5.8
85.02903	11.9
85.06524	5.9
91.03938	3.7
91.05482	33.5
92.05845	1.9
93.07049	28.9
95.04975	10.7
95.08595	13.6
95.71132	1.5
97.02874	6.0
97.06519	4.4
97.10160	2.1
98.20712	2.5
99.04433	2.8
101.02349	1.6
105.04512	1.7
105.07016	34.3
106.07384	2.0
107.04928	8.5
107.08584	26.9
109.06505	6.3
109.10146	39.6
111.04437	2.2
111.08057	2.4
117.07053	8.4
119.04945	1.4
119.08562	10.6
121.02863	16.3
121.06544	3.5
121.10074	3.8
122.03219	4.8
123.08060	2.9
123.11709	7.0
125.09676	1.6
127.03860	2.8
127.07533	2.2
128.06187	2.3
128.98584	2.3
129.07025	4.1
131.08553	10.7
133.06496	5.2
133.09102	3.2
133.10127	58.3
135.08058	6.7
135.11682	3.9
137.02306	1.7
137.09708	1.8
141.07054	1.7
143.08536	3.1
145.04947	1.8
145.10138	5.4
147.04324	2.0
147.08043	2.7
147.11685	4.4
149.09615	5.8
151.11168	24.5
159.08066	2.3
159.11707	2.0
161.09645	4.9
161.13232	1.8
163.03934	1.9
163.11133	2.2
165.01865	2.4
169.12189	2.4
175.11201	2.7
177.09042	2.3
179.10715	1.8
199.06424	2.4
204.48421	1.6
211.02783	2.4
215.12849	2.5
217.07344	1.9
221.22768	1.6
229.04648	2.0
229.07483	9.4
230.07732	2.9
245.19049	3.7
247.08569	8.0
247.24304	1.6
248.08894	3.4
251.12660	1.6
253.14348	81.4
255.09065	2.9
263.20221	3.1
265.11124	1.7
269.10696	2.1
269.13715	2.5
271.09811	1.8
271.15314	8.8
273.10303	1.8
273.18420	10.8
273.60031	2.0
275.20044	3.6
283.12079	9.8
284.12527	4.3
287.05475	6.1
288.05826	3.2
291.19519	14.9
299.05496	32.5
300.05832	23.5
301.13193	3.8
306.08365	1.7
321.07410	1.7
325.06915	2.9
327.08600	19.0
328.08942	16.2
331.15781	3.4
332.16068	2.3
339.08533	2.1
347.22141	7.9
349.16772	3.4
350.07727	2.2
350.17255	4.1
351.08453	3.1
352.08939	2.5
353.10141	2.7
354.10721	3.4
363.08527	2.1
364.08945	4.1
365.23230	100.0
366.23401	2.7
378.10901	2.5
381.19440	49.8
382.15253	1.8
382.19754	40.5
399.20480	5.5
400.20834	3.4
422.22061	2.8
455.12076	1.7
543.23706	2.8
544.24023	20.1
545.24609	2.3
561.24927	8.7
562.25153	44.3
724.63251	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01871	2.8
55.05511	13.8
57.03439	4.9
61.02930	5.0
67.05504	17.8
69.03421	5.4
69.07066	18.2
69.29098	1.6
69.29507	7.5
71.04982	1.9
73.02935	1.4
79.05489	14.7
81.03415	7.0
81.07052	13.7
83.04976	1.9
83.08620	6.3
85.02897	6.1
85.06514	1.4
90.94826	0.7
91.03952	2.7
91.05480	11.8
93.07045	12.0
95.04971	6.3
95.08593	6.0
97.02892	8.7
97.06526	2.4
97.10167	8.3
98.20782	1.4
105.07034	8.0
107.04958	4.7
107.08588	10.2
109.02862	1.1
109.06496	2.9
109.10156	7.0
111.08058	1.4
117.07022	4.3
119.04954	0.9
119.08580	7.8
121.06493	2.5
121.10159	4.6
123.08048	2.8
123.11678	1.3
125.09629	6.5
127.03919	2.1
129.06982	2.6
131.04958	0.8
131.08537	5.3
133.06450	2.3
133.10155	5.0
135.08034	2.5
135.11678	1.9
137.09576	1.2
137.29106	0.8
143.08566	1.9
145.04919	0.9
145.06483	0.8
145.10092	3.4
147.08037	4.3
147.11671	3.4
149.09607	1.8
149.13338	1.3
151.11220	2.1
153.09155	0.8
157.10127	2.2
159.11678	1.9
161.09686	1.5
163.05992	1.3
163.07512	0.9
163.11107	1.3
165.09109	1.1
165.92299	0.8
169.12155	0.9
171.11737	1.0
175.11169	1.9
189.11203	4.7
193.12207	5.2
205.12273	1.2
211.13243	2.9
223.13281	13.1
227.12781	5.6
229.14374	0.8
245.13867	1.0
245.19124	0.9
249.14728	1.7
253.14401	1.2
255.17459	0.9
267.15878	2.8
273.18533	8.2
285.16959	10.2
291.19528	66.9
299.05457	2.2
300.05685	1.3
305.78909	0.8
347.22101	2.4
365.23218	100.0
366.23502	2.6
389.18024	0.9
429.21042	1.1
488.28265	0.8
527.28418	2.2
544.24042	1.8
549.99451	0.9
560.63867	0.8
561.24493	0.9
562.24976	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01863	1.1
55.05501	3.8
56.96557	0.8
57.03432	2.3
61.49692	0.9
65.01651	0.8
65.03942	1.9
67.05501	7.3
68.99817	1.2
69.03420	4.3
69.07070	3.3
69.92195	0.7
70.02580	4.4
79.05492	5.6
81.03415	3.4
81.07047	6.8
83.08611	0.8
85.02897	8.3
91.05477	8.9
93.07042	6.2
95.04980	2.2
95.08601	4.2
97.02889	3.3
97.10129	1.1
105.07018	10.7
107.04930	2.3
107.08586	2.8
109.06438	0.9
109.10168	1.4
111.04423	1.8
115.05441	1.1
117.07024	2.8
119.08588	6.4
121.01994	1.9
121.02862	39.6
121.10127	2.4
127.03925	1.0
129.07002	1.1
131.08562	3.7
133.10139	4.7
135.04408	0.9
143.08580	1.7
145.06557	1.5
145.10126	3.6
147.04425	2.5
147.11700	2.3
153.01874	1.8
153.06921	1.2
157.10114	1.2
159.11705	1.2
163.03877	0.9
165.01863	3.4
173.06033	2.5
175.03946	1.0
179.03479	1.5
183.02878	3.2
191.03378	1.6
197.06001	2.6
201.05528	1.2
213.05499	1.1
215.06903	1.1
217.04880	0.9
225.05438	1.2
229.04944	3.4
243.06563	3.4
253.04807	1.0
255.06516	1.4
257.07712	1.1
257.19080	2.6
258.05353	1.1
267.06747	0.9
269.08139	1.0
271.06052	1.9
271.09915	1.0
275.20004	4.5
283.05917	2.0
286.04605	2.9
287.05493	10.5
293.08179	1.2
295.06039	1.5
297.07828	1.0
299.05484	100.0
300.05899	1.5
305.08194	1.0
309.07706	1.4
311.05478	3.4
311.09061	1.1
313.07114	4.5
321.07813	1.2
323.05670	5.5
323.08948	2.0
324.06271	1.7
325.06992	5.5
327.08600	67.9
335.08963	1.9
337.06924	7.8
339.08643	5.2
349.07013	2.4
350.07748	1.3
351.08612	7.2
352.09283	1.1
353.10211	13.4
361.06903	1.6
363.08542	13.2
364.09460	2.6
365.10132	3.4
375.08484	1.7
375.72961	1.0
377.10071	6.6
378.10846	1.3
379.11752	4.5
389.10077	3.2
391.11731	3.1
403.11847	2.6
405.13251	1.9
417.13242	3.2
419.14609	1.4
431.14645	1.2
449.16226	1.1
452.18271	1.3
467.16663	2.0
515.24670	2.2
543.23743	42.9
561.24774	88.8
562.24817	1.8
669.30011	0.9
693.85211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01855	1.4
55.05502	2.6
55.36459	0.4
57.03414	0.9
59.04994	0.3
61.02905	0.6
65.03925	0.5
67.05501	4.6
68.99792	0.6
69.03422	3.2
69.07070	2.4
70.03020	0.3
71.04975	0.8
71.58052	0.6
75.70809	0.3
78.40323	0.3
79.05486	3.8
81.03418	1.9
81.06653	0.4
81.07050	4.1
83.04939	0.4
83.08584	0.7
85.02433	0.5
85.02898	6.0
85.06547	0.4
91.05477	5.3
93.07037	4.7
95.04936	0.9
95.08593	3.4
97.02884	2.2
105.03371	1.1
105.07025	4.4
107.04939	0.8
107.08588	3.2
108.05174	0.3
109.02882	0.7
109.10109	1.5
111.04435	0.7
115.05372	0.5
117.06986	1.3
119.08580	3.6
121.02859	18.4
121.10144	2.0
123.07984	0.4
127.03902	1.1
129.06963	0.7
131.04919	0.6
131.08585	2.2
133.06532	0.4
133.10123	2.1
135.04350	0.5
137.02322	0.6
141.01819	4.7
141.06889	0.5
143.08603	0.5
145.06456	0.4
145.10149	1.7
147.04417	2.6
147.11664	1.4
153.01794	0.4
157.10089	0.6
159.11659	0.6
161.05937	0.4
161.13307	0.4
165.01807	2.3
167.03288	0.3
169.06401	0.8
173.13200	0.5
175.03896	0.6
177.01793	0.7
183.02869	3.0
187.03911	0.6
191.03262	0.4
197.05946	1.8
199.14798	0.4
201.05524	0.8
215.07016	0.5
221.15446	0.4
225.05487	1.3
225.56235	0.4
229.04951	0.8
239.06699	0.4
243.06477	2.9
245.04512	0.8
249.18427	1.8
257.18811	1.8
267.06641	0.4
269.08078	0.4
271.05988	1.3
275.20026	2.7
283.06003	0.8
285.03931	0.5
286.04718	1.4
287.05432	3.7
295.06137	0.9
297.07559	0.6
299.05484	100.0
300.05865	1.1
305.07983	0.5
309.07712	0.4
311.05475	1.9
311.08914	0.6
313.03616	0.5
313.06985	7.1
321.07388	0.6
323.05585	2.5
324.06161	1.0
325.07031	7.3
325.10922	0.4
327.08606	48.3
337.07019	1.3
339.08560	3.1
341.10162	1.0
345.07355	0.4
349.07095	1.2
350.07550	0.4
351.08582	2.4
353.10178	3.5
359.09030	0.5
361.07120	0.7
363.08615	9.2
364.09409	1.6
365.10284	1.7
375.08463	2.2
376.09439	0.4
377.10107	3.3
378.11252	0.5
379.11606	1.1
389.10260	1.7
391.11627	2.8
393.13461	0.4
403.11646	2.3
405.13367	2.0
417.13367	3.7
419.14676	0.9
431.14813	1.6
445.16373	0.7
459.17709	0.5
461.16040	0.4
467.16818	1.3
479.16885	1.0
492.17252	0.4
502.87982	0.4
515.24060	1.4
515.61017	0.4
525.22546	3.0
543.15234	0.6
543.23724	25.2
561.24786	40.2
562.25482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32178	0.8
56.96558	7.3
58.90765	0.8
69.18687	0.8
71.56804	1.3
80.76251	0.7
84.96042	3.8
94.93002	1.0
98.96931	1.7
98.97572	30.8
102.97029	1.0
110.97550	8.6
116.97826	1.3
116.98614	21.3
116.99877	1.0
128.98592	14.0
131.00134	0.8
134.99635	9.1
140.98572	2.8
143.00110	6.6
146.99649	13.4
152.98572	1.2
152.99672	1.2
153.00754	0.9
158.99648	15.1
161.01222	12.2
162.00211	0.8
165.00777	2.1
168.00249	0.9
170.99632	13.3
174.99188	0.9
177.00703	20.7
179.02254	3.3
182.99660	9.5
189.00691	24.9
194.99774	0.8
195.01767	2.4
199.59676	1.0
201.00702	51.1
202.61407	0.7
207.01761	4.1
213.00694	3.6
219.01753	44.4
224.02452	0.8
231.01715	5.8
237.02812	20.5
240.02138	1.6
243.01753	21.2
243.04219	1.4
249.02763	1.1
255.03900	1.4
261.02805	88.0
273.02954	6.1
279.03860	60.1
284.04391	1.0
291.03888	20.0
297.04910	2.4
302.05505	3.4
309.04901	2.7
321.04904	31.4
333.04929	4.8
336.05365	1.0
349.74405	1.0
351.05963	11.0
363.06003	2.6
381.07056	28.8
399.08081	37.4
406.94223	1.0
422.09698	2.2
441.09143	100.0
442.09317	2.2
442.80859	0.9
453.09036	3.0
453.14728	0.9
543.11969	3.0
561.12830	1.3
723.18402	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49012	0.9
52.83791	0.9
56.96552	6.6
67.15800	0.8
69.03432	1.8
84.96025	3.2
85.02901	2.5
87.63177	0.8
97.02863	1.2
98.97574	22.8
98.98193	1.3
108.98381	1.0
110.97544	4.6
112.89629	1.4
115.86210	0.9
116.98613	21.2
127.03909	1.5
128.98596	11.8
131.00189	0.9
134.99663	13.8
140.98569	2.1
143.00151	4.5
145.01698	1.3
146.99655	19.1
147.04344	1.1
149.01198	1.4
153.00696	1.9
158.99648	11.5
161.01213	13.4
161.02460	1.5
163.03931	2.3
165.00748	2.6
168.00162	1.0
170.01282	1.2
170.99652	10.5
171.05072	1.1
177.00713	19.0
179.02275	2.9
182.99596	6.8
189.00703	25.7
189.02377	1.9
190.00925	1.0
193.00133	0.9
194.95628	0.9
195.01741	2.6
200.02277	1.6
201.00699	48.8
203.02275	1.0
207.01743	4.0
212.02362	1.3
213.00720	4.1
219.01750	45.7
224.02248	1.8
231.01694	7.9
237.02824	22.4
242.03479	2.5
243.01740	15.2
245.05031	2.4
248.71764	1.0
249.02808	2.1
255.03979	1.1
261.02808	81.8
262.03183	2.2
270.03006	1.2
273.02609	4.9
279.03860	55.2
281.07364	0.9
291.03876	15.6
297.04825	1.9
302.05380	5.8
303.03802	2.1
305.45969	1.0
309.04959	1.9
314.05576	1.2
321.04904	32.3
333.04916	2.6
333.39935	0.9
351.05951	10.2
351.10629	1.6
363.06012	1.7
381.07043	27.8
399.08105	33.9
422.09470	3.4
441.09137	100.0
442.09427	2.1
453.09048	2.6
501.11356	1.3
543.11707	1.9
723.21991	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01873	6.2
55.05502	16.3
56.05012	3.9
57.03428	5.3
60.04523	3.7
61.02896	3.8
65.03944	3.7
67.05497	52.8
69.03421	23.1
69.07082	19.9
70.02935	7.3
70.70065	3.5
71.04984	4.2
71.57843	9.2
79.05489	43.1
81.03410	14.6
81.07051	39.2
83.04980	8.4
83.08601	7.7
85.02892	19.1
87.04469	4.5
88.03995	32.6
91.05481	41.6
93.07038	37.7
95.04955	13.1
95.08594	32.9
97.02883	14.9
97.06528	6.8
97.10188	7.0
99.04406	4.4
103.96017	3.8
105.07023	34.6
107.04921	9.0
107.08590	36.3
108.04514	5.6
109.02868	11.1
109.06518	9.3
109.10166	16.5
110.06026	25.4
117.07004	9.8
119.08565	29.2
120.04454	8.0
121.06472	6.8
121.10154	14.8
122.06015	17.3
123.04436	15.3
125.09554	8.9
127.03938	8.5
129.06952	5.4
130.04947	5.5
131.08571	15.0
133.10112	19.6
134.06120	3.8
135.04382	4.2
135.08076	7.7
135.11665	6.1
136.03902	8.4
139.11174	9.8
143.08554	4.2
145.10144	9.2
146.06003	14.6
147.08032	4.6
147.11662	14.3
149.09602	8.3
157.10121	9.2
158.04440	8.4
159.11679	7.1
160.07578	15.1
161.05952	7.1
161.13298	6.3
162.05487	52.1
163.03949	4.5
163.11125	7.4
172.03915	5.7
173.13280	4.8
174.05563	14.4
176.07088	5.0
178.05107	5.3
179.03557	4.5
184.07623	5.5
186.05469	4.5
190.05046	15.7
195.16806	4.1
196.07542	4.6
199.06349	7.5
200.03410	5.3
200.07097	12.9
202.04985	5.1
203.12679	10.2
203.18121	4.5
206.04372	7.5
212.07028	6.1
249.08696	5.6
264.16095	5.7
267.09610	24.3
275.15244	5.2
275.20053	23.8
282.14780	8.0
288.15952	11.0
293.21234	4.9
298.14374	4.9
310.14359	30.7
326.17422	5.8
328.15421	40.4
339.12296	8.3
341.18625	4.7
344.14908	5.4
347.13232	4.2
359.19672	15.9
373.15155	17.0
384.25269	12.0
387.19025	5.7
402.26361	56.0
433.19577	4.6
436.24753	10.2
454.25812	15.9
464.24469	22.4
482.25336	84.8
500.26367	61.8
501.26779	4.6
523.27673	8.1
541.29156	62.9
542.29724	4.7
559.30096	100.0
560.30133	5.1
721.35315	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01855	2.4
56.96564	8.5
57.03409	3.1
61.02913	2.2
66.78996	1.7
69.03429	8.5
69.94810	3.2
69.95222	5.7
71.04987	1.6
71.41531	1.7
73.02908	1.9
81.03411	3.1
84.96014	4.7
85.02902	15.5
89.03917	2.8
93.84335	1.3
95.04956	3.0
97.02884	8.9
98.03238	2.1
98.97572	22.9
99.04488	1.5
101.00932	2.0
101.02328	1.7
106.85162	1.5
107.04929	6.8
109.02877	3.6
110.72214	1.5
110.97542	3.3
112.99141	2.6
116.98617	21.1
117.03368	2.6
119.01907	17.0
121.02864	2.5
127.03868	7.8
128.02260	1.7
128.98605	7.5
130.42627	1.4
131.00192	7.6
131.01877	9.4
134.99646	9.2
135.04422	7.4
135.87357	1.4
137.02930	4.3
140.98460	1.4
143.01903	9.8
145.02702	5.8
145.03502	7.2
145.04871	1.6
146.98650	1.8
146.99605	8.1
147.01413	2.7
147.03220	2.6
149.01218	11.8
149.02924	3.2
155.01875	7.7
157.03471	5.1
158.99670	12.4
161.01239	3.1
161.02951	19.6
162.99126	1.6
163.03889	82.2
165.00813	2.8
165.04311	2.7
167.02040	4.9
169.03374	2.9
170.99622	4.2
171.05040	3.1
173.01247	7.5
173.02962	17.7
175.04520	3.1
177.00696	22.7
182.03354	2.2
185.01270	2.1
185.02933	26.3
187.04543	4.7
189.00731	9.8
189.04329	3.4
191.02248	9.0
191.03940	5.9
193.03589	2.7
195.01749	2.5
195.05014	2.4
197.02861	12.3
200.04424	6.7
201.00751	8.8
203.02184	2.8
203.03984	10.8
206.04387	6.7
207.05345	4.2
209.03075	3.4
213.06142	2.1
214.03896	2.1
215.04001	9.6
219.01773	16.2
221.02960	47.1
221.05009	2.4
227.04031	5.6
229.05167	1.8
231.05331	1.9
237.02846	19.8
238.03401	2.2
239.03989	21.3
243.05371	2.2
244.04594	2.7
245.02560	3.7
245.05075	69.1
246.05411	1.9
247.04703	5.6
255.03990	2.2
257.05066	16.4
261.02795	7.2
263.03949	6.5
263.06131	6.7
271.04419	10.3
272.06583	11.7
272.56619	2.9
273.06210	2.0
275.06113	6.7
277.05533	2.7
279.03802	6.3
281.04996	6.4
281.07230	5.2
287.03827	3.3
287.06995	3.0
289.05591	9.5
291.07419	11.1
293.07077	1.8
295.06787	2.4
296.07584	9.3
296.57742	1.6
299.06360	2.8
303.04932	4.7
305.07388	4.5
307.06522	7.5
309.05124	2.7
309.08536	37.9
309.12085	2.8
313.05487	5.6
315.03378	3.1
317.04898	2.7
320.33408	1.5
321.04962	3.3
323.06094	6.5
331.06604	6.4
333.04688	3.1
333.08487	20.0
333.12195	3.0
335.02686	2.0
335.08249	2.4
341.05017	1.9
349.07639	14.1
351.05722	3.0
351.09567	39.2
359.06125	5.2
362.09683	5.8
362.60077	2.5
365.07257	5.6
367.08670	5.2
369.06522	5.7
374.11337	2.1
377.06989	30.9
377.60568	2.3
393.10745	19.9
395.08081	22.3
413.08905	1.9
418.09674	1.9
437.09290	100.0
441.08618	2.4
449.09167	16.8
455.10333	22.9
461.09494	2.2
467.10318	16.3
478.11871	4.0
479.10257	7.4
481.11798	1.6
497.10968	3.6
509.10641	2.3
521.11627	2.4
539.12482	13.2
640.11847	1.6
719.20215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.0
55.14904	1.5
56.05025	2.8
57.07067	7.4
60.04526	24.4
61.54203	1.8
63.91535	1.8
67.05504	18.2
69.07072	12.4
70.06589	3.5
71.21317	3.1
73.43242	1.6
79.05492	11.5
80.57521	1.4
81.07056	17.0
83.08612	10.6
87.82399	1.7
93.07053	11.1
95.08601	14.2
96.08115	3.2
97.10147	5.2
107.08564	7.0
109.10170	5.7
110.77309	1.8
111.11655	2.0
121.10117	10.2
123.11726	1.6
135.11702	7.4
143.04712	1.7
264.26834	13.3
272.25806	6.7
282.27927	16.1
315.86713	1.8
518.49084	6.7
536.50372	100.0
537.50616	5.1
554.51471	18.4
600.63312	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87905	0.3
53.95385	0.3
57.28468	0.4
63.31586	0.4
63.73386	0.4
64.80178	0.4
79.05511	0.6
81.07062	0.7
83.01091	1.1
95.01087	0.5
97.02638	0.5
97.07990	0.3
133.03528	0.5
157.04662	0.9
164.15573	0.4
167.59801	0.4
176.42805	0.4
184.03400	0.4
185.04207	2.3
197.80086	0.4
201.03694	1.9
203.05286	2.0
203.06979	0.4
210.87453	0.4
241.06790	0.5
257.06378	0.8
259.07968	2.1
275.07748	0.5
317.08392	1.1
317.19705	0.6
319.09988	1.3
331.10019	2.6
335.20789	1.0
347.09470	4.7
359.13342	0.5
363.09113	1.5
365.10507	4.5
373.14246	0.6
391.24631	0.8
401.17850	0.8
415.19577	0.8
421.12991	2.3
441.21259	0.5
455.22916	1.0
483.21805	2.1
493.15286	4.6
507.16614	0.5
521.18347	0.7
535.20007	1.2
553.29712	12.0
563.23206	1.1
577.24701	1.7
603.26727	0.5
617.27808	0.6
645.27155	1.0
657.46265	0.4
715.35040	100.0
716.36206	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10411	0.7
56.96550	1.0
70.11340	1.2
70.11757	2.6
83.80540	0.9
85.15735	0.7
86.28408	0.7
95.08593	0.9
95.86268	0.8
98.20850	1.1
106.70345	0.7
116.98645	1.4
133.10057	0.8
149.01260	1.2
177.00697	1.1
189.00682	0.8
245.45851	0.8
253.14751	0.9
261.51523	0.9
288.63388	0.8
315.60760	0.8
321.05176	2.6
666.31915	1.0
715.32935	100.0
716.33008	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94692	0.3
58.39659	0.3
63.61288	0.3
69.22833	0.4
70.46737	0.4
70.62293	0.3
70.64854	0.4
70.89239	0.3
79.05490	0.4
83.01078	0.6
93.07077	0.6
95.01093	0.5
109.06542	0.4
112.47247	0.4
117.23727	0.4
120.07993	0.3
143.45969	0.4
157.04755	0.4
169.04745	0.4
185.04166	1.9
201.03728	2.0
203.05254	2.1
229.38533	0.5
257.06418	0.9
259.07910	2.3
275.07608	0.4
301.08801	0.5
305.07587	0.4
317.08630	0.5
317.19666	0.6
319.10095	1.3
329.08371	0.6
331.09927	2.2
335.20645	0.4
345.11728	0.5
347.09430	4.0
359.13034	0.6
363.08972	2.1
365.10480	3.6
369.63498	0.4
373.14734	0.6
389.19562	0.4
391.24500	0.9
401.17844	0.4
415.19498	1.3
421.13098	2.6
437.12857	0.5
441.20853	0.7
455.22577	1.0
483.22067	2.1
493.15302	4.4
502.54526	0.4
507.17099	0.9
521.18359	0.8
535.20074	1.3
535.27832	0.8
553.29730	11.9
563.23114	0.8
577.24561	1.9
617.27551	0.5
645.27863	1.0
715.35040	100.0
716.35419	4.1
742.56262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3289
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
55.11932	0.9
58.28809	0.8
71.58447	1.5
85.12902	0.9
88.70040	0.9
116.98609	1.3
119.08588	1.4
139.36859	0.8
141.52292	0.8
279.03995	1.2
311.06976	1.0
467.19980	1.0
599.53595	1.1
715.32947	100.0
716.33453	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
53.61560	0.4
56.75880	0.4
65.03947	2.6
67.05506	0.5
67.70896	0.4
69.03416	0.7
69.07053	0.5
69.27654	0.4
70.06585	0.7
71.32145	0.9
73.62981	0.4
81.03371	0.6
81.07035	0.9
82.06568	0.8
84.08122	0.5
85.02866	0.8
86.09680	0.9
89.03907	0.6
91.05460	0.5
92.04999	3.6
93.06997	0.5
94.06517	1.1
95.04924	0.9
96.08118	0.9
110.06014	1.3
111.04443	0.5
112.07608	0.9
117.03378	1.0
117.96178	0.4
120.04492	2.3
122.06052	2.4
124.07586	7.8
135.04411	3.7
136.07526	0.5
138.05492	7.2
140.07063	2.7
141.07819	1.4
142.08627	51.3
143.08919	0.9
145.02805	1.6
147.04408	0.6
154.04982	0.5
154.08644	1.0
160.03926	0.6
161.04689	1.1
162.05434	0.6
163.03906	23.2
188.03415	64.9
189.03740	0.8
206.04480	80.7
207.04890	2.0
216.10181	1.7
217.13419	0.7
243.11278	1.6
244.09618	1.4
252.06529	0.5
258.91534	0.5
261.12344	8.4
278.08084	1.2
279.13449	4.8
280.05914	0.7
281.06812	1.6
287.10306	0.5
294.07581	0.9
301.11630	0.7
303.05069	0.9
304.05908	1.3
305.05948	0.6
308.05429	0.8
309.06366	5.0
311.10211	1.0
319.12860	1.0
322.07010	2.9
329.11307	100.0
330.11716	2.3
337.09177	0.6
345.14392	0.6
347.12296	4.3
350.06491	1.4
355.10260	0.9
361.13937	7.5
370.13968	1.6
382.09180	1.3
429.27328	0.5
471.86685	0.4
491.14365	3.8
508.96756	0.5
523.16998	2.9
618.37305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
57.03426	0.3
65.03932	2.7
67.05489	0.4
69.03411	0.5
69.07049	0.7
70.06571	0.6
71.57858	0.3
74.49471	0.2
79.05475	0.4
81.03376	0.6
81.07027	0.9
82.06570	1.3
83.04997	0.3
84.08128	1.0
85.02862	0.7
86.09708	0.6
89.03913	1.2
91.05483	0.4
92.04995	4.6
93.07033	0.4
94.06563	0.7
95.04961	0.6
96.04480	0.5
96.08136	0.6
97.02877	0.3
106.06582	0.3
107.04942	0.8
110.06039	1.6
111.04434	0.3
112.07597	0.9
117.03342	1.0
119.08570	0.4
120.04458	3.2
121.05230	0.8
122.06043	2.1
124.03953	0.3
124.07581	8.5
132.04460	0.3
135.04414	4.5
135.08076	0.3
136.07574	0.6
137.05994	0.5
138.05492	8.5
140.07048	2.9
141.07813	1.6
142.08624	51.3
143.08997	0.5
145.02843	2.3
154.08658	1.6
160.03883	0.4
161.04721	0.8
162.05490	1.1
162.09155	0.3
163.03899	24.6
164.07065	0.5
188.03410	57.2
189.02177	0.3
189.03720	1.5
206.04475	93.5
207.04898	1.8
208.05945	0.4
208.09653	0.4
216.10135	2.1
217.13391	0.7
220.06003	0.7
243.11212	1.4
244.09689	1.2
248.07060	0.3
253.07413	0.8
261.12320	8.0
264.06625	0.4
266.08237	0.4
278.08133	0.9
279.13361	5.0
280.06039	0.6
281.06714	1.6
282.07602	0.4
284.09183	0.5
294.07553	1.1
301.11710	0.6
303.04929	0.7
304.05698	0.6
308.05524	0.9
309.06296	6.0
309.09531	0.3
310.06931	0.7
311.10239	1.0
322.07117	3.3
329.11295	100.0
330.11685	3.0
335.12271	0.6
335.79657	0.3
337.09030	0.4
347.12381	4.6
350.06577	1.3
351.07245	0.8
355.10217	1.1
361.13916	7.4
362.14117	0.4
370.13821	1.9
382.09198	0.7
449.13333	0.9
453.37735	0.3
463.30643	0.3
480.12955	0.3
491.14529	3.3
496.12650	0.8
523.17072	2.2
542.13220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1555
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
52.57771	0.1
53.03744	0.1
53.03946	1.4
55.01871	1.2
57.03439	0.9
61.02926	0.9
61.18889	0.1
65.03936	0.2
68.99780	1.0
69.03429	4.5
70.56929	0.5
71.01345	0.2
71.04975	0.7
73.02907	1.1
79.05499	0.1
81.03416	5.6
85.02905	9.6
87.00309	0.2
87.00829	3.6
87.04449	0.2
91.03951	0.4
91.05454	0.1
93.03387	0.3
95.04954	0.4
97.02898	3.3
99.03840	0.2
99.04452	1.9
101.02396	0.2
105.01862	2.8
105.07045	0.2
109.02878	5.3
111.00831	0.9
115.03939	0.1
117.01852	0.8
121.02848	1.0
122.06024	0.1
123.04405	0.2
127.03915	7.2
129.01852	0.7
133.06488	0.1
135.04410	0.3
136.07576	0.4
137.02338	2.7
137.03400	0.1
137.05846	0.2
140.07034	0.2
145.04967	2.5
147.02905	0.6
149.00400	0.1
149.02348	0.4
153.01822	3.1
154.08684	0.2
159.02890	2.8
159.04166	0.1
161.06006	0.4
163.03934	0.7
164.07065	0.2
165.01828	1.9
166.02654	0.2
167.07021	0.1
171.02954	0.2
173.05974	0.4
183.02872	0.9
183.04298	0.3
187.03902	0.3
191.03441	0.2
194.08063	0.2
195.02882	0.4
201.05507	1.3
202.64958	0.1
205.05139	0.2
207.02893	0.1
213.03798	0.2
219.02916	0.1
219.06554	0.2
228.04248	0.1
229.04970	4.1
231.02910	0.2
231.04979	1.1
247.06172	0.7
257.04453	3.0
259.10696	0.1
274.04767	0.7
275.05356	0.3
285.03937	1.4
287.05658	0.1
301.11667	0.2
302.04092	0.2
303.04980	100.0
303.56985	0.1
304.05289	1.8
315.04742	0.2
319.12915	0.2
345.06064	0.6
361.13818	0.2
368.15414	0.2
399.00507	0.2
465.10297	12.9
466.10217	0.2
551.10321	0.4
644.70502	0.1
694.28528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01869	1.3
57.03443	0.8
57.36816	0.4
61.02921	0.7
67.33375	0.4
68.99783	0.9
69.03425	6.1
69.52990	3.6
70.06587	1.2
71.04993	0.7
73.02895	0.5
81.03421	5.4
85.02904	8.9
87.00829	2.8
91.03901	0.6
95.04954	0.7
97.02889	5.9
99.04446	2.2
105.01873	1.6
107.04940	0.6
107.35024	0.5
109.02879	4.4
111.00785	0.6
116.98632	0.5
121.02856	1.0
123.04433	0.7
127.03926	7.9
129.01881	0.5
133.98767	0.4
134.99564	0.5
135.04402	0.5
136.07585	0.8
137.02325	2.8
145.04935	3.3
153.01831	3.4
159.02875	1.7
161.06070	0.5
163.03929	1.8
165.01831	2.1
166.08728	0.4
167.07066	0.8
168.89734	0.4
170.56853	0.4
179.03310	0.6
183.02911	0.8
201.05522	1.2
201.71492	0.4
208.09573	0.6
219.06606	0.7
229.04988	3.8
231.05092	1.2
247.06178	0.6
257.04425	2.1
274.04700	0.9
285.04053	1.1
285.07639	0.4
287.05469	1.4
303.04984	100.0
304.05399	0.8
306.20041	0.4
341.06592	1.4
342.06915	1.3
422.61176	0.5
465.10297	7.8
484.25525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.23796	0.2
55.01863	0.8
56.94043	0.1
57.03424	0.6
61.02910	0.6
65.03928	0.2
66.86777	0.2
68.00398	0.2
68.99783	0.9
69.03082	0.2
69.03429	3.6
70.06584	0.5
71.04984	0.3
71.47073	0.4
73.02907	0.6
77.03954	0.2
79.05503	0.3
81.03416	3.8
83.04973	0.2
85.02904	5.6
87.00827	2.2
90.69363	0.2
91.03909	0.2
91.05476	0.2
91.97019	0.2
97.02885	2.6
99.04445	1.1
105.01856	1.1
107.04942	0.4
109.02880	3.3
111.00802	0.4
117.01880	0.2
121.02866	2.4
123.00759	0.2
123.04475	0.2
125.02325	0.2
127.03918	4.2
129.01868	0.3
131.04922	0.6
135.04358	0.3
136.07571	0.5
137.02338	1.9
145.04945	1.5
145.06430	0.2
153.01813	1.8
154.08592	0.4
159.02878	1.8
163.03909	0.9
164.04205	0.2
165.01839	0.9
169.01317	1.6
171.02919	0.3
173.05977	0.5
181.01294	0.6
183.02895	0.4
183.04391	0.4
187.03966	0.2
195.02913	0.2
201.05504	1.2
206.08194	0.2
219.06525	0.2
219.31406	0.2
229.04926	2.0
231.05035	0.5
247.05992	0.5
257.04385	1.8
274.04681	0.7
275.05383	0.4
285.03772	1.0
287.05588	0.9
303.04977	100.0
304.05283	2.0
319.12961	0.4
341.06573	0.6
342.06955	0.3
345.06183	0.4
425.14874	0.2
465.10263	4.2
531.21552	0.2
534.02075	0.2
551.10132	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01850	1.8
55.05511	12.5
57.03436	19.0
57.07053	1.6
61.02922	13.9
61.17437	1.3
65.03930	2.6
67.05500	40.1
69.03414	3.5
69.07063	13.0
71.04971	3.3
73.02903	4.8
75.04479	1.9
79.05490	38.1
81.03404	2.6
81.06586	2.4
81.07053	44.5
83.04964	3.3
83.08619	5.9
85.02897	15.1
85.06522	3.2
85.86985	1.0
91.03958	9.5
91.05474	36.0
92.13844	1.3
93.07038	52.8
95.04980	6.7
95.08599	34.9
97.02879	13.1
97.06516	4.8
97.10163	4.5
99.08067	4.6
105.07023	35.3
107.04934	2.0
107.08593	34.0
109.02829	1.3
109.06497	5.0
109.10155	16.6
111.08038	2.8
113.09629	1.5
117.07012	14.7
119.08567	27.8
121.10143	29.5
121.24958	1.2
123.08098	1.9
123.11684	4.2
125.09571	1.6
127.03881	4.5
129.06993	6.2
131.08557	15.7
133.10127	25.2
134.10422	1.5
135.08032	3.7
135.11687	21.6
137.09598	3.0
139.11116	1.4
143.08566	8.7
144.04483	1.2
145.04921	4.6
145.10114	15.9
147.07945	1.3
147.11682	20.7
149.09683	2.4
149.13234	12.0
151.11165	1.4
157.10133	6.8
159.11671	15.3
161.13235	11.4
163.06017	3.5
163.11127	2.4
163.14822	3.9
165.12750	1.2
171.11693	5.8
173.13219	9.1
175.14833	3.7
177.12730	4.7
179.14304	1.6
185.13222	8.7
187.14825	7.8
189.12712	2.2
189.16435	1.7
195.13808	1.7
199.14738	2.7
201.16333	3.3
205.15897	3.9
217.19469	1.5
219.17384	3.9
221.15424	1.4
221.18971	1.3
229.14314	2.0
231.21019	1.7
241.19502	14.6
259.18033	2.3
259.20563	30.2
269.17413	5.3
275.20145	1.5
277.21609	28.0
325.11038	1.3
333.24228	5.7
348.14569	1.3
351.25278	100.0
352.25421	1.8
366.64758	1.3
369.26224	4.0
393.26331	1.9
421.25574	2.5
459.26953	1.7
477.28497	2.1
495.29492	4.9
513.30170	6.2
703.61389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25107	15.4
55.05495	17.2
56.96545	30.4
57.03434	17.1
67.05492	67.3
69.07046	37.3
71.58148	27.8
79.05479	72.5
81.07032	75.9
85.02901	40.3
91.05488	85.3
93.07030	95.7
95.04926	28.3
95.08627	36.1
97.02895	28.7
105.06997	54.7
107.04905	19.4
107.08561	46.9
109.06542	15.4
117.06992	38.6
119.08566	53.2
121.10117	32.4
129.06982	15.4
131.08673	19.9
133.10092	50.1
135.11668	36.7
136.72032	14.6
143.08575	16.6
145.10124	21.6
147.11615	55.8
157.10202	16.3
171.11722	16.8
177.57069	17.3
180.41805	16.6
209.06154	18.2
219.17487	24.8
229.07516	22.0
247.08473	44.2
259.20453	51.8
349.23602	22.1
351.25348	92.3
365.15305	100.0
381.19376	41.9
382.19766	25.6
387.95334	16.1
395.15405	15.9
711.30554	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75803	0.8
53.03939	3.4
55.01864	1.6
55.05500	8.8
57.03433	4.0
57.07059	0.7
58.06597	2.0
61.02927	4.9
65.03936	0.7
67.05498	9.0
69.03423	23.9
69.07074	6.6
70.06588	17.1
70.14738	3.3
71.04980	3.0
72.08149	0.9
73.02918	3.7
79.05476	3.3
81.03412	14.0
81.07052	10.5
82.06564	1.2
83.01357	1.0
83.05001	0.9
83.08623	3.2
84.08112	2.3
85.02901	33.3
86.09704	1.0
87.04466	2.0
91.03957	1.1
91.05482	2.0
93.07044	3.4
94.06574	1.1
95.04990	0.8
95.08600	10.3
96.08131	6.4
96.08715	0.9
97.02883	13.5
97.08907	1.0
97.10170	1.7
98.09688	3.9
99.04437	6.0
103.03948	2.2
105.07023	1.1
107.08562	2.1
108.08150	1.0
109.02870	14.7
109.06502	0.8
109.10149	3.9
110.09688	2.5
114.09182	3.3
115.03909	0.9
120.08062	0.9
121.10171	1.3
124.11206	1.0
127.03902	17.3
127.04794	1.1
137.05971	1.0
138.12738	0.9
145.04980	2.7
152.14410	0.8
154.04982	1.0
158.71204	0.9
163.03874	1.1
166.08537	0.9
187.06018	3.6
207.06630	1.4
264.26846	77.0
282.27881	49.8
282.32504	1.0
300.28955	24.5
312.88226	0.7
324.28918	1.6
339.13388	1.5
340.13855	1.1
342.30121	2.9
356.13361	0.9
367.12918	0.8
444.33548	2.2
462.34216	8.3
486.34244	8.7
504.35233	19.9
520.20734	1.1
521.21234	6.1
530.33319	2.6
548.34283	14.5
553.23962	1.8
624.39374	1.5
628.24426	1.3
666.40540	30.7
667.41040	1.0
710.39508	100.0
711.40100	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01869	3.7
55.05512	14.7
57.03437	6.1
57.07082	3.6
61.02927	10.6
61.43310	1.9
65.03939	2.8
66.34956	1.9
67.05505	37.3
69.03426	2.8
69.07070	15.1
70.48518	1.9
70.48859	8.6
70.83222	1.7
71.04998	4.8
73.02888	3.0
79.05489	27.0
81.03410	6.5
81.07063	41.0
83.05002	5.4
83.08606	11.1
85.02902	18.9
91.03954	8.4
91.05476	22.7
93.07043	37.3
95.04967	5.7
95.08607	26.6
97.02893	5.8
97.06521	6.7
97.10146	5.2
99.08088	2.5
105.07030	25.7
107.08595	28.4
109.06509	2.6
109.10160	25.1
111.08115	4.6
112.31495	2.0
115.05526	2.4
117.07037	7.2
119.08568	20.8
121.10144	15.4
123.08010	2.3
123.11701	4.7
125.09599	4.4
127.03920	5.7
129.07050	4.2
131.08574	8.9
133.10120	18.1
135.11736	15.0
137.09619	2.3
141.57857	2.1
143.08589	3.6
145.04997	3.0
145.10138	7.8
147.11697	15.6
149.09628	2.4
149.13248	9.5
157.10146	4.0
159.11697	8.0
161.13271	8.4
163.03928	2.7
163.06038	4.4
163.11157	4.4
163.14821	5.3
168.93498	1.8
171.11743	5.4
173.11873	3.9
173.13316	5.4
175.14836	6.3
185.13292	6.2
189.11209	2.4
199.14879	4.3
202.77054	2.0
211.82410	1.8
216.38388	1.8
229.14293	13.4
231.21085	3.2
241.19499	8.9
259.20621	24.1
269.17523	2.9
273.77628	2.0
277.21646	28.1
303.15085	2.0
333.24341	5.9
351.25330	100.0
369.26306	6.7
477.28018	2.1
495.29596	3.4
513.30463	8.3
701.42041	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01870	12.5
55.05504	15.6
56.96565	1.6
57.03442	13.2
57.07067	9.4
61.02926	9.8
67.05502	30.5
68.99794	3.1
69.03424	44.2
69.07069	23.3
70.06590	2.1
71.04990	17.5
71.08636	2.8
71.75759	1.3
73.02921	5.2
73.21932	1.4
79.05487	19.1
81.03413	41.4
81.07050	36.2
83.04980	16.4
83.08614	12.0
85.02903	100.0
85.06538	47.3
86.36909	1.8
87.00829	21.5
87.04475	4.0
91.03963	2.6
91.05467	14.4
93.07035	26.3
95.04960	14.4
95.07980	2.6
95.08602	46.6
97.02889	33.4
97.06527	12.6
97.10168	10.5
99.04445	13.0
101.02401	1.8
103.03942	2.9
105.01863	22.5
105.07033	15.6
107.04942	4.4
107.08585	16.8
108.21601	1.3
109.02879	38.9
109.06557	4.4
109.10152	20.2
109.24892	1.5
111.04499	2.2
111.08053	8.3
113.05996	21.9
115.03984	1.7
117.01867	1.9
117.07006	2.4
119.04929	1.9
119.08581	10.9
121.06496	3.7
121.10140	18.6
123.08060	6.7
123.11743	6.8
125.09655	3.1
127.03914	59.7
129.01860	3.9
131.04895	2.2
131.08591	5.6
133.10112	11.0
135.04362	1.8
135.08072	4.4
135.11684	17.3
137.06009	4.9
137.13237	2.8
141.09154	4.5
145.04953	16.8
145.10143	5.7
147.02928	2.8
147.04433	2.1
147.08040	2.7
147.11650	8.5
149.09680	2.8
149.13269	9.7
151.07536	1.9
151.14827	2.3
157.10103	1.9
159.02859	11.7
159.07990	2.0
159.11745	2.0
161.06053	3.3
161.09630	2.1
161.13292	5.6
162.41463	1.5
163.03947	5.0
163.07541	3.8
163.11218	1.6
163.14850	4.4
165.09059	3.7
165.16512	4.3
175.04002	1.5
175.07590	2.2
175.14905	4.9
177.09129	3.9
177.16434	2.4
179.10519	2.0
181.08653	1.9
189.04019	3.1
189.16350	2.5
191.17979	2.8
205.19597	7.8
207.06599	2.9
209.11455	1.8
213.03937	2.9
223.20563	19.2
229.19580	2.2
231.04974	11.7
233.18944	1.8
235.13109	2.3
245.11592	6.0
245.22630	23.9
247.20578	4.3
247.24294	3.9
249.06046	2.4
263.12640	3.4
263.23706	14.3
265.25375	4.2
267.16058	2.8
270.81500	1.6
281.24738	80.5
282.25266	3.3
287.23709	1.9
294.60880	1.6
299.25818	53.9
305.20914	4.3
305.24817	7.9
319.22455	1.9
323.25754	14.1
340.71585	1.6
341.27234	2.1
347.25873	4.2
349.19742	3.6
365.26965	3.5
368.37289	1.6
371.25937	4.0
389.26913	5.4
407.28116	4.1
425.29050	2.4
459.27692	2.0
475.26874	1.7
484.31631	14.7
485.32660	2.3
493.28201	3.5
500.31085	7.4
501.31595	5.3
511.29474	4.4
528.30487	11.5
529.31244	3.6
547.31274	6.4
647.37598	11.3
663.36957	10.8
691.36688	34.3
709.25269	3.7
709.37695	60.3
710.37573	4.8
734.68036	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91134	0.4
53.03933	0.9
55.05499	1.4
57.03424	0.4
63.85093	0.4
67.05501	5.4
68.99799	0.4
69.03421	2.0
69.07050	1.2
69.41965	0.4
69.46735	2.8
71.05000	0.5
74.09731	0.5
79.05486	3.7
81.03065	0.3
81.03416	4.1
81.07052	4.6
83.04960	0.5
83.08614	0.4
85.02870	1.2
89.21503	0.3
91.05482	3.2
93.07042	4.4
95.04967	0.9
95.08595	3.5
97.02885	1.7
97.06495	0.4
98.21452	0.8
98.98425	0.4
105.07006	2.2
107.04946	0.8
107.08604	2.1
109.02904	1.0
109.10124	1.8
111.00798	0.6
119.08593	1.7
121.02841	2.1
121.10131	1.6
123.11732	0.4
124.92593	0.4
127.03882	0.6
129.06985	0.8
131.08551	1.2
133.02850	0.7
133.10121	1.3
135.11674	1.1
137.02356	0.8
141.06946	0.4
143.08630	0.6
145.10115	1.5
147.04395	0.5
147.11639	0.9
149.13235	0.8
153.01828	3.6
157.06505	0.5
157.10179	0.6
159.11679	1.2
161.13258	0.5
165.01851	1.7
179.37770	0.4
183.02856	1.1
185.05983	0.4
206.51862	0.4
213.05469	1.1
217.77948	0.3
231.06380	0.9
241.05026	0.7
258.05286	1.1
261.21954	0.6
268.77139	0.4
274.18021	0.5
287.05490	100.0
288.05844	0.9
329.06595	0.5
379.44235	0.4
428.19440	0.5
518.28894	0.4
540.41064	0.5
616.96936	0.5
681.62231	0.4
709.42352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48898	2.5
53.03942	3.5
55.60556	2.9
67.05499	8.9
69.03430	12.4
69.07056	4.0
70.06589	10.2
70.30502	8.7
72.08154	6.3
74.82716	3.3
78.46732	3.3
79.05474	7.9
81.03424	6.7
81.07047	9.0
83.04966	4.4
84.08121	3.8
85.02908	12.4
86.09714	6.7
86.17262	3.1
91.05470	6.0
92.73869	3.2
93.07054	7.8
94.06570	3.7
95.04968	7.8
95.08624	5.5
96.08154	4.1
97.02884	5.9
97.06519	5.2
105.07035	4.3
107.04974	4.0
107.08605	6.0
108.04453	3.7
108.08129	13.6
109.02913	6.5
109.10199	4.0
110.09686	8.4
119.08524	4.5
120.04424	4.6
120.08110	7.6
124.07634	5.8
127.03896	8.7
129.10287	4.3
131.08543	3.0
135.08087	3.1
136.07579	9.6
137.05983	11.7
138.09158	13.0
145.10088	3.9
146.06004	4.9
148.07552	5.3
152.07097	6.1
161.06006	3.2
163.03929	11.9
163.07491	3.5
164.07094	3.9
166.08633	13.3
167.07043	3.5
172.04002	4.9
175.03897	8.4
187.07491	3.2
190.04935	4.4
198.95296	3.1
204.06561	10.3
207.06540	13.2
215.08565	3.3
225.10118	3.9
237.10229	6.7
239.11789	7.6
241.09444	3.3
249.10126	4.8
251.11865	3.7
253.09738	5.1
254.98979	3.1
264.26962	11.5
265.09808	7.4
267.11362	7.3
271.10742	4.0
279.11270	6.0
281.09268	3.8
282.27933	6.6
283.10544	6.5
285.12469	4.9
287.14032	3.7
289.09409	3.3
293.12842	3.3
294.09982	5.6
297.12259	4.1
299.10236	6.4
300.29160	5.0
301.11896	4.0
311.10199	6.6
311.13553	3.9
313.11945	7.3
325.11768	6.4
326.12524	5.2
327.13400	9.1
335.10260	5.9
337.11755	3.4
339.09921	4.1
339.13455	29.7
340.10239	3.2
355.12784	11.9
367.13043	24.9
373.13925	4.4
387.14838	4.4
462.16425	3.9
462.34158	3.8
479.20212	3.8
486.34592	3.7
504.35388	5.5
520.20850	100.0
552.23541	33.7
627.24792	16.4
643.24304	4.3
666.40216	4.6
709.38666	9.0
710.39148	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54226	1.3
53.75823	1.3
55.05500	1.8
63.68276	1.2
65.03948	1.3
66.02708	1.3
67.05502	3.4
69.03428	3.2
69.07085	1.4
69.94241	6.4
70.06589	3.2
79.05470	5.0
81.03432	3.6
81.07037	4.7
84.08137	1.3
85.02917	4.2
85.06544	1.8
86.09709	2.2
87.04488	1.5
91.05473	4.6
93.07039	3.7
94.06554	5.3
95.04981	3.9
95.08611	3.4
96.08114	5.8
97.02888	1.6
97.06548	1.9
98.21401	1.8
105.07003	4.0
107.04955	1.6
108.08126	10.2
109.02881	1.4
109.06552	1.4
109.10155	2.1
110.09676	9.3
111.08110	1.8
116.04958	3.8
119.04932	1.7
119.08556	3.0
120.08150	6.5
121.02917	1.5
121.06500	1.5
121.10128	2.8
122.06046	5.5
124.07571	5.2
127.03883	3.5
135.04405	2.4
136.07574	9.0
137.06024	3.6
138.05515	1.7
138.09175	6.9
144.04420	6.9
145.02950	1.7
147.04477	1.9
148.07550	2.3
150.05470	2.4
152.07066	3.8
158.89099	1.3
160.04021	1.7
162.05547	4.5
163.03885	11.1
163.06287	1.4
163.07593	4.5
164.07079	1.6
166.08640	10.5
172.03917	29.3
180.06691	1.3
181.08560	1.8
186.09172	4.7
190.05019	3.9
203.11800	4.7
204.06558	58.8
204.08478	3.1
207.06490	1.7
212.06783	1.5
213.10234	1.4
214.08649	6.7
215.08173	2.4
227.08185	1.9
229.09787	2.3
230.10490	3.0
231.11275	2.8
237.10225	1.9
239.11827	2.3
241.09770	3.1
245.08975	1.5
249.10213	5.0
250.11032	1.5
251.11835	2.9
253.09741	2.0
255.11371	1.7
257.12823	1.7
259.10782	68.3
260.06827	1.3
260.11050	1.6
263.11774	1.7
265.09683	3.1
267.11295	2.0
271.10715	1.6
273.12347	1.8
277.09677	3.1
279.11261	2.4
283.10806	5.8
293.09128	2.2
297.12424	2.4
299.09775	1.4
299.33167	1.4
300.11133	2.0
301.11829	100.0
311.10217	2.6
316.10828	1.4
317.11270	1.7
318.12140	3.3
319.12833	24.7
324.11124	3.1
325.11926	6.8
329.11508	1.6
339.13300	3.8
342.12088	4.7
342.15808	1.4
343.12949	2.3
351.12088	3.3
354.12393	1.7
356.13828	6.6
357.10455	2.1
357.14557	10.7
358.15543	1.8
367.12952	1.4
370.15427	2.4
371.12408	2.4
372.13324	2.9
373.14059	1.6
386.14725	1.5
387.12183	1.5
394.29248	1.6
398.15247	2.3
400.16672	2.8
402.14282	1.5
404.15811	1.8
416.15826	2.5
426.14615	2.3
432.15518	2.2
442.13391	2.2
454.13794	3.3
460.15002	2.3
472.14990	5.8
474.16751	1.6
492.17703	4.5
504.17484	7.0
552.23059	3.8
595.21942	1.7
608.22455	2.9
611.23407	1.6
613.22668	4.4
625.23132	2.0
626.23383	5.6
640.24658	3.7
657.25256	6.2
658.26050	1.6
659.23700	2.0
709.39099	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48748	4.3
53.03941	7.1
55.01866	20.8
55.05509	40.1
57.03437	28.1
57.07061	4.8
61.02926	11.2
65.03941	5.8
67.05502	72.4
69.03430	16.3
69.07063	22.3
71.04993	9.9
71.19085	11.6
73.02911	7.8
78.79720	4.4
79.05497	57.7
81.03415	100.0
81.07050	63.9
83.04980	40.9
83.08621	35.1
85.02907	42.9
91.05476	75.9
93.07036	37.4
95.04961	49.3
95.08600	32.4
97.02895	18.8
97.06533	21.4
97.10175	16.9
98.07298	7.5
99.04449	5.0
99.08089	5.9
101.12312	4.8
105.07043	45.2
107.04942	21.9
107.08573	23.3
109.02861	4.9
109.06522	12.5
109.10159	21.1
111.04440	11.3
111.08085	21.0
116.04716	15.3
117.06996	12.1
118.97164	5.3
119.08562	47.0
121.06512	8.4
121.10149	23.4
123.08093	10.3
125.09608	23.8
129.05478	28.8
129.06996	22.8
131.08559	26.6
133.10109	22.3
135.08052	6.9
135.11691	10.4
135.75638	5.2
137.06027	5.1
137.09630	9.5
143.07039	6.2
145.10150	9.2
146.44066	5.9
147.08040	11.1
147.11667	36.2
149.09634	14.4
157.08612	13.4
157.10127	20.7
163.03891	9.0
163.07567	8.1
163.11200	15.2
173.11725	6.0
175.11218	23.9
189.11168	6.4
191.10617	8.7
193.12219	79.8
199.13376	10.8
209.11641	8.5
211.13293	100.0
227.12744	18.4
267.15848	41.4
283.15469	19.1
283.42203	5.1
285.16949	67.7
301.16400	75.1
334.47488	5.2
439.26624	8.7
477.28882	6.5
493.27679	25.5
494.28995	6.4
511.28937	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83021	4.2
53.03939	9.1
55.01861	6.1
55.05509	30.6
57.07066	5.2
65.03911	4.8
67.05502	97.8
69.03405	6.0
69.07061	22.7
69.46413	14.7
69.46838	21.5
71.04971	7.1
79.05487	94.8
81.03419	64.9
81.07059	94.8
83.04984	10.8
83.08611	19.6
83.83850	4.2
87.04443	4.8
89.03881	5.8
91.05482	71.7
93.06487	5.4
93.07043	98.7
93.88720	4.0
95.04974	30.7
95.08062	5.1
95.08604	56.0
97.02895	4.5
97.06515	8.7
97.10135	8.7
98.20764	8.9
103.05489	7.1
105.07025	61.0
107.04937	7.2
107.08591	41.6
109.06497	9.0
109.10144	28.1
115.05466	5.4
117.07033	22.7
119.04927	4.6
119.08556	45.1
121.10135	47.3
123.00823	4.2
123.04439	10.5
123.08051	9.2
123.11699	13.0
127.03867	4.5
127.66612	4.4
128.06207	5.1
129.07002	16.7
131.04935	5.8
131.08568	27.6
131.09399	4.7
133.06511	6.1
133.10104	29.6
135.04437	4.3
135.07977	4.5
135.11705	22.0
141.07014	4.6
143.04906	4.3
143.08549	9.1
145.02798	5.6
145.06493	13.9
145.10114	8.1
147.04410	6.0
147.07994	7.7
147.11684	23.6
149.05965	6.3
149.09601	14.2
149.13228	10.7
151.11156	5.0
153.06935	4.1
157.06476	5.7
157.10130	6.2
159.04404	19.0
159.11697	8.6
161.02324	12.1
161.06030	6.1
163.03915	60.0
165.12732	9.6
169.06552	6.2
171.08037	5.1
171.11702	4.7
173.02319	26.9
173.05937	9.3
173.13310	8.4
175.03920	9.0
175.11200	6.8
175.14832	5.2
181.06360	5.2
183.08022	7.5
185.05997	6.0
187.03862	29.4
187.07622	6.9
187.14929	5.3
193.12215	14.6
197.09616	5.3
199.03932	12.0
199.07532	8.2
201.05464	7.8
203.03264	6.2
207.08008	5.6
209.09756	4.8
211.07564	5.8
211.13269	13.4
213.05374	26.2
213.09196	5.8
215.07062	5.5
223.07639	5.5
225.05458	5.8
225.09248	4.2
227.07164	6.8
229.69724	4.6
237.09050	6.8
243.13751	4.3
255.13701	5.1
259.20569	10.2
261.22070	13.7
263.14221	4.6
265.12137	5.8
267.13708	39.3
277.21481	9.5
283.13147	6.5
309.14728	5.7
311.12738	22.4
311.16217	9.3
317.24689	6.2
327.15704	10.5
329.17288	7.1
333.24472	8.9
335.25888	22.2
337.14209	11.1
355.15424	63.3
357.16977	19.4
377.21066	4.3
429.19205	45.2
431.20645	8.0
470.68234	4.9
496.72784	4.9
569.36023	5.4
597.35950	7.0
615.36963	23.2
633.37531	30.6
661.40344	6.8
679.41895	41.1
689.40350	57.3
707.41449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05506	1.1
57.03424	0.9
59.10641	0.6
61.02911	0.6
65.03953	1.0
67.05489	2.6
69.03424	1.6
69.07047	1.7
70.06574	0.9
70.21094	3.4
73.95457	0.6
75.82262	0.7
79.05487	2.3
81.03407	2.1
81.07046	4.0
82.06577	1.0
83.08641	0.9
85.02894	3.1
91.05473	2.4
93.07035	3.9
93.32751	0.7
94.06539	4.7
95.04949	2.0
95.07347	2.5
95.08606	2.7
96.08138	6.6
97.02862	1.7
97.06531	1.8
105.07018	1.8
107.08599	1.6
108.08102	6.8
108.59527	0.8
109.02859	1.4
109.06523	1.0
109.10166	1.4
110.09675	10.4
116.10744	1.1
119.08569	1.6
120.08118	6.7
121.10129	1.1
122.06023	3.6
122.09715	0.8
123.04497	0.8
124.07636	1.4
127.03924	1.6
133.10133	0.9
135.11668	1.0
136.07581	7.6
138.09122	11.5
143.01013	0.7
145.10208	1.0
147.11682	1.6
148.07549	2.3
150.09109	1.3
152.07079	0.8
152.10703	0.9
163.03949	1.9
165.09090	0.8
166.08640	14.2
209.10619	1.6
212.16484	2.3
213.16757	1.1
215.54153	0.7
221.10713	1.4
223.12399	1.9
224.09427	1.0
225.10162	2.0
230.17406	1.1
233.10793	1.0
235.08678	3.2
236.09470	3.5
237.10236	14.7
238.11049	1.0
239.11763	2.3
241.09686	0.9
248.09319	1.8
249.10222	21.3
250.10953	5.4
251.07990	1.2
251.11809	4.6
252.08862	0.9
252.12578	1.2
253.09782	3.8
255.11337	1.6
261.10202	3.4
262.10855	1.0
263.08112	2.3
263.11823	1.7
264.08908	6.6
265.09717	13.7
266.10535	2.5
267.11292	7.9
269.09259	0.8
275.08209	1.3
276.08908	3.0
277.09705	14.5
278.10483	8.0
279.07947	1.2
279.11230	11.3
280.12094	2.8
281.09161	3.8
281.12534	1.5
283.10757	1.5
287.05414	0.8
289.09753	1.8
291.07797	1.0
291.11380	2.2
291.19632	0.8
292.08624	1.1
292.12054	2.1
293.09225	27.5
293.12811	6.4
294.09940	2.3
295.10736	3.4
297.12433	2.1
304.08444	1.0
305.09247	5.2
306.10062	2.9
307.10699	8.9
308.08057	0.9
309.08749	3.8
309.12405	5.5
310.09506	1.1
310.13162	1.2
311.10217	2.1
311.13895	1.5
312.10971	2.1
313.03461	0.7
313.11752	1.5
314.12906	1.1
316.14618	0.7
319.10757	4.0
321.12430	1.5
323.10263	4.3
324.11151	3.1
325.11868	4.5
326.12790	1.5
327.13394	4.9
328.14417	1.3
333.08835	4.1
333.14465	0.9
335.09973	1.3
337.08258	1.1
337.11850	6.3
338.12531	2.7
339.13367	14.9
340.14572	1.3
341.11365	1.2
342.12524	1.4
342.16263	1.4
343.13025	1.7
351.09778	11.7
352.14499	1.4
353.11368	3.0
353.15192	1.1
354.12228	1.6
355.12976	2.3
356.13925	2.6
357.14429	1.6
358.15482	1.7
359.16113	0.9
365.11362	5.0
366.12292	2.3
367.13290	1.2
369.10510	1.1
369.14713	1.8
370.11584	2.9
370.15649	1.2
371.12408	2.6
371.16638	1.0
372.17157	1.9
380.14264	1.2
382.11664	3.2
382.15820	1.1
383.12344	3.8
384.13309	1.8
385.13779	5.1
386.14917	1.2
397.13959	16.7
398.14819	3.1
399.10889	2.4
399.15802	1.1
400.16507	2.3
402.14270	1.3
402.18857	1.0
410.15198	0.9
415.15347	1.0
416.15732	1.1
418.17505	4.7
426.14398	1.5
428.16217	1.8
442.17593	1.5
444.15439	1.4
446.16919	6.2
454.13895	5.5
458.17136	1.4
460.18466	2.6
462.20383	1.9
472.15039	14.6
474.16574	2.4
477.18811	1.3
478.19543	4.3
486.16898	1.3
490.19788	3.0
492.17154	7.1
504.17773	4.1
518.19220	6.0
519.19879	1.3
520.20905	1.2
524.24005	8.5
536.20215	4.3
545.33063	1.0
550.21832	100.0
551.22571	41.3
551.31366	1.4
552.23328	2.5
568.22827	30.0
569.23474	1.9
607.21179	1.7
611.24512	1.2
625.22644	4.2
639.24976	3.9
657.25507	15.1
660.34790	0.8
675.26666	3.7
707.28662	2.6
707.39154	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13324	0.3
53.03933	0.4
55.01860	0.4
55.05497	0.4
59.48087	0.3
63.90799	0.3
66.83294	0.3
67.05496	1.0
69.03410	0.6
69.07077	0.6
69.47341	1.9
69.47761	0.7
70.06578	0.4
79.05472	0.7
81.07048	0.8
85.02905	0.5
91.05465	0.7
93.07002	0.3
94.06566	1.3
95.04959	0.8
96.08157	0.6
97.02901	0.3
105.07034	0.6
107.04934	0.3
108.08121	0.7
109.02884	0.6
109.10120	0.4
110.06006	0.4
113.59344	0.3
116.04965	0.6
116.10748	0.5
119.08549	0.5
119.18388	0.3
121.10170	0.3
122.06039	3.5
124.07571	1.7
127.03941	0.5
133.10158	0.4
134.06021	0.5
135.11688	0.4
136.07538	2.0
138.09117	0.8
140.07060	0.9
144.04434	2.1
150.05511	2.1
152.07031	0.5
160.07599	1.0
162.05493	0.8
166.08597	0.5
168.06560	2.0
172.03931	8.9
182.08102	1.7
183.09030	0.5
184.07626	0.4
185.08340	0.5
186.09131	0.6
187.08698	0.5
188.07059	0.8
190.04953	1.1
196.07700	0.4
196.09660	0.5
198.09209	0.4
199.04898	0.3
199.08582	0.4
200.10709	0.5
201.10219	1.4
201.81204	0.3
202.11053	0.7
203.11790	1.5
204.06566	14.4
205.06953	0.4
211.08633	0.6
212.07048	0.7
212.16502	0.8
213.06636	0.4
213.10164	1.6
213.16867	0.5
214.08766	0.8
214.10786	0.5
215.08124	1.1
215.11787	0.9
217.09750	1.3
227.08057	0.7
227.11719	0.6
228.10168	1.2
229.09734	7.1
230.10440	4.9
231.11278	2.3
232.12041	0.5
237.10451	0.3
239.08189	0.8
240.08881	0.7
241.09627	1.7
243.11333	3.8
244.12070	2.2
245.09155	0.7
245.12950	1.6
247.10779	1.3
253.09703	0.4
254.10478	0.7
255.11249	1.6
256.09641	1.3
257.09219	1.5
257.12918	3.0
258.10019	3.6
259.07187	1.0
259.10794	4.0
260.11618	1.0
265.09409	0.4
271.10770	3.6
272.11484	3.5
273.12347	12.3
274.10654	1.0
275.10349	2.4
279.11337	0.4
283.10791	0.9
287.14035	0.8
289.11813	7.4
290.12570	2.5
297.12344	0.6
299.10376	1.8
300.11005	4.5
301.11862	3.8
303.13464	0.9
305.14777	1.0
315.13391	4.8
316.11713	0.5
318.12161	3.4
319.12997	0.8
325.11847	1.3
332.13828	0.5
333.14438	100.0
334.14804	2.5
345.24738	0.4
351.15524	11.7
357.14465	1.4
399.10648	0.5
504.17538	0.6
518.19836	0.4
550.21558	1.9
599.70105	0.4
661.27039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87568	0.4
63.07288	0.4
70.27679	1.9
82.99855	0.9
86.22865	0.4
89.35267	0.4
95.47092	0.4
98.21368	0.5
101.00863	2.3
103.47255	0.4
113.00867	0.8
114.59531	0.5
119.01912	11.2
122.01402	0.6
127.02396	1.0
131.01901	3.7
137.01947	1.0
137.02943	2.1
143.01889	10.6
145.03465	6.8
147.01392	0.6
152.02386	0.8
155.01852	5.4
157.03479	2.9
161.02954	18.6
163.04465	1.2
167.01854	3.3
169.03439	2.1
171.04987	2.2
173.02959	17.0
174.03065	0.6
175.04486	1.6
179.01897	2.0
184.04637	0.7
185.02954	32.6
186.03264	0.7
187.04532	4.5
191.03960	0.8
194.72437	0.4
197.02956	12.6
199.04485	0.8
203.04004	12.1
208.04471	0.9
209.02940	1.0
215.03989	9.3
215.05988	0.3
220.04543	0.5
221.05064	1.3
224.04411	0.6
227.04019	7.3
239.03932	0.8
245.05064	100.0
246.05266	2.4
257.05087	5.6
263.06149	16.0
275.06104	11.1
284.06635	0.7
286.07620	1.1
292.45892	0.4
293.07193	3.5
304.40570	0.5
305.03711	0.6
305.07184	12.1
335.08234	4.1
347.08221	1.7
365.09296	48.7
366.09537	1.2
383.10364	5.8
401.11023	0.9
407.10138	0.5
425.11392	39.4
426.11914	1.0
437.11234	1.8
455.12506	2.0
481.62778	0.5
632.19592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1848
Annotation	Diinsinin
Peak:m/z	Relative Intensity
70.14026	0.8
70.27918	2.8
94.92982	4.2
96.92832	1.4
112.89613	11.9
114.89337	12.8
116.89132	1.8
136.94070	1.9
137.44621	0.7
176.93564	1.8
185.03000	1.0
196.87820	1.1
202.89107	1.6
212.85188	63.1
214.84966	14.7
214.86700	1.0
226.86745	16.9
230.88780	1.4
242.96771	1.0
248.89690	5.5
250.80907	1.9
250.89488	2.4
256.88770	1.2
261.92987	1.2
264.75583	2.2
286.88705	0.9
288.78421	2.6
324.82571	1.6
362.71576	2.1
362.80234	1.9
362.91455	1.6
363.07214	1.2
381.07596	1.0
419.03339	2.3
423.08371	2.0
525.12280	0.9
543.13220	37.8
544.13947	1.2
598.28809	0.9
705.18518	100.0
706.18878	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17029	0.3
53.03944	0.3
57.03429	0.4
58.14318	0.2
69.03419	1.1
70.06587	0.8
70.35706	0.7
70.36095	0.6
71.04991	0.3
81.03399	0.8
84.08118	0.5
85.02906	4.0
91.05469	1.1
95.04888	0.3
95.25906	0.3
97.02881	1.0
103.05486	0.4
105.07047	0.6
107.04949	0.4
109.02884	0.4
111.04357	0.4
115.05461	0.9
117.07020	0.5
118.56424	0.3
119.04957	0.3
127.03915	0.8
128.06189	1.2
129.07001	6.6
131.04895	1.3
131.08563	6.4
133.06494	0.3
137.05988	2.5
141.05968	0.4
141.06979	4.9
143.04970	0.3
144.05673	0.5
145.04968	1.0
145.06476	0.9
146.07259	0.4
147.04425	0.5
147.08105	0.3
149.05989	0.4
151.07507	0.4
154.05042	0.8
156.25996	0.3
157.06480	5.4
158.07256	1.9
159.08052	6.0
160.05170	0.4
161.05928	0.5
161.09573	0.7
163.07536	0.6
166.12241	0.8
167.07007	0.5
169.06456	2.4
170.07266	1.2
171.07954	0.3
172.04228	0.3
173.06010	0.3
173.09605	0.3
174.05267	0.6
174.06761	11.8
175.07515	3.0
185.05977	0.4
186.06743	2.9
187.07549	0.6
188.08295	0.4
189.09102	22.5
191.10709	1.5
201.09102	8.7
203.10638	0.3
207.10156	0.8
217.08623	0.4
219.10152	100.0
220.10487	0.9
225.08856	0.3
237.11160	1.2
253.33257	0.3
381.15445	0.7
607.21002	0.3
633.91241	0.3
671.38885	0.4
702.28882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21553	1.4
51.83660	1.4
55.05513	4.3
57.03438	3.6
57.07077	35.1
57.14223	1.3
61.02919	12.3
61.03127	1.2
65.41763	1.6
67.05496	7.1
69.03432	2.1
69.07077	5.4
69.81493	9.4
71.08632	29.2
73.02931	3.7
75.04478	2.5
81.07056	15.5
83.08615	7.1
85.02911	12.7
85.10187	16.7
91.03949	11.7
95.08611	22.2
97.02892	6.9
97.05643	1.5
97.10143	8.8
99.04438	2.1
103.07650	1.8
107.08638	1.7
107.11860	1.6
109.10148	10.4
111.11723	4.5
116.72283	1.8
118.75287	1.5
123.11685	3.6
127.03883	2.8
137.13216	2.3
145.04971	5.8
163.06010	9.1
194.39738	1.8
249.25867	3.3
267.26831	24.2
285.27762	4.4
289.76913	1.6
306.30698	1.6
332.62646	1.5
341.30518	100.0
357.94839	1.8
359.31549	16.4
457.74991	1.6
466.62476	1.5
700.44073	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27879	0.3
63.08407	0.3
71.57578	0.3
72.04009	0.3
82.47506	0.3
98.20660	0.5
121.58855	0.3
185.04257	0.6
198.92357	0.3
203.05293	1.7
204.32043	0.3
245.06267	0.3
259.08023	1.2
282.65244	0.4
335.48828	0.3
347.09610	0.9
365.10538	2.7
421.13309	0.9
507.91812	0.3
537.30341	13.4
538.30750	0.8
699.35559	100.0
700.35773	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56612	0.4
55.24045	0.4
60.63992	0.5
82.65759	0.5
120.64440	0.5
121.27314	0.5
191.44682	0.4
247.36632	0.5
259.07806	0.8
301.20297	0.6
304.62155	0.4
319.87869	0.4
347.09241	0.5
537.30322	13.3
538.30273	0.5
560.44965	0.5
699.35602	100.0
700.35822	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73128	2.4
53.03921	3.6
55.05515	3.2
63.72521	2.3
65.65405	2.3
67.05484	4.2
69.03429	4.8
69.07048	8.7
70.06587	5.8
70.81305	2.4
72.82989	2.4
79.05476	7.4
81.03446	2.6
81.07047	3.4
83.04971	2.8
85.02890	9.3
86.09701	8.0
91.05478	10.4
93.07035	9.7
94.06553	7.5
94.96804	2.4
95.04945	6.2
95.08582	4.7
96.04459	3.3
97.02858	4.6
98.21582	5.3
105.07020	3.1
106.06560	3.0
107.04954	2.7
107.08575	3.4
107.90263	2.4
108.08089	7.6
109.02887	6.1
109.06490	4.9
110.06072	4.6
111.08099	5.3
116.10706	3.2
119.08575	4.3
120.04453	3.4
120.08110	3.8
122.02373	5.3
122.06025	8.8
123.04435	2.7
124.07607	4.8
127.03880	3.9
131.91209	3.0
134.05954	3.0
134.09639	6.3
135.08095	3.5
136.07585	10.3
137.05989	4.9
138.05460	4.7
138.09120	6.2
140.03429	10.4
140.07062	9.6
146.06012	4.8
147.04425	3.9
148.03947	4.8
148.07622	3.3
149.02263	3.9
150.05554	3.1
152.07077	8.8
152.10712	4.3
154.04988	14.1
160.07565	5.8
162.05498	4.8
162.09138	30.2
163.03819	4.5
164.07037	3.2
166.08633	5.3
167.03423	4.8
180.06543	2.9
180.10187	27.3
188.07120	3.6
190.08620	9.2
198.09203	3.1
199.08641	7.0
201.10207	3.8
208.09673	75.8
211.08734	4.0
213.10231	7.1
214.08682	2.7
214.10727	4.0
215.11818	9.9
218.08090	5.8
221.08168	14.6
221.10294	2.9
227.08093	3.3
227.11830	5.0
237.10243	5.4
238.10814	3.1
239.08171	3.7
239.11729	3.1
241.09772	6.6
243.07596	4.7
243.11290	40.9
250.10814	4.9
252.08916	4.0
253.09709	3.8
255.11220	5.5
257.08908	3.2
257.12793	4.5
259.10791	3.6
265.09665	7.5
267.06305	3.2
267.11377	9.3
273.12393	8.0
274.13220	3.6
283.10687	16.1
284.08975	3.7
285.09476	5.3
285.12363	60.0
287.05472	24.1
287.10327	7.5
289.05954	3.9
293.09161	13.2
293.12082	3.0
294.68466	3.2
295.10556	2.9
301.11932	7.3
302.12766	5.2
303.10074	5.7
303.13370	61.7
306.12460	3.6
311.10208	22.4
312.08618	9.9
313.11789	4.9
315.13449	3.1
316.11514	3.8
325.11984	5.1
329.11313	12.1
330.09375	4.1
330.12827	4.5
332.10043	3.3
336.13550	5.4
339.12662	5.8
343.12817	10.8
344.11093	6.0
346.11771	3.8
347.12460	12.2
353.11343	9.3
355.12881	5.2
361.02325	4.7
361.13907	12.1
362.14948	3.6
376.12915	2.8
378.14740	4.4
379.03232	3.5
385.13855	5.6
388.13037	7.0
402.14212	4.7
404.12137	5.9
405.13037	2.9
406.13937	11.9
420.15851	3.4
422.13226	5.3
424.14938	12.7
430.13727	4.8
432.15601	3.9
446.17441	3.6
448.15002	4.1
458.13327	6.5
462.16251	3.7
466.16220	4.2
474.16644	4.9
476.14334	5.4
492.17859	13.4
510.19345	6.9
520.17151	4.3
524.20172	5.2
542.22577	4.0
595.21667	21.1
613.22888	70.4
614.21924	4.1
627.24426	5.4
631.23950	100.0
632.23621	5.2
645.25458	20.4
649.24854	18.3
663.26508	25.9
664.26910	5.2
699.39771	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05513	1.2
61.02929	1.0
65.04440	0.6
67.05502	1.0
69.03423	6.2
69.07064	1.6
69.78295	1.2
69.78703	3.3
70.06571	0.9
79.05498	2.8
79.30892	0.7
81.03413	2.4
81.07047	2.8
82.07328	0.7
83.04987	0.7
85.02894	7.5
86.09708	0.8
91.05485	2.0
91.57030	0.7
93.07054	1.5
95.04976	2.0
95.08585	2.0
97.02889	2.6
97.06538	1.0
99.04474	0.8
105.07038	1.9
107.04974	3.8
107.08588	1.7
109.02885	1.2
109.10140	2.5
109.30107	0.6
119.04977	1.0
119.08587	1.1
121.10122	1.6
123.04393	4.7
123.11725	0.8
127.03901	1.9
133.10107	1.0
135.08020	0.9
136.48235	0.7
137.05971	3.0
145.02856	1.3
145.06468	0.9
145.10097	1.1
147.04384	0.9
147.11601	1.0
155.07042	1.3
159.11673	1.0
161.06056	1.2
163.03894	100.0
163.07541	2.5
164.04224	1.6
167.03416	1.0
167.06905	0.9
173.13313	1.1
177.09128	1.0
179.07047	0.7
181.04941	92.2
182.05244	1.5
185.05972	0.9
187.07629	0.9
201.09036	0.8
203.07082	1.3
205.04955	3.7
223.05966	1.0
229.08588	2.6
245.07912	0.9
247.09659	2.4
269.07794	1.0
273.07513	1.9
281.08063	12.1
299.05890	0.9
299.09143	13.4
317.10172	25.2
318.10434	0.8
325.07010	18.5
343.08102	21.6
358.17081	0.7
361.09122	6.4
365.10117	1.2
383.11316	4.5
409.12619	1.3
427.13736	1.2
501.15067	2.2
505.13437	3.5
519.16553	6.1
537.17517	6.7
583.11835	0.9
618.39862	0.7
656.74335	0.7
699.34314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.05510	1.1
62.69678	0.4
65.03936	0.4
67.05498	1.4
69.03427	4.6
69.07066	0.7
70.06598	0.7
71.05005	0.5
71.58121	0.5
71.58517	0.8
79.05479	2.2
81.03416	1.9
81.07052	1.6
85.02905	4.3
85.06542	0.8
86.09692	0.8
89.03912	0.7
91.05494	1.1
92.75285	0.4
93.07034	1.0
95.04970	1.8
95.08609	1.4
97.02905	1.3
105.07020	1.4
107.04961	3.0
107.08549	0.9
109.02869	1.2
109.10138	1.0
117.07037	0.4
119.08587	1.0
121.02811	0.6
121.06454	0.5
123.04437	6.3
125.06020	0.7
127.03912	0.9
128.06203	0.5
135.04420	1.7
135.08049	0.7
136.04735	0.7
137.02345	0.5
137.05986	2.1
137.06992	0.4
145.02856	1.0
145.10124	0.6
147.04390	0.8
147.08047	0.8
149.05960	1.4
151.07520	0.6
157.10124	0.7
159.08038	0.6
161.05957	1.9
163.03903	100.0
163.07487	3.3
164.04237	2.2
164.07915	1.2
167.03406	1.1
167.07077	0.7
171.11736	0.5
173.05995	0.6
174.95859	0.5
175.03870	0.5
181.04953	90.6
182.05296	1.7
184.07297	0.5
187.03871	0.6
187.07494	0.7
189.09084	1.3
190.09526	1.0
191.10583	0.5
199.07494	0.7
201.09035	0.8
203.07001	0.8
203.10541	0.8
205.04993	5.8
207.06512	0.6
207.10138	5.5
208.10562	2.5
208.12282	0.5
211.07458	0.8
213.05484	0.7
223.05981	1.7
229.04962	0.8
229.08624	2.4
245.07802	0.6
247.06038	0.5
247.09741	2.4
257.04495	0.5
266.35580	0.5
273.07541	1.6
277.07196	0.6
281.08066	10.3
283.06018	0.5
287.05280	1.0
295.09564	0.5
299.06006	0.4
299.09113	13.7
317.10205	24.2
318.10483	1.5
325.06973	15.3
330.32031	0.5
341.10242	0.7
343.08069	22.7
344.08566	0.7
358.17151	0.8
359.10992	0.5
361.09134	8.2
365.10098	1.1
369.15280	1.3
370.15994	0.6
383.11142	3.9
385.09048	0.6
391.11624	1.0
409.12692	1.0
427.13815	0.6
479.15353	0.6
501.14996	2.2
505.13184	2.3
519.16595	4.7
537.17706	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28408	3.1
52.95765	3.3
55.05511	34.3
57.03435	9.9
57.07072	21.3
58.95536	3.5
61.02929	38.1
67.05499	49.6
69.03429	6.4
69.07069	61.1
70.08933	10.7
70.09333	7.5
71.08614	12.7
73.02908	9.3
79.05507	23.2
81.03400	6.4
81.07050	55.6
83.08616	51.3
85.02902	39.9
85.10172	6.2
91.03962	25.6
91.05451	5.8
93.07041	36.7
95.08611	58.1
97.02902	19.4
97.06536	8.9
97.10181	33.0
105.07005	4.5
107.08613	24.9
108.20338	3.4
109.02859	4.8
109.10138	28.9
111.08113	4.8
111.11726	14.2
121.10136	47.9
123.11707	11.2
127.03904	13.5
135.11673	31.4
136.06158	13.2
137.13243	5.1
139.11209	4.6
145.04956	9.7
145.10164	3.7
149.13254	16.7
163.06049	19.3
163.14810	5.6
165.16339	4.9
247.24236	45.2
265.25253	93.7
283.26349	19.1
306.27295	4.4
339.28888	100.0
357.30066	40.8
512.89417	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01098	3.5
51.33147	3.3
53.03953	5.6
55.05507	5.4
56.81038	3.9
57.03413	4.4
67.05498	7.3
68.97133	3.9
69.03419	13.2
69.07058	7.1
69.87602	24.3
70.06586	14.3
79.05449	3.7
80.10383	3.6
81.03410	11.6
81.07028	4.7
84.08148	7.6
85.02897	27.1
85.74438	4.1
87.00832	6.3
91.05476	6.2
93.07071	3.9
95.04951	7.3
97.02900	17.4
98.10529	4.6
99.04444	4.5
100.54782	4.3
105.01842	6.1
105.07019	7.1
107.04960	6.0
109.02882	13.7
119.08633	5.1
122.06017	14.3
127.03937	21.8
133.10081	4.5
136.07593	12.4
140.07050	22.0
145.04919	7.1
146.06035	8.5
147.02998	4.9
151.03891	4.4
152.07111	5.0
154.04971	31.8
162.05423	4.8
162.09129	11.9
163.03857	7.7
164.07106	4.8
165.01895	4.4
166.08789	4.2
172.03986	16.2
174.05513	8.4
176.07068	4.8
180.10219	5.9
190.05083	5.1
204.06543	33.8
206.08130	9.5
208.09631	20.5
215.07991	4.0
219.42538	5.1
225.10236	4.2
227.11739	5.4
229.09871	4.6
237.10204	5.8
238.11017	5.0
241.09589	7.6
243.11288	9.8
250.25267	5.5
251.11853	9.8
252.23244	6.7
253.09807	9.7
259.10757	6.5
265.09750	8.2
267.11234	7.1
271.10696	6.9
274.73535	5.0
276.23126	7.2
279.11273	9.9
283.10837	4.6
285.12283	12.5
287.05472	100.0
288.05856	9.0
293.09192	5.3
299.10101	6.7
299.13669	5.8
301.11856	12.4
303.13324	14.7
308.11548	4.8
309.12302	5.5
312.11234	4.2
313.11765	21.4
319.12796	5.7
325.11722	9.2
327.13446	22.8
328.13943	4.3
331.13126	5.1
333.14401	8.6
334.14883	17.3
335.14893	13.4
337.11847	8.0
339.13486	40.2
340.14056	4.8
345.14584	7.0
353.11292	7.9
355.12799	16.8
363.15533	5.1
367.12817	24.1
368.13770	4.2
381.10730	5.9
385.14209	7.2
386.14908	6.1
399.15274	8.8
415.15433	7.5
416.16028	6.8
424.13504	4.6
440.14267	9.1
472.14886	4.4
474.16611	16.0
475.30811	12.2
475.97321	5.4
490.16144	23.7
504.18051	4.8
508.20908	38.1
522.18634	8.0
526.21460	6.5
534.32141	5.3
535.32935	9.9
540.23474	42.5
615.24310	37.6
629.21887	7.4
633.25610	7.4
640.56293	4.1
647.23260	4.5
697.28369	6.2
697.38007	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05130	1.7
53.03935	2.8
56.61310	2.0
57.03426	2.8
61.02918	2.8
67.05499	5.3
68.30283	1.7
68.99782	2.3
69.03428	11.6
69.07060	7.1
70.06612	9.6
71.28463	4.1
73.02930	2.3
79.05500	2.0
81.03413	9.5
81.07082	3.6
85.02896	24.1
87.00819	4.1
92.93502	2.1
94.06575	3.3
95.08597	2.0
97.02901	9.6
99.04488	2.1
105.01847	5.8
105.76806	2.0
108.08183	2.1
108.52843	2.0
109.02889	11.8
109.06544	1.8
109.10134	4.0
111.08064	2.2
112.18721	1.9
120.08085	2.1
121.02886	2.8
122.06033	8.4
123.04447	6.3
127.03941	12.4
134.06087	2.9
136.07553	3.3
138.09160	1.7
140.07065	9.6
145.04964	6.2
146.05977	2.5
147.04439	2.3
148.07596	2.3
152.07117	3.7
153.01796	4.2
154.08630	4.4
159.02893	3.2
160.07529	2.5
162.05421	2.3
172.03926	8.4
174.05577	3.6
176.07088	6.3
194.08099	5.1
201.10107	2.2
204.06477	3.3
206.08144	3.0
208.09595	2.5
211.04044	1.9
211.16933	2.7
225.10178	11.5
229.09824	2.1
230.10248	3.3
234.87611	2.2
237.10286	6.1
238.10965	3.6
239.11905	3.6
240.12659	4.5
243.11241	2.3
245.09277	2.6
249.10214	3.1
250.11105	2.9
250.25284	8.4
251.11884	4.2
251.25699	7.2
252.12477	2.8
252.23283	2.9
253.09737	11.3
253.23512	3.1
259.10660	4.5
265.09744	9.9
266.10428	2.3
267.11337	5.7
277.23627	2.6
279.11276	8.1
280.11810	2.4
281.12842	2.3
283.10977	3.0
285.12433	6.5
287.05484	100.0
288.05856	5.5
289.11978	2.6
293.09216	17.0
293.12485	3.8
294.09973	17.8
295.10782	10.6
295.14258	2.5
297.12424	9.4
299.10504	2.4
299.13901	6.6
300.11102	3.4
301.11798	6.6
303.13547	3.7
307.10770	2.2
309.12323	27.7
311.13608	2.5
312.11096	5.0
312.25320	8.7
313.11765	7.6
313.25482	3.1
315.13501	2.2
318.12103	4.2
319.12784	3.1
324.10980	2.9
325.11810	7.5
326.12646	2.3
327.13321	24.8
331.13013	4.4
333.14401	10.4
334.14621	16.1
335.10526	2.3
335.15100	8.5
337.11740	3.3
339.13428	35.6
340.13974	5.7
341.14932	4.6
345.14435	4.8
351.13562	6.3
353.11356	8.1
367.12854	33.1
368.13638	6.7
369.14392	50.9
372.13455	3.4
372.27390	5.2
373.16513	4.0
373.27832	4.7
385.13995	5.7
386.15170	2.7
399.15564	4.2
401.16943	13.3
414.14557	2.6
415.15250	4.4
416.15909	5.2
434.17084	2.8
446.16891	3.0
474.16785	6.3
475.17316	4.7
476.18069	2.9
480.20996	2.3
482.22833	7.0
492.18088	3.9
508.20801	91.6
508.28290	4.7
509.21347	8.1
526.21912	6.0
535.33215	3.8
540.23517	37.8
597.23383	3.6
615.24469	26.4
633.25824	4.5
637.35486	2.9
647.25433	2.3
679.27057	2.4
697.27283	1.9
697.38239	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88000	1.0
53.83749	1.1
55.05499	1.9
56.18343	1.2
67.05497	3.1
69.03441	2.8
69.07058	5.6
70.06581	1.6
71.58509	2.2
79.05530	2.4
81.03378	1.3
81.07050	2.1
83.34560	1.1
84.08154	2.7
84.47895	1.0
85.02928	3.4
91.05492	2.5
93.07050	2.5
94.06564	10.9
95.04972	2.7
95.08596	2.8
97.06540	1.8
107.08602	1.9
108.04491	1.5
108.08102	1.5
109.02882	1.7
109.06547	1.2
110.06078	1.6
116.04984	1.7
117.12993	1.3
118.06547	1.4
122.06025	30.3
123.04373	1.7
127.03881	1.6
131.08569	1.2
136.07571	1.7
137.05980	2.7
138.05530	2.0
138.09131	1.7
140.07056	36.5
144.04472	3.5
146.06026	13.0
147.04399	1.3
150.05574	1.8
152.07056	2.0
160.03877	1.2
160.07581	1.4
162.05518	3.5
163.03935	1.7
166.08620	1.7
172.03935	33.6
174.05502	11.5
174.09181	1.8
176.07100	2.0
178.08571	1.3
179.03406	1.5
186.09174	4.1
187.08681	2.2
188.09372	2.0
190.05000	3.7
191.05739	2.0
192.06532	3.0
201.10283	1.7
202.11005	4.6
203.11749	4.4
204.06557	56.9
206.08115	18.8
213.10185	2.1
214.08699	8.6
215.08237	5.4
215.11943	1.2
217.09785	1.2
225.10141	1.3
227.08090	2.8
227.11815	1.4
229.09694	5.7
230.10506	4.1
231.11308	5.6
235.08743	2.0
237.10246	4.2
239.11722	1.7
240.09059	1.5
241.09694	3.9
242.08078	2.1
243.11336	4.6
244.11884	1.6
245.09233	3.3
248.09264	1.4
249.10260	5.4
250.10991	2.0
251.11786	3.7
253.23489	1.4
255.11345	2.1
257.09171	2.3
258.09885	1.2
259.10785	70.8
261.12335	1.7
263.07968	1.5
263.11981	1.8
265.09769	5.0
266.10385	1.5
267.11172	2.7
271.10782	4.5
272.11649	1.9
273.12308	4.6
274.16162	1.5
277.09702	2.9
279.11359	3.9
281.09283	1.9
283.10703	6.3
285.09067	1.3
285.12347	5.1
287.05371	1.9
287.10138	2.7
293.09174	3.7
294.24368	1.8
295.10892	1.3
297.12119	1.9
299.10287	1.9
300.11133	3.7
301.11823	100.0
302.12439	1.8
309.12381	2.8
311.10263	2.8
313.11761	11.7
317.11426	2.7
318.12186	8.4
319.12878	21.8
323.10028	2.2
325.11835	2.4
327.13385	2.3
331.13065	7.2
333.14511	2.8
334.14871	3.1
335.15088	2.1
336.12994	1.4
337.11795	2.2
339.13565	3.0
342.12476	1.9
343.13226	1.3
344.13931	3.2
345.14447	19.4
353.11392	3.7
355.12866	1.7
356.13779	2.7
358.11646	2.2
358.15726	2.5
363.15295	2.7
367.12933	3.5
368.14078	1.6
369.14722	2.8
371.12289	1.9
372.13303	2.4
385.13940	1.7
386.14926	3.6
400.12823	2.0
402.14374	3.7
414.14523	3.1
415.15198	1.6
420.15649	1.7
428.15985	2.8
432.15375	3.4
444.15564	1.3
446.17017	2.9
456.15472	4.2
460.14539	1.9
462.16721	1.5
472.14920	2.6
473.15726	3.5
474.16577	16.8
475.17087	1.3
476.18311	1.8
480.17932	1.5
488.17957	4.1
490.16229	2.6
492.17621	3.5
504.17648	3.1
505.18301	5.2
506.19070	4.2
508.20367	3.8
522.18628	2.8
524.17572	1.3
535.32941	2.0
540.19940	4.2
601.22821	4.6
613.22784	1.8
614.23804	6.9
615.24512	2.5
632.23779	1.4
662.25568	1.6
697.37732	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1604
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
52.79097	0.5
53.03936	1.1
55.01871	0.8
56.16497	0.5
57.03415	2.1
61.02928	0.8
67.05479	0.9
68.99788	1.0
69.03421	4.5
70.94196	1.3
71.04987	10.9
73.02909	1.3
80.92028	0.6
81.03409	5.5
83.04963	2.2
85.02901	16.7
86.09710	0.8
87.00819	5.1
91.05463	0.9
93.03409	0.7
97.02884	2.7
99.04443	2.4
105.01851	2.6
105.06998	0.8
109.02874	4.5
109.10175	0.7
111.04429	3.1
121.02879	1.2
122.06010	1.0
124.04053	0.5
127.03914	6.9
128.05359	0.6
129.05467	4.9
134.74516	0.6
137.02299	2.0
145.04929	2.3
147.06566	0.6
148.07561	0.6
153.01785	3.9
156.06546	1.3
157.04980	0.8
159.02863	2.2
162.09094	1.5
163.03906	0.9
165.01794	1.8
177.32646	0.6
180.10100	1.6
183.02954	0.9
201.05469	1.3
206.08080	0.8
208.09712	4.0
215.05479	0.9
219.06445	0.7
229.04874	2.7
231.05014	1.1
245.09283	0.8
247.05891	0.7
257.04510	2.0
259.10724	3.9
271.10690	0.7
273.12228	0.7
285.03964	0.9
287.05484	10.6
287.10294	1.0
301.11725	1.7
303.04971	100.0
304.05542	1.4
308.82837	0.6
319.12808	5.4
327.13171	0.7
335.12198	0.7
344.10977	0.6
345.06024	0.9
345.14664	1.2
361.13867	0.7
363.15503	4.4
405.99435	0.7
441.09927	0.6
445.61557	0.7
457.31091	0.6
551.09625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1602
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03935	1.1
55.01867	1.1
57.03429	0.5
61.02912	0.7
68.99773	1.0
69.03422	3.9
69.38359	2.0
69.41534	0.2
71.04988	0.4
73.02903	0.7
75.37115	0.2
80.43697	0.2
81.03416	4.9
83.01323	0.2
85.02901	6.6
87.00831	3.1
88.75495	0.2
97.02882	2.7
98.20795	0.5
99.04475	1.6
105.01868	1.9
109.02875	4.0
111.00793	0.6
117.01833	0.6
121.02868	2.4
123.38280	0.2
127.03906	5.6
129.01811	0.4
133.02809	0.5
137.02322	0.6
140.85616	0.2
145.04941	1.9
147.02798	0.3
147.04427	0.4
153.01825	2.6
159.02875	2.5
165.01836	1.4
183.02853	0.8
185.05956	0.3
189.05566	0.2
213.05482	0.9
221.12318	0.2
231.04916	0.6
231.06792	0.4
236.46970	0.2
241.05006	0.8
255.43042	0.2
258.05255	1.1
259.06021	0.4
287.05481	100.0
288.05875	1.4
329.06522	0.5
370.87216	0.2
449.10791	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01856	1.2
57.03416	0.9
60.81993	0.3
61.02914	0.6
68.99787	0.9
69.03426	5.2
70.04655	1.1
70.05067	0.7
70.06583	0.5
71.04989	0.8
73.02895	1.1
78.88572	0.3
79.05479	0.3
81.03422	5.4
83.01338	0.4
85.02900	10.7
87.00831	3.1
91.03917	0.4
91.05440	0.3
95.05006	0.4
97.02886	4.5
99.04449	1.5
105.01873	2.6
107.04942	1.0
109.02871	4.7
117.01852	0.9
120.08025	0.4
121.02885	2.4
121.06428	0.3
127.03913	7.9
129.01823	0.4
135.04347	0.6
136.07616	0.6
137.02322	0.8
142.04916	0.3
145.04964	2.5
147.02922	0.4
147.04375	0.5
153.01822	4.8
156.06519	0.9
157.06477	0.4
159.02917	2.5
162.09167	0.7
163.03847	0.8
165.01822	1.4
167.07021	1.1
175.07538	0.6
180.10202	0.6
183.02866	0.6
193.08533	0.3
208.09706	2.0
213.05411	0.9
219.32329	0.4
231.04955	1.0
231.06824	0.5
235.27602	0.3
241.04933	0.6
245.09164	0.6
258.05112	0.8
259.10709	0.3
278.08026	0.4
287.05484	100.0
288.05746	1.8
299.05640	0.3
301.11719	0.6
319.12808	1.3
329.06403	0.4
331.12869	0.5
335.12354	0.5
345.14572	0.7
354.14069	0.5
363.15637	2.3
449.10785	14.0
450.10791	0.4
535.10571	0.5
595.28418	0.3
697.26563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
53.75542	0.2
55.01860	0.4
57.03139	0.2
57.03419	0.2
61.02938	0.5
68.99794	0.6
69.03425	3.1
70.06593	0.6
71.04987	0.4
71.57166	0.5
76.20824	0.3
79.05485	0.4
81.03416	2.3
84.08125	0.3
85.02909	4.1
87.00818	0.9
87.04453	0.3
91.05505	0.5
93.07040	0.7
97.02295	0.4
97.02890	5.8
99.04430	1.1
103.78452	0.3
105.01794	0.3
107.04989	0.5
109.02895	1.6
109.10164	0.3
111.00793	0.5
120.04508	0.3
120.08184	0.3
121.02858	2.6
122.06013	0.6
124.03949	0.8
125.68635	0.2
127.03909	2.3
133.02823	0.6
133.10112	0.4
134.09651	0.3
135.08086	0.4
136.07559	0.8
137.02310	0.8
140.07144	0.3
142.04985	0.5
145.04936	1.9
145.06561	0.5
147.04402	0.8
148.03954	0.3
153.01802	3.0
154.04985	0.2
154.08594	0.3
156.06580	1.9
162.09105	1.8
163.03787	0.3
164.07072	0.9
165.01866	1.3
175.14832	0.5
180.06480	0.4
180.10216	1.7
183.02921	0.8
185.05997	0.5
186.09250	0.4
192.06697	0.3
205.35646	0.3
208.06049	0.2
208.09680	5.3
213.05437	1.4
214.08589	0.5
229.09679	0.5
231.06589	0.4
231.11185	0.3
241.04857	0.8
243.11168	0.6
245.09177	0.8
258.05231	0.7
258.11310	0.5
259.06122	0.5
259.10809	1.8
267.11185	0.4
271.10870	0.7
277.38876	0.2
285.12415	0.4
287.05490	100.0
288.05762	0.8
295.10770	0.4
299.10104	0.3
301.11761	1.4
313.11844	0.4
319.12845	3.2
327.13141	0.7
331.12848	1.0
335.12466	1.1
337.13815	0.5
344.11404	0.4
345.14456	1.1
346.12640	0.4
353.06372	0.3
363.15549	3.9
449.10818	3.7
535.10797	2.1
665.23669	0.3
697.27899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
67.05497	9.1
69.03422	4.2
69.07055	5.1
70.06592	5.4
79.05474	4.2
81.03421	5.1
81.07040	4.7
83.04987	3.9
85.02895	5.1
85.06519	3.7
86.09692	2.8
91.05448	5.0
93.07053	5.8
93.34529	2.3
94.06566	5.7
95.04960	7.2
95.08594	3.1
97.02869	2.5
97.06514	2.5
98.07775	2.7
98.20761	7.4
105.07015	3.5
106.06466	2.3
107.08582	3.2
109.02813	2.4
119.08606	2.6
120.04431	2.9
120.08119	3.0
121.10086	4.0
122.06041	11.8
124.07615	7.5
133.10146	3.4
135.08037	2.8
136.07579	5.1
137.05971	4.2
138.05525	21.8
140.07028	10.6
140.54982	2.5
145.10104	3.4
146.05998	3.7
147.04425	3.1
148.07516	2.8
150.05528	3.2
152.07082	5.3
160.03961	3.1
160.07542	5.1
161.05882	3.0
162.05461	2.8
162.52147	2.3
163.03891	4.7
163.07500	2.4
164.07025	2.8
167.07016	2.9
172.03903	9.8
174.05490	4.1
174.09126	2.4
176.07137	2.8
186.09056	6.0
190.04962	5.0
190.08746	3.7
199.08543	3.4
201.10245	2.6
203.11804	6.9
204.06523	7.4
206.08122	3.6
210.09154	3.0
213.10211	7.1
214.08597	11.9
214.10495	2.8
215.08356	4.9
215.11763	4.1
225.10271	5.3
227.11824	2.6
228.10149	2.9
229.09666	4.8
230.11188	4.0
231.11304	6.1
237.10199	6.2
239.09531	24.1
239.11778	5.1
240.10197	3.8
241.09692	10.1
242.08101	3.6
243.11282	32.5
252.08948	2.9
254.08194	3.3
255.11246	15.0
256.09729	3.2
256.12225	3.8
257.12872	6.8
259.10764	94.5
260.11050	3.3
265.09708	8.7
266.08154	7.1
267.11234	4.1
269.09134	6.2
273.12280	7.8
282.11169	3.0
283.10767	20.0
285.12341	32.7
287.10251	19.5
297.12488	4.1
299.10184	2.4
301.11832	69.8
303.13379	99.9
309.12122	2.9
311.06558	3.4
311.10239	68.1
313.11807	15.7
325.11765	5.3
326.10202	3.8
329.11282	9.5
330.12463	3.1
333.14462	100.0
343.12854	43.0
344.13895	3.1
351.15527	14.8
372.13617	2.4
440.97748	2.6
447.12579	4.4
543.22211	6.9
545.23462	3.5
563.93378	3.0
571.21613	16.2
595.21570	7.4
613.22870	96.7
614.23053	3.9
627.23798	8.0
645.24176	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63464	1.3
62.78390	1.5
67.05479	3.9
69.03398	2.0
69.07062	3.0
70.06561	1.9
71.57566	2.0
80.05008	2.0
81.03369	2.1
85.02897	3.2
93.05774	3.4
93.07047	1.6
94.06521	2.2
97.37029	1.7
99.04410	1.6
107.07345	1.7
108.08108	57.2
109.06525	1.7
120.08071	2.5
122.06027	2.5
124.07610	1.7
127.08797	1.6
134.09601	2.6
136.07567	100.0
137.97928	1.6
138.05478	4.4
138.09131	6.4
140.07030	6.0
146.05989	4.6
148.07523	2.3
152.07120	1.9
154.08614	1.9
162.09039	1.7
163.03847	3.1
164.07094	11.5
166.08612	3.1
167.07051	1.6
174.05449	3.9
190.08659	3.3
199.08705	1.9
204.06627	2.8
206.08188	3.8
211.08598	5.4
212.01991	1.5
212.09372	2.7
213.10204	3.0
215.08156	3.0
216.10388	1.5
218.08095	4.4
224.10655	2.1
225.10208	6.5
226.10951	1.9
227.08128	4.6
239.09685	2.0
239.11696	7.7
240.09091	2.2
240.12393	1.8
241.09656	5.0
241.13289	1.8
242.10416	2.2
249.10051	2.9
253.09747	7.3
254.10344	2.9
255.07532	2.7
255.11220	5.8
257.12872	3.2
259.10733	2.4
267.11252	11.7
268.12149	1.8
269.09259	2.1
269.12927	3.4
273.08725	2.7
281.09222	2.7
282.99124	1.8
283.10791	4.7
284.11441	1.8
285.12378	5.7
295.10733	9.3
297.12375	10.2
298.10156	1.8
299.10104	4.8
299.13589	2.1
300.11017	3.1
301.11691	2.7
303.13367	2.8
311.10001	3.4
313.11783	48.6
314.12265	3.1
323.10269	6.3
328.10654	3.4
341.11264	40.2
342.11801	4.3
343.12885	2.6
346.11536	2.3
355.12784	3.6
359.12354	5.8
360.13116	3.9
361.13806	2.3
371.15164	1.8
373.13876	52.3
389.14651	1.9
411.15564	1.9
416.16019	2.0
448.18735	1.9
452.18158	4.8
453.18732	1.7
454.19711	2.3
464.17987	2.8
476.17969	5.3
480.17612	12.8
481.17746	3.5
482.19196	18.7
494.19028	4.0
495.19940	4.4
512.20142	4.3
513.20795	2.3
514.21820	7.9
599.24725	5.9
601.26514	9.6
603.24139	4.1
609.24054	2.3
617.26038	19.4
627.24481	11.8
628.22137	2.7
645.15656	2.4
645.25439	38.3
649.28339	1.7
659.26556	9.0
677.27991	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05506	0.6
67.05489	1.6
69.03429	0.4
69.07053	1.1
70.06592	0.5
71.58592	0.9
77.31962	0.4
79.05464	0.4
81.07050	1.1
84.08122	0.8
85.02884	0.6
86.09695	2.5
91.05468	0.8
93.07022	0.5
94.06557	3.8
95.04994	0.7
95.08595	0.5
100.11221	0.6
105.06964	0.4
108.08102	0.9
109.02862	0.4
110.06014	0.7
111.04444	0.4
112.07617	0.6
116.04974	0.7
120.08107	3.9
122.06025	8.8
123.04420	0.5
124.07556	0.8
126.05521	0.7
128.10735	0.4
133.10100	0.6
136.07556	1.3
140.07059	8.6
144.04463	1.2
146.06012	2.7
150.04465	0.3
150.05461	2.2
159.07712	0.5
160.07588	0.7
161.07103	0.6
162.05513	1.1
164.07008	0.5
168.06570	1.8
168.07886	0.4
168.23390	0.4
172.03932	7.3
173.04573	0.4
174.05489	2.3
182.08145	1.5
184.07581	0.4
185.10854	0.4
186.09122	0.5
186.55133	0.5
188.07016	0.6
189.10229	0.4
196.09761	0.4
199.08597	0.9
200.10693	0.5
201.10179	0.7
202.10957	0.7
203.11760	1.1
204.06544	11.6
206.08141	2.3
211.08621	0.9
213.10246	1.5
214.06963	0.5
214.08829	0.6
214.10811	0.4
215.08177	0.9
215.11732	0.8
217.09688	1.0
227.11768	0.7
228.10114	1.2
229.09705	7.8
230.10448	5.0
231.11252	2.1
239.08192	0.6
239.13838	0.9
241.09697	1.9
242.10551	0.5
243.11330	3.0
244.12035	2.2
245.09264	0.9
245.12811	1.8
247.10774	1.4
254.10522	1.0
255.11330	1.2
256.09610	1.5
257.09216	1.6
257.12811	3.9
257.15042	0.5
258.09937	3.1
259.06842	0.4
259.10748	4.0
260.11392	1.7
261.12091	0.5
271.10739	2.9
272.11456	3.3
273.12323	10.7
274.10431	1.3
275.10178	2.3
283.10782	0.8
285.12189	0.6
287.13852	0.9
288.12155	0.5
289.11807	7.4
290.12518	2.7
291.13522	0.5
299.10242	1.8
300.10965	3.8
301.11935	2.8
302.12216	0.6
303.13217	0.6
305.14984	0.8
312.25522	0.5
313.11798	3.4
315.13348	5.3
318.12094	3.2
319.12787	1.8
320.13187	1.1
321.13580	0.6
331.12833	1.3
333.14417	100.0
334.14813	2.4
345.14438	3.0
351.15503	13.9
372.27203	0.6
421.17151	0.6
444.34042	0.4
695.49487	0.6
696.37646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30354	1.9
55.05502	6.1
56.05014	2.3
57.07076	3.6
60.04525	56.0
62.56056	1.8
67.05496	8.3
69.07050	10.2
70.46492	6.8
71.04993	6.8
71.08622	2.5
72.04507	2.1
74.06079	4.2
74.92759	1.9
79.05496	5.4
80.05032	2.9
81.03401	11.7
81.07043	12.0
83.08614	3.2
85.02903	5.9
85.06548	3.7
91.05486	3.5
93.07050	8.1
94.06590	4.9
95.04993	2.9
95.08610	18.0
97.02847	2.3
97.06536	8.7
98.06050	5.3
99.08096	2.9
105.06998	5.6
110.09698	4.3
111.08083	4.9
122.09663	8.7
123.08061	17.3
128.10672	12.1
140.10701	84.0
141.09087	9.4
158.11778	12.0
176.12782	9.1
196.02155	2.1
284.21436	2.1
311.70346	2.1
345.78619	2.3
356.35190	3.6
466.43060	2.2
478.42896	5.2
496.43530	33.7
514.44653	100.0
515.44897	2.4
532.45856	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.8
57.03426	7.3
57.07059	3.0
61.02921	36.5
67.05502	82.2
69.03424	10.5
69.07057	14.4
70.70915	3.2
73.02910	10.1
79.05494	52.0
81.03422	6.9
81.07049	84.9
81.07528	6.0
83.04988	5.5
83.08607	9.8
85.02902	40.2
85.06545	4.7
91.03954	38.1
91.05484	34.8
93.05519	4.2
93.07040	61.1
95.08605	58.2
97.02891	21.8
97.10188	3.6
99.08118	3.7
105.07014	29.0
107.08585	44.2
109.06474	3.8
109.10149	31.4
111.08100	4.7
117.07024	12.6
119.08572	23.9
121.10142	41.4
123.11665	17.1
125.09607	4.4
126.31273	3.3
127.03861	15.8
131.08554	25.3
133.10121	17.2
135.11673	30.2
137.13246	9.8
139.74274	3.7
143.08575	5.3
145.05000	20.8
145.10077	17.7
147.11693	12.4
149.13277	17.6
151.14880	3.3
159.11694	17.9
161.13260	14.0
163.05992	34.8
163.14796	16.2
171.11748	3.3
173.13216	16.3
175.14865	4.6
177.16315	7.0
179.14288	3.6
187.14854	8.1
201.16478	6.3
243.21068	40.7
261.22116	100.0
279.23132	4.4
303.23154	5.8
327.47375	3.3
335.25772	14.2
351.23285	4.5
353.26791	48.2
369.24344	11.6
387.25266	10.1
405.26312	13.2
518.62482	3.6
533.50891	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14939	7.9
53.03928	12.3
55.05490	24.5
57.03423	43.2
57.27203	8.7
61.02906	37.0
62.36781	7.8
64.16338	9.6
67.05175	10.1
67.05500	95.6
69.03413	39.6
69.07056	20.3
70.01263	21.3
70.01671	30.2
71.04985	8.0
73.02895	24.3
75.04462	14.6
79.05499	73.0
81.03418	49.9
81.07039	89.3
83.04992	14.4
83.08611	16.0
85.02898	75.7
91.03949	48.0
91.05479	69.7
93.05515	73.5
93.07037	98.3
95.04964	32.3
95.08599	100.0
97.02898	50.6
97.06541	9.6
99.38660	8.7
105.07019	58.9
107.04946	10.1
107.08599	51.5
107.62559	9.1
109.06522	8.8
109.10146	39.1
111.84331	7.5
117.07014	39.9
119.08543	32.0
121.10130	52.7
123.11690	22.8
127.03902	18.9
129.06996	14.3
131.08571	49.4
133.06447	15.1
133.10109	42.3
135.08017	11.8
135.11690	32.7
136.74286	8.0
143.08511	25.6
145.04939	34.6
145.10139	46.1
147.11697	26.2
149.13297	10.4
157.10132	17.7
159.11687	24.0
161.13211	21.5
163.05998	63.3
171.11635	20.6
173.13258	27.7
173.99280	11.4
183.11613	11.8
185.13200	10.5
187.11176	10.4
187.14856	11.5
193.10063	8.9
201.16412	9.2
205.12137	10.0
243.21268	10.4
259.20447	10.0
261.22107	21.1
277.21698	14.7
301.21503	15.8
303.23218	17.6
315.22983	13.5
327.23193	13.9
335.26013	8.8
345.24243	11.1
351.23138	13.8
369.24185	66.8
387.25436	57.9
405.26126	53.4
415.92651	10.3
423.27310	26.3
462.61777	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.05514	14.2
57.03439	8.8
57.07056	2.9
57.29066	2.7
60.07727	2.4
61.02929	32.1
63.36019	2.0
65.23751	2.1
66.48299	2.0
67.05503	74.2
69.03400	2.1
69.07069	11.3
70.62544	8.1
71.04998	4.9
73.02919	8.4
79.05491	43.2
81.07050	70.3
81.31541	2.2
83.08605	6.6
85.02901	42.7
85.06541	3.4
85.66579	2.1
88.45699	2.1
91.03952	27.6
91.05481	20.7
93.07042	51.6
95.04958	3.8
95.08604	63.8
97.02882	19.4
97.10146	2.9
99.04456	3.5
99.08079	3.7
105.07028	21.5
105.18957	2.4
107.08595	37.2
107.09289	3.1
109.10150	40.4
113.88438	2.2
115.03899	3.5
117.07031	6.9
119.08588	13.3
121.10143	34.4
123.11713	15.7
127.03915	10.9
131.08556	21.2
133.10130	17.4
135.11705	27.0
137.13268	7.3
139.11198	2.8
145.04956	17.6
145.10110	12.6
147.11665	13.4
149.13239	20.3
151.14824	3.0
159.11697	13.8
161.13254	12.8
163.06035	24.6
163.14825	11.9
165.12846	2.8
173.13277	17.9
175.14861	3.6
177.16403	5.5
179.14268	4.2
187.14789	11.2
194.37389	2.3
201.16400	3.6
205.15956	3.1
212.61412	2.3
215.17886	2.2
233.22603	3.3
243.21094	38.7
261.22119	100.0
279.23288	4.4
335.25867	28.1
353.26883	44.0
399.77490	2.2
483.75235	2.5
497.30893	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.5
57.03420	4.4
61.02920	22.2
67.05502	46.6
68.82673	2.5
69.07060	10.1
70.09901	13.1
73.02904	10.3
79.05488	22.2
81.07059	51.2
83.08617	4.2
85.02901	29.8
85.06501	3.0
91.03957	27.7
91.05483	13.3
93.07037	38.9
95.08602	43.2
97.02885	12.4
103.66169	2.3
105.07026	13.2
107.08595	25.7
109.10157	26.5
110.33336	2.3
117.07021	5.7
119.08579	11.2
121.10127	23.7
123.11741	14.6
127.03899	10.2
131.08566	15.2
133.10135	8.0
135.11708	20.6
137.13286	8.6
145.04958	16.7
145.10130	10.1
147.11688	10.3
147.91902	2.3
149.13239	18.6
159.11703	9.7
161.13229	5.5
162.01335	2.4
163.06026	25.2
163.14841	13.9
173.13257	11.3
175.14668	2.9
177.16396	5.4
187.14761	5.6
201.16377	2.8
233.22649	3.1
243.21048	31.4
261.22113	100.0
279.23047	4.4
306.36942	3.2
335.25812	20.0
353.26852	41.0
543.81256	2.9
544.75659	2.7
595.12195	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06284	11.6
71.58448	15.8
75.91905	9.5
105.86746	11.3
134.78290	9.0
136.48468	11.2
194.07104	10.9
346.31223	10.1
446.17798	11.9
459.22144	15.7
475.21408	23.5
576.98456	13.0
579.25775	12.9
606.27991	29.6
609.26996	14.3
621.27765	19.4
622.27740	100.0
637.26007	17.2
638.27588	18.1
694.28601	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
55.05492	0.5
56.60943	0.4
58.03149	0.4
64.51830	0.4
65.96148	0.4
70.06554	0.5
71.02729	1.2
78.50630	0.4
79.05461	0.7
81.07049	0.4
83.04977	0.4
89.03893	0.7
91.05444	0.5
93.07012	0.6
94.06541	1.3
95.04948	0.5
96.08148	0.9
97.02825	0.5
97.06506	1.5
100.84481	0.4
108.04468	0.8
108.08067	1.1
110.06038	1.3
110.09684	1.0
112.36949	0.5
116.04948	1.5
120.08085	1.1
122.06010	2.8
124.07604	3.3
136.03871	0.5
136.07564	3.0
137.05959	0.9
138.09099	1.3
144.04430	3.2
146.05997	1.0
148.07542	0.7
148.90929	0.4
149.07114	0.6
150.05486	1.5
152.07066	2.4
158.09599	1.1
160.07529	1.5
162.05470	1.9
164.07047	1.5
166.08614	1.8
168.08028	0.4
170.09698	0.6
172.03937	14.4
172.07530	0.8
172.11256	0.5
174.09151	0.7
175.12260	1.1
184.07611	0.5
185.10748	0.6
186.09152	5.0
187.08649	1.6
188.07132	0.5
188.09412	1.4
190.04955	2.5
190.08551	0.5
196.07649	0.6
198.09135	1.3
199.12306	0.5
200.07088	0.6
200.10696	1.7
201.10239	1.2
202.08450	0.5
202.10988	2.8
203.11804	5.6
204.06555	23.3
212.09288	0.7
213.10197	2.0
214.08653	9.9
215.08139	4.7
215.11546	0.5
216.08759	0.9
217.09712	0.8
225.10294	0.7
227.08046	0.7
227.11757	1.6
228.10260	3.2
229.09648	2.0
230.10641	1.1
231.11270	6.8
240.09045	0.5
241.09714	2.3
242.08064	1.8
245.09229	1.1
245.12784	0.8
247.10799	1.2
253.09663	0.7
255.11292	5.0
256.09644	2.8
257.09253	1.0
257.12891	1.4
258.09988	0.7
259.10776	76.7
260.11139	1.9
267.11395	0.6
269.12854	1.9
271.10693	1.1
272.11569	0.6
273.12354	7.1
281.73141	0.5
283.10825	3.4
285.12250	0.6
287.13916	1.4
297.12274	1.0
301.11826	54.9
302.12131	1.6
313.11710	0.7
318.11813	0.9
319.12875	100.0
320.12952	2.2
325.11816	3.4
335.12433	1.2
337.13925	19.5
343.12997	1.0
357.14474	2.1
371.12482	0.5
453.56165	0.4
504.17334	0.6
625.23114	0.9
643.23871	1.3
701.11450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.2
58.33251	1.9
59.64923	1.8
67.05499	7.0
69.03413	5.0
69.07057	4.2
70.06578	4.7
70.74658	7.2
71.04973	2.8
72.61256	1.7
77.11624	1.7
78.29335	1.9
79.05491	7.8
81.03407	4.0
81.07046	8.6
82.06577	2.2
83.04985	1.9
85.02895	6.6
85.06505	2.4
87.08672	2.0
89.03924	3.0
91.05473	7.8
93.07040	10.6
94.06551	3.1
95.04965	4.1
95.08603	5.0
96.08128	8.1
97.02898	4.3
97.06510	5.0
97.10161	2.8
103.05486	2.0
105.07028	4.6
106.06564	2.4
107.04919	4.5
107.08592	3.9
108.08100	8.9
109.02874	3.0
109.06511	3.5
110.06002	2.6
110.09682	9.9
111.04453	2.3
116.04964	5.6
117.07005	2.6
119.08562	5.3
120.04480	2.3
120.08141	9.3
121.06529	2.2
121.10139	5.5
122.06010	5.7
123.04338	3.1
123.08065	2.2
123.11734	3.2
124.07598	5.4
127.03913	3.2
131.08556	2.3
135.04446	4.1
136.07576	11.0
137.05980	6.3
137.19319	1.7
138.05492	5.8
138.09129	14.5
143.08650	2.2
144.04425	9.6
145.10184	2.3
146.06032	4.4
147.04364	2.9
147.86557	1.7
148.07564	4.3
149.05937	1.7
149.09610	4.5
150.05429	2.5
152.07045	3.0
154.04976	2.3
160.07610	2.4
161.05936	1.9
162.05521	5.6
163.03879	19.9
163.07501	2.7
163.11177	2.0
164.07007	3.7
166.08617	12.6
167.07005	7.0
167.08365	2.2
172.03925	31.2
175.08708	2.5
176.07104	2.5
181.04990	4.5
186.09114	7.0
187.08743	2.3
190.05045	8.5
196.07712	2.1
202.10957	4.1
203.07033	2.7
203.11800	5.6
204.06563	50.6
212.94748	2.2
213.10104	4.7
214.08693	11.4
215.08182	6.2
218.08296	2.6
225.10068	2.8
226.07159	2.1
227.11694	3.4
228.10245	2.9
231.11249	7.4
235.08771	2.3
237.10286	3.4
239.11815	2.2
241.09743	6.2
249.10248	5.1
251.11740	4.0
253.09750	3.0
255.11267	7.8
256.09790	3.5
259.10770	87.3
265.09711	5.1
267.11249	3.2
269.12854	2.1
273.12320	8.9
279.11218	3.8
283.10803	7.9
285.12265	5.4
287.10138	3.4
295.10660	3.3
297.12271	3.8
299.10181	2.9
301.11813	89.8
303.13358	2.0
311.10086	2.7
313.11813	4.3
319.12878	100.0
320.85544	2.2
323.10269	2.8
325.11703	8.9
327.09802	3.0
333.14447	4.1
337.14111	13.4
341.11325	2.7
343.12833	6.1
353.11505	2.5
354.12491	2.3
355.12881	2.7
357.14514	7.1
371.12283	2.7
373.14005	3.6
384.13217	2.4
400.17047	3.3
410.93008	2.3
415.77457	2.7
416.16351	2.1
441.82147	2.0
446.16794	2.1
472.15125	3.0
474.16586	5.3
478.15637	2.6
490.15634	2.4
492.17499	5.4
504.17831	3.7
524.20221	3.9
528.19617	2.6
536.19775	3.7
597.23102	2.1
611.21069	7.8
613.23523	3.3
615.74146	2.4
625.22852	8.4
643.23834	34.2
644.23523	2.5
649.47839	2.0
657.25446	5.9
661.24536	3.3
675.25922	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	1.9
55.02109	0.6
55.05509	10.1
65.03924	0.8
67.05457	2.6
69.03391	1.4
69.07034	1.5
69.72086	3.4
69.72498	1.5
70.06541	2.2
73.34245	0.6
77.00317	0.7
79.05437	2.6
81.07034	1.5
82.06533	2.0
82.45795	0.6
82.71707	0.6
83.04962	1.6
83.08623	6.6
84.08104	1.5
85.06511	1.1
89.03896	0.8
91.05467	1.5
93.05761	0.8
93.07018	1.9
94.06520	1.6
95.04925	1.8
95.60201	0.7
96.08131	9.6
97.02871	1.1
97.06533	6.0
98.05978	0.8
98.09653	1.8
99.04413	1.0
100.03947	1.6
100.07635	4.9
100.11252	30.3
102.05529	0.9
108.08113	24.0
109.02880	0.9
110.06048	3.2
110.09637	2.0
111.04421	6.4
112.07555	1.9
114.09161	4.1
116.04930	1.6
117.06995	0.8
117.13895	1.1
120.08043	2.1
122.06014	3.8
124.07565	4.2
126.05491	0.8
127.08643	1.2
128.07076	7.5
131.07268	1.2
134.05936	0.9
134.08836	0.9
134.09654	10.0
136.07573	24.3
138.05455	1.7
138.09074	1.9
139.08607	1.7
140.07043	3.0
144.04402	3.4
144.08084	1.0
146.05995	1.9
146.09599	2.3
147.04446	0.8
147.06798	3.2
148.07529	3.6
150.05450	1.9
152.07057	3.2
154.04987	0.9
158.09595	1.0
160.07526	2.3
160.09914	0.9
162.05463	2.8
162.09109	6.4
163.03839	0.8
164.07057	3.3
166.08606	1.6
166.15846	0.7
167.07016	3.3
168.13783	1.0
168.35596	0.7
172.02542	1.2
172.03929	17.7
172.07503	1.1
174.09122	4.9
174.12714	0.9
175.08702	1.2
180.13791	1.4
182.15408	15.9
186.09119	6.0
187.08583	1.4
188.09358	1.5
190.04947	2.5
190.08623	15.8
192.10248	1.0
196.13252	0.9
198.09198	1.6
199.08607	2.0
200.07091	0.8
200.10759	1.5
201.10136	1.3
202.08707	3.2
202.10992	2.9
203.11765	5.3
204.06555	25.0
205.13362	2.8
206.11732	1.7
209.16492	10.5
210.14894	22.5
211.08632	2.0
212.09195	1.2
213.10214	4.8
214.08653	10.5
214.10745	1.6
215.08128	4.9
217.09660	0.9
218.08105	11.1
219.11278	4.7
220.09636	2.1
223.08540	0.9
223.14432	1.8
224.12796	2.3
225.10269	2.6
226.07175	1.2
226.11086	1.1
226.19151	2.4
227.08105	5.8
227.11713	2.3
227.17480	2.5
228.10284	3.7
228.15985	2.2
229.09735	2.2
231.11284	6.3
237.10199	1.2
239.07996	1.5
239.11746	2.8
240.08873	1.5
241.09677	6.4
242.08073	1.9
242.10475	2.3
243.11153	0.8
247.10745	1.3
252.08566	0.7
253.06183	0.7
253.09766	3.1
254.10469	1.3
255.11256	9.3
256.09714	3.7
257.09369	1.3
257.12820	2.0
259.10767	76.2
260.11038	2.0
265.09671	1.6
267.07434	1.0
267.11371	3.9
268.08432	0.9
268.12128	1.8
269.09161	1.8
269.12796	2.1
271.10736	1.0
273.12360	6.2
279.11386	1.3
281.09155	2.3
282.10025	0.7
283.10812	6.9
284.11243	1.0
285.12039	3.4
287.10370	0.7
287.13931	0.9
291.13437	1.8
295.07739	1.1
295.10492	3.8
296.11398	1.3
297.12292	5.7
299.10178	2.3
299.13483	0.9
300.10861	1.3
301.11823	59.2
302.12195	1.7
309.12369	0.8
311.10144	1.8
313.11829	10.6
314.12521	1.6
315.13513	0.9
317.11456	0.9
319.12869	100.0
320.13251	2.9
323.10187	2.8
324.11011	2.2
325.11810	5.8
326.27991	1.6
329.11234	2.5
336.22760	2.4
337.13937	18.7
337.21072	1.5
340.25928	0.8
341.11307	7.1
341.72519	1.0
342.11899	8.2
343.12833	3.4
350.22675	1.0
350.73364	0.9
351.09665	0.9
352.12753	0.9
354.23846	1.1
355.13159	1.0
357.10596	0.8
357.14560	2.4
359.23337	4.7
359.73349	4.8
360.13431	0.8
360.23352	1.3
361.13895	1.4
368.12497	0.8
369.10681	1.6
370.13837	2.5
373.13989	3.4
381.14645	3.1
383.16162	1.2
397.14020	2.7
399.15558	1.1
402.16574	0.9
406.13684	1.1
407.12711	0.8
409.13953	1.4
412.14966	0.9
425.13437	6.1
427.15042	4.6
434.17072	1.2
436.31851	1.4
442.16110	1.5
444.17542	1.9
449.31400	0.8
452.18475	1.5
453.34366	1.6
454.20004	1.0
457.16159	3.0
459.17581	2.2
462.16580	1.0
479.17407	0.9
480.17560	7.2
481.17020	0.8
492.17841	1.9
498.18777	1.6
512.20154	1.6
563.37433	1.0
570.21637	0.9
580.40741	11.6
589.26617	2.3
599.25171	1.5
600.23486	1.3
615.24750	4.2
617.25818	6.3
619.24005	1.9
625.23114	1.0
633.25519	8.0
643.23755	8.7
644.22687	2.9
647.27026	1.8
657.25726	1.9
657.47144	2.2
661.24976	24.6
662.25348	1.8
665.27997	2.0
675.27051	7.8
675.47961	27.4
693.27722	4.0
693.49048	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.6
69.30383	1.4
69.30797	3.4
70.06561	0.9
79.05478	0.6
81.03404	0.5
85.02882	0.5
94.06542	1.2
96.08089	1.6
97.06499	1.0
98.21475	0.7
107.96007	0.4
108.08074	1.5
110.06020	1.2
110.09647	1.3
116.05006	1.1
120.08073	1.7
122.06042	3.3
124.07560	2.1
127.03973	0.5
134.06020	0.5
136.07578	4.6
137.05994	0.6
138.05475	0.5
138.09079	2.1
140.07028	0.5
143.08542	0.6
144.04462	3.3
146.05952	0.8
148.07521	0.6
150.05516	2.2
151.22231	0.5
152.06989	2.3
158.09615	1.0
160.03815	0.6
160.07527	1.2
162.05484	1.5
162.09102	0.7
164.06995	1.5
166.08586	1.5
167.07236	0.4
170.09659	0.8
172.03926	15.7
173.10760	1.1
174.11462	0.5
175.08649	0.7
175.12277	1.0
178.04977	1.1
184.07539	0.6
186.09137	5.1
187.08659	1.7
188.09351	0.8
190.05016	2.8
196.07523	0.9
197.10585	0.6
198.09213	0.6
199.12325	0.5
200.10730	0.8
201.10155	0.9
202.10983	3.0
203.11758	5.8
204.06551	21.8
204.08488	1.1
210.09082	0.6
213.10231	2.4
214.08606	8.6
214.10541	0.3
215.08159	4.1
216.08807	0.8
217.09760	0.8
225.10310	0.7
227.11801	1.8
228.10132	4.2
229.09694	1.9
230.10489	1.5
231.11313	5.4
241.09665	3.9
241.13316	1.0
242.08160	2.3
245.09114	0.6
245.12889	1.3
247.10805	1.5
255.11275	5.6
256.09644	3.2
257.09222	1.3
257.12900	1.6
259.10764	73.1
260.11072	1.7
267.11298	0.7
269.12851	1.2
271.10721	0.8
273.12338	5.8
279.11130	0.9
283.10678	2.5
285.12436	1.5
287.13947	1.3
297.12201	1.2
301.11804	56.4
302.12180	1.8
303.13330	0.9
307.10596	0.5
315.13351	1.1
319.12866	100.0
320.13202	3.2
325.11865	3.5
329.11765	0.6
333.14697	0.6
335.12454	1.0
337.13916	18.8
338.14294	0.7
341.11319	0.8
343.12927	1.2
357.10550	0.6
357.14377	1.9
373.13904	0.8
513.97974	0.6
536.20557	0.5
643.24066	1.1
675.26086	0.7
679.20911	0.5
685.19092	0.5
693.28357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05531	0.9
62.09268	1.0
62.32254	1.0
65.03928	1.7
67.05498	4.8
69.07063	2.5
70.06570	1.8
70.55630	3.6
79.05482	2.6
81.07098	1.6
85.02908	1.9
91.05482	2.5
93.05786	3.8
93.07065	1.3
94.06573	1.6
95.04951	2.7
96.08127	1.5
108.04500	1.2
108.08116	80.7
109.08445	1.4
110.06072	1.6
110.07186	1.3
120.08089	5.5
122.06036	2.1
122.09719	1.1
124.07584	2.7
134.06013	1.6
134.09639	3.1
136.07578	100.0
138.05504	8.4
138.09172	3.1
140.07037	3.6
148.07571	1.9
152.07069	3.0
154.08656	3.8
162.05502	2.5
162.09132	2.1
164.07054	13.8
166.08658	4.3
176.46529	1.0
186.09100	1.5
188.09419	1.8
190.08609	4.7
192.06732	2.2
204.06589	6.0
211.08792	2.9
212.09293	1.8
213.10326	1.7
218.08156	3.4
220.06035	2.1
222.07768	1.8
223.08545	2.1
224.09399	2.0
225.10237	5.0
227.08093	2.9
228.08873	1.4
229.09679	2.4
237.10210	10.0
239.08170	1.6
239.11833	4.3
241.09682	3.3
251.08182	4.5
252.08923	1.3
253.09804	5.3
255.07729	1.5
255.11317	2.9
257.12842	5.8
259.10828	1.2
265.09698	18.2
266.10434	2.3
267.11258	9.2
269.09195	3.4
271.10733	1.8
275.13870	5.0
279.07675	2.6
280.08420	2.8
281.09149	6.2
283.10803	5.8
284.11462	1.6
285.12329	2.2
287.10394	1.5
293.09177	18.1
294.09976	2.0
295.10757	17.5
296.11520	1.8
297.08704	1.9
299.10278	3.1
299.13715	1.4
301.11801	3.5
303.04984	2.7
303.13495	3.6
305.14951	1.5
311.10205	10.4
312.11102	2.3
313.11765	6.9
315.10114	1.4
321.08691	14.8
322.09381	2.8
325.08188	1.7
327.10056	1.4
329.11279	2.5
339.09753	70.5
340.10254	1.9
341.11380	4.5
341.35352	1.3
342.12247	1.2
343.12952	5.4
344.13669	2.1
349.87943	1.3
353.11179	1.5
355.12924	1.4
357.10739	4.2
359.12497	2.6
360.13388	1.4
361.14023	2.2
363.13431	1.3
371.12399	13.7
372.13129	3.8
373.13983	2.8
375.11838	1.7
389.13412	20.2
402.14813	1.3
404.16220	2.0
406.17258	1.7
407.12384	4.9
418.14261	1.6
424.18304	1.6
432.15570	2.2
434.17172	3.5
436.19016	3.0
448.15186	1.3
450.16245	1.4
452.18274	2.8
460.14960	3.9
461.15549	3.2
462.16565	4.1
474.16800	1.5
478.16016	11.6
479.16821	5.0
480.17645	13.2
481.17917	2.1
483.19888	3.1
510.18658	3.1
511.19434	15.2
512.20148	7.0
524.20569	1.6
528.19434	2.0
529.20148	1.5
530.21478	6.9
581.23602	2.2
597.23535	5.6
599.24854	7.1
615.24255	7.2
625.22913	15.7
626.21710	2.9
629.25049	1.7
633.25568	2.5
643.23932	31.6
644.23969	1.4
647.27246	12.2
661.25183	1.8
673.57654	1.2
675.26514	17.6
693.27222	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.1
53.03927	3.6
55.05510	22.0
57.03158	1.0
57.03436	20.1
57.07073	1.1
59.04989	1.1
60.04501	1.4
61.02927	5.4
65.03928	1.6
67.05500	33.1
69.03427	7.3
69.07066	9.3
69.36901	4.3
69.37339	4.5
71.04981	7.7
73.02922	2.6
79.05489	37.2
81.03413	91.3
81.07048	36.8
83.04974	23.3
83.08614	33.1
85.02901	39.9
85.06540	2.2
91.03936	1.7
91.05475	50.5
91.29780	1.0
93.07035	24.9
95.04958	41.2
95.08600	13.9
97.02883	8.7
97.06515	3.8
97.10170	5.1
99.04433	1.2
99.08083	2.2
103.05497	1.1
105.07021	34.1
107.04948	10.6
107.08600	10.2
109.02873	1.1
109.06514	7.8
109.10146	5.1
111.04446	3.1
111.08080	14.0
113.06001	4.0
115.05449	2.2
116.10771	1.2
117.07011	3.0
119.04944	1.1
119.08572	25.3
121.06506	2.9
121.10146	11.8
123.08044	4.2
123.11692	2.4
125.09631	1.9
127.04003	0.9
127.07556	1.2
129.06985	16.1
131.08563	16.6
133.06430	4.8
133.10121	16.5
135.08025	1.0
137.09584	3.2
139.56784	0.9
142.07753	3.5
143.08540	1.0
145.10110	2.6
147.04387	1.1
147.08047	6.7
147.11671	21.2
147.96252	0.9
149.05969	2.2
149.09607	8.5
151.11140	1.0
157.10121	21.9
163.11179	1.5
165.12772	4.6
175.11182	18.1
184.10075	0.9
193.10399	2.0
193.12230	67.0
211.13278	100.0
211.36537	1.1
249.14999	1.6
267.15906	40.3
270.79587	1.0
279.84631	1.0
285.16949	80.2
286.17316	0.9
296.55502	1.2
344.00125	1.1
349.21603	1.0
367.22568	2.3
385.23679	3.7
403.24759	1.2
441.26184	1.4
444.32986	4.9
459.27435	19.1
477.28424	22.2
495.29504	58.7
692.37933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.1
56.96297	1.8
56.96564	31.8
67.05496	3.2
69.03412	1.7
69.07055	2.2
71.03033	2.9
71.95247	1.5
79.05494	2.7
81.03400	1.6
81.07072	4.4
85.02910	1.2
86.06066	1.7
86.09682	1.2
91.05443	1.6
93.07035	3.6
95.04964	1.4
95.08617	2.2
97.06532	1.9
105.07036	3.6
107.04938	1.5
107.08607	2.4
109.02879	1.2
109.06522	1.5
109.10146	2.2
115.00700	1.2
116.10746	1.8
116.98607	1.6
117.07057	1.2
119.08546	1.9
127.03980	1.9
128.98611	2.4
133.01720	2.0
133.10136	2.0
141.02313	1.6
146.99669	2.2
149.05965	1.2
155.03822	1.5
159.03207	1.3
159.11588	1.3
163.03885	2.0
165.00781	1.7
169.05252	1.3
171.03346	4.6
173.04778	1.1
183.07008	1.3
185.04883	3.3
187.06331	1.4
189.04312	8.6
197.04897	3.0
199.06403	10.6
201.04369	3.3
203.05908	4.5
207.05394	1.7
209.05011	1.6
211.03047	1.2
211.06503	1.5
213.07976	5.3
215.05841	3.1
217.05396	1.6
217.07483	21.0
223.06400	4.5
227.05873	5.3
229.07513	7.9
231.09019	12.5
235.06508	2.4
237.08044	1.5
241.07446	22.3
243.09006	1.5
245.07005	3.5
247.08490	3.7
249.04443	1.3
249.07848	1.9
253.07382	7.4
255.09036	7.8
259.08542	39.5
261.09863	2.3
264.09167	2.6
267.09094	3.0
269.10526	2.7
271.08487	4.9
273.10077	3.2
277.09698	7.2
278.08176	1.6
282.10181	3.6
295.12027	1.3
296.09293	1.2
297.09915	1.4
321.17401	1.8
323.10944	1.4
329.14362	9.7
347.15326	49.3
365.16339	100.0
366.16788	3.0
367.17944	1.5
370.16809	2.6
383.17410	80.3
384.17932	1.6
388.17883	6.3
401.18417	4.6
406.18893	15.7
447.24307	1.2
470.46805	1.4
576.83209	1.2
593.29718	1.4
630.42682	1.3
673.36041	2.1
691.26501	1.8
691.37341	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	16.9
55.01864	17.4
55.05509	28.8
57.03431	24.7
61.02923	54.9
65.03919	6.5
65.92686	4.8
67.05164	9.6
67.05505	86.3
68.95683	6.0
69.03431	52.8
69.07063	40.8
70.17200	5.0
71.04972	12.2
71.58179	8.0
72.04556	5.3
73.02923	26.5
79.05498	65.5
81.03421	51.8
81.07051	100.0
83.04964	25.1
83.08601	23.5
85.02906	75.3
85.06520	6.9
91.03938	32.4
91.05473	52.4
93.07051	59.5
95.04967	27.7
95.08609	44.8
95.44004	5.4
96.08128	6.6
97.02360	8.6
97.02893	74.9
97.06538	29.4
97.10145	15.5
99.04447	17.4
101.02402	10.1
103.03936	6.9
105.07021	55.2
107.04957	16.3
107.08598	57.1
109.02876	26.3
109.06509	13.2
109.10176	44.5
111.04430	6.3
111.08060	10.7
115.05458	5.7
116.10754	9.9
117.07011	10.4
119.08565	39.2
121.06466	8.0
121.10139	28.2
121.96982	5.2
123.04448	6.4
123.08047	7.2
123.11702	19.8
125.09637	16.1
127.03903	35.8
129.05461	8.9
129.07018	9.2
130.31432	5.4
131.08606	33.9
133.10133	37.5
135.08040	15.5
135.11690	17.3
136.07500	5.3
137.09596	5.8
143.08623	17.8
145.04944	11.0
145.10118	30.2
147.11694	27.6
149.09628	13.5
149.13274	16.2
151.11156	13.8
157.10097	17.5
159.07951	5.5
159.11691	26.0
161.09610	13.7
163.03911	14.6
163.07587	12.6
163.11194	7.3
171.11737	8.5
173.11803	7.7
173.13232	9.1
175.11287	7.6
177.12749	13.5
189.11215	10.2
189.12820	5.8
193.12253	6.6
195.13840	8.4
212.16640	6.6
213.16621	7.4
227.12761	13.6
229.14325	7.5
245.13957	7.9
257.19028	12.3
269.17575	43.0
271.15448	10.2
275.20081	57.2
287.05472	8.9
293.21152	12.2
294.03033	7.1
329.25232	9.4
349.23749	76.3
367.24799	55.9
373.22653	5.4
400.13800	5.7
400.40289	6.0
413.21890	8.1
461.21365	5.7
511.29230	8.5
555.62433	5.9
691.14270	7.0
691.37616	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01859	14.5
55.05507	33.6
57.03426	27.2
61.02923	56.7
67.05501	76.6
67.06625	4.1
69.03421	44.7
69.07066	30.0
70.16274	8.3
70.16694	17.3
71.04993	9.4
73.02927	24.1
79.05484	74.5
81.03409	47.3
81.06583	7.2
81.07047	100.0
83.04971	18.5
83.08614	24.4
85.02898	88.1
85.06556	7.9
87.00814	7.9
87.04493	5.8
91.03959	31.6
91.05473	60.6
93.07037	72.3
95.04951	29.2
95.08588	41.0
97.02886	60.1
97.06517	30.4
97.10167	19.9
99.04480	10.3
99.08107	8.3
101.02359	7.4
103.03938	8.8
103.05425	6.6
105.07014	65.2
107.04940	20.0
107.08584	55.9
109.02853	22.1
109.06523	16.1
109.10174	36.1
111.04414	8.6
111.08066	6.4
115.03942	4.8
116.10748	8.4
117.07010	22.1
119.08557	45.4
121.06519	11.0
121.10120	29.2
123.08067	11.4
123.11679	8.8
125.05956	4.6
125.09614	22.0
127.03922	37.9
127.64995	5.0
129.07014	9.5
131.08582	25.9
133.06395	5.4
133.10112	39.4
135.08067	12.3
135.11687	15.7
137.09633	11.8
143.08551	6.2
145.04979	15.8
145.10110	33.2
147.08057	5.6
147.11647	23.2
149.05983	4.7
149.09615	18.5
149.13275	11.1
151.07495	6.1
151.11121	5.8
155.08606	5.5
157.10112	14.2
159.11644	25.1
161.05923	5.6
161.13223	7.7
163.03934	13.4
163.06078	7.7
163.07462	10.0
163.11237	13.6
164.06998	4.9
165.09081	6.5
169.10114	6.8
171.11678	9.7
173.09561	5.9
173.11777	5.5
173.13239	7.1
177.12692	9.8
179.14227	5.0
182.59682	5.2
183.11716	6.4
189.11223	15.7
189.12711	5.6
193.12190	6.0
195.13780	14.9
197.13303	5.4
221.13322	4.7
227.12769	16.8
229.14391	18.0
245.13815	10.2
253.18135	5.1
257.18939	14.8
269.17429	45.2
271.15372	8.2
275.20041	75.3
349.23694	94.4
350.24133	9.7
365.15881	6.1
367.24789	46.5
391.24963	7.8
413.21729	6.1
511.28571	4.8
718.54517	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
55.05500	1.1
56.96568	1.7
67.05510	1.9
69.81223	3.5
79.05497	1.2
79.51378	0.6
81.07045	2.4
85.02905	1.0
89.93872	0.5
91.05460	1.4
93.07042	1.5
95.08634	1.5
97.06581	0.9
98.21709	0.5
105.07022	1.6
109.10132	0.7
119.08577	0.7
121.10190	0.5
147.11722	0.8
149.02342	0.7
157.10246	0.5
199.06375	0.7
201.91324	0.5
217.07445	0.6
229.07559	1.9
229.14528	0.7
247.08560	1.8
274.27377	0.5
349.23758	1.6
363.14825	1.4
365.14417	0.7
381.15686	1.0
381.19962	1.0
383.15030	0.8
385.19171	0.7
400.15524	0.7
416.14966	0.7
421.18097	0.7
427.18317	1.3
428.14978	1.3
429.15485	1.2
430.16406	2.9
431.17422	1.0
442.16641	0.9
443.17001	2.8
444.18161	1.7
455.17676	0.8
456.14212	1.0
457.18988	3.2
458.19516	2.1
459.20422	2.0
467.17581	0.7
469.18982	0.8
470.12289	1.9
483.13080	2.2
484.13400	5.7
485.13324	0.7
485.18134	1.9
486.18958	0.7
494.28357	0.7
495.16522	1.2
497.14630	2.4
497.19232	0.9
498.14658	2.9
499.16104	3.4
510.18655	0.9
511.16418	2.4
512.16815	4.9
513.17657	10.4
514.18671	4.0
523.16113	3.7
525.17389	2.9
526.17694	0.7
527.19189	3.2
539.18707	0.6
544.19537	0.8
545.23956	1.9
553.17535	0.6
555.19708	1.7
569.20032	1.0
571.18414	0.9
572.21851	0.6
573.22919	1.8
599.21216	1.3
600.21997	4.0
601.22900	8.5
602.20844	1.3
614.23895	0.8
617.22260	1.5
632.24445	0.8
659.23602	0.8
660.23962	1.1
673.25226	0.9
676.23425	1.0
691.26080	100.0
692.26312	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
53.49920	2.5
54.82467	2.6
55.01865	4.8
55.05510	25.1
57.03438	14.7
57.07071	4.3
65.03942	4.3
67.05499	72.7
69.03424	33.3
69.07062	19.8
71.04982	11.0
71.58852	5.1
79.05489	72.0
81.03416	100.0
81.07053	77.1
83.04972	21.1
83.08611	18.8
85.02904	16.2
85.06545	4.0
89.87563	2.1
91.05470	58.3
93.07037	65.3
95.04966	33.5
95.08604	38.9
97.02886	20.2
97.06513	6.2
97.10144	3.7
99.04443	8.6
105.00452	2.5
105.07023	52.5
105.07687	4.5
107.04951	8.7
107.08585	29.7
109.02876	16.2
109.06511	4.0
109.10143	22.2
109.70660	2.4
111.04431	11.5
111.08067	8.5
115.05416	4.1
117.07029	17.1
119.08578	31.0
121.06489	6.8
121.10123	34.2
122.75748	2.6
123.04406	3.6
123.08099	3.3
123.11716	6.0
127.03926	13.0
128.06219	4.6
129.05460	3.7
129.07024	16.7
131.07578	4.5
131.08548	29.9
133.06503	4.9
133.10132	22.0
135.08073	5.4
135.11685	14.8
137.09608	3.5
141.06929	2.9
143.08569	9.1
145.10100	17.5
147.08092	4.9
147.11679	26.6
149.05991	3.3
149.09599	4.8
149.13264	8.6
155.08559	5.0
157.10109	14.4
159.08101	3.6
159.11717	9.7
161.09648	3.5
161.13226	3.5
163.11186	7.1
165.12737	5.5
169.10114	6.0
171.11676	6.5
173.04436	4.7
173.05846	2.6
173.09566	4.7
173.13260	9.3
175.11217	9.7
181.12164	2.7
183.11641	4.3
189.11247	2.9
191.10663	7.0
193.10579	1.8
193.12216	48.9
197.13182	3.0
199.14745	3.1
211.13251	53.8
211.15230	2.7
227.12772	5.1
259.20618	3.0
261.22186	6.4
267.15979	12.1
283.15509	3.5
285.17075	8.6
289.07431	2.5
317.24841	3.3
323.23404	2.6
325.31680	2.4
335.25876	18.7
355.17355	7.9
369.24124	7.0
387.25278	4.5
411.20221	3.6
473.35144	3.0
527.37030	14.2
545.38263	11.4
653.40070	5.4
671.39514	4.3
679.90265	3.5
689.42548	62.6
690.42133	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.6
55.01863	6.9
55.05517	34.4
57.03429	13.1
57.07055	4.3
65.03951	4.1
67.05505	78.7
69.03429	32.3
69.07071	19.6
69.31379	16.9
69.31815	19.7
71.04987	13.4
72.00742	3.3
79.05488	66.7
81.03415	100.0
81.07059	82.4
83.04971	18.4
83.08618	21.8
85.02929	15.8
85.06562	5.5
88.56027	3.3
91.05479	64.9
93.07043	66.7
95.04959	33.8
95.08601	41.7
97.02897	22.4
97.06525	6.8
97.10179	5.6
98.20792	5.8
99.04458	5.2
99.08072	4.3
105.07024	44.3
107.04964	9.9
107.08589	33.3
109.02857	18.3
109.06502	5.9
109.10159	17.2
111.04427	9.5
111.08057	11.6
113.39810	3.9
117.07015	14.0
119.08582	39.5
121.06500	4.2
121.10143	34.5
123.11749	4.3
125.09673	6.2
127.03930	7.4
128.06221	4.7
129.05452	3.2
129.06999	11.8
131.04898	3.6
131.08574	32.2
133.06454	7.7
133.10112	20.7
135.08029	7.0
135.11694	16.3
137.09587	3.6
141.06914	3.8
143.08582	7.2
145.06480	4.8
145.10109	17.8
147.07941	3.9
147.11670	21.6
149.09625	4.5
155.08543	5.2
157.10138	11.8
159.11710	12.6
161.13274	4.3
163.11198	8.1
165.12779	7.2
167.08604	3.7
171.11731	7.2
173.04518	5.0
173.13121	4.3
175.11218	11.0
175.14842	4.6
181.12262	4.2
183.11679	4.8
185.13345	4.4
187.14853	3.3
193.12253	37.0
195.11693	3.9
197.13310	3.5
209.13380	6.0
211.13264	48.7
238.02881	4.5
261.22223	5.9
267.15970	8.8
285.16940	6.7
301.21561	4.9
335.25931	13.4
337.16547	3.4
355.17599	7.8
355.70996	3.5
369.24139	7.8
411.20050	4.0
423.94159	3.7
451.01895	3.3
527.37030	11.6
534.51459	3.2
545.38159	8.6
633.11218	3.5
653.39929	5.7
657.38513	3.4
671.40118	3.8
689.42487	46.8
690.29504	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57922	3.5
51.63628	2.9
53.03935	11.8
55.01872	7.7
55.05508	30.9
57.03423	12.7
57.06133	3.0
57.07073	4.1
65.03936	7.9
66.89581	3.3
67.05502	74.6
68.24334	3.4
69.03430	36.6
69.07062	22.3
71.04997	11.5
71.58577	4.2
71.58967	4.9
79.05493	76.6
81.03413	100.0
81.07053	74.8
83.04985	23.0
83.08627	25.6
85.02903	20.2
87.04461	35.0
91.05482	59.4
93.07037	62.8
95.04974	42.4
95.08597	41.5
97.02895	18.1
97.06527	9.1
97.10138	7.2
99.04471	5.7
105.07021	51.0
107.04954	11.1
107.08586	33.9
109.02885	17.5
109.06535	8.8
109.10141	19.9
111.04445	8.3
111.08112	11.0
115.05390	3.9
117.06995	22.7
119.08580	42.1
121.06511	8.0
121.10123	28.3
123.04445	4.2
123.11691	7.6
127.03917	11.2
129.07019	15.3
131.08568	27.8
133.06520	6.0
133.10126	25.0
135.08076	5.4
135.11719	13.7
137.09694	4.2
141.07031	4.5
142.07800	3.9
143.08577	9.1
145.06476	5.7
145.10136	18.3
147.08060	6.2
147.11674	30.8
149.09633	4.7
149.13295	9.8
155.08551	5.1
157.10065	17.7
159.08058	5.1
159.11726	13.2
161.13269	5.7
163.11221	6.7
165.12794	9.3
169.10168	4.7
171.11671	6.8
173.09691	3.7
173.13248	7.7
175.11214	10.4
175.14769	4.2
181.10129	4.3
181.12276	8.9
185.13185	6.9
187.11185	4.5
191.10686	5.1
193.12244	37.8
195.11626	3.6
211.13274	62.5
227.12793	4.8
230.77397	3.6
241.19287	3.5
249.15215	4.1
261.22150	5.8
267.15933	10.6
277.21747	4.7
285.17032	8.5
301.21548	4.3
335.25861	14.0
351.23145	6.7
355.17667	6.3
369.24231	12.5
387.25256	7.0
411.09567	3.8
527.37366	13.5
545.38049	9.6
547.77429	3.6
600.57941	4.2
653.39661	4.6
671.40350	6.4
689.42371	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
62.82404	0.9
64.80349	0.9
67.05502	4.4
69.03435	1.3
69.07058	1.2
71.19508	2.1
76.11440	1.1
79.05486	2.9
79.38861	1.0
81.03401	2.4
81.07043	4.8
91.05469	3.2
93.07026	4.6
95.04955	1.1
95.08602	1.8
105.07026	2.7
105.33915	1.0
107.08598	1.7
119.08574	1.4
121.06395	1.0
121.10108	1.5
131.08601	1.1
133.10173	1.5
185.16515	1.0
213.85535	1.2
279.99435	1.1
315.73703	1.0
339.56192	1.2
384.12350	2.9
385.13248	6.5
386.14087	2.9
397.13263	2.5
398.13873	7.8
399.14563	14.1
400.15488	19.5
401.15726	1.3
404.15967	1.3
411.14502	3.1
412.15405	9.8
413.16083	17.7
414.16904	12.1
416.14526	1.8
418.17767	3.1
425.16110	1.2
426.17297	1.9
427.18335	12.8
428.18689	15.8
429.19324	12.3
435.14081	1.3
441.14734	6.5
442.16360	12.1
444.13922	1.8
446.17081	2.0
455.17151	41.3
456.17697	13.4
457.14801	2.1
458.15784	3.6
459.16663	5.6
469.15085	4.4
473.18491	1.3
481.15018	3.0
482.15103	1.3
483.16684	31.5
484.16788	4.6
487.15750	2.9
488.16730	2.7
495.16556	1.3
499.16092	7.5
500.16302	2.2
501.17172	1.7
509.18634	1.2
511.19516	4.0
512.13599	1.3
516.20020	1.4
523.15955	2.8
527.15558	23.7
528.15747	10.2
537.17914	1.9
539.19336	10.2
543.22461	21.1
544.22852	1.2
571.21899	100.0
572.22363	6.1
574.24396	9.2
575.24146	1.2
587.21069	1.3
601.22797	9.4
602.23730	44.0
603.23676	2.8
615.20496	3.2
617.25610	3.2
629.22455	34.8
630.22882	31.0
631.22736	2.3
657.21924	58.2
658.21881	4.0
661.25226	5.1
689.24493	16.1
689.41711	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	14.6
57.03436	11.0
57.07049	4.7
61.02905	5.5
67.05500	100.0
69.03386	4.7
69.07073	6.9
69.97130	7.7
69.97543	16.5
79.05496	17.4
81.07061	31.4
83.08604	6.3
91.05478	14.5
92.92466	3.9
93.07052	24.7
95.08601	24.3
105.07030	10.3
107.08601	14.1
109.10149	74.6
119.08561	9.9
121.10149	10.8
131.08507	9.1
135.11703	12.7
156.64880	4.9
161.13245	6.5
173.11732	15.6
183.11858	4.9
229.14352	96.3
261.22171	14.3
317.24686	5.1
335.25723	54.4
489.35739	33.3
529.93903	4.9
630.46014	4.1
672.81079	4.6
706.54883	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77874	0.8
69.03423	0.8
70.15862	0.6
70.98978	0.7
71.05040	0.6
75.96430	0.6
77.78294	0.6
78.01369	0.6
81.03365	0.7
85.02911	1.1
86.09669	0.7
87.02676	0.8
95.04990	0.7
95.08586	0.9
100.74896	0.6
127.03851	0.7
137.05954	0.7
137.09683	0.6
145.10077	0.8
167.06985	1.2
185.04227	0.7
227.05225	1.4
271.04153	4.8
325.61844	0.6
425.12042	1.3
440.14474	2.5
441.15250	8.7
466.75650	0.7
585.18518	0.8
597.85272	0.9
603.20282	6.7
645.21472	39.4
689.20465	100.0
690.20801	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82776	0.5
60.38359	0.6
67.05501	1.4
79.05520	0.9
80.36475	0.6
81.03411	0.8
81.07058	0.8
91.05440	0.6
92.50951	0.5
93.07028	0.8
95.04910	0.6
95.08633	0.6
98.20793	1.2
105.06999	0.6
107.08599	0.6
133.08479	0.5
203.05289	1.8
229.24139	0.7
242.75970	0.5
259.08026	1.2
269.23483	0.6
287.18570	0.7
347.09546	1.0
365.10529	3.4
421.13193	0.8
454.41254	0.6
523.28748	17.2
556.45703	0.6
685.34003	100.0
686.34235	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05514	14.7
57.03431	13.3
57.07068	2.5
59.04988	5.4
61.02909	3.5
65.03931	3.5
67.05503	100.0
69.03423	2.1
69.07073	7.3
69.42223	11.2
71.04994	3.4
73.02915	1.5
78.21758	1.4
79.05492	20.8
81.03406	1.7
81.07050	42.6
83.04961	1.4
83.08607	10.0
85.02898	4.1
91.05476	15.5
93.07036	25.0
95.04935	2.5
95.08598	22.8
97.02851	1.9
97.06531	1.3
97.10167	2.0
99.08075	1.6
105.07032	7.3
107.08592	18.1
109.10155	76.7
111.08031	1.7
117.07031	3.1
119.08571	8.4
121.10167	10.5
123.11711	3.2
125.09644	1.5
131.08568	5.1
133.10204	2.8
135.11693	6.4
137.09639	2.0
145.10164	3.3
147.11671	3.2
149.13226	5.1
155.10681	4.0
159.11679	3.0
161.13242	4.1
163.14865	1.7
173.11763	23.3
173.13182	3.0
187.14795	2.2
191.25414	1.6
196.28944	1.5
227.12769	5.5
229.14336	99.0
230.14699	1.7
243.21133	6.5
245.37163	1.6
261.22092	16.8
317.24640	3.1
335.25781	69.2
336.26205	2.2
338.01651	1.7
358.66061	1.6
437.01984	1.4
489.35742	33.0
507.36740	2.5
517.07019	1.7
686.81287	1.7
714.20892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	2.2
59.31558	2.4
69.03427	7.9
69.52992	19.6
70.37611	2.0
73.02912	2.4
79.05497	4.0
81.03417	17.9
81.07047	4.8
85.02900	17.6
87.00813	6.5
88.04043	2.5
91.05472	4.1
97.02872	9.0
98.20753	4.2
99.04443	3.8
100.11267	8.6
101.11579	2.8
101.69995	2.3
105.01874	5.8
107.04947	7.4
109.02855	7.8
115.05447	6.4
117.07018	8.3
123.04408	3.8
127.03914	17.1
129.01842	2.9
129.06996	3.4
131.08574	2.8
144.05681	2.8
145.04951	7.3
145.06465	33.0
155.06007	4.1
156.05673	5.4
159.02869	5.0
159.08052	6.0
161.05984	2.5
163.36563	2.5
167.07022	44.0
173.05975	48.1
182.90265	2.6
183.15753	3.0
184.05165	2.6
187.07494	4.8
190.06235	31.5
202.06252	4.4
203.07039	6.0
205.08586	100.0
210.16757	2.8
213.16013	2.4
217.08586	34.2
219.10194	5.4
223.09689	4.3
231.05037	3.8
235.09604	25.3
247.09671	6.9
248.08064	3.3
251.15269	2.3
252.16081	2.4
260.09909	2.6
265.10727	35.8
283.22675	2.3
315.08533	4.4
330.11108	11.7
331.11591	5.3
351.12228	6.0
371.15070	4.0
383.14822	16.6
401.16006	15.0
665.51257	3.5
683.52264	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01863	1.6
67.05488	2.7
68.99761	0.8
69.03417	3.7
69.07060	2.0
70.06572	2.3
71.57435	1.2
79.05476	2.3
81.03396	2.8
81.07062	2.3
83.04977	1.1
84.08118	0.9
85.02898	3.8
86.09722	1.1
91.05477	5.6
93.07043	8.1
94.06565	2.0
95.04960	4.0
95.08581	1.9
97.02880	2.6
97.06495	1.6
99.04430	1.1
105.07018	1.2
107.04990	1.3
107.08559	1.7
108.08096	1.8
109.02845	1.4
109.06461	1.1
109.10130	1.1
110.06001	1.3
111.08081	6.6
115.05457	1.3
117.07016	2.7
119.04935	0.9
119.08562	1.6
120.08115	1.6
121.06523	1.6
121.10099	1.7
122.06023	3.9
123.11721	1.0
124.07562	1.4
127.03887	2.1
132.08058	1.1
134.09631	4.7
135.08040	2.7
136.07576	9.7
137.06001	3.9
138.09111	1.5
140.07072	4.0
145.06451	4.9
146.06102	0.8
147.04404	1.2
148.07594	1.6
149.05957	1.2
150.09138	2.6
151.03888	0.8
152.10690	3.0
154.08638	7.0
156.05675	1.0
160.07547	1.6
162.09140	36.8
163.03964	1.3
163.07542	2.2
164.07088	1.7
167.06998	4.9
171.09160	2.5
172.07576	1.0
173.05978	4.6
173.10779	4.1
174.09160	1.3
178.08672	1.7
180.10191	30.6
190.06250	2.5
190.08571	5.3
198.09155	1.2
199.08632	3.0
201.10204	2.6
203.06999	2.2
204.07068	0.9
205.08636	6.4
208.09689	75.1
209.10011	2.2
213.10284	5.3
215.08176	4.3
215.11728	1.9
217.08444	3.7
218.07848	0.9
220.09668	2.7
225.10295	1.2
226.08734	1.3
227.08116	9.1
228.08897	1.3
235.09547	3.0
239.11864	1.2
241.09726	9.9
242.10420	1.1
243.11235	10.4
245.09302	3.3
246.07550	2.6
253.09630	1.7
259.10779	8.5
265.10049	2.7
267.11206	2.2
269.09293	9.2
269.12424	1.2
281.09097	2.5
285.08582	0.8
285.12115	1.5
286.09366	1.1
287.10251	76.7
293.09091	1.4
295.10721	2.6
311.10193	1.7
313.11734	2.3
319.13086	5.0
330.10843	1.4
337.11844	2.0
339.09650	1.3
341.11157	2.1
353.11380	5.4
355.13010	1.6
383.15268	1.2
401.16037	1.1
476.18198	2.8
494.19205	50.7
495.19421	1.1
512.20233	16.5
521.34650	0.9
526.21826	100.0
527.21967	3.6
615.23724	1.3
629.49274	1.0
633.24487	3.2
651.25897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12915	4.5
55.05499	14.7
56.05028	4.8
56.80224	4.9
57.03443	9.1
57.07074	8.7
61.02924	24.5
65.03898	4.3
67.05502	79.4
69.07063	27.1
71.57449	4.7
71.57933	6.6
73.02897	14.4
77.32178	4.4
79.05480	25.0
81.07050	89.5
83.04984	4.5
83.08611	13.5
85.02900	33.7
86.93926	4.7
91.03945	32.2
91.05472	21.6
93.07050	22.1
95.08598	80.9
97.02862	20.4
97.06510	6.0
97.10165	10.3
99.08089	6.7
105.07018	12.8
107.08569	22.1
109.10150	44.1
111.08073	7.7
119.08559	12.5
121.10141	18.9
123.08073	8.1
123.11680	22.3
124.79432	4.8
125.09677	5.5
127.03885	11.1
127.11178	7.8
133.10107	16.8
135.11649	15.8
137.13283	7.3
145.04958	15.4
147.11703	13.6
149.13260	15.9
151.14764	11.9
154.29871	5.0
159.11584	4.9
161.13286	10.5
163.06013	19.5
165.16396	10.3
175.14787	11.3
179.14470	5.6
231.21043	80.8
249.22134	100.0
323.25775	55.8
341.26688	6.4
703.05725	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12655	0.4
56.96571	2.4
65.03936	0.9
69.03430	1.2
69.07063	0.5
70.11921	0.4
71.57896	0.7
79.05512	0.7
81.03403	0.7
81.07066	1.0
85.02897	2.7
86.05183	0.4
91.04904	0.7
91.05476	13.5
91.22784	0.4
93.07028	0.5
95.04954	0.7
97.02915	1.1
105.03412	0.4
105.07087	0.4
107.04989	0.8
117.07008	0.5
119.04941	18.8
121.06488	1.2
123.04472	1.1
127.03937	0.5
137.05971	2.3
145.04942	0.9
145.06538	0.7
149.05978	100.0
150.06291	1.4
151.03922	0.4
151.07527	0.7
155.03857	0.5
163.03897	17.9
163.07535	2.2
164.04228	5.8
173.09636	0.7
175.07591	1.5
181.04950	11.7
181.08546	0.5
182.05283	5.5
192.04196	1.1
193.04520	0.6
203.05605	0.5
203.07088	5.5
204.07370	3.0
205.12234	87.1
206.12579	2.0
211.06369	0.6
217.07439	0.7
231.13788	1.5
243.09120	0.5
253.11223	1.3
254.11429	0.7
255.09077	1.0
271.12177	1.2
272.12341	0.5
273.10162	0.7
281.08127	3.0
282.08377	2.9
285.11301	5.7
299.09033	2.3
300.09274	2.3
317.10257	2.9
318.10431	2.5
328.14923	0.5
329.14001	0.7
341.17419	2.7
347.15164	1.5
348.15588	1.1
365.16403	3.6
366.16653	3.7
367.17462	0.9
383.17297	1.5
384.17517	1.5
385.19006	0.7
447.16254	1.2
497.32620	0.6
502.15488	0.6
546.24231	0.6
585.66559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01860	4.2
55.05495	14.8
67.05488	18.2
69.03425	14.5
69.07052	18.6
69.39068	42.7
70.06577	12.5
71.04990	4.9
79.05491	12.6
81.03423	10.2
81.07040	21.2
82.06580	5.2
83.04971	9.2
83.08617	12.5
85.02885	16.5
85.06528	7.6
86.09689	9.6
91.05473	29.8
93.07039	25.4
94.06567	7.4
95.04965	24.7
95.08585	19.4
97.02874	5.3
97.06537	8.5
100.07600	6.0
100.11243	55.1
101.11588	5.3
103.16586	4.4
105.07018	17.8
107.04938	7.0
107.08586	16.1
109.02851	5.9
109.06533	7.7
109.10165	10.5
110.06068	4.7
111.04412	6.3
111.08072	11.3
117.06967	6.9
118.40166	4.7
119.04944	7.5
119.08581	10.5
120.08087	4.3
121.06538	5.0
121.10126	11.1
122.06006	7.0
123.04424	76.5
123.11697	8.0
124.07556	12.8
127.03891	11.3
128.06134	5.3
128.07071	6.4
129.02020	4.8
131.04863	5.0
133.10123	8.4
134.09650	7.7
135.08008	5.3
135.11638	7.7
136.07578	9.9
137.05957	20.0
137.09618	5.0
140.03441	4.8
140.07011	11.1
145.10107	11.1
147.04366	10.3
147.11664	5.5
149.05965	5.4
161.06007	9.0
161.09590	5.8
162.09157	38.1
163.03882	16.3
163.07617	5.6
164.07034	4.7
167.03387	5.0
167.07010	5.9
168.06625	4.4
179.03401	10.5
180.10187	31.4
181.04948	4.7
182.15402	13.2
190.08694	7.7
201.05315	5.3
203.06998	6.6
204.06458	7.0
207.06465	7.8
208.09669	73.9
209.16490	12.5
210.14856	17.8
210.16724	6.6
211.15204	6.1
215.11893	5.9
227.17598	5.0
233.09850	5.1
241.09743	7.6
243.11266	18.6
257.12640	6.2
259.10751	21.8
265.09512	4.7
267.11160	7.5
273.12476	7.1
281.08142	13.1
285.12311	28.8
293.09103	6.9
299.09100	48.9
301.11740	16.9
302.12668	5.3
303.13501	23.5
311.10181	6.1
319.12820	16.2
329.11298	6.5
330.09384	6.2
343.12827	5.1
347.12256	6.0
404.12405	6.0
461.14264	9.0
474.18066	5.3
478.80627	4.6
519.16382	14.7
522.18292	5.9
587.25140	5.8
595.21368	10.9
613.22919	13.6
631.24017	100.0
645.25574	5.6
649.24384	8.6
663.26501	38.9
680.51337	22.7
681.36017	9.4
681.51788	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
67.05481	0.6
69.54778	4.1
72.75760	0.5
75.40105	0.6
79.05449	0.6
79.66244	0.5
87.00982	0.6
94.06571	4.0
95.04945	0.8
96.04541	0.6
97.06538	0.9
98.21506	0.7
100.07608	0.7
108.04462	0.6
110.05991	2.3
111.86597	0.6
116.04955	0.6
122.06030	9.7
123.04449	0.6
124.07549	1.3
136.07549	0.5
136.94600	0.6
140.07074	9.4
143.07323	0.6
144.04430	1.3
144.08095	0.6
146.06021	6.5
149.07132	0.7
149.25674	0.5
150.05473	2.0
152.07047	2.1
158.09605	1.2
160.07585	1.4
162.05460	1.0
162.09164	1.8
170.09679	1.0
172.03922	10.5
172.07556	0.7
173.04614	1.2
174.05518	2.9
175.08641	1.3
175.12321	0.8
180.10109	0.6
184.11220	0.7
185.08449	0.6
186.09157	5.2
187.08644	1.4
188.09410	1.2
191.05681	0.6
192.06528	0.6
200.07159	0.8
200.10696	1.6
201.10188	1.1
202.08801	0.8
202.10950	2.9
203.11794	5.3
204.06569	13.7
206.08124	5.8
208.09668	2.2
210.09108	0.9
213.10213	2.2
214.08617	9.9
215.08176	5.2
215.11873	0.6
216.08716	1.1
217.09708	1.3
227.08090	0.6
227.11806	1.5
228.10307	2.9
229.09723	2.7
230.10429	2.0
231.11288	6.9
241.09689	3.2
242.08224	2.6
243.11314	0.9
245.09196	1.9
247.10774	1.9
255.11252	5.3
256.09692	3.3
257.09146	0.9
257.12784	1.2
258.10004	0.8
259.10779	79.5
260.11212	1.2
267.11093	0.7
271.10831	1.7
273.12332	7.4
283.10849	2.9
283.13580	0.6
285.12277	0.9
287.10281	1.7
301.11826	64.1
302.12305	1.0
302.70920	0.5
303.13321	0.7
305.11084	0.5
313.11819	3.8
319.12881	100.0
320.13071	1.3
331.12979	1.3
335.12311	1.7
336.13660	0.7
337.13898	19.6
345.14368	3.8
474.18616	1.5
505.18213	1.5
508.17282	1.0
519.23932	1.0
523.18945	1.4
631.23987	1.4
663.26440	4.1
681.29156	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
61.10654	0.7
65.31187	0.6
67.05499	0.9
69.07087	1.5
69.25451	7.7
70.06597	1.4
81.03426	0.8
84.08120	0.7
94.06581	3.4
95.04965	1.1
97.06522	1.6
98.21436	1.8
108.08121	0.8
110.06042	1.7
112.07550	0.8
116.04985	1.4
120.96027	0.6
122.06030	10.9
124.07654	0.8
136.07585	1.2
137.05942	0.9
138.05507	1.3
140.07065	11.8
144.04456	2.4
146.06007	7.9
148.07578	0.9
150.05508	2.1
152.07114	2.1
153.01801	0.7
157.08917	0.9
158.09688	0.8
160.07611	1.4
162.05516	1.7
162.09146	1.2
163.03915	1.2
164.07132	0.9
170.09717	0.9
172.03928	11.8
172.07608	1.2
174.05515	4.6
180.10121	1.1
186.09131	4.1
187.08687	1.7
188.09378	1.1
190.05042	0.9
191.05661	0.8
191.11870	0.6
196.07539	0.8
198.09267	0.9
200.10712	1.7
201.10251	0.9
202.08752	1.1
202.11023	2.9
203.11789	6.5
204.06541	16.5
206.08148	5.6
208.09679	2.8
210.09151	0.9
213.10233	2.6
214.08630	11.5
215.08157	5.9
215.11807	0.8
217.09752	1.9
224.07120	0.8
227.11789	1.1
228.10252	4.2
229.09767	2.6
230.10469	1.8
231.11317	6.1
241.09698	3.7
242.08186	2.5
243.11368	1.4
245.09258	1.4
245.12943	1.4
247.10663	1.1
255.11269	6.3
256.09763	4.1
257.09238	0.9
257.12817	1.7
258.10092	1.1
259.10782	83.1
260.11102	0.8
271.06033	16.3
271.10519	1.8
273.12314	8.1
283.10773	4.0
285.12189	1.4
287.05499	2.0
287.10336	0.8
301.11826	63.3
313.11743	4.8
317.11542	1.2
319.12881	100.0
320.13089	1.3
331.12918	2.6
335.12320	2.4
337.13950	20.1
345.14471	6.0
347.16238	1.0
381.59024	0.7
401.23462	0.7
433.11411	3.2
474.19080	0.9
490.16150	0.8
508.17065	1.9
631.23566	2.2
645.25726	1.0
649.24860	0.9
663.26349	3.0
681.26917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01862	0.5
67.05487	1.0
69.07065	1.3
70.30423	0.6
70.30840	1.5
71.04981	0.5
79.05459	0.5
85.02879	1.9
91.05437	0.4
94.06554	2.1
95.44904	0.4
97.02873	0.6
97.06491	0.8
108.04459	0.8
109.02824	0.7
110.06022	1.5
122.06036	6.5
124.07527	0.8
127.03860	1.1
136.07552	0.8
138.05423	0.6
140.07057	7.4
144.04433	1.3
146.06004	4.6
149.07034	0.6
150.05463	1.3
152.07054	1.3
158.09619	0.8
159.02831	0.5
160.07547	0.9
160.09892	0.6
162.05525	0.8
168.10355	0.5
170.09674	0.8
172.03926	6.2
174.05476	2.2
174.09090	0.4
175.08736	0.7
175.12265	0.7
176.06984	0.5
186.09132	5.2
187.08659	1.2
188.06964	0.5
188.09332	0.5
191.05780	0.5
192.01337	0.5
196.07584	0.8
198.09196	0.8
200.10661	1.4
201.10243	0.8
202.10942	2.2
203.11794	5.7
204.06544	9.8
206.08110	3.9
208.09676	0.8
212.02956	0.4
213.10211	1.9
214.08630	9.6
215.08160	4.0
215.11507	0.5
216.08893	0.6
217.09717	1.0
227.08017	0.8
227.11769	0.9
228.10211	3.7
229.09666	1.6
230.10489	1.4
231.11301	5.5
241.09763	1.5
242.08133	2.1
245.09206	1.1
245.12935	0.6
247.10759	1.6
255.11296	3.8
256.09665	2.5
257.09229	0.8
257.12888	1.0
259.10773	69.5
260.11066	0.6
273.12286	5.6
283.10721	2.9
287.05490	8.8
287.10287	0.9
293.09164	0.5
301.11807	54.8
302.12064	0.9
313.11804	3.7
319.12866	100.0
320.13120	0.8
331.12814	1.0
335.12555	0.6
337.13904	20.9
345.14496	3.0
391.02911	0.5
474.18649	1.3
490.16089	0.5
681.28748	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39633	0.5
55.01868	0.5
55.05479	0.5
56.29893	0.5
59.86124	0.4
67.05491	0.6
69.07050	1.2
69.47083	1.4
69.47514	2.8
70.06565	0.8
71.04974	0.5
72.44543	0.5
83.85135	0.5
84.08137	0.7
85.02882	0.9
89.00950	0.5
91.05450	0.6
93.07041	0.8
94.06569	3.4
95.04962	0.5
97.06505	0.8
107.04902	0.4
108.04456	0.9
108.08089	0.9
110.06003	1.5
112.07556	0.6
120.08096	0.5
121.06505	0.4
122.06032	7.8
124.07556	0.8
136.07520	1.0
140.07031	6.7
144.04469	1.0
144.08031	0.6
146.06007	5.5
148.07521	0.7
149.07095	0.7
150.05511	1.2
152.07048	1.8
158.09598	0.9
160.07581	0.9
160.09901	0.7
162.05540	0.7
162.09085	1.1
164.07066	0.7
166.08688	0.6
170.09729	0.7
172.03941	8.6
172.07494	0.6
173.04382	0.5
174.05498	2.4
175.08669	0.8
178.04994	0.6
186.09134	4.1
187.08604	1.7
188.09390	1.3
189.10266	0.5
190.08401	0.5
192.06581	0.7
195.86812	0.6
196.07596	0.8
199.08478	0.6
200.07063	0.6
200.10699	1.4
201.10146	0.9
202.08920	0.6
202.10965	2.8
203.06978	1.1
203.11794	5.5
204.04727	0.7
204.06558	11.4
206.08102	5.2
208.09659	1.4
213.10213	1.9
214.06760	0.7
214.08656	10.2
214.10706	0.9
215.08188	4.8
215.11632	0.5
217.09732	0.9
227.08163	0.5
227.11719	1.5
228.10306	3.7
229.04874	0.5
229.09740	2.2
230.10431	1.8
231.11288	6.0
238.08640	0.6
240.08797	0.5
241.09740	2.2
242.08054	2.5
243.11099	0.6
245.09055	0.5
245.12682	0.7
247.10783	1.4
255.11252	5.0
256.09616	2.5
257.09088	0.6
257.12967	1.1
258.09796	0.6
259.10767	78.0
260.11264	1.1
260.47064	0.5
271.10718	0.9
273.12311	6.5
283.10822	3.1
284.09210	0.6
285.12329	1.1
287.05478	3.3
289.11774	0.8
301.11823	58.1
302.12177	1.6
313.11844	3.5
317.11493	0.6
319.12869	100.0
320.13199	2.7
331.12802	1.1
335.12329	2.1
337.13965	23.0
345.14587	3.4
347.16086	0.6
363.15738	0.9
474.18152	0.6
492.17590	0.8
567.02728	0.6
645.24945	0.8
663.25824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05495	0.4
55.06237	0.3
67.05491	0.8
69.03419	0.8
69.07057	0.6
70.06593	0.4
71.58256	0.5
79.05470	0.7
81.03403	0.4
81.07037	0.6
83.04956	0.3
83.08585	0.3
85.02905	1.3
91.05482	1.3
93.07023	0.8
95.01321	0.4
95.04955	0.4
95.08582	0.3
97.02877	0.8
100.11239	0.5
101.04217	0.3
103.03872	0.3
105.07018	0.9
105.72528	0.3
107.04935	0.6
107.08566	0.7
109.02852	0.6
109.06496	0.7
110.06070	0.7
115.47598	0.3
117.06978	0.4
118.41918	0.3
119.04920	0.4
119.08558	1.2
121.02835	0.3
122.05998	0.3
123.00803	0.3
127.03923	0.6
129.06990	1.3
131.08546	0.5
132.05682	0.4
133.01917	0.3
133.02835	0.6
133.06471	0.4
133.10083	0.4
135.04375	0.3
136.07582	0.3
137.05959	0.9
140.07010	0.6
141.07027	0.3
144.05702	0.4
145.06506	0.3
145.10097	0.3
147.04366	0.6
147.08028	2.7
149.02325	1.4
149.05966	0.3
151.03888	1.6
154.04977	0.6
157.06476	0.5
160.05151	0.4
161.02339	6.7
161.05959	3.0
161.09235	0.3
162.05525	0.4
163.03889	2.1
164.10774	0.3
167.03377	2.7
167.07054	0.6
175.03885	1.2
175.07565	1.9
182.15295	0.3
185.05956	4.0
203.07021	100.0
204.07378	1.1
205.08391	0.3
208.06018	0.3
208.09683	0.6
210.14954	0.3
213.10362	0.3
221.08041	2.3
234.79765	0.2
238.73242	0.3
244.80020	0.3
259.10657	0.5
267.06509	1.2
267.09473	0.4
301.11783	0.5
313.11493	0.3
319.12888	0.7
321.11176	1.7
335.12021	0.3
339.12241	18.1
340.12683	0.3
353.11157	0.6
357.13425	0.6
365.12192	0.6
385.14130	0.4
492.17188	0.4
501.17523	6.0
508.16815	0.6
510.18793	0.4
522.18481	0.5
524.20245	0.7
540.19873	0.9
631.24298	0.4
663.24396	0.3
680.50739	0.7
681.27301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.88862	0.2
55.01885	0.2
55.05497	0.4
55.76999	0.2
60.59949	0.2
61.97694	0.3
65.03937	0.3
67.05478	0.4
67.24682	0.2
69.03415	0.4
69.07050	0.6
69.42664	0.6
69.43068	1.7
70.06599	0.4
79.05487	0.5
81.03402	0.4
81.07059	0.8
83.04958	0.3
83.08598	0.3
85.02901	1.3
86.06053	0.4
91.05475	1.5
93.07041	0.7
94.06578	0.6
95.01287	0.6
95.04952	0.5
95.08619	0.3
97.02860	0.4
100.11261	1.4
101.11593	0.3
105.03426	0.2
105.07015	0.6
106.06522	0.2
107.04942	0.7
107.08604	0.4
108.04517	0.3
108.08149	0.2
109.02851	0.3
109.06519	0.8
109.10146	0.3
110.06004	0.4
111.04489	0.3
117.06995	0.4
119.08572	1.0
120.08118	0.3
121.02850	0.3
121.10127	0.3
122.06034	2.3
123.00786	0.5
123.04458	0.3
124.07629	0.3
127.03928	0.3
128.06226	0.3
129.06998	0.9
131.08580	0.4
132.05640	0.3
133.06450	0.5
135.04362	0.4
135.08115	0.3
136.07588	0.4
137.05959	0.3
138.05475	0.6
138.09128	0.3
140.07079	1.9
144.04518	0.3
144.05658	0.6
146.06024	0.8
147.04416	0.3
147.08049	2.8
149.02345	1.9
150.05539	0.4
151.03880	1.1
152.07059	0.2
154.04843	0.3
157.06450	0.6
160.07718	0.3
161.02350	7.6
161.05956	3.5
162.05493	0.3
162.09160	1.0
163.03932	1.7
167.03401	3.5
172.03979	1.2
174.05530	0.4
175.03880	1.0
175.07506	1.9
175.12216	0.3
179.03419	0.5
180.03789	0.3
180.10149	0.8
182.15411	0.6
185.05975	3.0
186.09192	0.8
188.04683	0.6
190.05026	0.3
202.10965	0.6
203.07027	100.0
204.06676	2.3
206.08160	0.8
208.09738	1.8
209.16425	0.5
210.14911	0.7
212.09291	0.3
213.05420	0.3
213.10191	0.5
214.08665	1.7
215.08163	0.9
215.11682	0.3
221.08086	6.1
225.10165	0.3
228.10197	0.6
229.09802	0.3
231.11308	1.0
241.09726	0.5
242.08090	0.3
243.11278	0.9
249.10292	0.8
251.11639	0.3
255.11339	1.1
256.09631	0.6
257.12869	0.4
259.10791	12.1
265.09576	0.6
267.06464	3.0
273.12292	0.8
279.11197	0.5
283.10803	1.0
285.12277	1.3
293.09097	0.4
301.11813	10.2
302.12433	0.3
303.10010	0.4
303.13330	0.9
311.10141	1.1
313.11823	0.8
319.12888	14.7
320.13193	0.3
321.11328	2.2
325.11612	0.4
331.12915	0.7
337.14005	2.9
339.12299	18.7
345.14383	0.5
357.13376	1.4
378.14337	0.3
383.12479	0.6
387.15689	0.4
407.70520	0.3
424.14862	0.3
432.15540	0.6
474.18314	0.8
490.16272	0.3
492.17502	1.7
501.17618	3.9
519.18329	0.4
524.20032	0.9
540.19501	0.6
613.22931	1.3
631.23676	2.2
634.49939	0.3
645.25006	0.4
649.24854	0.4
663.26483	0.6
680.51178	1.5
681.51257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1655
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03937	1.5
55.01860	1.2
55.05507	0.4
57.03429	1.7
61.02910	0.8
63.24869	0.3
68.99795	0.7
69.03427	3.9
69.07079	0.6
71.01363	0.3
71.04992	9.2
73.02904	1.2
75.04453	0.4
81.02979	0.5
81.03415	5.4
83.04978	0.9
85.02903	18.1
87.00824	3.0
91.03957	0.3
91.05464	0.5
94.06560	0.7
95.04969	0.5
97.02880	3.9
97.06519	0.4
99.04469	2.2
103.03986	0.3
105.01864	2.3
105.03412	0.3
107.04931	0.3
109.02875	5.4
110.06006	0.3
111.00819	0.5
111.04436	1.2
117.01849	0.9
121.02873	1.9
121.03671	0.3
122.06026	2.5
123.04446	0.3
124.07526	0.4
127.03905	5.8
129.01833	0.3
129.05463	1.9
133.02849	0.6
136.07571	0.4
137.02325	0.5
138.29982	0.3
140.07048	3.0
145.04971	2.4
146.06044	1.6
147.02870	0.4
147.04398	0.7
147.06573	0.2
149.07114	0.4
150.05478	0.6
152.07051	0.4
153.01805	2.6
158.09624	0.3
159.02905	2.2
162.09192	0.7
164.07030	0.3
165.01891	1.4
169.68971	0.3
172.03923	2.5
174.05504	0.9
178.18539	0.3
180.10214	0.3
181.04916	0.3
183.02867	0.5
186.09167	0.8
187.08507	0.3
196.07697	0.4
200.10741	0.4
202.10941	0.7
203.11823	1.7
204.06500	2.9
206.08122	1.3
208.09665	1.1
213.03758	0.4
213.05521	0.8
213.10179	0.7
214.08594	2.9
215.08220	1.5
217.09628	0.4
227.11807	0.4
228.10216	1.1
229.09804	0.5
230.10374	0.4
231.04982	1.1
231.11319	1.2
241.09782	0.6
242.08127	0.8
245.55972	0.3
247.10736	0.6
255.11235	1.8
256.09647	0.8
258.05231	0.7
259.10770	22.5
273.12256	1.7
283.10782	1.2
287.05481	100.0
288.05853	3.3
289.11649	0.3
299.05600	0.5
301.11816	17.4
311.05658	0.5
313.11807	1.3
319.12872	22.8
329.06454	1.8
335.12347	0.5
337.13937	4.8
344.75400	0.3
345.14386	1.1
353.06708	0.7
379.08072	0.3
397.09042	1.2
402.73706	0.3
433.11404	1.1
442.15555	0.4
474.18530	1.6
508.16840	0.3
512.29700	0.3
519.23901	1.3
524.20306	0.5
535.10724	0.4
681.29108	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.5
55.01865	3.5
55.05504	11.2
57.03429	7.3
61.02922	20.6
65.03934	3.9
65.66270	2.5
67.05502	52.5
69.07072	8.0
71.04971	3.2
71.58109	4.8
71.89581	3.2
73.02903	8.5
79.05489	36.8
81.07053	54.6
83.08612	7.3
85.02901	30.7
85.40103	2.9
91.03961	22.8
91.05478	22.5
93.07041	57.0
95.04961	7.2
95.08601	50.4
97.02890	19.0
97.06551	3.1
100.11245	6.3
101.11685	3.3
105.07039	18.5
107.04915	2.6
107.08588	40.0
109.06516	3.4
109.10154	32.6
111.04417	3.7
111.08105	4.7
113.75995	3.1
117.07015	10.0
119.04984	3.2
119.08574	19.4
121.09389	4.6
121.10141	30.1
123.08080	3.1
123.11709	12.5
127.03903	9.5
131.08589	17.8
133.10123	16.4
135.08000	3.3
135.11671	28.4
137.09572	3.0
137.13260	4.1
145.04956	10.5
145.10133	19.0
147.11665	15.8
149.06003	4.7
149.09579	5.1
149.13243	26.7
159.11621	17.9
159.92027	3.4
161.05913	3.8
161.13312	4.7
163.05983	19.8
163.14809	10.2
172.13258	5.4
173.13286	6.8
187.14856	7.4
203.07019	20.8
204.07370	7.9
210.14905	3.2
219.21075	4.5
221.22070	2.7
229.19527	46.7
247.20578	100.0
247.23170	4.9
291.19720	4.7
321.24255	11.6
339.25238	36.7
459.74533	3.3
649.96564	3.1
663.29907	3.6
680.51569	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85426	1.8
54.16788	1.9
55.05499	8.4
57.03431	6.3
61.02930	22.8
65.03932	1.9
66.93780	1.8
67.05502	59.7
69.03431	2.7
69.07063	13.1
70.02467	9.4
71.04996	2.9
73.02920	6.0
76.65450	1.8
79.05494	35.8
79.05978	3.1
81.07052	70.2
83.08598	5.7
83.96570	2.2
85.02899	30.5
91.03954	23.6
91.05485	22.3
93.07040	53.6
95.04968	4.9
95.08604	66.2
97.02891	15.3
97.06512	3.9
97.10150	5.1
99.08096	2.2
103.28909	1.9
105.07019	19.0
107.08585	39.1
109.06552	2.8
109.10150	43.9
115.03928	2.7
117.07051	9.7
119.08591	14.6
121.10143	37.2
123.08071	2.2
123.11687	10.5
127.03929	9.3
131.08554	15.9
133.10130	15.4
135.11691	37.1
137.09550	2.6
137.13228	4.0
145.04951	11.9
145.10123	20.4
147.11653	15.1
149.09586	3.1
149.13257	25.8
151.11157	5.0
159.11682	22.4
161.13245	7.0
163.06006	17.3
163.14807	8.5
165.12729	3.7
167.67613	1.8
173.13257	14.7
175.15009	2.0
187.14778	6.7
195.13686	2.3
197.13567	2.0
201.16455	3.4
219.21086	4.5
228.68138	2.2
229.19524	40.9
247.20563	100.0
265.21689	3.4
321.24246	37.9
339.25272	40.6
340.25687	2.2
435.21860	4.7
453.22598	4.3
483.29550	5.6
663.29834	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	12.4
55.05499	19.4
57.58096	8.7
67.05502	64.7
69.07052	25.8
69.37239	17.9
69.37644	86.1
70.91386	9.3
78.83572	9.8
79.05482	29.7
81.03389	14.4
81.07082	49.0
83.04990	19.5
83.08620	14.1
89.03826	10.2
91.05491	16.7
93.07043	34.7
95.04937	22.3
95.08636	60.7
98.21458	16.8
105.07019	13.6
107.08592	13.5
109.10151	46.5
117.07020	10.6
119.08548	11.4
123.04389	16.2
125.09616	21.2
127.04005	9.5
131.04857	10.3
135.08122	9.3
137.05971	12.6
141.74057	9.7
147.04369	10.2
149.05965	12.3
153.07036	11.3
161.02357	13.4
161.05992	32.0
163.03925	46.3
163.07550	25.3
165.06975	10.1
168.64232	11.2
173.05971	65.9
173.11731	31.3
175.03871	26.5
177.05501	34.5
181.04924	16.2
181.06447	14.1
181.08664	12.0
184.07474	13.1
187.03912	12.4
189.05452	38.2
192.03995	11.8
199.07561	26.0
201.05513	30.8
203.07045	40.0
211.07515	14.6
213.05455	28.1
215.07007	18.6
217.04875	17.4
221.08072	14.6
223.07642	11.6
225.09062	12.0
227.07149	24.3
227.10614	16.7
228.94676	10.5
239.16423	25.0
251.10547	13.5
253.12257	18.8
263.10999	12.5
269.11740	71.7
271.13287	100.0
281.08554	12.5
281.11615	62.1
299.12814	22.0
301.14688	11.2
389.21030	14.8
407.21948	25.2
417.20599	28.0
435.21616	65.1
453.22772	43.5
500.25107	12.0
502.15164	12.3
510.20068	10.2
680.51129	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09268	3.3
55.05501	13.8
55.32614	3.1
59.04995	2.8
67.00896	3.9
67.05502	18.1
68.99785	4.6
69.07074	16.4
69.34351	3.1
69.59422	2.9
71.04962	3.4
71.58076	4.1
71.58469	5.5
74.16903	3.1
77.00888	4.1
78.01014	3.8
78.10322	3.1
79.05475	16.4
81.03411	6.5
81.07041	14.9
83.04951	5.1
85.02886	5.3
91.05467	15.2
93.07041	13.1
95.04940	5.9
95.08612	24.9
96.55404	3.0
96.91333	3.2
97.06498	4.3
97.10189	3.6
100.11235	8.4
105.03398	3.4
105.07034	10.4
107.04942	7.5
107.08579	10.6
109.06520	3.3
109.10129	10.7
111.04443	5.0
115.05434	5.9
117.06981	5.4
119.08541	7.6
121.10144	8.1
123.04433	8.1
129.07002	4.2
131.08542	4.2
133.06454	5.0
135.11548	3.6
137.09579	4.5
143.98453	3.1
149.09644	6.1
153.06964	11.2
161.02374	4.0
161.05978	55.2
163.03912	15.2
166.07686	4.4
173.05989	37.0
174.06569	3.6
179.08521	3.9
181.05016	7.6
181.06505	11.5
185.06006	7.5
187.03844	53.6
187.05228	3.7
187.07489	5.3
189.09087	10.0
195.07976	5.6
197.05984	8.0
198.06784	7.8
199.07559	16.2
201.05324	5.0
201.09082	35.9
203.07103	4.1
203.10646	6.2
205.04936	28.5
210.06863	4.8
211.07587	10.5
212.08247	5.7
213.05487	21.2
213.09464	6.5
215.06958	5.6
215.11198	6.3
217.04951	14.8
219.10254	5.1
223.07480	8.5
223.11269	6.6
225.09030	8.0
226.06299	5.3
227.07013	9.7
227.10719	13.8
231.10858	7.1
232.11009	4.2
233.11992	5.1
239.07072	8.4
239.10840	7.4
241.04892	9.4
241.12288	11.3
243.06505	6.5
245.12260	3.4
249.09006	5.4
251.07094	4.2
251.10648	7.0
253.08589	8.4
253.12585	10.1
255.06583	10.2
255.10153	44.9
257.12357	4.4
263.10681	4.9
265.12277	5.8
267.06540	4.7
267.10190	6.8
269.11722	22.9
271.13837	6.5
272.14182	5.9
281.11679	5.0
283.13382	7.2
301.11871	5.3
305.11581	4.3
316.18228	3.7
319.13391	5.7
323.69849	4.1
333.19174	9.1
334.19339	14.1
337.14478	4.9
339.15970	5.7
351.20142	25.8
352.20297	41.3
367.15341	17.1
369.21338	10.4
370.21420	20.3
383.14874	5.9
385.16360	3.9
385.58093	3.9
389.20953	9.1
393.23337	4.6
407.22177	35.0
417.20609	30.3
425.23071	13.1
430.74588	3.7
435.21658	100.0
453.22665	84.4
471.23499	5.8
513.23334	3.7
539.18384	4.0
540.99384	3.8
680.36578	4.5
680.51581	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
55.05514	24.4
57.03423	7.1
57.07058	9.3
61.02924	16.0
67.05503	85.1
69.03433	3.9
69.07070	26.4
70.90569	5.8
71.08625	3.6
73.02897	6.3
79.05495	19.6
81.07058	100.0
83.04951	3.1
83.08617	22.9
85.02914	18.5
85.06490	2.6
85.10172	2.6
91.03964	16.8
91.05481	19.9
93.07046	30.6
95.04971	2.0
95.08605	89.2
97.02882	9.0
97.06519	9.4
97.10182	13.3
99.08112	5.0
105.07014	11.8
107.08616	19.3
109.10154	44.4
111.08046	3.7
111.11727	4.7
113.09579	2.9
119.08558	12.5
121.09338	2.4
121.10148	25.9
123.08070	2.2
123.11704	22.5
127.03881	6.3
131.08586	2.6
133.10124	17.3
135.11693	12.3
137.09567	2.0
137.13252	8.2
139.11066	2.4
141.12694	4.6
145.04953	7.9
147.11667	9.3
149.13275	11.1
151.11205	2.2
151.14804	9.3
155.06805	1.8
155.14320	5.1
161.13287	13.4
163.03850	3.5
163.05991	9.8
163.14783	12.7
165.16437	10.7
167.03397	8.5
175.14813	11.6
177.16389	2.5
179.17963	11.2
181.15942	2.5
189.16360	3.5
205.08549	5.6
217.19582	2.3
219.10150	10.7
245.22632	63.4
263.23715	89.4
264.23972	3.4
337.27365	70.5
355.15256	2.5
355.28418	6.4
484.40945	2.1
496.90518	2.4
499.32666	5.6
503.56613	2.2
610.74762	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05514	7.2
64.38985	2.1
65.03949	3.3
67.05508	8.7
68.74536	2.2
69.03429	3.4
69.07067	10.1
69.45757	21.6
70.06564	3.1
79.05493	5.5
81.03401	3.9
81.07059	4.9
82.06570	2.7
83.04964	2.7
83.08607	2.8
85.02887	4.2
86.09734	2.7
91.05473	6.2
93.07040	9.8
94.06559	12.8
95.04968	5.0
95.07349	5.2
95.08597	5.4
96.08136	13.7
97.02900	2.4
97.06515	3.3
100.11246	13.6
105.07040	5.0
106.06570	9.2
108.08131	19.2
109.02867	2.6
109.06557	3.0
110.06049	3.6
110.09686	22.0
111.04440	3.8
120.04499	6.2
120.08101	16.3
122.06039	10.4
122.09645	2.3
124.07574	14.9
134.05962	2.9
134.09642	3.6
136.07594	22.4
136.08611	3.5
137.05949	3.4
138.05516	3.3
138.09128	30.8
140.07077	9.6
144.04445	5.0
145.10074	3.7
146.06001	21.0
148.07571	14.7
150.09235	12.8
152.07091	20.3
154.04996	6.9
158.06018	3.1
159.11699	3.2
160.07567	3.1
162.05557	6.6
162.09152	5.7
163.03821	3.0
164.07016	11.5
166.07231	3.5
166.08636	70.2
167.07143	2.9
172.03954	15.9
173.57010	2.2
176.07010	2.4
182.15378	4.6
184.07672	2.4
190.04999	23.2
192.10158	3.0
197.10806	2.5
198.11501	5.3
199.12378	2.2
204.06544	33.0
205.08687	3.5
206.08171	4.0
208.09819	5.6
209.10748	5.4
209.16527	2.7
210.09036	2.8
210.11520	3.8
210.14799	5.5
211.12265	9.4
212.09279	4.1
218.08147	3.6
223.12341	7.6
225.10179	8.1
226.10999	4.0
227.11815	5.2
229.13438	2.8
235.08609	3.8
236.09315	4.5
237.10197	12.0
238.11006	7.8
239.11710	16.1
241.13396	2.8
243.11296	6.9
248.09343	5.5
249.10141	15.1
250.10896	8.8
251.08203	2.5
251.11798	19.9
252.12512	6.9
253.09586	5.0
253.13365	9.1
255.11324	8.3
256.12085	4.1
263.11810	26.9
264.08838	6.3
264.12531	9.3
265.09732	8.5
265.13342	15.6
266.10446	7.3
267.11496	11.9
269.12888	8.5
271.10776	2.6
271.14398	5.2
273.12268	7.6
277.09763	7.5
279.11322	31.1
280.11841	4.2
281.12927	12.8
282.10190	4.5
283.10703	7.9
284.11444	4.1
285.12402	26.1
287.13995	4.2
291.11295	24.7
292.12027	5.5
293.12863	21.9
295.10730	7.9
297.12335	51.8
298.13101	5.1
299.13947	25.1
301.11911	7.7
303.13443	6.2
305.14905	3.9
307.10596	4.0
309.12302	26.7
311.10641	3.5
311.13885	13.8
313.11783	4.5
315.13440	32.8
319.10654	13.5
321.12323	6.5
323.10278	9.8
325.11768	29.0
327.13458	7.6
329.15048	2.9
337.11807	83.8
337.15839	4.6
339.13443	5.6
341.11230	5.1
343.12866	5.8
345.14420	3.3
355.12839	4.6
357.14340	12.2
369.14389	7.9
373.13980	5.5
400.15961	3.1
401.13492	7.0
416.15884	5.2
420.19067	5.5
446.21353	2.9
449.19559	3.9
450.20239	5.5
458.16861	6.8
462.20306	6.9
464.22049	60.6
474.20468	3.1
476.18036	7.8
478.19919	3.0
482.18948	3.9
490.19861	100.0
491.20319	3.4
492.21188	5.5
505.68762	2.7
508.20648	6.3
522.22394	42.2
523.23035	4.5
526.22345	2.9
603.27289	2.4
611.24762	8.5
629.26215	11.5
643.25128	3.0
647.27197	18.7
661.49701	3.5
679.50989	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
56.85628	1.5
65.03926	2.6
67.05500	3.4
69.03442	2.0
69.07061	4.7
70.06582	2.5
79.05482	6.5
81.03431	3.2
81.07040	4.9
82.06586	3.3
83.08627	3.0
85.02904	3.0
89.03942	2.4
91.05479	3.8
93.07052	9.3
94.06568	10.8
95.04964	3.1
95.07355	4.3
95.08614	5.1
96.08135	16.7
97.02917	1.6
97.06535	4.8
99.22652	1.6
100.11255	13.6
103.05456	1.5
103.93316	1.4
105.07001	2.7
106.06549	7.4
107.04919	2.1
108.04482	1.8
108.08125	18.8
109.02862	2.0
109.06526	2.0
110.06050	3.7
110.09673	30.0
111.04466	3.7
118.06519	2.8
119.08568	2.0
120.04450	6.8
120.08102	19.5
122.06048	12.4
122.09638	2.5
123.06804	1.9
123.55005	1.8
124.07609	15.5
132.08028	1.6
134.06012	5.1
134.09610	3.7
136.07576	28.6
137.05943	2.9
138.05510	2.2
138.09140	40.9
140.07072	6.7
144.03214	1.4
144.04405	5.3
145.10132	1.8
146.04968	2.4
146.06015	28.0
146.09671	2.8
147.04451	2.2
148.07558	17.3
150.09122	10.1
152.07056	19.5
154.04971	2.8
158.06024	2.3
160.07573	4.2
162.05502	3.7
162.09178	1.9
163.03905	2.6
163.07555	2.5
164.07072	15.0
166.08635	83.3
172.03941	21.5
172.07603	1.6
174.05475	3.0
175.03940	1.8
180.06476	1.7
182.08151	3.1
182.15405	5.6
186.09204	1.8
190.04961	20.9
197.10744	3.5
198.11479	3.0
199.08791	1.6
199.12375	3.3
204.06548	28.3
206.08167	2.5
207.06451	3.5
208.09613	1.8
209.10709	4.0
209.16544	3.5
210.11522	5.4
210.14909	6.5
211.12317	9.0
212.09360	2.2
212.13065	3.2
213.10265	2.3
218.08148	4.4
222.11485	1.9
223.08800	2.4
223.12315	7.5
225.10176	8.7
225.13919	3.6
226.11081	4.8
227.11833	8.1
235.08655	4.7
235.12221	4.1
236.09473	4.4
237.10184	12.6
237.13828	4.7
238.10873	10.3
239.11740	18.8
240.12497	2.7
241.09756	2.6
243.11337	3.4
245.12712	1.8
246.07481	2.1
248.09476	4.5
249.10234	14.8
250.10953	10.6
251.07971	2.0
251.11815	23.3
252.08875	2.2
252.12627	6.2
253.09795	3.2
253.13315	8.8
254.10191	2.1
255.11302	8.0
256.11975	2.9
257.12830	4.8
262.11078	4.2
263.11789	36.9
264.08826	4.9
264.12552	9.2
265.09814	8.1
265.13336	12.4
266.10458	6.9
267.11282	15.5
269.12845	9.1
271.10831	3.7
271.14398	5.1
273.12396	5.7
276.08826	3.3
277.09805	5.0
277.13159	1.6
278.10486	7.2
279.11258	34.4
280.12042	5.3
281.12875	18.7
282.09900	2.7
283.10742	9.6
283.13718	1.7
284.11514	5.5
285.12338	22.5
287.13934	4.5
288.11917	1.8
291.11258	26.3
292.11987	7.2
293.12836	26.7
295.10831	5.2
296.11557	5.3
297.12320	58.5
298.13010	5.3
299.13861	30.1
301.11844	4.5
303.13422	3.7
305.14902	3.0
307.10742	3.9
309.12335	32.0
310.13116	2.7
311.10211	5.4
311.13885	17.5
313.11719	3.6
313.15417	1.9
315.13373	38.0
319.10730	20.5
321.12479	7.6
323.10367	9.5
325.11823	38.8
327.13351	6.4
328.14328	2.2
335.12613	1.9
337.11798	96.4
338.12381	4.1
339.13489	8.1
341.11234	3.7
342.12347	1.9
343.12985	9.2
355.13043	2.8
356.13791	2.8
357.14413	11.5
361.13834	2.0
362.18564	2.5
369.14462	7.1
370.15500	2.3
371.16129	4.1
373.14142	2.9
374.14557	1.9
386.18994	2.0
398.15085	1.9
399.15869	2.1
401.13394	9.1
402.17758	2.8
404.19852	3.8
416.15695	3.7
418.21268	3.2
422.21268	2.3
430.17505	3.7
432.19067	2.4
444.19382	2.2
446.21310	4.1
448.18472	2.7
449.19507	5.6
450.20554	7.6
458.16986	6.9
462.20117	10.9
464.22064	62.4
465.22345	2.0
472.18527	5.4
476.18268	10.8
482.19437	3.2
490.19727	100.0
491.20218	3.6
492.21097	3.2
508.20572	7.0
514.21844	2.4
522.22491	43.3
523.22607	3.8
587.24994	3.0
611.24756	9.8
629.26294	9.8
647.27136	24.3
679.29297	2.7
679.50952	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25808	18.0
57.19474	19.2
71.58578	29.6
73.05023	18.8
80.01237	20.2
96.05561	21.9
96.17010	18.7
196.69136	24.6
235.29027	21.7
238.16109	26.4
405.22021	20.8
459.21719	85.0
475.21509	44.1
560.73883	24.9
561.24506	21.7
606.28003	78.5
607.27930	21.7
621.26794	49.5
622.27368	100.0
678.29456	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06876	1.3
53.03940	4.0
55.01857	1.7
55.05507	14.5
57.03433	7.1
57.07064	3.6
60.20563	1.1
61.02929	25.9
65.03944	3.3
67.05502	78.2
69.03415	3.9
69.07063	16.6
71.04995	3.6
71.08609	1.6
73.02917	9.4
75.04482	1.5
79.05488	52.2
81.03433	2.1
81.07053	89.9
83.08619	9.3
85.02902	27.4
85.06541	2.9
87.10054	1.2
91.03957	26.7
91.05473	28.5
93.07040	69.4
95.04974	4.4
95.08602	62.9
97.02892	14.6
97.06537	3.7
97.10187	3.8
99.04459	2.0
99.08099	2.6
105.07030	24.0
107.08593	45.3
109.02883	1.3
109.06501	4.0
109.10151	33.6
113.09668	2.0
117.06994	12.7
119.08582	16.7
121.10139	38.3
121.11031	1.8
123.11699	20.2
125.09632	1.8
127.03927	7.0
127.04735	1.3
129.06947	1.3
131.08575	25.1
133.10123	16.8
135.11687	28.2
137.09615	2.7
137.13278	7.1
139.11159	2.6
142.06166	1.5
145.04985	12.5
145.10141	17.2
147.11681	11.5
149.12184	2.0
149.13266	23.7
151.11156	1.7
151.14853	2.1
153.12790	1.4
159.11685	16.3
161.13228	10.7
163.06001	16.7
163.14809	18.5
165.12810	2.3
167.14349	1.4
173.13255	18.1
175.14836	4.8
177.12805	1.4
177.16435	6.4
179.14227	2.8
187.14780	8.6
201.16393	3.5
205.15955	1.5
215.17924	1.6
219.17468	2.3
225.01680	1.3
233.22632	3.6
243.21109	32.2
261.22128	100.0
263.23779	1.4
279.23233	2.2
314.51480	1.3
321.50201	1.4
335.25748	14.2
353.26807	25.4
497.30832	1.6
613.38446	1.4
617.23254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.1
56.81200	2.1
57.03429	5.4
60.59386	2.1
61.02924	11.9
65.03933	2.6
67.05504	81.1
69.03413	2.1
69.07065	14.6
70.54665	2.2
71.04994	2.5
73.02911	7.5
79.05495	42.7
81.07055	82.0
83.08624	8.5
85.02908	17.6
85.06534	2.5
91.03947	16.2
91.05474	21.7
93.07047	54.8
95.04948	6.1
95.08604	62.5
97.02885	7.6
97.10161	4.2
98.21507	7.4
99.08067	3.6
105.07034	16.4
107.08588	30.3
109.10159	40.3
117.07017	10.7
119.08573	16.0
121.10136	34.1
121.19175	2.0
123.11703	16.1
125.09636	2.5
127.03902	6.6
131.08568	18.7
133.10118	14.8
135.11699	30.9
137.13232	7.8
139.11299	2.2
145.04959	8.2
145.10124	14.1
147.11693	10.1
149.13243	19.1
159.11691	14.2
161.13260	10.7
163.06039	8.0
163.11099	2.8
163.14828	15.6
165.12717	2.3
173.13187	11.9
175.14824	3.1
177.16396	4.6
179.14322	3.0
187.14742	12.6
201.16322	3.7
243.21074	33.0
261.22134	100.0
279.23111	4.0
329.24307	2.6
335.25775	28.8
353.26877	29.9
383.15808	2.8
497.31018	4.5
677.34955	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.9
56.08477	1.5
65.03925	1.5
67.05492	6.0
69.07069	2.0
70.06572	2.4
79.05491	1.8
81.03412	12.5
82.03729	2.2
83.08614	2.3
85.02888	2.9
91.05486	3.8
93.05762	3.9
94.06564	3.6
95.04960	5.7
97.02905	2.7
103.05488	1.8
105.07020	2.0
107.07308	1.5
108.08114	67.6
109.06507	1.9
112.07608	1.7
120.08110	2.2
122.06048	2.1
124.07523	2.5
131.08571	1.4
136.07576	100.0
137.05966	5.0
138.05479	4.8
138.09145	2.6
140.07043	8.0
146.05998	4.9
148.07587	2.2
150.05524	1.5
152.07117	3.0
158.89523	1.4
162.09189	1.9
164.07057	13.9
166.08655	2.0
168.06619	1.9
174.05504	2.0
190.08658	3.5
193.12222	6.4
194.12579	3.5
199.08582	1.8
200.09300	1.7
204.06619	2.6
206.08104	2.7
211.08705	5.1
212.09322	2.4
213.10190	4.7
218.08133	3.5
225.10268	9.1
227.08130	5.2
227.11888	3.1
239.11752	10.3
240.08844	2.9
241.09679	6.5
249.10068	1.5
253.09779	8.5
254.10440	3.1
255.07698	2.6
255.11337	6.9
259.10779	1.9
265.09653	1.6
267.08072	2.3
267.11261	15.1
267.15863	3.4
268.11926	2.1
268.16190	3.4
269.09198	2.0
269.12808	1.6
271.10739	1.8
273.08563	2.1
275.14001	3.5
279.11050	2.0
281.09241	2.7
283.10797	5.3
284.11487	2.2
285.12268	4.6
285.16858	7.3
286.17435	7.1
295.10785	9.4
297.12292	13.2
299.10251	6.7
300.10864	2.9
303.13440	4.2
311.10211	4.6
313.11801	49.9
314.12381	2.3
323.10272	6.8
325.02792	1.5
327.13419	1.6
328.10724	1.9
329.11398	2.6
341.11301	46.2
342.11844	5.1
343.12943	3.0
346.11554	2.2
355.12909	3.9
359.12399	5.7
360.13168	4.8
361.14047	1.9
364.12616	1.8
373.13962	57.3
374.14557	2.5
390.14499	1.8
406.17755	1.8
409.13483	2.4
434.17184	2.2
436.18771	1.8
437.19641	2.1
438.20453	2.0
441.16437	1.9
452.18011	6.6
453.19083	2.5
454.19611	2.5
462.16507	3.9
464.18274	2.6
476.18048	5.4
480.17624	14.6
481.18207	5.5
482.19189	22.2
494.18918	1.8
495.19867	6.2
512.19830	5.8
513.20819	2.7
514.21472	8.0
573.26727	2.1
583.26410	2.9
599.24750	5.8
600.23401	1.5
601.26721	11.0
603.24524	2.7
617.26050	20.1
627.24689	11.4
628.22864	2.1
645.25494	32.0
659.26807	8.6
677.27820	18.3
678.28802	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.281
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18789	2.4
66.02815	2.4
67.05500	3.9
69.03435	3.6
70.06580	3.8
79.96207	2.3
81.03407	3.6
81.07051	5.3
85.02939	2.5
86.16245	2.2
87.56430	2.2
91.05476	2.6
93.05762	2.5
93.07045	3.8
94.06541	5.6
95.04967	4.8
96.08140	4.9
97.06512	2.7
105.07051	3.9
108.08121	9.7
109.10151	3.7
109.95242	2.3
110.09687	3.2
116.05013	2.9
120.04425	3.4
120.08098	7.9
122.06016	7.7
124.07620	4.7
127.03896	3.2
134.05984	5.8
136.07576	10.1
136.47209	2.2
137.05994	3.0
137.09567	2.4
138.05536	5.4
138.09132	11.9
144.04436	8.1
146.06013	7.4
148.07500	2.9
151.00974	2.3
160.03893	2.8
161.05998	4.2
162.05496	7.1
163.03955	3.1
166.08656	11.3
172.03929	43.1
176.07127	3.3
190.05031	10.1
204.06558	100.0
204.08490	5.5
205.06776	3.3
213.10236	5.1
215.11824	4.4
225.10146	5.8
227.11816	2.9
237.10315	3.8
238.11070	2.6
239.11732	3.2
241.09747	4.7
243.11354	20.2
250.10828	3.0
251.11412	2.6
255.11314	3.7
259.10788	3.2
261.12433	5.7
265.09641	7.4
267.11212	3.1
279.11328	3.1
283.10736	9.0
285.12299	14.8
287.10266	6.9
297.12445	3.7
299.14133	4.0
301.11658	2.8
303.13388	54.1
306.13782	3.2
311.10233	19.9
313.11960	4.7
321.14468	18.6
323.10150	6.2
325.11823	7.9
343.12909	10.2
357.14499	16.9
358.15518	4.2
371.12637	3.6
372.13504	4.1
385.14075	3.2
386.14807	8.9
403.15414	3.1
404.16263	3.2
414.14343	8.2
415.15182	16.5
420.15466	4.8
432.15329	10.6
456.14758	3.0
462.16632	12.5
474.16541	26.4
475.17252	3.1
506.19485	11.3
571.21771	4.1
583.24994	4.5
585.23132	5.4
609.23083	7.3
613.23096	18.1
627.24457	55.2
628.24628	5.5
659.26489	6.9
677.33893	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83556	2.7
55.01860	2.4
55.05512	3.9
58.13057	2.2
65.03909	3.0
67.05498	4.3
69.03439	3.4
69.07075	3.4
70.06570	3.9
71.58178	2.7
78.90945	2.2
79.05482	6.8
80.04984	3.2
81.03395	4.1
81.07054	6.1
85.02888	3.5
86.09700	3.3
88.96563	2.6
91.05453	7.6
93.07008	8.7
94.06592	12.6
95.04948	2.5
95.07365	3.2
95.08598	7.1
96.08143	13.8
97.02880	3.4
97.06517	3.9
103.05477	3.0
105.07035	4.8
108.04442	3.9
108.08119	29.2
109.02851	5.8
109.08440	4.9
110.09677	18.2
116.04964	3.9
120.04461	5.1
120.08113	12.0
120.08842	2.6
121.02824	3.8
121.06536	3.0
121.10116	5.2
122.06023	11.5
122.33232	2.7
123.04438	4.0
124.07578	11.1
133.10091	4.1
134.05966	4.1
136.07597	26.7
137.02332	2.9
138.05446	3.1
138.09152	22.8
144.04460	7.8
145.10161	4.3
146.06003	11.5
148.07545	10.2
149.05978	3.8
152.07051	4.2
160.03934	5.1
162.05493	7.7
163.03882	7.5
163.07552	3.1
164.07065	4.8
166.08650	19.3
167.07059	4.3
172.03937	31.5
172.07602	3.1
174.05717	2.6
176.07130	4.4
185.86266	2.5
186.09204	3.9
190.04984	26.6
198.14777	3.1
204.06567	46.9
205.06903	5.8
213.10239	6.9
215.11768	5.4
225.10231	5.6
226.08838	3.3
226.10808	2.7
227.11809	3.3
236.09351	3.5
237.10255	5.1
239.11751	4.0
241.09669	8.6
243.11263	17.6
249.10242	3.6
251.11786	4.5
253.09714	6.7
255.11273	2.9
259.10730	17.1
260.11078	9.7
264.08871	4.2
265.09625	6.0
267.11197	4.5
269.08981	3.6
271.10770	3.4
273.12286	10.2
277.09668	3.4
279.11176	6.4
283.10754	9.3
284.11334	3.9
285.12411	26.0
287.10257	9.5
293.09103	2.8
297.12329	10.0
299.10287	6.7
299.13843	7.2
300.11191	5.0
301.11896	19.1
302.12366	10.3
303.13385	35.0
307.10706	3.3
309.12323	2.8
311.10284	4.8
313.12067	5.5
319.12964	2.9
321.14474	4.1
323.10172	5.3
324.11081	6.1
325.11755	33.5
327.13431	8.2
328.14075	2.8
329.11261	5.1
330.12372	5.6
341.11346	4.6
343.13086	15.1
344.13965	6.1
345.14813	4.2
346.15308	5.7
353.11646	3.3
354.12296	3.5
355.13080	2.8
356.13925	5.7
357.14520	13.9
358.15417	11.0
367.12643	2.9
367.62195	2.6
368.13821	3.2
370.11670	2.9
371.12592	6.1
372.13190	5.4
373.13943	15.3
374.14587	6.1
385.14227	4.2
386.15009	16.5
387.15607	7.0
397.09079	2.9
398.14828	4.1
399.15524	3.5
401.13382	4.4
402.14346	5.7
404.15799	6.1
406.17587	5.6
414.14352	10.1
415.15274	26.9
416.15765	5.7
418.17477	4.8
420.15503	4.1
430.17365	6.9
432.15421	20.6
435.17010	2.8
446.17319	3.9
456.15512	7.4
462.16568	20.8
474.16547	47.2
476.18271	2.8
494.18967	4.9
506.19131	12.2
530.21167	5.5
565.23517	3.0
568.22534	4.0
581.23944	4.5
583.25201	5.8
585.23285	10.3
586.23273	3.0
599.24554	9.4
609.23169	23.9
627.24426	100.0
628.24335	4.0
641.25122	10.0
645.24286	2.9
659.25671	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01860	3.1
55.05264	4.1
55.05508	41.3
56.96569	2.6
57.07061	5.0
58.38374	3.1
61.50739	2.7
65.03936	3.1
67.05502	82.1
69.07064	37.4
70.03543	12.1
70.18423	2.6
79.05491	54.3
81.06583	5.5
81.07051	88.6
83.04981	3.7
83.08593	16.2
85.79958	2.6
91.05473	48.4
93.06481	3.6
93.07046	61.0
95.04949	10.7
95.08602	64.9
97.06531	6.5
97.10155	11.5
98.21471	5.7
100.66658	2.8
104.90791	3.4
105.07033	59.2
105.07695	2.3
107.08589	47.0
109.06524	3.7
109.10159	38.2
115.05510	4.1
117.07027	29.9
119.08570	42.0
121.10147	28.5
123.08047	4.7
123.11735	13.6
128.06227	6.7
129.07002	23.2
131.08563	42.7
133.10123	37.7
135.11700	20.7
141.06978	11.2
141.12819	2.5
142.07759	6.6
143.08565	27.0
145.10133	33.4
147.11691	19.7
149.13235	11.2
155.08553	22.6
157.10109	25.6
159.11684	27.2
161.13228	14.8
163.14828	5.2
165.06956	4.4
167.08588	12.3
169.10130	20.6
171.11676	21.5
173.13257	21.6
175.14841	7.9
177.16449	4.3
179.08575	6.1
181.10185	17.6
183.11723	20.1
185.13214	19.7
187.14836	9.0
193.10126	7.8
194.10916	3.4
195.11691	10.7
197.13213	15.8
199.14778	14.2
201.16327	6.0
203.17958	4.7
207.11754	5.7
209.13313	12.4
211.14854	9.3
213.16473	10.2
215.17886	3.9
223.14848	9.6
225.16444	7.4
227.18027	4.0
237.16411	6.0
239.17992	5.7
241.19566	3.1
246.74725	2.8
249.18604	3.3
251.17824	3.5
251.20213	3.9
253.19463	5.3
277.21591	16.4
287.20004	3.2
289.21814	5.1
291.23282	7.1
301.21790	4.8
303.23029	7.0
305.24786	3.5
315.23062	7.4
317.24756	6.3
333.20349	8.3
341.24805	3.9
351.21783	3.1
353.24548	3.9
365.22888	24.2
373.31268	4.9
379.26135	3.0
381.11652	6.8
385.30963	4.2
395.29572	4.3
397.30957	8.0
399.32339	3.2
409.31067	3.5
410.07019	3.4
421.31009	3.5
423.32529	8.0
491.38412	3.6
513.30444	4.3
534.18640	3.0
587.44696	5.3
589.33557	3.7
605.45532	16.8
606.46295	6.3
657.41278	3.3
657.51862	5.9
675.35693	34.6
675.43793	23.2
675.53473	100.0
676.34814	6.9
676.54156	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
56.96546	0.9
58.99859	1.4
67.05490	2.0
69.03407	1.0
69.07069	1.6
70.28979	3.1
77.00906	8.9
79.05479	2.6
81.07043	2.5
83.08611	1.0
86.02312	0.7
90.01295	0.6
91.05469	2.6
93.07037	2.8
95.01948	6.3
95.04967	0.9
95.08601	1.8
98.20836	1.1
104.86186	0.6
105.07047	4.5
107.04958	4.5
107.08598	1.6
109.06556	0.9
109.10133	1.0
115.02384	0.9
116.62010	0.7
119.04934	0.7
119.08564	2.0
129.03996	1.6
129.06975	0.8
131.01913	0.9
131.08562	0.9
133.03424	0.7
133.10092	1.4
135.05086	0.9
135.08028	1.5
135.11649	0.9
141.03964	0.9
143.08566	2.2
145.10115	1.3
147.05005	2.4
149.06657	1.4
157.03560	0.9
157.07043	0.8
157.10165	1.1
159.05008	0.9
159.11578	1.0
161.06706	1.2
163.07512	1.5
169.07007	0.8
169.10138	0.7
171.05031	1.2
171.11713	1.3
173.06601	3.3
175.08250	0.9
179.05569	1.2
179.07014	1.7
181.07129	1.4
181.08620	1.7
183.08649	1.1
185.06657	1.2
185.10204	1.4
187.08177	3.9
189.06090	0.7
189.07655	0.9
191.07729	4.2
193.07280	1.1
195.08586	0.9
197.06528	1.5
197.10175	0.8
199.08160	2.3
201.09737	7.3
203.09309	1.4
203.11275	2.7
205.09216	2.5
207.08540	1.6
209.06633	1.5
209.10170	1.0
211.08124	3.1
213.09639	4.3
215.11264	2.4
217.09262	1.2
219.10754	4.6
219.14201	0.7
221.10217	3.2
223.08138	1.7
223.11713	1.0
225.09702	7.2
227.11327	2.3
229.09193	6.3
231.10696	5.0
231.14384	2.7
235.11673	1.5
237.09705	2.6
239.09035	1.4
239.11296	16.8
241.09279	1.0
241.13242	0.9
243.10785	20.4
243.14412	0.8
245.12363	2.2
247.10107	1.2
249.09831	2.3
251.11209	1.0
253.12860	2.1
255.10745	1.4
257.12302	18.7
259.08118	0.8
261.11847	1.6
262.10455	1.6
262.12860	1.5
266.12448	1.8
267.10776	3.6
267.14224	1.1
269.12552	1.1
270.13004	0.7
271.14124	1.4
275.14883	1.5
279.10794	1.2
279.14224	1.3
281.12314	1.2
287.14853	1.4
287.18311	0.8
289.16513	1.7
293.12936	0.8
293.16025	3.0
297.12064	1.2
297.15488	0.7
297.85483	0.7
301.16495	1.1
302.04190	1.1
307.13855	1.1
307.17432	1.2
311.17102	1.4
313.16415	16.0
319.17310	0.9
331.17511	81.7
332.17786	2.6
349.18582	100.0
350.18887	3.1
351.25507	1.6
354.18961	4.4
367.19644	75.5
368.19717	2.2
372.20145	7.3
383.17606	1.3
390.21280	12.4
495.16412	1.7
507.86197	0.8
597.98743	0.9
639.37500	8.6
657.38477	10.5
675.29077	0.9
675.39557	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14954	1.0
56.96295	2.6
56.96566	36.7
56.96848	2.0
65.09270	1.0
67.05529	1.2
69.03455	1.5
69.07101	1.0
70.78711	2.5
70.79047	1.4
71.95258	2.9
74.97654	1.4
79.05484	1.6
88.77321	1.1
91.05496	2.4
98.97570	1.3
105.07040	2.3
107.08561	1.2
110.97570	1.6
115.00706	1.7
128.98654	4.0
133.01776	1.2
133.10146	1.5
141.02261	1.4
143.08426	1.1
146.93867	1.1
146.99670	3.8
155.03831	2.4
157.01736	1.8
159.03305	2.1
163.07535	2.6
167.00102	1.1
167.03778	2.5
171.03368	4.5
173.01187	1.8
173.04910	1.8
175.02846	1.8
177.04320	1.6
179.03728	1.7
179.07059	4.8
180.07452	1.3
181.08627	1.8
183.03322	2.8
185.04938	4.2
187.02821	2.2
189.04413	8.0
191.05992	1.6
193.03763	1.5
195.03226	1.4
195.07031	1.2
197.04878	3.2
199.06392	11.3
200.85304	1.1
201.04395	2.0
203.05946	5.4
211.06400	3.2
213.07991	8.8
213.34119	1.1
215.05962	1.7
217.07468	19.0
223.06445	7.1
225.08121	2.6
227.05841	3.4
229.07457	9.2
231.09015	11.0
235.06396	2.8
235.08629	1.8
237.07938	1.8
241.07451	25.9
243.09015	3.3
245.06996	3.6
247.08553	4.5
251.09549	2.6
253.07394	8.0
255.09021	7.5
259.08539	41.1
261.10144	2.7
264.09293	1.7
265.11176	2.0
267.09097	2.3
269.10641	11.8
271.08398	5.7
273.10242	6.1
277.09164	6.0
282.10104	3.9
285.10117	2.3
287.11661	2.1
289.09674	1.5
292.12311	1.3
295.11880	1.3
296.09222	1.4
319.15765	2.6
329.14270	9.1
331.15622	11.1
337.16718	1.4
347.15335	47.3
349.16739	22.7
350.17285	2.4
365.16354	92.5
367.19635	1.8
369.20575	1.4
370.16891	2.1
372.18631	2.8
383.17401	100.0
388.17972	6.0
401.18533	8.7
406.18973	13.0
460.28204	1.7
657.36719	10.7
675.38953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.9
55.01859	6.6
55.05514	30.9
57.03436	49.8
57.07084	4.8
57.97669	3.7
61.02927	50.8
67.05504	87.1
69.03426	54.9
69.07068	21.8
70.76283	13.8
71.01373	5.5
71.05000	28.0
73.02920	19.7
79.05493	76.6
81.03422	43.8
81.07054	100.0
83.04976	15.1
83.08607	15.3
85.02904	82.6
85.06570	9.5
87.04466	4.8
91.03960	29.8
91.05478	74.6
93.07046	94.4
95.04967	23.6
95.08601	79.1
97.02890	83.0
97.06548	15.0
97.10147	7.4
99.04446	17.7
101.02375	19.4
103.03935	11.3
103.05476	3.9
105.07024	67.3
107.04955	8.2
107.08586	66.3
109.02875	25.7
109.06528	10.0
109.10152	27.7
111.08051	5.4
115.03946	5.0
115.05399	4.4
117.06982	27.1
119.08587	59.1
121.06474	5.8
121.10145	56.6
123.08068	12.7
123.11687	7.3
125.09651	7.9
127.03911	40.6
129.05473	4.9
129.06976	14.2
131.08565	40.2
133.06540	4.7
133.10133	52.2
135.08046	7.4
135.11687	43.2
137.09651	7.2
142.07872	4.1
143.08588	18.3
145.04965	11.6
145.10114	32.3
147.08131	4.6
147.11699	34.9
149.09648	7.0
149.13225	19.7
153.05579	4.3
155.08447	4.7
157.10176	14.8
159.06592	4.5
159.08044	5.3
159.11723	31.5
161.13271	15.3
163.04048	4.2
163.11166	6.2
163.14844	11.4
165.12830	5.0
171.11745	9.7
173.13235	23.5
175.11206	8.4
175.14813	12.1
177.12778	4.4
179.14337	4.5
183.06511	12.3
183.11644	5.5
185.13226	9.6
187.14793	21.3
189.12753	6.6
189.16490	4.3
201.07617	6.5
201.16409	4.7
205.15906	10.1
235.06065	4.2
241.19562	15.6
259.20551	54.2
275.20099	5.8
277.21606	86.4
293.21176	10.1
333.24295	11.6
343.22812	4.2
351.25253	78.7
477.28671	8.9
495.29465	9.6
513.30396	9.8
675.21472	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52492	0.4
70.29192	0.7
70.29594	1.0
72.07615	0.4
81.07040	0.7
91.05454	0.5
98.20838	0.5
105.07015	0.6
107.08597	0.4
146.79051	0.4
235.85799	0.5
264.33344	0.5
292.48273	0.4
313.22336	0.8
329.20248	0.4
333.20438	0.4
347.09473	1.2
365.22913	0.9
367.18015	0.5
430.12103	0.5
513.30286	20.6
514.30664	0.7
589.33478	0.7
675.35449	100.0
676.35657	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.05510	17.7
55.45769	6.0
56.96542	6.3
57.03441	13.4
61.02926	31.6
67.05505	54.4
69.03419	24.2
69.07075	17.6
69.93597	17.5
69.94013	22.2
79.05495	54.6
81.03423	18.0
81.07056	56.4
83.08606	7.3
85.02906	42.1
91.03960	16.3
91.05489	52.6
93.07052	60.2
94.07330	6.7
95.04975	11.1
95.08591	33.0
97.02895	19.7
102.64713	6.7
105.07030	59.7
107.04934	10.5
107.08618	42.0
109.06518	13.4
109.10139	21.5
117.07020	17.2
119.08566	43.0
121.06509	9.4
121.10144	24.2
123.27254	6.1
127.03846	9.7
129.07030	16.7
131.08572	24.3
133.10100	30.9
135.11696	23.1
137.05937	7.9
143.08545	11.3
144.07169	7.3
145.10149	19.4
147.11665	27.7
149.13283	22.4
159.11717	14.4
161.05988	7.5
161.09576	6.8
161.13280	19.6
163.03928	15.8
164.04211	12.0
171.11659	12.9
173.13287	14.7
175.14857	10.2
179.07095	11.2
185.13272	13.1
189.12828	7.1
199.14824	8.2
201.58965	6.9
202.91783	7.4
219.17487	20.9
220.17831	23.8
241.19641	19.3
259.20511	46.8
277.21597	10.0
305.90555	6.8
349.23807	7.4
351.25250	100.0
441.26416	12.4
459.27371	8.7
476.88293	6.9
477.28619	11.1
495.15781	10.2
495.29181	15.0
513.17407	14.8
571.18555	10.0
667.77869	7.6
675.22571	8.7
701.18939	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17977	0.5
54.33949	0.6
69.76849	3.6
72.49945	0.6
140.92946	0.6
161.20488	0.6
191.42436	0.6
239.37973	0.7
384.02750	0.6
385.57550	0.6
403.16809	0.6
445.18860	0.8
453.16226	1.3
454.16730	0.9
455.13123	0.8
466.13113	0.9
468.14288	2.0
469.14673	8.5
470.15900	2.2
471.17096	0.9
472.17966	0.9
481.15234	1.8
482.15842	11.3
483.16626	10.4
484.17270	1.9
485.18530	1.3
487.16248	0.8
495.16638	3.0
496.17371	6.4
497.18259	39.7
498.18958	5.8
499.19028	0.8
501.17856	0.9
509.14426	0.7
510.19315	1.8
511.20038	5.7
512.20569	1.4
515.19177	3.5
528.16553	2.2
541.17407	1.1
542.18140	1.9
555.18335	4.0
556.19067	3.3
557.20300	3.2
583.21558	0.6
616.22217	0.9
617.21814	0.8
643.23822	6.2
644.24695	7.5
645.23572	1.1
657.25745	5.5
660.24646	1.4
675.26605	100.0
676.27063	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
64.19025	1.5
65.03932	2.3
67.05499	1.6
69.88018	6.9
79.05477	4.4
81.07062	1.4
82.06549	1.8
91.05469	3.6
93.07036	6.7
94.06558	11.9
95.04987	2.2
95.07341	8.5
95.08607	2.0
96.08129	17.2
97.06532	2.0
103.05512	1.6
108.08110	13.4
110.09669	21.8
120.04471	2.3
120.08099	18.8
122.06026	11.7
124.07506	1.8
136.07584	9.7
138.09116	23.9
148.07552	5.1
158.06154	1.5
160.07481	1.4
163.03944	6.1
166.08643	31.3
194.85565	1.4
211.08658	2.5
220.10120	1.4
221.10745	2.0
235.08704	4.1
236.09309	1.4
237.10181	3.7
247.08766	4.2
248.09436	2.1
249.10242	24.4
250.10907	3.8
251.08150	1.5
251.11824	4.2
261.10266	3.7
263.11838	5.8
265.09753	3.3
275.08011	2.4
277.09683	15.0
278.10541	4.5
279.11258	4.0
281.09274	1.8
289.09641	2.0
291.11267	6.1
292.12155	1.8
293.09216	1.4
294.09839	1.8
295.11020	1.3
296.11664	1.3
300.11227	1.8
303.07629	1.9
309.12253	6.6
310.13263	4.0
312.11853	1.8
313.12549	2.3
314.12854	4.0
316.10663	1.6
321.08499	1.8
323.10117	1.9
324.14932	2.9
325.12411	1.7
326.12952	3.3
326.16397	1.6
327.13824	2.9
328.10855	3.3
328.14587	4.9
330.12421	2.2
330.16132	1.5
335.10400	1.6
337.12125	2.4
338.12921	4.4
339.13806	2.3
340.14484	2.4
341.11792	2.7
342.12402	8.4
342.15964	2.5
343.13083	2.7
344.13992	3.1
352.14523	4.3
353.15463	2.5
354.12299	5.4
354.16226	3.0
355.12952	6.6
356.13904	15.0
357.14813	3.3
358.15640	3.4
359.12546	1.6
366.12274	3.3
367.13187	2.1
368.10159	2.9
368.14108	2.6
369.10660	2.3
369.14865	2.6
370.11472	3.0
370.15506	6.6
371.16464	1.8
372.13358	3.7
372.17502	2.7
380.13773	2.7
382.11383	2.1
382.15564	4.7
383.12653	2.9
384.13428	11.8
385.13889	3.1
385.18292	2.5
386.15121	3.4
387.16000	1.7
397.14120	5.2
398.14957	12.1
399.15704	5.5
400.16571	12.5
402.14420	2.3
408.13232	2.9
410.15060	2.6
412.12808	3.3
413.13461	1.8
414.18356	2.5
416.16370	3.3
418.13635	1.5
425.13785	3.0
426.14374	11.9
428.16055	7.8
442.18509	7.7
443.14218	1.8
444.15518	5.9
446.17657	1.6
454.13986	29.5
460.19412	12.3
472.15039	100.0
473.15445	5.4
474.16650	16.5
486.16486	5.1
492.17648	45.1
493.17960	1.8
504.17633	29.5
520.20422	1.9
522.18805	6.3
579.22186	2.7
589.20422	2.0
607.21912	15.9
611.24982	5.5
625.22913	28.7
629.25677	4.0
639.24390	25.1
657.25537	82.4
658.25629	4.7
664.75830	1.6
675.26068	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	5.3
61.53072	5.4
67.05500	9.7
71.58872	7.7
71.59310	8.2
83.08611	6.5
100.05549	5.8
110.89432	6.0
120.32072	5.2
128.84489	5.5
238.34723	6.2
281.79468	5.7
394.66861	5.8
399.14539	7.5
413.15869	16.6
414.16776	19.9
426.16776	7.2
427.17691	25.6
428.18472	22.3
441.19131	15.7
442.19931	22.1
443.20789	9.7
469.18591	46.2
470.18881	21.0
472.17136	10.8
473.17953	7.2
507.09525	6.7
513.17657	20.9
514.17657	16.0
525.21033	10.8
557.24017	100.0
558.24274	11.0
588.25818	37.8
615.24158	17.1
616.24762	66.0
643.23987	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84165	1.0
52.04930	1.1
53.03945	6.5
55.01868	14.2
55.05508	10.4
56.96563	1.1
57.03437	9.8
57.07079	1.2
61.02923	38.3
65.03916	2.2
66.55567	1.1
66.95021	1.1
67.05500	23.0
69.03432	17.2
69.06724	1.6
69.07066	19.3
69.38698	1.1
71.01337	2.3
71.04985	3.5
73.02917	11.1
75.69863	1.0
75.87109	1.3
79.05491	21.3
81.03416	21.4
81.07051	37.0
83.04982	6.8
83.08606	5.0
85.02900	39.5
85.06544	1.8
89.59726	1.3
91.03953	19.5
91.05476	36.6
93.07040	22.0
95.01319	5.5
95.04943	8.3
95.08603	19.6
97.02889	30.7
97.06525	18.6
97.10153	1.9
99.04459	4.5
101.02372	3.8
103.03945	2.3
103.05474	1.3
105.07026	52.0
105.38432	1.2
107.04947	14.2
107.08578	11.7
109.02884	8.1
109.06510	3.4
109.10149	4.8
111.08063	3.5
115.03948	2.2
117.07001	10.5
117.14757	1.2
119.08582	27.0
121.06487	2.6
121.10135	7.3
123.04431	2.5
123.08076	3.0
123.11681	1.9
127.03913	15.7
129.05443	2.0
129.07051	2.0
131.08557	16.5
133.10130	30.7
135.08040	3.6
135.11671	6.0
137.09587	2.8
139.07556	1.6
141.06985	1.9
143.08591	2.9
145.04948	7.4
145.06378	1.1
145.10117	13.1
147.11687	11.6
149.09615	4.0
149.13260	3.6
151.07518	1.4
151.11203	2.6
155.08548	2.4
157.10162	2.8
159.08066	1.7
159.11710	8.3
161.13252	4.2
163.03882	4.6
163.11214	3.3
165.05565	1.2
165.09108	2.1
169.10101	2.2
171.11670	2.7
172.03929	1.7
173.13261	2.9
177.12781	1.5
179.14288	10.4
183.06549	4.2
183.11716	3.6
185.13223	1.9
187.11171	2.9
195.13809	1.8
205.12343	1.2
219.13803	1.4
229.30037	1.3
239.18063	1.8
247.20589	2.2
257.18954	6.8
275.20050	100.0
276.20660	1.4
293.21118	3.9
317.14899	6.5
349.23706	41.4
367.09244	1.7
377.23163	2.8
391.24701	3.1
391.62558	1.4
457.25778	4.1
471.01263	1.3
475.26877	1.6
493.28122	10.6
511.28860	2.1
527.85919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	22.9
55.01865	16.7
55.05509	31.4
56.96582	4.0
57.03238	2.7
57.03441	29.5
57.07058	3.7
57.84290	3.2
59.42259	3.7
60.36136	3.6
61.02925	33.5
65.03918	6.1
67.05500	76.6
69.03427	76.2
69.06776	3.5
69.07071	34.5
70.06570	5.5
70.17072	17.3
71.01327	6.0
71.05000	18.9
73.02918	21.0
79.05491	69.3
81.03416	97.6
81.07057	94.6
83.04983	25.2
83.08604	22.4
85.02901	79.4
85.06532	7.7
87.04462	9.5
91.03954	14.2
91.05482	69.4
93.07045	64.0
95.04971	27.2
95.05941	3.6
95.08602	50.2
97.02888	81.7
97.06537	12.4
97.10167	14.1
99.04469	18.4
99.08082	7.7
101.02368	12.9
103.03929	13.7
103.05431	6.0
105.07037	55.1
107.04943	27.0
107.08599	49.4
109.02866	32.4
109.06506	15.9
109.10176	26.5
109.10793	5.4
111.04432	10.9
111.08069	7.9
112.78265	3.9
115.03947	4.7
115.05442	6.9
117.07034	28.5
118.04958	3.2
119.04971	3.7
119.08576	45.1
121.06501	14.1
121.10129	29.6
123.04405	9.4
123.08048	9.2
123.11721	7.2
125.09626	10.9
127.03914	51.8
128.06282	4.8
129.05455	15.1
129.06990	10.7
131.08568	35.3
133.06480	8.9
133.10126	46.6
135.04539	3.4
135.08051	13.1
135.11656	18.7
135.97525	4.6
137.02341	10.1
137.05966	7.8
137.09608	6.8
141.06967	7.0
143.08597	9.8
145.02797	4.3
145.04961	10.7
145.06473	8.1
145.10155	28.8
147.07996	7.2
147.11684	30.8
149.05991	5.4
149.09639	12.0
149.13232	24.0
151.07562	4.4
151.11102	5.5
152.38026	3.8
155.08507	8.4
157.10104	11.0
159.08038	5.0
159.11708	27.2
161.09619	7.4
161.13243	10.1
163.03906	100.0
163.05234	6.2
163.07526	7.6
163.11211	6.3
165.12822	4.7
167.03355	3.4
169.10191	8.0
171.11670	11.7
173.04486	26.5
173.11795	7.4
173.13231	12.1
175.11145	7.5
177.12753	11.2
181.04944	15.2
183.06544	15.0
183.08047	4.4
185.13266	5.5
187.11098	6.6
189.09134	4.5
189.11217	9.2
191.10599	5.1
195.13852	20.7
201.07616	9.7
203.07166	4.9
212.16473	4.3
213.12764	5.7
213.14804	5.8
217.15654	4.1
219.13763	4.5
227.12810	5.9
229.14247	8.0
229.19458	5.1
233.15359	4.7
239.18051	9.4
247.20610	4.5
256.19043	11.0
257.19269	19.2
269.17468	40.3
275.16705	6.6
275.20071	66.3
281.08105	36.3
293.21103	7.7
299.09061	10.3
303.15817	5.2
325.06998	9.5
339.17908	10.7
349.23746	55.5
367.24762	7.8
377.19534	5.8
391.24442	4.3
395.20578	13.7
410.16226	4.5
413.21823	39.3
433.25510	4.3
461.22119	4.4
478.57892	3.8
493.27713	15.6
511.28976	17.5
655.23865	4.8
673.35626	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
55.05505	3.7
67.05502	5.1
69.03426	6.4
69.07068	7.7
70.06596	2.1
71.05004	1.4
71.08614	0.9
71.19952	0.8
71.57669	1.3
73.02904	1.0
79.05495	5.2
81.03422	7.1
81.07056	8.2
82.06577	1.2
83.04990	1.6
83.08598	4.8
84.08139	2.9
85.02904	5.9
85.06521	1.2
86.06068	12.0
87.00819	1.8
87.05602	0.9
91.05480	3.1
93.07054	5.9
95.04971	1.3
95.08606	3.7
96.08115	7.6
96.35742	0.9
97.02882	2.6
97.06528	2.6
97.10152	1.6
98.06059	3.4
98.09692	1.2
99.04440	3.1
105.01853	1.1
105.07014	2.3
107.08558	5.1
108.08115	2.9
109.02875	4.1
109.06544	2.4
109.10158	2.7
110.09676	3.0
112.07589	1.6
116.10720	5.4
119.08583	1.7
120.08112	0.9
121.10159	1.8
122.09647	1.1
123.08102	1.1
123.11721	1.3
124.07594	3.3
124.11252	1.4
127.03921	4.7
133.10135	1.3
136.11205	1.9
137.06166	0.9
138.09106	1.4
140.10742	1.2
142.08632	14.4
145.10104	1.1
147.11697	1.1
149.13274	2.5
151.11188	3.3
152.10719	1.0
154.12251	2.7
159.02917	1.3
163.03920	3.3
163.07549	3.1
166.08533	1.4
166.15926	8.3
169.12257	3.1
179.03375	1.2
181.05109	1.2
194.15430	2.1
210.18532	2.8
212.16446	82.6
213.16737	1.2
238.18001	41.0
256.19067	100.0
257.17227	4.2
305.57742	0.9
310.23749	1.6
328.24738	1.6
333.44049	0.9
363.25284	2.5
406.29486	3.0
416.22598	1.3
424.30551	45.2
425.30984	1.2
460.21707	1.3
469.89767	1.0
504.24341	3.6
628.37054	7.6
672.25531	1.5
672.35736	14.6
699.68835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05515	4.1
57.03425	0.7
57.07061	1.0
65.03918	0.8
67.05493	3.0
69.03432	6.7
69.07059	7.8
70.06582	1.6
71.04967	1.1
71.08614	0.7
71.58543	1.2
72.08130	1.4
73.02898	1.5
79.05474	2.8
81.03421	7.2
81.07059	6.7
82.06591	1.0
83.08592	3.0
84.08131	1.8
85.02891	8.8
85.06536	1.4
86.06070	12.9
86.09694	1.4
87.00819	2.8
89.50736	0.7
91.05472	3.6
93.07014	4.5
95.04971	1.4
95.08603	3.9
96.08129	7.8
97.02892	5.1
97.06497	1.3
98.06041	1.9
98.09682	1.5
99.04431	4.2
105.01874	1.8
105.07010	2.4
107.04971	0.8
107.08596	3.8
108.08112	1.9
109.02868	4.4
109.06517	1.5
109.10146	2.7
110.09667	3.4
111.08070	0.9
112.07614	1.0
114.09149	1.4
116.10710	5.9
117.07016	0.8
119.08598	1.6
121.06531	0.8
121.10126	2.0
122.09691	1.2
123.08121	0.9
124.07613	3.4
124.11218	1.7
127.03885	6.9
131.08569	0.8
133.10109	0.7
133.26785	0.9
134.09573	0.9
135.11749	1.3
136.11185	1.2
142.07576	1.3
142.08629	13.5
145.04944	1.1
145.10066	1.0
147.11694	0.8
149.05905	0.8
149.13252	2.5
151.03798	0.8
151.11176	2.2
154.12288	1.9
159.02881	2.6
161.02287	1.5
161.06029	1.2
163.03905	4.1
163.07495	2.5
165.09093	1.0
166.15907	8.1
169.12233	2.9
179.03439	1.1
181.08504	0.8
194.15427	3.1
196.75987	0.7
203.07013	1.5
210.18541	2.5
212.16449	78.3
213.16849	1.1
238.18002	41.8
239.18382	0.7
246.45587	0.8
256.19064	100.0
257.17374	3.1
310.23837	0.8
345.24310	1.0
363.25391	2.0
393.47607	0.8
406.29590	2.1
416.22748	2.7
424.30576	39.1
460.21756	7.8
504.24493	3.5
586.36584	0.8
628.37012	6.8
672.35791	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30366	0.6
53.03938	3.2
55.01870	3.2
57.03424	2.5
61.02924	2.1
65.03933	1.9
67.05493	1.3
68.99767	0.6
69.03423	14.2
69.07065	0.8
70.06583	1.3
71.04977	2.0
71.58204	1.2
72.25599	0.6
73.02918	3.0
79.35268	0.5
81.03415	11.2
81.07046	1.2
85.02899	37.1
87.00821	17.0
87.04418	0.7
91.05476	100.0
92.05838	1.4
93.07041	0.9
95.05006	0.9
95.08581	1.7
97.02883	15.1
97.06537	0.6
99.04442	5.0
100.61689	0.6
105.01862	23.3
105.07036	1.4
107.04913	0.6
109.02872	13.6
109.10162	1.2
117.01866	1.3
119.08586	0.7
121.10094	0.8
127.03909	27.4
129.01840	1.6
133.10139	0.7
136.03938	0.6
137.02321	0.7
145.04965	11.9
147.02808	1.0
159.02870	4.0
167.03510	1.2
177.02756	0.7
189.03923	0.9
213.03969	2.5
231.04977	6.7
245.08136	2.1
249.06146	1.5
250.25327	0.6
273.89755	0.8
518.69073	0.7
672.25037	0.7
672.35950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
56.96298	3.5
56.96564	55.6
61.24672	1.7
67.05497	4.4
69.03429	2.1
70.98112	12.2
71.19569	4.1
74.97622	2.4
77.00875	1.7
79.05482	3.3
81.03409	3.4
81.07037	4.7
88.99149	5.5
91.05447	2.7
93.07037	3.6
95.04967	2.5
97.02919	2.0
99.04429	2.2
105.07006	3.9
107.00180	3.7
107.08600	2.8
109.02839	2.4
117.06984	2.3
119.04900	1.9
119.08636	2.4
131.04889	1.9
151.07539	2.5
163.03822	3.4
163.07570	4.8
179.03358	6.0
181.08580	3.9
193.01730	2.3
195.03236	2.1
197.01286	4.2
199.02776	5.2
205.01704	3.2
207.03328	7.0
209.01175	2.9
210.02069	3.1
210.42458	1.9
211.02774	13.6
213.04318	13.7
221.04700	2.1
223.02751	10.3
225.04347	83.5
227.02238	5.2
228.03058	2.5
229.03864	2.9
231.05428	5.9
237.04335	7.1
239.02319	2.4
239.05920	16.5
240.03136	5.0
241.03838	68.5
243.05411	94.4
247.02756	2.6
248.06026	3.9
249.04314	4.3
251.05949	5.5
253.03882	13.8
255.05396	55.7
257.06995	13.5
259.04935	20.3
261.06464	11.3
263.05991	5.2
264.05399	3.1
265.03571	2.4
266.06967	7.3
267.05389	8.2
269.07068	8.6
271.04865	6.5
273.06454	24.8
278.06909	5.3
279.05328	3.9
279.74338	1.9
281.06970	5.0
294.14026	2.0
296.07968	2.1
355.08563	8.7
367.08542	48.7
371.07928	5.2
373.09528	32.1
375.11179	7.6
383.08090	2.2
385.09592	85.8
387.11166	69.9
391.10635	10.2
393.12064	5.4
396.11179	6.3
399.11038	6.9
403.10587	6.7
405.12183	40.6
408.11316	13.2
411.11142	2.6
413.12796	3.9
428.13760	8.2
431.13898	2.6
526.81604	1.8
533.26123	2.1
535.16406	100.0
536.16656	3.0
596.14142	2.0
602.37335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05506	0.9
65.03929	0.7
66.82330	0.5
67.05494	1.6
68.99803	0.7
69.03428	0.8
69.07053	0.7
69.41810	1.0
69.42226	3.3
71.41122	0.5
77.03928	0.8
79.05492	2.5
81.03411	1.1
81.07043	1.3
85.02893	1.6
85.06541	0.5
91.04024	0.5
91.05482	1.0
93.07050	1.3
95.01322	2.0
95.04980	3.0
95.08613	1.0
97.02895	0.5
105.03381	4.8
105.07029	1.1
105.11520	0.5
107.04954	1.6
107.08588	1.1
109.02887	0.8
109.06522	0.6
109.10203	0.7
117.20858	0.4
117.55386	0.5
119.04955	1.0
119.08593	1.0
123.04428	7.5
127.03852	0.7
131.08606	0.7
133.02852	4.3
133.10071	0.5
135.04439	0.9
137.02333	0.8
143.08618	0.5
145.10135	0.6
147.04402	1.5
149.05984	0.5
150.03014	0.7
151.03908	7.2
153.06969	0.5
161.02348	53.8
161.05977	1.5
162.02733	0.9
163.03944	2.2
163.07527	1.1
167.03377	0.5
173.06030	0.7
175.03944	3.4
177.09113	0.7
179.03400	100.0
180.03708	1.1
187.07527	0.6
201.05473	1.1
201.09090	0.6
203.03400	1.9
203.10684	0.5
209.06020	0.6
213.05588	1.0
223.07542	0.6
227.03375	0.7
227.07014	4.1
229.04970	0.9
229.08594	1.6
231.02875	1.0
237.05470	1.2
241.05029	0.7
245.04443	4.1
245.08151	3.2
253.04990	1.3
255.06458	1.1
257.04440	1.9
267.06509	1.1
269.04431	1.1
271.05923	3.8
273.03848	1.0
279.06503	17.9
280.06958	0.7
281.04541	1.3
291.04892	0.7
293.04623	0.9
293.07803	0.5
295.05984	4.0
296.06818	2.1
297.03943	2.9
297.07587	12.9
311.05850	0.9
311.09152	8.9
315.08643	9.3
321.03845	1.8
321.07312	0.7
335.09210	1.3
337.10699	5.2
339.05057	2.8
339.08417	0.7
363.08557	1.3
365.10458	0.7
385.07339	0.6
401.06470	0.7
413.06479	1.3
431.07413	3.6
441.06128	1.1
447.14285	1.0
449.08884	1.2
457.12912	0.8
459.07123	10.5
473.12219	6.9
477.08206	12.5
480.66803	0.5
497.12228	1.6
501.11636	1.5
515.13367	0.5
570.36792	0.5
589.15057	0.8
607.15961	9.5
625.17297	2.9
635.15564	1.2
653.15887	0.9
656.28107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77974	2.9
55.05504	27.3
57.03440	6.4
57.07069	11.5
61.02919	29.8
67.05509	40.9
69.03414	4.8
69.07069	48.6
70.00952	18.2
71.04958	4.6
71.08633	8.8
73.00709	2.8
73.02912	7.0
79.05480	22.3
81.03414	6.2
81.07050	54.1
83.04958	3.8
83.08614	36.4
85.02908	27.3
85.10190	3.7
91.03955	22.8
91.05463	6.3
93.07025	21.5
95.04961	4.8
95.08607	40.2
97.02886	14.6
97.06527	11.5
97.10165	21.0
99.08069	4.3
105.07013	4.9
107.08568	20.8
109.06546	3.5
109.10146	20.4
111.08085	6.3
111.11705	5.7
114.19592	2.9
118.57422	2.7
119.08556	6.9
121.10144	44.2
123.11707	13.6
127.03896	9.6
135.11685	35.5
137.13242	10.9
139.11140	3.5
145.04953	12.2
149.13240	12.7
163.06020	23.4
163.14812	6.2
219.21091	45.0
235.38188	3.2
237.22125	100.0
237.24562	7.0
255.23190	32.1
311.25833	81.6
329.26849	56.1
510.17111	3.2
538.98438	3.4
670.25842	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	33.7
57.03431	7.6
57.07069	22.9
57.24846	3.0
61.02922	17.6
67.05491	15.6
69.03426	6.8
69.07067	62.3
69.07420	6.8
69.39520	11.3
69.39946	19.0
71.08629	14.7
73.02905	9.3
79.05490	9.1
81.07069	21.3
83.08615	43.9
85.02911	25.0
85.10175	12.7
91.03938	20.1
93.07037	15.8
95.08605	17.1
97.02905	11.6
97.06521	9.2
97.10174	35.1
99.08084	3.9
101.52407	3.2
107.08604	12.7
109.10162	9.9
111.08103	3.7
111.11708	10.7
121.10123	18.7
123.11707	9.6
125.13246	4.0
127.03915	9.3
135.11700	16.2
137.13266	4.7
139.11189	4.7
145.04959	6.6
149.13257	11.7
163.06000	12.8
163.14801	6.4
219.21033	22.4
237.22122	33.5
255.23206	32.8
311.25790	100.0
321.34808	3.1
329.26767	23.7
355.99063	3.2
397.27994	3.4
473.30960	7.2
474.07764	3.7
550.24774	5.7
670.29114	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.364
Annotation	Broussonetine Q
Peak:m/z	Relative Intensity
53.03934	1.8
53.93989	0.7
55.01861	1.2
55.05510	2.8
55.75368	0.6
56.05032	5.8
57.03422	2.9
58.06582	0.7
60.04527	3.4
61.02914	2.0
67.05171	1.0
67.05504	10.5
68.05017	1.9
69.03434	7.1
69.07074	3.4
69.27258	7.4
70.06596	10.1
71.04998	1.5
77.96143	0.6
79.05490	6.2
80.05009	1.8
81.03413	9.4
81.07055	11.0
82.06582	1.8
83.05000	1.2
83.08623	2.3
83.65301	0.5
84.04507	0.8
84.08166	3.0
85.02907	9.9
86.06067	1.5
86.09746	0.7
87.04482	1.3
87.59847	0.6
91.05476	4.1
93.07048	6.6
94.06577	1.6
95.04996	1.0
95.08602	10.7
96.08131	6.3
97.02894	5.1
97.10171	1.3
98.06054	0.6
99.04474	1.6
105.07025	3.2
105.70139	0.7
107.08599	3.9
109.02875	7.0
109.06521	0.9
109.10154	2.7
110.09694	2.1
117.93172	0.6
119.08591	2.7
120.08087	1.1
121.10132	2.6
122.05997	0.7
122.09655	0.7
123.11748	0.7
124.11236	3.7
127.03928	2.7
131.08578	2.0
132.72166	0.6
133.10144	2.4
135.11723	1.2
138.12798	1.1
145.04984	0.9
147.11690	0.9
149.13208	0.7
154.08687	1.5
156.32066	0.6
162.05658	0.7
163.03938	1.7
166.85385	0.6
171.11916	0.7
173.13300	1.0
175.14781	0.6
208.16873	0.7
215.07179	1.1
220.20517	3.8
222.22163	24.0
224.20081	9.4
224.22047	0.9
230.19009	0.7
243.06604	4.5
248.20096	30.5
248.23682	3.0
250.21672	3.9
266.21225	12.4
266.24817	5.1
268.22662	4.9
274.21680	3.5
284.22189	5.4
284.25342	0.9
292.22690	6.1
309.56143	0.7
310.23718	4.4
328.24808	3.2
410.25906	0.9
428.26212	4.2
446.27405	15.6
454.28122	2.1
472.29037	9.8
474.29865	0.8
490.30093	52.1
491.30563	0.8
508.31143	35.4
509.31351	0.8
517.96185	0.7
652.35455	2.5
670.36420	100.0
671.36505	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
53.07145	2.0
53.65486	1.8
55.01857	6.0
55.05499	8.9
56.65365	2.1
62.82175	1.9
67.05500	22.6
69.06720	2.6
69.07063	23.7
69.32277	19.6
69.32693	4.4
71.04971	5.4
79.05483	16.8
81.03424	13.0
81.07059	20.7
83.04961	7.8
83.08604	4.5
85.06512	3.0
91.05460	18.4
93.07037	25.2
95.04964	11.3
95.08607	19.5
97.06515	9.2
97.10139	4.1
99.04436	3.4
105.07001	15.9
107.04955	40.4
107.08598	13.6
109.06510	2.7
109.10133	4.4
111.04430	4.0
111.08049	3.9
117.07000	8.1
119.08561	13.6
120.60020	2.1
121.06472	4.1
121.10130	10.6
123.08088	3.3
128.06201	2.5
129.06993	5.8
131.08522	9.2
133.06511	4.3
133.10114	7.8
135.08026	8.1
135.11707	3.9
137.09637	4.6
139.11131	3.4
143.08545	3.2
145.10121	6.1
147.08076	3.4
147.11703	4.5
149.09599	28.7
155.08589	2.9
155.35541	2.1
157.10074	3.0
159.11682	5.8
161.09573	5.5
163.11176	4.5
171.11671	3.9
173.11693	3.1
175.11285	3.1
177.12799	4.6
179.10619	2.0
189.12677	2.5
193.12250	4.1
195.13753	4.3
240.14835	2.0
245.18965	2.3
257.19058	3.2
273.18481	17.7
275.20087	14.4
291.19525	100.0
292.19836	3.5
305.21191	4.0
309.20517	5.1
314.08340	2.0
485.32761	4.8
615.42676	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
61.72108	1.4
67.05507	1.6
69.03429	6.4
69.07070	3.6
69.32047	6.7
69.32484	7.8
81.03424	5.2
85.02915	10.6
87.04488	2.6
91.05518	1.7
94.06555	2.7
97.02895	4.8
99.04444	3.1
103.03946	4.2
105.01870	2.0
106.06557	2.9
108.08142	1.8
109.02906	4.0
115.03899	2.0
122.06008	7.9
127.03926	9.1
136.02907	1.6
136.07584	12.5
140.07045	10.6
145.04935	4.3
146.06023	4.5
148.07576	4.6
152.07120	2.0
159.02933	2.2
163.06143	2.0
164.07060	21.9
166.08627	17.2
172.03876	2.5
174.05511	4.9
176.07074	5.1
176.55937	1.7
190.04997	1.7
204.06552	4.7
210.11606	1.8
211.12192	1.6
219.10129	5.6
223.12263	1.9
235.08688	2.8
235.12321	3.9
237.10257	6.3
237.13863	3.2
238.11057	4.4
239.11908	7.6
243.11145	1.8
248.09496	4.6
249.10222	7.2
250.10994	3.7
251.11792	12.2
252.12418	1.7
263.11786	16.5
264.08661	1.8
264.12503	5.2
265.09830	5.8
265.13364	28.5
266.14008	1.8
267.11365	3.2
269.12753	1.7
277.09695	6.6
277.12625	1.3
279.11243	42.9
280.11899	3.4
281.12851	1.4
283.14413	2.1
287.05478	50.9
287.13855	6.0
288.05817	3.4
291.11279	6.3
293.12762	8.6
295.10803	5.0
297.12289	20.1
298.13187	2.4
299.13977	1.9
309.12317	49.9
310.13052	18.3
311.10275	2.2
311.13840	25.4
312.14679	3.6
313.11749	4.2
314.12381	1.9
315.13351	1.9
319.10712	8.2
321.12247	2.9
325.11612	2.6
331.13031	1.5
337.11807	100.0
338.12546	25.8
339.13400	19.1
355.12912	1.7
357.14331	1.8
369.14514	21.4
370.15210	5.6
371.16058	12.2
398.14774	1.6
400.16470	2.7
401.13364	4.1
441.98059	1.5
452.21817	43.4
458.17059	4.2
460.20114	1.8
476.18060	3.3
478.19748	48.3
494.18823	6.2
496.20953	9.2
510.22333	36.3
560.25885	1.8
575.25464	3.4
599.25153	7.8
617.25989	7.8
635.27283	17.1
667.29327	3.0
698.42578	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52445	1.1
51.87978	1.1
62.01381	1.2
67.05487	1.9
69.03416	2.3
69.07070	2.3
69.53432	2.1
69.53833	8.8
70.06572	2.5
75.54655	1.3
79.05495	2.0
80.05045	1.4
81.03413	2.4
81.07011	1.8
81.34142	1.2
82.06602	1.8
85.02913	4.9
89.59757	1.1
91.05455	1.8
94.06582	3.4
95.04968	1.7
95.08627	1.3
105.01867	1.6
106.06577	2.6
107.04974	2.3
108.08126	2.5
109.02854	1.8
110.06051	1.6
119.08575	1.5
120.08139	1.9
122.06012	9.8
124.07560	2.4
127.03918	2.6
133.10120	1.6
134.05997	1.7
136.07561	18.6
137.05931	1.3
138.62685	1.3
140.07076	18.2
145.04874	1.5
146.06012	5.5
148.07552	10.7
152.07042	4.4
162.09061	2.3
163.03947	1.5
164.07059	42.5
166.08626	21.0
167.07089	1.8
172.03911	1.9
172.99185	1.2
174.05486	7.1
176.07066	13.6
180.10211	1.8
190.04980	3.3
191.21677	1.3
192.06583	2.4
204.06535	2.7
208.09753	2.6
209.10785	1.5
210.11557	3.9
211.12332	2.1
213.10120	1.7
215.85648	1.3
219.10158	1.5
223.12270	4.6
224.13185	2.0
225.10204	2.6
225.13814	1.5
227.11783	1.8
235.12357	2.4
236.13158	1.7
237.10214	7.4
237.13922	2.4
238.10983	12.4
239.11778	13.0
243.11584	1.4
249.10318	4.1
250.11086	4.7
251.11790	11.4
252.12604	3.5
253.13446	5.0
261.12369	2.7
263.11780	12.2
264.09116	1.4
264.12555	2.5
265.09821	4.4
265.13379	22.3
266.14203	2.5
267.11276	2.2
269.12756	3.1
271.14557	2.6
275.11838	1.7
277.09674	3.5
277.13269	2.4
278.10522	4.4
279.11261	71.2
280.11963	5.4
281.12881	3.1
283.10916	1.9
283.14481	3.4
285.12427	3.2
287.05478	13.5
287.13910	10.2
291.11276	4.2
293.12842	8.2
295.10846	5.9
295.14508	2.4
296.11603	3.5
297.12326	36.0
298.13120	4.6
305.15005	2.7
309.08807	1.7
309.12329	29.3
310.13068	15.7
311.13882	53.9
312.14728	9.3
313.11789	8.5
313.15457	6.0
319.10748	6.3
321.12286	5.5
323.10254	1.4
325.11594	1.9
331.12845	3.8
337.11789	69.9
338.12555	18.3
339.13376	40.4
340.13968	1.7
345.14529	2.0
355.13028	1.8
357.14352	2.2
369.14383	9.5
370.15149	2.8
371.16171	10.8
374.14856	2.1
398.15091	2.5
399.15549	2.9
400.16550	4.7
401.13452	4.9
416.15881	3.6
417.16904	1.9
418.17453	2.2
434.16788	2.9
450.20166	2.7
452.21805	100.0
453.21646	3.0
458.16998	5.3
459.17743	1.8
460.20276	4.6
476.18134	10.5
478.19717	34.3
480.21243	3.0
494.19193	10.2
495.19849	3.3
496.20526	7.3
510.22302	18.1
573.27472	1.4
575.24597	4.0
591.28210	1.4
599.24902	9.4
617.25659	13.4
635.17224	2.5
635.27026	36.3
667.29382	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
67.05514	0.7
69.03412	0.9
69.07081	0.5
71.31569	1.1
79.05488	3.0
81.03431	0.9
81.07064	0.7
85.02917	1.2
91.05481	1.7
95.04961	0.9
95.08625	0.7
103.05465	3.0
105.07033	10.6
105.07674	0.4
106.07270	0.5
107.08611	0.9
109.02891	0.6
115.05451	0.8
116.46130	0.4
119.08599	0.7
123.08121	0.7
127.03865	0.8
131.04903	1.2
131.08575	0.9
133.06468	1.4
135.04390	1.0
135.08037	0.8
137.05983	0.6
147.88248	0.5
149.05980	1.5
161.06003	1.2
163.07536	100.0
164.07874	1.7
165.09109	0.7
171.07965	0.7
174.06688	0.8
179.07014	0.9
180.84151	0.5
181.08586	93.3
182.08914	1.7
187.07481	0.6
189.09076	7.2
190.09741	0.6
195.11636	0.5
199.37148	0.5
201.09084	0.5
203.10643	2.2
207.10159	2.0
215.10654	1.4
365.17459	4.6
368.13815	0.5
383.18546	5.9
411.12805	0.6
429.13947	5.0
626.89783	0.7
661.01202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66757	2.4
69.03431	4.4
69.07077	9.0
70.06599	4.1
70.88517	8.7
79.05483	4.7
81.03410	6.0
85.02927	6.2
91.05518	4.1
94.06551	4.5
95.08621	3.5
97.02917	3.5
103.27610	3.1
105.07028	3.0
107.04948	3.5
108.53062	2.8
120.08083	3.0
120.26707	2.4
122.06031	21.3
127.03905	2.6
131.08473	3.6
133.10146	2.9
136.49202	2.5
137.05983	10.0
140.07057	34.9
144.04420	4.6
146.06033	14.1
147.11684	2.9
159.08130	2.5
162.05479	4.8
162.09023	4.2
163.82961	2.5
166.08632	3.1
167.07008	15.7
168.24501	3.0
172.03934	24.9
173.06085	5.3
173.07536	2.8
174.05530	14.7
175.07454	4.0
176.07071	9.0
181.04962	9.1
183.67706	2.7
190.04991	3.6
191.14400	2.3
203.06927	2.9
204.06500	41.5
205.08630	5.0
206.08133	16.8
213.10219	3.3
215.11925	4.6
225.10332	3.3
239.11777	3.9
243.11336	17.1
255.11438	3.8
259.10779	5.4
261.12314	4.8
262.76889	2.9
263.11801	6.4
265.09842	3.5
277.09714	4.0
279.11185	4.8
280.11926	2.8
283.10721	5.8
285.12384	16.6
287.10385	6.0
287.13754	3.1
299.10245	3.3
301.83798	2.6
303.13431	36.9
309.12387	4.4
313.11798	18.9
321.14288	5.7
323.13556	3.6
330.12589	6.0
331.13058	7.4
343.13071	4.1
344.13910	2.9
345.14487	25.3
346.15457	6.0
347.16409	5.2
358.15652	3.2
360.17114	3.8
369.14343	3.8
372.13339	10.1
374.14941	4.0
386.14941	10.3
387.15323	9.0
388.16541	6.9
401.17047	3.3
404.16138	6.2
406.17697	6.5
414.14603	7.9
415.15271	19.9
416.16071	19.6
417.15390	8.2
430.17862	5.3
432.15216	4.1
433.16339	6.6
434.16690	5.3
446.17139	4.5
456.16098	3.8
474.16660	33.1
475.16852	15.9
476.18109	10.2
506.18851	5.1
507.19910	4.4
508.20779	18.7
571.25781	3.8
573.23834	4.8
597.23035	9.0
615.24469	100.0
633.25214	6.6
647.26746	10.9
665.27167	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
62.79386	0.6
69.03409	0.7
69.07066	1.2
70.06589	0.9
79.05505	0.6
79.82815	0.6
81.03436	0.7
81.07060	1.1
85.02896	1.3
91.05457	0.8
94.06573	1.3
94.20388	0.5
98.20715	1.1
107.04923	0.6
108.04491	0.8
119.04961	0.6
119.08610	0.6
120.08075	0.7
122.06004	2.8
124.07578	2.4
137.05939	0.7
138.05479	0.7
140.07086	2.5
146.05977	1.9
148.07597	0.8
154.04999	0.7
160.07602	1.3
162.05507	1.0
166.08640	0.9
167.06998	0.8
172.03954	1.1
172.07568	0.8
174.05502	1.0
181.05014	0.6
186.09117	0.8
190.05032	0.7
199.08643	1.1
203.11681	0.7
204.06615	1.9
206.08162	1.0
208.09833	0.9
210.11481	0.9
211.08743	1.7
213.10226	3.0
214.08656	1.7
221.10692	0.8
223.08679	1.4
223.12370	1.2
225.10229	1.8
227.08150	1.3
227.11761	1.2
229.09676	0.8
231.11394	0.7
235.08719	1.3
237.10205	2.9
239.11736	1.5
241.09761	1.1
242.08049	0.7
243.11336	1.4
248.09550	1.6
249.10199	9.3
250.11087	4.5
251.08221	3.0
251.11790	8.1
252.12469	1.4
253.09776	0.8
253.13394	1.8
259.10764	8.1
261.10150	1.4
261.12506	0.7
262.10956	1.2
263.11804	6.2
264.08853	1.0
264.12549	1.4
265.09738	1.6
265.13293	2.9
266.14319	0.9
267.11224	0.8
271.10895	0.8
273.12390	1.9
277.09677	1.7
277.13278	0.8
278.10471	1.3
279.11148	3.0
281.09357	0.8
281.12845	1.0
283.10587	3.4
285.12357	2.0
287.10547	0.7
289.13254	0.7
290.14117	0.6
291.11301	2.2
293.12772	1.2
295.10693	1.4
296.11636	0.9
297.12384	2.8
301.11661	6.0
302.13168	1.0
303.13751	0.8
305.12491	0.8
309.12335	4.9
310.13251	0.9
311.14093	3.0
313.11951	2.0
315.14258	0.7
316.11020	1.1
316.14514	0.9
317.12613	0.9
319.12915	9.1
320.13843	1.0
321.12222	1.0
323.09937	0.9
323.13528	0.7
324.11127	0.9
327.14490	0.7
328.14651	1.8
329.11792	0.8
330.12512	3.3
330.16055	1.1
331.13083	0.9
335.13058	0.6
339.13651	1.1
342.12534	1.8
342.16330	0.7
343.13492	0.9
344.14001	2.5
345.14673	2.1
346.15659	1.0
351.13049	0.7
354.16302	0.7
355.14059	1.4
355.65231	0.6
356.14194	3.4
357.15271	1.3
358.15619	2.8
362.14972	1.0
369.14639	5.0
370.11472	0.7
370.15750	1.6
371.16473	1.2
372.13293	1.4
372.17273	1.1
372.45575	0.7
373.14871	1.4
374.14746	1.2
374.18967	0.9
382.15619	2.0
383.13531	1.8
384.17484	1.2
385.14792	0.9
386.15015	2.4
387.15683	2.0
388.16458	1.8
399.16534	0.7
400.16617	7.4
401.14206	1.3
402.13925	1.2
402.18314	1.7
403.16348	2.5
404.16263	1.2
410.14948	0.7
414.14590	1.4
415.15417	0.8
416.16095	1.0
418.17636	2.7
419.16202	1.0
428.16193	3.4
429.15820	0.8
430.17831	2.9
432.15668	1.1
434.17307	1.0
446.17126	14.7
447.17957	4.1
448.18683	3.4
456.15347	2.5
457.15805	0.9
458.17413	1.1
464.18176	9.4
465.18765	1.0
474.16660	8.3
475.16898	1.5
476.18198	1.3
489.18936	1.1
490.19839	1.3
492.17709	8.1
506.19186	9.0
507.18469	1.1
508.20908	4.5
510.21722	0.7
524.20288	100.0
525.20563	5.0
569.23926	0.9
587.25037	7.2
597.23474	1.8
605.26099	3.3
615.24414	6.3
629.26196	1.0
633.25372	7.4
665.28265	9.2
683.42822	0.7
686.74982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21223	2.6
53.03934	3.3
55.01865	3.3
55.05507	5.5
62.24220	2.5
67.05496	7.6
69.03429	3.2
69.07061	23.3
79.05476	7.4
81.03405	5.1
81.07050	12.1
83.04966	4.1
84.08105	3.3
85.02901	7.4
87.37805	2.5
91.05460	6.1
93.07043	4.5
94.06548	4.8
95.04936	6.7
95.08590	10.9
97.02882	3.4
97.06565	3.5
100.07603	3.0
105.07021	5.8
107.08617	3.3
108.08087	4.1
109.02854	2.7
109.06499	2.7
109.10194	2.8
111.08073	2.8
117.06998	4.8
119.08564	4.5
120.08076	3.1
121.06538	3.4
122.06061	12.7
123.04439	5.1
124.07597	10.0
125.05981	3.3
127.03860	2.6
133.10068	3.0
135.11618	3.6
136.07590	5.4
137.05971	5.7
140.07048	33.6
145.06413	4.6
146.06003	13.1
148.07550	5.1
152.06978	3.5
154.04985	4.5
160.07561	4.4
162.09203	7.4
163.03841	10.1
165.04417	3.1
167.07051	51.8
172.03966	7.3
173.05946	8.7
174.05507	9.9
175.08884	3.3
176.07019	5.2
180.10152	5.8
181.04970	12.3
186.09177	3.7
190.08650	3.6
193.08830	2.9
197.10721	3.0
199.08739	3.7
201.10432	2.8
202.10826	3.7
203.06938	3.3
203.11774	4.4
204.06549	10.3
206.08179	5.0
208.09683	11.1
211.08557	4.7
213.10211	4.6
214.08661	4.9
215.08189	3.7
215.11685	4.2
216.10133	3.3
224.09357	2.8
225.10303	3.7
227.08113	4.3
227.11687	4.1
231.11330	6.3
233.08141	5.5
237.10265	4.2
239.11662	4.9
240.10246	4.4
241.09653	6.9
243.11217	11.7
244.09770	3.2
249.10254	6.4
250.10970	3.5
251.11835	9.1
253.09715	3.1
255.11189	5.4
259.10718	52.8
260.11176	2.8
261.12326	6.0
263.11700	8.9
267.19345	3.4
269.09280	2.8
269.13065	3.9
271.10529	4.5
273.12466	7.0
283.10770	10.3
285.12448	23.4
287.10269	10.0
287.13696	4.0
295.10696	4.4
297.12283	5.0
300.12335	4.7
301.11798	48.0
303.13403	26.3
309.12228	2.7
311.13873	3.9
313.11792	26.4
319.12830	60.0
323.10037	4.2
329.11401	4.0
329.15219	3.4
331.12943	7.0
335.12396	4.0
337.13809	9.6
345.14508	9.1
367.91763	3.3
369.14325	3.3
371.12186	3.3
374.15021	3.6
386.14713	4.8
387.14764	6.2
388.16522	3.8
404.15836	3.7
414.14178	5.2
415.15390	6.7
416.16125	7.5
417.15378	11.1
418.17261	4.1
428.15616	4.4
430.17606	3.6
434.17102	7.4
446.17181	13.7
457.16519	3.5
458.19318	3.2
464.18082	5.3
474.16437	12.4
476.18039	7.2
492.17737	4.3
506.19208	9.2
508.20624	3.4
524.20306	64.6
542.21069	4.8
573.23224	7.2
587.24854	7.7
597.23187	10.1
615.24432	100.0
629.25482	4.6
633.25031	8.8
647.26758	4.6
665.23352	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09418	2.4
58.69498	2.3
62.25564	2.6
63.90548	2.2
68.11053	2.4
69.07060	10.4
71.12964	8.0
84.08168	3.6
85.02955	3.5
87.40776	2.7
90.33454	2.5
90.72591	2.4
94.06558	3.0
95.04973	2.8
99.04415	3.1
103.83883	2.5
108.08070	3.5
109.02914	3.0
117.06953	2.9
122.06013	19.9
123.04446	4.0
123.46632	2.8
124.07597	9.3
137.06026	4.9
140.07071	38.9
144.04465	4.3
146.06001	17.4
147.04410	3.9
161.02321	4.2
162.09146	2.5
163.04012	4.7
167.03397	4.8
167.07121	3.7
172.03989	15.4
174.05458	16.1
176.07100	8.4
177.26535	3.0
185.05940	3.7
186.09151	2.9
190.04994	4.2
191.05721	3.3
192.27705	2.8
201.10255	3.1
202.10959	2.9
203.07011	70.8
203.11780	2.9
204.06532	34.0
206.08127	13.8
213.10245	5.2
214.08635	4.8
215.11780	4.9
223.08829	2.7
225.10193	4.4
227.11688	3.2
229.09821	3.2
237.10327	4.5
241.09669	5.1
243.11258	14.3
255.11353	5.0
259.10733	33.3
263.11798	2.8
269.09152	3.8
269.13004	3.4
273.12311	5.2
274.13559	3.3
277.09650	2.9
283.10760	10.7
285.12363	21.0
287.10284	7.7
287.13544	3.2
298.13135	2.8
299.10260	3.7
300.12427	3.1
301.11749	27.3
303.13373	35.9
311.13879	3.5
313.11771	34.7
318.16150	3.7
319.12875	28.4
321.14539	3.5
323.12851	38.4
324.13361	4.2
330.12320	3.4
331.12949	8.7
337.13989	4.2
344.14133	6.5
345.14554	27.2
346.15515	6.7
347.16263	4.9
358.15674	4.1
360.17133	3.7
372.13391	6.0
374.15002	5.4
376.16302	3.1
386.15021	10.7
387.15649	11.5
388.16534	8.5
400.12408	3.4
400.17050	4.0
404.15915	5.3
406.17484	7.9
414.14349	8.3
415.15265	19.8
416.16098	24.8
428.15976	6.4
430.17642	5.3
432.14859	3.4
433.17084	4.0
434.16986	5.3
435.16910	2.8
446.17072	10.6
447.17957	5.4
456.15500	4.5
474.16507	36.2
475.17230	16.3
476.18137	6.6
485.18338	7.1
492.17865	4.3
503.18100	3.8
506.19485	22.0
507.18964	2.9
508.20517	5.1
524.20453	21.9
573.23108	4.6
597.23383	8.0
615.24426	100.0
616.24951	8.2
647.26794	9.1
665.23029	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
57.03417	0.5
65.03923	0.6
67.05503	1.0
69.03409	0.8
69.07044	1.9
70.06559	0.6
70.11264	1.8
76.62968	0.4
79.05479	1.0
81.07029	1.0
83.08561	0.4
85.02891	2.1
91.05451	2.0
93.07024	1.0
93.40432	0.4
94.06545	0.8
95.01337	0.6
95.04893	0.6
95.08582	0.6
97.02887	0.6
97.06529	0.5
100.07616	0.5
105.07011	1.0
107.04928	1.1
107.08542	0.7
108.04507	0.6
109.02909	0.6
109.06500	1.0
117.07037	0.5
119.04922	1.8
119.08556	1.3
121.02822	0.4
122.06027	1.3
123.04450	0.8
124.07578	2.1
127.03903	0.6
129.07014	1.5
131.08524	0.6
133.06511	0.6
133.10124	0.4
135.04466	0.5
136.07549	0.6
137.06023	0.9
138.05495	0.5
140.07051	2.3
144.04533	0.6
145.06517	0.6
146.05975	1.4
147.04408	6.7
147.08031	3.8
149.02344	2.0
151.03893	1.4
152.07103	0.6
154.05008	3.3
157.06442	0.9
158.06003	0.8
159.11659	0.5
160.07526	1.6
161.02341	9.7
161.05971	3.2
162.09096	0.6
163.03874	2.6
167.03404	5.2
167.07054	6.4
169.06445	0.4
172.04016	1.2
173.05951	1.1
174.05452	0.7
174.09097	0.4
175.03883	1.1
175.07523	1.9
176.07077	0.5
180.10205	0.7
181.04919	1.5
185.05963	3.5
186.09151	1.1
188.04794	0.5
189.09050	3.4
190.09399	1.6
191.09608	0.4
196.90683	0.4
202.08662	0.6
202.10992	0.5
203.07024	100.0
204.06752	1.3
206.08272	0.8
208.09712	2.3
210.09061	0.5
213.10201	0.9
214.08643	2.1
215.08197	0.6
218.08078	3.3
221.08006	2.2
226.08490	0.5
228.10161	0.5
231.11194	1.1
233.08026	0.5
241.09743	0.6
243.11208	1.1
245.09073	0.5
249.10262	0.7
250.10710	2.7
255.11290	1.2
259.10782	12.0
259.13510	0.6
261.12268	0.5
263.11450	0.5
264.08633	0.6
273.12360	1.3
279.11029	0.7
283.10754	1.2
285.12317	1.2
287.10461	0.6
290.09207	0.5
293.09055	0.6
297.12292	0.6
301.11813	8.5
302.12616	0.5
303.04831	0.5
303.13330	1.1
305.11572	0.7
310.13104	0.5
312.67383	0.5
313.11780	1.2
315.13580	0.6
319.09396	0.8
319.12885	11.8
323.12766	72.7
324.13110	1.5
331.12573	0.4
337.14417	2.4
341.14102	1.6
345.13934	0.7
353.11224	1.8
355.12808	1.5
355.16760	0.5
356.13312	0.6
358.15088	0.5
381.28384	0.6
385.14120	2.4
387.14828	1.0
400.16409	0.7
415.14828	0.6
416.15714	0.7
417.15350	2.6
430.17004	0.6
446.16815	0.8
448.18539	0.6
461.18768	0.6
462.19403	0.5
473.15881	0.8
474.16156	2.5
475.16452	2.1
476.17978	4.5
478.18768	0.7
485.18054	17.0
492.17651	0.7
494.18823	1.3
505.18542	0.6
506.18936	2.7
507.19116	3.6
508.20380	2.2
524.20422	2.4
525.19373	0.6
597.22968	1.0
615.24213	6.6
633.26068	0.5
642.40936	0.5
647.25500	1.4
665.27887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2431
Annotation	Flavaprenin 7,4'-diglucoside
Peak:m/z	Relative Intensity
53.00307	0.3
61.36993	0.2
65.03919	0.9
67.05495	0.2
69.03415	0.5
69.07061	1.3
69.98465	0.3
69.98890	0.8
79.05483	0.3
81.03419	0.3
81.07037	0.5
83.04971	0.2
85.02908	0.9
86.09611	0.2
91.05500	0.2
93.03403	0.8
93.07044	0.4
95.01289	0.2
95.04950	0.3
95.08582	0.3
97.02894	0.4
97.06503	0.3
98.20717	0.2
107.04948	0.3
107.08615	0.3
109.02880	0.2
109.06490	0.4
109.10074	0.2
119.08606	0.3
120.97897	0.2
121.02869	0.8
121.10108	0.2
122.06046	0.4
123.04446	0.2
127.03873	0.5
127.85034	0.2
131.01303	1.3
135.04390	0.2
137.02318	0.6
137.05981	0.6
140.07051	0.9
149.02325	19.0
150.02701	0.2
151.03914	0.2
154.04947	0.5
161.05930	0.3
162.09178	0.3
163.03900	0.6
165.05461	0.3
165.06961	0.4
167.03391	53.2
168.03757	0.3
169.06493	0.2
171.04453	0.3
173.05904	0.2
178.08672	0.2
197.05951	0.4
205.08586	100.0
206.09047	1.0
208.09746	0.2
211.07565	0.7
213.05460	1.5
213.10141	0.2
216.10143	0.2
218.08240	0.2
228.59258	0.2
237.10094	0.2
239.06950	1.1
243.06473	0.2
243.11189	0.4
249.10075	0.3
250.10928	0.3
251.11845	0.4
255.06577	0.3
259.10736	0.3
261.12363	0.3
267.06497	55.4
268.06790	0.8
279.11307	0.2
283.10916	0.3
285.07507	2.7
285.12286	0.4
287.10312	0.3
293.09195	0.2
297.12283	0.3
299.12744	0.2
303.13654	0.2
311.10123	0.2
313.03625	0.2
313.11816	0.2
323.12762	5.6
323.20749	0.2
341.13818	15.9
344.13898	0.3
353.11346	0.3
367.13791	0.5
399.10794	0.6
412.16064	0.2
417.11667	0.7
418.17181	0.2
429.11731	1.6
430.17377	0.3
434.17041	0.3
446.17001	0.6
447.12427	0.3
447.18002	0.3
448.18707	0.6
474.16318	0.3
476.18088	0.5
485.17899	0.9
492.17642	0.7
503.19086	5.5
508.20715	0.5
524.20325	1.3
565.33105	0.2
569.23663	0.6
571.25061	0.2
587.24963	2.2
605.25470	0.6
615.24585	1.2
629.25909	0.4
633.25720	1.3
647.26190	0.3
665.28314	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45399	0.3
55.05498	0.3
59.90990	0.3
65.03938	1.0
67.05497	1.2
69.03413	1.3
69.07061	1.9
70.06567	0.3
70.94523	0.7
70.94881	0.4
79.05472	0.7
80.81979	0.3
81.03407	0.7
81.07035	1.1
85.02898	1.8
85.06501	0.3
86.09695	0.4
87.00784	0.4
91.05463	0.7
93.03407	0.7
93.07029	0.8
94.92702	0.3
95.04953	0.7
95.08600	1.2
97.02907	0.5
97.06505	0.4
99.04540	0.3
105.07041	0.8
107.04910	0.3
107.08617	0.8
107.96123	0.3
108.08112	0.4
109.02897	0.6
109.06539	0.5
109.10165	0.8
111.08125	0.3
119.08496	0.4
121.02839	0.8
121.10145	0.5
122.06013	0.6
123.04368	0.5
127.03936	0.7
130.06523	0.5
131.01271	0.7
133.10118	0.4
136.07561	0.6
137.02348	0.5
137.05957	0.7
140.07053	1.4
144.28435	0.4
145.10097	0.6
147.04425	0.5
148.07607	0.4
149.02330	15.9
149.05899	0.3
149.13213	0.3
151.03964	0.4
153.66428	0.3
154.04944	0.8
161.05949	0.4
162.05516	0.5
163.03885	1.4
163.07518	0.8
164.07092	0.3
166.08609	0.4
167.03398	50.8
174.09097	0.4
175.11238	0.3
178.04985	0.4
181.08592	0.3
192.10205	0.4
205.08594	100.0
206.08887	0.5
207.11816	0.3
208.09726	0.6
210.07533	0.5
211.07535	0.6
213.05363	1.5
216.10272	0.7
218.08160	0.5
225.10231	0.6
237.10320	0.4
239.07109	1.0
239.11858	0.4
243.11314	0.5
250.10896	0.7
251.11777	0.8
253.09769	0.4
259.10806	0.6
261.12357	0.4
263.11618	0.4
264.12442	0.4
265.09756	0.4
267.06516	50.8
279.11526	0.3
283.10904	0.5
284.11417	0.3
285.07526	2.4
285.12302	0.4
287.10379	0.3
287.13690	0.3
293.09048	0.4
295.10449	0.5
296.11267	0.3
297.12250	0.7
301.11676	0.3
309.12292	0.5
310.12576	0.4
311.81851	0.4
313.03452	0.7
313.11929	0.7
323.12817	5.0
328.14023	0.4
331.13074	0.4
341.13831	15.5
354.11978	0.3
355.08469	0.7
358.15036	0.3
360.17056	0.4
367.04755	0.4
367.13635	0.9
369.14120	0.7
370.14807	0.8
374.14804	0.4
384.17325	0.4
385.13956	0.6
386.14658	0.5
387.15726	0.5
399.10672	1.4
400.16336	0.5
402.17834	0.5
417.11279	1.8
418.17673	0.4
429.11868	1.9
430.17612	0.3
446.16837	1.0
448.18665	1.1
458.16727	0.4
464.18097	0.5
474.16272	0.6
476.18100	0.4
485.17758	0.9
490.19550	0.5
492.17374	1.0
494.19540	0.6
503.19025	6.2
506.19263	0.7
508.20624	0.9
510.20972	0.6
511.21805	0.5
524.20520	2.7
569.23920	0.8
587.24908	3.0
597.23352	0.9
605.26563	0.6
615.24432	2.8
629.25800	0.5
633.25470	2.6
647.26813	0.4
665.27362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01864	1.0
55.05482	0.6
56.51627	0.5
57.03419	0.5
65.03930	1.1
66.04685	0.5
67.05494	1.2
69.00575	0.5
69.03426	3.5
69.58952	0.5
70.06570	0.8
71.32159	0.8
71.32478	0.6
78.04697	2.1
79.05486	1.8
81.03422	2.9
81.07033	1.5
85.02895	5.1
87.00807	0.6
90.60111	0.6
91.05481	1.2
93.03339	0.6
95.04968	1.1
95.08635	0.5
97.02890	1.9
97.06525	0.7
97.34922	0.6
99.04450	1.2
103.05423	0.7
106.04164	1.2
107.04946	1.9
109.02856	2.1
109.06490	0.6
109.10087	0.6
110.03642	1.2
115.05470	2.8
117.07011	5.8
118.09332	0.6
121.10147	0.6
122.06006	0.7
123.04427	5.9
124.05190	2.3
127.03897	2.4
137.06001	1.0
138.03108	0.6
142.02583	1.2
143.05051	0.5
145.04936	0.6
145.05136	0.7
145.06474	10.3
147.04482	0.6
151.03889	1.5
152.04662	1.7
155.05992	2.9
156.05623	0.5
161.05959	0.7
166.08665	0.8
167.07028	100.0
168.07391	1.7
171.06474	1.5
173.05984	17.6
175.07587	1.2
181.04939	25.0
187.05986	0.7
201.05458	1.1
203.06981	1.3
204.06396	0.5
205.08597	4.8
207.06593	0.9
217.08659	1.4
231.10124	0.9
233.08052	4.8
235.09607	4.5
241.09676	0.6
245.08086	0.8
259.10150	0.5
263.09222	1.1
277.10788	0.7
279.11069	0.5
285.12161	0.5
287.09283	0.7
301.11755	0.6
307.09369	0.7
309.12274	0.5
313.11703	0.7
319.12732	0.7
321.14514	0.7
337.10818	0.7
367.11755	1.8
369.13458	1.2
383.14905	0.7
384.96252	0.6
387.14349	11.2
395.14832	1.4
399.14340	4.1
411.14389	0.9
417.15414	23.1
418.15851	1.5
423.14676	0.7
441.15353	0.7
448.18665	1.2
449.14508	0.6
450.20068	1.2
459.16214	1.0
476.18069	2.3
508.20599	1.0
615.24176	1.6
621.21198	1.4
633.24988	0.7
665.20496	14.3
665.31085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03928	1.1
55.01855	0.9
56.12073	0.3
57.03425	0.5
60.31418	0.4
61.02922	0.4
65.03951	1.6
66.04691	0.5
67.05492	1.1
69.03426	2.9
70.06557	0.4
71.03102	0.9
71.04964	0.4
73.02905	0.6
78.04700	2.0
79.05486	1.6
81.03413	3.1
81.07060	0.5
82.04185	0.4
85.02437	0.4
85.02902	4.8
87.00809	0.8
88.15163	0.3
91.05466	1.1
93.03431	0.5
95.04955	1.1
96.05745	0.4
97.02908	1.8
97.06514	0.4
99.04456	1.1
103.03924	0.4
103.05443	1.2
105.01832	0.5
106.02314	0.3
106.04154	1.2
107.04963	2.1
109.02883	2.2
110.03658	0.7
111.04420	0.9
115.05453	3.0
117.07006	6.0
121.06480	0.4
123.04433	5.6
124.05215	2.5
125.06000	0.5
127.03940	3.1
127.05424	0.8
129.06961	0.4
131.04979	0.3
133.06450	0.4
134.03590	0.6
137.05972	1.1
140.07030	0.4
142.02641	0.5
143.04886	0.9
144.05675	0.6
145.06474	10.8
147.08022	0.8
150.66682	0.3
151.03882	0.8
151.07558	0.5
152.04654	2.0
152.85654	0.3
153.05502	0.4
155.06012	3.1
159.02902	0.4
161.06012	0.9
164.58327	0.3
167.07037	100.0
168.07404	1.7
171.06564	1.6
173.05988	18.9
175.07553	0.9
181.04956	24.7
187.05984	0.8
187.07564	0.5
191.06969	0.7
201.05513	0.6
203.06950	0.4
205.06804	0.5
205.08621	5.0
206.08246	0.3
207.06554	0.7
208.23279	0.4
217.08632	1.1
217.80424	0.3
221.08063	0.4
233.08069	5.5
235.09685	3.9
245.08078	0.6
247.09680	0.7
259.09641	0.6
263.09137	0.9
275.09097	0.6
277.10742	1.0
279.10486	0.3
287.09100	0.7
303.13120	0.3
305.10403	0.4
307.09598	0.4
339.12360	0.4
349.10654	0.5
351.12009	0.5
367.12021	1.5
369.13419	1.1
374.97778	0.8
381.13382	0.5
383.15143	0.7
387.14392	12.0
392.98862	0.5
395.14975	1.3
399.14316	2.8
407.35275	0.4
411.14389	1.1
415.14880	0.6
417.15421	19.5
418.15662	0.7
423.14014	0.5
429.15088	0.4
441.15497	0.7
459.16556	1.1
485.22751	0.3
503.23761	0.4
519.02277	0.5
579.20624	0.9
615.24530	0.9
621.22046	1.6
665.20654	15.6
666.21198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92398	10.5
55.01868	18.1
55.05501	33.8
67.05504	86.5
69.07065	58.4
69.49874	100.0
73.72453	9.4
77.44330	9.7
79.05488	94.6
81.03401	38.2
81.07048	59.6
83.04987	17.1
91.05480	80.4
93.07047	91.3
95.04955	43.9
95.08618	55.5
97.06522	19.4
97.10153	15.5
98.20765	18.4
100.60045	10.7
105.07026	54.7
107.04932	51.6
107.08566	61.4
109.06493	12.6
109.10140	44.8
117.07001	31.7
119.08557	43.4
119.09364	11.3
121.06491	16.8
121.10133	30.2
123.04444	16.1
123.08077	25.7
129.07034	22.3
131.08559	33.5
133.10155	20.5
135.08047	39.5
135.11606	14.1
143.08549	23.7
145.10107	20.1
147.04401	15.0
149.02353	17.6
149.09636	49.2
159.04382	11.9
159.11642	13.0
161.02278	12.0
161.05992	14.2
161.09602	33.3
163.03911	74.2
164.92650	10.9
167.03365	10.7
175.11198	24.2
179.07014	14.1
187.03896	26.2
187.11224	12.8
188.81227	10.1
199.03918	21.7
201.05489	15.6
203.06985	14.5
221.07906	18.3
223.13297	11.5
229.16026	12.4
255.10191	18.2
269.11679	19.4
273.18454	36.5
274.38187	11.4
283.13260	19.4
291.19498	92.6
292.20200	14.9
297.11133	23.1
311.12744	12.7
313.14343	13.9
340.34598	11.5
407.22000	29.1
417.20703	79.1
435.21634	99.5
436.21689	29.7
453.22592	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68769	4.2
57.06821	4.7
57.07076	50.4
69.39553	27.0
69.39972	9.6
81.70828	3.3
91.05463	7.0
105.58089	3.7
147.11679	9.0
153.07047	4.7
180.86903	4.4
233.03503	4.4
251.04735	16.4
327.07794	100.0
358.86618	4.1
383.14081	67.1
439.20370	54.1
495.26590	71.9
551.32782	73.6
607.39301	41.8
663.45404	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	8.1
54.55304	7.1
55.05490	17.1
55.15691	5.4
55.23933	5.9
60.56429	5.9
63.54611	5.8
65.03959	6.4
67.05500	33.6
69.03424	13.5
69.07056	27.5
71.57916	8.5
79.05492	30.7
81.03418	18.3
81.07050	20.5
83.04936	12.0
85.27940	6.3
91.05482	24.0
93.07041	30.1
95.04979	15.0
95.08590	25.9
97.10178	6.6
105.07038	26.4
107.04935	26.8
107.08574	14.1
109.10174	15.1
113.56638	7.2
119.08582	11.5
121.06546	6.8
121.10168	9.2
123.04422	10.2
127.03917	8.3
129.06929	11.9
131.08574	15.7
133.10141	11.7
135.08057	8.9
137.02333	14.3
137.06000	17.8
145.10068	9.4
147.04399	12.3
149.02338	19.8
149.09607	23.2
159.08159	9.3
161.05994	32.6
161.40915	6.6
163.03934	23.8
167.03415	95.4
171.08043	13.0
173.02397	9.5
173.11598	6.9
175.11176	7.6
177.12784	8.8
179.07068	17.1
203.07074	11.6
203.10515	14.6
205.08591	95.6
213.05627	8.3
226.06223	20.9
239.06993	13.4
254.05745	60.1
255.06525	90.8
258.21341	7.3
265.04901	15.0
267.10342	7.3
273.18497	13.0
281.08139	7.2
281.11838	8.3
291.19644	45.3
295.09436	9.1
309.11307	23.8
310.11987	100.0
311.12283	7.4
403.10254	9.7
411.09082	7.1
413.02469	6.8
415.08029	43.9
416.08136	9.1
429.09595	20.4
466.28711	14.2
471.14240	9.0
485.15845	13.6
620.50732	6.9
621.24402	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	21.8
55.01875	31.4
55.05494	24.1
61.02938	24.0
61.90598	17.2
67.05511	99.3
69.03422	25.4
69.07055	59.8
71.57479	18.5
77.68807	16.5
79.05480	81.6
80.06982	18.6
81.03415	48.8
81.07045	63.9
85.02898	29.3
91.05461	88.9
93.07031	65.6
95.04958	45.3
95.08607	90.3
97.02921	18.6
105.07001	69.1
105.92030	19.5
107.04948	77.8
107.08572	88.4
109.10159	51.2
111.01482	16.0
117.07046	17.7
119.08577	27.1
121.10159	28.1
123.04362	27.3
131.08546	40.5
133.10123	33.2
137.02373	21.5
143.08553	24.2
145.06491	32.5
149.09691	39.0
161.02325	24.0
161.05913	21.7
163.03920	71.6
167.03365	30.6
187.03964	40.9
189.05472	27.9
201.31340	21.4
203.07060	30.9
203.10779	25.4
264.98846	18.9
273.18387	25.6
291.19446	100.0
353.16174	52.5
371.17221	24.7
403.25262	21.4
407.21756	27.8
417.20639	89.9
426.65491	20.2
435.21582	88.2
453.22421	65.8
480.51440	22.0
519.23145	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.3
55.01859	12.5
55.05507	41.0
57.03427	8.6
57.07072	8.4
59.04979	7.9
62.33633	6.8
67.05500	99.5
69.03413	14.8
69.07073	36.1
69.42673	57.8
71.04962	8.9
78.70693	6.8
79.05476	32.7
80.45296	6.8
80.95983	6.4
81.03408	12.0
81.07042	54.0
83.04975	10.4
83.08610	18.3
85.02906	11.0
91.05488	47.2
93.07048	53.6
95.04981	24.2
95.08595	94.9
97.10170	22.6
105.07037	30.0
107.04950	22.1
107.08595	29.4
109.02875	7.7
109.06497	8.6
109.10163	51.8
111.04444	8.4
111.08063	11.3
115.05375	9.6
117.07001	12.7
119.08590	20.8
121.10140	12.1
123.04426	13.4
123.08033	15.6
125.09660	18.2
128.81425	7.1
129.06996	12.0
131.04872	10.1
135.04442	8.3
135.08008	12.5
137.02251	8.0
137.05957	14.4
137.09528	9.7
139.03906	10.4
140.07036	7.4
141.07010	9.3
143.08511	8.8
145.06506	10.1
145.10106	9.6
149.06033	10.0
153.06990	20.1
155.04807	8.5
155.08505	8.5
157.06512	10.1
159.11740	7.5
161.05956	31.6
163.03886	25.6
163.07549	16.9
165.06996	28.2
169.06502	20.2
173.05992	92.8
173.11740	31.2
175.03894	40.6
175.07442	10.1
177.05453	25.3
181.06444	20.5
185.05997	21.1
187.03893	9.2
187.07504	16.5
189.05475	36.6
193.06430	10.1
195.08041	19.7
197.05962	32.5
199.07541	44.6
201.05537	37.0
201.09073	9.6
203.07040	39.6
209.06039	10.3
209.09657	9.6
211.07526	37.8
212.08293	9.9
213.05440	55.4
213.08937	10.9
215.06943	41.9
217.04874	23.6
221.07951	17.4
221.15416	9.8
223.07521	22.7
223.11157	15.4
224.08278	11.9
225.05411	11.1
225.09007	13.3
226.06209	9.4
227.07043	40.2
227.10664	15.0
229.05000	15.7
229.12175	18.2
235.07419	9.7
239.06952	10.6
239.10724	9.8
239.16403	15.1
241.04955	14.4
241.12155	19.2
243.06609	16.1
247.07439	7.7
251.10762	24.3
253.08499	9.5
253.12277	20.6
255.10300	10.2
257.11911	7.8
263.10693	9.9
265.12207	10.1
267.06409	9.4
269.11667	93.9
271.13269	100.0
281.11752	81.0
283.13272	14.0
286.12689	9.4
291.19479	13.2
299.12695	26.9
339.15955	11.3
364.50925	7.7
365.13641	7.8
387.12186	10.1
389.20993	16.9
399.19702	10.6
407.22034	31.0
417.20728	34.8
425.23550	8.1
429.13431	17.4
435.21567	77.8
436.37778	7.3
453.22412	33.7
627.26068	8.9
645.25867	9.9
663.35376	10.0
664.13092	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06749	8.9
53.03942	11.5
55.01870	13.8
55.05503	25.5
56.94746	8.1
62.70774	8.4
65.03941	8.8
67.05497	58.0
69.03421	26.6
69.07068	34.0
69.78252	32.5
69.78664	21.0
70.06596	10.3
71.04979	8.9
79.05492	33.6
81.03424	14.0
81.07042	54.8
83.04981	27.5
83.08608	17.8
85.02896	28.3
91.05477	42.7
93.07047	40.4
94.02689	9.8
94.06592	9.3
95.04954	25.1
95.08609	52.2
96.76591	7.7
97.02894	17.7
97.06484	10.1
97.10150	19.9
98.21478	17.7
105.07034	24.4
107.04978	9.5
107.08580	31.2
109.02873	11.4
109.06551	12.8
109.10142	30.5
111.04476	15.0
119.08601	27.8
121.10160	27.7
122.06023	9.6
123.04419	22.1
123.08072	12.6
124.24786	8.6
125.09591	12.9
127.03881	10.0
128.35399	8.7
131.08514	10.8
133.10114	15.5
135.04385	10.2
135.08025	15.4
137.05928	9.7
137.09625	14.9
139.11150	9.5
145.04863	13.9
145.10103	11.5
147.04416	15.5
147.07928	11.6
157.06445	11.4
157.10164	16.8
159.04399	17.9
159.11716	16.4
161.05989	48.1
163.03880	24.8
163.07582	19.4
171.04434	10.2
171.08138	15.4
173.05980	32.9
181.04980	9.4
185.05891	14.4
187.03899	60.1
187.07483	16.7
197.05936	13.8
198.06775	9.7
199.03896	16.9
199.07556	21.0
201.05479	38.7
201.09152	24.3
202.06238	11.7
203.07057	18.3
203.10527	14.0
204.06625	10.8
206.07953	9.1
213.05461	21.0
213.09195	32.7
215.10713	9.9
223.11388	9.4
225.09100	17.5
227.07001	15.4
227.10689	27.5
241.12091	11.3
255.10184	58.7
267.10916	8.6
269.12067	12.9
271.13318	18.4
287.13123	9.9
288.14090	10.6
299.05557	14.3
301.11813	13.5
319.13049	12.3
339.15967	10.0
367.15417	14.2
383.14841	20.3
385.16492	11.4
393.20462	10.6
407.22281	19.1
411.21655	20.5
417.20764	20.7
425.23157	11.1
435.21729	71.5
453.22580	100.0
458.17569	9.9
471.23831	14.9
478.19778	10.0
508.19519	18.1
582.24048	9.8
663.26343	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06567	0.6
55.01868	1.2
55.05498	2.0
65.03925	1.0
67.05477	2.5
69.03414	2.8
69.07055	2.4
71.58479	1.3
75.33813	0.7
79.05492	2.2
81.03405	1.9
81.07059	6.4
83.04981	1.1
85.02885	2.6
91.05468	2.1
93.07033	3.3
94.06503	0.8
95.04944	1.4
95.08624	3.6
97.02870	1.0
97.06538	1.7
97.10146	0.8
99.04445	0.9
105.07017	2.8
107.04961	1.2
107.08600	2.9
109.02882	1.5
109.06483	1.8
109.10149	2.1
110.06071	0.8
111.00788	0.6
111.04404	1.0
111.08050	0.7
115.05501	0.6
115.19882	0.7
119.08575	2.3
121.06525	1.2
121.10120	1.6
122.06012	1.6
123.04427	1.5
123.11711	2.1
124.07589	0.7
133.10103	1.3
134.09634	0.8
135.04454	0.9
135.08038	0.9
135.24097	0.7
136.07588	1.4
137.05965	1.1
138.05507	1.0
138.09146	0.8
140.07062	3.2
145.10144	1.9
146.05998	2.5
147.11685	1.6
148.07532	1.1
149.05977	1.6
152.07074	2.8
154.04993	1.1
154.08649	1.4
157.06499	0.8
157.10094	1.0
159.11708	0.9
161.05991	0.9
162.09081	0.8
163.03946	4.4
163.07506	1.1
167.07164	1.1
172.03966	3.4
174.05527	2.0
175.07506	0.7
176.07042	2.6
183.11684	0.9
190.04991	1.3
194.08141	5.0
198.09213	1.0
203.07091	2.9
203.10677	2.3
204.06541	2.3
206.08180	2.8
211.12317	1.2
217.12282	0.7
225.10204	5.2
226.08662	0.9
227.11775	1.9
233.81883	0.7
237.10161	2.7
238.10974	1.5
239.11771	2.5
240.12570	1.9
241.13554	0.8
243.11418	1.5
249.10199	1.0
250.10884	1.6
251.08131	0.7
251.11810	2.3
253.09698	10.6
253.12500	1.1
253.13350	1.2
254.10246	1.6
255.11345	1.6
259.10892	1.5
263.11700	2.1
265.09717	6.2
266.10480	3.9
267.11353	5.8
269.12747	3.5
271.10696	1.2
277.09692	1.4
278.10516	1.0
279.11255	3.0
280.12012	2.0
281.09143	0.7
281.12814	1.9
282.09958	1.8
283.10822	3.6
283.14029	0.8
284.11612	1.3
285.12274	4.2
287.13956	3.4
291.11362	1.2
292.12076	1.4
293.09238	15.6
293.12488	0.9
294.09967	19.1
295.10764	12.4
296.11365	0.9
297.12399	6.5
298.13074	1.4
299.13788	2.1
301.11880	2.5
303.13440	1.6
307.10745	1.7
307.14386	1.3
308.11566	1.4
309.12311	38.8
310.12842	1.9
311.10129	0.8
312.11270	3.4
312.14502	1.0
313.11789	5.7
316.14435	1.2
323.13672	0.9
325.11783	2.4
326.12628	1.0
327.09552	1.0
327.13367	18.3
328.14182	1.2
330.16055	1.4
331.12912	2.3
331.16608	1.1
335.10190	1.0
337.11740	1.3
339.13364	10.8
340.14154	1.6
341.14844	2.1
342.12106	1.3
345.14401	1.9
351.13416	11.0
353.11340	1.5
354.12183	2.6
355.12692	1.0
357.14334	1.0
358.15225	1.7
367.12857	7.7
368.13541	2.0
369.14441	100.0
370.14783	3.0
372.17194	0.9
384.13245	1.2
385.13797	1.7
390.18195	1.1
398.14850	1.5
399.15707	5.3
400.16513	5.1
401.17090	33.2
401.22427	1.6
402.17410	1.9
414.18427	1.5
417.16812	1.3
418.17392	0.9
429.13300	1.2
440.16458	1.1
458.16937	6.6
459.17990	5.6
460.18823	2.0
468.21317	2.7
480.21112	0.9
508.20798	29.3
509.21567	16.8
526.22040	0.9
540.23376	9.1
541.24030	2.6
581.24048	1.4
581.66669	0.8
595.21423	1.0
599.25006	25.2
599.34973	1.3
600.25293	1.6
613.23065	1.5
631.26709	2.6
663.25055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05513	0.9
66.36916	0.7
67.05491	2.5
69.03423	1.4
69.07067	40.5
69.42799	3.6
69.43230	3.0
79.05484	1.6
81.03410	1.2
81.07062	2.0
85.02876	0.9
86.87593	0.7
91.05495	1.6
94.06582	0.8
95.04970	1.2
95.08600	1.6
97.06533	1.2
98.21455	1.5
105.07018	1.3
107.04948	1.1
107.08572	1.5
108.08115	3.3
109.06502	1.9
110.06052	1.1
119.04922	0.7
119.08569	0.7
120.08149	0.8
122.06013	3.5
127.03917	0.8
135.04413	2.7
136.07581	1.1
137.05992	2.0
138.05511	2.1
140.07060	39.9
143.08569	1.3
146.05977	1.1
147.04514	1.1
147.08054	1.3
149.06032	1.1
150.05692	0.7
153.01819	0.8
156.06680	0.8
160.07632	1.4
161.05991	1.3
162.09029	0.8
163.03857	1.1
171.08064	0.8
189.09102	4.9
191.10571	0.8
199.08875	0.9
203.07043	1.1
203.10686	2.7
208.09750	2.4
212.09386	0.9
216.10280	1.0
225.10187	0.9
235.08720	3.0
235.39658	0.7
236.09485	1.4
237.10278	3.3
239.11809	1.2
241.09740	1.0
243.11386	1.3
247.08574	0.8
249.10242	4.2
250.11060	1.6
251.08159	0.7
251.11749	5.2
253.09615	0.8
255.11235	1.8
259.10773	0.9
261.10236	1.3
263.08118	1.8
263.12067	1.1
264.08972	1.7
265.09793	2.7
267.11377	1.2
277.09775	3.3
278.10492	1.0
279.11270	5.9
281.09253	3.4
283.10846	1.4
285.12424	2.0
291.11264	1.0
295.10800	2.7
296.11563	0.9
297.12244	1.0
301.12067	1.6
302.13000	1.0
303.13419	0.9
309.12408	2.1
311.10574	1.0
311.14365	0.8
313.12164	1.6
314.13217	1.4
316.14676	1.7
323.10242	7.8
325.11960	1.2
328.11053	1.6
328.14447	1.3
329.11768	2.4
330.12283	3.5
330.15848	1.2
331.13321	1.2
332.13873	1.0
335.10263	0.8
340.14700	1.7
341.11789	1.0
342.12656	2.9
343.13232	2.4
344.14154	5.0
346.15613	2.4
351.13608	0.8
353.11359	1.2
354.12311	0.9
354.16095	1.4
355.13150	4.8
356.13846	4.7
357.14670	2.4
358.11765	1.3
358.15649	3.3
359.16159	1.1
360.13416	1.3
363.15436	2.0
368.13843	1.2
369.14667	1.1
370.11575	1.3
370.15695	1.6
371.16611	1.2
372.13162	1.2
372.17230	1.7
373.13992	1.1
373.18195	1.2
380.13715	0.9
382.15720	1.1
383.16208	1.1
384.13162	1.2
384.17511	1.0
385.14124	1.1
386.14847	4.1
388.12579	0.9
388.17218	1.0
396.13208	1.1
397.13977	1.1
398.14981	2.6
399.16052	1.6
400.16928	4.0
402.14221	1.7
403.15393	0.9
404.15964	2.1
414.14536	3.0
415.15244	1.4
416.16049	1.9
417.16611	1.6
418.17859	1.2
426.14395	2.0
427.15512	1.5
428.16037	5.7
430.18152	1.3
431.18753	1.2
432.15665	2.2
433.16504	3.5
434.17313	1.2
442.18002	1.6
444.15591	2.1
445.16422	2.0
446.17154	3.2
454.14148	3.0
455.14658	2.0
456.15240	5.0
460.18845	2.2
472.15048	3.8
473.15991	4.9
474.16611	30.4
476.18604	2.0
477.18878	1.1
481.19110	1.0
488.18359	4.8
501.20328	1.7
504.17261	1.0
505.18451	8.4
506.19254	36.7
507.19522	1.3
524.21173	1.9
525.20813	1.0
540.21155	1.1
550.20099	0.9
567.22375	2.3
568.20886	2.5
585.22992	1.1
595.22034	5.6
613.22888	39.3
627.24432	10.4
631.24005	1.7
645.25513	100.0
646.25433	1.9
663.26172	3.0
663.35547	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01868	1.5
60.96447	0.7
67.05522	1.2
69.03421	1.5
69.07080	3.6
71.24517	1.4
71.24834	0.7
79.05479	1.4
81.03426	1.7
81.07053	1.3
82.99596	0.7
83.04949	0.8
85.02892	3.2
91.05472	2.7
94.06577	2.5
97.02912	1.0
97.10141	1.0
105.07025	3.2
107.04961	1.3
109.02902	1.0
110.06079	0.8
111.13508	0.8
111.45755	0.7
111.52107	0.7
119.04984	1.0
120.04452	0.8
122.06020	4.5
127.03900	1.1
128.06239	1.5
133.10144	1.6
135.04382	1.8
135.07993	0.9
136.07544	1.0
137.05988	1.1
138.05551	0.9
140.07045	4.7
141.06964	0.8
143.08582	1.6
145.06520	0.9
147.04401	9.5
147.08044	18.8
160.07611	2.1
161.09634	3.3
162.30125	0.7
163.03905	1.2
163.07501	4.3
171.08060	4.6
175.07462	0.8
180.27802	0.8
183.09117	0.8
185.09622	1.2
187.07581	0.9
189.09106	88.7
190.09427	0.9
197.07114	0.9
198.07893	1.7
199.08714	0.8
203.07149	0.9
204.06401	0.9
206.08371	0.9
207.09235	0.9
208.09726	1.1
211.08701	2.7
212.09441	1.0
213.08948	1.3
215.08395	0.9
215.10727	4.6
221.10797	2.4
223.08751	1.5
225.10284	1.2
227.10652	2.0
229.12329	1.3
231.10243	1.2
235.08559	3.7
236.09464	3.0
237.10141	5.0
238.10822	1.4
239.10593	1.0
241.09862	0.8
247.08685	1.1
248.09489	1.6
249.10220	20.1
250.10976	3.9
251.11810	17.6
252.12592	2.4
253.09665	1.1
255.10429	2.5
257.09247	1.0
257.11807	2.1
259.10846	2.5
261.10272	2.7
262.10873	1.8
263.08234	3.0
263.11789	4.5
264.09073	1.3
264.12424	1.8
265.09784	5.4
265.13422	2.6
277.09714	12.0
278.10480	3.3
279.11270	7.4
279.13983	0.9
281.09222	3.2
281.12015	2.4
282.09616	0.9
283.10730	1.4
285.12152	1.6
288.11487	0.9
289.09613	1.2
291.11295	2.3
295.10785	3.6
296.11578	1.7
297.12332	3.1
299.11765	1.5
300.11697	1.3
301.11768	5.5
302.13037	1.1
303.13599	0.9
309.12384	7.9
310.13321	3.5
311.14194	3.9
312.15024	1.6
313.12653	1.7
314.12875	3.3
315.13800	1.1
316.11038	1.0
316.14496	2.4
323.10291	7.4
323.13956	4.7
324.14914	2.0
325.12476	1.3
325.16049	1.1
326.13126	1.6
326.16379	5.3
327.10626	1.0
327.14233	1.6
328.10834	6.2
328.14774	2.4
329.11642	6.4
329.15112	1.7
330.12476	3.7
330.16113	2.2
331.13144	1.3
332.14120	1.0
337.12088	0.9
338.12897	2.2
339.16403	5.6
340.10852	1.5
340.14499	3.0
341.12561	1.5
342.12341	6.8
342.15823	0.9
343.13150	5.3
344.10333	1.5
344.13901	10.4
344.17630	1.1
345.14624	2.8
352.14481	2.7
353.12259	1.2
354.12399	2.1
354.16153	3.2
355.12903	7.8
356.09991	1.2
356.13913	10.8
357.14584	5.4
358.11853	1.6
358.15582	6.6
359.15640	1.2
361.49707	0.8
363.15823	1.3
367.13214	1.6
368.14212	3.7
369.14697	2.4
370.11862	3.4
370.16080	3.6
371.12787	2.3
371.16815	1.3
372.13272	6.0
372.17447	3.8
373.13953	2.0
373.18021	4.1
374.15005	1.7
375.81644	0.9
380.13840	1.1
382.11404	1.5
382.15625	2.8
383.16293	3.3
384.13074	4.4
385.14084	1.8
385.18378	1.5
386.14944	7.0
386.19000	2.4
388.12668	1.8
388.17072	1.2
389.18008	0.8
396.13376	4.9
397.13852	1.2
398.15213	4.8
399.15814	3.4
400.12885	6.4
400.16669	6.3
401.13266	0.9
401.17780	1.2
402.14313	4.5
403.15326	2.7
404.11606	1.2
404.16061	3.4
405.16916	2.1
410.14999	1.8
412.12924	2.5
414.13934	10.1
414.18979	2.2
415.14948	1.1
416.15958	4.4
417.17239	4.2
418.17612	3.3
419.14899	1.4
426.09366	0.8
426.14566	3.9
427.15417	1.3
428.16083	6.9
430.13986	2.8
431.17624	0.8
432.14655	3.8
433.16379	2.3
442.18100	8.2
443.18686	1.0
444.15787	2.4
445.16412	5.2
446.17200	6.0
454.14105	7.2
455.14670	3.6
456.15475	3.8
458.79776	0.8
460.18936	18.1
462.16794	1.1
464.18689	1.0
472.15109	13.1
473.15823	33.4
474.16602	44.0
475.16727	1.8
476.18158	7.6
477.19016	4.6
487.17200	1.8
488.18210	4.3
490.16275	1.8
491.16730	2.1
492.17575	6.7
504.17676	18.5
505.18445	100.0
506.19214	45.3
506.26828	1.8
507.19635	1.7
522.18915	2.2
523.19476	15.5
524.20105	1.0
595.21942	6.6
601.22278	0.9
613.22772	15.1
627.24377	5.3
631.23706	1.7
645.25525	17.6
663.26508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.5
56.87500	2.7
67.05499	8.3
69.03414	6.4
69.07064	7.7
71.04992	3.1
71.57957	2.7
79.05495	5.2
81.03421	3.6
81.07042	12.5
83.04966	2.3
85.02895	5.1
85.06564	2.7
86.09741	2.8
87.00804	2.7
91.05472	10.3
93.07048	6.9
95.04961	5.6
95.08601	8.0
97.06548	2.4
105.07059	8.4
107.08591	4.5
108.08121	6.8
109.02926	3.6
109.06487	5.0
109.10165	8.5
117.03411	2.5
117.07075	2.9
119.08603	3.6
120.08086	8.7
121.06569	3.5
121.10120	6.9
122.06015	4.4
124.07580	4.8
127.03886	5.2
131.08598	3.7
133.10117	4.8
135.04414	4.2
135.08109	3.4
136.07578	3.0
137.05942	4.4
138.05505	5.0
138.09132	8.4
147.04420	3.1
152.07068	4.0
156.06554	3.4
159.11655	3.5
160.07629	3.2
161.06009	4.0
163.03905	18.0
163.07533	7.1
166.08662	6.3
167.07030	3.1
172.03954	7.1
190.08604	2.4
196.98846	2.6
203.07100	2.6
204.06619	5.7
206.08153	6.9
211.11838	2.2
213.10231	3.3
216.07530	3.8
225.10252	6.2
227.11781	9.6
237.10324	6.4
239.11771	2.7
240.12863	2.7
241.09695	3.2
243.11270	17.1
249.10313	8.9
250.10976	4.0
251.11812	5.4
253.09711	5.5
255.11349	7.3
259.10757	4.9
263.11771	7.0
265.09702	13.2
267.11246	5.6
269.12830	3.5
271.10828	3.3
277.09717	6.1
278.10428	3.6
279.07693	8.3
279.11328	13.0
283.10760	12.4
283.14310	5.2
285.12399	22.6
287.13885	10.3
287.40421	2.6
291.11047	3.3
293.09497	4.5
293.12872	10.8
297.12146	4.1
303.13388	3.4
306.10431	2.4
307.10623	3.3
309.12253	3.6
311.10309	19.0
311.13660	3.9
313.11713	3.0
315.12994	2.6
317.15027	10.0
325.11853	7.5
329.11319	3.2
337.11652	6.8
339.13354	30.1
343.12943	11.8
352.10562	3.0
355.12973	5.0
361.14035	2.9
366.11792	2.7
367.12762	6.1
369.14377	4.7
384.13138	3.3
384.17401	3.1
398.14941	6.1
399.10233	5.8
399.15518	100.0
460.19031	2.6
465.18881	3.1
476.18152	3.4
478.19766	5.4
488.18170	3.7
489.18768	9.4
490.19626	6.7
506.19193	22.4
507.20157	6.7
508.20404	8.4
520.20886	5.1
538.21771	29.4
539.22760	11.9
541.84314	2.9
555.22626	3.0
566.29175	3.2
597.23474	16.3
617.22015	8.9
629.25623	5.7
661.30115	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07943	0.7
51.97843	0.8
55.05502	1.8
57.36994	0.8
67.05501	4.2
69.03411	2.2
69.07066	2.8
71.58262	0.8
79.05489	2.0
81.03429	1.2
81.07059	3.0
83.05004	1.2
85.02908	1.7
91.05476	2.0
93.07039	3.2
94.06557	3.3
95.04980	2.5
95.08591	2.3
95.80999	0.8
97.06557	1.6
105.07047	2.2
106.06556	1.1
107.04926	1.4
107.08592	2.6
109.06497	1.2
109.10169	1.8
110.88137	0.9
111.68668	0.9
112.65237	1.1
117.07050	0.8
119.04989	0.9
119.08573	1.3
120.08069	0.9
121.10159	1.6
122.06023	12.4
123.04434	1.8
124.07623	0.9
127.03928	1.6
133.10136	1.1
134.00836	0.8
135.11659	1.0
136.07581	1.9
140.07051	12.3
144.04471	1.5
145.10132	1.4
146.06023	4.5
147.04366	1.7
148.07570	2.9
149.09641	1.0
150.05450	1.2
156.10266	1.2
159.07991	0.9
161.02390	1.1
161.05991	2.5
162.05498	1.5
163.03958	1.6
168.06593	3.2
168.10287	1.0
172.03897	9.1
172.07510	1.1
174.05460	4.5
181.04980	0.9
181.08698	1.2
182.08102	1.5
185.10837	1.1
189.09030	1.0
191.05695	1.7
198.09117	2.3
201.10220	3.4
203.06996	1.7
204.06554	12.8
206.08176	4.1
212.10771	2.8
213.05360	1.7
213.10237	4.5
215.07042	1.8
217.08665	1.0
225.05684	0.9
225.10384	4.5
226.08681	1.1
227.08147	3.5
227.11803	3.3
228.12700	1.2
229.09741	3.4
229.13448	1.6
239.11890	1.2
240.10239	1.3
241.09793	8.2
241.13406	4.2
242.10460	11.2
243.11301	3.9
244.11978	1.2
251.10791	1.0
253.09702	1.0
255.11383	2.4
256.12048	10.6
257.12820	10.7
258.11398	1.8
258.13776	1.7
259.10754	1.0
267.11176	1.0
271.14417	1.4
272.12903	0.9
283.10861	1.4
284.11484	7.0
285.12402	6.1
287.10254	2.6
287.13821	1.9
289.15442	3.9
299.10178	2.6
299.13495	0.9
300.11331	1.4
301.11853	2.5
302.12573	4.0
311.10406	1.3
313.11731	4.3
315.13434	3.2
317.14944	100.0
318.15234	1.4
328.25391	1.0
329.11307	1.8
331.12885	3.9
343.12842	2.8
345.14438	3.5
353.10257	1.9
360.17233	0.9
409.23752	1.6
451.21381	1.6
465.19055	1.9
474.16483	5.4
488.18124	3.5
506.19257	6.7
538.21790	2.5
583.25317	1.1
585.27087	1.4
597.22937	2.7
629.26031	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	3.1
67.05500	9.0
68.70657	3.6
69.03423	3.9
69.07063	7.3
69.48177	13.7
69.48586	11.2
79.05497	3.1
81.07066	5.5
83.04957	3.3
91.05473	4.3
93.07069	5.3
95.04960	8.4
95.08566	5.6
97.02917	3.5
105.07028	5.2
106.78793	2.7
107.08575	4.9
108.08104	3.2
109.10204	2.6
110.06023	2.6
122.06084	3.2
122.09647	3.8
124.07629	5.4
131.08534	4.2
132.04485	4.6
133.06616	2.9
134.06010	3.1
138.05492	20.8
148.07536	3.1
152.07031	3.2
154.30016	2.6
160.03949	6.2
161.05870	3.3
163.03838	3.6
163.07526	16.5
181.08580	6.3
186.09207	4.1
187.07526	2.6
190.04984	3.7
206.08064	3.4
209.10646	3.4
210.28944	2.7
212.09427	4.2
225.10211	10.6
226.11023	3.1
227.11775	29.7
237.10158	5.6
238.08771	2.9
239.09375	12.0
239.11618	4.5
241.09909	3.2
241.13300	3.8
243.11255	7.5
251.02034	2.8
251.08151	2.9
251.11761	3.5
253.09731	12.3
255.11151	4.0
259.10791	8.8
265.09695	10.0
266.08121	5.2
269.12729	15.7
271.10822	16.9
279.11252	4.2
282.11139	3.8
283.10818	15.9
285.12283	20.6
287.13904	69.3
297.12366	16.0
311.10236	71.4
311.13611	5.2
313.11801	3.5
325.11774	7.6
329.11411	10.1
343.12860	54.2
368.13757	3.1
388.16614	3.8
454.26782	3.1
467.17001	3.9
492.20828	4.4
529.23993	5.0
531.55634	3.7
553.24762	7.5
555.22498	18.2
579.22272	6.9
597.23291	100.0
611.24445	5.2
629.25751	10.1
643.26746	3.7
650.83282	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
56.35861	0.7
69.03436	0.9
69.07092	1.1
69.93703	4.9
73.83337	0.7
79.05481	1.6
80.01225	0.9
81.03421	1.0
81.07050	1.8
81.50899	0.8
82.48800	0.8
85.02927	0.9
91.05521	1.4
93.07046	1.1
95.04991	1.2
95.08616	2.0
105.07055	1.7
117.07024	0.9
133.10094	0.8
149.09706	0.9
161.06071	1.1
161.09660	1.0
175.07538	0.8
184.40639	0.8
197.99580	0.8
235.70461	0.8
280.63818	0.9
394.17825	0.8
401.16092	1.6
405.16437	1.0
416.18744	1.3
417.16287	1.3
429.15533	7.7
430.16394	3.0
431.17325	5.0
435.17584	1.4
441.15640	2.3
443.17178	2.7
444.18042	8.0
445.19086	1.4
453.15604	0.9
454.16464	5.0
455.17288	2.9
456.18869	3.8
457.14465	16.5
458.15036	1.1
459.17004	0.9
467.17142	2.2
468.18170	1.8
469.19031	5.9
471.16061	5.9
472.17438	26.2
473.18140	4.0
482.16016	3.0
490.18961	0.9
495.16507	1.6
496.17551	2.8
497.18018	7.6
500.16708	1.8
501.17868	1.1
513.18524	1.0
514.18799	1.6
515.19446	6.1
516.20404	1.4
524.17084	2.5
528.19818	1.2
529.20819	0.9
531.22632	9.3
556.19702	3.9
557.21686	1.2
559.21912	53.4
560.22186	3.9
569.20398	2.2
577.23175	1.1
587.21478	4.8
597.20068	3.9
609.61139	1.0
618.23145	1.5
619.23993	100.0
620.24298	5.4
629.22437	14.5
630.22437	1.2
643.23590	2.2
661.24982	62.6
662.25092	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05523	1.3
57.03432	1.7
57.07063	1.2
61.02922	4.6
66.65826	0.5
67.05507	3.8
69.03424	2.6
69.07066	1.2
70.06582	1.9
71.58091	0.9
73.02898	2.2
79.05496	2.7
81.03419	2.0
81.07053	4.2
83.08577	0.5
85.02890	6.5
88.07631	2.5
91.03947	3.9
91.05471	1.3
93.07032	2.2
95.08624	3.0
97.02882	5.5
99.04470	0.9
101.02326	0.7
102.09193	1.6
103.03939	0.9
105.07019	1.6
107.04982	1.2
107.08579	1.6
109.02852	1.6
109.10191	1.3
119.01035	1.8
119.08576	1.1
121.10107	1.5
127.03918	1.5
131.08546	0.8
133.10187	0.6
135.11667	0.8
145.04935	1.4
149.02361	3.1
149.13242	0.8
157.10156	0.8
159.11781	0.8
161.13199	0.6
173.13293	0.6
182.90509	0.5
193.04974	4.0
194.05281	1.3
221.33980	0.6
222.99088	0.6
237.07442	0.7
246.27380	0.6
256.26303	2.5
257.26672	2.4
261.22107	1.9
271.13965	0.7
331.17795	1.3
333.19470	0.7
335.25757	5.9
341.06393	0.6
349.18747	1.8
351.21408	12.5
385.08899	0.8
386.09485	1.8
430.12265	0.9
641.38831	0.7
659.41583	100.0
660.42285	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05523	1.3
57.03432	1.7
57.07063	1.2
61.02922	4.6
66.65826	0.5
67.05507	3.8
69.03424	2.6
69.07066	1.2
70.06582	1.9
71.58091	0.9
73.02898	2.2
79.05496	2.7
81.03419	2.0
81.07053	4.2
83.08577	0.5
85.02890	6.5
88.07631	2.5
91.03947	3.9
91.05471	1.3
93.07032	2.2
95.08624	3.0
97.02882	5.5
99.04470	0.9
101.02326	0.7
102.09193	1.6
103.03939	0.9
105.07019	1.6
107.04982	1.2
107.08579	1.6
109.02852	1.6
109.10191	1.3
119.01035	1.8
119.08576	1.1
121.10107	1.5
127.03918	1.5
131.08546	0.8
133.10187	0.6
135.11667	0.8
145.04935	1.4
149.02361	3.1
149.13242	0.8
157.10156	0.8
159.11781	0.8
161.13199	0.6
173.13293	0.6
182.90509	0.5
193.04974	4.0
194.05281	1.3
221.33980	0.6
222.99088	0.6
237.07442	0.7
246.27380	0.6
256.26303	2.5
257.26672	2.4
261.22107	1.9
271.13965	0.7
331.17795	1.3
333.19470	0.7
335.25757	5.9
341.06393	0.6
349.18747	1.8
351.21408	12.5
385.08899	0.8
386.09485	1.8
430.12265	0.9
641.38831	0.7
659.41583	100.0
660.42285	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	1.0
56.96571	18.7
66.25532	1.0
66.40970	0.9
70.62673	4.1
71.95237	1.2
74.51165	0.9
74.97619	0.9
77.00911	1.1
79.05470	1.6
84.93124	0.9
84.96005	1.1
93.07045	1.4
95.08664	1.0
98.81998	0.9
98.97556	0.9
110.97605	1.7
112.25420	1.0
123.01246	0.9
127.00637	1.0
128.98611	3.7
146.99666	4.2
148.00441	1.7
152.29359	1.0
155.03804	1.4
159.46983	1.0
161.01228	2.0
165.00758	1.9
171.03316	1.2
182.71132	1.1
183.03339	1.7
185.04912	2.8
189.04340	3.1
193.03720	1.0
199.06444	2.9
201.00658	1.1
201.09689	1.0
203.02286	1.1
203.05933	3.2
211.06422	2.7
213.08034	3.2
215.02325	3.0
215.05940	1.3
217.07472	8.2
223.02728	1.6
223.06413	1.3
225.07982	2.9
227.05940	1.7
227.09566	2.4
229.07562	2.9
231.09032	6.9
237.07909	1.5
237.10150	1.2
239.06020	2.4
240.06801	1.7
241.07504	1.8
243.09070	4.3
245.06978	1.4
245.10655	5.0
247.08588	2.2
255.09001	2.2
257.06918	6.3
257.10681	1.9
258.07825	5.4
261.10056	1.3
273.09964	1.5
275.08115	2.8
276.08862	3.9
280.09766	1.0
321.17343	1.1
331.15765	15.0
333.19162	3.2
349.16843	90.0
350.17224	3.3
351.20218	5.0
367.17935	100.0
368.18143	3.9
372.18445	4.7
385.18854	6.6
390.19574	13.8
581.26740	1.2
641.37366	1.2
659.27441	2.3
659.38220	34.0
660.38629	1.7
689.84790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	43.8
57.03455	1.2
61.03593	1.0
66.98722	1.1
67.05497	1.2
70.09599	5.4
71.74778	0.9
71.95264	3.8
72.96053	2.4
74.97617	2.3
79.05493	2.8
81.03439	1.2
81.07072	2.8
84.96007	1.1
85.02921	1.6
91.05476	2.3
93.07038	1.8
95.08587	1.4
97.02901	1.2
98.20830	1.7
105.06994	1.3
107.08616	1.2
116.98587	1.2
121.10104	1.3
122.70668	1.1
123.01254	2.0
128.98579	3.0
131.08546	1.1
137.02771	2.0
141.02251	1.4
146.99666	6.8
155.03806	3.8
157.10147	1.7
163.02809	1.3
165.00719	1.4
169.01767	1.7
169.05380	1.2
171.03381	1.9
173.04828	1.3
183.03381	1.3
183.06952	1.1
184.83296	1.0
185.04947	3.3
187.02716	1.2
187.06396	1.5
189.04364	4.9
191.05966	2.3
195.07010	2.9
197.04984	1.6
197.08481	1.2
199.06439	12.1
201.08009	2.9
203.05901	9.0
203.15463	1.3
211.06436	8.5
213.07997	27.3
215.05861	1.4
215.09697	1.5
217.07497	20.5
219.08995	2.4
222.86209	1.0
223.06578	1.2
225.07976	5.7
227.09520	2.0
229.07495	46.3
231.09048	47.0
236.09644	3.4
237.08005	2.4
239.09479	3.2
241.07437	1.7
241.11115	1.6
243.09093	20.0
245.10751	2.0
247.08542	47.0
251.09473	5.1
252.09077	6.6
254.10645	3.6
255.09079	10.3
257.10574	3.2
259.12094	1.2
261.10129	15.0
267.09055	13.2
269.10611	46.8
270.10324	3.1
273.10101	10.2
284.11682	2.0
285.10062	19.2
287.11667	22.7
291.12695	1.1
292.12222	5.7
296.11734	1.2
297.10114	1.2
303.11020	2.4
308.11658	2.2
310.13361	2.4
313.14862	1.5
331.15756	13.1
349.16870	63.6
350.17200	1.6
367.17941	100.0
368.18146	2.4
372.18292	2.2
385.19141	9.5
390.19543	20.1
391.19260	1.2
426.72903	1.1
516.47473	1.3
521.27576	3.2
526.06158	1.0
561.30640	2.4
659.27600	1.7
659.38293	26.4
660.38672	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06380	0.6
56.96564	26.5
56.96848	1.3
69.84461	0.8
70.48409	2.8
71.95263	2.1
72.96046	1.2
74.97607	1.1
79.05491	1.4
81.07063	0.7
84.96069	0.9
97.96821	0.8
105.43710	0.6
116.98637	1.4
117.86190	0.8
119.41975	0.7
127.66324	0.6
128.98592	3.3
137.02753	1.2
146.99646	2.9
155.03790	1.0
161.01189	0.9
169.05338	1.0
171.03371	1.2
173.04759	1.3
181.05391	1.3
183.03189	0.7
183.06831	0.7
185.04880	1.4
187.06418	0.9
189.04329	1.2
191.05917	0.9
195.06984	2.1
197.04791	0.7
199.06407	5.8
201.04214	0.7
201.07965	2.8
203.05920	2.7
203.09521	1.3
205.07532	0.9
207.07013	0.7
211.06358	5.3
213.08006	18.0
215.09566	1.1
217.07466	12.9
219.09058	2.6
223.08472	1.1
225.07921	2.0
227.05928	1.0
227.09592	1.1
229.07469	38.6
231.09039	35.3
235.08286	0.9
240.08992	1.0
243.09044	11.7
245.10516	1.5
247.08527	36.1
248.08859	0.9
249.10091	1.0
252.09033	3.3
254.10681	1.8
255.09038	1.9
261.10110	13.0
270.10190	1.1
273.10080	1.4
274.86414	0.8
280.09930	1.0
282.75198	0.8
293.14444	0.8
297.13812	0.7
313.14844	1.3
331.15753	8.7
349.16849	100.0
350.17163	2.9
367.17896	44.4
368.18338	1.1
372.18561	1.6
390.19464	8.1
659.38177	11.1
660.38501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	34.1
67.05543	0.7
69.63435	4.9
71.95255	3.1
72.96040	1.7
74.97639	0.8
76.54447	0.7
77.08511	0.6
79.05484	2.8
81.07053	0.8
84.96017	0.9
97.96823	0.7
98.20683	0.7
98.21238	2.0
98.97598	0.8
110.97597	1.1
116.98621	1.2
123.01206	0.7
128.98627	3.5
134.99702	1.2
137.02762	1.2
138.35086	0.6
145.01773	0.7
146.99670	4.5
155.03802	2.1
158.01208	0.7
161.01173	1.2
161.02385	0.8
165.00743	0.9
167.03786	0.9
169.05357	1.0
171.03305	1.9
173.04884	2.0
175.38599	0.7
179.02155	0.8
181.05293	1.4
183.03348	1.0
183.07074	0.8
185.04816	1.8
187.06480	1.2
189.04324	2.0
191.05940	1.5
195.06950	1.9
197.04926	1.1
199.06450	5.5
201.04425	0.9
201.07994	2.6
203.05920	3.1
205.07492	1.2
206.48596	0.7
209.04869	1.2
211.06361	4.9
213.08000	21.1
213.10059	1.2
215.05914	1.6
215.09587	1.0
217.07483	10.8
217.11066	0.9
219.09045	3.1
223.02748	1.1
223.08583	0.7
225.07991	3.1
227.09550	1.7
229.07489	27.4
231.09056	39.0
233.07060	0.8
236.09723	1.0
237.04340	0.8
239.09512	0.9
240.09196	0.7
241.07474	1.0
243.09079	17.6
245.10652	2.7
247.08546	26.5
249.10130	0.8
251.05937	1.0
252.09047	2.9
253.11133	1.4
254.10770	1.7
255.09082	0.9
261.10132	16.7
266.10678	1.1
267.08746	0.7
267.12610	0.9
270.10184	1.2
281.14011	0.9
284.19269	0.8
287.75092	0.7
297.13651	3.5
298.10876	1.0
307.15640	1.3
313.14719	1.8
315.14853	1.5
319.15939	1.3
331.15765	16.2
349.16873	100.0
350.17224	2.5
367.17941	61.4
368.18341	1.7
372.18427	1.9
385.18915	3.6
390.19559	12.3
436.11658	0.7
554.00366	0.8
641.37201	1.7
659.38269	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	24.1
59.86908	0.3
64.67376	0.3
67.05484	0.3
67.50283	0.3
71.38955	0.6
71.95257	2.1
72.96027	0.4
74.76842	0.4
74.97613	1.1
79.05493	3.5
79.75251	0.3
81.07066	0.5
83.65773	0.3
84.96030	1.1
89.39830	0.3
91.05473	0.5
93.07011	0.4
95.04941	0.3
97.96828	0.7
98.97591	0.4
105.06979	0.5
107.08560	0.8
110.97581	0.7
115.00704	0.3
115.97855	0.7
116.98611	0.4
121.01739	0.3
123.01179	0.9
128.98622	2.5
133.01707	0.3
137.02716	0.6
141.02202	1.0
146.99648	2.9
147.03296	1.0
155.03813	0.9
157.01793	0.5
159.03265	0.4
161.01234	1.0
161.04823	0.4
165.00743	0.6
165.02100	0.4
167.03809	0.4
169.01747	1.6
169.05283	0.5
170.02550	0.4
171.03310	1.1
173.04794	1.6
175.02765	0.6
181.05388	0.4
185.04909	0.8
187.02809	2.2
187.06380	0.5
189.04372	1.5
191.05913	1.1
193.03793	0.5
195.06956	0.9
197.01157	0.5
197.04773	0.4
197.08400	0.5
199.02798	0.3
199.06412	1.8
201.04372	0.6
203.05815	1.7
203.07530	0.7
207.06905	0.6
209.04842	0.5
209.06754	0.4
211.06422	0.6
211.19080	0.3
213.07870	0.6
214.16525	0.3
215.05859	0.6
217.07437	2.9
219.08980	0.7
221.08510	1.1
223.06393	0.5
225.04497	0.4
225.07941	1.1
227.05801	0.4
229.07309	0.7
231.08971	0.6
235.06331	0.8
237.07883	0.6
237.09874	0.6
239.09470	1.4
241.13280	0.5
243.08932	3.6
247.10219	0.7
249.08052	0.4
251.09554	1.2
253.07477	0.6
253.11107	0.7
255.09090	1.2
257.10590	0.9
259.10040	1.2
261.07803	0.4
261.10068	2.2
263.09381	0.7
265.11118	1.1
267.09079	0.4
269.10446	0.9
271.12210	0.5
273.09909	0.4
275.09698	0.5
277.11111	15.1
279.12601	0.8
283.12076	0.6
291.12531	1.5
293.14316	0.4
295.12170	4.9
300.12747	0.9
307.15787	0.4
309.13943	0.5
312.92029	0.3
313.14545	2.0
329.14368	0.7
331.15747	53.6
332.16266	0.4
349.16830	100.0
350.17111	1.0
363.18362	0.4
367.17831	4.4
372.18454	10.6
497.26480	0.3
500.41235	0.3
623.35846	1.0
631.26941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.96569	22.6
60.66636	0.5
67.05488	0.8
69.03413	0.6
69.70607	2.7
71.95264	2.3
74.97620	0.5
77.00916	0.8
79.05494	4.1
80.98363	0.4
81.07075	0.8
83.04981	0.5
83.08558	0.4
84.96007	0.9
85.02887	0.6
89.21424	0.4
91.05482	1.1
92.98664	0.6
93.07021	0.9
94.06553	0.5
95.04969	0.8
95.08624	0.5
97.99107	0.5
102.99325	0.5
105.07030	0.8
107.08591	0.8
108.08099	0.9
110.97580	0.7
120.08134	0.7
121.01723	0.6
123.01197	1.0
128.98616	1.9
133.01740	0.9
133.10225	0.6
136.07542	0.6
141.02225	1.0
146.99640	4.1
147.03270	0.8
149.05894	0.5
155.03804	0.9
159.03261	0.5
161.01195	0.6
163.03926	0.7
165.00716	1.2
167.03726	0.7
169.01730	2.2
169.05350	0.5
171.03268	0.7
173.04855	1.8
177.02283	0.4
177.04189	0.6
177.05809	0.5
181.05280	0.7
185.04825	0.8
187.02756	2.3
189.04362	1.0
191.05890	0.7
195.06924	0.7
197.04823	0.6
197.08583	0.6
199.06346	2.3
201.04330	0.9
203.05830	1.3
203.07468	0.5
204.06555	1.7
213.08127	0.4
215.11325	1.6
217.05522	0.7
217.07425	3.0
221.08513	1.0
223.06316	0.5
225.04414	0.5
225.08014	1.7
229.07469	1.3
231.09082	1.1
233.12311	0.7
235.06409	1.0
235.12152	0.5
243.09055	3.4
243.11389	1.1
249.11613	0.5
251.09563	1.5
253.07428	0.5
253.12964	2.2
255.09039	1.5
256.46637	0.5
257.10641	0.9
258.02786	0.5
259.10104	1.0
261.10065	2.8
263.09451	0.5
265.11203	1.1
269.10654	1.7
271.14200	2.3
273.09964	0.7
277.11127	13.6
277.14206	0.7
283.12112	0.7
285.12317	1.1
291.12701	1.3
293.14197	0.8
295.12109	4.7
300.12625	1.7
301.11731	0.4
303.13318	0.8
307.15860	0.4
313.14752	2.0
319.12601	0.6
331.15796	55.9
332.16232	1.3
347.15311	0.8
349.16864	100.0
350.17279	2.2
354.17401	0.7
367.17911	6.1
371.95911	0.5
372.18481	17.0
373.18729	0.8
476.17654	0.6
609.24530	0.5
623.36060	0.8
627.24243	1.7
659.27234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01873	2.4
55.05532	3.2
57.03437	7.5
57.07087	2.2
61.02922	26.9
67.05503	11.6
69.03423	11.1
69.07082	3.4
69.47021	9.9
70.06602	1.9
71.01378	1.6
71.05011	2.5
73.02908	8.0
77.53960	0.9
78.92236	1.1
79.05488	9.3
81.03416	8.6
81.07053	15.3
83.01399	1.5
83.04978	1.7
83.08644	1.1
85.02900	30.6
88.07663	3.7
91.03967	18.6
91.05476	6.9
93.07041	10.2
95.05016	2.2
95.08611	12.1
97.02887	22.3
97.10194	1.4
98.20702	1.3
99.04497	4.8
101.02410	2.6
102.09216	1.2
103.03996	2.5
105.07092	3.7
107.08627	5.1
107.41747	1.2
109.02927	4.3
109.10224	4.6
111.04486	1.6
115.04007	1.5
117.07069	1.8
119.01089	1.3
119.08632	3.2
121.10130	6.0
123.11784	2.3
127.00199	1.0
127.03904	10.0
131.08636	3.4
133.10202	3.7
135.11769	3.4
145.04958	6.6
145.10210	2.9
147.11752	2.1
149.02383	3.7
149.09692	1.2
149.13344	2.7
159.06544	1.2
159.11739	1.8
161.13260	2.0
173.13399	3.5
183.06683	3.6
187.14925	1.5
193.05078	3.6
201.07718	1.7
219.10535	1.1
238.08325	1.2
243.21272	1.5
256.26505	3.9
257.26770	1.8
261.22131	5.5
271.83157	1.1
275.31897	1.1
331.26382	1.3
335.25800	24.0
335.29272	1.5
344.24924	1.2
349.19150	1.5
351.21252	9.9
361.64200	1.2
363.25708	1.4
367.53659	1.1
385.09460	1.6
402.54761	1.4
429.12326	1.3
443.28583	1.6
659.41571	100.0
660.41730	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.1
55.01852	5.6
55.05502	10.3
57.03200	2.2
57.03440	24.5
59.04980	2.5
61.02925	85.8
67.05501	40.5
69.03427	31.4
69.07056	10.7
70.06560	2.1
70.96944	5.1
71.01342	5.0
71.04983	6.4
73.02917	26.2
74.06056	2.0
75.04457	3.3
79.05488	32.4
81.03413	28.6
81.07054	44.1
83.04939	2.7
83.08601	7.3
85.02902	100.0
85.06536	2.7
87.04460	5.0
91.03412	3.2
91.03953	54.8
91.05476	22.7
93.06478	3.1
93.07037	36.1
95.04962	8.0
95.08601	43.7
97.02888	76.6
97.06526	2.5
99.04461	19.6
101.02371	6.9
103.03941	13.4
105.07014	14.3
107.08582	20.3
109.02870	15.6
109.06460	4.1
109.10123	13.7
111.04444	4.4
115.03912	6.9
117.05498	3.1
117.06986	5.8
119.08567	15.4
121.06443	2.5
121.10134	15.5
123.11690	7.8
127.03915	37.4
129.05472	5.6
129.06950	2.3
131.08536	15.1
133.10129	14.3
135.11679	11.5
139.03880	2.2
143.08560	2.2
145.04964	23.4
145.10097	7.8
147.11691	7.3
149.13258	9.6
155.74379	2.2
157.10123	3.5
159.06528	3.1
159.11708	8.3
161.13240	6.2
163.06039	6.8
163.14839	4.0
165.12685	2.5
171.11678	3.6
173.13252	10.0
175.14827	3.7
177.12666	2.4
183.06546	11.6
185.13261	2.9
185.27054	2.2
187.14821	4.9
201.07582	6.2
209.94173	2.4
243.21208	4.8
244.74159	1.9
248.11539	2.0
259.20679	3.2
261.22141	19.2
275.19943	2.9
303.05728	2.3
321.69391	2.4
335.25781	76.1
363.25397	3.6
377.26581	2.1
385.13062	2.5
400.15149	3.3
413.16196	2.4
429.19122	3.1
435.13312	2.5
437.16058	5.0
441.15234	3.1
443.27927	3.2
456.17114	2.5
461.28543	3.2
479.29971	7.4
480.17938	3.2
483.16147	3.8
493.18686	7.0
495.16525	3.7
498.15106	2.9
512.16779	4.5
521.18250	5.6
525.17181	2.4
539.19086	5.1
540.17401	2.5
553.20502	6.4
571.21674	5.4
572.21979	3.5
581.20343	15.7
582.20477	3.6
599.20996	13.4
600.21045	3.7
613.22827	15.0
614.23499	3.5
627.20844	4.6
641.22546	45.9
641.38635	3.2
642.22247	7.7
659.23743	14.4
659.40991	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09724	2.7
53.03943	5.1
55.05501	12.5
57.03437	24.0
61.02926	83.9
65.03898	2.7
66.27338	2.7
67.05498	41.0
69.03427	29.9
69.07052	14.0
69.39404	14.6
69.39832	13.2
71.01321	3.4
71.05013	5.1
73.02915	28.5
79.05492	24.0
79.08902	2.9
80.79160	2.5
81.03424	22.1
81.07052	41.0
83.04932	2.9
85.02905	100.0
87.04447	3.8
91.03952	54.6
91.04519	3.4
91.05468	19.0
93.07046	30.3
95.04962	8.1
95.08601	33.6
97.02890	78.8
98.20755	5.6
99.04453	11.1
101.02371	8.3
103.03942	6.6
105.07038	14.4
107.08627	15.3
109.02870	16.7
109.10162	15.5
111.04443	5.8
115.03922	5.6
117.07024	6.3
119.08583	9.8
121.09372	3.4
121.10103	14.0
123.11662	6.8
127.03930	36.1
129.05544	4.1
131.08557	9.1
133.10115	9.5
135.11699	13.1
145.04968	21.1
145.10109	8.7
147.11720	5.6
149.13255	5.9
159.06543	3.7
159.11734	8.5
161.13269	4.5
163.05994	7.5
173.13306	8.7
183.06561	7.0
201.07579	5.1
243.21123	4.5
261.22089	14.6
335.25806	56.5
363.25299	4.4
479.30133	6.6
659.40649	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.1
65.03937	2.6
67.05498	4.7
69.03436	3.7
69.07050	2.2
70.06598	5.0
71.03899	2.7
71.04258	4.1
75.08733	1.8
79.05498	6.9
81.03432	4.0
81.05791	3.0
81.07063	6.5
82.06546	1.9
83.05003	2.2
85.02909	6.2
89.03922	2.0
91.05479	6.9
93.07056	4.8
94.06551	12.5
95.04965	5.2
95.07349	4.1
95.08622	4.0
96.08131	11.1
97.02900	2.7
97.06528	3.1
99.04446	1.9
103.05486	3.0
105.07024	3.5
106.06577	3.5
107.08614	3.6
108.04467	4.3
108.08112	20.1
109.02912	2.8
110.09679	12.6
116.04990	7.1
118.06597	2.9
119.08606	2.4
120.04483	6.1
120.08112	13.6
121.02880	2.1
121.10141	2.1
122.06052	9.6
124.07581	17.9
132.04449	1.9
134.06035	7.5
136.07600	17.0
137.05975	3.0
138.09135	17.4
140.93213	1.8
144.04451	12.4
145.06482	2.2
146.06003	8.9
148.07574	6.7
152.07036	3.2
160.03938	4.8
160.07614	2.7
162.05510	7.9
163.03928	3.7
164.07062	5.7
166.08640	18.9
167.07014	2.0
170.09663	2.0
172.03926	42.6
174.05548	4.6
176.07098	7.2
181.04930	1.9
186.09111	1.8
190.04976	31.7
197.10793	3.1
199.08672	3.0
201.10220	1.8
204.06566	66.5
204.08490	3.8
210.09215	2.2
211.08757	3.6
212.09358	4.2
213.10239	7.6
214.11127	2.5
215.11852	3.3
220.64197	1.9
224.09410	2.9
225.10294	7.9
226.08817	2.1
227.08250	4.1
227.11844	7.5
229.13460	2.1
236.09418	4.0
237.10217	5.2
238.11131	2.1
239.11742	2.2
240.08943	2.5
241.09755	9.0
241.13417	2.3
243.11293	20.1
249.10262	4.0
251.07979	2.6
251.11757	3.0
252.08966	2.2
253.09756	7.6
255.11391	5.9
264.08966	6.1
266.60675	2.1
267.11185	3.3
269.09308	4.1
271.10736	5.3
273.12350	9.3
277.09628	3.4
279.11346	5.3
281.09286	3.8
281.12698	2.1
282.10309	2.0
283.10837	8.7
285.12338	30.1
286.12854	1.8
287.05518	5.1
287.10266	13.0
288.05936	2.4
293.09277	3.3
295.10822	2.2
297.12360	11.3
299.10242	10.7
299.13947	7.8
300.10904	2.2
300.15152	2.4
301.11826	4.3
303.13388	37.8
307.10873	3.0
313.11954	7.2
314.12918	2.4
314.16397	3.5
316.10779	2.5
316.14532	2.5
317.15289	2.8
318.16080	3.1
323.10281	7.3
325.11832	31.0
327.13528	5.6
329.11621	2.4
330.12460	3.9
331.13126	2.1
332.13959	2.2
337.11923	2.4
342.12402	2.5
343.12927	13.3
344.13947	5.6
345.14911	3.2
346.15482	5.2
347.16422	2.5
354.54617	1.9
356.13986	2.3
357.14499	12.2
358.15631	8.9
370.11823	5.6
371.12646	4.8
372.13272	6.8
373.13898	15.9
374.14984	5.2
376.16507	2.8
384.13278	2.0
385.14185	5.0
386.14987	18.9
387.15668	6.6
390.17953	3.0
392.16110	2.3
400.16541	3.4
401.13644	3.9
402.14404	3.4
404.16241	11.8
406.17480	6.6
411.12656	2.7
414.14420	19.5
415.15259	33.0
416.15857	4.9
418.17606	3.8
420.15637	3.5
430.17606	4.9
431.50790	2.0
432.15561	19.5
438.16324	2.3
444.15509	4.2
446.16855	3.2
456.15573	7.8
462.16568	22.9
464.18262	2.7
474.16620	69.4
475.16901	2.4
476.18356	4.5
494.19110	2.1
506.19147	13.0
581.23779	4.3
583.25409	5.1
585.23425	13.8
594.99652	1.9
599.24933	6.0
609.23590	16.1
627.24518	100.0
628.24823	4.5
641.25513	2.0
659.26953	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01867	2.1
55.05521	1.2
67.05505	3.3
69.03423	4.0
69.07059	1.3
69.69441	1.1
69.93517	2.5
69.93916	5.8
75.51407	1.1
79.05472	5.4
81.03412	2.7
81.07047	5.3
85.02911	3.0
85.15282	1.1
89.03915	1.9
91.05478	3.9
93.07027	6.9
94.06568	4.3
95.04961	2.7
95.07347	2.4
95.08607	4.2
96.08133	3.2
97.02917	1.2
97.06513	1.8
103.05472	1.2
105.07025	2.4
107.04966	1.4
107.08582	2.2
108.08129	4.4
109.02920	1.3
109.06548	1.1
109.10184	1.5
110.09678	6.5
116.04912	2.6
119.08583	3.7
120.08090	6.9
121.06478	1.8
121.10157	2.6
122.06030	6.6
123.04429	1.7
123.08042	1.7
124.07589	4.8
125.09647	1.6
127.04002	2.7
131.08528	1.6
132.04390	1.6
133.10120	1.4
135.04416	1.7
135.08034	2.1
136.07584	7.7
137.06017	1.6
138.09146	9.0
142.07724	1.2
143.08569	2.1
144.04388	6.0
145.10080	2.2
146.06018	2.6
147.04414	2.2
148.07544	2.0
149.05908	1.7
150.05540	1.9
151.07558	7.2
152.07045	1.4
157.10168	1.7
160.03928	2.5
161.05984	1.9
162.05473	3.4
163.03889	21.9
163.07549	4.2
166.08638	11.3
167.07108	1.6
169.08868	1.4
170.09631	3.7
172.03928	28.3
174.09079	1.4
181.04942	14.2
181.08638	2.1
183.06779	1.8
187.12331	5.9
190.04964	7.6
191.10709	2.2
197.10643	1.4
198.09140	24.2
200.09396	3.6
203.07014	1.6
204.06540	39.4
208.11179	1.8
212.10826	3.0
213.10110	1.7
215.11781	18.8
217.12341	1.2
225.10190	2.3
226.08684	6.4
227.11842	2.3
229.08591	4.4
237.09128	1.8
239.11775	1.5
240.10454	2.0
241.09619	2.0
241.13350	2.8
241.68758	1.2
242.10609	2.6
243.11284	100.0
244.11678	1.5
247.09535	1.5
249.09793	1.2
251.11838	2.0
253.09758	2.0
255.11400	6.0
257.08170	1.4
257.12775	5.3
269.09152	1.5
279.11374	1.8
281.08179	4.0
281.12949	2.3
283.10709	1.6
285.12320	97.9
286.12732	2.3
287.05426	2.1
293.09030	1.2
297.12357	2.6
299.09274	4.5
299.13959	2.2
301.11844	6.4
303.13367	82.4
311.10205	1.5
325.11911	6.7
327.13849	1.2
339.09698	2.6
342.12320	1.4
343.12939	3.9
357.14468	3.2
358.15381	1.3
365.13977	7.0
369.10873	1.6
371.12534	3.3
385.10040	1.7
411.14294	2.4
418.17596	1.3
430.17789	1.4
446.16806	1.5
458.16739	1.3
462.16495	3.3
470.16846	1.7
474.16516	4.3
476.18079	3.0
528.25354	1.2
583.25287	3.1
599.24908	5.4
609.22913	1.6
613.18707	2.3
615.25757	1.5
623.25226	1.7
627.24396	8.5
641.26172	11.6
659.26721	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3751
Annotation	Mauritine J
Peak:m/z	Relative Intensity
55.05499	3.0
67.05501	3.3
67.93928	1.8
69.07079	2.2
71.58548	4.3
78.67797	2.1
79.05479	2.8
81.07061	3.3
93.07039	5.0
99.97251	2.5
107.05015	1.9
107.08608	2.9
119.08530	2.7
155.53387	2.0
211.88797	2.3
315.19272	2.6
333.20358	4.8
349.17526	2.3
355.76242	2.5
365.16721	2.6
374.31693	2.1
446.43945	2.4
517.39551	2.2
552.92981	2.1
639.38025	2.3
657.37836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.96561	2.2
67.05494	2.3
71.58408	1.2
79.05489	1.3
81.07056	1.9
85.02888	0.9
91.05514	1.6
93.07042	1.7
95.04945	0.9
95.86096	1.0
97.06535	0.8
105.07023	1.9
107.08569	1.2
117.07002	0.8
119.01107	0.8
119.08609	0.8
185.23296	0.8
221.27760	0.9
259.33047	0.7
273.19174	0.8
275.20215	1.0
331.18716	1.5
347.15262	1.9
349.19901	9.9
365.20026	3.7
588.33026	1.3
597.19769	1.9
633.53857	0.9
639.37531	2.1
657.39594	100.0
658.39935	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17162	0.7
63.18347	0.7
65.03924	1.0
67.05470	1.0
69.03430	0.9
69.07043	1.0
69.56290	6.0
70.06575	1.4
71.16397	0.7
79.05476	2.0
79.35874	0.8
80.04990	1.0
81.07017	1.2
82.06599	0.8
84.08118	0.7
85.02878	1.0
86.09702	0.8
89.03889	1.4
91.05467	1.5
93.07028	2.8
94.06580	4.1
95.04950	1.4
95.07329	2.1
95.08571	1.0
96.08141	6.0
97.06511	1.2
103.05480	0.7
105.07029	0.9
106.06522	1.6
107.08545	1.2
108.04474	1.9
108.08117	7.6
110.09681	6.9
116.04952	5.1
120.04440	3.2
120.08095	7.9
122.06023	5.1
123.04427	0.8
124.07563	3.2
127.03879	1.2
134.06017	4.1
136.07556	8.7
138.09111	8.1
144.04430	11.1
146.05983	4.3
148.07545	2.5
152.07057	0.9
160.03899	2.3
160.07524	1.2
161.05894	0.9
162.05487	7.0
163.03862	1.9
164.07072	1.1
166.08621	11.5
167.07040	1.3
172.03918	50.1
173.04250	1.7
174.05508	2.5
176.07076	3.7
179.07039	0.8
181.04895	2.1
181.08662	1.0
184.36804	0.8
185.10860	0.9
190.04979	10.1
197.10689	1.4
204.06544	100.0
205.06775	2.2
211.08635	1.9
212.09445	2.7
213.10172	4.3
214.11060	1.0
215.11742	2.5
225.10184	2.0
226.08702	1.6
227.11743	1.6
235.08862	0.8
236.09386	1.0
237.10178	2.5
238.10992	1.4
239.11885	1.7
241.09644	2.8
243.11281	9.6
249.10225	1.5
251.11708	1.1
253.09581	1.3
255.11340	1.7
257.09238	0.9
257.12753	1.6
264.08884	2.0
265.09726	2.6
266.10403	1.2
267.11087	1.2
269.09256	3.0
269.12936	1.0
271.10706	2.0
273.12387	5.6
277.09677	1.3
279.11252	1.8
281.09406	1.0
281.12704	1.6
283.10767	5.1
285.12396	8.7
287.10193	4.8
288.11523	1.1
297.12228	4.7
299.10547	1.6
299.13971	3.0
301.11917	2.5
302.12762	2.7
303.10034	1.7
303.13370	26.5
304.13834	1.4
307.10995	0.9
313.11859	1.2
314.12939	0.9
314.16385	1.7
315.09973	0.9
315.13470	0.8
316.10791	2.2
316.14304	1.5
317.15411	1.1
323.10065	4.7
325.11884	7.7
327.13525	2.8
328.14279	1.4
329.11447	2.5
329.15030	1.2
330.12241	2.2
330.16037	1.0
337.11981	1.0
339.13342	2.3
342.12396	1.3
343.13019	3.4
344.13928	3.1
345.14862	1.0
346.15414	3.1
347.16299	1.2
356.14291	1.1
357.14487	16.5
358.15652	4.5
359.13480	1.1
370.11743	2.2
371.12808	2.8
372.13293	3.0
372.17615	0.9
373.13943	1.8
374.15125	1.8
376.16611	1.5
385.14389	2.9
386.14951	8.4
387.15906	3.9
388.16748	1.6
392.16022	1.3
394.17752	1.3
399.16150	1.0
400.12616	1.4
401.13510	1.3
402.14407	2.4
402.18823	1.0
403.15143	0.8
404.16013	4.9
406.17630	2.5
414.14398	9.8
415.15247	16.5
416.15796	2.3
418.17444	1.8
420.15457	2.2
428.15979	1.9
430.17557	2.3
432.15442	11.3
433.15643	1.3
438.16422	1.8
444.15317	1.4
446.16864	2.4
456.15546	3.4
462.16550	14.1
464.17969	1.1
474.16568	37.6
475.16895	2.9
476.18027	1.8
494.19000	1.6
506.19177	10.9
581.24072	2.5
583.25256	1.7
585.23126	7.4
599.24896	2.8
609.23322	8.0
627.24438	55.9
628.24487	4.2
659.27191	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.01861	9.0
55.05507	12.8
57.03432	24.2
57.07053	3.0
61.02924	80.2
65.03908	2.2
67.05502	34.8
69.03426	35.1
69.07066	12.8
70.78288	6.7
71.01342	5.3
71.04979	6.1
73.02914	29.6
75.04465	3.9
79.05490	33.0
81.03417	28.2
81.07053	32.1
83.04967	6.9
83.08588	3.3
85.02901	100.0
85.06529	2.4
87.04434	2.3
91.03949	58.7
91.05479	44.9
93.07040	42.5
95.04980	11.2
95.08601	24.7
97.02885	78.0
97.06506	6.5
97.10139	2.3
99.04446	11.9
101.02372	8.8
103.03931	9.1
103.05459	3.8
105.07020	40.1
107.04948	4.4
107.08591	23.0
109.02859	11.2
109.06514	6.4
109.10163	11.2
111.04409	4.6
111.08054	2.8
115.03922	5.9
117.05421	4.1
117.07021	16.5
119.08566	31.9
121.06502	5.3
121.10133	21.0
123.04415	3.1
123.08032	3.1
123.11674	2.7
123.55474	2.6
127.03912	27.3
128.06232	4.6
129.05441	5.1
129.06943	12.8
129.81686	2.0
130.07776	2.6
131.08572	22.6
133.04887	2.1
133.06476	3.4
133.10107	21.0
134.06027	2.4
135.08058	3.5
135.11681	11.1
137.05986	2.9
143.08517	12.6
145.04950	15.3
145.05951	2.2
145.06502	2.2
145.10127	21.0
147.08075	3.1
147.11662	17.1
149.05948	2.4
149.09576	2.3
149.13229	4.8
152.07082	4.1
155.08525	6.4
157.10094	12.5
159.08092	3.3
159.11638	15.6
160.09862	2.2
161.09653	3.5
161.13196	10.8
163.03877	2.6
163.06020	6.1
163.07462	5.0
163.14764	2.8
165.07043	3.0
167.08542	3.5
169.10095	6.9
171.08134	2.2
171.11694	11.6
173.09529	3.1
173.13203	11.0
175.14825	4.0
177.12679	2.7
179.03429	2.7
181.08672	2.1
181.10191	2.8
183.11766	3.9
185.09697	3.6
185.13203	11.9
187.14827	2.4
195.11678	3.5
197.13213	4.3
199.14848	4.7
201.16428	2.5
213.12694	2.4
213.16347	2.6
223.11134	2.1
225.10245	2.3
231.21031	2.9
237.10255	4.3
239.11925	2.8
239.14211	2.3
241.19531	8.6
251.11925	2.4
257.19049	3.6
259.20569	17.3
267.11514	2.6
270.10062	2.7
271.20450	2.8
277.21503	3.3
283.20532	2.5
285.12338	7.1
297.12030	2.7
299.19824	2.6
301.21674	11.5
307.10620	2.4
313.21603	4.7
315.23270	2.9
325.21573	3.4
331.22830	2.4
333.24179	30.5
339.23187	2.4
343.22763	3.0
349.21570	3.8
357.24396	2.9
361.23621	2.5
367.22754	10.1
375.25162	7.1
385.23364	3.7
403.24707	3.4
417.26114	6.1
441.26288	13.6
459.27148	11.1
477.28177	8.8
495.29288	9.8
579.22009	3.4
581.23474	3.1
597.23138	6.1
607.21490	4.4
625.22827	12.1
657.25262	7.6
657.43146	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.1
55.01849	7.5
55.05508	15.5
57.03189	2.4
57.03434	27.4
57.07077	2.3
59.65290	2.0
61.02923	91.5
67.05502	32.5
67.72617	1.7
69.03423	39.5
69.07064	13.9
69.91420	1.9
70.33238	1.6
71.01339	6.9
71.04974	5.5
72.27092	1.9
73.02906	31.3
79.05486	43.0
81.03410	21.5
81.07052	37.6
83.04953	8.4
83.08601	6.3
85.02897	100.0
87.04469	3.3
91.03946	64.7
91.05470	45.3
93.06472	3.0
93.07031	40.4
95.01296	1.8
95.04949	11.2
95.08595	24.2
97.02882	82.8
97.03526	4.4
97.06526	3.4
97.10146	3.3
99.04451	12.5
101.02354	8.1
103.03933	12.1
105.07025	45.0
107.04935	7.8
107.08585	23.8
109.02873	11.6
109.06493	4.2
109.10138	8.3
111.04420	6.3
111.08098	3.7
115.03911	7.5
115.05450	4.7
117.07020	18.3
119.08569	34.3
121.06496	3.3
121.10133	21.8
123.11726	2.7
127.03905	30.5
128.06171	3.4
129.05481	4.5
129.06996	14.5
131.08560	24.9
133.06468	3.7
133.09232	2.6
133.10124	25.2
135.08034	5.2
135.11678	14.8
137.05943	3.0
137.09526	2.1
141.06953	6.4
142.07745	3.4
143.08549	11.5
145.04935	20.4
145.06467	3.4
145.10110	24.9
147.08069	3.0
147.11678	18.4
148.58372	2.0
149.09628	2.9
149.13219	8.6
155.08528	8.3
157.10138	11.3
159.06654	1.9
159.08002	2.2
159.11674	16.9
161.09596	3.4
161.13228	10.9
163.06013	4.9
163.11221	3.2
163.14818	3.5
165.07065	2.5
165.48676	2.0
167.08504	2.2
168.09476	1.9
169.10121	7.3
171.11688	16.4
173.09604	2.8
173.13245	8.8
175.11256	2.4
175.14787	4.9
177.12694	2.0
181.10124	4.7
183.06538	3.9
183.11705	5.5
185.09546	3.0
185.13249	8.9
187.11208	2.5
187.14804	3.1
189.12796	3.3
193.10187	2.3
195.11726	3.3
197.13213	3.5
199.14771	4.7
201.12766	2.7
203.14204	3.1
207.11584	1.8
209.13400	1.9
211.14795	2.5
215.14256	2.5
223.14764	2.7
231.21112	2.9
241.19505	7.5
257.18945	3.3
259.20535	18.2
269.18933	2.1
273.22086	2.4
275.20166	3.0
277.21603	2.9
283.20569	2.7
295.20251	2.5
301.21475	9.4
307.20483	2.7
313.21558	4.8
315.23071	4.3
325.21616	2.9
331.22784	2.2
333.24234	35.3
337.21399	1.9
339.23224	2.4
349.21332	3.0
361.23911	2.7
367.22617	6.6
375.25238	5.3
385.23706	4.4
403.24588	3.4
417.26416	5.2
429.26459	3.3
441.26407	16.7
459.27158	8.9
477.28275	12.7
495.29153	6.8
567.77100	2.2
607.21313	2.5
625.22321	2.0
657.33990	4.9
657.43896	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05079	4.2
70.75925	5.3
70.84145	8.6
70.84491	10.1
76.48584	5.0
84.02650	4.5
126.09113	4.5
146.09625	5.7
208.17966	4.3
230.35222	4.6
310.31302	5.3
337.15421	6.1
363.16431	6.7
364.17108	6.3
365.17520	5.0
377.17691	5.2
379.19080	7.4
392.20721	5.8
393.21024	6.1
405.20746	8.8
408.19217	6.7
409.20215	11.5
421.19907	11.1
422.21109	6.2
423.21851	28.5
431.18784	5.7
435.21649	15.1
437.23749	9.1
451.21152	8.2
454.19608	5.7
461.23575	11.3
463.21490	6.9
464.22156	7.2
465.22702	10.8
467.24142	6.5
477.22781	10.4
479.24005	15.4
481.22147	8.6
493.22281	11.4
494.26541	7.6
495.24017	21.1
496.24323	12.5
508.24823	22.9
509.25220	16.4
510.26221	17.7
511.27118	28.0
521.25574	13.3
523.23553	5.0
537.24622	29.9
538.25598	18.1
553.27728	15.3
565.24408	5.5
580.71399	5.2
581.27472	36.3
582.27814	5.1
583.25873	9.7
597.27191	67.5
598.27344	17.8
613.30206	79.5
614.30847	5.6
625.26569	100.0
635.30823	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.1
95.75483	1.7
98.21613	3.4
106.06608	2.0
128.09895	1.8
141.60765	1.9
142.58659	2.0
172.11227	2.4
235.12364	2.3
237.13885	2.7
261.13947	2.9
288.16006	2.5
289.16077	2.2
302.16733	2.1
314.16550	2.4
318.15887	2.0
338.16843	2.5
349.14932	2.2
352.17743	2.5
358.16483	1.9
364.17242	2.8
365.18048	3.7
366.19125	3.0
375.16156	3.0
376.16934	3.5
377.17657	4.8
378.19031	2.6
379.19058	7.5
389.17987	2.1
391.18988	7.1
392.20294	2.5
393.16837	5.2
394.18042	3.3
395.18195	3.8
405.16479	2.2
405.21194	4.1
406.21750	3.1
407.18530	7.5
407.22940	4.8
408.19174	6.1
409.20270	7.1
419.18417	3.6
419.23254	2.4
420.19250	2.8
421.20148	7.3
422.20874	6.5
423.21875	27.3
431.17960	2.1
432.19427	3.0
435.22156	9.1
436.22305	7.4
437.23056	7.0
442.20920	3.2
445.20444	3.0
447.22162	2.6
449.23517	6.0
450.24036	4.1
451.20752	9.7
452.21375	3.1
454.20212	6.6
461.23834	10.9
462.20996	2.3
463.21204	7.3
464.21921	2.8
465.22800	8.0
466.23926	2.4
467.24124	6.7
468.24722	6.1
477.22537	8.4
478.23392	5.3
479.25320	11.1
480.21280	2.5
481.22092	4.0
493.21393	11.1
494.27261	10.0
495.23358	19.4
496.24573	8.4
497.24347	2.8
504.24249	2.3
505.21838	2.3
507.24023	3.8
508.24677	20.3
509.26050	16.4
510.26389	15.9
511.27454	19.1
516.24969	4.1
521.26019	9.4
522.26239	5.8
523.23492	8.4
525.28503	4.3
526.28613	3.9
537.25006	29.9
538.25842	16.9
551.22473	3.8
553.28461	15.9
555.25726	4.3
565.24481	5.7
566.25360	2.9
570.28485	8.9
581.27509	37.6
582.27032	3.3
583.25586	9.7
597.27045	61.8
598.27625	15.1
607.24774	2.7
613.30139	84.2
614.30060	3.7
625.26489	100.0
626.26270	6.0
657.28912	4.5
667.89008	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67389	0.4
53.54084	0.3
58.92718	0.3
60.08154	0.5
65.03932	0.4
67.05484	1.6
69.03419	3.1
69.33923	0.4
71.57773	0.6
77.03902	0.4
78.91067	0.3
79.05482	3.0
79.64630	0.4
81.03432	0.9
81.07050	1.0
83.00947	0.3
83.48630	0.3
84.10283	0.4
85.02875	0.9
86.09695	1.1
89.03901	0.5
91.05493	1.8
93.07044	1.1
95.01338	0.6
95.04949	1.2
95.08558	0.8
97.02805	0.5
104.10741	1.4
105.07049	0.9
107.04974	2.0
107.08576	1.1
109.02882	0.4
109.06527	0.5
109.10081	0.6
117.06975	0.5
119.04915	0.5
119.08569	1.0
121.06492	0.4
121.10151	0.7
123.04412	1.4
124.99975	0.8
133.06517	0.7
133.10117	0.4
135.04427	0.8
135.11795	0.5
137.06003	0.8
137.70741	0.4
139.03871	0.5
139.17387	0.4
145.02835	1.0
145.10110	0.6
147.04379	0.5
147.08025	1.0
155.08629	0.5
157.03320	0.4
161.02342	0.6
161.05963	0.7
163.03899	100.0
164.04219	3.0
165.04381	0.8
167.07030	0.4
171.04436	0.6
173.05859	0.4
175.07602	1.0
178.07631	0.4
179.03404	1.7
181.04965	11.8
184.07353	0.9
185.05888	0.5
189.01848	0.5
192.04230	2.3
199.30269	0.4
202.14453	0.4
203.07050	4.7
205.04961	1.1
211.07550	0.4
213.05499	1.1
225.09218	0.5
229.08582	2.3
239.07057	1.3
263.07095	0.8
279.06476	0.6
281.08072	43.8
282.08459	2.3
283.08713	0.8
297.12485	0.4
299.09119	13.3
300.09311	0.8
301.09290	0.5
307.05994	0.4
311.05502	0.4
317.10373	2.0
325.07126	3.7
329.06470	1.0
383.11124	2.4
391.11649	0.5
397.68402	0.4
405.22034	0.4
409.12958	2.8
435.23132	0.8
463.10214	2.5
479.94562	0.4
495.25531	3.3
501.15390	5.7
519.16248	1.2
537.53455	0.4
657.30969	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67389	0.4
53.54084	0.3
58.92718	0.3
60.08154	0.5
65.03932	0.4
67.05484	1.6
69.03419	3.1
69.33923	0.4
71.57773	0.6
77.03902	0.4
78.91067	0.3
79.05482	3.0
79.64630	0.4
81.03432	0.9
81.07050	1.0
83.00947	0.3
83.48630	0.3
84.10283	0.4
85.02875	0.9
86.09695	1.1
89.03901	0.5
91.05493	1.8
93.07044	1.1
95.01338	0.6
95.04949	1.2
95.08558	0.8
97.02805	0.5
104.10741	1.4
105.07049	0.9
107.04974	2.0
107.08576	1.1
109.02882	0.4
109.06527	0.5
109.10081	0.6
117.06975	0.5
119.04915	0.5
119.08569	1.0
121.06492	0.4
121.10151	0.7
123.04412	1.4
124.99975	0.8
133.06517	0.7
133.10117	0.4
135.04427	0.8
135.11795	0.5
137.06003	0.8
137.70741	0.4
139.03871	0.5
139.17387	0.4
145.02835	1.0
145.10110	0.6
147.04379	0.5
147.08025	1.0
155.08629	0.5
157.03320	0.4
161.02342	0.6
161.05963	0.7
163.03899	100.0
164.04219	3.0
165.04381	0.8
167.07030	0.4
171.04436	0.6
173.05859	0.4
175.07602	1.0
178.07631	0.4
179.03404	1.7
181.04965	11.8
184.07353	0.9
185.05888	0.5
189.01848	0.5
192.04230	2.3
199.30269	0.4
202.14453	0.4
203.07050	4.7
205.04961	1.1
211.07550	0.4
213.05499	1.1
225.09218	0.5
229.08582	2.3
239.07057	1.3
263.07095	0.8
279.06476	0.6
281.08072	43.8
282.08459	2.3
283.08713	0.8
297.12485	0.4
299.09119	13.3
300.09311	0.8
301.09290	0.5
307.05994	0.4
311.05502	0.4
317.10373	2.0
325.07126	3.7
329.06470	1.0
383.11124	2.4
391.11649	0.5
397.68402	0.4
405.22034	0.4
409.12958	2.8
435.23132	0.8
463.10214	2.5
479.94562	0.4
495.25531	3.3
501.15390	5.7
519.16248	1.2
537.53455	0.4
657.30969	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64164	0.4
56.42125	0.4
64.44486	0.4
67.05494	1.0
69.03429	2.7
70.18499	2.1
76.65665	0.5
77.03953	0.4
79.05488	2.2
81.03382	0.7
81.07053	0.8
85.02872	0.6
89.03912	0.6
91.05464	1.5
93.07032	0.8
95.04955	1.0
105.07028	0.5
107.04940	1.7
107.08549	0.7
108.62183	0.4
117.06965	0.4
119.08603	0.9
121.10065	0.4
123.04346	1.9
125.47949	0.4
129.07013	0.5
131.08543	0.4
133.10036	0.5
135.04446	0.4
139.27930	0.5
145.02753	0.9
147.08005	0.8
147.11642	0.6
160.05238	0.7
161.06029	0.5
163.03893	100.0
164.04196	0.9
179.06792	0.5
181.04959	9.8
191.40068	0.4
192.02602	0.4
192.04121	2.5
203.06984	4.3
205.04958	1.4
213.05411	1.0
225.09039	0.5
229.08589	2.7
239.06909	0.9
252.59297	0.4
253.08539	0.4
263.07098	0.5
279.06445	0.4
281.08063	48.5
282.08408	0.5
299.05786	0.9
299.09125	13.7
317.10181	1.5
325.07080	2.9
339.12305	0.6
343.08160	0.9
383.11267	2.8
409.12756	3.5
463.10056	1.6
501.15384	7.0
519.16248	1.3
562.73096	0.5
640.94238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	0.7
69.03411	1.8
70.06581	1.3
71.57551	0.9
81.03405	2.9
85.02895	4.0
86.62645	0.7
95.04980	1.0
97.02894	1.5
98.97592	0.9
105.27764	0.7
107.04920	0.7
121.02885	1.2
122.06010	7.8
123.06802	2.2
127.03903	2.2
135.04445	0.7
137.02325	14.8
138.02744	0.7
140.06995	0.9
150.09132	100.0
151.09406	0.9
158.07964	0.6
163.03911	5.6
171.27438	0.8
177.05403	0.6
178.08621	70.3
179.08928	1.5
196.09631	9.0
197.26413	0.6
203.03403	0.8
280.12033	0.7
322.12900	2.3
340.13913	12.9
366.23972	0.7
394.06375	1.0
420.07898	0.7
421.05423	3.0
422.05896	5.4
464.06879	1.5
476.15503	3.1
494.16525	81.5
495.16757	4.1
592.17920	0.7
656.21497	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15712	1.0
55.05504	5.6
57.03429	4.5
57.07075	42.7
59.61438	1.2
61.02920	7.8
65.72035	1.3
67.05500	9.9
69.07074	8.9
69.27842	1.3
69.95463	4.1
71.08238	1.8
71.08630	32.4
73.02917	3.3
75.04489	3.0
79.05467	1.2
81.07056	14.4
83.08614	11.1
85.02905	9.9
85.03396	1.5
85.10178	15.8
91.03939	8.8
95.08604	27.9
97.02887	4.2
97.10143	6.6
98.20838	1.7
103.07576	1.1
109.10135	12.3
123.11681	5.3
125.13234	1.9
127.03864	3.0
136.75644	1.0
137.13239	2.2
145.04968	4.2
163.06049	5.5
221.22664	2.1
239.23689	30.1
257.24728	3.3
313.27350	100.0
331.28503	12.1
430.77017	1.2
475.33008	2.5
489.22830	1.6
491.46738	1.4
549.25677	1.4
562.21448	1.4
577.24255	15.2
637.26324	4.0
655.27374	4.8
655.38092	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75945	1.1
53.03947	1.1
54.66294	1.1
55.05512	4.6
57.03438	3.4
57.07076	37.9
61.02934	13.1
67.05505	10.8
69.07072	7.6
70.40392	1.1
71.08241	1.7
71.08632	32.3
73.02911	5.1
75.04498	2.2
75.11646	1.2
79.05495	2.1
81.07055	15.4
81.07469	1.6
83.08610	9.3
85.02904	14.3
85.10178	18.8
91.03962	11.5
93.07067	1.8
95.08607	24.4
97.02906	6.4
97.10165	5.6
103.64484	1.1
109.10159	10.9
111.11758	1.6
116.67039	1.0
123.11758	4.3
127.03934	4.4
129.47267	1.0
137.13312	2.4
137.40022	1.1
145.04987	7.7
151.14882	1.5
157.93634	1.0
161.17720	1.2
163.06038	9.7
179.59772	1.1
188.97284	1.2
221.22681	1.6
229.57069	1.3
239.23680	36.3
257.24829	4.4
281.08832	1.0
313.27368	100.0
331.28442	17.4
374.17307	1.2
390.18677	1.3
391.19577	1.3
393.20605	1.3
403.19077	1.5
405.16876	2.7
407.22305	2.8
419.18857	3.2
420.08606	1.2
421.20474	1.5
433.20325	3.6
434.21219	3.0
435.22305	3.1
462.20700	1.7
463.21469	2.5
491.21085	1.4
521.25562	4.9
549.25281	5.4
559.99695	1.4
564.23627	1.3
577.24493	4.2
581.27026	1.6
591.26917	1.1
595.25653	3.2
609.27612	2.1
619.26038	2.9
619.79822	1.5
630.97107	1.2
637.26422	9.1
655.27716	58.2
655.38293	5.8
656.28082	4.9
657.33691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20778	1.2
55.05510	1.4
56.96303	1.5
56.96563	21.0
67.05501	2.0
69.07043	1.9
69.86075	6.9
79.05481	2.3
80.14542	1.2
81.07037	1.7
91.05443	2.4
93.07074	1.9
98.21524	1.2
105.07034	6.0
120.05113	1.2
122.55646	1.6
128.98615	2.5
129.06937	1.6
146.99660	2.4
147.03381	1.3
155.03764	1.5
159.03212	1.9
163.03996	1.9
163.07520	1.4
165.00737	2.0
165.05556	1.4
171.03331	3.0
173.04904	1.7
181.05344	1.5
185.04863	2.1
189.04359	4.6
189.44414	1.3
199.06424	3.4
203.05922	4.7
204.04749	1.5
212.06099	1.3
217.07497	6.6
219.09081	1.6
223.02783	2.4
227.05907	3.2
229.07501	3.3
237.07944	1.6
243.08986	1.7
245.06917	2.2
247.08571	2.6
251.09341	1.5
255.09029	3.1
269.10571	2.4
273.10153	2.7
276.08838	2.0
287.11563	1.9
311.13342	1.7
313.50867	1.3
329.14172	22.2
347.15295	62.4
353.18347	1.7
365.16360	100.0
366.16714	3.0
370.16791	5.9
383.17371	6.1
388.17908	18.6
655.35272	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66705	1.3
55.05505	15.1
57.07074	19.1
69.03389	1.6
71.04991	3.0
71.58761	2.4
79.05527	2.0
81.07061	1.5
83.04980	84.6
91.05473	5.3
95.04980	4.5
98.98479	4.2
100.11259	3.1
105.07041	3.5
119.08578	3.8
128.06267	5.1
129.07004	11.8
131.08534	1.8
133.10150	3.1
141.07022	4.0
145.06564	1.8
147.08029	7.5
147.11681	9.5
151.01578	4.8
157.07578	1.8
159.08054	3.6
175.01558	42.9
181.02600	64.4
187.01630	2.4
199.03679	4.1
203.71860	1.6
227.04660	22.1
239.04639	2.0
257.05740	6.4
283.10840	7.2
293.70581	1.6
304.46237	2.1
313.11975	40.4
331.12979	2.9
337.02563	1.7
347.22031	4.5
369.18231	28.0
407.58908	1.5
487.12823	7.9
506.43384	1.7
543.19073	65.4
585.26898	2.9
599.25317	100.0
600.25299	3.6
655.31311	34.2
655.41510	41.7
670.95135	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.2
57.07063	10.3
59.56060	2.2
60.07881	2.3
67.05501	6.3
69.24704	28.1
69.41932	2.4
71.04994	2.6
79.05457	2.9
81.07047	5.4
83.04980	37.3
91.05476	7.2
93.07037	5.5
95.08572	3.6
105.07035	4.6
129.07024	4.8
131.08603	4.2
133.10233	2.7
147.08025	3.1
147.11787	5.8
175.01559	15.0
181.02600	28.4
199.03714	3.5
227.04709	13.0
304.17706	3.0
313.11978	17.5
363.21378	24.8
369.18289	8.6
392.99960	2.7
407.22501	5.4
429.91614	2.7
433.20508	5.8
434.21191	3.9
435.21671	10.9
447.22266	3.4
449.19510	3.3
463.21280	5.9
475.20999	3.9
508.24493	5.0
521.25409	18.7
543.18994	20.1
549.24921	32.0
563.25800	5.8
581.27356	4.6
595.28748	11.3
599.25183	34.4
609.26727	19.4
623.25671	4.4
655.29608	100.0
655.39404	14.5
656.31512	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70749	4.0
62.79679	3.4
75.06559	3.5
98.20786	8.7
281.15863	3.9
418.18793	5.4
447.22052	6.6
460.24576	4.0
461.19260	4.8
475.21368	17.2
476.22186	6.3
477.22513	5.1
518.45593	4.4
535.23468	10.2
563.26270	9.0
594.28748	5.2
595.25641	7.7
622.27777	100.0
623.25385	7.6
637.26843	6.9
655.27228	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2757
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05502	0.6
55.87551	0.4
57.07075	0.6
60.47773	0.5
67.05492	0.7
69.38622	2.0
69.39050	2.7
72.63894	0.5
74.40955	0.5
79.05490	1.2
81.07041	1.2
83.08618	0.9
91.05459	0.5
93.07017	0.6
94.60487	0.5
95.04949	0.6
95.08617	0.7
97.10149	0.6
98.21532	1.0
105.07028	0.8
105.11385	0.4
107.08620	0.7
109.10974	0.4
128.77240	0.5
133.10114	0.7
152.25581	0.5
178.43901	0.6
223.12456	0.5
239.23724	1.1
313.16669	0.5
313.27426	1.9
319.73181	0.5
363.17215	0.5
377.17670	0.8
379.19250	0.7
389.17520	0.6
390.18774	0.9
391.14853	0.8
391.19366	3.0
392.19919	0.7
393.20807	1.1
403.19763	0.7
404.16370	0.6
405.16721	3.7
405.21680	0.8
406.17630	1.0
407.22568	5.3
417.16776	0.7
418.17856	1.7
419.18378	7.2
420.19611	2.1
421.20258	2.0
421.80573	0.5
431.18930	1.0
432.19632	0.9
433.20422	12.3
434.21210	5.6
435.21838	6.2
438.20795	0.5
445.20486	0.7
447.17905	1.9
447.22562	1.4
447.27032	0.5
448.18698	0.8
449.19965	1.8
461.19147	0.9
461.24103	1.0
462.20261	3.8
463.21606	3.7
464.21841	0.6
465.19238	1.7
475.21292	1.5
479.20404	1.0
490.19553	1.2
491.20819	0.9
493.22430	1.6
507.19556	0.6
507.24075	0.5
508.21320	0.7
517.22620	0.6
520.24689	1.6
521.25684	9.3
523.40369	0.5
549.24902	12.1
552.24243	1.0
565.24463	1.4
577.24457	8.6
579.22345	0.5
580.26892	1.3
581.27576	1.9
595.25610	5.6
601.21088	0.5
609.27222	2.4
637.26630	7.7
655.27600	100.0
655.37244	4.8
656.27887	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05521	1.0
59.15521	1.0
67.01851	1.7
67.05483	2.3
67.82513	1.0
69.07095	0.9
71.28469	2.0
77.03925	2.3
79.05480	3.2
81.03400	1.4
81.07048	1.0
91.05492	5.4
93.07021	2.0
95.01285	0.8
95.04944	1.9
95.08589	1.2
98.21434	0.8
105.03385	3.8
105.06995	1.5
107.04923	2.6
107.08607	1.6
109.06539	1.1
109.10126	0.9
117.06971	1.7
119.04865	1.3
119.08574	2.9
121.02850	0.9
123.04464	5.4
133.02838	2.8
137.02274	2.1
147.04295	1.1
147.08032	3.1
149.02321	3.9
151.03865	4.1
159.39102	1.1
160.05156	2.3
161.02335	100.0
162.02632	1.3
163.03903	4.6
163.07507	1.7
165.05444	1.2
167.03410	17.8
175.07513	3.8
177.01836	16.6
179.03386	34.0
183.08121	0.9
188.04651	1.3
189.01828	2.3
189.05450	1.5
192.04114	10.8
203.07024	34.8
205.04947	6.5
211.07475	1.1
227.07063	2.6
229.08592	9.2
244.98520	1.0
245.08072	2.0
255.06491	1.2
267.06436	2.8
295.06009	8.8
297.07547	16.8
313.07031	3.0
315.08484	2.6
341.06662	4.6
341.10260	1.7
365.10165	1.6
381.09613	1.8
399.10559	1.0
407.11151	1.3
425.12598	1.4
467.65845	1.0
499.13757	4.5
517.14923	32.1
518.15143	1.7
526.04840	1.0
535.15271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57997	0.3
52.69103	0.2
53.03941	0.4
55.01866	0.6
55.05493	0.7
60.49604	0.3
65.03944	0.3
67.05489	1.0
68.99786	1.8
69.03430	2.3
71.22461	0.3
71.37685	0.4
71.38015	0.4
79.05497	2.6
81.03406	0.9
81.07048	1.1
82.71767	0.2
85.02893	0.4
89.03883	0.6
91.05470	1.5
93.07046	0.7
95.01335	0.9
95.04989	1.4
97.02900	0.4
97.06499	0.5
97.10199	0.3
105.03380	0.5
105.07019	0.8
107.04953	2.5
107.08593	1.1
109.06492	0.4
109.10177	0.4
115.05440	0.5
119.04920	0.7
119.08588	0.6
121.06457	0.3
121.10144	0.4
121.93362	0.3
123.04440	2.7
128.06187	0.3
129.06969	0.3
131.08582	0.4
133.06432	0.4
133.10120	0.3
135.04407	0.8
137.02357	0.8
137.05998	0.4
145.02823	1.0
145.10109	0.5
147.04402	1.1
147.08035	0.3
149.02377	0.4
149.06042	0.4
153.01921	0.3
155.08490	0.4
159.04430	0.6
161.02354	5.1
161.05969	0.8
163.03899	100.0
164.04218	0.8
165.05467	0.5
165.06984	0.7
167.03459	1.8
167.07007	0.3
167.08482	0.3
171.04399	0.6
173.05969	0.6
175.03998	0.6
177.01846	1.0
177.09175	0.4
178.07860	0.3
179.03395	2.9
179.08646	0.4
181.04944	5.6
183.08046	0.5
184.89592	0.2
185.06020	0.6
187.03940	0.5
187.07634	0.5
189.01811	0.4
192.04170	0.6
197.06003	0.5
201.05310	0.3
203.03432	3.2
203.07062	1.5
205.05000	0.4
205.08601	0.5
207.08112	0.5
211.07542	1.2
213.05414	1.6
223.07562	0.3
225.09135	1.0
227.07056	1.2
229.08542	2.2
231.02864	2.4
235.07443	0.4
237.09140	0.8
239.07004	2.5
245.04561	0.5
247.09546	0.3
251.07030	0.4
253.04776	0.4
253.08568	0.5
255.10046	0.3
257.04544	0.6
263.07068	1.5
267.06479	0.5
279.06430	0.6
281.08078	49.5
282.08444	1.3
293.06552	0.8
295.05997	1.5
296.06744	0.7
297.03949	0.4
297.07480	1.1
299.09143	16.5
307.06073	0.6
311.09189	0.8
317.10477	0.4
323.05557	2.6
337.10898	0.4
341.06714	0.6
345.07529	0.5
347.12656	0.9
361.10513	0.3
363.08286	0.5
363.12238	1.2
365.13889	4.4
381.09851	0.6
389.10202	0.5
391.08139	0.3
407.18524	0.7
409.09134	0.5
415.08194	0.9
421.05356	0.4
422.36450	0.3
431.11221	0.4
461.08676	8.0
462.09174	0.5
473.12149	0.9
479.09464	0.4
493.23886	1.3
499.13440	0.5
501.11389	0.6
517.15088	1.5
527.12903	0.7
591.16315	0.6
593.17224	0.3
609.17499	1.1
637.16791	2.0
655.17615	0.5
655.29132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31404	0.3
53.03934	0.7
55.01869	0.5
55.05499	1.7
56.05025	0.7
56.48684	0.4
57.03426	1.0
58.06602	0.8
61.02925	0.8
65.03938	0.6
67.01839	0.4
67.05502	3.6
69.03423	3.4
69.07050	1.0
70.06253	0.5
70.06596	6.3
71.01334	0.4
71.04965	0.9
71.57964	0.7
73.02898	0.7
78.25759	0.4
79.05478	1.3
81.03419	2.7
81.07052	3.8
83.04959	1.1
83.08595	0.6
84.08147	0.9
85.02901	4.5
85.06487	0.4
86.09637	0.4
87.04478	0.4
91.05466	1.1
93.07037	1.9
95.04959	0.6
95.08615	3.8
96.08105	0.6
97.02884	1.9
98.09685	2.2
99.04437	0.6
105.03372	0.4
105.07024	1.0
107.04937	0.7
107.08592	1.0
109.02886	2.2
109.10141	1.3
110.09689	0.5
111.04418	0.6
113.17210	0.4
119.08592	1.7
121.02850	0.9
121.10182	0.8
123.04420	0.6
123.08063	0.4
127.03922	1.5
133.10139	0.7
135.04434	0.6
137.02351	12.1
137.03424	1.4
145.02786	0.5
145.04965	0.5
147.04396	1.5
153.01854	0.7
155.72066	0.4
158.99644	0.4
161.02348	0.7
161.05969	1.5
163.03899	1.7
166.11429	0.4
173.13240	0.6
175.03949	1.2
175.14798	0.7
177.05313	0.4
187.03848	0.8
191.03307	0.7
199.03931	0.8
203.03380	11.0
207.02820	2.6
207.13702	0.5
215.03409	3.4
225.01851	1.7
227.03404	1.3
227.28934	0.4
235.07527	0.7
239.03270	0.7
243.02879	6.0
248.23749	0.4
250.25328	4.0
251.25584	0.9
252.23219	5.3
253.23514	1.6
263.07132	1.4
269.04517	0.7
271.02396	1.0
273.05551	1.0
276.23227	4.4
277.23676	1.0
287.05441	2.0
289.03418	2.7
291.06540	2.1
294.24258	3.2
295.24792	1.1
301.04987	0.9
305.02863	0.5
309.07507	0.5
312.25516	1.8
313.03696	0.6
313.07605	0.4
319.06009	2.1
327.04919	0.7
329.04453	0.6
337.06979	1.1
347.05496	1.6
361.07147	0.7
363.08810	1.1
365.06616	2.6
375.05148	1.2
388.17432	0.5
389.06567	3.0
389.14792	0.7
392.05411	0.6
393.06039	29.9
403.04489	1.4
417.06012	0.9
419.07553	8.4
421.05527	100.0
422.05698	2.3
435.07086	1.9
438.28821	0.6
445.05548	7.0
456.29407	1.9
457.30002	0.8
463.06586	25.8
474.30594	14.2
475.30988	5.2
481.07455	2.5
492.31851	3.7
493.31976	2.1
654.36914	19.6
655.19446	0.7
655.37366	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
65.03931	0.3
67.01862	0.6
67.05493	0.6
69.03427	0.3
70.06586	0.7
71.24919	0.5
71.25264	0.2
73.02899	0.2
75.41596	0.2
79.05497	0.2
81.03409	0.8
83.04968	1.0
85.02888	0.8
86.09698	0.3
87.70115	0.2
87.83382	0.2
89.07180	0.3
93.03401	0.4
95.04976	0.4
97.02880	0.4
107.04944	0.3
109.02886	0.6
111.03114	0.2
111.04428	0.5
115.05415	0.4
121.02853	0.9
123.04427	0.4
125.85921	0.2
127.03900	0.7
133.02777	0.3
135.04430	0.4
137.02339	12.2
137.03419	1.2
147.04366	1.7
149.02310	0.4
153.01840	0.5
155.04938	0.3
159.04346	0.3
161.02374	0.8
161.05983	1.3
163.03922	1.4
165.85889	0.2
171.04407	0.3
173.02332	0.3
175.03886	0.8
177.05537	0.3
185.02292	0.2
187.03896	0.9
189.05402	0.3
189.06927	0.3
191.03333	0.3
197.02357	0.3
199.03880	0.4
201.05492	0.3
203.03383	12.8
207.02876	2.8
207.08014	0.3
211.03952	0.2
213.05507	0.4
213.12483	0.2
215.03378	3.6
217.04889	0.3
219.02823	0.7
221.04501	0.2
223.03871	0.2
223.80051	0.2
225.01715	1.4
227.03415	1.3
229.04942	0.4
230.02075	0.2
235.07555	0.6
239.03455	0.6
241.01378	0.4
243.02893	6.4
245.06058	0.5
253.05042	0.5
257.04449	0.4
259.07483	0.4
263.07019	1.6
269.04431	0.3
271.02435	1.6
273.05420	0.8
281.04257	0.5
285.03839	0.3
287.05347	1.9
289.03394	3.6
291.06519	2.3
301.04907	1.0
309.07526	0.6
313.03537	0.4
315.06439	0.6
319.05978	2.8
319.09277	0.4
333.07318	0.4
337.03278	0.3
337.07101	0.8
343.05856	0.4
347.05481	2.1
361.07040	0.5
363.08658	0.7
365.06525	2.2
371.05371	0.3
375.05038	1.4
376.05801	0.5
389.06583	2.5
392.05222	0.6
393.06027	28.6
394.06314	0.7
399.04193	0.3
403.04520	0.9
417.06223	0.5
419.07571	9.5
421.05515	100.0
422.05783	2.3
435.07080	1.5
437.08582	0.2
445.05521	5.9
463.06573	21.1
464.07190	0.5
481.07605	3.3
654.36572	0.5
655.19495	0.4
655.37524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.9
55.05501	7.4
66.98000	1.9
67.05506	13.8
69.07070	14.7
69.78590	2.0
74.06079	2.6
79.05489	12.1
81.03424	10.0
81.07062	15.7
83.04984	7.2
83.08611	4.5
88.80118	1.9
91.05489	14.2
92.07098	2.2
93.07040	16.7
95.04955	6.7
95.08596	13.6
97.06551	6.0
97.10142	3.5
105.07032	9.6
107.04954	34.6
107.08594	9.7
109.06513	3.2
109.10148	5.2
111.04469	2.8
117.07030	3.2
119.08563	8.5
121.06514	3.4
121.10145	7.2
123.08056	2.1
125.09650	2.4
131.08635	9.1
133.06586	2.9
133.10126	5.7
135.08031	9.2
135.11665	2.1
137.09637	3.5
139.11200	2.3
143.08556	2.8
145.10120	6.7
147.08040	3.6
147.11691	2.9
149.09593	18.7
157.10141	4.7
159.11703	4.0
161.09526	3.3
163.11143	2.6
173.09708	2.1
173.11693	2.1
175.11157	3.9
177.12675	2.2
205.48656	1.8
245.18962	2.9
273.18539	15.1
275.20074	7.3
291.19528	100.0
292.20004	2.9
309.20657	7.7
330.30124	5.3
623.25201	3.2
673.74646	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.33481	0.5
54.04243	0.6
54.34023	0.5
55.01861	2.0
55.05514	3.6
56.05027	2.4
57.03428	3.8
57.07074	0.6
58.06604	1.4
59.93106	0.5
61.02941	3.7
64.79252	0.6
67.05500	7.9
69.03430	14.0
69.07076	3.4
70.06591	7.7
71.04990	2.7
72.08152	1.5
73.02916	3.1
74.06087	3.3
79.05499	4.7
81.03418	7.6
81.07053	10.4
82.06602	0.9
83.04985	0.9
83.08630	1.7
84.08138	4.3
85.02902	34.7
86.03610	0.6
86.06047	1.5
86.09682	0.8
87.00833	1.3
87.04465	2.0
91.03955	1.0
91.05470	3.3
93.07050	4.3
95.04969	2.0
95.08602	7.5
96.08110	1.8
97.02888	11.9
97.10187	0.8
98.09699	3.4
98.20697	1.4
99.04433	3.2
101.02378	0.9
103.03946	0.9
103.05479	1.0
105.01910	0.8
105.07037	2.7
107.04962	1.9
107.08589	2.9
109.02868	6.5
109.06520	0.6
109.10163	2.2
110.09706	0.9
115.03951	1.1
115.05461	0.8
117.06998	0.9
119.04931	1.3
119.08591	1.5
119.99234	0.6
121.10125	1.4
123.04465	1.2
123.08092	0.7
127.03917	10.3
127.04806	0.8
129.07036	2.0
131.04961	0.9
133.06467	1.1
133.10123	0.7
135.11661	1.2
145.04968	3.0
145.06346	0.5
145.10124	0.8
147.04465	1.7
147.08076	0.7
151.03918	1.3
151.07564	0.7
152.04474	1.0
154.08647	0.7
159.02975	0.9
159.08086	1.1
161.05992	2.4
163.03918	1.4
167.07039	28.6
167.34711	0.6
168.07445	1.5
173.05931	0.6
175.07532	6.3
176.10754	0.6
179.07092	2.6
181.04918	0.6
187.07518	5.8
191.07129	3.0
193.08615	1.0
193.83827	0.8
199.07584	1.4
206.07574	0.6
212.16451	0.6
217.08652	0.8
229.22855	0.6
234.06767	1.0
248.23712	1.6
249.09177	1.5
250.25293	30.1
252.23213	13.7
261.09140	0.9
268.26337	18.5
270.24268	2.8
272.08676	0.6
276.23215	6.6
277.08731	0.8
281.11807	2.5
283.09937	0.6
289.08609	1.4
292.22757	1.0
294.24313	7.0
309.11087	2.7
312.25314	26.3
321.11179	1.7
326.11496	1.0
330.26373	56.3
331.26773	1.8
341.13867	12.5
342.14246	1.1
353.13901	4.6
359.14896	1.7
361.34149	0.6
371.15005	1.3
372.14877	0.6
372.27554	1.6
438.28683	1.3
456.29562	4.5
474.30710	11.8
492.31790	8.7
636.36121	1.2
654.36871	100.0
655.37085	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01852	1.7
55.05516	3.2
56.05030	1.8
57.03441	3.7
58.06589	1.2
61.02933	3.6
67.05510	6.7
69.03429	15.2
69.07069	2.6
69.86107	2.1
69.86518	2.0
70.06590	11.8
71.01395	0.6
71.05004	2.3
72.08154	1.3
73.02917	2.7
74.06090	1.0
77.73779	0.7
79.05485	3.3
81.03413	7.1
81.07049	8.4
82.06602	0.8
83.01363	0.7
83.08626	0.8
84.08156	2.9
85.02903	32.4
86.06075	0.9
87.04474	2.4
91.03976	1.0
91.05484	2.1
93.07056	3.0
95.04955	0.8
95.08606	7.5
96.08147	2.3
97.02895	11.8
97.03510	0.7
97.06504	0.9
97.32313	0.7
98.09697	3.9
98.20817	0.8
99.04471	2.7
101.02451	1.0
105.07030	1.4
107.08585	1.4
109.02869	6.2
109.10159	3.1
110.09702	1.4
114.09177	0.8
119.08598	1.6
121.02882	0.8
121.10179	2.0
127.03907	6.5
130.62311	0.6
133.10109	1.0
135.11749	1.3
145.02832	0.7
145.04964	3.9
145.10150	0.7
147.04427	1.3
182.81181	0.5
212.74527	0.6
222.22345	0.9
248.23799	1.7
250.21555	1.1
250.25294	26.0
250.27878	1.3
252.23209	15.4
268.26321	8.8
270.24362	1.9
276.23257	6.4
294.24234	6.7
303.05002	0.8
310.24399	0.7
312.25323	34.1
323.05551	1.3
330.26367	37.3
331.26596	1.1
362.10269	0.9
384.27652	0.8
438.28452	1.1
456.29581	4.8
465.53757	0.7
474.30728	10.2
492.31647	12.4
636.35693	2.8
654.36877	100.0
655.37439	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.2
55.01865	7.2
55.05502	2.9
57.03422	8.1
60.09503	2.6
61.02925	5.5
65.03933	2.8
68.99810	4.0
69.03080	2.5
69.03429	26.4
69.07034	3.4
70.06583	6.7
71.04988	5.6
71.08772	4.6
71.58264	2.3
73.02916	6.9
79.05472	6.3
81.03420	33.5
81.07050	7.8
85.02901	63.7
86.06075	2.7
87.00835	22.3
88.03693	2.3
90.40295	2.3
91.03937	3.2
91.05470	6.5
93.07047	5.2
94.04159	3.1
95.04951	6.5
95.08593	3.3
97.02877	23.0
97.06602	3.1
99.04452	10.2
103.05450	7.0
105.01861	16.0
105.07020	3.3
107.04950	9.6
108.04453	6.8
109.02887	26.0
109.06499	3.5
109.10145	4.6
111.04442	3.9
114.12797	7.8
115.05467	13.0
117.07018	15.5
119.04922	3.3
122.03640	4.8
123.04414	10.0
123.11665	2.9
127.03913	36.2
129.01833	4.0
129.07002	10.8
131.04927	6.5
131.08592	4.6
133.10059	2.7
135.04419	3.9
137.05975	89.4
143.04927	12.2
144.05608	3.0
145.04984	14.9
145.06494	29.2
147.04411	6.2
147.08049	3.9
149.06024	3.1
151.07568	4.3
155.06026	4.1
156.05649	6.6
157.06476	5.8
159.02887	13.9
159.08040	7.3
160.05208	17.2
161.05949	8.3
163.03920	11.7
163.07478	2.4
167.07053	43.2
172.05177	3.2
173.05983	46.0
174.06729	4.7
175.07542	100.0
176.07924	4.1
177.05466	3.0
177.09113	2.6
187.07541	43.7
189.09155	8.0
190.06242	21.0
193.08592	2.6
202.06140	4.4
203.07011	9.6
205.08592	98.8
206.09010	2.7
217.05188	2.5
217.08586	41.0
219.10199	3.7
219.83893	2.4
231.04910	5.6
235.07475	3.0
235.09618	48.7
239.07225	5.8
241.08537	4.8
247.07474	2.9
247.09659	10.9
248.07784	3.7
249.09050	5.6
257.08093	24.3
261.09161	4.5
265.10724	36.8
277.08560	3.5
278.09396	3.8
279.06677	2.8
281.11575	2.6
285.07596	9.9
289.08817	2.7
293.11517	5.1
300.09909	10.8
301.10574	6.5
307.09573	3.7
313.14474	11.5
321.11194	6.6
323.09164	2.7
326.11679	3.7
330.26477	2.9
338.11325	2.8
341.13812	11.6
353.13876	17.5
355.59369	2.8
371.14975	39.6
532.83032	2.5
654.35748	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58582	4.1
73.08125	3.0
101.81084	3.5
129.68658	2.6
196.10013	3.3
391.19058	10.7
392.19958	5.2
405.20688	16.4
406.21548	14.3
419.22449	5.0
420.22836	10.0
421.23834	13.5
433.19937	5.8
434.24405	3.7
449.19589	3.9
450.20248	7.4
465.22894	54.3
473.19415	7.4
475.24850	3.7
479.24484	9.8
480.24930	6.9
488.22012	10.4
492.21124	5.9
503.24362	71.0
504.24219	4.5
533.25452	3.7
535.19287	2.4
535.26953	54.6
551.26355	7.0
561.26117	4.2
579.25952	55.7
594.28424	40.4
621.27051	35.2
653.29657	100.0
654.29675	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2968
Annotation	Haplophytine
Peak:m/z	Relative Intensity
57.86920	0.8
61.20990	0.8
68.11311	0.8
70.93785	1.6
70.94112	1.0
77.62122	0.9
127.58310	1.0
165.56363	1.2
224.93867	1.0
389.17636	1.3
390.18710	1.6
401.17725	1.1
402.19012	1.1
403.19467	2.6
404.20038	3.5
405.20752	10.2
406.21301	1.4
417.20969	1.7
418.21350	1.6
419.22601	7.7
420.23196	2.9
431.22354	1.6
432.23187	1.1
433.24216	5.3
434.24591	2.4
447.21579	2.6
448.26617	1.0
449.19733	4.2
450.20523	1.9
463.21069	4.3
464.22083	2.9
465.22815	2.6
473.20193	1.0
475.21185	1.8
476.21503	1.2
477.23108	2.7
478.23541	2.6
479.24478	26.5
487.21268	3.8
491.25098	1.9
492.25223	1.3
501.22794	3.3
502.23724	2.0
507.20401	1.6
507.27655	15.0
519.23798	1.6
533.25616	3.2
534.26196	1.3
537.25092	8.2
551.26556	26.2
551.35101	1.7
552.27344	1.2
561.25061	6.8
565.28070	14.8
566.28876	100.0
567.29315	7.5
575.26251	1.6
593.27502	13.4
594.28088	1.4
621.26929	19.2
625.30371	1.5
635.28717	3.1
653.29688	73.3
654.29999	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	19.3
67.05510	42.2
69.07071	37.7
70.28936	12.4
70.29331	11.8
71.04992	11.0
79.05482	48.1
81.03442	9.2
81.07034	32.4
83.05007	8.4
83.08633	6.6
91.05480	24.7
91.24610	5.5
93.07037	37.5
95.04952	15.2
95.08627	20.1
97.06543	6.3
97.10189	5.7
105.07038	29.0
107.04948	17.7
107.08604	27.9
119.08587	22.2
121.10139	22.2
131.08592	6.8
133.10120	20.0
134.65477	5.1
135.08031	10.7
139.11177	10.9
145.10197	9.6
147.11673	13.5
149.09625	10.5
173.11845	6.5
173.13260	6.5
203.12822	10.9
220.35675	5.8
237.14845	13.6
257.18954	7.0
275.20053	100.0
293.21136	89.7
307.22687	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01869	6.5
55.05511	7.4
55.83678	0.9
57.03421	1.6
65.03923	1.1
67.05504	15.9
69.03439	1.7
69.07063	18.9
70.97139	2.2
71.04984	2.8
72.04724	0.8
79.05486	18.2
79.05914	1.7
81.03412	11.4
81.07045	15.0
83.04980	9.5
83.08607	3.0
91.05472	14.4
93.07033	22.0
95.04968	8.3
95.08604	16.4
97.06528	9.1
97.10195	2.4
99.04441	3.0
105.07026	11.7
107.04947	47.1
107.08588	11.4
108.05281	0.9
109.06520	2.7
109.10144	8.2
111.04440	6.8
111.08063	1.3
117.07009	4.7
119.08572	11.4
121.06501	4.6
121.10139	6.9
123.08025	5.1
125.09604	3.1
129.07011	3.6
131.08534	8.1
133.06497	2.7
133.10107	5.1
135.08043	11.9
135.11696	2.9
137.06064	0.8
137.09644	6.0
139.11188	2.5
143.08562	3.9
145.10129	5.3
147.08040	3.1
147.11699	3.7
149.09615	24.5
149.13264	2.0
151.07494	2.7
153.09102	3.9
157.10120	4.4
159.08058	1.2
159.11736	4.5
161.09610	5.9
163.11185	3.2
165.09073	2.3
167.10710	1.6
167.14450	1.0
169.10080	1.3
171.11705	2.9
173.09613	1.4
173.11748	2.8
175.11174	7.4
177.12682	2.3
179.10660	2.2
183.10144	1.1
185.13321	1.5
187.11165	1.4
189.12776	1.4
193.12267	1.9
195.13820	3.9
199.11319	0.9
203.10703	1.4
203.12743	1.8
205.11974	1.4
217.12103	1.1
221.11713	1.9
227.17938	1.3
235.13292	2.7
237.16370	1.1
245.19017	3.5
249.14732	1.8
255.17413	1.5
263.20010	3.2
271.16745	1.3
273.18484	22.5
274.18649	1.1
275.20224	1.4
289.17990	2.3
291.19528	100.0
292.19818	2.2
305.72443	0.9
309.20615	7.1
563.37854	1.3
581.38147	2.8
599.39886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2807
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
51.86962	5.0
60.46739	5.6
69.65411	41.0
102.48981	5.8
109.71117	6.2
144.13898	5.4
155.75366	6.6
176.49420	5.4
189.39461	5.3
415.18988	6.3
437.60788	5.5
443.57474	6.5
499.20917	9.0
531.24084	18.2
559.23389	100.0
587.23047	14.1
619.25470	82.9
651.27649	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.5
55.01866	16.0
55.05510	37.4
57.03430	7.7
59.05003	3.7
59.27488	3.0
61.02906	3.1
61.47591	2.8
62.42941	3.1
65.03952	6.4
67.05508	75.5
69.03426	27.6
69.07067	28.6
71.04992	9.0
71.58414	4.2
73.02917	3.5
78.22221	3.5
79.05493	50.2
81.03416	47.7
81.07047	49.4
83.04977	14.2
83.08612	14.4
83.51528	2.8
85.02910	21.9
85.06540	5.1
91.05478	49.2
92.54719	3.4
93.07043	52.4
95.04949	20.3
95.08605	50.0
97.02900	23.8
97.06535	5.9
97.10162	29.5
99.04449	13.4
105.03403	6.2
105.07024	45.1
107.04943	14.0
107.08576	31.8
109.02875	100.0
109.06524	10.0
109.10159	51.0
111.04425	10.1
115.05464	4.8
117.07008	25.4
119.04972	7.0
119.08578	38.6
121.06500	5.5
121.10140	33.0
123.04416	30.2
123.08044	8.2
123.11739	5.6
125.09643	19.4
127.03913	41.3
129.05522	3.7
129.06990	10.1
131.04929	9.8
131.08557	30.5
133.02841	6.3
133.06490	11.0
133.10138	30.2
135.04459	5.2
135.08073	10.0
135.11685	9.5
137.06015	3.9
137.09625	16.6
139.11172	16.1
141.07021	4.5
143.08574	9.2
145.04965	4.5
145.06493	6.6
145.10068	20.8
147.04443	6.6
147.08037	10.6
147.11694	15.0
149.09619	8.7
151.03961	3.5
151.07564	3.7
151.11237	4.3
154.08627	4.2
155.10632	4.9
157.06473	3.4
157.10129	11.5
159.08096	6.9
159.11685	14.1
161.02351	21.6
161.05959	24.3
161.09612	6.5
161.13249	4.4
163.03899	15.3
163.07591	8.7
163.11143	9.0
165.09122	7.2
167.10693	3.1
169.10164	8.5
171.08052	6.7
171.11720	9.7
173.09642	6.5
173.11758	14.5
173.13231	6.7
175.11188	9.9
179.03387	76.9
179.10831	3.3
183.11723	7.5
185.09689	6.0
185.13174	3.8
186.66331	3.4
187.11205	6.5
189.11180	27.0
191.10684	4.5
197.13263	4.7
199.11278	7.9
201.09093	5.0
201.12782	7.2
203.10706	13.4
203.12794	22.8
212.16447	5.5
217.12230	4.7
219.13797	5.2
227.06987	9.1
229.04958	7.4
235.17110	3.8
239.18016	9.8
253.04646	3.9
257.19095	10.9
273.18497	7.7
273.64786	3.6
275.20059	76.5
277.21725	4.6
279.06564	29.5
281.04477	3.8
293.21085	76.5
293.24283	5.9
297.07657	14.0
307.22629	5.2
317.21088	4.2
329.07895	4.8
335.22049	5.9
365.20929	8.4
369.07364	6.3
373.24048	4.1
383.22253	20.0
401.23270	17.5
402.16855	4.5
419.24210	13.6
437.25287	9.0
459.07098	3.4
505.19418	13.0
512.79620	4.5
531.12756	4.2
653.16071	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
54.84863	3.4
56.96559	4.7
67.05491	5.9
68.52008	3.6
69.89917	25.4
70.06596	4.7
85.02911	9.5
91.05481	12.8
93.03441	7.8
93.07089	4.3
95.02583	3.8
95.04965	38.1
97.02913	4.4
100.57987	4.4
103.05474	7.6
105.07054	14.4
105.15277	3.5
106.04177	14.7
107.04967	13.7
111.04424	3.8
119.04845	3.9
121.06462	19.0
123.04433	58.1
131.04927	4.7
133.06479	14.9
135.04425	8.1
137.05948	11.0
138.50223	3.8
140.04684	11.2
147.04552	4.4
149.05977	30.5
151.07555	4.9
153.09108	5.6
155.07004	33.1
161.05980	21.6
162.54820	3.8
163.03947	21.9
164.04379	5.1
167.07031	37.8
177.05492	21.6
179.03429	4.4
179.07027	4.3
181.08647	17.2
183.06552	51.3
193.08591	46.3
195.06502	23.6
209.08105	100.0
225.07643	23.3
227.09146	3.7
237.02795	6.0
399.64233	5.0
506.88757	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.6
57.57632	3.1
67.05493	11.2
69.03423	6.0
69.07059	9.8
69.65866	3.1
79.05476	9.7
81.03397	6.2
81.07039	13.8
85.02904	11.3
85.06532	4.4
91.05479	8.1
91.46721	3.5
93.07039	7.3
94.06557	3.9
95.04935	5.6
95.08607	16.2
97.02892	6.2
97.06541	3.9
98.20793	9.4
105.07014	10.0
106.06532	3.3
107.05013	3.7
107.08566	7.3
109.02836	4.9
109.10168	9.6
110.06048	3.3
119.08578	7.0
121.06548	4.0
121.10143	7.9
122.06030	11.4
123.04420	5.9
123.11723	5.2
124.07568	38.8
127.03905	6.4
131.08580	5.5
133.10110	5.7
136.07558	7.6
138.07652	2.9
140.07097	4.8
145.10100	4.5
146.05998	13.4
147.04388	3.5
148.07593	9.4
152.07025	4.1
162.05486	4.4
162.09113	3.6
163.03889	7.3
163.07524	12.6
164.07002	3.6
166.06564	3.4
166.08641	4.6
171.74648	2.9
172.03955	7.8
173.04655	3.5
174.05528	10.3
176.07091	9.3
180.10208	5.1
181.08644	7.7
183.11824	4.3
194.82979	3.2
197.10617	3.6
198.09172	3.1
204.06514	16.3
206.08179	5.3
208.09709	9.4
214.08804	4.6
215.11931	3.2
216.12260	3.5
216.64932	3.6
217.45215	3.6
225.10133	7.9
236.34692	3.7
237.10289	4.9
239.11824	6.1
241.09746	5.0
242.08163	4.4
243.11311	14.0
248.09454	4.0
249.10312	10.4
250.10896	5.1
251.11768	7.0
253.09685	6.1
253.13298	4.9
259.10828	9.6
261.10141	3.2
263.11813	10.3
265.13330	5.1
267.11334	6.3
269.12711	9.4
271.14471	5.1
276.95236	3.3
279.11255	6.1
283.10754	6.7
285.12292	16.9
287.10428	4.6
295.10873	5.6
297.12332	21.5
299.10147	3.4
303.13406	35.4
304.13962	6.3
309.12357	14.7
314.16205	3.3
315.13474	16.7
317.11783	3.5
318.16010	4.2
325.14471	4.7
327.13358	5.2
329.14984	4.2
337.11792	5.8
346.15332	3.2
347.16180	4.4
355.12888	13.7
360.17032	6.8
369.14404	5.6
370.15704	3.8
372.13403	7.8
374.15057	4.0
386.15076	9.9
387.15524	58.0
388.16580	6.6
401.11072	3.9
404.15866	5.4
406.17590	6.4
414.14545	7.9
415.14923	19.8
416.16083	25.8
430.17633	11.0
434.16827	6.6
435.18054	3.5
442.19507	16.6
446.17203	5.2
447.17825	3.9
448.18213	5.3
456.15552	4.9
458.17197	4.1
463.27585	3.4
474.16650	37.8
475.17355	23.5
476.17908	10.4
478.19815	4.6
490.19608	6.5
494.19073	9.3
496.20923	8.8
506.19135	17.0
508.20761	27.9
524.20142	14.3
581.23621	8.1
599.24969	100.0
617.25500	7.4
649.28174	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00978	1.6
53.03951	2.0
53.79685	1.5
55.05513	1.6
67.05499	1.9
68.05013	1.7
69.03417	2.5
69.07071	4.6
70.83268	5.3
74.47886	1.6
79.05541	2.2
81.05795	1.7
81.07057	4.5
84.04516	1.7
85.02890	3.4
85.07674	3.7
89.03920	1.7
91.05463	3.6
93.07047	3.0
94.06524	2.2
95.05021	1.8
95.08611	4.8
96.08121	3.8
105.07034	3.1
107.08595	3.0
107.50524	1.4
108.65217	1.6
109.10191	1.6
118.06541	1.6
119.08608	3.9
121.10144	1.8
122.06055	5.0
124.07586	62.9
124.08494	3.6
127.03931	1.9
133.10114	1.8
134.05989	2.5
135.04305	1.7
144.04428	3.9
146.05991	16.6
147.04352	1.6
147.06773	1.6
148.07607	5.4
160.07581	1.7
162.05531	2.1
162.09216	2.0
163.03899	2.1
163.07593	5.0
166.08687	2.6
167.07089	2.0
170.09805	1.8
172.03922	20.0
173.04666	2.8
174.05511	18.0
176.07072	12.4
181.08583	2.4
188.07079	2.7
190.05048	3.1
191.05759	6.4
192.06502	3.8
197.10782	2.5
199.08653	3.3
200.09456	2.6
204.06567	33.1
206.08095	12.9
208.09698	1.6
211.08757	3.4
213.10254	4.1
215.11816	4.8
225.10214	6.5
226.11034	2.4
227.11879	2.7
237.10249	4.8
239.11812	4.0
241.09798	3.6
243.11304	26.0
244.69344	1.7
249.10226	2.3
250.10728	2.1
251.11877	2.4
255.11313	2.5
256.12149	2.0
259.10846	3.3
263.11652	1.9
264.08817	2.3
265.09738	4.8
266.10544	2.5
267.11346	3.0
269.12830	11.3
270.10104	1.6
271.10773	2.9
271.14447	3.9
273.12253	1.9
277.09900	2.1
279.11292	3.9
281.12698	2.4
283.10806	5.5
284.11334	2.9
285.12329	22.6
287.10367	5.7
297.12338	33.6
298.12900	3.3
299.10449	2.9
299.13510	2.6
301.11893	7.1
303.13388	69.5
304.14221	2.7
309.12143	1.8
311.13901	1.9
313.11823	1.8
315.13434	19.5
316.10919	2.3
317.14941	2.0
318.16061	4.8
319.16754	3.1
323.10129	3.4
325.11810	2.0
329.11606	1.8
329.15112	12.4
330.12323	4.4
330.15891	2.1
331.13367	2.7
332.13638	3.0
337.11652	2.8
344.13840	3.7
345.14777	4.2
346.15518	6.4
347.16327	4.7
347.69894	1.7
355.12878	4.8
358.15659	3.7
360.16998	4.3
370.11520	3.4
370.15695	2.7
371.12457	3.6
372.13101	8.1
373.14279	5.4
374.14999	6.6
385.14163	1.6
386.14938	11.8
387.15601	16.1
388.16434	6.0
390.18317	2.5
396.13766	2.1
401.13168	2.5
402.18430	2.4
404.15961	6.2
405.16678	2.6
406.17606	6.8
412.16602	1.8
414.14362	11.3
415.15179	21.4
416.16043	27.3
418.17725	3.7
428.15750	2.2
429.16504	3.1
430.17703	5.2
431.18436	1.8
432.15378	4.8
433.16333	5.2
434.17047	7.8
438.14566	2.5
442.19614	4.5
446.16916	8.6
447.17685	3.5
448.18564	2.2
456.15378	6.0
458.16937	4.5
470.66232	1.8
474.16522	38.2
475.17371	24.4
476.18210	8.0
490.19562	3.8
494.19302	2.5
506.19073	5.3
507.19803	2.8
508.20593	7.1
526.21790	2.4
557.23682	4.6
581.23932	12.3
599.24957	100.0
600.25153	4.1
617.25610	3.8
631.27594	4.8
649.28009	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	7.8
55.01853	14.6
55.05508	62.5
59.14695	6.6
60.73135	7.0
67.05504	57.0
69.03432	14.0
69.07063	78.2
75.06952	7.3
77.03911	7.7
79.05487	64.8
81.03410	13.1
81.07056	100.0
83.04980	26.2
83.08605	21.0
91.05478	33.9
91.64973	7.3
93.07040	67.4
95.04951	20.5
95.08628	45.4
97.06532	33.1
97.10167	35.6
98.20734	21.0
99.24029	7.2
103.05464	10.6
105.07040	22.3
107.04957	9.8
107.08592	18.7
109.10150	22.9
111.04428	9.2
115.05466	8.4
119.08568	20.7
121.10139	63.4
123.04420	69.2
123.08042	10.8
123.80521	7.3
125.09589	14.6
131.04961	9.4
131.08566	18.2
133.10138	18.0
134.89543	9.3
135.04427	7.5
137.02347	34.0
137.67097	7.9
139.11165	58.0
145.10162	12.5
147.04414	40.0
149.05989	11.5
149.09595	12.6
155.08586	10.3
155.22536	8.6
161.05971	17.2
163.03931	15.4
165.05478	10.3
173.05960	12.6
175.03966	12.1
177.05499	21.4
177.09041	10.3
181.06433	9.2
193.10063	9.2
195.08031	8.3
198.06639	10.5
199.07552	11.2
203.12755	30.0
209.09705	28.5
210.06833	13.2
211.07646	24.2
213.05585	13.6
213.09094	18.5
219.08138	9.8
221.06091	10.9
223.07579	13.1
225.09155	35.7
227.07077	13.4
227.10762	36.2
228.11392	11.2
239.06812	11.0
239.10727	26.7
247.07608	11.2
249.09152	15.5
251.10719	8.2
253.08575	11.7
256.08905	9.1
257.11874	10.2
263.06827	15.1
263.10767	15.2
264.80954	8.2
265.12076	9.6
267.10056	16.9
273.09119	10.1
275.06967	10.2
279.06482	60.2
287.07013	15.4
289.08856	7.3
291.10153	17.8
292.07367	10.7
293.08157	15.0
301.08289	9.4
303.06500	17.0
305.08200	14.6
311.10791	12.9
313.08826	12.3
317.07977	16.1
319.09738	11.0
331.05972	31.7
333.07681	13.0
339.09991	12.6
343.09839	11.6
349.06989	51.9
353.08044	10.6
365.11612	9.7
367.09177	9.9
373.14316	13.8
377.06580	14.7
383.12613	10.6
385.10510	14.2
387.11874	9.4
393.20892	10.2
399.12534	9.6
401.13821	58.2
414.91910	8.4
419.14560	12.3
429.13406	22.1
447.14203	28.2
475.21152	29.7
493.22092	10.6
521.22833	16.6
539.24097	16.7
549.22595	26.5
567.23865	52.1
585.24878	58.6
595.23041	16.6
603.25421	12.6
613.24341	21.5
631.25616	18.6
639.24072	10.7
649.26489	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01855	3.7
55.05486	3.1
57.03431	4.5
65.03945	2.2
67.05482	2.7
68.99780	2.5
69.03421	15.2
69.07077	2.4
70.06562	3.3
71.04993	2.5
71.31841	3.7
76.02221	5.4
79.05497	10.9
81.03419	23.1
81.07052	3.9
84.04481	2.3
85.02908	22.6
87.00822	6.9
91.05471	6.3
93.07022	3.1
95.04978	4.3
96.62125	2.1
97.02890	8.0
99.04451	3.9
105.07019	7.4
107.04948	24.0
107.08565	2.3
107.66077	1.9
109.02875	13.0
109.06490	2.3
113.05978	3.7
115.05453	4.4
117.07055	2.0
118.04203	2.4
121.06472	4.1
123.04408	7.3
124.05196	4.5
125.06001	3.8
125.15138	2.0
127.03919	16.5
128.06213	2.1
129.07013	4.2
131.08531	3.5
133.06488	7.9
133.10194	2.0
135.04422	2.3
136.07581	2.8
137.05980	4.2
140.07080	3.4
141.06923	2.0
143.08528	2.6
144.05672	2.5
145.06482	5.1
147.08057	3.0
151.03838	2.3
151.07574	3.6
156.05666	2.9
157.06424	2.6
159.02927	4.1
159.08047	8.7
161.05969	8.9
163.03908	3.8
163.07564	6.5
167.07042	100.0
171.08061	3.4
173.05949	5.5
179.07062	5.3
181.04999	4.1
181.07164	2.2
181.08575	12.6
187.07532	6.7
189.09096	3.7
190.06236	4.3
193.08652	7.1
196.05258	2.1
202.06181	2.6
202.43138	1.9
203.06973	3.5
205.06725	3.8
205.08592	25.2
205.26462	2.3
207.06523	6.4
207.10184	3.3
211.07486	3.1
216.93390	2.1
217.08566	16.6
219.08180	4.9
219.10170	6.0
231.10179	9.2
233.05988	2.8
235.09666	3.1
238.06213	3.5
247.07474	4.7
247.09706	5.7
248.08266	4.6
254.05731	2.2
257.08133	2.8
261.09091	2.3
269.08035	3.8
271.09662	8.8
277.08630	2.1
278.09357	2.6
282.08801	3.7
284.06406	2.4
290.09421	3.3
291.06525	2.6
291.10071	5.0
293.08221	4.1
295.09930	2.2
299.09253	4.1
308.10397	3.3
315.08661	10.4
323.09134	3.1
323.12772	5.2
330.10971	16.0
331.11777	15.0
337.10593	4.0
339.12213	2.8
343.11948	10.1
351.12357	10.1
353.13974	4.2
368.12396	3.3
369.13483	3.2
370.14334	3.3
371.14993	2.2
383.14868	16.9
385.16565	25.7
395.15097	2.7
401.16095	19.7
411.14273	6.8
413.16019	2.7
431.16684	3.2
589.35535	2.4
596.66742	2.6
617.26050	2.6
631.20764	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94453	6.6
57.08002	6.4
57.71549	6.5
60.65468	6.7
71.43990	6.5
71.56700	10.3
71.57068	10.3
84.36349	6.8
85.02905	17.3
98.97585	12.3
107.04974	8.4
113.67462	7.2
116.98636	9.3
124.13491	6.7
127.86588	7.8
192.48788	9.2
202.89136	15.0
213.76666	7.0
219.01808	9.5
237.02979	9.5
245.00131	7.9
272.06561	7.8
306.89935	7.5
307.08572	8.0
369.98148	7.8
393.43762	6.9
441.22980	8.7
487.06107	10.6
589.21790	8.6
649.11487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01872	18.1
55.05519	16.6
57.03445	17.1
58.99586	16.4
65.03940	4.6
67.05171	4.8
67.05502	54.1
69.03423	10.1
69.07071	12.4
69.50936	11.6
69.51359	8.9
70.02942	7.1
70.06589	4.6
71.04991	3.8
76.02227	53.2
76.04005	5.6
79.05483	24.1
80.05009	4.7
81.03428	13.4
81.07059	21.4
83.04999	6.3
83.06097	5.7
83.08619	11.2
84.04488	20.1
84.08149	3.7
85.02901	13.3
85.06536	4.8
86.00647	3.2
86.09757	3.5
86.99065	7.1
88.02232	3.0
91.05479	19.0
93.05772	2.6
93.07028	21.4
94.06512	2.8
95.04969	23.4
95.08592	23.2
97.01127	6.2
97.02883	8.3
97.06541	12.5
97.10172	8.7
99.04413	2.9
99.05552	6.2
105.07041	15.4
107.04955	17.2
107.06102	3.2
107.08586	13.8
108.08118	2.8
109.02896	8.4
109.06499	15.6
109.07635	6.5
109.10157	29.2
111.08110	3.4
112.02175	3.2
113.00567	6.1
113.06010	11.6
116.01673	23.5
117.07032	7.7
118.06532	5.7
119.08528	12.6
120.08099	4.9
121.06521	10.8
121.08881	4.7
121.10145	4.5
122.09698	4.2
123.04431	8.7
123.08068	59.1
125.04154	2.7
125.09663	10.5
126.03760	3.8
127.03918	6.7
129.06596	5.0
130.04997	11.5
131.08548	3.7
132.08041	2.9
133.06468	8.3
133.10146	5.7
135.02661	2.8
135.08049	11.4
136.02237	2.6
137.04218	4.4
137.09599	7.5
138.03740	7.4
139.02119	2.8
139.05606	3.0
139.07532	3.0
140.05305	3.3
142.03178	6.8
143.02705	2.9
143.08580	4.3
144.01152	9.7
145.06062	28.8
146.09657	4.2
147.08054	3.6
149.05978	18.8
150.03754	3.7
151.07542	15.0
152.05263	3.2
153.03709	4.5
153.06624	5.8
153.09084	3.5
154.06853	8.8
155.08209	6.0
159.08005	4.1
161.06001	6.4
162.02187	26.5
164.05281	18.5
165.06081	3.0
166.06880	8.9
167.07040	31.3
167.08461	3.8
170.02765	2.8
173.09618	2.9
173.11731	16.9
175.07562	6.2
177.03476	7.9
178.06805	5.9
179.04846	43.4
180.08406	8.8
185.03819	12.5
187.05338	4.5
189.11205	4.3
193.06834	3.7
199.07179	4.0
203.05197	3.9
205.08569	4.9
208.07925	9.9
215.04854	4.8
221.07463	4.6
221.09338	4.9
231.04376	21.2
233.05898	19.8
236.07504	4.5
236.23657	3.1
243.11192	2.8
245.05791	2.8
261.64664	3.0
263.11121	3.7
266.12210	3.3
267.07971	80.7
267.10754	5.3
268.08505	3.6
274.10620	3.3
277.18024	5.2
281.09531	15.1
283.11069	6.3
285.09003	4.5
287.16418	12.2
301.12442	4.5
303.13330	2.7
305.17468	54.9
307.18851	2.6
308.09134	37.7
311.10522	9.5
315.08563	3.4
319.13681	16.2
321.15109	5.8
323.18472	15.2
330.10901	3.7
331.11758	3.4
337.14832	3.3
343.11725	4.6
344.16742	3.9
345.14917	4.6
356.08215	3.3
362.17789	17.8
363.16373	10.2
380.18817	13.6
381.17352	12.1
383.14905	4.6
385.16516	5.4
390.17352	4.2
401.15866	4.3
447.19489	5.9
448.17850	3.1
465.20612	42.0
483.21597	100.0
484.21658	3.6
501.22479	16.7
537.22351	6.0
555.23560	4.4
573.24506	21.1
594.24426	5.4
612.25092	4.2
616.24463	11.5
648.27362	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	7.1
57.03413	1.3
57.07058	1.4
58.06594	2.8
60.10176	1.1
67.05506	2.1
69.07062	1.6
71.08656	1.4
71.58614	2.1
74.06077	32.7
78.66185	1.3
81.07040	2.0
84.04502	1.7
86.09700	100.0
91.05487	1.3
94.05956	1.2
95.08608	1.8
102.60889	1.0
105.07024	1.9
107.04920	1.1
109.10182	1.4
110.40939	1.1
119.08569	1.4
120.08102	19.9
121.10178	1.1
125.08476	1.0
131.08617	1.2
132.37033	1.2
135.08005	1.6
137.85031	1.0
147.11673	1.1
152.10719	3.8
166.08647	11.7
187.14491	2.9
215.13911	7.0
221.12834	1.4
249.12282	2.6
267.13409	22.4
277.11676	1.5
306.98911	1.1
341.83112	1.5
357.24081	1.1
362.20563	6.2
381.31134	8.8
436.35306	3.6
454.36127	1.2
464.34961	2.0
482.35641	3.9
513.80829	1.3
613.26874	1.3
629.42291	3.7
647.45258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33035	1.1
58.76953	1.2
60.74470	1.3
65.03957	1.9
67.05498	3.5
69.07066	1.5
71.00845	1.9
71.01157	1.6
76.09749	1.1
79.05477	2.0
79.47146	1.3
81.07053	3.8
83.04980	1.7
91.05478	18.2
93.07024	4.3
95.04939	1.6
95.08583	1.9
104.10709	1.9
105.07004	2.8
107.04946	1.4
107.08600	1.1
109.06497	1.7
115.05399	1.4
117.07018	2.8
119.04935	21.4
119.08558	2.3
121.06499	1.8
121.10155	2.3
123.08057	3.5
123.82168	1.4
131.08565	1.8
137.05930	1.9
145.06548	1.9
147.04350	1.2
149.05975	100.0
149.70172	1.1
151.07552	10.3
151.85951	1.2
161.06029	2.8
163.07536	2.3
169.32904	1.1
175.07515	14.4
177.09099	4.1
203.10678	2.5
205.12233	85.4
231.13789	15.0
270.51526	1.2
285.11172	3.3
527.91193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.03431	0.2
61.14085	0.2
63.02370	0.5
65.03938	0.2
67.05517	1.5
69.03419	0.3
69.07064	0.7
69.69011	1.4
71.04991	0.2
73.76115	0.3
79.05495	2.6
81.07068	1.1
83.04970	0.3
83.08604	0.3
89.03922	8.5
91.05485	0.9
93.03403	0.2
93.07040	1.2
95.04979	1.3
95.08610	1.1
97.06515	0.3
97.10152	0.4
98.21259	0.6
105.07050	0.7
107.04962	2.5
107.08574	0.7
109.10156	0.6
111.04471	0.3
117.03384	8.9
117.06985	0.4
119.08597	1.0
121.02882	0.8
121.10128	0.6
123.04408	0.2
125.09626	0.2
131.08607	0.5
133.10182	0.4
135.04422	22.1
137.09659	0.4
139.03882	0.3
143.08641	0.3
145.02852	12.9
145.10109	0.4
161.05919	0.3
163.03909	100.0
164.04266	1.5
171.08163	0.3
181.04976	0.5
186.05489	0.4
189.11220	0.3
203.10684	0.4
275.19992	1.6
293.21094	1.2
335.19199	0.3
336.19321	0.3
337.09128	0.5
337.20157	0.2
355.50436	0.2
359.31360	0.3
377.82956	0.2
399.00928	0.2
449.24911	0.3
629.29401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01871	0.9
55.05497	0.6
56.54359	0.5
63.62605	0.4
67.05489	1.5
69.03404	1.2
69.07056	2.8
69.35103	2.4
69.35538	2.3
70.06578	0.4
71.04986	0.6
72.09607	0.4
72.85982	0.5
79.05480	1.1
81.03399	1.7
81.07027	1.0
85.02895	1.1
91.05468	1.0
93.07011	0.6
94.06557	3.6
95.04971	1.1
95.08595	0.7
97.02859	1.1
97.06508	1.5
105.07030	1.0
107.05019	0.6
107.08598	0.5
109.02882	0.5
109.06521	0.7
109.10164	0.9
110.06046	0.5
112.07565	0.5
114.09779	0.4
116.05018	0.6
118.06544	0.4
119.08578	0.8
122.06018	10.2
122.27056	0.5
123.04357	0.5
127.03918	1.2
133.10092	0.5
133.99657	0.5
136.07599	2.5
137.05981	0.8
140.07062	10.7
143.08633	0.5
144.04457	2.2
146.06007	9.0
148.07626	0.7
150.05515	1.0
153.06966	0.8
155.07344	0.7
155.08568	1.1
157.10065	0.9
160.07573	0.7
162.05511	2.0
163.03876	1.6
170.09625	3.2
172.03934	11.1
172.07568	0.8
172.09915	1.0
172.11218	1.4
174.05511	4.1
174.09053	1.3
175.08699	1.1
183.06674	0.8
184.11353	0.7
187.08673	0.8
187.12306	4.7
188.10735	0.9
191.05756	0.8
192.06500	0.8
198.09154	24.7
200.09143	2.6
200.10855	1.5
204.04700	1.0
204.06564	17.1
206.08136	8.5
210.09244	0.6
212.10765	4.0
213.09982	0.6
214.08684	0.6
215.11775	19.0
225.10152	1.2
226.08638	5.7
227.08231	0.7
227.11702	2.6
228.08926	0.9
229.09746	1.0
229.13345	1.0
231.11258	0.7
237.10320	0.8
239.11739	1.1
240.10468	2.6
241.09727	1.7
241.13370	1.2
242.10481	1.4
243.11281	100.0
244.11559	1.4
255.11247	11.0
256.12073	0.5
257.12836	5.7
265.09641	0.7
267.11331	0.7
268.09760	0.6
269.04333	0.5
269.09198	0.8
273.04147	0.5
283.10843	0.8
284.11426	0.7
285.12317	91.1
286.12643	1.8
300.12195	0.7
301.11823	9.8
302.12595	0.5
303.13367	89.0
304.13681	1.6
311.10233	0.8
313.11819	3.1
317.40063	0.6
323.10049	0.6
331.12888	1.5
345.14432	4.6
347.15942	0.9
355.08029	1.0
399.10709	5.3
414.14310	0.8
428.16135	0.8
430.17740	0.9
431.18021	0.9
436.18506	0.5
446.17087	0.5
456.15292	0.8
457.16110	0.9
474.16516	4.7
475.17471	0.8
489.18845	1.1
506.19086	1.4
571.25433	2.2
587.25024	1.4
597.22992	2.1
615.24304	7.5
616.23724	0.6
629.25598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75426	0.7
67.05499	0.9
69.07063	1.5
69.42422	8.0
69.42760	0.6
73.33487	0.7
75.20090	0.7
81.03391	1.0
81.07053	1.1
93.07009	1.0
94.06565	3.7
95.04973	1.3
97.06516	0.8
98.21545	1.4
108.08096	1.0
109.10188	0.8
110.05994	1.0
115.05480	0.8
116.04990	1.0
118.06537	1.2
120.04436	0.9
120.08064	0.7
120.43961	0.8
122.06013	13.5
125.95148	0.7
133.10156	1.0
136.07581	2.3
140.07057	17.2
143.08643	1.0
144.04436	3.0
146.06003	13.5
148.07590	1.0
150.05515	1.5
157.10118	0.9
161.07123	1.3
162.05562	2.2
162.09137	1.3
170.09645	3.8
172.03937	14.3
172.11269	1.3
173.04735	1.0
174.05495	7.6
175.08585	1.3
180.10213	1.0
187.08688	1.1
187.12302	4.6
191.05775	2.4
198.09142	23.9
198.10939	1.4
200.09473	2.7
200.10959	1.1
202.08640	0.9
204.06561	17.0
206.08128	10.1
208.09779	1.3
212.10951	5.0
213.10291	1.1
215.08263	0.8
215.11786	18.8
226.08672	5.8
227.08359	1.2
227.11861	5.6
229.09718	1.6
229.13425	0.9
231.11223	1.4
237.10144	0.9
239.11728	0.8
240.08670	1.1
240.10374	1.1
241.09779	2.9
241.13393	1.6
242.10497	2.4
243.11282	100.0
244.11580	2.2
255.11281	21.8
256.11938	0.9
257.12906	5.9
283.10812	2.7
284.11575	1.8
285.12323	97.7
286.12704	1.5
287.10510	1.2
287.13846	1.0
293.08835	0.9
301.11819	12.4
302.12427	1.0
303.13388	82.0
304.13730	1.9
313.11816	6.4
331.12891	3.1
339.15024	1.1
345.14609	4.0
353.11230	0.9
384.17502	0.9
399.10605	1.8
403.15887	0.9
412.16620	0.9
429.14264	1.2
430.17441	1.8
471.17896	2.8
474.16504	7.5
478.68137	1.0
489.18872	2.4
506.18988	1.6
571.25305	1.4
576.71222	0.9
597.23651	2.8
615.24261	7.0
629.26196	10.3
647.29645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40062	1.2
53.03933	1.3
53.09275	1.1
55.01862	1.8
55.05497	2.0
62.72831	1.2
63.94965	1.1
67.05487	3.9
69.03403	2.9
69.06725	1.9
69.07063	23.0
70.06588	1.5
70.71545	1.6
70.71880	2.6
79.05502	2.5
81.03441	2.1
81.07054	4.1
84.08138	1.6
85.02892	1.9
91.05477	2.3
93.07006	1.8
94.06551	4.0
95.04968	2.9
95.08588	2.5
97.02873	1.4
97.06541	1.5
105.07018	4.4
107.04926	1.8
107.08599	2.7
108.04530	1.4
108.08094	3.2
109.02904	2.0
110.06068	1.9
116.04952	1.9
120.82216	1.4
121.10159	1.3
122.06021	9.6
124.07564	2.2
124.56086	1.3
133.10118	1.6
134.06000	1.3
135.04431	1.8
136.07605	2.0
137.05983	2.0
138.05513	1.6
140.07060	44.1
146.06015	12.8
148.07550	3.7
149.06068	1.4
152.07031	2.0
160.07570	2.9
162.05540	3.2
163.07547	1.5
167.07123	1.4
170.09657	2.8
172.03958	8.7
172.42789	1.5
174.05513	9.6
176.07114	7.1
185.10756	2.0
185.90448	1.3
187.12253	2.9
190.04990	3.4
191.05659	2.1
197.10789	3.0
198.09236	8.0
201.40836	1.3
204.06541	12.8
206.08095	8.8
211.08556	1.5
212.10886	2.1
213.10143	6.2
215.11885	8.8
216.10323	2.8
223.08659	1.3
224.45773	1.5
225.10226	2.9
226.08633	4.7
226.10889	2.0
227.11668	2.0
231.11429	1.5
238.10922	1.8
239.11775	3.1
240.10223	1.9
241.09692	5.4
243.11287	44.0
244.09587	1.6
255.11322	5.9
256.12271	2.0
257.12881	4.2
259.10867	1.9
261.12329	7.4
263.11676	1.5
265.09790	4.2
267.11139	1.4
268.09583	3.7
269.09384	6.6
269.12592	1.3
271.10883	2.6
283.10687	9.0
284.11511	3.3
285.12323	49.2
286.13022	2.5
287.10272	9.5
287.13736	3.4
295.10736	3.2
297.12317	1.4
299.09973	1.6
300.12238	3.0
301.11761	6.2
303.13388	51.7
304.13916	2.1
311.10245	2.0
313.11823	27.7
314.16284	1.7
318.16022	2.1
319.12714	1.9
323.10156	3.4
328.14447	1.7
329.11496	2.0
331.12866	10.3
342.12503	2.1
344.13742	2.9
345.14520	8.5
346.15286	1.8
347.16272	2.3
348.17105	2.1
360.17065	2.2
368.14032	1.8
370.11606	1.4
372.13080	2.7
373.13885	1.4
374.15030	2.4
379.19019	1.4
384.56918	1.4
385.14093	1.5
386.14948	3.4
387.15720	2.5
388.16458	5.0
399.10669	1.5
399.27161	3.0
400.16589	1.7
404.16031	2.6
405.16702	2.2
406.17535	3.8
408.19153	1.6
414.14325	4.3
415.15085	6.7
416.15912	9.9
428.15976	2.8
430.17532	2.4
433.16153	3.5
434.16992	5.4
446.17017	4.9
456.15302	3.3
457.16205	1.8
474.16663	13.8
475.17151	4.5
476.18176	9.4
506.18848	3.8
508.19730	1.6
555.22406	3.0
571.25098	6.1
573.23370	8.0
597.23462	10.8
615.24432	100.0
616.24518	4.1
629.25372	2.0
647.28033	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45481	0.4
52.97728	0.4
55.01863	0.8
67.05500	1.5
69.03425	1.0
69.07065	29.6
79.05486	1.0
81.03401	1.1
81.07049	1.5
85.02896	1.8
91.05479	1.1
93.07038	0.5
94.06562	1.6
95.04971	1.0
95.08577	0.5
97.06544	0.9
106.06561	1.2
107.04962	1.4
107.16464	0.5
108.08112	2.1
109.06533	1.8
110.06062	1.3
112.07585	1.0
118.06549	1.2
120.04476	1.4
120.08137	1.0
122.06023	5.0
127.03926	1.0
128.06421	0.5
130.06561	0.5
131.04895	0.5
132.04416	0.7
133.78207	0.4
134.06026	1.5
135.04431	1.9
136.07538	0.6
137.05992	1.2
138.05510	2.3
140.07056	48.1
144.08017	0.8
146.05992	8.2
148.07535	2.4
152.07094	1.4
153.01819	1.5
158.09740	0.8
160.03975	0.7
160.07613	1.9
162.05554	1.6
166.08539	0.6
167.07227	0.6
170.09624	0.8
172.03911	3.2
174.05513	9.6
176.07057	5.0
180.98474	0.5
185.10771	1.9
187.12286	0.6
188.07031	0.6
188.10825	0.5
190.04956	4.4
192.06636	1.4
192.10202	0.7
194.09653	0.5
196.07614	0.9
196.09875	0.7
197.08636	0.5
197.10756	3.0
198.07701	0.9
198.09221	1.5
199.08635	2.3
200.09354	0.7
201.10284	0.7
202.08733	0.6
204.06560	3.6
206.08075	3.6
211.08723	1.6
211.12451	0.6
212.07199	1.0
212.09416	1.8
212.10986	0.9
213.10179	7.2
214.08614	0.5
214.10957	1.5
215.11826	3.5
216.10231	2.8
217.13295	0.8
223.08786	0.9
224.07329	1.0
224.09335	1.4
225.08112	1.2
225.10315	2.9
226.08846	2.6
226.10884	1.1
227.08153	0.6
227.11768	1.0
228.10492	0.7
231.11325	0.6
237.10236	1.1
238.10953	0.8
239.08162	0.8
239.11841	2.3
240.10231	2.2
240.12415	0.8
241.09610	3.8
242.11945	1.4
243.11263	15.4
244.09802	1.4
249.10274	0.7
251.08472	0.4
251.11858	1.4
253.09770	1.0
255.11244	2.4
256.11969	2.4
257.12985	2.7
259.10876	0.9
261.12329	7.8
264.09106	0.8
265.09760	1.9
266.10480	1.0
267.11279	2.4
268.09692	2.4
269.09183	6.4
269.12460	0.9
271.10834	1.7
273.12354	1.5
277.09982	0.8
279.11209	1.0
283.10754	7.7
284.11594	2.2
285.12317	24.9
286.10663	1.3
287.10324	11.9
287.13931	4.4
289.12140	0.5
290.12927	0.8
291.11133	0.6
295.10825	2.1
296.08972	1.0
297.12357	1.1
298.13531	0.6
299.10397	1.4
299.13959	1.6
300.12320	4.8
301.11871	2.8
302.12766	0.7
303.13361	35.5
304.14362	1.8
305.15274	0.9
311.10242	0.7
313.11789	30.8
315.13431	1.7
316.11014	0.7
316.14441	0.7
317.11725	0.7
318.12500	1.1
318.16113	1.6
319.16772	1.4
323.10291	1.8
324.11279	0.9
325.11673	0.8
327.13965	0.6
328.11401	0.9
329.11554	2.2
330.12384	1.0
330.16296	1.0
331.12952	10.5
332.13968	1.7
333.14490	0.6
334.54767	0.6
337.11642	1.1
342.16193	0.6
344.13870	1.5
345.14456	8.5
346.15607	2.6
347.16379	1.6
348.17001	0.7
355.08261	0.8
357.15314	0.7
358.11816	1.2
358.15573	1.1
359.17078	0.7
360.17282	1.1
364.16733	0.6
365.15039	0.6
370.11606	0.8
372.13510	1.7
373.14590	1.7
374.14911	2.9
378.18079	1.3
379.19205	0.5
381.10437	1.6
385.14468	0.7
386.15189	2.7
387.15927	2.9
388.16718	2.8
390.14499	0.7
392.15976	0.9
398.15015	0.8
399.10776	1.7
400.16769	0.8
401.13449	0.5
402.14496	0.9
404.15829	2.8
405.16812	1.6
406.17514	4.7
407.18097	0.8
408.19357	1.7
414.14099	2.9
415.15219	5.0
416.15967	8.8
417.16260	0.7
418.17758	1.0
428.16196	1.7
430.17532	2.1
431.18365	1.2
432.15067	0.9
433.16382	1.8
434.17038	5.1
442.18182	0.8
446.16940	1.8
447.17657	1.0
456.15662	1.6
457.16415	0.8
458.17062	2.0
462.16391	0.6
464.18414	1.5
472.18900	0.7
474.16681	8.8
475.17380	3.6
476.18158	10.3
489.29596	0.6
499.23508	0.7
501.18555	0.7
526.65411	0.5
527.22675	0.7
545.23889	1.4
547.25494	1.0
555.21869	3.3
571.25372	5.6
573.23352	11.6
597.23419	11.1
615.24445	100.0
616.24982	1.7
629.25220	0.7
647.27057	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55113	3.3
55.05502	4.7
57.27995	3.4
67.05488	11.2
69.03420	10.5
69.07062	12.2
71.58250	4.4
75.73484	3.3
79.05477	8.3
81.03412	4.3
81.07047	15.5
85.02895	7.6
91.05476	13.3
93.07048	12.5
94.06538	7.7
95.04966	9.9
95.08592	11.9
96.21977	3.9
97.02898	5.4
102.72027	3.0
105.07013	9.1
107.08569	7.1
108.08092	4.6
109.06483	6.0
109.10166	4.9
111.08073	4.1
119.05046	3.2
119.08588	11.1
121.06527	5.9
121.10120	3.9
122.06042	18.6
123.11718	4.5
127.03950	4.6
131.08469	4.0
133.06578	4.7
133.10176	3.9
134.05989	5.6
134.09636	3.9
135.11708	5.1
136.07579	9.1
137.02295	4.4
137.05949	6.1
140.03429	3.8
140.07042	27.4
144.04436	5.2
146.05997	13.5
147.07930	4.4
149.06004	3.8
152.07054	4.0
154.04979	4.1
160.07460	3.7
161.05991	10.2
161.09467	3.5
162.05519	4.5
162.09187	23.7
163.03925	27.3
163.07509	5.7
170.09688	5.1
172.03964	21.2
173.06000	9.4
174.05495	11.5
174.09254	3.5
180.10144	16.8
181.04948	12.5
185.10753	4.3
187.12346	4.5
190.08560	4.8
198.09183	23.3
199.08656	3.5
203.06967	4.1
204.06544	32.6
206.08145	15.9
208.09674	52.2
208.83894	3.3
211.08661	6.5
213.10294	4.4
215.11836	23.2
225.10289	8.4
226.08623	7.3
227.11780	17.8
237.10175	8.2
243.08806	4.4
243.11295	91.4
249.10231	6.3
250.11070	7.0
251.08185	4.5
251.11636	6.3
255.11237	9.2
256.15475	5.1
257.11813	9.6
257.15515	5.2
265.09644	8.3
267.11292	8.1
269.12808	25.8
275.20090	4.8
279.11188	4.1
283.10617	10.6
285.12338	100.0
286.13110	5.3
287.10565	8.0
287.13885	17.9
293.09149	10.6
295.10965	4.0
301.11850	17.3
303.13382	86.0
311.10291	12.1
313.11780	12.0
314.12744	4.2
318.12704	4.3
325.12292	5.4
329.11353	10.5
331.13022	7.4
336.13428	9.0
345.14590	7.4
347.12216	9.3
356.13779	7.6
361.13855	7.4
364.12802	4.8
370.15350	4.7
371.12274	5.3
388.12796	4.5
390.14450	6.0
399.11118	4.5
406.13885	5.5
408.15494	11.0
409.23190	4.1
414.14258	4.5
437.23007	6.8
446.16946	11.5
474.16446	22.1
475.16803	6.9
506.18716	36.6
571.25385	6.3
579.22040	12.2
587.24750	7.7
597.23529	24.9
611.24872	4.6
615.24469	76.6
647.27185	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52799	1.4
70.09240	5.1
129.63570	1.4
209.99500	1.5
233.58513	1.4
275.60034	1.4
304.79214	1.5
309.72217	1.4
317.25256	1.4
401.17276	1.7
403.18860	2.0
417.20663	2.5
431.18451	4.5
433.23727	7.1
444.19080	3.9
445.20084	7.1
446.20834	2.2
459.21783	44.2
460.22519	8.3
461.23465	7.7
473.23627	2.0
519.24103	6.3
531.24048	3.6
547.26996	25.6
574.25189	1.9
576.23761	2.8
591.25604	4.4
606.28302	100.0
607.28339	3.3
646.30255	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.3
55.01871	5.1
55.05507	14.2
56.33339	1.7
56.78942	2.2
57.03427	25.0
61.02923	75.8
67.05502	40.7
69.03078	2.5
69.03426	28.3
69.07076	10.3
70.64230	6.4
71.01347	4.5
71.04981	6.3
73.02911	29.2
75.04458	2.7
77.00894	2.4
79.00645	5.3
79.05485	35.6
79.18269	1.9
79.18690	2.4
80.05836	2.1
81.03416	24.8
81.07055	43.1
83.04980	7.9
83.08608	5.6
85.02901	100.0
87.04457	5.3
91.03951	65.3
91.05470	23.5
92.75906	2.0
93.07045	35.4
95.01862	2.6
95.04951	14.2
95.08601	33.1
97.02889	78.5
97.06522	2.8
97.10186	3.7
98.21381	2.4
99.04440	11.1
101.02387	10.2
103.03925	12.1
105.07015	19.1
107.04942	5.8
107.08595	22.1
109.02856	11.5
109.06493	4.8
109.10149	13.9
111.04471	2.9
115.03922	8.6
117.05544	2.5
117.07016	7.4
119.08579	16.5
121.06503	2.6
121.10122	21.2
123.04420	3.6
123.08036	3.3
123.11681	5.1
127.03918	39.8
129.05560	3.5
129.06993	3.4
131.08568	11.0
133.10107	11.8
135.04454	2.7
135.08046	3.4
135.11671	8.5
137.09587	5.0
143.08554	5.8
145.02878	2.0
145.04947	23.5
145.10120	11.7
147.11685	8.3
149.09619	4.2
149.13297	4.3
157.10143	5.0
159.06561	2.6
159.11644	7.8
161.13297	3.9
162.84174	2.1
163.03909	8.2
163.06068	5.5
163.07491	4.3
165.12540	2.3
169.10091	3.4
171.06516	4.3
171.11766	3.2
172.78056	2.0
173.13261	7.5
181.10138	2.6
183.06493	9.1
185.13184	2.4
201.07527	3.4
215.11227	2.4
216.11522	2.9
217.11159	2.7
229.19508	7.6
233.10387	4.3
235.12175	2.5
247.20573	16.0
258.71353	2.0
263.20099	2.3
317.17999	3.1
321.24216	80.8
331.15207	2.3
333.19373	3.0
334.19241	5.9
335.18991	7.4
337.83676	2.4
349.23837	2.9
351.20160	3.5
352.20273	10.7
353.19907	20.2
369.19028	2.8
374.67905	2.6
375.21732	2.7
376.21826	4.3
394.44574	2.5
417.20425	3.7
429.26077	3.0
435.21613	3.8
453.22360	2.4
465.28381	5.6
501.26199	2.1
572.05322	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01869	0.6
55.05508	2.9
57.03444	3.0
61.02922	6.0
64.18445	0.5
67.05502	7.6
69.03423	1.3
69.07068	4.7
69.53284	1.7
69.53716	1.9
70.06589	0.9
71.04976	1.4
71.13063	0.5
72.08156	0.9
73.02898	2.0
77.70114	0.4
79.05495	4.2
80.49775	0.4
81.03419	0.7
81.07054	24.2
83.04973	2.0
83.08618	2.4
85.02908	6.4
85.06549	1.9
86.09679	0.7
91.03961	4.2
91.05476	6.5
93.07043	3.5
95.04926	0.9
95.08600	5.8
97.02890	2.7
97.06515	2.7
98.20737	0.6
99.04442	0.6
99.08057	1.1
105.07025	10.8
105.32767	0.5
107.04955	0.8
107.08595	5.3
109.06522	2.0
109.10169	0.5
110.68048	0.4
111.93128	0.5
115.03971	0.6
119.08582	8.9
121.10132	8.5
123.08076	1.1
123.11700	11.8
127.03904	1.7
127.07536	1.0
129.07021	0.7
131.08530	0.6
132.69797	0.5
133.10133	1.2
137.09584	0.6
137.13222	1.1
145.04927	1.8
147.11678	31.0
157.10135	1.4
163.06018	2.3
163.07585	0.7
165.12746	15.7
167.07062	1.0
173.72359	0.5
175.11194	1.9
183.13773	1.2
191.07086	0.7
193.12201	1.3
229.14354	5.0
267.15897	23.6
268.16327	0.7
285.16953	100.0
286.17337	2.7
347.20609	0.5
411.20526	0.6
427.28268	0.6
429.21198	0.8
429.27332	0.5
447.22183	4.5
644.35760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01864	1.8
55.05507	4.6
57.03442	4.7
61.02926	8.2
66.37378	0.6
67.05500	7.5
69.03426	3.3
69.07077	2.9
69.44785	3.1
69.45212	2.7
70.06596	0.9
71.04986	2.1
73.02908	2.7
73.10381	0.7
79.05486	7.3
81.03418	33.9
81.07057	10.3
83.04980	6.9
83.08151	0.9
83.08624	11.9
85.02907	14.8
85.06535	1.0
85.73770	0.6
86.09695	0.9
91.03960	7.3
91.05477	11.6
93.07040	5.5
95.04974	13.6
95.08575	3.3
97.02883	4.8
97.06537	1.9
97.10172	1.9
105.07037	7.8
107.04973	3.6
107.08591	2.8
109.06512	1.2
109.10130	0.7
111.04433	1.4
111.08079	6.9
113.05980	0.7
115.05460	0.7
119.04951	0.6
119.08598	6.3
121.06474	1.0
121.10167	3.9
123.08106	1.3
123.11639	0.9
127.03906	2.8
129.07007	4.7
131.04861	0.7
131.08543	4.3
133.06488	1.1
133.10155	4.4
137.02269	0.7
137.05988	2.8
137.09589	1.2
142.07809	1.0
145.04988	3.1
147.08078	1.6
147.11693	8.2
149.05975	1.1
149.09619	2.2
151.07532	0.8
157.10130	6.1
163.06029	4.8
165.12746	1.6
175.07591	0.8
175.11185	8.9
193.12242	35.7
194.40749	0.6
204.06538	0.8
211.13281	35.2
229.14415	1.1
255.11273	1.8
267.15900	18.0
285.16956	100.0
286.17245	1.6
301.11646	1.5
315.05078	1.5
316.05374	1.7
318.30453	0.7
429.21353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	1.7
55.05507	5.1
56.05013	0.8
57.03434	5.3
61.02932	5.6
61.86266	0.8
67.05505	8.4
69.03416	5.2
69.07061	3.3
69.24667	1.5
69.25076	7.2
70.06586	3.5
71.04990	1.7
72.08167	1.0
73.02924	2.3
75.55195	0.8
78.49566	0.8
79.05482	8.2
79.58538	0.9
81.03413	23.2
81.07055	9.6
83.04980	6.4
83.08624	8.5
85.02900	18.8
85.06521	1.2
86.09707	1.6
86.40404	0.9
91.03947	5.3
91.05469	10.8
91.88634	0.8
93.07031	6.2
95.04973	9.8
95.08605	3.5
96.08109	1.1
97.02890	5.9
97.06523	2.3
97.10164	2.1
98.09649	0.9
98.16245	1.0
98.21464	1.4
105.07035	8.2
107.04965	3.2
107.08601	2.8
109.02850	1.1
109.06515	1.9
109.10170	1.1
111.04455	2.0
111.08073	4.0
114.09261	1.2
117.07064	0.9
119.08565	6.2
121.06495	0.9
121.10155	3.8
122.06012	1.0
123.04444	1.0
123.08043	1.2
124.07446	0.8
127.03900	3.5
129.06990	3.1
131.08577	4.2
133.06465	1.3
133.10158	5.2
137.02345	1.3
137.06036	1.5
137.09613	0.9
145.04971	2.5
147.08031	1.6
147.11684	5.8
149.09637	2.5
154.04955	1.1
157.10123	5.9
161.06012	1.4
163.03900	23.1
163.06082	2.5
164.04225	14.2
165.04425	6.4
165.12759	1.4
166.04762	1.6
167.07063	1.1
175.11256	6.0
181.04944	24.4
181.06523	1.3
182.05296	17.4
183.05479	9.8
184.05708	3.7
193.12230	25.5
200.88841	0.9
211.13287	16.6
250.21703	1.9
255.11212	1.8
267.15903	8.2
268.99994	0.8
274.21591	1.3
281.08228	1.8
282.08438	2.7
284.08847	0.9
285.16953	100.0
286.17450	1.2
299.09213	3.1
300.09451	4.3
301.09647	1.9
302.10034	2.4
303.04996	1.1
317.10364	1.9
318.10522	3.2
319.10812	3.0
320.11041	2.3
429.21295	1.0
447.22122	2.0
462.14600	1.1
464.15143	1.7
481.16077	1.0
482.16211	1.7
644.23932	1.1
644.32898	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
67.05511	3.9
69.07052	0.8
79.05483	2.9
81.07048	3.8
91.05473	3.2
93.07041	3.2
95.04946	0.9
95.08597	2.6
99.08114	0.9
105.07018	2.8
107.08591	1.8
109.10154	1.1
115.05496	0.7
117.07084	0.8
119.08579	1.7
121.10171	1.6
123.08025	0.8
131.08607	1.2
134.00340	0.7
147.11693	1.1
152.73390	0.8
159.11703	0.9
229.19679	0.8
230.97581	0.8
315.19379	1.9
347.64148	0.8
351.21289	2.5
464.93518	1.0
474.22958	0.9
552.25836	1.0
611.27002	0.8
625.29633	4.7
625.39319	1.3
643.41687	100.0
644.42010	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
56.96560	0.9
58.99867	2.8
61.40731	0.8
64.77898	0.8
67.05511	7.7
69.07058	2.3
69.25531	0.8
71.58157	1.3
77.00901	14.9
79.05491	8.9
81.07079	4.4
83.04946	1.1
91.05489	6.3
93.07029	3.1
95.01941	11.1
95.04970	7.0
95.08585	3.5
97.10154	1.4
99.00858	0.8
105.07040	2.0
107.08598	3.4
109.06506	1.5
109.10133	3.5
117.07047	1.4
118.03532	1.4
119.08573	3.4
120.51768	0.9
126.15054	0.9
133.03432	1.4
133.10124	1.2
133.28189	0.9
137.09622	2.9
139.98428	0.9
159.05014	1.2
159.11749	1.0
169.07098	1.4
171.05020	2.1
173.06604	2.2
183.08624	1.0
187.08199	1.9
191.07591	1.1
195.08644	1.3
197.10223	2.1
199.08127	1.6
201.09732	9.9
203.15363	1.6
205.09216	2.2
207.04895	1.5
209.06432	1.3
211.08214	1.1
213.09682	16.2
215.11269	27.8
217.09085	1.4
217.12671	1.0
219.10765	9.1
221.06673	1.3
227.11230	10.1
231.10745	30.0
231.12898	1.5
232.10936	1.3
233.12326	13.9
235.07971	1.3
236.11401	1.8
238.12880	2.1
239.11235	1.9
242.12311	1.1
243.10873	1.4
245.12341	16.8
250.12758	1.6
251.11317	1.2
253.12740	1.3
254.12442	2.4
255.14493	1.4
256.13998	1.3
257.12228	1.4
264.11993	1.2
265.12897	1.5
268.13879	1.0
269.12402	1.5
269.15976	1.4
271.13809	1.0
281.12308	1.4
283.13852	1.5
297.16977	2.6
303.17914	1.8
309.18851	1.2
313.16357	2.7
315.18027	19.6
333.19067	52.4
334.19281	2.3
338.19629	1.1
350.22012	0.9
351.20145	100.0
352.20300	4.3
356.20667	4.1
367.19635	8.2
374.21771	18.2
381.21103	1.3
395.24261	0.9
487.28821	1.3
499.98785	0.8
505.29987	5.7
599.30450	1.6
643.40271	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
58.99867	1.3
64.37996	0.9
67.05507	5.6
69.07035	2.5
71.31987	1.7
77.00894	11.7
77.70890	0.9
79.05483	10.2
81.07043	3.6
82.80476	1.0
83.08608	2.0
91.05472	5.8
93.07029	3.6
95.01955	9.2
95.04955	4.4
95.08589	2.9
96.07684	1.4
97.10142	0.9
105.07009	3.0
107.08580	4.3
109.06564	1.3
109.10162	2.1
119.08572	2.3
121.17784	0.8
131.08501	0.9
133.10092	1.4
135.04996	0.9
137.09604	2.1
145.10025	0.9
149.02957	1.0
171.05005	1.2
173.06619	1.6
187.08237	1.2
191.11272	1.7
195.08664	1.9
197.10272	1.6
199.08081	1.3
201.09749	8.2
205.09155	1.3
207.05086	1.3
209.06555	1.7
213.09741	10.8
215.11259	17.5
219.10699	7.8
227.07605	1.2
227.11275	7.7
231.10750	22.7
231.12924	1.8
233.12376	8.5
236.11395	0.9
238.12912	1.0
239.11281	3.0
241.12660	1.4
245.12344	13.6
249.13560	1.1
250.12990	1.0
254.12268	1.9
257.12375	3.5
265.12805	1.5
291.17917	1.0
297.16797	2.1
303.17923	1.0
313.16489	1.0
315.18018	14.9
318.26236	1.0
333.19064	100.0
334.19235	2.6
351.20142	52.4
352.20193	1.4
356.20615	4.6
374.21701	14.5
408.03369	1.0
505.30276	1.4
553.27362	1.2
643.40247	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.7
61.72260	0.5
67.05495	3.5
70.84111	1.2
70.84461	0.8
77.00903	3.0
78.09410	0.6
79.05450	1.8
81.07013	2.1
90.32876	0.5
90.94405	0.6
91.05444	1.6
93.06998	1.5
95.01908	2.6
95.08548	2.5
97.32602	0.5
98.98417	0.8
105.06976	1.7
107.08578	0.8
109.10110	1.4
113.00849	0.9
115.95881	0.5
119.08555	0.9
123.01331	0.7
131.01913	4.7
131.08524	0.7
133.03418	0.6
141.03899	0.8
145.03459	0.7
149.02914	1.3
155.01035	0.7
156.02678	1.0
157.10249	0.6
159.04979	1.9
164.03639	0.5
169.03464	3.3
170.04369	0.8
171.04948	1.3
173.06552	2.3
174.03706	1.7
175.08141	0.8
179.05698	0.7
182.04169	3.5
183.05113	0.8
183.08636	0.7
185.06569	2.1
186.07390	1.3
187.04538	1.3
187.08128	2.0
191.07622	1.6
192.04791	1.0
195.04898	3.0
196.05699	1.0
197.06589	0.8
199.08185	1.7
200.05246	1.7
201.09724	3.6
203.07639	1.2
204.08392	1.3
205.07178	1.1
205.09151	2.0
207.05026	2.0
207.08594	0.8
209.06496	1.2
210.88058	0.6
211.08162	0.8
212.05162	1.2
213.09680	2.6
214.06775	1.3
215.11278	2.3
217.08974	0.7
219.10762	2.9
221.06642	0.7
223.08136	9.5
224.08940	8.0
225.06145	1.0
225.09723	3.5
227.11261	0.9
229.09146	2.9
231.10684	3.9
232.07838	0.6
237.09792	0.9
238.06897	1.1
239.11247	1.8
241.09203	42.4
241.13023	1.4
242.09973	21.8
243.10735	8.3
245.12476	1.3
247.10345	2.0
251.11102	0.7
255.10735	1.1
256.07852	0.7
257.12262	1.8
259.10275	11.7
260.11050	7.7
261.11774	0.9
263.11346	1.2
264.11008	2.4
265.11526	1.1
266.12442	0.8
269.12347	1.0
274.08826	1.2
281.12222	0.9
282.13095	1.9
283.13831	1.2
285.24353	0.8
291.18124	1.1
295.13782	1.7
303.18161	0.9
303.25418	0.7
305.19806	0.8
313.16165	0.9
315.09479	0.7
315.18106	11.2
321.19186	0.8
333.19061	35.4
334.19260	0.9
335.25763	1.6
351.20154	100.0
352.20416	3.3
356.20706	2.2
369.21240	8.2
374.21762	13.8
375.21997	0.9
476.53479	0.6
625.39398	4.5
626.23322	0.6
643.40497	42.7
644.40839	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.7
56.96561	2.4
58.99870	2.2
67.05499	4.4
69.07058	1.2
70.26466	1.5
70.26861	1.9
71.97778	0.9
77.00916	13.1
79.05500	14.3
81.07037	4.4
83.08640	1.7
91.05463	6.0
93.07043	1.8
95.01946	8.8
95.04971	3.1
95.08608	3.0
97.10166	1.8
101.66607	0.9
105.07034	3.7
107.08596	4.4
109.06570	1.5
109.10149	1.4
110.91611	0.7
117.03989	1.0
119.08613	1.5
121.10156	1.4
129.03969	1.0
131.01910	1.0
133.10172	1.3
135.04965	1.2
145.03384	0.9
171.05038	2.1
173.06575	1.9
183.08670	1.0
185.06606	1.0
187.08174	2.0
191.07605	2.0
191.11304	2.1
195.08742	1.3
197.10216	1.2
201.09714	8.4
205.09042	1.9
207.05037	2.7
209.06587	2.6
213.09744	7.6
215.11322	12.6
217.09264	1.2
219.10771	7.3
219.14417	1.4
223.11945	1.0
225.09848	1.0
227.11308	8.2
229.12927	1.1
231.10783	14.8
233.12364	6.4
238.12837	1.4
239.11160	1.9
241.12784	1.5
243.08994	1.2
245.12334	12.9
250.12801	1.6
253.12872	1.7
257.12488	2.0
264.12036	1.4
265.12762	1.5
267.14438	1.3
279.14465	1.2
281.15979	2.9
297.16898	1.6
299.17062	3.2
303.18100	1.4
313.16467	2.7
315.18069	25.0
331.15906	3.2
333.19113	100.0
334.19327	3.8
349.16986	7.6
351.20181	56.0
352.20514	1.3
356.20676	12.0
367.17944	2.8
372.18253	1.3
374.21765	9.3
465.10538	1.0
487.28922	3.8
583.24866	1.0
607.38452	29.2
611.24872	1.3
612.21771	1.0
625.39014	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19202	1.1
54.71402	1.0
55.01878	1.2
56.96566	1.1
65.03933	2.2
67.05495	2.4
69.07061	1.3
70.77763	1.4
70.78091	2.2
79.05488	2.9
91.05474	4.4
92.04983	1.6
93.07034	5.5
94.06571	6.7
95.07345	3.7
95.08569	1.2
96.08126	6.7
102.84287	1.0
105.07018	1.2
106.06528	1.6
107.04946	1.3
107.07319	1.1
108.04465	3.9
108.08113	12.2
110.09666	9.4
116.04976	3.3
120.04463	4.4
120.08091	9.6
122.06030	4.8
124.07611	8.2
134.05986	2.6
136.07552	11.4
138.09126	12.0
144.04434	8.3
146.06033	6.7
148.07599	3.1
152.07047	1.9
160.03926	4.2
160.41808	1.2
162.05492	4.8
164.07059	3.1
166.08640	15.9
172.03918	29.4
172.07574	1.7
174.05455	1.5
176.07043	3.5
178.05136	1.2
190.04979	21.1
197.10794	3.8
199.12306	2.7
201.09746	1.1
204.06551	48.4
209.10765	2.0
210.11450	1.5
211.08655	4.5
212.09428	1.7
213.10237	2.0
214.11093	1.2
224.09390	2.3
225.10225	12.7
226.10898	1.9
227.11778	18.7
236.09425	3.8
237.10229	3.2
238.10907	2.7
239.11737	4.3
241.13326	3.1
249.10237	3.1
251.08185	1.7
251.11835	3.1
252.08919	1.8
253.09723	9.9
255.11354	2.8
263.08118	2.0
264.08966	4.2
265.09683	2.0
266.10510	1.4
267.11267	3.7
269.12820	20.5
271.10776	10.8
273.12335	7.1
277.09656	2.7
279.11255	4.9
283.10925	6.5
284.11563	3.9
285.12213	7.5
286.13162	2.0
287.13889	20.3
293.09100	1.3
295.11035	1.5
296.11938	1.3
297.12350	8.6
299.13989	5.4
300.11182	1.6
301.12137	1.5
311.14304	1.6
312.15100	1.6
312.28552	1.1
313.12888	1.8
314.12823	2.6
315.13974	2.4
315.18054	6.6
316.10956	2.6
316.14432	3.0
317.15524	1.6
323.10104	7.8
325.11798	25.7
325.15506	2.2
326.12665	1.3
326.16519	1.8
327.13455	4.0
327.17206	1.5
328.10773	4.4
328.14471	4.9
329.11450	2.2
329.15192	1.8
330.16003	4.5
331.16632	3.7
333.19043	15.0
339.13885	1.7
340.14401	1.6
341.11554	2.9
342.12354	9.6
343.12927	12.7
344.17462	1.5
354.12350	2.1
355.13278	2.9
355.17123	1.6
356.14087	6.4
356.20541	1.7
357.14532	9.1
358.15591	4.1
359.15970	1.4
366.15979	2.2
369.14572	1.9
370.11438	1.4
370.15695	5.9
378.17957	2.5
380.14056	1.3
382.11902	6.6
383.12512	3.6
384.13293	5.2
385.14148	4.3
386.14505	1.9
386.18729	3.4
390.17969	3.3
394.14938	1.3
398.14944	22.4
399.15768	29.8
400.16449	2.1
404.16022	7.0
412.16620	2.7
414.18085	4.2
416.16010	21.0
417.16565	1.8
422.16638	2.5
428.16049	3.3
430.17648	2.7
440.15964	7.5
446.17123	22.7
458.17072	51.9
459.17401	2.6
490.19781	9.7
523.21899	1.6
539.26361	1.9
565.24341	2.5
567.26672	5.3
569.23755	11.8
583.24957	2.2
593.23938	13.1
595.49078	1.3
607.37695	1.5
611.24957	100.0
612.24866	4.5
643.27368	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48069	1.5
55.05510	2.9
65.03933	5.0
67.05492	7.3
69.03430	3.9
69.07075	2.9
71.04955	2.2
77.88377	1.8
79.05489	8.8
81.03418	4.8
81.07059	7.7
82.06596	2.4
83.04977	2.6
85.02922	3.9
91.05482	13.0
93.07024	6.6
94.06566	6.8
95.04971	7.6
95.07334	5.0
95.08591	4.3
96.08138	12.9
97.02892	3.3
97.06538	2.5
97.10214	2.3
97.48296	1.5
103.05455	8.7
105.07016	8.5
106.06538	1.9
107.04955	4.1
107.08588	4.6
108.04474	5.1
108.08115	18.9
109.02888	2.5
109.06509	5.2
109.10130	2.8
110.06042	1.9
110.09678	16.0
111.04456	1.8
115.05420	2.7
116.04984	4.9
117.07023	2.4
119.04961	2.6
119.08634	3.3
120.04466	6.0
120.08110	11.7
120.14724	1.7
121.06528	4.4
121.10138	4.3
122.06027	7.0
123.04440	4.0
124.06846	1.8
124.07604	11.2
125.05968	3.1
125.09641	2.3
127.03924	3.8
129.07018	2.4
130.23123	1.9
131.04922	6.7
131.08545	3.1
133.06487	3.0
134.06078	8.2
135.04399	2.9
135.08015	2.4
136.07568	12.6
137.05977	4.5
138.09148	16.0
144.04469	9.0
145.06497	4.5
145.10109	2.8
146.05997	7.5
148.05215	4.0
148.07610	5.1
149.05969	5.9
152.07097	4.6
153.05475	2.6
159.08009	3.3
160.03957	4.6
161.05980	3.1
162.05501	8.6
163.03880	4.3
163.07602	8.5
164.07083	3.7
165.05420	2.1
166.08620	20.3
167.07040	25.6
171.06548	2.2
171.11620	2.3
172.03928	32.2
173.05936	2.7
174.05513	4.2
176.07080	5.0
179.03400	1.9
179.06847	2.3
181.04950	29.0
182.09737	2.3
183.09109	2.2
187.07532	2.1
190.04984	27.4
191.07050	19.8
191.10661	2.0
197.10806	3.4
199.08873	1.9
199.12318	3.1
203.07260	1.9
204.06563	54.8
210.09348	2.7
211.08672	6.5
212.09329	2.2
213.10213	2.4
217.08592	1.7
224.09398	2.5
225.10274	19.9
227.11748	21.5
233.08124	3.5
236.09433	3.9
237.10182	7.7
238.10977	4.0
239.11766	6.0
241.09679	4.1
249.10327	3.6
251.08107	2.4
251.11749	5.3
253.09731	8.9
255.11345	3.5
263.09177	3.0
264.09045	3.8
265.09604	2.1
267.11084	2.7
269.12845	23.3
271.10721	13.2
273.12244	8.8
277.09793	5.7
279.11197	6.3
283.10724	11.0
284.11575	5.7
285.12354	10.7
287.13907	25.8
293.08945	2.3
296.11478	2.7
297.12357	13.8
299.14038	4.5
300.11511	2.6
301.12134	3.2
303.13544	1.9
305.09265	2.0
309.12405	1.9
310.13611	1.9
313.12338	2.9
314.13162	3.3
315.14063	2.0
316.10822	3.1
316.14407	4.2
321.08728	2.3
321.12326	2.3
323.10059	12.3
325.11877	28.3
326.12701	3.0
326.16476	2.0
327.13541	6.5
328.10855	5.4
328.14386	3.9
329.11536	2.9
329.15152	2.5
330.16003	2.9
331.16959	2.7
340.14554	3.3
341.11563	3.4
342.12488	12.3
342.16104	3.5
343.13080	15.5
352.14716	2.1
353.12985	3.1
356.13947	9.5
357.14413	9.9
358.15503	6.3
365.11481	2.9
366.16068	2.4
369.15396	2.5
370.15637	6.4
371.16263	1.9
380.13702	2.9
382.11856	7.4
383.12589	4.9
384.13312	7.7
385.13574	3.6
386.14697	4.7
386.19055	3.2
388.16461	2.1
389.63281	1.6
390.18106	4.3
395.15167	2.0
395.23877	2.2
398.14957	27.2
399.15814	40.4
400.16296	4.8
402.17920	2.6
404.16019	6.5
412.16647	4.1
414.18335	8.2
416.16077	25.2
417.15659	5.4
422.16711	2.7
428.16107	5.5
430.17798	4.6
440.15997	7.7
441.14627	2.7
443.22498	13.4
446.17087	31.6
448.18442	2.5
451.21362	2.1
458.17072	74.4
460.18771	2.4
473.17557	2.3
478.19559	2.6
490.19888	10.9
520.20367	3.5
541.94904	1.9
557.29083	3.3
565.24377	5.6
567.25690	4.0
569.23914	15.9
583.25427	5.4
593.24121	15.5
599.30060	17.7
611.25024	100.0
612.24591	3.1
626.24921	4.9
643.29089	47.9
643.45557	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54295	9.1
76.06345	1.0
81.07050	1.0
133.96555	1.1
369.52789	1.2
396.12219	1.9
397.13000	3.7
410.13715	3.2
411.14572	5.9
412.15256	2.6
413.15970	2.5
423.15195	1.8
424.15726	2.7
425.16171	13.1
426.16922	9.7
427.17740	2.4
428.18488	2.1
438.12717	2.3
438.18027	1.3
439.13449	12.2
440.19131	5.2
441.19293	38.9
442.19696	2.0
452.15051	3.5
453.15329	16.6
454.15952	5.2
463.14871	1.5
467.17163	28.1
468.17874	14.5
469.18878	12.8
471.16806	1.3
480.17581	1.5
481.14804	13.8
482.15601	3.3
486.18509	1.3
496.17377	9.9
509.18558	2.2
514.22089	2.6
523.19830	1.9
527.23474	2.0
555.22430	32.4
556.22784	2.7
583.21893	100.0
584.22345	7.9
587.25006	2.1
615.24316	11.7
642.40637	4.3
643.23932	47.9
643.40570	16.7
644.24164	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1505
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
51.51636	0.2
53.03942	0.3
55.01858	0.6
57.03433	0.3
61.02908	0.8
68.99775	0.5
69.03432	2.0
71.57469	0.3
72.08136	0.3
73.02889	0.4
80.96896	0.2
81.03411	1.2
85.02431	0.5
85.02904	5.6
95.04969	0.4
97.02885	2.2
99.04457	0.4
107.04946	0.7
109.02869	0.6
111.00785	0.2
121.02845	1.0
123.00810	0.3
123.04426	0.8
125.02316	0.4
127.03881	1.4
133.10107	0.3
137.02341	2.8
144.63902	0.2
145.04961	0.6
147.04373	0.5
149.02306	0.3
151.00305	0.3
153.01823	1.7
164.07060	0.3
165.01848	0.6
169.01334	3.3
171.04395	0.4
175.03853	0.3
181.01309	1.2
185.00752	0.5
189.05418	0.5
195.02957	0.3
199.03961	1.3
203.03311	0.5
217.04996	1.7
227.03419	0.6
231.02960	0.2
235.06042	0.3
244.03670	0.3
245.04457	3.0
255.03040	0.4
263.05505	0.7
273.03912	3.6
287.05579	0.3
290.04233	0.6
291.04974	0.3
301.03433	2.6
303.04953	1.5
319.04474	100.0
320.04828	2.0
337.68314	0.2
481.09628	3.1
664.69775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4021
Annotation	(9Z,12Z)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12-Octadecadienoic acid
Peak:m/z	Relative Intensity
66.96377	0.3
67.05508	0.7
69.98756	0.6
69.99167	1.4
76.74880	0.3
79.05489	0.5
81.07055	1.0
90.29984	0.3
90.85555	0.3
93.07065	0.4
107.08572	0.3
113.86691	0.3
119.01097	1.8
137.02136	0.4
141.72617	0.3
162.01367	0.3
262.11743	1.4
263.12552	0.4
280.49509	0.3
315.19272	2.1
331.18454	1.4
333.20364	6.4
349.19177	1.7
529.28046	0.4
605.38153	0.8
623.39075	13.8
624.39514	1.0
641.40173	100.0
642.40552	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17326	0.4
54.69940	0.5
55.05514	1.3
57.97170	0.4
59.26611	0.4
67.05502	2.6
69.07066	1.3
69.24788	2.2
69.25215	2.8
70.23900	0.4
79.05500	2.0
80.29060	0.4
81.07047	2.9
83.04988	0.4
83.08577	0.5
91.05478	1.8
93.07060	2.1
95.08594	1.5
95.20089	0.4
97.06537	0.5
104.92648	0.4
105.07047	2.3
107.04974	0.7
107.08604	1.4
109.06605	0.5
109.10139	0.7
117.06963	0.6
119.01032	0.5
119.08579	1.8
131.08600	1.5
133.10127	1.0
135.11716	0.5
137.81963	0.4
145.10123	0.9
147.11768	0.5
158.99820	0.4
159.11737	0.6
161.13260	0.7
176.69011	0.5
179.10669	0.4
187.63100	0.5
275.20154	1.5
315.19263	0.8
331.18628	1.2
333.20370	6.2
335.25729	0.9
348.18872	0.5
349.19598	1.9
349.23639	0.7
457.29300	0.6
495.23721	1.0
543.31848	0.5
572.33234	0.9
581.27893	4.0
623.41339	0.5
641.40149	100.0
642.40649	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
55.29504	2.5
56.18335	2.4
56.96536	2.6
61.39772	2.7
61.42793	2.4
67.05479	8.6
69.07072	3.4
79.05499	7.9
81.07028	4.7
91.05457	6.1
93.07027	6.0
95.08615	3.9
105.07026	4.6
107.08540	3.3
109.10194	3.2
119.08590	3.8
137.09656	3.9
149.09738	2.5
149.71219	2.6
159.45276	3.1
230.08766	2.9
262.09192	2.8
289.17987	6.5
347.15228	7.3
349.17682	10.2
365.16565	6.8
381.57492	3.1
623.36597	4.8
641.39209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29740	55.2
79.05486	9.0
81.07063	7.7
81.49902	5.3
89.06023	5.1
95.08595	7.0
97.06522	5.0
98.21508	9.5
105.07008	9.2
119.08573	5.9
135.29602	4.3
147.11621	4.7
163.31015	4.7
179.53433	4.6
184.45850	4.5
228.52554	5.6
298.34818	5.6
349.17581	7.9
641.38708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
56.96556	2.0
57.03423	0.9
59.78979	0.6
67.05501	1.5
69.07063	1.0
71.19608	1.4
79.05495	1.9
81.07068	2.2
82.00883	0.7
91.05465	1.4
93.07023	0.8
95.08624	1.8
100.23109	0.6
105.07040	1.2
107.08629	1.1
119.08553	1.2
121.10181	1.1
123.08134	0.7
142.11348	0.7
142.76672	0.7
145.10152	0.8
161.13446	0.6
169.10210	0.8
171.11681	0.7
203.06146	0.7
204.06673	0.8
209.07304	0.7
209.13121	0.6
229.07518	1.1
239.11870	0.7
247.08588	1.1
249.10152	0.7
263.11710	0.8
275.20123	1.0
286.98917	1.6
331.15909	0.7
349.16913	2.9
365.15662	0.6
367.17957	1.5
371.66769	0.7
391.19269	1.2
405.20966	0.9
406.21451	0.9
418.17532	1.1
419.18622	1.5
433.20248	2.6
434.21170	2.1
435.21854	1.0
447.17389	1.3
447.22076	2.1
448.22467	0.9
461.19366	9.0
462.20273	4.4
463.20981	1.5
465.19180	0.9
467.24539	1.6
475.21579	1.4
476.22064	2.7
477.22879	3.7
479.20422	1.2
493.22702	1.0
494.22775	3.2
495.24316	0.8
504.21033	1.2
521.21655	1.1
523.24213	0.8
535.23657	1.1
548.23950	1.9
549.25220	1.0
563.26233	4.2
564.25592	0.7
565.25049	0.9
581.27710	8.3
593.24298	0.8
608.26337	1.5
609.26752	3.2
623.27368	1.4
626.26245	1.0
641.29602	100.0
642.29993	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
66.73073	0.9
67.05509	2.2
69.07067	1.7
69.90736	0.9
70.84168	2.6
79.05488	2.2
81.07058	1.3
82.43338	0.9
82.82618	1.0
83.08586	1.1
91.05492	2.1
93.07045	2.5
95.04994	1.0
95.08604	1.4
105.07013	2.9
107.08625	1.5
109.10150	1.8
117.24562	0.9
119.01041	1.3
119.08574	1.5
123.35429	1.0
135.11676	1.0
197.10756	1.6
209.10754	1.6
210.11491	1.0
223.12279	1.3
225.13800	2.1
227.11823	1.4
237.13850	1.3
239.11876	1.3
239.15446	1.1
246.12946	1.0
251.05070	0.9
276.14703	1.2
290.16663	1.5
292.18149	1.6
304.14471	1.3
304.18069	1.0
310.79321	1.1
318.16000	1.3
331.18796	1.3
333.20523	10.1
349.19836	2.1
374.18509	1.0
384.17035	2.1
392.19641	1.8
393.20844	1.2
397.13644	1.1
403.19031	1.2
406.21359	2.7
407.22144	3.6
417.20972	2.7
419.22510	2.4
420.22870	1.5
421.23804	4.7
422.24216	8.6
433.23923	2.5
434.18225	1.1
434.24384	6.5
444.19196	3.6
447.18256	1.1
458.20636	1.3
462.20181	2.1
463.20969	7.9
473.22949	0.9
475.21463	2.6
477.23050	4.9
487.25226	1.9
489.23083	1.4
490.23001	1.0
491.24689	1.9
494.26306	1.2
495.27548	2.4
508.22269	1.2
518.23016	1.1
520.20593	1.0
545.25250	6.7
547.26996	6.9
549.24982	13.0
550.25647	3.6
561.21698	2.0
563.26733	5.1
579.29443	1.3
591.25989	36.2
605.27594	5.4
609.27234	12.0
623.28613	54.5
624.28766	2.6
641.30206	5.3
641.40118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05499	1.4
57.03445	0.4
67.05497	2.6
69.07071	1.6
71.04990	1.8
71.13460	0.5
79.05486	2.0
81.03429	0.6
81.07062	2.6
83.08617	0.8
91.05482	1.9
93.07024	2.1
95.04971	0.8
95.08595	2.1
97.02888	0.3
105.07004	2.6
107.08603	1.5
109.06501	0.5
109.10137	1.0
111.08046	0.4
117.07022	0.6
119.08575	1.8
121.10156	0.6
125.09629	0.4
129.07002	0.4
131.08571	1.4
133.10138	2.1
135.11681	0.6
143.08557	0.5
145.10133	0.9
147.11728	1.1
149.09639	0.4
155.08641	0.3
157.10112	0.5
159.11705	1.1
164.22162	0.4
173.13213	0.5
244.49550	0.3
257.18942	0.5
272.46631	0.4
275.20047	3.1
289.21799	0.4
307.22818	0.5
335.25842	0.6
349.27505	1.0
365.17636	0.4
379.19351	0.4
391.19196	1.3
392.20236	0.6
393.20953	1.5
405.16406	1.9
405.21646	0.6
406.17889	1.1
407.17770	0.5
407.22797	3.5
409.23956	0.4
418.17871	0.6
419.18292	1.8
420.19351	0.9
421.16235	0.3
421.20297	3.2
422.20749	0.5
423.21887	1.0
433.20297	3.9
434.21295	2.4
435.22015	5.7
436.22318	0.8
447.21857	1.5
448.18423	0.6
449.19513	5.4
450.20032	0.4
461.19250	0.6
462.20334	0.7
463.21130	2.8
464.22198	1.3
465.18808	0.8
467.24289	0.5
475.21338	0.5
477.22711	0.4
479.20767	0.7
481.22311	1.5
493.22372	1.4
494.23041	2.0
495.23611	2.3
507.23929	1.2
521.25677	7.9
535.23596	0.6
539.23163	1.1
543.36823	0.7
549.25104	0.7
553.25067	0.5
563.22394	1.9
581.27612	14.4
582.28888	0.5
591.22137	0.5
609.24219	1.3
623.25439	1.3
623.39154	0.8
641.29663	100.0
642.30060	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05506	1.6
55.67404	0.8
57.03422	1.1
67.05481	2.2
68.99801	1.1
69.03422	2.6
69.07063	2.3
71.04993	1.3
71.19678	1.8
79.05489	5.1
80.74497	0.9
81.03417	2.3
81.07068	4.8
85.02896	4.5
85.47936	0.8
91.05476	4.2
91.06917	1.0
93.07031	2.7
95.04973	3.3
95.08591	3.4
97.02889	2.0
99.04446	1.1
103.05466	4.2
105.07030	13.4
107.04986	1.8
107.08624	3.0
109.06551	1.4
109.10143	2.6
115.60682	1.1
119.04957	1.0
119.08617	1.2
120.54787	0.9
121.06555	2.0
121.10184	1.7
123.04420	2.4
123.08051	0.8
126.09109	1.0
127.03917	2.2
131.04865	1.2
131.08621	1.2
133.06500	1.0
133.10190	1.1
135.04399	1.4
135.08047	1.8
137.05997	2.2
145.02896	0.9
147.04414	1.9
147.11665	1.4
149.05988	4.0
151.07542	1.2
157.10129	1.5
161.05960	2.0
161.09576	1.3
163.03944	4.8
163.07544	100.0
165.09093	4.9
167.07077	2.6
179.03391	1.3
179.07025	1.3
181.05179	4.9
181.08586	76.1
182.08992	1.4
189.09174	4.2
207.10193	2.2
230.00174	1.0
271.07532	1.0
297.11255	1.6
299.12762	6.9
313.07043	3.9
315.28900	1.0
317.13879	4.0
325.12866	3.9
434.42383	1.1
461.19046	1.5
478.84998	1.1
597.30872	1.8
597.41656	1.0
641.32611	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2068
Annotation	Plantalloside
Peak:m/z	Relative Intensity
53.03952	0.9
57.03411	1.3
61.02911	1.3
67.05489	0.9
69.03431	5.0
69.07058	0.7
69.36237	7.2
70.06566	2.4
79.05477	1.2
81.03400	1.9
81.07043	1.9
84.08097	1.0
85.02897	8.9
86.03238	0.7
88.37424	0.7
93.07002	0.9
95.08593	1.7
95.69735	0.7
97.02881	2.1
105.01791	0.7
106.21107	0.8
107.04955	1.8
107.08565	1.8
109.02883	0.8
116.98510	0.7
121.10122	1.5
127.03922	2.7
135.04417	1.0
137.05966	1.1
145.04910	0.9
147.02951	0.8
163.03899	85.0
164.04176	1.2
177.16370	4.4
178.16727	3.0
181.04950	100.0
195.17465	1.2
195.72850	0.7
239.07002	1.0
255.11333	1.0
259.11859	1.3
277.13242	1.0
280.26196	2.2
281.08066	11.2
298.27618	2.1
299.09131	24.7
299.27740	1.3
316.28531	2.3
317.10165	22.9
317.28806	2.1
461.14346	7.8
478.33829	1.4
479.15497	5.7
479.34390	1.3
498.59845	0.9
516.39148	0.8
640.38690	3.6
641.39130	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
53.55502	0.5
57.03453	0.8
58.43567	0.4
61.02934	0.9
67.05496	0.7
68.99805	0.6
69.03419	4.4
69.62018	3.4
70.06583	2.6
71.04987	0.7
72.08173	0.7
73.02920	0.7
74.31395	0.5
79.05511	1.9
81.03433	1.8
81.07054	1.2
84.08152	0.8
85.02904	6.8
86.09731	1.0
91.05488	1.3
95.04966	0.7
95.08635	0.8
97.02885	2.4
97.06567	0.5
103.05492	1.0
105.07021	0.8
107.04948	1.4
107.08611	0.7
109.02893	1.1
109.10217	0.4
117.48647	0.6
119.04966	0.6
121.02873	1.2
123.04433	0.9
127.03940	1.6
131.04924	1.5
134.13509	0.4
135.04446	1.0
137.05972	1.3
145.02821	0.6
145.04997	0.6
147.04401	0.7
158.99930	0.4
163.03905	78.8
164.04211	0.8
165.01158	0.5
166.08595	0.6
177.05525	0.5
181.04955	100.0
182.05203	0.8
199.07620	0.5
225.08984	0.4
239.07001	0.6
281.08090	10.8
285.04111	0.8
287.05661	0.5
298.27173	0.7
299.09122	20.6
316.28354	0.5
317.06519	3.0
317.10132	17.2
328.84692	0.5
337.00720	0.5
461.14532	3.5
467.14294	0.7
479.15582	2.9
640.38483	0.8
641.38361	1.3
662.54694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02435	0.7
55.05502	2.2
57.07072	0.7
58.06600	5.7
67.05490	1.0
71.58884	1.4
72.08154	8.9
73.06554	2.4
75.86309	0.7
81.07048	0.7
83.04974	1.7
84.08113	0.8
86.09703	19.5
86.10226	1.0
100.11252	100.0
101.06008	2.1
121.47787	0.6
122.45603	1.0
133.89946	0.7
140.14362	3.3
146.11748	2.5
154.12326	1.7
154.15868	0.9
172.13333	2.6
200.16400	1.3
211.14484	0.7
214.14398	0.8
228.15933	6.1
231.67665	0.8
285.21661	6.8
299.23282	10.1
327.22772	18.8
395.25491	0.9
440.31226	2.5
458.32245	5.6
498.34216	0.8
611.43756	29.7
612.43854	1.4
639.35406	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03953	3.3
55.01866	3.4
55.05508	15.6
56.96573	1.3
57.03408	3.0
57.07071	3.8
64.76725	1.4
67.05502	18.0
69.03432	12.3
69.07065	17.7
70.06577	5.7
70.93156	2.9
70.93472	1.6
71.04978	5.5
73.02915	2.0
77.49477	1.4
77.97056	1.3
79.05486	7.1
81.03422	10.8
81.07051	29.7
82.06578	3.2
83.04977	4.2
83.08175	1.9
83.08615	10.8
84.08128	1.9
85.02440	1.5
85.02909	18.6
85.06525	1.9
86.09709	3.8
87.00812	5.7
91.05494	7.9
93.07044	25.4
94.07330	1.6
95.04972	16.7
95.08603	34.6
97.02872	5.2
97.06561	3.8
97.10141	3.4
99.04464	4.0
100.07611	4.6
100.11253	25.3
101.11575	2.5
105.01840	4.1
105.07024	10.4
107.04955	2.6
107.08588	19.7
109.02865	8.2
109.06505	5.5
109.10152	45.8
110.10478	1.5
111.04441	7.2
111.08061	3.1
111.11684	1.6
117.07037	1.8
119.04927	1.5
119.08583	12.6
121.02867	5.6
121.06506	4.1
121.10147	14.6
122.06042	1.4
123.04404	2.9
123.08069	3.4
123.11710	9.6
125.05987	3.0
125.09621	2.1
126.09137	1.5
127.03907	13.5
128.07060	4.5
131.08542	4.7
133.10110	5.8
135.08011	5.0
135.11720	3.2
137.06004	2.5
137.09608	61.4
137.13202	2.2
139.07562	1.7
139.11169	2.3
140.07028	3.2
143.08566	1.5
145.04968	2.9
145.10083	4.3
147.02811	1.9
147.04408	3.5
147.08075	8.1
147.11658	4.7
149.05986	1.9
149.09615	5.0
149.13228	4.4
151.11171	2.5
153.12759	3.2
155.10661	4.2
159.02876	3.5
159.11688	3.8
161.09610	2.2
161.13219	3.1
163.03879	5.5
163.07547	10.9
163.11194	3.4
164.04324	2.0
165.09108	100.0
167.10704	3.4
171.10112	1.8
173.05948	4.7
173.13249	2.0
175.07463	1.7
175.14899	3.0
177.09067	2.0
177.16463	2.3
179.03421	2.4
179.10661	5.0
181.04951	3.9
181.08604	4.2
182.15413	18.4
183.10156	11.1
183.15738	3.4
187.14810	1.9
191.10600	1.7
193.15886	1.8
195.10141	2.7
201.11208	4.1
203.17847	2.0
204.66402	2.3
209.16475	7.8
210.14900	19.7
211.15195	5.7
227.17537	2.3
228.16013	2.4
229.04895	5.7
231.05058	1.8
243.21136	2.9
245.18636	3.0
261.22241	1.5
299.05493	51.9
303.23181	13.9
319.22696	1.6
321.24219	44.9
339.21338	3.1
339.25275	51.7
354.02240	1.5
355.21802	1.6
393.09671	80.8
405.05542	2.0
437.31799	1.6
479.09613	3.0
508.86230	1.6
517.86493	1.6
630.94843	3.0
631.45233	1.5
639.94562	1.5
640.34155	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
54.43955	1.5
55.01858	5.0
55.05505	15.9
57.03419	7.9
61.96525	1.4
65.03911	2.5
67.05498	27.1
69.03425	15.2
69.07060	7.7
71.04419	3.2
71.04973	5.9
78.35609	1.5
79.05484	27.4
81.03410	100.0
81.07047	34.0
83.04976	18.1
83.08138	2.2
83.08607	20.7
85.02897	21.2
91.05471	30.0
93.07028	17.9
95.04955	30.4
95.08588	14.0
97.02886	15.1
97.06502	3.5
97.10151	5.7
99.04432	4.0
99.08092	2.6
102.90992	1.5
105.07016	26.2
107.04939	7.1
107.08564	10.0
109.02857	16.5
109.06483	5.8
109.10128	7.2
111.04439	11.8
111.08058	12.5
113.06052	1.8
117.07002	2.7
119.08569	21.2
121.06502	5.4
121.10113	9.1
123.04420	5.7
123.08046	3.3
123.11684	3.4
125.09620	2.8
127.03911	10.2
128.06233	1.8
129.06989	9.1
131.04967	2.0
131.08554	12.0
133.06447	4.9
133.10110	11.6
135.04388	2.4
135.08127	2.1
135.11697	2.8
137.05925	2.8
137.09587	2.9
142.07738	2.9
143.08495	1.8
145.06505	2.1
145.10107	5.7
147.04320	1.9
147.08023	3.9
147.11668	15.9
149.09608	7.5
153.12711	1.5
157.10129	12.8
159.11609	1.9
161.05959	2.2
161.13284	1.5
163.03851	4.4
163.07664	1.9
163.11160	3.5
165.12677	3.3
173.04471	1.9
173.05908	1.8
175.11163	13.8
175.66930	1.7
179.03401	3.6
181.12206	4.0
189.11096	1.8
191.10664	5.1
193.10439	2.2
193.12228	43.3
205.12282	1.6
211.13257	68.5
227.12788	5.8
229.14259	2.4
235.13464	2.0
265.14502	2.5
267.15894	16.2
273.14761	2.3
277.34836	1.6
283.15317	3.7
285.16992	8.6
301.14163	3.4
313.16406	1.6
315.77286	1.5
319.15213	2.5
337.16602	3.8
355.17358	5.4
385.23660	4.3
393.19131	2.2
411.20047	3.6
429.20963	2.3
459.27347	5.5
477.28384	8.7
495.29517	12.5
595.30438	1.8
603.31628	2.6
621.32709	9.2
639.33826	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.54900	0.3
54.39151	0.3
57.24573	0.4
62.41780	0.4
67.05497	0.8
69.07056	0.6
71.10623	1.1
74.89092	0.4
79.05492	0.8
81.07061	1.0
82.15556	0.4
91.05503	0.6
93.07035	1.4
95.04993	0.4
100.25272	0.4
107.04969	0.5
107.08549	0.7
112.67242	0.3
119.08583	0.8
131.08540	0.5
155.40181	0.3
225.10162	0.5
237.10172	0.5
239.11758	0.5
251.11859	0.5
275.19922	0.6
291.19650	0.6
314.12891	0.7
328.14581	0.7
340.10956	0.4
391.15396	0.7
392.16306	0.6
393.16806	0.8
403.15405	0.5
405.17084	0.9
406.18118	1.4
407.18469	2.7
417.16901	0.8
419.18790	1.4
420.20132	0.9
421.20474	6.0
422.21240	1.9
431.19028	0.6
432.19577	0.9
433.16125	1.2
433.20444	1.8
434.17462	1.3
435.17374	2.9
435.23016	0.7
436.22873	2.4
437.23755	0.5
447.22031	1.1
448.18787	3.1
449.19626	11.0
450.20505	3.6
451.21338	0.7
459.18054	1.0
460.18671	0.6
461.19672	1.4
462.20334	0.9
463.21762	5.5
464.22076	6.1
465.22784	1.1
465.28860	0.4
474.20557	1.1
475.21451	1.9
477.18857	7.7
478.19986	2.7
479.20810	0.9
487.21414	0.6
491.20462	0.8
492.21219	0.6
493.22073	1.0
495.23489	0.5
501.22736	0.5
505.22711	1.0
507.24493	0.9
508.23450	0.4
509.21356	0.5
519.22540	0.7
521.21832	1.0
523.23334	2.2
533.22095	1.2
535.23657	3.7
536.24493	1.9
537.20691	1.9
547.23285	0.6
549.21167	0.7
550.25336	1.1
551.26599	3.1
561.24884	3.0
563.23065	0.9
564.23584	5.2
565.24335	3.3
577.84021	0.5
579.25940	8.6
580.26074	0.5
581.24023	1.1
595.25665	3.0
596.26385	1.4
607.25494	1.0
610.27374	1.3
611.28607	0.7
621.27014	5.0
624.25806	6.2
639.28094	100.0
640.28308	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.28693	1.9
70.89843	6.4
108.23804	2.0
119.41142	2.1
151.03238	2.0
243.62517	2.4
339.18307	2.0
377.17770	3.2
378.18420	1.9
390.18399	2.7
391.19196	8.3
392.20059	5.2
393.21198	3.5
405.20959	10.1
406.21530	5.4
407.22391	17.1
417.21103	2.4
418.21527	2.7
419.22336	9.0
420.23273	6.1
421.23868	21.8
422.24496	5.5
433.24225	5.3
435.18448	3.2
436.19284	3.2
445.20453	3.2
451.21011	14.1
452.22092	4.7
460.22781	3.5
461.23105	4.8
465.22937	27.2
479.24338	2.2
487.21393	4.2
488.22165	2.8
501.22919	4.9
503.24319	20.4
504.25394	2.7
507.27618	16.2
508.28195	4.4
523.23553	4.5
535.27130	20.7
537.24829	18.6
551.26611	9.3
552.27399	31.2
561.24908	4.9
579.26062	16.8
580.26556	5.2
595.29291	14.0
621.27075	29.0
639.28125	100.0
640.28687	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32844	8.4
57.40111	7.8
69.58103	69.2
104.37172	7.4
114.72814	8.2
115.36746	9.1
347.13217	9.9
465.22824	45.2
493.26224	9.2
503.24170	25.7
513.94318	12.7
521.25586	21.6
565.24469	50.4
580.27167	18.9
627.01941	9.5
639.27875	100.0
639.37152	7.4
639.42853	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
69.27331	12.3
69.27742	73.2
98.20778	16.2
98.55307	6.4
101.58354	6.4
119.91009	7.6
133.65257	8.1
134.43155	6.6
163.16176	7.8
333.20456	8.3
526.45831	9.1
621.27069	17.1
639.27808	46.4
639.42450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66968	1.6
69.24757	21.9
78.99795	1.9
123.88096	1.9
223.12524	2.6
253.13297	2.4
261.72949	2.0
275.15024	1.8
292.55682	2.2
325.12000	2.5
403.19205	2.4
404.71616	2.0
417.20755	3.3
418.21509	2.7
429.16943	3.0
431.18463	7.0
433.23923	4.4
444.19189	4.6
445.19904	5.7
450.20206	3.3
459.21851	44.3
460.22757	9.3
461.23068	5.5
473.23593	3.4
475.21527	4.0
504.21567	2.8
519.23767	5.8
531.24084	3.7
538.06921	2.0
538.21490	2.1
547.27100	21.0
561.24634	5.0
579.25800	6.5
580.25708	2.8
591.25342	2.8
593.23615	4.0
594.25653	2.4
596.25629	5.3
606.28357	100.0
607.25598	16.4
610.26807	3.9
611.28870	12.8
621.26575	6.0
622.27991	9.0
624.24384	2.9
639.27942	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
65.03928	1.2
67.01872	0.4
67.05494	0.9
69.03431	1.3
69.07048	0.8
70.06573	0.7
71.04990	0.3
71.53606	0.3
75.76424	0.2
79.05484	0.7
81.03412	0.6
81.07050	0.9
83.04981	1.3
84.08114	0.6
85.02911	1.3
86.09705	0.9
89.06017	0.3
91.05474	1.3
93.03394	0.4
93.07047	0.4
95.04944	0.7
95.06962	0.3
95.08579	0.9
97.02882	0.9
105.07025	1.3
107.04947	0.9
107.08613	0.7
109.02877	0.4
111.04446	1.9
119.04948	1.0
119.08585	4.1
120.08092	1.4
120.08930	0.7
121.02869	16.5
121.03902	0.8
121.06438	0.3
121.10184	0.3
123.04402	0.5
127.03911	0.8
129.05423	0.3
131.04950	0.4
131.08522	0.3
133.02837	0.4
133.10109	2.4
134.10469	0.5
135.11685	0.4
135.54195	0.3
136.05251	0.3
136.07562	0.4
137.05965	0.4
139.03902	0.3
141.25798	0.3
145.04961	0.3
145.06467	1.5
146.06006	0.4
147.04417	3.0
163.03902	0.6
164.06964	0.4
169.97021	0.3
171.04396	0.7
175.03923	0.9
175.14828	5.8
176.15140	2.9
177.05396	0.5
187.03902	1.2
189.09099	0.3
191.03337	0.8
193.15916	0.5
197.02359	0.3
197.05902	0.3
199.03889	0.4
203.03404	11.1
205.52284	0.3
215.03401	3.8
219.02922	0.6
219.08217	0.5
219.10153	1.6
221.04413	0.6
225.01750	1.5
227.03476	1.5
229.04997	0.4
233.04395	0.3
235.07527	0.5
237.09135	0.4
239.03391	0.7
243.02907	6.7
247.07578	1.2
253.04973	0.4
253.08611	0.7
255.06432	0.6
261.03806	0.5
271.02383	1.1
275.07010	2.6
286.08325	0.3
287.05453	2.4
289.03461	3.6
293.08160	1.5
303.06656	2.6
303.13269	0.3
314.27005	0.4
321.07574	1.2
327.04877	0.4
331.06000	1.3
345.07376	0.6
347.09210	0.6
349.06973	2.9
359.05301	0.5
369.14716	0.3
373.07147	2.2
376.05829	0.7
377.06552	34.2
378.06851	1.2
401.06482	0.4
403.04105	0.2
403.08072	9.1
405.06039	100.0
406.06348	3.4
419.11127	0.6
429.05865	7.0
447.07071	25.7
448.07443	0.9
465.08115	3.7
638.37244	0.7
639.37793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	29.3
62.27377	8.5
63.24027	8.6
67.05501	100.0
69.07056	43.0
79.05480	53.5
81.07080	59.5
83.04974	11.3
83.08618	13.5
91.05478	51.2
93.07053	40.8
95.04951	20.5
95.08607	47.4
97.06522	13.3
97.10165	12.8
105.07040	57.6
107.04941	43.5
107.08589	40.0
108.05199	9.8
109.10158	34.2
111.08069	11.1
117.06992	14.5
119.08585	35.4
121.10145	27.2
125.09592	9.9
131.08568	34.0
133.10120	31.5
135.04434	9.2
135.08081	10.1
135.11748	11.1
137.09576	21.9
139.11176	18.0
143.08603	8.9
145.10106	21.8
147.11661	12.9
149.09601	19.1
150.12610	9.3
159.11739	12.8
161.09673	12.6
161.13243	13.9
163.11162	10.2
166.68616	9.4
173.11783	14.4
189.11194	11.3
191.10686	10.6
203.12854	25.1
255.94910	9.2
257.18896	17.6
275.20068	98.0
291.19498	33.9
292.19928	25.2
293.21024	87.4
307.74527	9.2
373.65289	11.4
394.18201	11.6
417.77826	9.6
442.85214	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	3.4
55.01859	4.3
55.05507	9.3
67.05511	23.8
69.07071	42.1
75.54144	3.4
79.05495	26.3
80.51678	3.7
81.03413	7.4
81.07058	30.7
81.62983	3.4
83.05003	6.6
83.08609	8.3
91.05486	25.4
93.07037	34.4
95.04961	14.0
95.08604	21.1
97.06516	4.6
97.10153	5.5
105.07030	22.4
105.07697	3.7
107.04962	24.7
107.08616	20.3
109.06551	6.5
109.10146	10.0
119.08593	20.3
121.10150	20.0
123.11693	3.4
125.09642	3.6
131.08577	10.1
133.10127	21.1
135.08060	18.4
139.11151	7.9
145.10132	8.6
147.11671	10.9
149.09615	9.6
159.11678	6.9
161.13284	4.0
203.12846	11.8
207.13857	4.5
237.14835	14.1
257.19022	7.9
275.20078	100.0
293.21121	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23306	2.8
55.01852	5.8
55.05510	14.1
56.51831	2.9
67.05505	26.7
69.07069	35.0
74.89503	2.7
79.05499	36.4
81.03419	7.0
81.07054	33.5
83.04973	5.8
83.08610	4.0
85.06556	3.6
90.82754	3.1
91.05480	25.8
93.07038	33.2
95.04983	14.3
95.08605	23.8
97.06525	7.7
97.10177	5.3
98.21509	7.5
105.07043	25.5
107.04960	29.0
107.08591	23.6
109.06504	3.1
109.10159	6.5
117.07012	6.9
119.08588	21.6
121.06572	3.7
121.10140	19.4
123.08045	3.7
129.07045	3.8
131.08553	11.7
133.10098	19.7
135.08070	13.8
139.11172	9.1
143.08650	3.5
145.10106	10.7
147.11653	7.2
149.09604	6.8
149.13226	4.9
159.11691	7.0
163.11165	4.6
173.13289	5.8
187.99101	3.4
203.12814	13.9
207.13864	3.7
237.14799	21.1
257.19040	5.1
275.20029	100.0
289.07495	3.3
293.21094	93.4
495.97580	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01881	1.0
55.05512	4.7
57.07058	0.6
61.02928	0.7
67.05512	2.9
67.05790	0.5
69.03425	3.3
69.07068	9.8
70.06577	1.4
70.38661	1.3
70.39056	1.3
71.04976	3.1
73.02905	0.5
79.05513	3.4
79.31062	0.5
81.03413	1.5
81.07051	6.6
83.04986	1.5
83.08612	3.4
84.08132	0.5
85.02903	7.5
85.06554	0.9
87.00835	0.7
89.86752	0.5
91.05479	7.5
93.07021	3.9
95.04977	1.1
95.08604	9.1
95.61649	0.6
97.02898	2.9
99.04404	0.8
103.05462	1.7
105.01849	1.2
105.07026	16.7
107.08588	9.9
109.02868	1.8
109.06532	1.5
109.10159	5.2
115.05436	0.8
117.07009	2.8
119.08578	72.2
120.08913	1.1
121.02785	0.7
121.10134	3.4
123.08054	1.1
127.03934	3.5
131.04907	1.4
131.08554	1.5
133.10127	28.9
135.11676	1.5
136.07579	0.7
137.02365	0.9
137.05959	1.4
137.09633	1.2
145.04962	1.4
145.10115	1.9
147.04491	0.6
147.11690	5.1
150.09094	0.8
151.14919	0.9
160.12488	1.3
161.05949	0.6
163.05991	0.7
173.13268	1.4
175.14821	100.0
176.15163	1.1
177.16267	0.6
193.15881	9.8
196.09772	0.6
215.09131	1.3
233.10123	1.5
249.05977	0.7
278.24649	0.8
287.05423	1.3
291.06635	0.7
296.25906	0.8
303.05008	4.6
304.05307	5.2
314.27026	2.7
397.56598	0.7
405.06174	0.8
427.80835	0.6
476.31851	0.9
542.01501	0.7
638.37286	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.66686	2.3
55.21022	2.4
70.84528	6.7
81.55930	2.6
105.07066	3.3
116.74660	2.6
140.66708	3.2
178.46519	2.6
247.38791	2.6
291.80722	3.1
337.89496	2.5
393.20715	3.6
414.18530	4.5
415.19241	6.4
428.20297	5.7
429.20856	8.1
441.17130	3.0
444.19003	4.9
457.20480	4.1
471.21906	5.2
472.22418	3.5
486.20337	4.9
490.20053	3.3
499.21008	9.8
503.24423	5.2
517.22705	4.3
527.20569	3.0
531.23590	9.8
559.23315	100.0
584.81226	3.5
587.23138	19.9
619.25446	88.2
620.25574	3.3
637.26636	7.9
637.40204	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61766	1.1
59.87217	1.1
61.70928	1.0
70.72447	2.5
70.72771	1.4
78.33575	1.0
79.10651	1.2
82.49224	1.2
99.65051	1.2
169.67036	1.1
169.83820	1.2
189.90166	1.3
276.03928	1.2
309.87152	1.2
391.19156	2.2
392.19839	1.7
399.16061	1.9
400.16547	2.2
401.18057	2.1
405.20877	4.6
406.21384	4.7
413.18213	2.2
414.18781	2.5
415.19147	4.6
417.21036	1.6
419.22583	3.0
420.22919	4.4
421.23669	6.5
427.19247	2.1
428.20282	1.8
429.20895	8.7
430.21841	2.7
433.19644	1.7
434.24869	2.4
443.22452	5.6
444.23245	4.5
445.20313	3.8
449.27704	1.2
457.24600	2.0
458.24854	7.6
459.21829	7.4
460.22559	4.1
461.19360	5.8
470.21051	1.9
472.22488	5.6
473.23782	2.2
475.21103	2.8
476.21594	8.0
483.18265	1.7
485.23471	11.1
486.23947	4.4
487.21054	1.8
488.21829	2.4
500.21881	1.7
503.24414	19.3
513.22614	3.5
514.23242	1.8
517.25928	8.6
529.26093	2.0
535.27063	22.8
545.25409	88.5
546.25647	3.5
563.26404	4.6
573.24988	20.7
575.56848	1.4
577.28113	1.7
578.28278	6.5
605.27557	93.2
606.28174	3.7
637.30133	100.0
638.30878	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20530	7.1
62.23443	7.9
70.89224	17.7
71.55103	6.9
71.79283	7.1
75.84103	8.3
84.39576	7.1
94.07555	7.2
97.59009	7.7
100.35603	6.8
253.13379	21.8
256.12137	8.1
351.09811	13.2
369.10806	26.5
401.73099	8.6
458.00894	8.6
577.24243	33.6
605.23956	100.0
637.26624	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77507	4.5
69.24453	5.2
69.40871	16.9
69.41290	31.3
87.02139	4.8
95.08604	8.7
99.55134	5.5
107.08569	5.0
116.24351	4.9
138.11469	6.2
158.38356	5.2
161.29253	4.9
180.20296	4.5
193.73367	5.5
196.40630	5.8
235.74541	5.1
382.61423	6.5
435.21304	5.5
448.47513	5.3
470.92389	5.3
471.21896	5.6
487.21591	6.9
490.20251	8.4
499.20941	6.4
517.22229	13.9
531.24176	7.0
549.24738	8.0
559.23468	82.4
577.24084	6.8
587.22571	20.1
591.26593	6.6
598.25989	5.7
605.23901	13.9
619.25488	93.4
637.26587	100.0
637.36469	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34674	2.6
53.17937	2.2
55.01870	9.3
55.05519	15.7
65.03928	2.8
67.05507	31.8
69.07066	26.4
70.65268	8.6
79.05499	32.1
81.03426	14.2
81.07056	21.6
83.04964	8.7
83.08596	3.4
83.19486	3.0
85.02891	3.2
87.89074	3.2
91.05479	25.4
93.07041	32.3
95.04964	13.0
95.08596	23.5
97.06529	8.7
97.10155	5.1
103.80199	2.7
105.07028	22.7
107.04948	54.8
107.08597	15.2
108.08880	3.1
109.06503	4.9
109.10162	10.8
111.04448	5.7
111.08060	3.9
117.07026	8.9
117.76791	2.5
119.08599	21.1
121.06516	2.6
121.10164	15.3
123.08046	5.9
123.11702	2.4
125.09631	4.6
129.06982	3.8
131.08551	9.8
133.10133	12.1
135.04391	3.7
135.08083	12.6
135.11700	2.7
137.09608	9.1
139.11195	4.0
143.08553	6.5
145.10139	9.5
147.08072	8.5
147.11667	7.8
149.09631	34.5
151.11214	2.8
157.10127	4.8
159.11688	7.4
161.09642	5.0
163.11110	4.9
167.10635	2.9
169.10141	4.3
173.11682	2.8
175.11226	5.8
185.13210	2.8
187.11227	3.6
187.14886	2.7
191.12357	2.5
195.13853	4.5
203.16269	4.2
235.13431	3.1
235.87323	2.5
245.18999	4.8
250.75668	2.8
255.17366	4.6
257.19022	3.9
273.18533	25.9
275.20084	14.6
291.19522	100.0
309.20590	4.0
377.72995	3.2
397.39584	2.9
636.41132	4.0
637.26373	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46214	4.4
53.03962	4.9
55.01877	10.6
55.05500	20.4
67.05499	39.8
69.07068	42.2
69.91035	30.1
70.07345	4.5
71.04972	5.4
79.05487	48.4
81.03418	10.7
81.07052	39.8
83.04972	13.8
83.08615	8.7
91.05477	46.3
93.07033	59.2
95.04961	15.9
95.08600	31.0
97.06548	14.2
97.10155	6.9
98.21563	4.6
101.57281	4.8
105.07033	34.2
107.04956	47.3
107.08556	27.3
109.06496	10.5
109.10156	11.1
117.06971	8.8
119.08575	34.4
121.10146	21.3
123.08056	11.5
125.09715	5.4
131.08563	17.5
133.10124	18.7
135.08000	27.6
137.09625	10.3
139.11180	10.9
143.08617	8.0
145.10110	17.2
147.11711	9.4
149.09602	15.8
157.10081	6.0
159.11732	6.4
161.09637	5.3
173.13254	5.4
203.12788	14.8
235.89687	5.2
237.14839	9.6
257.18777	5.6
267.80130	4.7
273.18472	14.4
275.20004	100.0
275.22748	6.4
291.19485	52.5
293.21063	55.8
309.20673	13.1
361.38052	5.0
435.30075	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44707	2.9
53.03936	4.3
55.01869	6.5
55.05511	13.1
67.05506	25.7
69.03426	2.9
69.07070	25.8
69.27361	8.8
69.27785	19.0
71.05000	2.9
72.13206	2.7
77.82167	2.9
79.05495	29.7
81.03426	12.1
81.07057	24.8
83.04963	12.0
83.08623	4.0
91.05479	24.1
93.07032	27.4
95.04958	11.4
95.08607	27.9
97.06528	7.7
97.10162	6.3
105.07017	18.6
107.04955	45.5
107.08592	16.4
109.06503	7.0
109.10153	12.6
111.04427	7.4
111.08073	2.8
117.07027	8.8
119.08586	20.6
121.06572	5.0
121.10137	13.4
123.08067	10.3
125.09668	4.1
129.06989	4.1
131.08545	12.9
133.10092	14.0
135.08069	14.1
135.11703	2.3
137.09601	5.8
139.11151	5.8
143.08626	4.0
145.10129	7.3
147.08041	3.6
147.11688	4.7
149.09615	22.5
157.10136	4.6
159.11713	4.1
161.09624	4.2
163.11154	4.1
171.11613	3.4
173.11758	3.1
173.13228	2.4
175.11163	6.9
177.12749	2.8
193.12195	2.6
195.13875	3.6
203.12830	6.1
263.20071	4.4
273.18500	25.7
275.20020	26.9
291.19525	100.0
292.19992	3.3
293.21011	10.6
309.20779	7.1
333.88290	2.8
335.25967	2.6
456.86050	2.6
637.26282	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10334	2.6
53.03945	5.0
55.01864	9.9
55.05507	14.1
57.03441	4.3
59.99190	2.4
64.36720	2.4
67.05503	24.2
69.07071	29.5
71.04994	3.7
77.16149	2.5
79.05493	30.7
81.03421	18.2
81.07057	20.2
83.04971	14.8
83.08591	5.2
91.05473	24.2
91.08733	2.8
93.07034	27.9
95.04969	11.2
95.08590	23.8
96.58573	2.6
97.06519	9.3
97.10159	7.6
98.20733	6.4
99.04419	3.0
105.07022	23.6
107.04953	70.9
107.08573	21.6
109.06534	4.8
109.10147	10.6
111.04437	2.4
117.07021	10.3
119.08588	18.4
121.06504	3.9
121.10134	13.1
125.09599	6.5
129.07019	7.0
131.08617	16.2
133.06497	3.8
133.10115	15.6
134.24539	2.4
135.08055	8.9
135.11610	3.3
137.09616	6.3
138.12796	4.1
139.11130	5.0
143.08597	3.9
145.10098	9.3
147.08028	3.1
147.11639	6.0
149.09608	36.4
149.13205	3.2
157.10149	5.1
159.11725	6.0
161.09633	6.2
163.11224	4.7
171.11641	5.1
173.13231	3.2
175.11195	6.5
177.12692	3.2
189.11238	3.2
193.12321	4.2
195.13756	3.2
235.13295	3.3
257.18979	4.6
273.18512	21.1
275.20157	20.6
291.19543	100.0
293.21158	3.0
309.20413	3.4
322.27255	2.6
323.74240	2.6
344.84900	3.0
379.64676	2.5
421.84396	3.1
618.43231	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91245	2.1
53.03930	4.5
55.01864	5.9
55.05511	18.1
57.03420	4.5
63.02378	2.7
67.05505	30.8
69.03416	4.1
69.06721	3.6
69.07064	40.3
69.29523	14.5
69.29954	10.1
71.04977	3.0
71.22339	2.2
79.05492	37.7
79.42639	2.1
81.03420	18.2
81.07056	30.4
83.04958	10.3
83.08607	4.3
85.06554	4.6
91.05479	33.7
93.07043	33.6
95.04978	13.8
95.08598	25.4
97.06512	9.8
97.10172	8.3
99.04470	3.0
105.07043	32.2
107.04952	60.5
107.08585	34.0
109.06484	6.4
109.10151	12.0
111.04429	5.3
117.07018	10.0
119.08566	20.5
121.06510	8.5
121.10142	14.6
123.08047	8.4
125.09632	8.5
129.06995	7.1
131.08553	18.6
133.06473	5.4
133.10167	13.5
135.08015	12.9
135.11664	6.9
137.09599	8.1
143.08554	4.7
145.10126	14.2
147.08061	5.3
147.11658	11.8
149.09621	33.0
153.09050	4.6
157.10112	5.4
159.11694	12.9
161.09618	9.8
161.13264	3.5
163.11160	7.0
169.10110	4.3
171.11679	3.4
173.11830	3.0
173.13292	4.2
175.11153	5.4
183.11685	3.2
185.13258	6.9
189.11157	6.5
189.12706	3.5
191.10600	5.7
195.13795	5.3
203.10706	3.1
203.12643	3.5
239.18120	2.6
245.19055	3.3
255.17381	3.8
257.18967	11.1
263.19989	5.0
273.18494	27.3
275.20078	38.8
291.19534	100.0
292.19781	3.6
293.21103	10.8
309.20624	5.4
372.81827	2.7
520.36322	5.3
565.37677	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	7.5
55.05507	17.4
57.03463	3.1
65.03945	2.6
66.76627	2.5
67.05501	52.0
69.03426	3.5
69.07069	31.2
69.92987	14.4
71.04996	6.5
79.05488	34.8
81.03401	18.9
81.07054	29.6
83.04977	10.9
83.08636	4.6
91.05474	27.3
93.07037	38.2
95.04973	10.6
95.08604	23.3
97.06527	11.1
97.10180	6.4
105.07021	24.6
107.04948	63.0
107.05626	5.1
107.08575	19.4
109.06531	5.4
109.10160	19.1
111.04458	4.8
117.07019	11.5
119.04890	3.1
119.08575	21.2
121.06515	5.1
121.10168	10.6
123.08047	8.1
123.11706	2.9
123.48598	2.6
125.09588	3.8
131.08565	16.0
133.06514	3.5
133.10117	10.1
135.08067	12.4
135.11771	3.9
137.09663	12.0
139.11209	6.1
143.08521	3.6
145.10144	10.8
147.08078	3.1
147.11684	10.5
149.09610	40.9
157.10175	5.0
159.11725	4.5
161.09708	5.1
161.13277	2.8
163.11137	3.7
173.11810	4.8
173.13260	3.6
175.11142	4.2
175.60144	2.8
185.13295	4.2
189.11096	4.6
193.48061	2.9
234.03522	2.9
255.17529	3.0
257.18930	4.0
263.20001	3.7
273.18439	24.1
275.20050	26.6
291.19537	100.0
292.20218	4.0
293.21066	9.1
299.74124	2.8
299.78329	2.7
309.20645	7.4
335.88379	2.8
345.16763	4.5
551.32928	3.8
577.24268	7.8
636.39856	5.6
637.26300	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73614	6.5
55.05498	30.5
57.03428	8.2
67.05498	33.6
69.07062	34.0
71.58736	12.0
73.11006	8.2
79.05495	45.7
81.03400	16.0
81.07079	42.7
83.04958	12.7
91.05469	31.4
93.07036	40.5
95.04948	21.9
95.08588	44.4
97.06490	13.0
105.07012	33.4
107.04958	59.4
107.08570	32.8
109.10151	15.9
117.07043	14.7
119.08559	21.7
121.06480	7.9
121.10121	15.7
125.09703	9.7
131.08549	17.2
133.10133	20.7
135.08020	19.7
145.10121	11.3
147.11694	17.2
149.09618	23.4
159.11707	8.4
161.09566	13.8
203.12634	9.1
273.18484	28.7
275.20093	35.0
291.19556	100.0
299.65085	7.4
344.65686	7.7
502.86398	9.2
569.53064	8.8
620.28821	8.7
636.24469	15.2
637.25763	12.3
637.36371	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01862	10.3
55.05509	17.9
57.03437	2.8
65.03925	4.0
67.05500	32.9
69.07066	28.3
71.03773	6.3
71.04995	3.6
79.05490	40.1
81.03401	16.8
81.07054	31.0
83.04981	11.8
83.08601	8.9
91.05471	34.7
93.07030	34.3
95.04964	20.6
95.08604	33.8
97.06525	8.7
97.10172	6.3
105.07014	20.0
107.04223	3.6
107.04945	62.3
107.08582	25.3
109.06490	7.1
109.10165	14.0
111.04419	4.5
115.05419	4.2
117.07007	11.6
119.08577	23.0
121.06503	8.0
121.10126	14.3
123.08047	5.1
125.00008	3.2
125.09608	5.2
129.07010	6.9
131.08554	13.5
133.06439	4.5
133.10117	11.8
135.08043	7.9
137.09572	8.8
139.11223	4.1
143.08569	8.5
145.10132	14.0
147.08000	7.1
147.11664	10.8
149.09610	38.1
155.10640	3.0
157.10146	6.7
159.11670	7.8
161.09569	5.4
161.13231	3.0
165.09155	2.8
169.10104	3.4
171.11491	2.7
173.11769	4.4
175.11194	5.6
176.14314	2.8
183.11568	3.9
189.12769	2.8
193.12297	4.0
195.11630	3.5
195.13637	4.8
202.15938	20.2
203.16228	17.1
204.16512	5.6
227.17854	2.8
243.38507	2.8
245.18927	3.3
249.14725	3.3
257.18979	4.7
258.07123	2.6
263.20059	5.4
273.18466	20.0
275.19989	17.0
289.17950	3.1
291.19537	100.0
293.21213	3.0
299.94717	2.5
300.13565	14.1
301.13889	14.9
302.14191	9.3
309.20508	6.3
347.65381	2.7
483.07898	3.2
637.26147	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49509	2.1
53.03926	6.8
55.01862	8.6
55.05515	25.5
57.03429	19.1
57.07077	10.2
61.02925	63.7
61.70192	1.7
63.99677	1.8
67.05504	11.5
69.03426	25.7
69.07066	32.7
71.01334	3.4
71.04974	3.5
71.08615	8.7
73.02917	27.8
75.04478	3.0
75.36564	1.8
79.05489	8.0
81.03418	22.1
81.07057	13.7
83.04984	3.5
83.08617	26.9
85.02901	73.7
85.10183	4.2
87.04431	3.1
91.03953	46.5
91.05470	3.9
91.46288	1.8
93.07056	9.6
95.04993	3.1
95.08611	10.6
97.02891	70.3
97.06555	3.0
97.10169	24.5
98.21502	5.2
99.04446	11.6
101.02382	7.4
103.03939	8.9
105.07018	3.1
107.04971	3.7
107.08579	4.9
109.02863	16.9
109.10150	6.5
111.04450	2.4
111.11699	8.3
115.03919	5.6
117.05510	3.5
117.07017	2.9
119.08564	2.7
121.10130	8.5
123.11714	3.1
125.13216	2.2
126.37577	2.0
127.03919	29.4
129.05495	3.6
131.08574	3.5
135.11710	4.2
137.09705	2.2
145.04956	16.6
145.10150	3.2
149.01456	1.9
149.13179	2.0
159.06546	3.1
163.06021	6.8
183.06580	14.8
190.96313	2.2
201.07588	10.3
219.21045	5.1
237.22134	27.6
255.23106	3.1
308.50540	2.1
311.25784	100.0
312.26083	4.7
323.80853	2.2
339.25363	5.1
353.26688	4.4
381.26440	3.1
394.04681	2.1
419.27731	2.6
455.29749	13.6
473.19644	3.5
473.30585	4.2
579.84222	2.2
635.36572	3.0
661.68365	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	25.7
67.05496	31.6
69.07062	38.0
70.88970	11.2
70.89309	9.7
71.04940	6.8
79.05478	44.5
79.48385	6.4
81.07062	37.7
83.08626	8.8
83.25105	6.0
85.06505	6.4
91.05485	39.2
93.07031	51.6
95.04956	13.1
95.08606	21.5
97.06503	6.4
105.07040	35.0
107.04955	19.6
107.08572	26.0
109.06551	7.6
109.10146	13.6
117.07014	9.0
119.08591	23.9
121.10121	30.6
131.08568	22.4
133.10133	13.5
135.08067	17.5
135.11684	9.0
135.17015	5.8
139.11142	22.6
145.10127	11.5
147.11722	10.7
149.09589	12.6
159.11771	6.7
163.11127	7.0
191.14352	7.0
207.13646	7.0
217.14359	27.7
223.50293	6.0
275.20020	100.0
307.22598	37.1
535.35950	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.01858	8.1
55.05495	14.6
67.05508	36.5
69.07061	24.5
71.58458	5.0
71.58912	4.5
73.10664	3.2
73.99564	3.7
79.05485	43.9
81.03405	21.3
81.07047	30.3
83.04963	7.6
83.08606	6.0
84.26308	4.1
85.06513	3.6
91.05473	35.9
93.07041	36.3
95.04948	12.4
95.08600	28.4
97.06513	5.3
105.07022	29.2
107.04946	65.5
107.08591	23.7
109.06513	5.8
109.10141	14.4
111.04462	5.2
117.07004	12.2
119.08559	21.6
121.06529	11.1
121.10120	10.5
123.08018	7.3
128.34032	3.5
129.06990	5.1
131.08568	15.2
131.35095	3.9
133.06480	5.5
133.10129	18.3
134.40587	3.9
135.08028	19.5
137.09589	6.7
145.10133	8.4
147.11777	5.7
149.09584	22.2
151.11189	5.5
153.09143	3.6
157.10115	8.0
159.11664	7.3
161.09602	8.9
167.03394	7.0
173.11806	4.6
175.11201	8.0
193.12360	4.3
195.13820	6.9
245.18980	7.4
255.17366	4.9
263.20090	4.6
273.18442	38.3
275.20068	12.3
289.17905	5.0
291.19550	100.0
293.21207	5.3
309.20578	4.4
313.72903	3.9
427.64157	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.01868	11.8
55.05505	18.7
67.05499	45.3
69.07071	41.3
70.65125	17.4
79.05486	36.8
81.03410	21.2
81.07064	31.1
83.04974	13.7
83.08607	7.5
89.71278	4.7
91.05477	41.9
93.07040	42.9
95.04951	23.8
95.08613	32.6
97.06523	14.1
97.10169	9.2
98.58275	4.8
99.04546	6.7
105.07017	41.1
107.04958	94.9
107.05620	7.8
107.08599	25.8
109.06513	6.0
109.10156	17.3
111.04419	13.7
112.92662	4.9
117.07033	11.9
119.08586	33.9
121.06497	9.2
121.10139	12.4
123.08067	8.0
129.07019	11.9
131.08577	20.1
133.06494	12.1
133.10135	13.0
135.08066	35.8
135.11714	7.7
136.83585	4.4
137.09607	10.3
142.70671	4.8
143.08539	7.5
145.10135	13.5
147.08025	13.4
147.11713	9.5
149.09612	37.9
153.09085	7.3
157.10121	8.5
159.11682	13.1
161.09615	10.9
171.11668	7.7
173.11722	6.1
173.13324	5.8
175.11191	18.0
177.12689	4.9
195.13675	6.4
224.13681	6.0
245.19037	9.4
255.17592	7.3
257.85507	4.9
273.18497	89.2
275.20245	7.3
289.18005	5.6
291.19534	100.0
309.20700	7.4
408.29684	5.9
448.08212	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
54.79120	1.9
55.01860	7.3
55.05508	12.6
57.03431	2.5
57.07053	2.7
62.53199	2.5
63.59752	1.9
67.05496	24.0
69.03405	3.6
69.07063	17.9
69.86691	10.4
69.87103	4.6
79.05485	27.0
81.03423	11.8
81.07039	18.8
83.04974	8.8
83.08607	5.3
85.06580	2.7
85.54681	2.1
87.57209	2.4
91.05465	26.7
93.07034	21.5
95.04952	11.3
95.08598	16.1
97.06524	7.9
97.10149	7.3
99.04422	3.3
103.05455	2.2
105.07018	17.2
107.04945	46.4
107.05626	3.7
107.08595	12.2
109.06528	5.4
109.10149	8.7
111.04443	4.6
117.07001	9.3
118.85368	1.9
119.08575	14.7
121.06493	7.5
121.10161	9.1
123.08075	6.1
125.09628	3.1
129.07005	3.2
131.08531	11.5
133.06517	4.3
133.10138	7.1
135.08051	9.5
137.09602	6.6
139.11168	3.4
143.08549	4.3
145.10117	9.8
147.08087	4.2
147.11633	4.3
149.09607	26.0
155.10753	2.4
157.10094	5.0
159.08092	2.7
159.11774	2.8
161.09679	6.0
167.03362	4.7
169.10019	3.0
171.11618	4.3
175.11232	2.4
193.12086	2.5
195.13815	2.3
203.10724	2.2
205.08675	5.2
227.17892	2.8
245.18997	4.2
249.14851	2.5
268.87076	2.2
273.18436	23.2
275.20142	6.0
282.48172	2.6
289.18030	2.6
291.19504	100.0
316.07593	2.3
581.38208	3.8
587.36151	2.4
588.10522	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37045	3.6
51.62352	3.7
53.03939	6.0
54.92914	3.8
55.01857	13.3
55.05503	13.3
57.03428	6.2
61.54362	3.5
66.92755	4.7
67.05499	33.0
69.07063	32.9
69.44296	36.3
79.05482	44.5
81.03404	12.6
81.07048	22.0
83.04963	15.4
91.05476	40.9
93.07028	41.6
95.04955	13.4
95.08619	31.1
97.06522	11.8
99.04423	4.8
105.07035	30.4
107.04950	85.3
107.08592	27.9
109.10155	9.0
111.04431	6.8
117.07001	12.2
119.08553	27.1
121.06462	11.2
121.10095	13.2
123.08051	8.2
125.09599	5.9
129.06984	7.6
131.08546	18.6
133.06525	9.1
133.10089	12.9
135.08063	25.1
137.09657	8.4
143.08511	9.5
145.10107	14.2
147.07999	12.9
147.11679	9.3
149.09604	35.2
157.10081	5.5
159.11703	8.5
161.09578	8.0
163.11227	4.3
165.09114	8.4
171.11729	5.4
175.11172	11.9
185.13292	4.4
195.13911	5.0
245.19011	9.6
263.20230	4.6
273.18463	64.3
275.19983	11.0
289.17953	7.5
291.19498	100.0
309.20636	8.3
406.53458	4.9
563.37396	5.1
581.38495	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82038	1.2
53.03934	1.9
55.01860	2.4
55.05505	9.7
56.05006	1.6
58.99584	9.1
67.05177	1.8
67.05501	18.4
69.03446	1.7
69.07040	4.7
70.06584	3.0
71.04987	1.3
71.08620	8.5
73.01129	1.3
74.00658	2.1
76.02225	28.7
76.04016	1.8
79.05486	7.6
80.05030	2.9
80.11605	1.0
81.03397	5.1
81.07054	12.0
82.06576	2.5
83.05008	1.7
83.06084	4.7
83.08606	3.8
84.04494	12.7
85.02894	3.4
85.04064	1.4
85.06529	1.7
86.99038	2.3
91.05476	6.6
93.07039	8.1
94.06597	2.7
95.04951	3.0
95.08602	8.8
96.04521	1.2
97.01123	3.3
97.02901	1.7
97.06547	1.6
97.10146	6.5
98.18118	1.3
99.02702	1.5
99.04445	1.4
99.05574	1.6
99.08078	6.2
105.07005	5.0
106.06562	1.6
107.04946	3.4
107.08598	8.1
109.02871	1.8
109.06490	2.2
109.07617	1.2
109.10147	12.2
111.02657	2.0
111.04408	2.0
112.02187	4.0
113.00572	4.6
114.03727	1.6
116.01669	13.0
116.07086	1.5
117.07048	1.1
119.08580	4.7
120.08131	1.9
121.06492	2.1
121.10130	2.4
122.06022	2.8
123.02621	1.7
123.08125	1.8
124.02152	1.7
125.09586	3.7
126.03735	10.9
127.02148	1.2
129.06638	2.3
130.04984	6.2
131.08493	2.2
133.10091	2.3
135.08029	3.6
135.11578	1.2
136.07565	2.7
136.11244	1.4
137.04166	1.3
137.09616	3.3
138.03757	2.3
139.02156	2.3
139.03169	1.3
139.05710	3.0
139.11031	1.7
139.40446	1.1
140.07048	2.5
142.03226	5.0
143.08548	1.5
144.01118	8.5
145.06076	1.7
145.10075	1.8
146.05960	1.4
147.07777	1.3
148.07570	1.7
149.09547	2.2
150.12724	1.4
151.11177	1.6
153.09178	1.8
155.05234	1.3
155.08273	1.6
155.10681	1.8
157.04103	1.3
159.11766	1.5
161.09593	1.4
162.02214	14.7
163.04024	1.3
163.07545	1.7
163.11215	1.3
164.07004	2.8
165.07367	1.1
165.09103	3.2
166.08580	1.8
168.08392	7.7
169.09100	1.3
170.02649	1.5
170.09970	5.0
172.03954	1.7
173.11740	4.6
176.07094	2.9
177.03310	2.0
177.07414	1.8
179.04829	19.1
181.06276	1.7
181.08562	1.5
182.09956	7.0
183.08421	1.2
183.10228	1.3
184.11554	2.3
185.03778	5.0
187.05379	3.2
189.11247	2.2
204.06534	1.9
211.12183	1.6
212.11032	5.5
231.04396	8.6
233.05901	6.4
237.10057	2.1
238.10828	2.9
239.11702	3.8
245.05893	1.8
248.11024	1.9
250.12675	1.9
251.11734	2.2
264.12158	1.6
265.09616	1.7
265.13348	3.3
268.13663	4.3
271.10989	2.0
273.12473	1.7
273.18500	1.3
278.10181	1.6
279.11258	14.6
280.11673	11.8
281.12607	1.5
283.54968	1.4
285.12628	23.7
287.13800	1.6
291.19571	14.7
293.12823	2.2
297.12405	11.9
298.12714	8.6
299.13522	1.7
305.15790	2.5
308.09027	7.2
309.12283	4.2
309.20541	2.9
310.12860	5.6
311.13568	2.1
315.13513	2.7
321.12451	1.9
321.18903	1.3
322.12689	1.7
323.16812	9.4
331.17535	1.7
337.11810	7.5
338.12219	10.2
339.13162	9.2
340.13669	8.6
348.19888	11.3
349.18250	9.3
351.21619	1.6
366.20950	15.8
367.19312	14.9
371.16260	5.9
372.16238	5.2
376.19315	1.8
384.22125	3.7
394.20285	3.5
422.57141	1.2
451.22507	5.1
460.18597	4.2
461.18875	10.1
469.17017	1.8
469.23679	21.1
479.19806	7.8
480.21054	1.9
481.21341	2.2
487.24698	100.0
511.22522	2.7
541.25385	1.7
559.26898	10.6
602.26831	8.0
616.28864	2.5
634.29456	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81643	1.2
53.03942	3.5
55.01882	3.4
55.05507	11.0
55.78181	1.6
56.05024	1.4
57.03437	3.2
61.02928	7.9
67.05504	10.2
69.03429	20.2
69.06733	1.7
69.07069	21.0
69.57031	12.3
70.06580	6.4
71.04987	3.6
73.02926	2.6
79.05502	7.2
81.03426	11.1
81.07053	7.8
83.01337	2.7
83.04987	15.3
83.08617	3.3
85.02904	35.5
85.06516	3.1
86.06037	2.9
86.09709	2.6
87.00848	8.4
91.03943	2.8
91.05483	12.8
93.07048	11.8
95.01334	6.1
95.04952	6.2
95.08604	22.4
97.02878	10.5
97.06536	4.8
97.10182	8.6
99.04449	6.1
101.05926	1.5
102.05507	1.4
105.01881	7.7
105.07030	23.2
107.04929	3.3
107.08586	13.4
108.04502	1.7
108.08144	1.7
109.02849	11.8
109.06503	3.5
109.10149	15.6
111.04452	2.7
111.08073	3.5
113.02351	2.3
113.06017	3.1
115.05484	1.6
116.10745	2.5
117.07043	4.2
119.03436	1.6
119.08582	52.7
119.16258	1.7
120.09354	3.3
121.06494	4.5
121.10142	25.7
122.05999	3.0
123.04442	3.0
123.06836	1.6
123.08064	8.9
123.11690	4.8
125.05995	4.4
125.09631	4.4
127.03922	21.0
129.01863	2.3
131.08543	3.9
133.06467	3.3
133.10130	72.3
134.10925	2.0
135.08035	6.9
135.11674	3.1
136.07594	2.1
137.05963	4.0
137.09613	2.8
139.03882	5.7
140.07062	2.5
141.01772	2.9
141.05467	2.5
143.03398	4.3
143.08507	1.8
145.04974	7.4
145.10121	5.7
147.02922	2.0
147.08015	3.2
147.11693	29.5
149.06032	2.1
149.09689	1.9
153.05461	4.5
153.09087	2.7
157.04953	5.7
157.10124	3.1
159.02885	4.8
159.06557	1.5
161.09589	4.1
161.13242	10.8
163.07632	1.7
163.11226	1.7
165.09171	1.8
167.06992	3.3
167.46814	1.4
171.10207	1.6
173.09590	2.6
173.13234	3.5
175.14824	100.0
176.15488	9.4
177.03979	8.6
177.05289	1.9
179.07048	5.4
179.10631	2.5
182.33229	1.5
183.06467	8.0
185.04466	1.9
185.08096	4.3
187.14804	3.5
191.10657	1.9
193.15884	5.1
195.10196	1.9
203.05429	7.5
203.14302	2.1
211.06032	7.9
211.09637	2.4
213.07607	3.8
215.05516	21.7
215.14214	1.9
217.08557	1.7
225.11162	9.0
228.15982	3.5
229.07112	21.8
231.05028	4.8
235.09645	2.1
243.08603	8.3
253.10719	4.2
257.10214	3.7
271.11755	28.4
274.21628	20.5
287.16638	1.9
292.22595	7.7
295.11667	1.9
305.17407	5.9
310.23721	17.8
323.18576	2.5
333.16925	5.0
351.18027	80.5
354.68430	1.7
358.22223	3.8
472.09561	2.2
472.29108	13.6
634.25348	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35952	1.0
67.05487	4.1
69.03413	2.4
69.07065	4.6
69.62234	3.6
69.62654	4.6
71.04998	1.1
75.12226	1.0
75.51038	1.1
79.05470	1.9
80.58070	0.9
81.03412	2.7
81.07044	3.8
83.04961	1.3
83.08627	1.2
85.02898	2.3
91.05488	2.7
93.07053	3.1
94.06559	3.1
95.04949	2.5
95.08569	2.0
96.08126	1.6
97.02856	1.3
97.06527	1.3
105.07023	2.3
106.06528	2.1
107.08585	2.7
108.08116	1.5
109.02911	1.6
109.10159	3.3
110.09653	1.9
118.06544	1.0
119.08585	2.0
120.08109	4.6
121.10123	1.7
122.06025	11.0
133.10135	1.9
134.06027	1.2
135.08095	1.4
135.83794	1.1
136.07571	16.8
138.09103	1.8
140.07069	14.3
146.05981	9.0
147.11694	2.1
148.07542	9.4
149.05994	1.3
149.09653	1.3
152.07071	3.9
153.01830	1.2
157.10175	1.8
159.11728	1.2
160.07578	1.5
163.03981	1.3
163.07558	4.6
164.06985	12.2
165.09166	1.8
166.08681	11.8
166.10007	2.0
171.11635	1.4
172.03935	6.9
174.05544	4.0
176.07080	13.4
181.08560	2.8
182.08936	1.0
190.04951	2.2
191.05666	1.3
192.06511	1.2
197.10704	1.3
198.00969	1.0
204.06569	8.7
206.08153	3.3
208.09738	1.8
209.10585	1.4
210.11501	2.6
211.12358	2.9
214.08331	1.2
221.10793	2.4
222.11636	1.2
223.12317	4.0
224.09319	2.0
224.13101	1.8
225.10202	3.7
227.11839	1.9
235.12415	5.0
236.09451	1.8
236.13052	1.9
237.10231	12.2
237.13853	2.1
238.10989	13.8
239.11783	13.8
241.09512	1.3
246.07504	1.6
248.09444	3.7
249.10263	6.3
250.10992	4.6
251.11830	15.7
252.12611	1.7
253.13394	5.8
261.12418	2.5
262.10944	1.2
263.11810	17.1
264.08923	3.3
264.12555	2.6
265.09784	5.8
265.13351	20.9
266.10410	2.3
267.11258	5.3
268.11874	1.5
271.10797	1.7
271.14398	7.7
275.11761	1.9
277.09653	4.8
277.13354	2.8
278.10538	4.3
279.11246	100.0
280.11987	8.6
281.12805	4.3
283.10785	2.2
283.14410	2.6
285.12326	3.5
287.13895	7.2
291.11237	5.7
292.12067	2.0
293.12735	7.2
294.13657	1.3
295.10785	3.5
295.14056	1.4
296.11621	4.2
297.12314	57.1
298.12976	5.5
299.13898	2.0
309.12311	29.2
310.13116	13.8
311.13760	6.4
313.11771	5.9
319.10760	3.6
321.12268	11.8
323.13907	2.2
324.11179	2.8
325.11987	5.3
331.13007	5.0
337.11804	55.9
338.12515	19.6
339.13376	69.4
340.14056	3.5
345.14447	2.3
347.15988	2.2
369.14423	12.5
370.15286	3.3
371.16025	37.5
385.14111	1.8
400.16556	2.2
416.19107	1.6
418.21112	2.1
424.76190	1.2
432.18854	2.3
438.20557	5.3
442.17700	2.3
444.18906	6.1
450.20255	1.8
460.18661	59.4
461.19321	4.1
462.19989	1.4
464.18396	1.5
464.58408	1.4
466.19678	2.2
476.22009	6.6
478.19693	41.0
479.20407	3.4
480.21204	12.5
492.21106	2.9
496.20706	1.6
502.68262	1.2
510.22253	14.2
583.24994	2.7
601.26520	37.5
633.28693	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05513	1.5
55.11822	0.8
56.96561	1.1
57.03429	0.9
67.05489	3.2
67.92646	0.8
69.03416	1.2
69.07050	3.0
71.58452	1.2
71.58833	1.2
79.05475	2.8
81.03432	0.9
81.07053	2.6
85.02908	1.0
91.05488	3.9
93.07027	1.1
94.06564	0.9
95.04980	1.2
95.08602	1.8
97.06509	1.3
99.49036	0.8
103.05431	0.9
105.07028	2.5
107.04959	1.5
107.08580	2.1
109.10155	2.1
111.55350	0.7
117.07072	0.8
119.08574	1.8
121.10126	1.3
122.06052	6.8
133.10204	0.8
136.07594	4.2
140.07121	1.6
143.08531	0.9
145.10120	1.0
146.05986	0.8
151.07433	0.8
157.10143	1.0
162.05597	0.8
163.03922	2.1
173.09723	1.0
180.05089	0.7
199.08638	0.8
211.08789	1.3
213.10338	1.9
215.11902	1.2
223.12366	1.3
225.10196	3.1
227.11841	2.8
235.08553	1.8
236.09322	1.1
237.10187	3.8
239.11826	1.6
249.10252	6.3
250.10957	1.9
251.11810	8.0
252.08983	1.1
252.12585	2.6
253.09729	1.5
253.13341	2.3
261.10074	0.9
263.11884	4.9
264.12503	2.9
265.09644	2.4
265.13312	4.7
266.14096	1.5
267.11133	1.4
269.12823	1.0
279.11197	3.1
280.12106	1.0
281.12769	2.4
283.01837	1.4
283.10645	0.9
284.11710	1.1
285.12192	1.7
287.13895	1.5
291.11084	1.0
292.11884	0.9
293.12866	2.1
295.10669	1.3
296.11526	2.7
297.12347	4.8
307.10248	0.8
309.12216	3.1
310.13159	2.0
311.13837	3.8
312.14819	1.4
315.14383	1.0
316.14459	1.4
316.20227	1.0
321.12018	0.9
330.15924	1.0
331.13034	1.2
337.11713	1.3
339.13455	1.6
342.16141	1.1
344.13980	5.1
344.17676	1.5
345.14642	1.1
356.13736	1.5
357.14764	1.3
358.15512	3.0
359.16205	2.6
360.16968	2.2
368.17490	1.0
369.14706	1.9
371.16296	1.7
372.17233	4.1
375.19312	1.5
385.17694	1.6
386.18719	6.4
387.15546	1.7
400.16595	1.4
414.18201	6.0
432.19162	38.7
433.19986	4.0
459.14505	1.4
460.18747	8.8
461.19241	0.9
480.21381	1.1
492.21280	100.0
493.21872	4.2
555.25793	0.9
573.27185	12.8
601.26453	11.5
633.19812	2.0
633.29071	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.78169	1.0
55.05503	1.8
66.06351	0.9
67.05503	2.9
69.03422	1.5
69.07062	2.1
69.57526	2.8
69.57955	5.0
71.74039	1.0
79.05491	5.5
81.03390	1.2
81.07057	1.4
81.16182	1.0
85.02894	2.0
85.11791	0.9
91.05482	2.9
93.07053	3.4
95.04980	1.8
103.05460	4.4
105.07024	14.5
107.08611	2.3
115.05476	1.2
117.07009	1.5
117.83710	1.0
119.08571	1.3
121.06499	1.4
123.08054	1.2
131.04910	1.6
131.08565	1.7
133.06482	4.2
135.04462	1.2
137.02330	1.0
147.08041	1.1
149.05995	5.9
151.07607	2.2
161.05981	4.3
163.07539	100.0
164.07935	1.6
167.07027	2.2
181.08589	67.5
182.08885	1.7
189.09108	6.1
189.10677	1.1
191.10561	1.2
205.12233	1.2
207.10132	3.0
217.12279	3.4
284.41837	1.2
311.12488	1.7
329.13788	2.8
367.19022	11.4
377.18466	1.1
385.20187	1.7
391.18988	2.0
453.33377	3.5
520.70123	1.1
601.26947	1.3
633.28979	1.1
633.39532	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81468	1.0
55.01857	1.7
55.05523	1.1
67.05499	2.4
69.03413	1.5
69.07063	2.5
70.87402	2.9
79.05480	4.6
79.05922	1.0
81.03410	2.3
81.07050	2.7
85.02896	1.9
91.05476	3.7
93.07038	3.6
95.04967	2.6
95.08605	1.9
97.02861	1.3
103.05456	4.4
105.07028	10.8
107.04919	1.8
107.08579	2.0
109.10146	1.9
119.08633	1.1
121.10135	1.6
127.03893	1.1
129.06987	1.5
131.08650	1.4
133.06462	4.1
133.09995	1.2
135.08031	2.0
147.11662	1.4
149.05986	3.6
151.07536	3.4
161.06021	6.3
161.09637	1.4
163.03899	3.3
163.07542	100.0
164.07877	2.3
171.11731	1.4
175.07593	2.0
181.08591	81.8
182.08867	2.7
189.09116	5.3
191.08766	1.2
191.10594	1.3
207.10069	1.7
217.12245	10.2
242.64166	1.1
305.77380	1.2
312.72635	1.2
324.76218	1.0
341.98514	1.1
367.19104	5.9
385.20120	3.1
448.03473	1.2
633.40149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.6
69.03439	1.2
70.06579	2.0
71.04983	1.7
71.57731	1.2
72.08150	1.0
81.03399	0.6
84.08118	1.1
85.02910	3.0
86.09686	0.9
95.08605	0.8
97.02877	0.8
99.47112	0.6
107.08560	0.6
108.08122	0.6
123.05520	1.1
124.07618	0.6
127.03899	0.9
128.07114	2.4
135.43494	0.6
145.05026	0.7
158.09955	0.6
159.30280	0.6
167.46986	0.7
168.06580	0.6
214.91022	0.6
303.05005	0.7
309.11298	2.4
324.02402	5.1
325.03207	1.8
331.09995	14.3
331.23712	0.7
349.25003	1.0
358.27539	0.6
367.25900	1.9
633.14246	100.0
634.14935	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.8
55.01876	3.9
55.05510	9.1
58.99586	11.1
61.57887	1.2
65.03927	1.6
67.05498	12.0
69.03441	3.1
69.07072	11.8
69.76939	7.2
70.02974	1.8
70.06588	1.6
71.05016	1.7
72.78687	1.0
73.01111	1.3
73.70728	1.2
74.00655	2.5
76.02228	34.2
76.04018	2.2
79.05482	11.6
80.05013	3.5
81.03451	2.7
81.07061	19.6
82.06583	1.3
83.04997	3.8
83.06097	5.8
83.08614	7.0
84.04503	14.1
85.02906	2.6
85.06528	1.7
86.00632	2.0
86.09695	1.6
86.99058	3.5
88.02227	1.6
91.05483	9.2
93.07057	7.8
94.06591	1.7
95.04979	5.0
95.08596	8.0
97.01117	2.4
97.02905	2.2
97.06547	3.5
97.10173	6.5
99.05598	1.9
105.07013	6.0
106.06499	1.4
107.04956	3.2
107.08598	8.3
109.02898	2.0
109.06523	4.6
109.07698	1.3
109.10157	6.4
111.02694	2.0
111.04438	1.8
111.08096	1.7
112.02213	3.7
113.00586	3.1
114.03712	1.5
116.01675	14.1
117.07022	3.9
118.06576	1.7
119.08601	6.1
120.08089	1.7
121.06493	2.6
121.10182	1.5
122.06033	2.8
123.08077	4.4
123.11694	1.1
124.02190	6.8
124.07581	9.0
125.04250	1.2
125.07951	2.4
125.09625	4.8
126.03739	4.4
127.03960	1.5
129.06673	4.2
130.05038	6.1
131.08539	2.8
133.10133	2.0
135.08047	3.3
135.11720	2.3
137.09618	2.3
138.03751	2.0
139.02139	1.0
140.01610	1.3
140.07022	2.2
141.04880	1.1
142.03214	5.3
143.08549	2.7
144.01109	5.8
145.06177	3.9
145.10115	3.3
145.99248	1.1
146.06046	3.8
147.08015	2.4
147.11623	1.2
148.11221	2.0
149.06053	1.5
149.09673	1.7
150.03745	1.5
151.05750	2.3
152.07069	1.2
153.06592	1.3
153.12759	4.4
156.08075	1.2
157.10124	1.8
159.08072	2.1
161.09659	3.2
162.02199	13.7
163.07552	3.8
163.11143	2.3
165.09145	1.1
170.02747	1.8
172.04021	3.2
173.04280	2.0
173.09608	2.3
174.05533	3.1
175.05859	1.4
176.07022	1.6
177.03352	3.4
177.07407	3.8
179.04840	17.6
180.08414	1.5
181.06210	1.7
181.08443	1.5
181.12259	1.5
185.03848	3.2
187.05492	2.8
188.03775	1.3
189.11230	1.9
192.08456	2.8
193.06889	2.4
193.12193	1.5
194.10039	4.3
195.08398	2.3
204.06636	6.4
205.06825	2.2
207.08392	1.6
215.04810	1.4
222.09363	1.6
224.11214	1.9
227.12807	3.2
230.11668	1.1
231.04297	7.7
233.05922	6.7
236.10977	2.0
238.12630	1.8
240.10573	3.9
242.12115	1.8
243.11392	2.2
244.11620	1.5
248.11061	1.5
254.11978	1.5
254.14214	1.3
266.12131	2.8
269.12970	1.4
270.12994	1.1
271.11075	1.1
271.17038	1.6
278.12140	2.4
283.11127	2.0
285.12354	2.3
286.12656	1.9
287.10376	1.2
287.14111	1.6
289.18030	10.0
293.15479	1.3
297.12515	3.4
298.12787	2.1
303.13474	7.2
304.13840	5.1
307.19058	4.4
308.09088	6.3
311.14151	5.1
313.12155	1.5
315.13428	2.8
316.13852	2.4
321.15176	9.6
325.12146	1.3
329.15237	2.3
331.12885	1.4
345.14615	3.8
346.18491	7.6
347.16537	4.1
357.14771	8.4
364.19376	21.4
365.17728	7.7
369.14651	3.2
373.13834	1.6
375.15472	1.3
382.20352	6.9
387.15552	4.1
388.16010	2.1
392.18997	1.6
398.14828	2.3
401.16925	1.7
405.16101	1.8
415.14832	2.7
416.15744	3.5
417.16357	6.0
434.16483	1.5
447.17529	1.9
448.17709	1.3
449.20813	2.8
459.17444	2.4
467.22095	21.7
474.16641	2.3
475.17123	7.1
476.17880	4.4
485.23178	100.0
486.23486	2.8
557.25311	11.0
582.23773	2.3
596.26050	1.8
600.25415	20.6
632.28088	2.0
632.33759	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
55.05507	3.8
67.05502	7.3
69.07073	2.9
70.19008	5.0
79.05487	7.4
81.07037	5.6
83.08623	1.3
83.80265	0.9
85.02882	1.5
91.05473	14.5
93.07027	5.8
95.04980	2.6
95.08627	4.2
97.10143	1.2
103.05473	1.1
105.07015	7.7
107.04984	1.5
107.08587	7.2
109.06511	1.8
109.10162	3.0
115.05460	2.7
117.07027	3.1
119.04947	10.3
119.08582	4.5
121.06499	1.9
121.10144	2.3
123.04422	5.9
123.07976	1.1
125.09659	1.0
128.06207	19.4
129.07039	2.2
131.08565	4.2
131.50343	1.0
133.06465	2.6
133.10094	1.9
135.04454	1.3
135.08057	2.1
135.11682	1.0
137.05948	6.7
141.07010	2.1
142.07773	1.8
143.08549	29.4
145.06493	4.0
145.10155	3.3
147.04376	2.6
147.07980	1.8
147.11736	2.0
149.05968	30.6
149.07112	1.8
151.07539	24.5
153.06985	1.1
155.08553	1.5
157.10143	1.7
159.11685	3.2
159.65518	1.0
161.05975	4.5
161.09607	1.2
161.13315	1.0
163.07535	8.8
171.08040	61.5
172.08829	1.2
173.05916	7.0
173.09624	2.8
173.11768	1.2
173.13211	1.7
174.06804	1.5
175.07571	8.2
177.09103	3.9
179.08548	1.5
182.07352	1.3
183.80388	1.1
185.09648	11.7
187.07555	2.4
188.08333	1.6
189.09105	9.0
189.10896	1.3
191.10687	2.6
199.60361	1.1
201.09157	4.3
201.12903	1.0
203.10652	100.0
213.09094	1.3
215.10657	1.7
227.10666	2.3
229.12248	6.4
231.10159	6.2
237.09093	1.2
237.17036	1.0
239.10713	1.7
241.12155	1.5
243.13992	1.3
253.12202	1.6
269.15323	1.9
275.20050	1.9
283.09741	3.1
285.11249	5.1
309.18451	2.0
323.12927	1.2
391.18463	1.1
397.23651	2.5
423.25912	1.5
477.30292	2.5
495.30972	1.8
613.35254	4.8
631.36847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05522	1.8
62.42068	1.2
64.58240	1.1
67.05504	4.1
69.03419	3.1
69.07056	5.0
69.77641	3.7
69.78054	3.7
79.05485	4.9
81.03404	1.5
81.07036	4.2
85.02911	2.0
91.05482	4.4
93.07040	3.4
94.06566	5.8
95.04958	4.2
95.08598	2.8
97.02887	2.3
97.06539	1.6
99.04447	1.3
103.05511	1.7
104.10721	4.4
105.07027	9.8
107.04972	2.0
107.08603	2.2
108.08088	1.7
109.02850	1.5
109.06478	1.6
109.10154	1.8
110.06054	1.3
112.07664	1.4
116.04940	1.9
119.08586	2.1
120.08068	1.4
121.10129	1.9
122.06023	17.6
123.04433	2.1
125.09717	2.2
127.03941	1.5
130.62964	1.2
131.08580	2.5
132.23058	1.3
133.06418	1.9
133.10095	1.8
134.06023	2.7
136.07629	1.7
137.05936	1.9
140.05975	1.4
140.07051	27.1
140.08090	1.9
143.08569	2.3
144.04440	4.0
145.10056	1.3
146.05994	12.7
147.04417	1.9
147.06784	1.3
148.07570	3.5
149.05986	1.9
149.09619	1.3
153.07137	1.3
161.05867	1.4
162.05522	3.9
163.03920	3.4
163.07535	77.0
164.07982	1.6
165.09145	1.9
166.67160	1.4
167.07127	1.4
172.03940	24.4
174.05463	10.2
176.05693	1.2
176.07030	6.8
178.08733	1.7
181.08588	57.4
187.11209	1.4
189.09093	5.1
190.04874	3.0
192.06609	1.8
199.12350	2.2
203.10666	3.9
204.06548	44.2
206.08138	21.0
209.86215	1.3
210.09123	1.5
211.08807	2.1
212.09323	1.4
215.10538	2.3
216.10370	1.3
225.10185	6.2
227.11789	14.8
238.10936	2.8
239.11813	4.2
240.12418	1.3
246.11334	1.4
251.07883	2.0
251.11670	2.0
253.09637	4.0
255.10959	1.3
261.12415	2.2
265.09692	3.8
267.11221	1.4
269.12833	10.5
271.10614	5.8
279.11261	3.0
283.10757	8.6
284.11505	6.6
285.12296	5.0
287.13882	26.7
295.10632	2.7
296.11713	1.7
297.12338	4.9
300.12100	2.7
301.12088	4.6
313.11755	9.8
314.12955	2.3
315.13489	3.2
316.14444	5.5
323.10110	2.2
327.13477	1.8
327.17197	1.4
328.14612	3.6
329.11649	2.8
329.15219	2.5
330.12122	3.2
330.16025	7.3
331.12903	7.8
331.16818	7.2
332.17496	1.5
342.12399	5.4
343.13046	3.1
344.13806	2.6
344.17603	6.2
345.14432	21.0
346.18875	1.5
355.13928	1.8
356.13788	6.0
357.14828	5.0
358.15277	7.4
363.15479	2.9
365.17270	5.4
367.13391	1.5
368.13824	1.5
370.11682	1.7
370.15656	3.8
370.96188	1.3
372.17017	5.0
382.11807	3.5
383.12363	4.5
383.18423	2.1
383.26544	2.0
384.13281	12.7
385.14102	4.1
386.14868	5.4
386.18808	3.3
388.16614	1.6
390.18011	5.8
391.18668	1.6
398.14981	16.3
399.15744	25.3
400.16492	36.3
402.14053	1.7
403.19089	1.4
412.16293	2.6
414.17947	3.4
415.18985	1.8
416.16135	2.7
417.16766	8.6
418.17545	9.9
430.17395	2.7
431.18295	2.8
440.16138	3.3
444.15564	2.2
458.17062	42.2
459.17752	26.7
460.18533	5.2
490.19666	9.2
491.20255	5.6
545.33014	1.6
555.25806	1.8
557.23901	4.5
581.23889	7.7
587.33508	5.1
599.24976	100.0
600.24817	4.2
629.71167	1.6
631.33783	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52149	1.6
67.05486	2.4
69.07055	4.6
70.06588	1.4
70.78802	4.3
75.83622	1.5
77.55347	1.8
77.66153	1.4
81.07045	2.8
91.05503	1.9
94.06558	6.3
95.04947	3.3
97.06548	1.7
105.07038	1.9
108.08086	1.8
112.07576	1.9
122.06020	15.6
136.61697	1.6
140.07068	24.4
141.07193	1.5
144.04411	2.8
146.06003	13.9
148.07532	2.4
161.06030	2.3
162.05508	2.1
163.07549	7.3
172.03920	14.2
172.07590	1.6
174.05482	14.2
176.07080	4.8
176.19148	1.4
190.04907	3.1
191.05750	2.6
204.06534	25.8
205.07062	1.6
206.08199	8.5
211.08496	2.3
223.51987	2.0
225.10197	4.0
227.11798	12.2
230.12640	1.6
237.10156	2.5
239.11760	4.7
241.09677	2.9
251.11848	3.6
253.09688	3.1
267.11060	2.3
269.12909	11.8
271.10754	3.8
277.09833	2.7
281.09290	1.6
283.10815	11.4
284.11600	4.7
285.12262	6.2
287.13882	25.4
295.10599	2.2
297.12366	3.5
300.12335	1.8
301.12131	5.5
312.15244	2.0
313.11765	28.7
314.12766	3.1
315.13715	2.5
316.14420	7.8
327.13785	1.8
328.14450	4.0
329.11578	3.9
329.15161	3.5
330.15982	5.4
331.12854	11.0
331.16699	6.8
332.17535	1.7
342.12375	5.4
343.13025	4.7
344.13873	3.1
344.17599	6.9
345.14392	13.5
356.13861	3.1
357.14856	2.8
358.15741	7.7
360.82190	1.6
369.11243	2.2
370.11514	1.8
370.15747	2.6
372.17004	6.1
380.13934	1.7
382.11545	2.7
382.15927	2.2
383.12866	2.3
383.27216	1.6
384.13251	11.4
385.14105	3.7
386.14987	4.3
390.18234	6.0
398.14951	15.4
399.15811	22.6
400.11734	2.1
400.16602	33.6
414.17999	5.0
415.18680	2.8
416.16010	3.2
417.16827	7.6
418.17783	8.7
430.17651	3.6
431.18262	2.4
440.16083	3.3
444.15561	2.2
458.17130	43.9
459.17807	28.2
460.18668	5.2
490.19476	5.1
491.20410	4.7
557.24036	5.2
581.23810	8.7
599.24976	100.0
600.25006	4.8
631.26721	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
58.06590	1.6
60.08166	4.6
62.06076	2.5
67.05499	3.8
68.67532	0.9
69.03410	1.5
69.07067	7.5
69.37817	10.0
70.06592	1.5
79.05492	3.1
81.03413	2.0
81.07063	4.9
84.08169	1.4
85.02894	1.6
91.05471	4.1
93.07034	3.2
93.92257	0.9
94.06558	9.3
95.04961	4.3
95.08601	2.8
97.02876	1.1
97.06524	2.1
98.06081	1.2
103.05452	2.7
104.70197	1.0
105.07011	3.2
106.06533	1.3
107.08571	1.1
108.08106	3.1
109.02877	1.1
109.10147	2.4
110.06016	2.1
112.07558	2.3
116.05024	1.1
119.07362	1.2
119.08527	2.1
120.04472	0.9
120.08104	12.7
121.08431	4.3
121.10165	1.7
122.05159	1.8
122.06024	29.0
124.07550	1.1
125.09649	1.1
127.03887	2.2
130.06523	1.6
131.04926	2.7
131.08586	1.7
132.05261	2.2
133.08888	1.2
134.05998	3.6
135.08057	1.4
135.11717	1.0
136.07555	1.3
137.05968	2.4
137.09566	1.1
140.07056	48.1
144.04442	4.1
145.10144	1.3
146.06004	18.9
148.07568	4.3
148.11221	8.6
149.06013	1.4
152.07104	1.8
158.06085	1.1
159.11720	1.5
160.07564	1.0
162.05504	4.4
163.03864	1.5
163.06351	1.3
164.10689	2.2
172.03940	22.2
172.07588	1.4
172.57013	1.0
174.05501	22.0
176.07048	10.2
177.09114	1.2
182.08246	1.1
182.09692	1.4
186.09108	2.0
190.05005	3.6
191.05711	4.5
192.06560	3.8
195.09322	1.0
197.10791	3.7
199.08748	1.5
199.12297	3.1
204.06560	42.6
206.08086	16.2
206.09842	1.3
210.09218	1.6
210.11430	1.1
211.08643	3.0
211.12688	1.0
212.09216	1.6
213.10303	2.2
216.10188	1.2
221.10440	1.1
223.08620	1.9
223.13011	1.2
224.09253	1.8
225.10277	7.3
226.10899	1.2
227.11755	16.8
235.08618	1.5
236.09601	1.1
237.10266	3.6
238.11011	2.8
238.37784	1.1
239.11838	5.1
241.09723	3.1
249.10240	3.6
250.10814	1.3
251.08008	1.4
251.11703	6.1
253.09749	4.7
253.13437	1.8
255.11285	1.7
261.12509	2.4
263.08154	1.8
263.11798	2.8
264.08844	1.3
265.09689	4.2
267.11349	2.7
269.12811	13.6
271.10690	4.7
277.09729	3.0
279.11246	2.4
281.09262	1.0
283.10709	13.9
284.11545	6.5
285.12308	9.4
287.13892	34.4
295.10791	2.7
296.11823	1.5
297.12299	5.9
300.11688	2.1
301.12183	4.8
302.12817	1.9
309.12146	1.6
310.12903	1.1
312.11893	1.1
312.15155	2.6
313.11792	44.1
314.12845	3.6
315.13937	5.0
316.14481	8.6
317.15201	1.3
323.10141	1.6
325.12155	1.2
326.16388	2.4
327.13809	2.2
328.14511	5.4
329.11880	4.6
329.15228	4.3
330.12292	3.3
330.16055	7.8
331.12845	18.6
331.16788	9.2
332.17267	1.9
337.11728	1.5
338.12454	1.3
341.12360	1.8
342.12439	6.7
342.16113	1.8
343.13275	6.0
344.13919	1.6
344.17557	9.7
345.14447	16.6
346.15427	1.2
354.12198	1.5
355.13678	2.7
356.13940	7.0
357.14801	4.3
358.15396	12.7
365.11551	1.5
367.13483	1.3
368.13840	1.3
369.10895	1.5
369.15198	1.0
370.11530	1.7
370.15533	3.8
371.12653	1.3
372.17151	7.5
374.18600	1.2
380.14072	1.5
382.11426	5.0
382.16031	1.6
383.13193	2.9
384.13336	16.9
384.17545	1.8
385.14178	5.4
386.14435	5.6
386.18845	3.7
388.16370	2.7
390.18112	9.6
398.14920	19.5
399.15756	31.0
400.16559	37.6
401.17120	1.2
402.14389	3.0
412.16351	3.1
414.18311	6.8
415.18967	1.7
416.15985	3.9
417.16785	9.5
418.17587	13.7
430.17773	5.1
431.18350	2.7
440.16000	5.5
441.16800	1.8
442.17380	1.5
444.15485	2.2
458.17081	53.5
459.17828	34.1
460.18506	8.0
474.17328	1.6
490.19708	7.9
491.20377	3.4
555.26227	1.3
557.23749	6.2
572.26459	6.6
581.23718	12.5
582.23224	1.2
587.20294	1.4
599.24976	100.0
600.24988	4.4
603.34753	6.6
631.34210	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54071	1.7
55.01864	3.3
55.05502	2.1
67.05507	5.1
69.03424	3.3
69.07058	6.3
69.38078	12.4
69.86493	1.5
70.06582	1.6
71.04987	1.4
72.08148	1.7
79.05482	4.5
81.03404	2.8
81.07047	5.6
83.04986	1.5
85.02896	3.2
85.06539	1.7
87.32250	1.4
91.05478	4.5
93.07060	5.1
94.06578	7.7
95.04970	6.0
95.08602	5.6
97.02897	2.4
97.06518	3.4
105.07041	4.1
106.06532	1.5
107.04978	3.0
107.08584	3.2
108.08063	1.5
109.02880	1.9
109.06494	1.8
109.10185	3.1
112.07626	2.0
118.06561	1.6
119.08578	2.9
120.08073	2.1
120.11232	1.5
122.06036	21.2
124.07607	3.5
127.03949	2.4
133.10132	2.4
133.19992	1.6
134.06004	3.2
136.07559	2.7
137.05954	3.2
140.07065	35.6
143.08516	1.9
144.04427	2.0
146.06007	16.5
147.11671	2.1
148.07581	3.6
149.05965	4.3
151.07452	1.6
154.04977	1.8
162.05540	2.3
163.03931	4.8
163.07547	6.9
167.07086	2.5
172.03943	17.0
173.04626	1.6
174.05504	18.4
176.07079	9.8
181.08597	3.5
190.04977	3.5
191.05765	3.4
192.06660	2.9
197.04605	1.5
197.10683	1.8
199.12361	2.2
204.06564	29.0
206.08102	12.5
209.10645	1.8
211.08696	3.0
212.09348	2.0
216.10440	1.6
223.08801	1.6
225.10222	6.0
226.11066	1.7
227.11827	12.6
228.10185	1.9
237.10265	3.7
239.11778	6.4
241.13210	1.6
243.11211	2.0
249.10193	5.2
250.11015	3.4
251.11789	5.9
253.09732	4.2
255.11349	1.6
262.10916	1.8
263.11777	25.1
264.12466	2.0
265.09738	5.4
266.10388	1.8
267.11328	3.1
269.12793	16.9
271.10825	6.2
277.09753	4.9
279.11157	10.4
283.10843	12.1
284.11536	5.7
285.12265	7.7
287.13928	34.7
291.11182	9.1
292.12088	3.1
293.12695	2.2
294.09943	2.0
295.10742	4.8
297.12387	7.8
301.12109	5.0
302.12918	2.0
303.04990	4.4
303.13544	3.6
309.12265	10.1
313.11768	32.5
314.12933	3.7
315.13748	3.1
316.14517	6.1
323.10333	3.2
323.13870	11.9
325.11783	1.7
326.16650	3.6
328.14462	5.3
329.11557	3.9
329.15274	5.1
330.12222	4.1
330.16068	7.5
331.12900	15.1
331.16837	8.5
336.11063	7.6
337.11728	8.3
338.12561	1.9
342.12262	7.9
343.13116	5.5
344.13995	2.2
344.17648	6.8
345.14468	12.1
354.15915	3.1
355.13147	2.4
356.13998	5.0
357.14798	4.0
358.15430	10.7
363.15625	2.1
367.13092	10.2
368.13873	8.2
368.17691	2.0
369.14502	20.7
370.11365	2.4
370.15390	10.6
372.17065	5.5
382.11957	4.7
383.12607	3.0
384.13370	13.8
384.17593	2.5
385.14063	5.3
386.14816	4.5
386.19116	2.0
388.16666	3.5
390.18057	5.6
391.18411	1.7
398.14911	17.8
399.15814	23.3
400.16632	36.4
402.14447	4.6
412.16754	2.3
414.18283	7.6
416.15945	4.1
417.17056	7.1
418.17685	9.5
430.17740	3.0
440.16040	4.0
441.16620	2.6
444.15378	2.7
448.18634	1.8
458.17065	49.1
459.17944	27.3
460.18591	8.0
474.17349	3.6
476.18246	3.4
478.19601	7.0
490.19522	8.5
491.20435	4.8
508.20734	17.4
510.22296	6.7
555.25446	3.4
557.24030	6.9
581.23944	12.9
587.33954	2.5
599.25000	100.0
600.25006	3.1
613.31482	5.2
631.26385	4.9
631.34302	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60131	0.7
52.28354	0.7
53.99056	0.7
55.05511	0.8
63.70296	0.7
65.03957	1.0
67.05506	2.2
68.05027	1.9
69.03425	1.6
69.07062	4.9
69.53113	0.8
69.53435	7.0
79.05482	1.7
79.79825	0.7
80.04990	0.9
81.07056	2.7
85.02916	1.0
88.08162	0.8
89.96939	0.8
91.05474	2.7
92.87730	0.9
93.07045	2.3
94.06556	4.9
95.04977	2.5
95.08591	1.0
96.08131	2.7
97.06527	1.5
98.21583	0.9
105.07020	1.4
106.06554	1.4
107.04926	1.0
107.08574	1.5
108.08116	2.2
116.05011	1.6
117.06963	1.0
118.06532	2.3
119.08580	1.4
120.04485	0.8
120.08086	2.0
121.05244	1.2
122.06037	13.1
124.07584	48.1
131.04980	1.1
133.10127	1.5
134.06012	3.0
136.07599	1.9
140.07065	13.7
141.22009	0.8
144.04433	3.5
146.06006	21.3
147.06729	1.3
148.07527	4.1
148.11200	2.0
152.07135	2.4
155.08455	0.9
160.07574	1.7
162.05495	3.9
163.03932	1.6
163.06287	2.0
163.07536	1.8
164.07008	0.8
166.08746	0.9
170.09708	1.2
172.03935	24.2
173.04709	2.9
174.05502	20.2
174.09126	1.1
175.06265	1.1
176.07065	14.4
181.08649	0.9
188.07068	1.4
190.05037	3.1
191.05772	6.5
192.06482	4.2
197.07045	1.1
197.10753	2.0
198.07770	1.1
198.09399	1.2
198.11568	1.1
199.08617	2.2
199.12279	1.2
201.10265	1.5
204.06552	40.5
206.08148	14.4
208.88530	0.8
211.08707	3.1
212.09413	2.7
213.10260	3.8
214.10933	1.5
215.11778	5.0
221.10753	1.0
223.08664	1.5
224.09406	2.2
225.10194	6.2
226.08743	1.1
226.10956	1.4
227.08244	1.2
227.11710	7.4
235.12328	0.9
236.09337	1.0
237.10161	4.3
238.11037	2.4
239.11815	3.4
240.08844	1.3
241.09790	3.7
243.11276	17.4
245.12782	2.2
249.10222	1.6
251.08199	1.0
251.11789	3.6
253.09749	2.6
254.10562	1.1
255.07663	1.1
255.11324	2.3
256.11938	1.4
257.09232	1.2
257.12842	1.0
261.12363	1.6
263.08313	1.4
263.11658	1.6
264.08969	1.1
265.09790	4.6
266.10480	1.5
267.11240	2.8
269.09290	2.7
269.12863	13.2
270.09991	1.3
271.10727	2.8
271.14468	2.3
277.09695	2.3
278.10889	1.0
278.33707	0.8
279.11267	4.0
281.09335	1.0
281.12964	1.0
283.10724	7.7
284.11597	3.9
285.12341	16.4
287.10422	3.0
287.13928	12.3
288.11569	1.3
289.05405	1.5
290.13107	1.2
293.13080	1.1
295.10736	1.5
296.11505	1.4
297.12329	25.8
298.13028	1.5
299.10455	4.1
299.13803	1.1
300.11520	1.2
301.11917	4.2
302.13071	2.6
303.13406	53.6
304.14267	3.1
309.12335	1.5
311.10275	1.1
313.11774	13.3
314.12970	2.4
314.16672	1.4
315.13449	15.1
316.10941	1.6
316.14438	4.8
317.15277	2.0
318.15948	4.9
319.16843	2.7
323.10239	1.9
323.13913	1.1
324.11053	1.2
325.11734	0.8
326.16541	1.2
328.11060	1.2
328.14606	2.3
328.25790	0.8
329.11526	2.7
329.15009	11.0
330.12338	4.4
330.15512	4.4
331.12970	9.6
331.16721	2.9
332.13907	0.9
332.17575	1.4
337.11707	1.8
339.14063	0.8
340.10956	1.0
341.12430	1.5
342.12512	2.4
342.16107	1.3
343.13336	3.5
344.13907	4.3
344.17654	2.8
345.14578	8.3
346.15503	5.7
347.16483	4.6
354.12241	1.1
354.16183	0.9
355.13367	1.5
356.14050	3.8
357.14926	2.8
358.11990	1.3
358.15619	6.9
359.16550	1.9
360.16974	4.3
367.12946	1.6
368.13849	1.1
369.15213	2.0
370.11850	2.3
370.15573	2.6
371.12659	2.5
371.16742	2.0
372.13223	8.5
372.17087	1.5
373.14316	3.5
374.14871	5.4
376.16577	1.6
378.17999	1.4
379.18610	1.2
382.11722	1.7
383.12839	1.4
384.13144	5.9
384.17578	1.3
385.14355	2.9
386.14886	13.4
387.15829	8.8
388.16492	8.7
390.18164	3.2
398.14948	8.6
399.15826	9.5
400.16711	12.4
402.14334	2.6
402.18723	1.4
404.15970	3.2
405.16956	2.4
406.17557	7.6
407.18323	1.1
412.16611	1.3
414.13794	5.5
415.15179	17.9
416.15994	21.5
417.16833	3.8
418.17645	7.4
424.80219	1.1
428.16052	2.3
430.17548	6.9
431.18027	2.2
432.15509	2.9
433.16095	4.4
434.17093	5.3
440.16101	2.1
446.17056	6.8
447.17758	1.6
456.15479	3.9
458.17084	19.3
459.17859	11.3
460.18594	2.2
474.16595	36.0
475.17361	24.6
476.18076	9.6
490.19479	3.9
491.20233	2.2
506.19312	5.3
507.19785	2.4
508.20599	2.1
555.25769	2.4
557.23749	5.4
581.23846	11.7
587.20563	1.3
587.34222	1.1
599.24994	100.0
600.25244	3.2
614.62842	0.9
631.33380	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01863	0.8
55.05497	0.5
63.02056	0.3
67.05495	0.8
69.03409	0.8
69.07051	0.7
70.90009	0.4
70.90332	0.5
71.05000	0.5
77.03938	0.6
79.05495	2.7
81.03400	1.0
81.07034	0.5
85.02893	1.2
87.00813	0.7
91.05482	1.8
93.07025	0.7
95.04951	1.6
97.02890	0.6
103.05460	3.5
104.10747	0.5
105.01859	0.5
105.07028	10.5
107.04935	0.4
107.08566	0.7
109.02853	0.4
109.06529	0.4
109.10154	0.5
115.05405	0.8
117.07002	0.7
119.04901	0.4
120.05736	0.5
121.06490	0.4
122.05997	0.9
123.08049	0.5
127.03912	0.7
129.07004	0.5
131.04926	1.8
131.08533	0.3
131.35489	0.3
133.06470	2.3
133.10110	0.4
135.04411	1.8
135.08034	1.4
137.05960	0.7
140.07057	1.4
140.85629	0.3
144.04407	0.4
145.06406	0.6
146.05971	0.8
147.04395	0.9
148.05125	0.9
149.05965	1.4
151.07533	0.7
159.08086	0.5
161.05983	1.0
161.09586	0.4
163.07527	100.0
164.07877	1.3
165.09116	0.4
171.08031	0.6
172.03917	0.9
173.06027	0.5
174.05470	0.5
174.06792	0.7
175.07515	0.7
176.06958	0.5
177.09093	0.4
181.08582	81.4
182.07358	0.4
182.08942	0.6
186.06512	0.4
187.07512	0.4
187.11095	0.4
189.09091	7.2
197.09538	0.4
201.09196	0.5
203.10658	5.6
204.06549	2.5
205.08627	0.5
206.08109	0.7
207.10118	1.8
215.10632	3.7
225.10025	0.4
227.11868	0.4
249.07339	0.5
271.10706	0.4
283.10666	0.6
285.12192	0.5
287.13763	1.1
331.12692	0.7
342.12299	0.4
345.14413	1.5
358.15353	0.6
365.17465	6.8
383.18445	3.4
384.13229	0.4
398.14886	1.0
399.15454	1.1
400.16507	2.0
418.17444	0.6
429.13672	0.7
458.17169	1.9
459.17737	1.1
487.92194	0.5
491.20718	0.5
581.23511	0.5
587.33521	0.8
599.16455	0.4
599.25037	5.1
631.33435	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59067	2.2
57.03416	2.3
67.05502	7.5
69.03421	6.8
69.07059	9.2
70.06590	9.7
71.04986	4.8
71.58209	4.1
74.06068	2.9
79.05494	7.4
81.07053	17.4
83.04963	6.6
84.08126	4.1
85.02898	11.2
86.09715	3.8
91.05476	8.0
93.07053	19.0
95.04972	9.4
95.08610	7.9
97.02888	5.6
97.06523	11.8
99.04457	7.0
105.07016	11.4
107.04948	6.9
107.08590	5.6
109.02852	2.4
109.06495	13.2
109.10192	2.2
109.13973	2.1
111.08080	7.7
119.08570	9.3
120.08086	2.1
121.06493	37.2
121.10139	2.7
122.06022	2.2
123.04408	13.8
123.08086	2.8
123.11730	2.9
125.05988	8.3
127.03887	5.5
127.07536	5.7
128.57199	2.6
133.10127	7.5
133.64403	2.4
135.04483	2.8
135.08029	4.4
137.05995	5.1
139.07553	9.4
143.07054	5.4
143.08501	2.8
145.10133	4.8
147.04356	2.4
147.11697	18.7
153.32440	2.9
157.08585	9.1
157.10123	9.1
160.07484	2.6
161.13286	5.4
163.03914	3.1
165.12762	6.9
167.07097	3.7
169.12270	6.5
171.11702	9.9
175.11166	12.9
189.12785	9.4
193.12222	13.1
199.11130	15.9
207.13820	7.0
211.13200	16.4
215.80598	2.1
217.12202	38.0
229.14264	3.2
235.13278	54.1
253.14343	100.0
271.15421	23.7
289.16354	19.0
303.05133	3.0
457.12936	4.2
598.20404	9.8
630.34424	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.05505	1.0
58.06598	17.3
59.07374	6.1
60.08161	34.8
67.05494	2.3
69.07035	1.2
70.06580	2.2
70.71323	2.5
71.57162	0.7
77.50267	0.7
79.05482	1.8
81.07032	1.2
84.08138	2.8
91.05477	18.5
93.07043	3.4
95.04964	3.0
103.05462	19.2
104.06210	3.5
105.07030	12.1
106.06548	3.2
107.04945	2.6
110.06049	3.0
117.07007	2.2
118.06546	2.4
119.04948	2.5
119.07298	6.0
120.08099	100.0
121.16525	0.8
123.04429	2.0
124.07610	2.6
129.07027	1.6
130.06525	10.4
131.04922	30.5
132.08084	3.4
134.06024	1.3
134.09639	1.0
135.06818	1.7
136.07587	5.0
144.08104	1.1
145.10143	1.0
146.05977	4.7
147.04369	1.6
147.09119	1.0
148.07542	10.1
148.11194	5.7
157.10103	0.9
158.06059	1.6
160.07597	2.2
165.05473	2.0
172.07556	1.2
173.09659	3.5
175.08734	2.8
177.09084	11.7
182.08237	0.9
186.12852	1.5
188.07182	1.2
189.09079	4.5
190.12253	10.6
193.10118	1.2
200.10681	8.7
202.12250	10.2
203.08295	0.8
205.10205	1.3
207.14919	7.8
208.11156	1.0
214.12251	4.3
215.08310	0.7
216.10242	2.0
219.10196	6.3
219.15048	1.3
222.12819	7.3
228.10255	1.3
229.13406	0.9
231.10220	4.4
236.12810	1.5
242.11765	1.8
248.12817	4.5
274.10568	0.8
307.14365	1.6
342.70590	1.0
349.19116	2.0
367.20236	2.8
375.16690	1.1
383.19803	1.0
395.19736	2.5
413.08038	0.8
423.19354	1.9
514.27020	1.6
542.26550	2.5
570.25909	31.5
571.25653	1.2
601.33789	44.0
602.33856	1.9
629.33282	90.9
630.33032	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
55.01852	1.8
55.05509	8.1
57.07061	1.1
59.75313	1.2
65.03928	2.8
67.05500	14.1
69.03411	2.6
69.07053	5.4
70.29401	3.1
70.29787	2.0
71.04961	1.5
79.05480	8.1
81.03425	1.8
81.07060	18.9
83.04993	8.2
83.08631	2.0
85.02901	2.0
91.05491	11.0
92.85140	1.1
93.07041	8.8
94.06538	2.9
95.04969	5.2
95.08609	11.3
97.10203	2.0
103.05421	1.5
105.07056	9.5
107.04947	2.1
107.08571	5.4
108.08084	1.6
109.10149	5.2
110.06029	1.2
111.04433	3.0
115.05469	4.2
117.07013	4.5
119.04888	1.2
119.08580	8.3
121.10159	3.0
122.06036	9.9
123.04427	9.9
123.08050	1.7
123.11759	1.8
124.07633	1.4
128.06232	5.1
129.06996	4.9
131.04999	1.7
131.08551	7.3
133.06453	2.8
133.10152	3.4
135.11676	1.5
137.05989	1.9
140.07048	14.7
141.06978	17.5
141.07977	2.0
143.04924	1.5
143.08568	7.1
144.04457	2.7
145.06500	2.8
145.10146	5.7
146.05972	9.5
147.04440	7.9
147.08035	1.9
147.11703	3.0
149.05981	3.4
151.07568	1.7
153.07007	4.6
155.08533	2.2
157.06506	2.4
157.08829	1.3
157.10106	2.5
157.30905	1.3
159.08076	1.5
160.05199	4.2
161.06000	14.9
162.05499	2.3
163.03938	4.1
163.07562	2.0
165.07014	5.8
166.07756	2.7
167.08626	4.7
169.06480	8.4
169.10127	1.4
171.08072	6.8
172.03947	16.1
173.04601	2.4
173.05969	21.6
174.05414	2.9
175.03903	1.4
175.07547	2.8
178.07779	1.7
179.08562	4.0
181.06511	4.4
183.08043	3.3
186.03131	1.3
186.06752	1.4
187.04010	1.7
187.07544	11.6
187.14836	3.5
189.09105	16.1
191.08585	2.6
193.06525	3.0
193.10074	2.3
195.08040	7.4
197.05971	10.2
198.06635	1.9
198.09203	2.3
199.07532	6.5
201.09062	6.9
204.06548	30.0
205.15829	8.7
206.08182	10.9
207.08110	3.4
209.09596	3.4
210.06802	5.1
211.07498	17.4
212.08212	2.7
213.09143	4.5
215.07018	100.0
215.11790	5.1
219.08061	3.8
221.09598	3.1
223.07536	6.7
224.08286	4.2
225.08928	9.3
227.06973	2.0
227.10495	2.6
233.07724	6.9
235.07579	1.7
235.11110	1.9
236.08328	1.4
237.09077	7.3
238.09818	1.6
239.10654	13.3
241.08559	3.8
243.11299	17.9
247.07596	2.1
247.11172	2.6
248.08476	1.7
251.10655	6.3
253.08662	1.6
253.12102	5.8
255.10594	1.7
257.13010	1.5
261.09125	1.6
263.10861	2.1
264.07941	1.3
265.12289	4.4
267.10287	2.7
267.13791	3.2
269.12769	1.9
271.10690	1.3
275.10754	1.9
275.20041	4.4
277.12140	1.5
279.10226	2.5
279.13715	1.4
283.10785	1.5
285.12338	24.4
287.14069	1.3
289.12146	3.0
293.11807	3.8
295.13318	3.3
299.13730	3.7
305.05554	1.5
307.13290	2.1
313.11789	6.7
331.12830	4.5
331.16412	1.4
337.17957	19.8
343.12881	3.0
345.14502	10.5
345.28232	1.3
353.17215	1.2
355.19040	45.0
356.13977	2.5
356.19476	1.9
370.15674	2.4
373.21619	4.1
391.22717	20.0
398.14825	2.4
401.21127	9.7
402.79767	1.4
409.23724	51.3
410.24197	1.8
419.22174	35.1
432.19119	2.7
437.23215	44.5
437.29379	2.4
438.23599	2.2
455.24402	2.9
456.15833	2.1
457.16113	2.3
458.16956	10.5
489.18753	3.7
490.19595	1.7
597.23193	4.0
611.25323	2.7
629.31097	7.6
630.44263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25959	1.2
59.35290	1.2
63.51087	1.4
67.05501	2.0
69.07031	1.7
69.62286	1.1
69.86396	5.3
69.86817	2.0
79.05484	1.8
81.07036	1.5
91.05445	1.3
95.04958	2.2
105.07034	2.3
105.94405	1.3
108.08077	1.2
109.10119	1.4
122.06030	2.0
135.04379	1.5
140.07036	2.4
146.06035	1.6
163.03860	7.7
172.07500	1.4
184.80351	1.3
188.06694	1.2
201.05461	1.8
211.08710	2.5
221.10771	1.8
235.08684	2.8
237.10210	1.6
248.09467	1.6
249.10231	16.3
250.10947	2.7
251.11827	5.0
261.10275	1.5
263.08191	2.4
263.11813	2.7
269.12830	1.6
277.09756	7.0
279.11230	3.9
281.09164	2.2
291.11230	2.0
309.12405	4.9
310.13354	2.2
312.11621	1.7
313.12164	1.5
315.69714	1.6
323.10217	4.5
323.13974	7.4
324.14868	2.2
326.12827	2.7
327.13870	3.6
328.11118	1.3
328.14423	5.6
338.16385	2.9
339.11047	1.4
339.17184	4.8
340.10840	2.6
340.14447	2.9
340.18158	1.9
341.11597	7.3
341.15289	2.1
342.12347	6.1
342.16031	3.4
343.16827	1.3
350.13046	1.6
353.12079	1.4
354.12381	10.5
355.13046	8.4
356.13895	21.4
356.17941	2.1
364.14514	2.1
366.16098	4.5
367.16968	7.2
368.13962	6.9
369.14832	7.3
370.15488	12.8
371.15860	1.5
380.14133	7.2
382.11224	5.7
383.12506	2.2
384.12479	6.1
384.17603	9.9
396.13330	4.2
397.14288	1.7
398.14267	15.6
398.18796	8.6
399.19495	2.1
401.13766	14.4
402.14078	1.6
410.15070	2.8
411.15839	2.7
412.16556	6.3
414.14542	12.6
416.15814	6.4
417.16675	1.7
426.17957	1.9
428.16461	2.4
429.16803	5.9
430.17706	9.3
438.14371	9.3
440.15921	2.1
444.19244	16.8
445.19904	2.8
456.15582	10.5
457.16309	36.7
458.17090	27.8
472.18478	1.7
474.16495	5.1
488.18063	14.9
489.18924	100.0
490.19714	31.0
558.82202	1.8
579.22125	4.3
582.32202	1.5
597.23480	12.0
611.24823	6.0
629.25934	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
64.79450	1.7
65.03931	1.9
67.05499	10.5
69.03416	2.0
69.07060	3.6
71.58830	3.4
73.05986	1.6
79.05486	5.4
81.03378	1.9
81.07054	4.9
82.06618	2.2
83.08661	2.3
89.73813	1.8
90.48649	2.0
91.05460	3.3
93.07045	2.9
94.06564	3.8
95.04983	5.4
95.08630	4.4
97.06524	2.3
97.44083	1.6
99.04463	1.8
105.07014	4.8
107.04967	2.2
108.08141	2.3
109.10136	2.6
117.07008	2.0
119.08558	2.4
122.06060	2.5
124.07583	9.4
134.06070	2.9
136.07637	1.8
138.05513	15.2
146.06018	2.8
147.66121	1.7
149.05980	2.3
150.05554	1.8
151.03856	2.2
152.07094	3.4
158.59229	2.1
160.03920	4.2
161.02272	4.4
161.05968	2.6
163.03900	6.7
163.07599	2.1
167.07327	3.2
175.11206	2.0
178.05009	2.1
179.03389	10.3
181.04976	1.7
182.09703	3.0
183.09088	2.5
186.09183	2.9
190.04974	4.6
190.08698	2.9
197.10788	4.2
198.09174	1.9
199.12396	4.6
204.06581	2.2
209.10738	6.3
210.09137	5.1
210.11264	2.3
211.12140	1.7
212.09433	6.8
213.10124	2.9
223.08714	2.2
224.09123	1.9
225.10210	16.0
226.10968	2.8
227.11789	35.1
237.10291	7.2
238.10977	3.4
239.09460	21.6
239.11650	3.9
240.10271	3.2
243.11285	6.7
251.11827	2.8
253.09790	11.6
255.11275	4.8
259.10797	15.4
265.09744	13.4
266.08139	7.8
267.11279	5.2
269.10062	2.8
269.12848	20.7
271.10791	15.7
274.80884	1.7
275.81763	1.9
279.11017	2.2
282.11179	7.8
283.10742	23.5
285.12308	22.9
287.13885	79.4
293.09097	3.8
295.10568	2.2
297.12427	12.4
304.14282	2.2
311.10251	86.7
313.11835	6.2
315.13315	5.0
325.11661	9.0
326.10144	7.0
329.11362	14.8
330.12033	2.9
331.12958	2.5
332.17514	2.4
343.12900	61.7
344.13712	3.8
356.13870	2.8
383.26505	1.9
439.17603	2.3
460.18344	2.6
462.16449	2.9
467.17017	6.2
469.22662	2.2
481.18787	2.6
491.20554	2.7
496.20569	1.9
509.21890	1.9
511.23599	2.1
529.24426	5.6
537.21466	3.2
553.24426	7.0
555.22351	22.6
569.23608	4.0
579.22321	13.7
597.23444	100.0
598.23834	2.8
629.26038	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09741	1.4
52.71257	1.4
53.03933	2.1
65.03934	1.5
67.05491	9.5
67.05788	1.7
67.41751	1.7
69.03415	2.4
69.07052	2.5
69.07460	1.5
71.57738	2.6
75.36112	1.6
79.05477	5.0
81.03404	2.0
81.07047	4.9
85.02901	2.1
91.05463	3.0
93.07050	3.4
94.06550	1.6
95.04969	5.1
95.08598	2.5
97.02879	1.6
97.06531	1.8
100.75171	1.4
105.07027	4.7
106.06564	2.4
107.08552	3.4
108.08160	1.7
109.10170	1.7
110.06007	1.8
115.05488	1.8
121.06459	2.2
121.10096	1.6
122.06008	2.5
124.07602	8.5
124.96410	1.4
129.06941	1.8
132.04460	3.4
134.06010	4.7
136.07503	2.0
138.05515	16.9
143.75352	1.4
146.06009	3.1
148.07556	2.8
152.07077	3.8
160.03944	2.8
162.05363	1.7
163.03909	9.3
163.07545	10.6
164.68623	1.4
167.07249	3.0
172.03981	3.8
172.07593	3.1
178.04994	3.1
181.04945	3.7
181.08633	5.5
182.09676	4.2
183.09137	2.1
184.10020	2.4
186.09169	2.9
190.05009	6.5
190.08655	3.8
196.09920	2.5
197.10718	4.7
199.08543	2.0
199.12291	4.7
204.06537	3.7
209.10683	7.2
210.09157	5.9
210.11215	1.6
211.08653	3.5
211.12230	1.9
212.09435	3.6
213.10262	2.1
224.09273	2.1
225.10228	15.5
226.11086	2.3
227.11775	38.3
237.10291	8.4
238.08740	3.1
238.10886	2.9
239.09453	26.0
239.11809	4.1
240.10117	2.7
241.09721	4.0
243.11293	7.3
250.07233	2.4
251.08308	2.0
251.11736	1.8
252.08929	3.5
253.09695	13.7
255.11215	5.3
259.10770	15.5
265.05902	2.1
265.09656	11.3
266.08127	8.5
267.11316	3.2
268.08469	1.6
269.12888	19.4
271.10815	21.6
281.09286	3.8
282.11169	6.2
283.10797	19.9
285.09448	2.8
285.12329	27.6
287.13892	77.5
293.09085	3.3
297.12332	18.2
300.11096	1.9
301.12042	2.7
311.10242	90.5
313.11786	6.9
314.12857	2.3
315.13516	4.9
316.14514	1.8
321.12402	2.4
325.11832	10.1
326.10217	5.9
329.11374	12.2
330.12238	2.5
331.13129	1.7
342.12234	3.4
343.12878	63.5
344.13751	2.1
356.14236	1.8
372.17050	1.9
400.16772	2.2
417.16800	2.0
449.15585	2.1
458.17191	2.0
462.16415	2.0
463.16153	1.9
467.16714	4.8
497.18372	2.1
509.21597	2.0
529.24188	5.2
537.21307	4.3
538.21600	1.8
553.24036	5.3
555.22400	23.1
556.18781	2.5
579.22278	11.4
597.23413	100.0
598.23358	3.4
629.21295	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.8
55.05502	2.9
57.95958	1.7
65.03923	2.4
67.05499	10.4
69.03423	3.9
69.07051	4.8
71.38252	2.9
77.84493	1.5
79.05473	4.4
81.03410	4.3
81.07051	8.0
83.04980	2.4
83.56685	1.5
85.02895	2.0
91.05463	5.2
93.07043	6.3
94.06543	2.6
95.04959	5.1
95.08579	5.3
100.98063	1.7
105.07006	5.0
106.06561	2.7
107.04935	4.1
107.08554	2.0
107.75561	1.8
109.10121	4.5
111.04415	2.0
115.05461	2.4
119.08561	3.1
120.04428	1.7
121.10126	3.3
122.06007	3.8
122.31903	1.4
122.48580	1.5
123.04393	3.5
123.08118	2.2
124.07600	8.3
129.06998	3.2
131.08522	2.1
132.04382	2.9
133.10052	2.7
134.05975	4.4
135.04425	1.5
135.08107	1.5
136.07477	1.9
138.05489	19.1
143.08549	2.2
145.10062	2.3
146.06007	4.1
147.04337	1.6
147.11684	1.8
148.07535	3.6
149.06026	2.9
151.07469	2.8
152.07018	2.1
160.03915	4.7
163.03903	7.4
163.07498	3.0
165.07013	1.8
168.08009	2.4
169.06389	2.1
172.03902	2.1
172.07634	1.9
173.05995	2.2
174.05450	2.5
174.09148	1.8
175.07387	1.9
181.04900	1.8
182.09705	3.7
183.09140	2.6
184.09985	1.8
189.09087	4.5
190.04982	5.0
190.08588	4.9
191.28493	1.7
196.07611	1.6
196.09929	3.0
197.10730	6.3
199.12332	6.1
204.06511	4.3
206.08060	2.3
209.10735	7.9
210.09178	6.6
210.11336	2.9
211.08763	2.6
211.12453	1.7
212.09262	3.6
213.10243	3.6
214.08650	2.2
215.06996	6.9
223.08662	1.9
225.10255	18.3
226.11075	3.1
227.11795	40.2
237.10364	8.1
238.08742	3.0
239.09383	27.4
239.11635	4.0
240.10310	2.2
241.09698	2.9
241.13347	2.5
243.11476	9.5
249.10262	1.9
250.07230	2.4
251.08134	3.4
251.11894	2.5
252.08766	3.5
253.09738	13.2
254.08162	2.3
255.11285	6.4
259.10776	17.2
265.09662	12.5
266.08148	9.2
266.10547	2.0
267.11124	5.1
269.12839	22.4
271.10782	21.8
275.05893	2.4
279.11298	2.0
281.09335	3.3
282.11362	10.6
283.10809	24.8
285.12314	24.7
286.12967	2.0
287.13889	87.5
295.10922	3.9
297.12320	18.0
311.10257	94.7
312.10751	1.9
313.11703	7.8
315.13400	5.7
325.11865	11.2
326.10291	7.2
329.11343	13.0
330.12326	2.5
330.15826	2.2
343.12894	68.0
356.13904	2.1
358.15405	2.0
386.14908	1.8
391.22601	3.3
392.19669	2.0
400.16492	2.8
409.23834	9.6
416.16428	1.7
419.22235	6.4
429.09808	2.0
437.23203	6.9
460.19122	2.3
462.16190	2.4
467.16879	9.8
479.21194	1.7
495.20303	2.1
506.19135	5.5
507.19403	2.1
508.20770	3.5
509.21579	3.1
527.22736	1.7
529.24188	8.0
553.24268	11.5
555.22430	29.1
579.22626	15.1
597.23413	100.0
598.23932	3.0
608.67999	1.9
611.24524	1.9
629.31927	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2238
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.80016	1.2
54.56204	1.2
67.05497	3.1
70.19369	4.2
79.05477	2.3
81.07048	3.6
83.31815	1.6
85.51681	1.3
91.05473	8.8
93.07060	4.4
95.04953	1.4
95.08598	2.2
96.18604	1.5
105.06995	2.6
107.08609	2.8
108.72878	1.4
117.07059	1.7
119.04922	6.8
119.08578	2.3
121.06470	1.6
121.10131	2.2
123.04449	2.1
123.08081	1.3
131.08510	1.8
133.10091	1.4
149.05998	19.5
151.07501	6.4
159.11560	1.5
171.11609	1.6
173.09581	1.7
175.07545	7.0
177.09149	2.2
205.12241	12.2
231.13843	4.5
285.11185	2.9
371.09702	1.4
396.11823	1.8
397.13104	2.6
398.13422	1.6
399.14380	2.5
410.13693	1.9
411.14490	5.6
412.15308	5.5
413.16040	3.3
422.13757	1.8
423.14771	3.2
424.15546	2.3
425.16257	15.3
426.16934	8.5
427.17606	3.1
428.18402	3.5
438.13092	4.5
439.13684	22.4
440.18527	5.4
441.19284	39.9
442.19638	1.8
450.01138	1.4
452.14572	3.2
453.15369	25.1
453.21002	1.7
454.16241	5.2
467.17139	22.9
468.17935	22.4
469.18546	9.7
481.14520	9.0
482.15326	3.0
484.21436	2.6
485.18076	2.9
486.19003	1.7
493.33560	3.4
495.16583	4.0
496.16925	17.4
497.17618	3.0
498.18338	1.6
500.20584	4.0
513.21149	5.0
541.20831	54.9
569.20258	100.0
570.20367	7.7
573.23419	2.6
573.31970	2.8
597.19818	29.1
600.21814	1.7
601.23004	15.4
629.22229	72.3
629.38910	3.7
630.22290	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01872	1.1
55.05507	4.1
56.05033	2.4
57.02772	0.4
57.03434	1.4
58.06583	1.6
59.57187	0.4
61.02919	0.5
62.06078	0.6
62.97374	0.4
65.03940	0.7
67.05505	11.0
69.03427	3.2
69.07060	3.8
70.06590	8.8
70.33813	1.7
71.04990	1.1
72.08147	2.4
73.02897	1.3
74.06080	3.2
79.05495	5.7
81.03420	4.8
81.07053	13.1
82.06588	1.1
82.07387	0.6
83.04970	1.6
83.08613	1.7
84.08131	5.2
85.02905	5.5
85.06541	1.2
86.09717	0.5
87.04477	0.6
89.06048	0.7
89.81342	0.4
91.03978	0.4
91.05477	4.1
93.07037	6.4
94.06551	0.8
95.04967	1.8
95.08607	9.3
96.02097	0.4
96.08131	4.1
97.02895	2.2
97.06518	1.0
97.08926	0.9
98.09694	4.1
105.07013	3.5
106.07354	0.6
107.04945	0.6
107.08598	3.6
108.08131	1.9
109.02869	2.0
109.06510	0.9
109.10147	3.1
110.09687	2.2
111.04444	0.8
112.07635	0.5
117.06965	0.9
119.08567	2.9
121.02809	1.0
121.10128	2.8
122.09657	0.6
123.04440	0.7
123.11720	1.1
124.07632	0.5
124.11217	1.2
124.12041	0.5
124.73772	0.4
125.09579	0.5
127.03918	2.2
131.08603	1.2
133.10130	1.9
135.11710	1.3
137.02336	18.0
137.05972	1.2
145.04956	0.5
145.10147	0.9
147.11655	2.5
148.12053	1.3
149.13185	0.6
153.01840	0.6
154.04953	0.6
155.03352	0.5
159.11707	0.8
163.03946	0.8
163.07605	0.5
163.11200	0.4
165.12772	1.0
166.11035	0.4
166.16019	0.7
167.07063	1.1
175.07593	0.5
175.11130	0.5
177.12605	0.6
179.03427	1.8
181.04979	0.9
187.07483	0.5
193.41460	0.5
208.17053	0.4
208.20546	0.4
220.20624	0.5
222.22159	0.6
223.08643	0.5
234.22272	0.7
248.23784	3.4
250.25290	8.6
252.23209	13.3
255.06618	0.5
267.15921	1.0
268.16367	1.7
268.26352	1.8
270.24344	2.6
274.21613	0.9
276.20187	1.0
276.23218	20.0
285.16891	2.6
286.17303	3.7
287.05533	1.5
292.22800	1.1
294.24286	11.5
299.05725	0.5
312.25363	3.1
330.26520	0.9
336.25391	1.5
351.21097	0.4
354.26523	1.3
366.26419	1.0
379.38153	0.4
383.80621	0.4
384.27414	1.2
396.27573	0.7
412.24734	0.7
414.28760	0.8
420.27530	1.5
438.28464	8.1
456.29584	7.5
472.29657	0.5
474.30508	7.1
490.30237	0.5
539.48206	0.5
574.30432	1.1
584.33636	0.7
592.31281	1.1
610.32257	12.5
628.33246	100.0
629.33582	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01860	1.0
55.05515	3.8
56.05021	2.1
57.03426	1.6
58.06594	1.5
62.06074	0.9
65.03929	1.2
67.05508	11.3
69.03429	3.6
69.07066	4.2
70.06588	8.7
71.04989	1.8
71.58531	1.0
71.58910	0.7
72.08149	2.3
73.02914	1.0
74.06072	2.2
74.64313	0.6
78.32894	0.6
79.05487	6.8
81.03423	5.9
81.07051	13.0
82.06579	1.5
83.04989	1.3
83.08615	2.6
84.08134	5.7
85.02909	4.5
85.06529	1.2
86.09710	0.9
87.04449	0.6
88.34550	0.6
89.06049	1.5
91.03955	0.7
91.05486	3.9
92.50779	0.6
93.07042	7.3
94.06558	1.0
95.04973	2.2
95.08597	10.0
96.08133	4.6
97.02884	1.8
97.06551	1.1
97.08912	1.5
97.10178	1.1
98.09698	4.1
99.04440	0.9
105.07037	3.0
107.08587	5.0
108.08120	1.8
109.02872	3.0
109.06459	1.1
109.10162	4.2
110.09685	2.4
117.07020	1.3
119.08576	3.3
120.08113	0.7
121.02856	0.7
121.06530	1.4
121.10163	2.9
122.09688	0.8
123.08102	0.9
123.11745	1.6
124.11211	1.1
125.09649	0.9
125.47938	0.7
127.03932	2.6
127.07685	0.7
131.04912	0.7
131.08583	2.0
132.21559	0.8
133.08665	0.7
133.10075	3.1
135.11687	2.2
136.07574	1.3
137.02338	17.9
137.05983	0.8
145.10144	1.1
147.11656	3.1
148.12039	0.7
149.13214	0.9
154.04979	0.7
163.03918	0.9
164.07191	0.7
165.05530	0.7
165.12718	1.2
167.07051	1.9
168.07385	0.6
179.03429	1.4
180.45296	0.7
181.05017	1.1
191.07115	0.7
232.09766	0.8
234.22110	1.4
242.10161	0.6
248.23718	3.9
250.25302	7.7
252.23245	13.4
258.22321	1.1
266.24738	0.8
267.15967	1.0
269.17493	1.0
270.24356	2.8
274.21649	1.6
276.23212	20.6
285.17056	2.8
286.17172	3.4
287.05563	1.2
292.22705	1.6
294.24252	11.4
312.25381	3.1
336.25204	1.3
351.04178	0.7
366.26239	1.1
371.63773	0.8
384.27396	1.0
420.27628	2.3
438.28461	9.5
456.29593	9.6
474.30554	8.2
475.16904	0.7
574.30133	1.4
592.30884	1.6
596.22137	1.2
596.37457	0.7
610.32214	11.8
628.33228	100.0
629.33838	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
56.05032	1.0
62.06091	0.7
66.40095	0.6
66.66374	0.7
67.05537	0.7
68.99770	1.0
69.03421	4.2
70.06586	1.7
70.74770	1.2
70.75104	1.3
71.04980	0.8
79.05478	0.9
81.03421	3.7
81.07042	1.0
84.04491	1.3
84.08139	0.7
85.02908	12.6
91.05468	1.2
95.04948	1.0
97.02893	3.6
107.04942	1.6
109.02834	1.3
121.02839	1.4
121.68884	0.8
123.04458	1.3
127.03941	5.7
131.04883	3.6
137.02342	15.4
145.04984	2.0
147.04384	4.5
147.81259	0.7
149.02289	0.7
153.01871	0.9
160.05188	3.9
167.08542	1.4
178.06287	1.0
181.05045	1.0
191.40312	0.8
195.08043	3.3
198.06796	1.2
199.07471	1.9
213.05542	1.5
213.09117	2.2
223.07526	3.1
226.06238	0.9
229.05011	1.1
241.08600	15.4
243.06479	1.2
251.07018	3.1
254.05795	0.8
259.09808	1.1
269.08084	44.2
287.09137	100.0
288.09448	2.0
303.04984	16.1
304.05347	18.8
304.08655	0.6
304.12247	0.9
307.39786	0.7
311.09091	1.4
325.14346	0.7
329.10043	0.7
340.93463	0.8
353.10153	0.9
363.41019	0.7
431.13675	3.6
449.14362	7.0
466.10947	0.8
640.73413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92314	0.9
55.01861	1.1
55.05505	4.0
59.04960	0.9
67.05178	1.1
67.05511	14.8
69.07075	5.1
71.59090	1.2
79.05494	8.1
81.07062	10.2
83.08618	1.7
85.41743	0.9
91.05464	6.9
91.05911	0.8
93.07050	8.1
95.04985	1.0
95.08612	6.7
97.06538	1.9
97.10146	2.4
105.07035	6.8
107.08625	5.7
109.10162	4.9
117.06983	1.8
119.08599	5.0
121.10176	4.1
123.11687	1.8
129.07024	1.9
131.08537	4.3
133.10150	4.6
135.11678	2.5
143.08549	1.0
145.10136	3.0
147.11604	1.2
149.09602	1.8
149.13248	1.6
157.10168	1.3
159.11691	2.4
173.13261	1.6
187.14722	1.0
192.25714	0.9
211.15010	0.9
211.83284	0.9
219.17548	0.9
257.19086	1.2
261.22165	1.1
275.20041	4.6
293.21176	1.0
335.25833	5.4
349.23450	1.4
534.58813	1.1
539.70636	0.9
609.45160	3.8
627.42224	100.0
628.42798	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.96301	1.0
56.96571	16.5
67.05498	1.0
69.27409	0.5
69.27748	5.6
71.95256	2.4
72.96033	0.7
74.97604	1.3
79.05486	1.1
81.07066	0.8
84.96015	1.8
91.05474	1.2
92.98654	0.8
93.07043	0.8
95.08611	0.9
97.96819	1.0
98.97577	0.7
105.07036	0.9
107.08604	0.7
110.97582	2.2
115.97812	0.7
116.98611	0.9
119.08588	1.3
121.10164	0.5
128.98622	6.2
131.08437	0.5
133.10132	0.7
133.98894	0.9
134.99625	0.5
135.11754	0.6
141.02203	1.0
143.00143	0.5
146.99651	10.3
147.11626	0.5
155.03816	0.9
160.77716	0.5
161.01202	1.4
161.04977	0.8
165.00693	2.2
165.02023	0.5
169.05431	0.9
170.01350	0.6
171.03168	0.7
173.13261	0.5
175.02789	0.8
185.05023	0.6
188.59137	0.5
189.04399	1.7
190.05078	0.6
203.05913	1.8
209.04897	0.6
217.07552	0.7
217.30963	0.5
223.08420	0.6
224.61572	0.5
225.07948	0.7
227.09473	0.5
233.12129	0.5
238.08757	0.6
241.11130	1.2
243.09024	0.7
245.10609	1.0
259.12131	1.9
259.20416	0.8
263.09485	2.7
265.11221	0.6
281.10547	0.5
282.11359	0.6
303.12714	1.9
315.16296	35.4
317.14462	0.7
321.14014	0.7
330.28003	0.5
331.15738	2.7
333.17371	100.0
334.17731	1.4
351.18393	29.8
356.18982	9.6
374.19983	3.7
379.28940	0.5
394.38315	0.5
485.53000	0.5
494.19696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05481	1.7
56.96296	1.6
56.96557	3.4
67.05508	3.5
67.33584	1.3
71.58087	2.3
81.07053	2.4
91.05444	1.5
93.07083	1.8
93.55296	1.4
95.08624	1.8
98.20898	1.2
105.07095	1.4
105.65826	1.5
123.09782	1.4
131.07271	2.0
136.07544	2.3
165.00746	1.4
172.07626	1.6
174.09222	3.1
187.08784	1.5
187.12271	7.0
188.10791	1.9
195.43761	1.4
211.08717	2.9
215.11815	4.5
223.08716	1.8
225.10298	5.3
227.11792	4.0
235.08786	2.4
239.11873	3.6
241.09462	1.7
241.13408	4.9
243.11288	34.3
249.10298	3.0
251.11772	2.5
253.09827	4.7
267.11307	9.4
269.12915	4.3
277.09741	1.8
279.11383	2.3
285.12268	2.9
293.12851	2.2
295.10922	3.5
300.11520	2.3
301.15561	5.1
309.12314	1.7
314.13071	1.9
315.16388	9.6
316.10983	2.0
316.14658	2.5
325.15390	13.4
327.13382	7.2
328.11044	1.7
328.14667	1.7
329.11581	2.9
330.12390	4.6
330.16193	2.4
333.17340	26.4
342.12488	4.6
343.13370	3.6
344.14029	4.4
345.14700	2.1
346.15503	2.5
348.13614	4.0
351.14175	1.6
351.18341	7.9
356.13980	4.8
356.18594	3.5
357.14694	2.4
358.15515	4.4
370.15445	3.3
372.17224	3.6
386.14825	2.4
386.19147	2.7
398.14978	1.6
400.16684	3.2
418.17709	3.8
430.17487	3.3
432.19125	5.3
435.13892	1.9
437.20236	2.5
447.22394	2.2
450.16632	2.3
451.17175	3.2
460.18457	1.9
462.24207	3.4
463.21783	3.0
465.18866	16.4
477.19135	2.7
479.20480	8.0
480.21445	3.3
481.22458	4.6
489.22406	2.6
490.19977	2.0
492.21768	3.1
493.22235	4.0
495.16653	5.4
504.21512	4.6
505.19366	1.7
506.23120	2.0
507.23682	7.8
508.21219	1.8
517.22424	2.6
535.23236	7.0
549.24976	16.2
553.24500	3.5
567.18567	9.5
567.26111	84.0
577.24060	3.0
585.19855	2.7
595.25409	57.5
627.28113	100.0
628.20996	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
57.58104	0.5
69.57726	2.0
69.58150	1.6
70.07480	0.5
70.24175	0.5
72.40313	0.6
79.05499	1.2
81.07069	0.9
91.05482	1.2
93.07014	1.0
98.21421	1.0
105.07056	0.5
105.17053	0.5
114.97653	0.5
117.06979	0.6
147.27480	0.6
150.50317	0.6
193.76196	0.5
247.32526	0.5
315.18109	0.6
328.14532	0.6
363.16388	0.6
377.17517	0.7
378.18637	0.5
379.19275	1.5
390.18274	0.7
391.19327	1.3
392.20020	1.0
393.20804	2.2
405.16739	2.7
406.17847	2.0
407.17920	0.8
407.23041	2.5
408.23199	1.1
418.17703	0.7
419.18375	3.2
420.19504	2.1
421.20218	5.0
422.21115	0.9
423.21936	1.2
433.20358	3.7
434.21362	4.1
435.21973	5.8
436.22632	1.1
447.22678	0.6
449.19583	7.9
462.20685	0.7
463.20947	2.8
464.21973	1.2
467.24646	1.0
479.20761	1.7
481.22437	2.4
493.22174	1.8
494.23026	3.2
495.23895	3.6
507.24072	10.3
509.25296	1.1
521.21643	0.6
525.25146	0.6
535.23132	0.7
539.23096	2.2
549.24707	0.9
553.24255	0.8
567.26184	15.7
568.26874	1.2
609.27740	0.7
627.28119	100.0
628.28577	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59688	1.0
55.05498	2.1
67.05498	4.2
69.07059	2.6
70.06588	2.0
71.04974	1.2
71.58768	1.9
79.05459	2.5
81.07048	3.6
83.04990	2.4
85.02937	2.2
86.09716	1.3
91.05480	3.9
93.07043	3.8
95.04945	2.4
95.08598	3.1
97.10192	2.1
99.17880	1.2
105.07000	3.1
107.04969	2.9
107.08559	1.9
109.10162	1.5
119.08598	2.2
121.10140	2.1
123.04433	2.1
125.09641	1.7
127.03867	1.8
128.06233	6.8
134.72346	1.2
135.11717	1.7
137.09622	1.4
139.08659	1.3
141.07019	1.4
143.08582	12.8
145.06418	1.4
149.05966	1.3
163.03900	4.0
167.07010	2.8
171.08058	22.5
173.05988	2.9
173.09657	1.6
185.09598	3.9
186.62978	1.3
192.90764	1.1
203.10661	19.5
209.06367	1.4
225.08778	1.5
227.10394	3.1
239.07257	1.3
239.14244	1.2
243.04756	5.0
243.09909	7.8
245.06319	2.3
255.11418	1.9
268.12009	1.7
287.03668	17.8
289.05328	5.1
303.04984	3.8
303.10794	1.7
361.14081	3.7
363.15802	4.1
379.14679	3.7
405.14432	3.9
435.21698	1.9
447.15720	20.2
491.15201	17.6
528.41449	1.3
541.19830	2.2
583.21521	27.1
583.30450	2.7
609.23547	1.5
627.20361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39694	0.3
55.01865	0.6
57.03434	0.5
61.02918	0.4
68.99786	0.4
69.03427	1.6
70.82823	0.6
79.05443	0.3
81.03400	1.0
81.05898	0.3
85.02904	5.0
87.04455	0.3
91.03943	0.3
94.06969	0.3
95.04943	0.4
97.02905	1.6
99.04452	0.3
102.01043	0.3
107.04982	0.4
109.02883	0.5
111.00733	0.4
121.02879	2.1
127.03920	1.4
137.02367	1.0
142.46512	0.3
145.04933	1.0
145.06520	0.3
147.04346	0.3
153.01846	1.5
165.01834	0.3
169.01332	2.6
173.05954	0.3
181.01337	0.8
183.04419	0.5
187.03856	0.3
201.05495	0.8
229.04977	1.1
247.06017	0.3
257.04504	1.3
259.09296	0.3
274.04666	0.5
275.05518	0.6
285.03998	1.3
285.07294	0.4
287.05499	1.2
287.08820	0.4
303.04993	100.0
304.05331	0.9
316.37555	0.3
352.74448	0.3
385.04257	0.3
465.10272	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08858	0.3
57.03421	0.4
61.02943	0.8
68.99794	0.5
69.03419	2.5
69.82518	0.9
69.82949	1.2
73.02904	0.4
81.03409	1.5
85.02897	5.8
97.02886	2.3
109.02854	1.1
111.00820	1.1
120.54895	0.3
121.02852	0.9
127.03893	1.3
137.02312	3.0
145.04926	0.6
149.02367	0.4
153.01805	4.2
161.05885	0.4
163.03902	0.9
165.01782	2.0
183.02881	1.0
194.70659	0.3
201.05426	1.7
219.78867	0.3
229.04956	3.9
247.05933	0.6
257.04398	2.7
274.04666	1.1
285.03912	1.5
303.04968	100.0
304.05310	1.2
465.10300	5.2
579.66272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03435	0.9
61.02920	1.7
65.21151	0.6
67.97636	0.5
68.99793	0.8
69.03431	3.6
69.49861	5.1
69.50180	1.4
81.03410	1.9
85.02901	13.6
97.02891	3.4
98.20838	1.4
102.07372	0.6
109.02879	1.3
111.00844	0.7
121.02832	1.0
127.03909	2.6
137.02362	4.5
145.04939	2.6
153.01808	3.5
165.01865	1.3
173.06093	0.9
177.97282	0.6
183.02856	0.9
201.05547	1.9
229.05022	4.4
234.06767	0.6
247.06061	1.0
257.04459	2.7
274.04761	1.0
285.03891	1.0
303.04987	100.0
304.05347	1.7
305.62241	0.6
345.06229	2.9
465.10373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
58.52527	1.7
67.05505	4.0
71.59028	2.5
79.05487	5.7
81.07063	4.6
91.05470	3.6
93.07055	4.1
95.04937	2.2
95.08620	4.5
102.68584	1.7
104.10722	1.7
105.07006	3.3
107.08577	3.2
109.10139	2.0
119.08587	2.6
121.10300	2.0
127.84109	1.6
131.08569	1.6
133.06444	1.6
151.77945	1.6
315.19299	3.7
317.20718	1.9
333.20383	38.5
546.83862	1.6
566.90607	2.0
607.39435	18.4
612.33191	2.1
625.25824	4.2
625.40668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23751	1.8
69.29756	21.4
76.92425	1.9
81.07063	3.9
93.07035	2.6
95.08580	2.9
96.12807	2.2
113.84184	1.9
121.77838	1.9
194.58710	2.1
205.48782	2.2
333.20413	6.8
402.30423	2.3
625.30054	6.1
625.40637	100.0
626.41248	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.2
57.03431	1.1
67.05498	5.5
69.07059	2.8
69.29733	4.0
69.30161	5.3
70.64677	0.9
79.05498	4.4
81.07063	4.1
91.05475	3.4
93.07053	4.3
95.08601	3.8
97.10172	1.3
105.03408	1.0
105.07030	3.1
107.08591	2.6
109.06445	1.9
109.10189	1.8
111.08115	1.0
117.07038	1.5
119.08564	2.9
121.10105	2.0
131.08543	2.4
133.06528	1.1
133.10071	1.2
143.08557	1.0
145.10117	1.5
147.08025	1.8
171.11722	1.6
173.13284	1.1
199.14749	1.3
226.43121	0.8
273.18381	2.0
315.19315	2.5
333.20279	6.9
487.30219	1.0
607.39618	10.2
625.40643	100.0
626.41302	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67042	0.6
55.05498	1.7
56.23552	0.8
63.91041	0.7
67.05497	3.2
69.07057	1.1
71.03920	1.6
79.05486	3.8
81.03428	0.7
81.07042	2.6
83.08598	1.2
91.05470	3.0
93.07030	2.9
95.08585	2.2
99.01883	0.7
105.07018	2.1
107.08597	5.0
119.08536	1.7
121.10099	0.8
131.08548	0.9
133.10176	0.9
156.19560	0.8
171.30840	0.7
189.11220	0.9
199.11516	0.7
315.19287	29.7
333.20352	100.0
334.20685	2.5
345.45148	0.9
356.20596	0.9
392.19583	0.8
415.18137	0.8
449.18643	1.1
462.19855	0.8
473.22830	1.4
487.19928	1.1
488.20920	0.8
501.21875	2.1
508.19995	0.8
519.22900	1.8
527.37317	1.1
531.22131	1.2
546.22229	1.1
547.22607	7.4
565.23651	1.8
575.21869	3.0
589.38611	17.8
607.24677	19.0
607.39539	42.4
608.25104	1.1
608.39807	1.6
625.25525	17.4
625.40582	31.4
626.25427	1.2
626.41241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01869	0.7
55.05501	1.0
57.03407	0.7
67.05485	2.1
69.07056	2.0
69.26257	6.1
71.05006	0.6
78.16038	0.5
79.05493	4.0
81.03405	1.1
81.07064	3.1
91.05471	4.6
93.07034	2.2
95.04952	2.0
95.08600	0.9
97.02893	0.8
97.06507	1.8
103.05447	4.6
105.07020	11.8
107.04944	1.4
107.08568	1.9
108.08115	0.6
109.06511	1.9
115.05466	0.8
115.07532	0.9
117.07009	1.2
119.08555	1.6
121.06504	0.7
121.10175	0.6
123.04407	4.7
123.08082	1.8
129.06981	0.5
131.04898	1.1
131.08592	0.6
133.06485	2.4
133.10136	0.8
135.04422	0.9
135.08043	1.4
135.11713	0.8
137.02315	0.6
137.05943	1.8
145.06461	0.7
147.04439	0.9
148.05179	0.6
149.01181	1.0
149.05963	5.5
151.07562	5.2
153.29303	0.5
161.05948	3.5
163.07529	100.0
164.07851	1.2
165.09114	5.6
173.05997	1.0
174.06714	0.7
175.07500	1.6
177.09108	1.8
181.08580	26.0
182.11160	0.6
183.67410	0.6
187.07573	1.6
189.09097	9.6
201.09062	1.5
205.12160	1.0
207.10085	1.4
213.09102	1.1
215.10648	0.9
227.10576	1.0
239.10658	0.7
244.09595	0.6
252.09413	1.1
276.68027	0.6
291.19568	1.5
293.13248	1.7
297.11142	1.1
299.12781	5.8
357.20465	0.9
385.86746	0.6
457.26099	0.6
468.04507	0.6
479.24445	0.8
493.25482	2.2
504.89178	0.5
581.28174	0.6
607.32367	2.3
625.33899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33394	0.3
52.64177	0.3
53.03918	0.4
55.01857	0.5
56.87446	0.3
57.03417	0.7
59.15559	0.3
61.02905	1.0
65.03954	0.4
69.03428	4.3
70.06573	0.5
71.04990	0.6
73.02910	0.6
79.05495	1.8
79.69498	0.2
81.03417	1.5
84.08143	0.4
85.02427	0.4
85.02901	6.0
85.73778	0.2
86.09679	0.3
89.03929	0.5
90.91154	0.3
91.05470	0.8
95.04948	0.9
97.02880	1.9
105.07008	0.4
107.04953	1.4
109.02869	1.0
109.79682	0.2
119.04940	1.3
120.66325	0.3
127.03896	1.4
132.30385	0.3
133.10117	0.3
135.04405	0.6
145.02821	0.9
145.04955	0.7
147.04407	6.7
151.03909	2.4
153.57593	0.3
163.03889	100.0
164.04214	0.9
181.04944	35.7
241.08401	0.4
260.80075	0.3
265.08582	0.4
268.07306	1.3
271.06027	0.3
283.09634	32.0
284.09851	0.4
299.05402	0.3
301.10681	65.8
302.11035	0.9
317.02783	0.3
445.15302	0.3
463.15939	8.0
625.35663	0.9
643.01263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82877	0.5
55.01866	1.2
65.03936	1.4
66.79563	0.5
67.01871	3.0
67.05492	1.8
69.33678	4.5
75.19738	0.5
79.05494	2.0
81.03410	0.7
81.07043	1.4
85.02917	0.6
88.66210	0.5
91.05483	7.7
93.03394	0.7
93.07029	1.8
95.01347	1.3
95.04962	1.5
95.08617	1.0
97.28893	0.5
105.07008	2.3
107.04939	1.9
107.08594	1.2
109.06489	0.6
115.05434	0.6
117.07011	2.0
119.04966	1.0
119.08582	7.3
120.49615	0.5
121.02869	1.0
121.06508	1.5
123.04427	2.0
127.03905	0.7
129.06975	1.8
131.01291	0.6
131.04941	0.7
131.08586	0.6
132.05701	2.3
135.04407	0.9
137.02354	2.0
141.06993	0.7
143.08585	0.6
147.04419	0.6
147.08049	5.9
149.02310	4.6
151.03911	43.1
152.06253	0.7
155.08519	0.6
160.05159	3.3
161.02315	1.7
161.05914	1.3
163.03925	2.9
163.07549	1.3
165.05437	1.5
165.06963	0.9
167.03410	20.8
169.06464	0.7
171.04393	1.4
175.07553	9.9
181.04927	1.2
183.08093	0.6
188.04701	1.5
189.01820	1.3
189.05438	0.9
192.04179	25.7
193.08537	0.6
197.06076	0.7
203.07039	100.0
204.07249	0.7
209.05963	0.5
211.07544	2.4
213.05452	2.8
217.08606	1.9
229.08705	3.8
239.07005	2.1
243.10223	1.5
267.06525	70.1
269.08157	1.7
273.03979	0.7
285.04639	0.8
285.07513	4.7
287.09195	3.3
293.04480	0.8
303.06723	0.6
320.13904	0.6
325.03339	1.0
325.10727	0.6
339.12216	0.9
351.08411	3.1
359.09116	0.7
363.08551	1.0
365.09988	1.3
369.09872	1.1
377.10129	0.7
389.06583	1.0
431.07559	5.9
458.09869	1.5
469.12839	9.5
471.14502	2.1
473.12335	2.1
487.13708	2.9
489.15518	3.3
501.11627	1.3
507.16531	4.0
607.15070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99125	0.5
53.03939	2.0
55.01860	0.8
55.05505	4.5
56.05024	1.2
57.03426	4.0
58.06591	1.7
58.99587	0.8
61.02922	3.8
63.40191	0.5
65.03941	0.4
67.05507	5.6
69.03427	15.7
69.07060	4.4
70.06588	12.8
71.01347	1.0
71.04977	2.4
71.57520	0.8
72.08134	0.8
73.02923	2.6
75.51361	0.5
76.02225	4.7
79.05492	3.5
81.03405	6.8
81.07047	7.6
82.06583	0.7
83.08616	2.1
83.26279	0.5
84.04500	1.4
84.08150	1.4
85.02901	29.2
86.09703	1.7
87.04459	3.7
91.03947	0.9
91.05470	2.4
93.07029	2.7
95.04993	1.0
95.08604	5.5
96.08136	2.2
97.02889	10.3
97.10143	0.8
98.09700	2.1
98.70739	0.5
99.04458	3.0
101.02396	0.9
103.03931	1.4
103.05478	1.0
105.07021	2.4
106.07362	0.5
107.04972	1.0
107.08593	1.8
109.02867	4.1
109.06509	1.1
109.10159	2.8
110.09703	1.2
114.09174	1.9
115.05448	1.3
116.01688	1.1
117.07025	0.7
119.08593	1.0
121.02916	0.8
121.06550	0.7
121.10147	1.5
122.03664	1.3
123.11705	0.5
127.03903	6.8
127.08714	0.7
131.04955	0.8
131.08493	0.9
133.06512	1.5
133.10120	0.7
135.11720	0.7
137.05971	30.9
138.06354	0.9
138.12802	1.4
144.01190	0.9
145.04958	1.9
147.04422	1.4
147.08046	0.6
149.06009	0.9
151.03894	0.8
152.07587	0.5
155.04961	0.6
155.08205	0.8
159.08043	0.8
160.05154	0.7
161.05984	5.5
161.09630	0.6
162.02214	1.8
163.03963	1.4
163.07515	3.7
167.07072	1.8
175.07527	9.7
176.07939	0.6
179.04872	3.2
181.05014	1.6
181.08640	2.0
187.07533	4.5
189.09105	0.6
190.07623	0.7
191.08577	2.6
199.07533	2.4
203.08598	0.7
218.07254	1.1
219.07986	4.0
220.08720	1.0
231.08156	1.1
233.05994	1.0
236.08289	0.6
247.07599	2.4
248.08157	0.8
251.10660	8.2
252.10948	0.7
261.09183	0.8
263.10712	1.1
264.26849	44.1
265.08371	0.5
265.27216	1.2
279.10193	6.4
282.27890	41.5
283.28314	1.8
291.10193	1.6
292.10818	0.7
300.28952	31.9
308.09152	3.0
311.09189	0.7
311.12784	15.0
311.16199	0.9
312.13116	1.1
323.12680	2.5
324.13092	1.1
324.29010	0.8
341.14087	1.5
342.29660	1.2
376.30701	0.9
416.14764	1.0
444.33261	5.8
462.34238	24.0
463.34567	1.4
510.41074	0.5
552.01758	0.6
624.39508	100.0
625.39899	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01861	1.1
55.05513	3.9
56.05030	1.7
57.03437	10.2
58.06597	1.3
58.52459	0.6
61.02912	2.4
67.05500	5.0
69.03436	5.9
69.07060	2.8
70.06586	4.2
71.01340	1.0
71.04967	0.9
71.58481	0.7
71.58855	0.8
72.08153	1.4
73.02918	20.7
74.06071	2.7
79.05482	2.7
79.50897	0.6
81.03420	1.9
81.07055	7.0
82.06577	0.8
83.08611	2.1
84.08162	3.6
85.02895	10.9
85.06609	0.8
87.04461	1.2
91.05482	1.7
93.07037	2.6
95.08603	5.9
97.02892	5.8
97.06552	1.0
97.10134	0.8
98.09694	2.8
99.04449	1.1
105.07040	1.5
107.08611	1.4
109.02876	1.9
109.10146	2.0
110.09663	0.8
111.04451	0.7
114.34195	0.6
115.03939	2.5
119.07138	0.7
119.08629	0.7
121.02884	1.4
121.10114	1.0
127.03925	2.2
131.08575	1.0
133.10051	0.9
135.11771	0.9
151.04031	0.8
163.03966	0.8
189.48846	0.7
248.23799	0.8
250.25293	28.2
250.27879	1.4
252.23251	8.5
268.26331	19.2
270.24258	1.1
276.23117	3.6
294.24316	4.0
312.25314	21.8
330.26367	46.5
340.19601	1.0
358.20358	1.0
389.63452	0.8
444.29572	0.8
462.30545	0.8
463.06387	1.5
474.30771	1.1
492.31726	15.1
606.34869	1.4
607.14850	0.7
614.09088	0.7
624.35901	100.0
625.36383	1.7
654.82782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01861	1.1
55.05513	3.9
56.05030	1.7
57.03437	10.2
58.06597	1.3
58.52459	0.6
61.02912	2.4
67.05500	5.0
69.03436	5.9
69.07060	2.8
70.06586	4.2
71.01340	1.0
71.04967	0.9
71.58481	0.7
71.58855	0.8
72.08153	1.4
73.02918	20.7
74.06071	2.7
79.05482	2.7
79.50897	0.6
81.03420	1.9
81.07055	7.0
82.06577	0.8
83.08611	2.1
84.08162	3.6
85.02895	10.9
85.06609	0.8
87.04461	1.2
91.05482	1.7
93.07037	2.6
95.08603	5.9
97.02892	5.8
97.06552	1.0
97.10134	0.8
98.09694	2.8
99.04449	1.1
105.07040	1.5
107.08611	1.4
109.02876	1.9
109.10146	2.0
110.09663	0.8
111.04451	0.7
114.34195	0.6
115.03939	2.5
119.07138	0.7
119.08629	0.7
121.02884	1.4
121.10114	1.0
127.03925	2.2
131.08575	1.0
133.10051	0.9
135.11771	0.9
151.04031	0.8
163.03966	0.8
189.48846	0.7
248.23799	0.8
250.25293	28.2
250.27879	1.4
252.23251	8.5
268.26331	19.2
270.24258	1.1
276.23117	3.6
294.24316	4.0
312.25314	21.8
330.26367	46.5
340.19601	1.0
358.20358	1.0
389.63452	0.8
444.29572	0.8
462.30545	0.8
463.06387	1.5
474.30771	1.1
492.31726	15.1
606.34869	1.4
607.14850	0.7
614.09088	0.7
624.35901	100.0
625.36383	1.7
654.82782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07073	2.1
69.26884	12.6
70.80920	1.6
78.34333	1.7
79.05474	2.1
81.07080	1.8
90.86715	1.8
94.48804	1.6
105.07029	2.0
118.77382	1.7
243.33534	1.8
258.55765	2.0
268.80255	1.7
315.19162	10.3
331.18793	18.6
331.76166	2.1
386.68738	1.7
391.19040	2.0
421.23834	2.3
429.17017	2.3
432.19531	2.8
433.20087	3.5
434.20697	2.3
445.20221	3.5
447.21960	3.9
449.23230	6.2
458.21054	2.1
461.19333	2.5
476.21613	5.2
477.22964	3.7
533.25647	2.4
535.26923	3.7
563.26617	13.4
564.27222	2.1
606.27917	2.8
623.28333	99.9
623.38953	100.0
624.28687	11.9
624.39050	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.392
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.6
69.26321	4.3
69.26772	11.2
74.76337	1.5
77.86954	1.2
95.75996	1.3
107.08618	1.7
119.08561	2.2
164.25186	1.5
223.08572	1.7
223.12273	1.7
315.19321	6.5
331.18887	14.4
391.19263	2.7
405.16467	1.5
405.21216	2.9
406.21155	2.2
407.22598	2.3
417.16882	2.1
419.18115	3.0
419.22989	1.8
421.23819	3.9
429.17218	1.5
431.18658	2.8
433.20227	4.0
434.20697	1.5
445.20358	3.4
447.21860	5.2
448.22577	2.6
449.23380	7.9
459.21893	3.0
461.19504	2.6
462.20547	2.4
464.61227	1.4
475.20941	2.2
476.21689	6.8
477.23026	7.4
489.22620	2.2
533.25171	2.8
535.26776	4.4
545.25171	1.6
553.45013	1.9
563.26440	17.4
564.26849	1.7
591.26617	1.9
595.27972	1.9
605.27728	2.1
623.28375	100.0
623.38983	71.7
624.28613	11.7
624.38922	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.6
56.96562	23.0
56.96821	1.1
63.32706	0.6
67.05451	0.8
68.54669	0.6
70.83659	0.7
70.83980	1.0
71.95257	3.0
74.97581	1.4
79.05487	11.8
81.07016	0.7
83.08559	0.7
84.95997	1.3
91.05464	2.5
95.04905	0.9
95.08598	0.7
98.97544	1.1
105.06972	2.3
107.08587	3.5
109.06457	0.6
115.00648	0.7
116.98580	1.1
121.01693	0.7
122.92255	0.5
123.01137	0.9
126.03999	0.5
128.98544	2.3
131.00182	0.6
133.01680	1.2
133.10164	0.7
134.99606	1.5
141.02165	0.8
145.01677	0.8
146.99644	6.8
147.03308	1.1
149.01187	0.9
149.02290	1.2
155.03752	1.3
159.03284	0.7
161.01158	1.4
161.04829	0.8
163.02792	0.7
165.00722	2.6
167.03758	0.6
168.15874	0.5
169.01682	1.1
169.05290	1.3
170.01274	0.7
171.03284	3.3
173.04828	4.2
175.02676	1.0
181.05388	0.9
183.03203	1.0
184.04109	0.6
185.04803	1.7
187.02838	1.2
187.06458	0.7
189.04306	3.6
191.04286	0.5
191.05905	3.6
193.03712	1.1
195.06964	0.8
197.04811	0.9
197.08437	0.6
199.02693	1.2
199.06393	3.2
201.04297	1.2
201.07855	2.0
202.05099	1.1
203.05911	5.3
209.06850	0.8
211.06349	1.0
213.04294	0.8
213.07974	0.8
215.09482	1.3
217.07484	4.4
219.08932	1.6
221.06934	1.0
223.02774	1.3
223.06450	1.1
225.04343	3.6
225.07994	1.8
227.05933	0.8
229.07457	1.9
229.22884	0.6
231.09032	0.7
237.09917	0.8
239.05765	0.8
241.07362	0.7
243.05424	1.7
243.09058	10.6
244.38982	0.5
245.06862	1.2
247.08524	2.3
253.07437	1.0
255.09050	2.7
261.10077	9.0
266.10544	1.8
268.09769	2.0
271.08560	0.9
273.10135	2.0
281.10535	1.9
283.12061	1.0
286.10913	1.4
293.28848	0.7
299.11847	1.5
313.14600	1.8
319.12100	1.0
323.11844	0.6
329.14151	1.3
331.15759	62.7
347.15210	1.8
349.16833	100.0
350.17157	2.2
357.43359	0.5
367.17871	13.3
372.18442	19.5
373.18579	0.7
390.19528	1.5
413.20993	0.7
581.23102	0.6
623.36145	57.9
624.36920	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01860	4.1
55.05514	23.6
56.62791	2.1
57.03432	6.5
61.02927	33.9
65.03942	2.4
67.05173	3.7
67.05506	51.8
68.62305	2.0
69.03429	7.9
69.07066	22.8
70.54709	9.0
71.05000	4.2
73.02921	7.6
79.05496	40.0
81.03425	6.1
81.07057	46.9
83.04999	5.1
83.08622	14.5
85.02905	22.5
85.06553	3.6
91.03981	15.0
91.05486	60.1
93.07043	37.4
95.04970	9.1
95.08607	31.6
97.02903	17.9
97.06534	9.2
97.10196	4.4
99.04450	4.5
99.08065	2.8
103.05508	4.1
105.07035	41.2
107.04962	10.0
107.08599	20.5
109.02891	3.0
109.06506	6.3
109.10147	14.4
110.23351	2.2
111.08099	5.1
115.05421	6.6
117.07028	31.9
119.08582	26.6
121.06506	9.0
121.10152	7.9
123.04427	4.2
123.08074	4.1
127.03897	4.7
128.06232	8.8
129.07008	38.4
131.04953	3.0
131.08566	42.7
133.06519	4.6
133.10121	13.6
135.08041	5.1
135.11725	4.7
137.09641	4.5
141.07004	18.2
142.07782	4.7
143.08589	27.8
145.06485	10.2
145.10124	20.2
147.08052	7.2
147.11707	6.7
149.05972	5.5
149.09644	4.0
151.07558	4.3
153.07008	3.4
155.08565	25.7
156.67773	2.3
157.10144	17.9
159.08043	7.3
159.11656	13.1
161.05986	2.8
161.09624	5.6
161.13278	3.5
163.07581	8.2
163.11192	4.9
167.08577	11.1
169.10133	18.7
171.08206	2.7
171.11644	13.3
173.09634	4.8
173.11674	3.2
173.13324	5.1
175.09756	2.9
175.11218	6.0
177.12744	4.9
179.03421	16.8
179.08577	6.4
181.08664	3.0
181.10040	10.9
183.11708	11.5
185.09595	3.0
185.13263	7.2
187.11174	3.5
193.10193	5.7
193.12137	3.4
195.11702	17.0
197.13290	9.1
199.14922	5.0
203.10635	3.2
205.12178	4.1
207.11728	4.9
209.13275	9.6
211.11189	4.2
211.14847	6.0
213.12811	2.7
213.16536	3.4
215.14345	6.9
219.11786	2.6
221.13390	13.2
221.15149	2.6
223.14841	7.8
225.16286	3.1
235.14851	5.2
239.14365	6.4
241.16132	2.9
243.14027	2.4
245.08104	4.0
251.14450	3.4
253.15802	3.9
257.15213	4.7
271.17020	5.0
285.18637	4.4
305.22656	2.9
323.23734	8.0
333.22177	17.2
341.24780	7.5
351.23184	47.8
369.24203	42.3
387.25439	16.9
425.26865	9.0
443.27939	100.0
444.28070	4.3
461.28940	52.5
465.63214	2.3
623.33569	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22975	1.3
53.17823	1.5
55.05514	1.8
67.05485	2.6
69.38988	14.6
69.67901	1.5
79.05491	1.8
81.07051	3.6
91.05504	2.3
93.07025	1.9
105.06998	1.5
107.08558	2.0
127.25935	1.4
136.54779	1.3
250.96800	1.4
315.19540	2.2
391.19342	1.9
406.22006	2.1
433.20227	4.3
434.20816	1.6
435.21640	2.0
445.20105	3.5
447.22397	3.3
449.23380	5.7
463.21484	1.9
476.21805	5.4
477.22705	4.5
533.25623	4.0
535.26978	3.0
563.26501	17.4
605.27167	4.7
623.28381	100.0
623.38989	38.1
624.28644	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.8
55.23906	2.0
64.41763	1.8
67.05498	2.0
69.07088	1.9
71.32930	2.1
71.33286	4.7
75.68553	1.9
79.05497	3.5
90.65945	1.7
91.05447	2.9
93.07066	2.2
95.08627	3.5
109.10112	1.8
143.85831	1.8
216.26909	1.9
263.29190	1.9
331.16620	2.4
344.58405	2.1
349.72455	1.9
351.68430	1.9
391.19116	2.1
405.20898	2.5
406.21082	2.6
433.19736	4.4
443.18451	2.3
445.20013	2.9
446.20523	3.2
447.21255	3.3
449.22574	3.4
459.22070	3.0
460.22156	3.9
474.97101	2.3
475.20554	2.3
476.21109	2.7
477.21805	2.9
521.21655	2.6
533.24994	2.3
535.26282	5.5
560.64996	1.9
563.25769	11.5
605.27148	5.9
623.28040	100.0
623.38953	39.3
624.28387	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05503	1.4
67.05500	3.3
69.07065	1.2
69.45808	5.7
71.10947	0.6
79.05485	2.1
81.03423	0.9
81.07059	2.6
91.05499	1.9
93.07036	1.5
95.04948	1.0
95.08591	1.3
97.06543	1.7
104.49512	0.6
105.07049	3.0
107.08603	1.4
109.10175	0.9
117.07025	1.3
119.08594	1.7
124.12061	0.6
131.08574	1.2
133.10147	0.7
145.10201	0.9
161.13257	0.8
193.87756	0.6
275.20090	2.2
298.13284	0.7
315.19330	0.9
326.89056	0.7
331.18835	7.8
373.14697	0.7
390.18430	1.0
401.17563	1.0
402.18430	0.9
403.19241	1.9
404.19565	0.8
405.21124	1.6
415.19452	1.1
417.16898	1.9
417.21317	1.9
419.22592	4.2
428.16562	0.7
429.16385	0.7
430.17508	0.9
431.18689	2.6
431.23135	1.5
432.19269	1.6
433.20303	1.6
443.18661	3.4
444.19434	1.2
445.20169	8.0
446.20966	5.0
447.22098	4.4
449.23721	1.7
457.20004	1.3
458.21545	0.8
459.21973	3.6
461.19626	0.8
462.20825	1.9
463.21057	3.1
473.23535	1.0
475.21490	1.2
476.21948	6.1
477.22900	6.8
489.22775	1.3
521.21814	1.1
533.25415	13.9
533.32849	0.9
535.26025	0.9
545.25201	0.9
563.26544	15.8
593.27368	3.2
605.27765	1.5
623.28656	100.0
624.28796	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76624	1.9
71.36660	3.3
74.51241	1.5
81.07120	1.6
150.94762	2.0
405.20923	3.6
415.19318	3.0
429.20920	4.2
433.19894	3.4
447.18445	5.4
457.24075	2.9
459.21927	3.8
460.22781	4.0
461.19345	12.3
475.21399	2.4
476.21609	12.9
485.23376	10.4
486.20868	4.5
488.22607	2.3
500.21930	3.0
503.24670	10.1
504.21619	1.9
515.24255	9.2
518.23651	2.5
521.25659	11.3
531.23877	20.7
549.24780	12.0
559.23633	9.2
563.26416	4.0
564.26685	3.5
591.26025	47.7
595.26263	2.6
605.38953	2.3
623.28729	100.0
624.28644	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31423	1.6
52.30692	1.3
56.58279	1.3
60.73529	1.4
71.09079	1.6
71.09402	2.7
72.52114	1.5
83.58974	1.4
121.67649	1.7
122.87521	1.3
146.00101	1.4
168.08429	1.4
187.90633	1.6
202.09534	1.4
213.46307	2.1
313.29398	1.9
375.16772	1.7
377.17487	2.8
389.18137	1.5
390.18820	2.5
391.19122	4.5
392.19904	5.3
393.20654	2.1
399.16205	2.6
400.17041	2.4
401.17621	3.1
404.20468	3.3
405.20847	6.5
406.21713	6.0
407.22241	14.1
412.17319	1.8
413.17932	2.2
414.18503	2.9
415.19006	7.4
420.23135	3.2
421.23935	11.3
422.24570	3.2
427.19205	2.7
428.20078	4.4
429.20804	14.2
430.21765	2.2
438.20190	1.8
443.22507	9.5
444.23102	4.6
445.20288	3.7
455.18646	1.6
456.19339	1.7
457.24033	5.0
458.24701	5.7
459.22171	7.3
460.22363	2.3
461.19806	5.2
462.20712	2.4
471.22427	1.8
472.22482	5.4
473.23978	2.1
475.21326	7.9
476.22134	4.8
477.22879	1.7
485.23703	9.4
486.24097	3.3
488.22629	2.2
489.22607	2.9
499.21271	4.2
500.21857	2.7
503.24628	6.6
513.22974	3.4
517.25952	7.0
524.87958	1.8
535.27094	4.9
545.25415	83.6
546.26050	4.7
564.27673	2.3
573.24945	18.4
591.25635	1.8
605.27539	100.0
606.28210	3.0
623.28583	78.3
624.28650	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84850	3.1
55.28311	2.9
59.10469	2.8
69.86163	10.8
69.86587	7.2
93.07041	3.9
95.81614	3.0
100.02303	2.6
101.51678	2.7
116.76302	3.6
119.05222	2.9
119.09846	2.9
167.74600	2.7
226.17520	3.2
289.73886	3.1
391.65186	2.9
398.48920	2.9
419.17999	3.8
447.18234	6.6
461.19611	6.5
472.22903	3.3
476.22006	22.5
477.22198	4.0
485.23053	6.4
515.23706	4.1
531.23969	5.2
545.25879	13.7
563.26471	5.5
567.29095	3.4
591.25665	4.8
605.37738	16.7
623.28265	100.0
623.38013	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50303	1.0
55.05498	2.1
67.05490	3.7
69.07063	2.2
71.58538	1.9
79.05507	3.1
80.81697	1.1
81.07057	2.5
91.05476	2.9
92.29393	1.1
93.07040	2.6
94.17352	1.0
95.08613	2.2
105.07023	2.9
107.08604	2.4
109.10128	1.6
117.07061	1.7
119.08589	2.2
121.06511	1.0
131.08620	1.2
133.10132	2.8
145.10060	2.2
167.27907	1.0
169.10074	1.7
183.11588	1.2
315.19016	1.4
331.18631	5.3
335.44623	1.2
375.16275	1.4
377.17737	2.6
386.15601	1.4
387.16046	1.8
391.19223	2.8
392.20343	2.0
393.20767	1.9
399.16022	1.2
400.17130	2.2
401.17764	3.1
405.16614	1.8
407.22482	3.9
413.17496	2.8
414.18594	2.2
415.19235	4.9
419.18454	1.7
419.23080	1.4
421.20145	2.0
428.19888	2.0
429.16309	1.5
429.21277	1.6
431.18381	1.7
443.18283	1.8
444.19434	3.0
446.21222	1.4
447.18225	4.9
448.19125	1.5
459.17819	2.1
461.19702	4.4
462.20456	3.2
463.21368	3.4
465.53662	1.3
471.21698	5.0
473.19516	1.5
474.20303	3.7
475.16983	1.4
475.21851	2.5
485.19308	3.6
486.20078	2.5
489.22940	4.2
490.19287	6.5
491.20605	2.4
499.21365	10.3
500.18109	1.5
501.22601	4.9
503.20737	4.9
507.23807	1.5
513.19189	4.2
517.22321	18.7
527.20587	3.1
529.22534	6.9
531.20355	3.1
535.23486	4.9
545.21790	33.7
563.23102	2.5
564.23328	2.3
573.21423	11.7
577.24402	3.5
591.22296	7.0
595.25415	1.8
605.23859	53.5
606.24231	2.4
623.24976	100.0
623.41534	5.7
624.25116	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.0
67.05495	7.0
79.05475	7.2
81.07061	4.2
91.05461	3.7
93.07018	5.3
94.03123	2.6
95.08591	3.7
98.21494	7.1
105.07036	4.0
107.08531	3.1
113.36070	2.6
133.10118	3.0
145.10143	2.8
163.32530	2.6
179.45074	2.7
191.33778	2.7
274.60172	2.5
339.33698	2.4
363.16583	2.6
391.19089	3.7
401.17426	4.2
407.22256	3.8
414.18408	4.7
415.18991	7.7
419.18591	4.5
458.20657	3.1
461.19507	4.8
471.21594	9.9
473.19275	3.6
474.20728	5.6
486.20563	5.0
489.22876	8.0
491.20612	5.6
499.21326	15.7
501.22675	7.6
503.20700	6.9
517.22601	12.6
527.20398	3.9
529.21832	12.0
535.23145	5.3
545.21771	60.8
563.23633	3.6
573.21417	20.9
595.25385	3.1
605.23877	100.0
605.38721	3.7
606.24115	3.1
623.24780	79.5
623.38586	18.7
624.24933	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05466	0.4
55.01855	1.2
56.49574	0.3
57.95401	0.4
67.05486	1.7
71.58147	0.8
79.05470	1.8
81.03397	1.2
81.07036	1.0
83.08617	0.5
83.80554	0.4
85.02886	1.2
91.05489	1.0
93.07032	0.9
95.01349	0.9
95.04941	2.5
95.08609	0.6
105.03391	4.2
105.07028	0.6
107.04933	1.3
109.02876	0.5
119.04929	0.5
119.08523	0.5
122.81052	0.4
123.04410	5.6
127.51955	0.4
133.02817	2.5
135.04454	0.6
141.87700	0.4
146.18329	0.4
151.03879	5.1
161.02328	2.3
161.05937	3.0
163.03873	1.0
163.07542	0.6
171.08037	0.6
177.09096	0.5
179.03380	100.0
180.03696	1.4
187.07541	0.6
199.07605	0.8
201.05458	1.0
203.10629	1.5
211.07509	0.4
215.06987	1.3
216.07753	1.4
223.07538	0.5
227.07016	1.4
229.08624	1.0
242.05563	0.4
243.06476	1.6
245.08075	37.3
246.08427	0.8
255.06483	1.2
267.06403	0.5
271.09653	0.7
293.08047	2.1
294.08459	1.2
295.09781	0.5
297.07632	1.4
304.56177	0.4
309.11282	0.5
315.08679	1.8
429.09454	0.8
447.10464	0.7
471.14160	1.2
622.46960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01868	1.1
55.05505	2.5
57.03444	2.6
61.02923	3.7
65.37304	0.5
67.05510	2.6
69.03428	12.7
69.07063	3.4
69.49195	3.4
70.06585	4.8
71.05005	1.6
72.08146	0.6
73.02907	3.2
74.06104	0.5
79.05493	2.2
80.05048	0.5
81.03418	3.2
81.07052	3.0
82.06595	1.0
83.01357	0.7
83.08631	1.0
84.08118	0.8
85.02906	17.8
85.06534	0.6
87.04453	2.7
91.03916	0.7
91.05477	2.2
93.07066	3.1
94.06576	2.6
95.04990	0.7
95.08612	2.4
96.08123	4.9
97.02891	7.4
99.04472	1.6
103.03970	1.3
105.07053	1.2
107.04984	0.6
107.08580	1.8
108.08107	3.1
109.02873	3.0
109.08898	0.9
109.10136	0.8
110.09676	1.8
119.08595	1.0
120.08110	0.6
121.02928	0.6
121.06460	0.7
121.10134	1.2
122.09671	4.6
124.11211	0.7
127.03909	4.2
128.07098	0.9
131.14253	0.5
135.11710	0.6
136.11230	1.4
138.48253	0.6
140.07120	0.5
140.10793	0.6
145.05009	0.8
149.05992	1.4
150.12756	0.6
211.52377	0.7
260.23758	1.2
262.25302	31.2
280.26355	31.0
287.05521	0.7
298.27399	21.6
340.28586	1.1
419.71338	0.5
442.31882	3.8
460.32718	18.8
461.33350	0.7
502.33139	0.7
622.37946	100.0
623.38342	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.2
55.05495	11.9
57.03422	3.4
57.07058	4.3
59.04962	4.0
61.11686	2.9
67.05498	22.2
69.03423	31.5
69.07064	24.1
70.06559	3.4
71.04987	8.0
71.57798	5.2
79.05482	14.9
81.03408	12.0
81.07055	74.6
83.04982	4.1
83.08615	8.6
84.55149	3.9
85.02873	16.1
85.06536	7.3
87.00826	4.2
90.70007	3.8
91.05477	17.5
92.36047	3.1
93.07037	30.6
95.04958	10.3
95.08601	58.0
97.02905	8.1
97.06494	6.0
97.10145	6.9
97.20595	3.0
99.04427	3.8
101.40543	3.5
105.07018	24.3
106.07365	3.7
107.04947	4.4
107.08591	29.6
109.02895	4.2
109.06512	3.5
109.10151	27.2
111.04469	4.5
111.08057	7.6
111.93667	3.7
119.08561	23.5
121.06478	4.5
121.10137	29.5
123.04408	5.4
123.08071	8.9
123.11703	92.2
125.09610	5.6
127.03911	8.7
131.04860	2.9
131.08563	6.6
131.90675	3.1
133.10118	12.1
135.08086	4.7
135.11674	22.2
137.05965	7.9
137.09592	31.3
139.07526	42.9
139.11160	5.1
143.08589	11.1
145.10118	12.2
147.08038	6.6
147.11685	11.6
149.05957	3.6
149.13199	8.2
151.11162	3.6
153.12686	3.5
155.10674	13.1
157.08580	4.8
157.10130	4.8
159.11681	12.2
161.05890	6.1
161.09662	5.2
161.13257	8.6
162.09091	4.5
163.03951	3.5
163.07466	3.1
163.11160	4.6
165.09134	31.3
165.12717	3.7
167.07004	4.5
170.16617	3.1
171.08012	31.5
173.09680	4.0
173.13324	4.6
177.09225	3.2
179.03357	21.4
180.03726	7.6
183.10150	11.3
185.09598	5.0
187.14847	4.2
189.09029	10.1
191.17860	18.5
201.11162	13.5
203.10654	86.6
204.11055	5.5
250.10820	4.2
256.06631	4.6
267.62271	3.7
274.40289	3.9
283.09659	13.3
285.22205	4.0
288.10770	3.6
291.23154	32.2
303.23105	28.6
309.24274	31.7
321.24216	100.0
334.11267	4.6
339.15823	13.4
339.25269	27.4
622.33972	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44386	0.5
53.76410	0.5
60.16317	0.5
74.40948	0.5
132.08064	1.1
181.07510	0.6
182.09749	0.8
195.09052	0.9
201.55144	0.5
207.09193	1.1
209.10753	1.7
221.10760	1.0
222.11397	0.9
223.08656	1.1
223.12366	1.5
224.13161	0.6
225.10258	1.0
225.13945	1.7
233.10864	0.7
235.12378	1.6
237.10281	0.8
237.13910	1.9
239.11905	0.7
247.12265	1.0
249.13867	0.6
251.08154	0.9
260.13028	0.6
262.09995	0.6
275.11630	0.6
284.11960	0.6
307.11261	0.6
309.12643	1.0
326.13055	0.8
327.13437	0.8
338.12827	1.9
340.14493	0.8
342.12326	0.6
356.13760	0.7
370.15567	0.9
375.16068	1.1
376.17902	0.8
377.17664	0.9
388.17191	1.1
389.17755	1.8
390.18753	0.7
391.19534	1.2
402.14777	1.7
403.14597	2.8
403.19278	2.3
404.15683	1.3
404.20273	1.3
405.16446	0.7
405.20834	2.2
416.16296	1.4
417.16867	5.1
418.17474	3.3
419.18109	3.2
420.23392	0.7
431.18933	3.2
432.19501	4.1
433.20358	3.8
443.18799	0.8
445.15680	3.8
446.17267	3.5
447.18182	9.3
447.22739	3.7
448.18317	1.3
448.23190	1.4
449.23880	1.0
458.20724	0.8
459.17963	1.8
460.18362	3.2
461.19263	9.8
462.20355	7.3
472.18771	0.9
473.19574	1.2
474.20395	2.2
475.21262	27.6
476.21948	11.8
477.22894	8.8
479.24606	1.2
487.20975	1.3
488.21808	1.8
489.23132	2.8
490.23618	0.9
502.22754	0.8
503.20218	4.8
504.22342	0.9
505.22495	1.0
506.19958	0.8
515.20453	1.2
516.21466	0.7
517.22681	0.9
519.24817	1.3
521.21051	0.7
531.23792	0.8
533.21381	1.5
534.26788	2.8
535.23145	13.7
536.23956	2.6
547.23059	4.1
548.24341	1.6
549.24963	2.1
561.24774	1.5
562.25330	15.8
563.26563	15.3
564.26648	0.7
566.29095	1.1
575.23132	1.4
579.26117	1.8
590.25061	7.7
593.23950	6.4
594.28412	6.3
604.25775	0.7
605.27325	1.3
607.25452	6.2
622.27740	100.0
623.28412	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03691	0.8
55.01839	0.9
55.05498	1.4
59.42828	1.0
60.81263	0.8
63.68145	0.9
67.05492	2.1
69.03413	2.3
69.07054	2.8
69.94500	4.7
70.06561	1.0
71.04979	1.2
78.09657	0.9
78.58898	0.9
79.05480	2.3
81.03401	3.1
81.07039	3.5
83.05035	0.9
85.02899	4.3
86.09682	1.0
87.00818	1.1
91.05470	3.7
93.07038	2.3
95.04973	2.0
95.08598	2.0
97.02847	1.2
100.11264	1.3
105.01887	0.9
105.07015	2.2
107.08617	1.6
109.02892	2.4
109.06542	1.0
115.05466	1.2
121.06514	1.0
121.10094	1.5
123.04423	3.5
123.11737	1.6
127.03924	3.0
128.06212	12.8
143.08546	22.2
145.04932	1.5
145.06415	1.4
145.10075	1.5
147.04416	1.4
149.05957	6.0
151.07605	1.1
159.11723	1.0
161.05859	1.0
171.08038	53.7
173.06015	3.6
173.09633	3.8
179.03416	1.1
185.09598	8.2
189.09009	1.5
203.10654	100.0
221.11792	3.8
237.71196	0.9
246.19337	1.1
275.23788	1.0
303.23172	2.1
321.24298	3.5
337.14261	1.5
339.15652	1.8
622.47980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00034	1.7
55.05493	4.0
67.05509	3.4
69.03426	2.0
71.57931	2.4
71.58324	1.9
81.03415	5.6
81.07078	3.1
85.02897	2.6
91.05471	12.2
92.58183	1.9
93.07020	3.3
95.08616	4.0
96.25319	1.8
97.02866	4.1
98.21378	2.1
105.07007	2.8
107.04971	2.3
107.08624	2.3
119.04931	13.6
123.04430	4.1
125.58794	2.0
128.06230	4.2
135.04448	2.9
135.08076	2.1
137.05975	4.6
143.08572	6.9
147.08084	2.4
149.05969	79.0
150.36761	1.8
161.02327	2.3
163.07556	5.7
171.08046	14.2
173.05980	2.4
175.07552	2.4
187.07520	2.6
189.09187	2.9
200.39348	1.9
203.10661	83.0
204.11131	2.0
207.10143	12.6
209.23450	1.9
221.11710	100.0
245.11659	4.0
247.13199	3.9
339.15720	4.1
340.73254	2.0
357.17160	2.2
359.65604	2.0
383.39401	2.2
397.11563	2.2
435.17212	2.4
531.41119	2.1
622.32336	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86207	1.1
55.05499	1.9
67.05489	2.4
69.03416	2.0
69.07082	1.4
69.89579	2.6
69.89996	3.9
75.99678	1.0
79.05482	2.1
81.03409	2.6
81.07053	3.7
83.08613	1.2
85.02892	3.5
91.05476	3.9
93.07040	2.6
95.04981	1.3
95.08607	2.6
97.02879	2.2
97.06528	1.6
98.20724	1.2
101.63343	1.1
101.74799	1.0
102.05021	1.0
105.07016	2.6
107.08603	1.4
109.02876	1.4
109.10150	1.7
115.56322	1.1
119.08600	2.4
121.10111	1.4
123.04426	2.6
127.03914	1.4
128.06232	8.0
133.10124	2.1
135.11667	1.2
141.06981	1.6
143.08566	18.1
145.06439	1.5
145.10196	1.2
149.02342	1.3
149.05975	4.3
151.44514	1.2
158.51213	1.2
161.02307	7.5
162.02646	2.1
163.03923	1.4
163.07538	2.4
171.08044	39.2
173.05919	2.0
173.09607	2.2
179.03406	1.7
180.03661	1.5
183.00070	1.2
185.09605	4.7
188.08156	1.1
203.10664	100.0
221.11711	1.4
228.07240	1.8
339.15909	5.1
457.87677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05506	0.7
57.03435	0.6
67.05499	0.6
69.03423	0.6
69.07056	0.5
70.30058	1.3
79.05477	1.1
80.21019	0.3
81.03416	1.5
81.07056	1.7
85.02924	1.7
87.00838	0.8
91.05474	2.6
93.07024	1.4
95.04960	0.6
95.08600	1.3
97.02895	0.7
99.04442	0.4
100.11255	0.4
101.57767	0.3
103.05445	0.8
105.01891	0.5
105.07027	2.7
106.05711	0.3
107.04926	0.8
107.08570	1.0
109.02885	0.5
109.10150	1.1
117.07015	0.7
118.15659	0.3
119.04910	1.2
119.08567	2.5
121.06498	0.5
121.10141	0.5
123.04405	0.6
125.09647	0.3
127.03919	1.0
128.06238	1.9
131.04967	0.3
131.08493	0.5
133.06519	0.4
133.10123	1.1
135.04442	1.6
135.08012	0.7
137.05968	0.9
137.09586	0.5
143.08545	3.4
145.06482	0.5
145.10124	0.3
146.07225	0.5
147.04407	11.5
147.08043	22.5
149.05959	0.5
151.07689	0.4
159.25215	0.3
161.02266	0.6
161.05962	0.7
161.09590	2.6
163.03905	0.5
163.07558	3.5
165.09195	0.3
168.13791	0.3
171.08049	8.7
173.06003	0.4
174.06743	1.3
189.09100	100.0
190.09453	0.6
191.10756	0.4
203.10687	3.6
207.10214	2.2
215.10741	0.6
265.64539	0.4
268.68011	0.3
303.22940	0.5
321.24240	1.2
339.15927	3.3
339.25165	0.5
419.13358	0.3
432.64795	0.4
442.42117	0.3
489.41205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59067	13.1
55.01871	19.5
55.05506	28.2
67.05486	76.6
68.97910	13.2
69.07056	52.3
69.57015	14.2
69.85430	100.0
70.06576	17.9
79.05495	54.7
81.03419	42.6
81.07065	86.6
83.04980	15.4
83.08615	23.5
91.05479	75.8
93.07041	54.9
95.04955	25.8
95.08604	36.3
97.10146	16.5
98.20714	27.4
105.07022	61.3
107.04976	50.6
107.08626	25.3
109.06529	24.1
109.10191	16.5
117.07072	17.2
119.08600	25.7
121.10181	19.1
123.04436	18.9
127.03987	32.1
130.25160	15.6
131.08516	24.6
133.10158	22.2
135.11765	21.9
136.59203	16.4
137.02344	49.7
145.06444	18.1
145.10135	15.2
147.11610	16.2
149.02318	47.2
149.05986	20.8
151.65924	15.9
159.11659	19.9
161.02342	72.0
161.05981	26.9
163.03844	24.1
163.07590	21.9
167.03477	19.4
177.01891	59.0
179.03400	54.9
189.11256	21.7
193.04881	38.5
196.09924	20.2
200.20135	19.8
224.41628	16.9
255.06601	31.3
256.26447	29.0
268.32544	15.0
275.20148	26.4
295.05878	26.2
311.12726	42.1
359.09070	34.3
516.94910	17.8
561.24066	18.4
562.26416	19.4
563.20410	15.8
565.18243	17.0
621.33813	31.4
621.48145	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05507	1.9
60.17466	1.4
67.05512	1.5
69.07072	1.9
69.89993	3.1
69.90405	3.8
79.05482	3.0
81.07050	2.3
91.05463	1.9
93.07061	2.3
95.08590	2.5
98.20742	1.4
100.60841	1.2
105.07026	1.8
107.04955	2.0
119.08544	1.9
128.84901	1.2
149.02376	1.4
149.97839	1.1
152.51801	1.2
292.19843	1.2
299.13950	1.4
389.17728	3.3
401.17706	1.9
402.18686	1.9
403.19263	3.3
405.20859	2.1
417.16547	6.6
418.21713	1.6
419.22391	8.6
430.17920	1.8
431.18042	6.4
432.19360	2.4
433.20410	2.2
445.20142	7.1
446.21042	5.6
447.21814	12.3
461.19785	1.6
474.20251	7.1
475.21466	10.1
487.21304	3.8
501.22607	2.0
505.26361	2.0
533.25562	14.2
561.24908	21.6
593.27539	2.9
621.27057	100.0
622.27435	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.03844	1.3
51.28049	1.5
106.33276	1.6
153.88086	1.5
164.12456	1.3
214.25520	1.5
388.16785	2.4
389.17770	2.6
402.18304	2.0
403.19302	2.9
404.19861	1.9
419.22333	5.1
431.18076	2.6
431.23108	2.0
445.20679	4.1
446.21002	4.0
447.21808	8.5
459.18060	3.7
474.20413	9.3
475.21262	15.6
487.21255	3.4
494.10532	1.4
501.23309	3.5
518.23273	1.5
533.25891	8.0
561.24988	33.1
562.24817	1.9
575.62238	1.5
621.27075	100.0
622.27148	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.03969	1.1
69.90528	0.9
70.21753	3.3
70.22156	2.5
71.91689	1.2
76.15221	1.1
93.07069	1.2
102.81718	1.0
107.08610	1.5
119.08616	1.4
133.13451	1.1
212.94221	1.1
262.10938	1.1
377.35583	1.2
388.16718	2.1
389.17786	2.7
390.18588	2.2
403.19217	4.6
404.20172	1.6
405.21115	2.2
417.17206	4.5
417.21768	1.7
419.22510	6.0
430.17572	1.5
431.18210	6.0
432.19400	2.4
433.13940	1.2
433.20300	3.0
445.19952	5.2
446.21158	5.8
447.21823	9.0
459.22098	3.0
474.20337	5.8
475.21384	7.7
487.21222	3.8
501.23056	1.2
505.25861	1.4
533.25525	10.3
561.24921	30.2
562.25299	2.2
589.24243	1.4
593.27527	4.6
621.27087	100.0
622.27881	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29646	60.5
70.73026	65.0
77.94599	60.5
86.10921	69.6
138.12585	69.4
561.24225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2695
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
60.12816	6.5
62.85337	6.9
71.09299	13.9
76.62908	7.2
102.39310	6.8
166.45424	8.0
243.11194	8.4
434.66998	7.9
447.21783	12.9
475.21686	9.6
501.21951	10.2
504.21555	8.5
533.25293	12.2
561.24774	100.0
621.27112	76.4
621.37512	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	31.2
56.92051	5.3
67.05503	66.5
69.07064	36.2
70.63499	18.4
73.52274	4.9
75.27818	5.9
79.05501	53.0
81.03421	8.3
81.07069	49.4
83.04964	8.0
83.08602	13.4
91.05472	50.8
93.07037	48.2
95.04949	18.9
95.08598	37.4
97.06527	13.8
97.10146	9.9
105.07023	33.1
107.04943	22.5
107.08598	30.4
109.10164	30.1
117.07005	21.9
119.08595	43.5
121.10133	24.9
123.08060	6.5
125.09666	5.9
129.06970	6.4
131.08575	22.2
133.10120	25.4
135.08044	16.5
137.09590	17.6
139.11229	13.5
143.08615	7.1
145.10068	20.0
147.11688	15.0
149.09607	17.6
149.35336	5.2
155.10548	6.6
159.11659	16.6
163.11263	6.7
171.11658	10.8
174.11507	5.8
203.12781	15.7
229.19540	6.0
257.19022	8.0
275.20065	100.0
293.21127	39.5
368.54813	5.6
535.91656	7.7
542.78229	6.4
605.80682	6.4
620.43842	19.7
621.37408	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23433	10.2
58.48859	9.2
64.93436	11.2
67.05508	36.7
69.07049	25.8
70.41691	27.7
70.42085	20.2
79.05495	29.8
81.07063	32.3
90.49447	10.3
91.05464	19.8
93.07040	48.9
105.07016	29.7
107.04939	14.5
107.08587	23.5
116.24709	9.9
119.08578	30.0
131.08572	14.5
133.10107	17.9
135.08035	26.2
171.11778	11.3
203.12778	20.8
203.91660	9.9
257.18997	17.8
275.20026	100.0
283.94470	14.2
293.20865	62.7
375.37912	12.6
561.24957	18.8
621.27161	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
54.28367	2.8
55.01863	7.8
55.05508	22.4
57.03418	5.3
57.07058	3.5
65.03929	3.1
67.05503	50.4
69.03413	4.1
69.07063	32.9
69.25067	36.3
71.04999	4.7
79.05489	44.9
81.03419	5.0
81.07049	35.6
83.04977	6.6
83.08614	8.8
85.06531	4.0
91.05477	39.0
93.07047	44.0
95.04960	14.4
95.08614	36.1
97.06507	5.5
97.10154	10.0
103.05447	3.3
105.07014	30.8
107.04955	15.9
107.08592	26.8
109.06500	5.8
109.10162	18.5
117.07017	16.2
119.08562	30.8
121.06512	7.9
121.10153	21.9
123.08072	4.5
123.11687	3.1
125.09607	6.2
129.06999	4.2
131.08540	19.6
133.10126	27.4
135.08041	17.1
135.11676	6.2
137.09590	7.7
139.11150	12.7
141.06996	3.8
142.07698	3.1
143.08498	3.8
145.10107	15.4
147.11681	13.8
149.09616	10.2
155.08568	3.7
157.10129	7.0
159.11664	6.5
161.13206	4.4
163.11066	5.7
163.26802	3.0
171.11618	5.5
173.11777	3.3
173.13293	8.5
183.11699	6.2
185.13176	4.5
189.11237	7.0
197.13228	4.3
203.12698	17.1
213.16342	2.8
215.01398	2.6
237.14737	5.8
247.20624	3.7
257.18958	12.7
272.10138	3.3
275.20026	100.0
293.21097	50.5
305.82565	3.0
486.78369	3.5
545.41241	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01854	5.1
55.05514	17.1
57.40154	2.1
67.05505	31.7
69.07066	28.0
71.04986	4.6
71.50512	2.4
71.50842	4.0
79.05494	34.4
79.79427	2.1
81.03413	2.5
81.07056	33.7
82.09718	2.3
83.04981	4.9
83.08631	4.5
91.05484	25.2
93.07042	38.7
93.10004	2.7
95.04970	13.9
95.08604	21.9
96.48914	2.3
97.06525	5.6
97.10167	6.2
103.05452	2.1
105.07026	29.2
107.04952	17.0
107.08588	17.5
109.06478	3.6
109.10126	8.2
111.08031	2.7
117.07024	7.8
119.08584	26.5
121.10155	16.5
129.06943	2.6
131.08594	13.0
133.10129	19.3
135.08080	14.2
135.11749	3.2
137.09579	4.5
139.11160	10.1
143.08597	2.8
145.10168	12.5
147.11668	8.7
149.09576	6.8
151.11137	2.1
155.08459	2.4
157.10010	2.8
159.11723	8.2
161.13301	2.6
171.11821	3.6
173.13280	4.7
177.12727	3.0
203.12715	13.2
207.13774	2.4
225.15001	2.2
232.67198	2.5
237.14886	7.8
257.18970	5.8
275.20056	100.0
291.19305	2.4
293.21097	37.2
386.50262	2.6
389.53683	2.4
444.04138	2.2
621.26807	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01866	6.7
55.05509	24.2
57.03446	3.7
64.47829	2.5
64.50507	2.0
65.03934	2.5
66.48214	2.3
67.05500	41.7
69.03421	4.5
69.07064	45.3
71.04992	4.5
71.20120	5.7
79.05489	47.2
81.03438	11.7
81.07050	46.7
83.04982	4.7
83.08619	5.5
85.06516	5.7
91.05469	38.6
93.07037	56.0
95.04972	15.5
95.08607	27.5
97.06526	8.2
97.10168	10.8
105.07024	37.0
107.04940	29.0
107.05534	3.0
107.08581	24.9
109.06532	5.8
109.10156	12.7
117.07036	10.9
119.08572	29.3
121.06500	5.3
121.10131	25.1
123.08064	4.4
123.11682	4.3
125.09641	5.0
128.61310	2.6
129.07010	7.7
131.08551	17.5
133.10127	26.9
135.08047	25.4
135.11702	7.6
137.09605	5.4
137.54686	2.4
139.11171	8.8
145.06425	2.7
145.10112	14.0
147.08066	3.5
147.11627	12.4
149.09627	15.4
151.11188	3.0
155.08577	4.5
157.10150	5.9
159.11696	7.8
161.13263	5.2
163.11162	5.1
169.10088	2.7
173.13283	4.0
183.11790	3.3
183.13715	3.4
187.13347	3.1
203.12758	12.7
207.13962	3.4
235.98943	2.3
237.14867	8.2
239.17760	2.5
247.20526	3.5
257.19012	10.0
259.20486	2.9
265.78302	2.4
270.96997	2.5
275.20041	100.0
291.19363	14.3
293.21082	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35461	13.3
55.05487	13.8
65.68188	13.4
67.05486	26.4
69.07056	34.9
70.43134	12.6
71.33217	22.8
79.05488	42.3
81.07046	39.0
83.04957	17.8
85.35145	12.7
91.05486	35.5
93.07070	32.3
95.08568	11.1
105.06997	30.1
107.08604	15.8
119.08617	26.7
133.10187	23.5
135.08067	17.3
257.19238	14.8
275.20053	81.7
293.21127	62.4
307.14426	12.9
394.58054	12.2
561.24652	25.5
621.26862	100.0
644.99445	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28535	2.0
55.01861	6.1
55.05275	3.8
55.05511	52.2
57.03436	3.0
62.95231	2.0
64.08695	2.1
67.05508	22.9
69.03419	10.0
69.07048	11.2
71.58022	2.4
71.58422	3.4
79.05489	17.5
81.03396	2.6
81.07040	15.2
83.04974	3.7
83.08618	32.3
88.31336	2.0
90.37380	2.1
91.05457	5.7
93.07032	8.0
95.08630	2.2
97.10166	85.0
105.07004	3.6
107.08585	24.4
109.10146	6.3
114.24782	2.3
117.07003	3.5
125.09618	82.2
135.08058	8.8
143.10663	3.9
153.09096	24.0
159.89917	2.1
189.11200	48.3
216.77702	2.4
227.12764	100.0
236.41675	2.2
245.13821	7.0
259.73758	2.4
356.68610	2.6
367.14960	2.5
379.20874	7.5
397.22198	55.1
398.88739	2.6
415.23224	62.9
416.23553	3.0
549.30402	10.8
567.31482	25.0
585.32849	21.3
588.91772	2.7
620.44885	3.2
621.26514	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	42.7
69.07053	28.2
69.45530	82.4
69.45964	87.6
72.95104	17.9
77.92512	20.7
79.05470	55.4
80.64301	23.9
81.66563	17.5
83.08582	23.5
91.05473	78.5
93.07032	42.5
95.08613	25.3
97.06549	19.9
100.54811	20.7
105.07021	69.9
107.08596	100.0
109.10149	43.9
117.07033	18.6
124.44876	21.6
125.09689	23.1
149.09619	33.5
192.68698	20.2
205.19339	20.6
213.44482	20.7
275.19971	56.9
280.41791	20.3
282.52811	17.9
341.60825	23.0
488.39758	21.5
527.54480	26.4
602.41772	27.9
620.44000	31.7
621.26300	30.9
621.38849	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42064	2.5
53.03951	12.6
53.39560	2.7
55.01870	19.8
55.05498	10.0
57.03425	8.0
67.05170	4.7
67.05502	51.8
69.03085	3.1
69.03430	42.8
69.07064	13.8
71.04996	15.9
71.19347	4.9
73.02898	6.3
78.56684	2.4
79.05489	34.7
81.03420	38.2
81.07061	49.5
83.04965	3.8
83.08616	7.2
85.02908	19.4
91.05476	19.8
93.07043	41.5
95.04942	3.3
95.08614	40.1
97.02891	39.4
97.06567	2.9
99.04453	70.1
101.02384	5.0
105.07018	16.1
107.08588	24.8
109.02214	4.0
109.02880	37.8
109.10158	22.1
111.04441	8.5
117.07032	7.8
119.08604	15.6
121.10171	22.8
123.11698	12.3
127.03915	100.0
130.35336	2.7
131.08527	7.8
133.10133	11.0
135.11711	10.0
137.13274	5.4
138.22371	2.9
145.05000	16.0
145.10123	9.4
147.08157	3.0
147.11708	5.2
149.13187	7.7
157.10068	3.7
159.11693	3.5
161.13263	4.0
163.14896	2.9
173.13234	6.5
187.14719	3.8
243.21062	5.1
259.20645	6.5
261.22186	18.6
277.21680	6.6
279.23395	4.6
283.01886	4.5
369.24368	6.1
378.32053	4.0
405.26193	8.3
423.27444	25.3
613.62109	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
55.01622	1.7
55.01870	19.5
55.05510	12.1
57.03441	6.9
57.07072	2.3
61.02925	3.0
65.03951	1.3
66.61861	1.0
67.01844	1.5
67.05503	51.2
69.03427	40.7
69.07068	10.5
71.04988	12.3
71.58245	1.8
73.02921	11.0
73.24076	0.9
79.05491	32.9
80.63149	0.9
81.03415	42.4
81.07054	56.7
83.04962	2.6
83.08609	6.2
85.02902	19.8
85.06540	1.6
87.04462	1.2
91.05477	17.5
91.23875	1.1
93.07040	37.2
95.04988	5.6
95.08602	44.9
96.08920	1.2
97.02890	40.0
97.06521	2.0
97.10172	2.4
99.04452	64.3
99.08041	1.1
100.09863	1.2
101.02380	3.4
104.17694	1.1
105.07024	13.1
107.08594	19.1
109.02876	41.1
109.06509	1.6
109.10151	23.0
111.04435	8.1
111.08102	1.1
117.07017	6.6
119.08564	11.2
121.10133	17.4
123.04447	1.0
123.08083	1.2
123.11668	9.2
125.09594	1.5
127.03915	100.0
129.05499	2.3
129.06976	1.4
131.08559	12.7
133.10129	11.3
135.08096	1.3
135.11687	13.2
137.09686	1.1
137.13269	3.3
143.08569	1.8
145.03912	1.7
145.04958	17.0
145.10136	8.6
147.11719	7.8
149.13242	8.2
151.14861	1.8
157.06560	1.4
157.10117	1.7
159.11688	8.4
161.13278	5.8
163.14807	4.2
165.12738	1.9
171.11655	1.6
173.13293	7.4
175.14806	2.4
177.16344	1.5
179.14310	1.1
181.12125	1.5
183.11693	1.2
187.14835	4.2
191.14191	1.2
197.13303	2.1
201.12746	1.3
205.15901	1.1
233.22585	1.3
241.19466	2.2
243.21153	6.2
243.82220	1.2
259.20566	7.0
261.22153	22.0
277.21643	8.0
279.23196	3.2
283.01904	6.5
284.02100	1.5
289.21793	1.3
315.23260	2.0
324.46155	1.1
338.27704	1.6
341.24683	1.4
357.24127	3.0
369.24173	6.1
387.25247	4.2
405.26266	8.3
411.67474	1.2
423.27423	25.5
620.28735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94436	1.3
55.01870	2.7
55.05492	5.4
56.05022	1.4
57.03420	1.9
61.02906	3.4
67.05508	8.9
67.25882	1.4
69.03427	10.4
69.07066	27.2
70.06585	5.9
70.89779	3.4
71.04985	3.2
72.08143	6.7
73.02884	2.4
73.06535	3.0
79.05492	8.5
81.03415	7.1
81.07058	15.7
83.04981	3.2
84.04502	3.6
84.08112	3.3
85.02905	16.0
85.06519	2.2
86.06065	59.9
86.09716	3.3
87.04453	3.1
91.05479	12.2
93.07072	7.2
95.04963	6.1
95.08612	5.0
96.07621	1.5
96.08136	14.2
97.02875	7.2
97.06516	10.9
97.67487	1.4
98.09683	15.4
99.04454	4.3
99.08062	1.8
100.66471	1.5
104.01554	1.4
105.07017	11.7
107.04977	2.8
107.08579	4.4
108.08105	4.5
108.09983	1.3
109.02870	5.4
109.06496	4.1
109.10149	4.8
110.09673	1.6
110.10513	1.3
111.04472	1.7
111.08077	2.0
113.06029	3.1
114.09136	2.7
115.05463	1.3
115.07549	11.2
116.10728	100.0
119.08566	9.8
120.08125	1.9
121.10078	3.5
122.09641	3.1
123.08017	1.6
123.11729	2.6
124.07579	5.6
126.09155	1.7
127.03923	4.5
129.07048	3.2
131.08525	3.4
133.10132	6.5
135.11740	3.2
136.07562	1.9
137.05933	1.9
142.07584	2.0
142.08627	25.9
147.04443	2.2
147.11681	16.2
149.06033	2.1
149.09636	2.6
154.12253	1.6
157.10120	9.6
162.05396	1.6
163.07549	2.2
165.12730	2.0
175.11195	10.7
181.08360	1.9
193.12236	9.8
194.15298	1.6
211.13217	2.5
212.16460	57.2
229.14384	6.6
230.17499	13.4
250.25273	2.1
272.18332	2.1
278.16000	4.4
288.65936	1.6
308.22101	8.3
326.23282	30.5
344.24295	88.0
352.40414	1.4
374.21713	21.1
392.22806	10.0
429.19302	2.0
440.29520	3.5
458.31140	17.1
488.28192	3.3
506.29575	31.8
516.31665	1.8
602.35327	11.6
620.36761	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.1
55.01865	22.1
55.05506	23.1
56.97644	5.9
57.03409	7.3
59.04980	6.6
65.54923	4.6
67.05489	52.6
69.03416	6.1
69.07065	59.9
70.63137	19.8
71.04987	9.4
71.47639	4.8
79.05489	62.5
81.07043	46.0
83.04958	9.5
83.08608	14.6
87.04482	26.4
91.05477	42.4
93.07038	64.8
95.04961	27.9
95.08604	43.6
97.06542	13.0
97.10162	15.6
99.08113	5.7
105.07025	42.8
105.63763	5.0
107.04945	52.0
107.08598	42.8
109.06520	11.8
109.10172	23.0
111.04432	11.1
117.07028	16.8
119.08575	43.8
121.06477	7.6
121.10146	28.8
123.08088	16.3
125.09649	8.0
131.08560	18.4
133.06454	6.5
133.10098	33.9
135.08020	35.2
135.11731	10.3
137.09569	11.5
139.11208	15.7
145.10143	18.5
147.08081	6.0
147.11671	16.0
149.09607	16.3
151.11217	17.0
157.10123	6.7
159.11777	10.9
160.52905	6.0
161.09642	7.0
163.11174	7.9
173.11720	6.8
173.13213	5.7
187.13297	6.0
195.13838	6.7
203.12825	14.0
217.69667	5.9
221.15387	9.8
225.14815	6.8
237.14827	14.4
257.19125	8.3
273.18619	14.4
275.20032	100.0
291.19540	53.6
293.21115	66.9
293.83783	6.2
294.10773	5.8
309.20563	18.1
406.55292	5.5
448.97910	5.7
565.40503	7.0
619.43530	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94436	1.3
55.01870	2.7
55.05492	5.4
56.05022	1.4
57.03420	1.9
61.02906	3.4
67.05508	8.9
67.25882	1.4
69.03427	10.4
69.07066	27.2
70.06585	5.9
70.89779	3.4
71.04985	3.2
72.08143	6.7
73.02884	2.4
73.06535	3.0
79.05492	8.5
81.03415	7.1
81.07058	15.7
83.04981	3.2
84.04502	3.6
84.08112	3.3
85.02905	16.0
85.06519	2.2
86.06065	59.9
86.09716	3.3
87.04453	3.1
91.05479	12.2
93.07072	7.2
95.04963	6.1
95.08612	5.0
96.07621	1.5
96.08136	14.2
97.02875	7.2
97.06516	10.9
97.67487	1.4
98.09683	15.4
99.04454	4.3
99.08062	1.8
100.66471	1.5
104.01554	1.4
105.07017	11.7
107.04977	2.8
107.08579	4.4
108.08105	4.5
108.09983	1.3
109.02870	5.4
109.06496	4.1
109.10149	4.8
110.09673	1.6
110.10513	1.3
111.04472	1.7
111.08077	2.0
113.06029	3.1
114.09136	2.7
115.05463	1.3
115.07549	11.2
116.10728	100.0
119.08566	9.8
120.08125	1.9
121.10078	3.5
122.09641	3.1
123.08017	1.6
123.11729	2.6
124.07579	5.6
126.09155	1.7
127.03923	4.5
129.07048	3.2
131.08525	3.4
133.10132	6.5
135.11740	3.2
136.07562	1.9
137.05933	1.9
142.07584	2.0
142.08627	25.9
147.04443	2.2
147.11681	16.2
149.06033	2.1
149.09636	2.6
154.12253	1.6
157.10120	9.6
162.05396	1.6
163.07549	2.2
165.12730	2.0
175.11195	10.7
181.08360	1.9
193.12236	9.8
194.15298	1.6
211.13217	2.5
212.16460	57.2
229.14384	6.6
230.17499	13.4
250.25273	2.1
272.18332	2.1
278.16000	4.4
288.65936	1.6
308.22101	8.3
326.23282	30.5
344.24295	88.0
352.40414	1.4
374.21713	21.1
392.22806	10.0
429.19302	2.0
440.29520	3.5
458.31140	17.1
488.28192	3.3
506.29575	31.8
516.31665	1.8
602.35327	11.6
620.36761	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	16.9
55.05514	20.3
57.03433	3.3
61.55605	2.9
67.05502	37.6
67.85898	2.7
69.03408	4.0
69.07062	31.5
71.04981	5.6
71.08617	4.0
71.58835	4.9
77.82028	2.7
79.05494	29.2
81.03415	15.6
81.07054	31.0
83.04973	11.6
83.08620	9.5
85.02897	4.9
91.05473	25.6
93.07044	40.0
94.07402	2.9
95.04952	21.7
95.08600	24.6
97.06535	18.9
97.10143	3.3
99.04456	3.9
105.07018	19.2
107.04945	42.3
107.08569	18.1
109.06506	7.6
109.10142	16.5
111.04448	13.5
117.07004	8.2
119.08584	17.7
121.06462	6.1
121.10128	14.9
123.08036	4.1
123.11686	4.1
125.09656	2.9
129.07016	6.0
131.08566	10.0
133.06464	2.9
133.10126	17.8
133.73071	2.6
135.08054	15.2
135.11696	5.1
137.09593	11.8
139.11194	5.2
141.47054	2.5
143.08562	6.1
145.10127	10.0
147.08112	4.3
147.11702	7.6
149.09615	25.3
149.13260	2.9
151.07570	4.0
153.09052	3.6
157.10126	3.9
159.11694	6.8
161.09650	5.8
163.11159	7.6
165.09100	4.5
171.11726	3.5
173.11757	2.8
173.13324	3.4
175.11223	4.4
177.12746	3.1
195.13742	4.9
203.12770	5.3
206.74983	3.0
222.15613	3.6
245.06845	2.6
255.17247	3.2
263.20166	4.5
273.18414	27.1
275.20041	35.2
291.19522	100.0
293.21124	12.6
307.74084	3.0
309.20520	10.1
312.81815	2.7
395.93829	2.9
417.87692	3.0
559.23407	13.4
583.39746	4.5
601.40466	4.0
604.60693	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	13.6
55.05499	16.1
57.03430	5.3
59.62776	3.8
67.05511	33.4
69.03419	8.5
69.07068	24.1
71.58810	5.9
79.05496	30.8
81.03417	14.9
81.06725	3.5
81.07063	35.1
83.04977	15.3
83.08626	22.1
85.06543	7.1
87.48960	4.5
91.05474	30.8
93.07052	44.7
95.04947	11.2
95.08599	34.4
97.06523	24.4
97.10183	7.0
99.04462	7.0
105.07026	29.8
107.04955	45.9
107.08585	28.0
109.10134	15.1
111.04449	8.9
114.84107	4.1
117.07008	11.2
118.29567	4.9
119.08560	25.5
121.06489	6.3
121.10140	18.0
123.08039	9.9
125.09628	13.8
129.06984	5.7
131.08540	17.9
133.10106	18.4
135.08049	12.1
135.11673	9.4
137.09648	8.8
139.11102	5.3
141.07024	4.9
143.08577	9.8
145.10088	14.8
147.08003	5.7
147.11658	10.4
149.09601	28.9
155.10675	5.4
157.10107	12.8
159.11673	10.5
159.15410	4.1
169.10167	4.7
171.11673	8.5
173.13257	5.0
183.11623	6.1
189.12761	4.0
195.11887	3.9
195.13792	8.9
203.12619	4.9
204.29681	4.5
208.54758	4.2
221.15340	9.4
222.15607	4.4
225.14719	4.6
247.63652	4.8
273.18503	18.0
275.20020	13.2
291.19553	100.0
292.19885	5.2
309.20795	8.2
475.27151	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01862	1.7
55.05493	0.8
67.05501	1.5
69.03428	5.3
69.07066	2.6
70.06576	0.7
79.05484	1.5
79.80821	0.7
81.03415	4.5
81.07038	1.1
83.04983	0.9
85.02909	4.1
87.00815	1.9
91.05451	4.0
93.07033	5.8
95.04960	2.2
95.08595	1.6
97.02860	2.1
103.05461	3.6
105.03331	0.8
105.07070	1.6
107.04941	1.1
107.08598	1.6
109.02873	2.1
111.04410	0.8
115.05460	0.8
117.07050	0.8
119.08572	1.1
121.06499	6.8
121.10152	1.1
123.08056	0.8
127.03951	3.4
129.06987	0.7
131.04900	1.9
131.08527	1.0
133.10109	1.5
135.04428	0.7
137.05994	1.4
139.03882	1.0
145.05023	0.8
145.06487	1.7
145.10120	1.6
147.04385	1.1
147.08037	1.4
149.05974	100.0
150.06299	1.0
151.07481	1.8
159.11601	0.8
161.05954	5.8
163.07509	1.5
167.07031	59.8
168.07426	1.5
171.07986	1.0
173.05997	4.6
175.07520	9.3
177.09073	1.3
179.03473	1.3
187.07506	1.5
189.09169	1.1
191.07065	3.1
191.10556	1.0
193.07076	0.7
193.08586	4.9
199.07553	3.0
203.10646	1.0
205.12262	2.5
209.74930	0.7
215.07085	2.2
217.08653	1.4
217.12225	2.7
228.47121	0.8
229.08644	1.5
229.86977	0.9
233.08063	2.4
235.09550	1.5
239.07330	0.9
241.08652	2.6
257.08148	1.1
259.09717	1.3
279.09943	0.9
283.09561	1.7
297.11285	5.2
315.12277	4.6
321.11069	1.7
331.73114	0.8
339.12198	2.6
339.95062	1.0
353.17514	8.2
357.13232	0.9
371.18594	1.7
377.17380	3.5
381.13226	0.8
387.11249	1.2
397.11383	0.9
405.12122	1.2
415.12430	1.3
419.18570	2.1
466.78607	0.8
471.38995	0.8
483.10785	1.4
488.63141	0.7
509.12582	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01852	1.4
61.15989	1.3
67.05506	2.3
68.44805	1.5
69.03421	9.6
70.06584	3.2
71.04998	9.6
71.58356	2.3
79.05486	2.3
81.03421	6.4
81.07059	2.5
83.04975	2.6
85.02900	12.3
85.06522	1.4
89.06030	36.2
91.05480	5.3
94.04181	3.5
95.04959	1.6
95.88704	1.8
97.02892	14.4
97.06466	1.5
99.04453	4.1
103.05497	2.1
105.07024	6.0
109.02879	10.0
109.06493	2.9
115.03963	1.6
115.05464	5.0
117.06995	2.6
119.08592	4.1
122.03645	8.3
127.03915	15.1
128.06207	1.7
128.07059	2.3
129.06989	2.4
131.04945	2.6
131.08537	1.4
132.05704	3.7
133.06520	4.2
133.10107	2.1
137.05974	100.0
138.06310	2.1
145.04956	6.7
145.06462	3.2
146.03615	2.4
147.04390	3.5
147.08064	5.3
149.05975	1.8
155.05000	1.8
159.08064	2.2
160.05191	1.9
161.05972	16.9
163.07533	2.8
165.12686	2.5
167.07083	2.2
171.08102	2.1
175.07541	33.7
181.05002	2.0
187.07565	9.6
189.12701	1.5
190.07826	1.9
191.08545	8.3
191.14322	2.1
199.07481	9.5
202.07822	3.4
203.08557	6.6
208.08803	1.6
209.15410	5.8
212.16484	1.7
218.07275	2.7
219.08028	12.0
220.08917	2.6
231.08110	6.5
236.08429	3.1
247.07605	5.5
248.08293	3.8
249.09117	2.3
251.10710	14.0
259.07590	6.4
260.08374	3.1
263.10754	2.6
264.07709	1.9
265.08618	2.0
276.07779	2.8
277.08731	3.7
279.10123	10.5
291.10199	12.0
292.10907	1.8
294.97540	1.5
311.12787	28.8
323.12741	18.7
335.12921	2.6
353.13708	2.3
419.14786	2.8
489.35599	1.7
592.84491	1.7
619.17596	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01856	2.4
59.44615	0.9
62.06100	1.0
65.03939	1.1
67.05497	1.7
68.99759	1.2
69.03429	7.2
69.49707	1.0
69.92461	5.4
71.04992	1.0
71.96606	0.8
76.87759	0.8
78.04718	1.9
79.05479	6.9
81.03426	5.0
81.07055	2.2
84.08118	0.9
85.02901	9.9
85.06535	1.0
86.06056	1.0
86.29944	0.9
87.00345	1.0
87.00842	2.7
91.05471	5.2
93.07030	1.8
95.04983	2.6
95.08597	1.7
97.02894	2.5
98.06051	1.2
99.04443	1.9
103.05466	2.8
104.95015	1.0
105.01866	1.7
105.07018	7.1
107.04956	11.8
107.08576	1.6
109.02205	0.9
109.02870	5.1
109.06502	1.3
115.05452	5.7
117.06982	1.6
118.04159	1.2
119.08537	2.7
121.06541	1.6
123.04427	4.8
124.05205	3.1
125.05932	1.8
127.03917	8.3
128.06224	3.4
128.07076	2.5
128.21877	0.8
129.06958	5.0
131.04932	4.7
131.08496	1.0
132.05705	2.0
133.06494	4.1
133.10144	1.6
137.05972	2.1
141.06978	1.3
144.05695	1.2
145.04961	2.0
145.06503	1.7
147.04410	1.2
147.08051	3.4
148.05212	1.2
149.05997	1.1
151.03954	1.7
152.04703	1.6
153.05443	2.5
156.05730	1.4
157.06500	1.3
158.11749	1.1
159.02908	2.6
159.08047	6.6
160.05162	1.6
161.05969	10.2
167.07037	100.0
171.08015	1.4
172.05226	1.2
175.07552	24.3
176.04691	1.2
177.05368	1.1
178.07903	1.6
181.06647	1.1
184.05254	1.9
187.07535	17.2
189.07083	1.1
189.09064	3.4
190.07774	2.1
191.07048	11.8
193.08565	1.4
199.07520	9.0
202.07785	1.6
203.08562	3.0
204.09293	1.2
205.10159	1.4
206.07269	1.9
209.08070	1.8
209.15450	0.9
212.16499	2.2
215.08572	3.4
217.08536	2.1
218.07333	3.6
219.08064	2.4
221.09679	3.1
229.06519	2.1
229.08578	1.2
231.08014	3.7
232.08820	2.3
233.09607	3.9
234.06741	2.4
235.07484	3.4
246.06802	3.4
247.07507	2.5
247.31384	0.9
249.09128	6.2
250.09982	0.9
251.07184	1.2
254.17462	1.8
259.07602	1.9
260.08286	2.8
261.09143	5.5
262.06470	1.8
262.09836	1.6
263.07144	2.8
265.08603	1.9
270.17001	1.6
272.18790	1.5
275.07144	1.1
277.08713	4.2
278.09344	2.5
279.10013	1.0
281.11710	7.2
287.05478	1.2
288.08057	1.0
288.18097	2.5
288.82117	0.9
289.08633	6.4
290.09543	2.0
291.06528	1.5
291.09991	2.1
293.11661	2.7
295.09756	1.5
305.08115	1.1
306.08801	1.9
307.09598	2.4
309.11130	6.5
321.11227	12.5
322.11981	1.4
326.11374	2.3
338.11197	1.7
341.13788	27.7
351.12357	1.2
353.13797	26.0
374.21704	3.1
375.21976	2.6
505.28867	1.0
601.27899	2.0
619.28748	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96640	13.3
55.05501	30.3
66.81583	11.9
67.05504	50.1
69.07065	35.3
69.55177	45.8
69.55608	61.7
79.05499	59.5
81.07048	35.6
83.04984	20.3
87.04454	80.3
91.05476	39.4
92.05820	14.6
93.07046	51.9
95.04945	15.0
95.08620	20.9
97.10146	14.9
105.07043	37.1
107.04955	30.1
107.08596	41.1
109.06532	12.1
110.39626	11.6
119.08582	46.2
121.06518	12.6
121.10169	18.6
125.09627	16.7
131.08537	13.4
133.10124	17.0
145.10104	15.7
147.11708	17.7
149.09621	35.6
167.59161	14.0
200.63467	13.5
273.18579	31.6
275.20093	55.1
291.19543	100.0
349.94714	13.6
561.12952	14.6
618.41876	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	37.7
64.87769	19.0
66.06658	18.0
66.46072	21.6
67.05499	100.0
69.07072	27.6
79.05479	41.6
81.07059	96.0
87.04462	41.7
91.05482	81.2
93.07048	79.2
95.04973	38.0
95.08617	31.2
105.07021	42.6
107.08588	37.1
109.10192	46.2
110.26758	20.6
110.96594	19.2
113.06026	52.6
117.07006	25.6
119.08545	36.7
121.10129	38.6
131.08578	31.0
135.08083	26.2
135.11674	19.6
149.06030	38.5
165.11374	17.4
173.11722	29.9
186.14316	22.3
223.22768	18.3
275.19992	24.6
287.16260	25.5
305.17480	99.4
445.63290	20.8
501.70700	28.2
537.37256	20.3
559.15869	23.9
630.47388	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
55.01880	6.4
55.05520	22.5
57.03424	4.5
57.07072	5.7
59.86411	4.3
67.05506	36.2
67.62012	3.9
69.03421	5.3
69.07064	32.0
69.44032	43.3
79.05497	41.3
81.03422	10.1
81.07055	46.3
83.04977	4.6
87.04474	22.8
91.05476	33.8
93.07048	50.8
95.04961	17.5
95.08591	28.5
97.06495	5.4
97.10132	8.4
99.43208	4.6
105.07032	36.0
107.04951	27.0
107.08597	22.3
109.06507	5.8
109.10105	10.7
117.07014	9.3
119.08573	29.1
119.79823	4.2
121.06493	6.7
121.10147	22.5
123.08038	6.4
129.06944	6.1
131.08556	13.3
133.10110	21.6
135.08093	23.9
135.11690	4.8
139.11195	7.3
145.10106	9.0
147.11700	10.5
149.09621	5.7
151.11264	5.5
159.11717	6.1
203.12798	17.0
219.13777	5.3
237.14822	12.3
257.18921	7.2
273.18323	6.5
275.20035	100.0
275.22751	7.8
291.19479	58.8
293.21118	34.5
618.40338	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01854	13.1
55.05311	4.6
55.05513	54.2
56.21682	6.1
57.07071	7.0
60.51947	6.2
67.05508	48.3
68.49748	6.6
69.03413	14.0
69.07061	31.9
70.30235	25.7
71.04984	7.6
79.05495	43.8
81.07053	47.6
83.04963	25.5
83.08624	54.9
85.06533	12.7
91.05480	60.3
93.07035	85.5
95.04967	34.3
95.08608	43.9
97.06523	19.8
103.05396	5.9
105.06391	8.7
105.07030	100.0
106.07349	6.3
107.04931	22.1
107.08603	64.7
109.06499	17.2
109.10155	26.1
111.04402	8.0
113.09617	8.6
115.05428	11.7
117.07008	19.6
119.08569	85.3
121.06490	15.9
121.10130	54.7
122.10421	5.8
123.08045	25.4
123.11727	8.9
123.43382	6.0
124.08482	6.5
125.09594	16.1
128.06235	12.8
129.07002	20.2
130.07773	17.7
131.08591	47.8
132.09264	6.0
133.06471	5.6
133.10136	48.9
135.08012	11.5
135.11661	15.5
136.06215	10.7
137.09593	6.2
139.11118	11.7
141.06996	8.0
142.07739	25.6
143.08563	38.3
144.09302	9.3
145.06552	8.1
145.10103	76.8
147.08041	18.9
147.11699	21.4
149.09587	26.1
151.07556	15.2
151.11191	9.4
155.08551	17.1
155.10646	13.8
156.09348	18.8
157.10136	61.3
158.10699	9.1
159.08049	21.8
159.11630	27.0
160.08810	7.4
161.09616	21.6
161.13266	7.8
163.11153	16.8
163.98593	6.1
165.07022	12.3
165.09096	10.6
167.08501	9.0
167.10690	21.1
168.09360	6.1
169.10124	31.4
170.10872	7.8
171.11716	30.3
173.09680	11.8
173.13173	10.7
175.11136	12.0
175.14821	6.8
179.08543	10.9
181.10086	18.3
181.12177	23.9
182.10866	8.4
183.11697	25.2
184.12331	5.9
185.09683	6.6
185.13260	12.1
187.11122	8.3
187.14758	8.7
191.14301	7.7
193.10075	14.1
195.11667	25.7
196.12364	6.2
197.13278	31.0
198.13887	6.9
199.14763	16.3
203.14369	6.9
206.10696	6.1
207.11745	14.5
207.13805	8.9
209.13182	23.0
209.15105	6.0
211.14787	17.3
213.12639	6.7
213.16412	6.5
215.14325	17.3
221.13293	12.1
221.15182	31.4
222.15822	9.0
223.14848	16.8
225.14812	14.0
227.14346	6.9
233.15320	33.4
235.14824	9.6
245.85953	7.7
247.14677	6.8
249.16490	6.0
255.17436	28.1
259.14563	7.2
260.15665	7.6
261.16318	8.3
263.17947	8.5
270.19653	8.7
275.20316	8.2
276.20279	7.0
281.19031	6.7
286.19171	8.5
287.19754	9.6
291.19678	13.3
292.19785	9.0
299.20099	10.1
365.25214	7.8
383.25305	8.3
499.06653	6.8
499.44003	6.7
600.40820	12.1
618.42169	18.6
619.24268	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32515	0.3
52.70407	0.3
53.03939	0.7
55.05511	1.2
57.03429	0.4
57.46602	0.3
62.06108	0.4
64.99855	0.3
67.04237	0.7
67.05500	0.9
68.04671	0.5
68.05024	5.7
69.03421	1.4
69.83392	1.3
69.83802	0.7
70.06595	0.9
71.04984	0.3
79.05485	0.8
80.05017	2.6
81.03410	1.4
81.07073	0.5
82.06580	21.8
83.04998	0.7
85.02898	1.2
86.06055	0.8
86.09713	0.6
88.59424	0.3
93.07072	0.5
95.08587	0.7
97.02888	1.4
98.21432	0.4
99.04440	0.6
108.04485	2.1
109.02870	2.7
110.06061	1.0
116.10726	0.5
119.08490	0.4
120.08218	0.3
121.02848	0.7
121.06513	0.3
122.06085	0.6
126.05512	1.5
127.03925	2.1
128.07077	100.0
129.07440	0.7
142.08687	0.8
145.04999	0.5
150.05484	0.6
153.01811	1.1
154.85464	0.4
164.10713	0.4
165.01837	0.6
168.06538	1.9
169.05057	0.5
170.08130	2.0
186.07652	1.8
187.06026	1.0
188.09174	8.2
205.06854	0.4
212.16563	1.6
213.05502	0.5
230.10303	1.2
236.09193	0.7
254.10300	2.2
258.59448	0.3
259.05966	0.4
265.11905	0.9
270.16879	0.8
272.11307	1.4
278.10297	1.7
287.05505	18.3
288.18051	0.8
296.11282	1.9
314.12320	7.0
332.13422	16.5
374.21722	1.6
416.25742	0.4
438.28519	0.6
456.29489	0.7
540.69720	0.5
600.26147	0.4
618.18109	5.5
618.26874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	31.4
63.68758	7.7
67.05488	56.4
67.48426	8.0
69.07059	25.3
71.08891	16.1
71.09266	15.0
79.05503	46.0
81.07049	57.1
83.08586	8.9
91.05465	40.3
93.07031	66.1
93.60520	7.4
95.04996	11.0
95.08591	50.1
97.06519	12.8
97.10146	14.4
105.07027	37.1
107.08603	37.5
109.06489	39.3
109.10161	20.3
111.08102	8.4
116.45552	7.0
117.06975	10.3
119.08585	39.4
121.06502	14.0
121.10149	25.8
123.08008	13.5
125.09608	14.7
131.08545	19.9
133.10149	24.9
135.08037	15.9
135.11690	12.4
137.09637	10.9
143.08534	13.5
145.10123	15.7
147.08017	13.9
147.11699	12.8
151.07503	20.8
157.10109	8.6
159.11674	20.3
161.09610	9.0
173.13237	9.2
175.14857	12.3
185.13080	9.3
189.11110	8.3
189.12950	8.2
191.67096	7.8
194.08875	8.4
257.15359	7.9
259.20584	15.3
261.22073	19.1
275.16367	24.7
293.17709	16.1
321.16885	13.9
339.17755	10.8
496.67410	9.1
599.39813	23.3
617.40076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30137	1.2
51.02376	1.1
51.22553	1.1
53.03936	2.7
55.01867	22.6
55.05510	15.3
56.32060	1.4
56.57241	1.2
57.03413	1.9
57.07073	1.6
58.82466	1.0
59.05000	1.2
59.40955	1.1
59.56174	1.4
61.02900	1.1
67.05501	38.2
69.03410	4.8
69.07065	25.7
70.33096	5.8
71.04962	3.7
79.05067	2.3
79.05489	30.2
80.23878	1.1
80.36346	1.4
81.03422	13.8
81.07047	29.0
83.04974	22.3
83.08605	5.7
83.72766	1.4
85.02895	1.4
85.06527	3.0
91.05475	26.4
93.07040	33.1
95.04980	12.5
95.08598	24.6
97.06522	21.6
97.10166	4.4
99.04472	9.5
99.08133	1.5
103.05450	1.5
105.07024	20.6
107.04948	50.2
107.08583	17.1
109.06487	6.7
109.10148	9.0
111.04430	40.2
111.08062	2.5
115.05428	2.0
117.07033	8.7
119.08577	16.1
121.06532	8.9
121.10132	16.0
123.04462	1.8
123.08055	9.4
123.11678	2.0
125.09631	6.7
128.06245	1.5
129.07008	5.7
131.08542	11.9
133.06480	5.3
133.10132	12.7
135.08054	12.9
135.11682	5.0
137.05881	1.6
137.09615	8.4
139.11165	4.5
142.07730	2.7
143.08606	7.0
145.06523	1.6
145.10083	10.5
147.08034	6.9
147.11679	5.6
149.01204	1.8
149.09621	27.9
149.13263	2.5
151.07539	3.4
151.11208	1.7
153.09082	11.5
155.08575	2.6
155.10608	2.7
156.09381	1.4
157.10159	6.0
159.08034	1.8
159.11673	5.0
161.09624	7.7
161.13312	1.2
163.11162	10.4
165.09119	4.5
167.02203	1.6
167.10683	3.0
167.14297	2.1
169.10045	2.8
171.11668	5.1
173.09578	2.6
173.11749	3.4
173.13214	1.3
175.11143	8.7
177.12759	4.6
179.10736	2.9
181.10306	1.3
181.12166	1.8
185.09631	2.0
185.13225	2.8
187.11215	2.7
189.12741	3.6
193.12233	3.4
195.11821	2.1
195.13783	5.9
197.13225	1.8
199.14822	1.9
201.12726	3.4
203.10805	2.5
203.12633	2.1
203.14308	3.5
207.13789	1.9
221.11699	3.7
221.15381	4.4
227.17947	1.5
235.13243	3.8
245.18942	3.4
255.17516	3.1
263.20145	4.6
273.18500	23.8
275.20135	2.5
289.18146	2.0
291.19525	100.0
292.19873	1.4
309.20535	4.9
359.17371	6.2
359.67358	4.3
360.17334	2.0
397.27365	1.7
399.71237	1.3
401.26651	1.8
461.85342	1.2
545.35950	1.6
563.37042	2.7
572.93628	1.2
581.38202	2.4
599.39600	6.6
613.01563	1.4
617.40771	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68643	1.7
53.03947	4.7
54.43525	1.6
55.01870	12.7
55.05506	16.8
57.03424	11.1
59.25883	1.5
65.03931	4.3
67.05183	1.2
67.05500	32.1
69.03446	3.2
69.07070	16.5
71.03839	2.5
71.04984	4.0
74.97603	1.8
79.05484	39.9
81.03412	11.1
81.06586	2.4
81.07051	35.6
83.04982	9.6
83.08616	7.1
84.87245	1.4
85.06544	5.8
91.05471	32.0
93.07038	35.7
95.04961	35.1
95.08597	23.6
97.06533	9.2
97.10165	5.7
99.04447	1.7
99.08044	1.8
105.07022	27.1
107.04945	44.6
107.08586	19.2
109.05789	3.0
109.06509	46.1
109.10130	10.7
111.04448	4.0
111.08088	3.0
113.06000	10.0
115.05485	1.8
117.07005	12.4
119.07806	2.3
119.08587	23.2
121.06513	7.4
121.10126	13.0
123.04286	2.2
123.08071	9.0
125.05998	2.3
125.09595	2.7
128.06224	3.8
129.06938	8.4
131.08562	16.9
133.06433	3.7
133.10121	15.1
135.08051	34.5
135.11705	8.2
137.09595	5.8
139.11232	2.7
142.07841	3.3
143.08568	9.6
143.09538	1.7
145.06534	1.8
145.10104	18.1
147.08018	7.8
147.11693	5.4
149.05945	1.6
149.09616	23.1
149.13272	2.9
151.07545	3.0
153.09116	4.0
155.10626	1.7
157.10130	11.5
159.11659	7.6
161.09612	9.0
161.13251	2.9
163.11180	4.3
165.09129	5.6
167.10696	4.0
169.10147	3.9
171.11723	4.4
173.11739	3.4
173.13213	3.7
175.11232	2.7
177.08868	1.4
177.12817	2.6
179.10744	2.0
183.11690	3.1
185.13319	3.1
187.11200	2.7
189.12700	2.3
191.10718	2.0
195.11787	1.9
195.13782	2.8
197.13213	3.3
199.14877	2.0
201.12856	2.7
203.14217	1.9
207.13736	2.5
217.15811	8.9
221.15367	6.0
225.77106	1.7
227.18021	2.0
233.15292	2.8
235.13185	3.7
241.19421	2.1
255.17363	3.7
259.20523	4.4
263.20200	2.4
265.17953	2.9
269.74872	1.6
273.18491	30.0
274.18716	1.6
275.19989	2.3
286.19290	1.9
286.98901	3.8
287.16330	2.0
289.18011	4.4
291.19519	100.0
292.19971	2.1
298.95914	1.8
307.18909	1.7
321.64722	1.8
377.24677	1.7
380.02673	2.0
437.20273	3.8
581.38306	2.3
599.39569	2.2
617.41852	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25283	4.1
53.03926	4.1
55.01876	9.0
55.05503	28.9
67.05505	43.3
69.03418	8.9
69.07071	27.4
71.08585	4.5
71.32084	3.7
71.58821	5.9
79.05497	55.7
81.03414	14.7
81.07045	33.9
83.04994	10.6
83.08619	12.1
88.83657	4.0
91.05485	45.2
93.07040	57.0
95.04957	18.5
95.08608	29.1
97.06551	12.4
97.10137	6.9
105.07030	44.7
107.04948	100.0
107.08582	50.1
109.06504	10.4
109.10156	31.5
111.08084	6.5
117.07028	16.4
119.08572	40.6
119.17003	4.1
121.06498	9.0
121.10134	43.2
123.08064	12.8
125.09656	9.9
128.06252	6.0
129.07002	11.7
131.08592	21.5
133.06496	5.6
133.10109	22.7
135.08046	30.4
135.11688	10.7
137.09618	11.5
139.11205	7.5
141.07028	4.2
142.07758	8.3
143.08554	14.9
145.06470	6.2
145.10129	27.6
147.08031	17.5
147.11716	7.3
149.05980	4.5
149.09631	37.7
151.07550	14.7
153.78749	4.0
155.08583	5.5
157.10117	19.4
159.08102	6.5
159.11716	17.0
161.09705	8.6
161.13243	6.1
163.11217	8.5
165.09152	7.0
167.10686	27.6
169.10118	10.4
171.11728	8.2
173.09705	4.1
173.11720	12.0
173.13203	9.4
175.11172	10.1
182.06175	4.1
183.11649	9.9
185.13312	6.4
189.12854	7.4
191.14348	5.2
195.11679	5.0
207.13814	4.1
209.13289	5.5
221.15410	15.4
233.15427	11.9
245.19044	7.4
273.18549	21.3
274.33356	4.6
275.20193	7.3
289.18164	8.7
291.19525	83.0
300.20740	4.7
309.93890	4.2
617.41913	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50120	0.7
55.01846	0.7
55.05501	1.7
56.96556	0.9
63.21521	0.7
67.05495	2.7
69.03416	2.5
69.07073	3.5
70.06594	1.0
71.57737	1.5
79.05460	1.7
81.03417	2.2
81.07053	4.4
83.04990	1.0
85.02899	2.4
85.06586	0.7
87.00819	0.7
91.05474	2.5
93.07050	2.9
94.06602	0.8
95.04967	1.8
95.08603	2.8
97.02932	1.0
99.04471	0.7
105.07042	2.7
107.08575	1.6
109.02881	1.7
109.10162	2.0
109.17864	0.7
119.08585	1.9
120.08087	1.4
121.06537	0.9
121.10203	2.0
122.06020	2.0
123.04436	1.0
127.03936	1.7
131.08572	1.0
133.10150	1.7
135.11661	1.0
140.07071	2.9
143.08580	1.2
145.10167	1.4
146.06094	1.1
147.11743	1.0
148.07585	3.7
149.06006	1.2
159.08038	0.9
163.03909	1.9
163.07588	2.9
167.07054	1.0
173.13220	1.2
187.11191	0.8
203.05231	1.9
211.08934	0.8
245.06313	9.9
257.12949	0.8
271.04163	0.9
277.12988	0.9
287.05554	1.2
287.13806	5.0
289.05273	31.9
293.21307	0.9
302.65884	0.8
321.26306	1.7
339.27408	1.1
351.28839	5.6
356.13480	0.8
369.29709	8.9
411.29846	2.3
437.15964	1.7
531.35101	2.2
573.27539	1.6
573.35925	20.8
599.25415	1.1
599.34259	6.6
617.35101	100.0
618.35437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01863	4.8
65.03928	2.7
69.03400	1.1
70.06583	3.2
71.41769	2.8
75.04481	4.8
78.04703	3.3
79.05483	4.3
81.03403	1.4
85.02908	6.5
89.03893	2.0
89.06049	1.5
89.15334	1.2
91.05485	15.5
93.03392	12.7
93.07050	5.7
94.16113	1.2
95.04946	5.6
97.02896	1.8
97.06553	3.0
103.05456	9.8
104.84763	1.0
105.07027	14.1
106.04170	28.3
106.04877	1.9
107.04934	4.1
107.37741	1.0
109.06543	2.5
111.04430	1.3
115.05449	2.6
121.06499	35.8
122.07345	1.4
125.05965	10.0
127.03984	1.3
130.27766	1.2
131.04916	3.4
133.06487	14.7
134.03610	5.5
135.04381	1.6
137.05978	4.2
138.06677	2.0
139.07547	3.5
145.02855	1.7
145.06551	1.1
148.05185	5.2
149.05977	51.3
151.07527	2.0
152.08267	1.4
153.05446	2.7
153.09071	11.7
159.97157	1.1
161.05978	26.4
163.03867	2.1
163.07581	5.0
165.05443	1.8
166.06268	3.0
167.07007	1.7
173.05974	1.4
177.05463	26.8
177.06876	2.4
181.08580	22.2
191.07022	25.9
193.08586	22.5
209.08080	100.0
210.08424	1.8
332.13785	1.2
369.13123	1.1
401.54657	1.1
405.55692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36905	0.1
57.71289	0.1
70.63898	0.4
79.05480	0.4
86.75803	0.1
91.05473	1.2
95.04943	0.2
95.24596	0.1
103.05462	0.3
104.06244	0.3
105.07027	2.9
105.07684	0.2
117.07002	0.2
118.06500	0.3
120.08093	1.0
123.15199	0.1
132.08078	0.9
133.08867	9.2
136.38431	0.1
144.08052	0.1
146.09616	0.3
147.10484	0.1
148.11203	100.0
149.11554	1.6
165.09102	0.2
260.98926	0.1
268.19614	0.1
287.17245	0.1
423.18839	0.1
570.25861	0.9
595.18951	0.1
615.31689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61458	5.8
53.03938	11.0
53.27516	5.1
55.01864	13.4
55.05514	51.8
57.03432	7.0
65.03926	10.6
67.05503	96.0
69.03423	9.1
69.07084	40.9
71.04977	6.0
71.58343	5.0
71.58731	7.5
79.05493	90.4
81.07057	79.9
83.04961	19.0
83.08618	23.5
83.92662	7.4
85.06560	11.1
91.05474	88.4
93.07037	97.4
95.04990	33.4
95.08597	49.6
97.06512	16.1
97.10156	19.8
105.07040	100.0
107.04952	27.7
107.08601	64.9
109.06538	44.2
109.10148	40.9
111.04414	10.3
111.08106	9.0
114.81902	5.5
115.05460	9.9
116.06193	6.5
117.07013	27.0
119.08586	80.0
119.11726	4.9
121.06515	18.3
121.10143	44.0
123.08078	35.0
123.11625	9.9
125.09602	15.0
128.06221	11.0
129.07025	19.2
131.08582	46.2
133.10139	40.9
135.08031	29.8
135.11650	15.3
137.05971	12.0
137.09590	13.9
139.07552	7.4
141.07085	5.9
142.07904	8.2
142.63571	6.7
143.08524	19.5
145.06538	8.1
145.10143	44.0
147.08005	20.0
147.11679	44.1
149.06010	36.1
149.09581	36.0
149.13229	8.6
151.07530	18.0
151.11119	9.1
153.09079	7.6
155.08516	9.8
156.09387	8.6
157.10135	17.2
159.08058	9.6
159.11635	29.0
161.09613	12.8
161.13263	18.2
163.07555	17.7
163.11221	15.1
165.09076	8.0
167.10674	25.0
169.10133	18.7
171.11655	19.8
173.09654	12.9
173.11707	16.5
173.13280	17.5
175.11256	6.6
175.14763	11.7
181.10130	11.7
181.12225	7.7
183.11668	10.0
185.09608	7.1
185.13266	13.1
187.11205	9.6
187.14853	9.8
189.11154	12.7
189.12772	7.9
191.10657	9.8
193.10168	8.2
197.09619	9.8
199.11122	9.8
201.09009	8.8
203.10672	8.1
203.14395	8.1
207.13728	9.4
211.14691	7.4
213.16309	8.4
215.14304	8.3
221.15434	21.8
223.13332	6.3
231.21155	7.7
233.15106	7.7
241.19537	14.8
257.19031	9.9
259.17798	7.6
259.20517	48.5
271.16931	9.3
273.18515	16.6
275.16556	13.4
275.20035	29.1
287.16498	11.8
289.17999	40.6
291.19476	36.6
293.17609	9.9
293.21271	9.4
305.17496	23.5
321.16910	13.6
323.18619	9.5
349.12653	7.9
401.85101	6.6
438.33527	7.2
443.27771	12.8
597.38049	15.7
615.39502	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.1
65.03931	3.8
67.05505	4.1
69.03406	0.8
69.07054	1.9
71.58779	1.6
76.27528	0.8
79.05484	10.8
81.07063	4.6
85.06517	1.2
91.05476	34.4
93.07037	3.8
95.04963	1.5
95.08582	2.7
105.03396	0.9
105.07011	3.7
106.04118	1.2
107.04933	1.7
107.08586	5.5
109.06537	2.4
109.10098	1.0
115.05402	0.9
117.07029	2.5
119.04936	28.5
119.08568	2.7
121.06492	2.1
121.10119	1.5
123.04411	0.9
123.08128	1.1
128.06219	1.1
129.07004	2.1
131.08559	2.6
133.06477	1.8
133.10133	2.1
135.08060	1.7
137.05959	6.6
142.07764	0.9
143.08476	1.3
144.29927	0.8
145.06458	2.0
145.10094	2.4
147.04358	1.9
147.08031	1.0
147.11757	1.0
149.05977	100.0
151.07533	9.0
155.08533	0.9
159.08025	1.0
161.05986	2.9
163.07515	3.0
163.10989	1.1
169.10146	1.3
171.08052	1.9
172.95193	2.0
173.05986	3.2
173.09698	1.5
175.07532	6.1
177.09145	2.0
179.08571	0.9
183.08075	1.0
183.11613	1.3
187.07538	16.2
187.11133	1.0
189.09044	1.1
190.96152	1.0
199.07510	2.5
201.09081	1.7
203.10658	2.6
205.12231	53.4
209.09668	1.0
211.07562	1.1
212.08261	1.0
213.09125	2.0
215.10681	1.3
223.07550	1.8
224.08501	0.9
225.09093	1.3
231.13750	4.0
237.08986	1.4
251.10635	1.7
263.10831	1.0
267.10495	0.8
267.30530	0.8
315.15897	1.3
341.17331	1.2
343.19019	1.8
344.63104	0.9
353.17444	1.2
396.19260	1.4
409.23764	17.7
421.23730	2.4
423.17905	1.8
424.18512	1.3
439.21188	1.8
451.17072	1.2
463.21408	1.8
466.20001	1.4
491.24271	2.5
525.24512	1.9
545.28790	2.2
553.24451	8.1
557.28967	25.5
595.26135	1.2
613.26123	30.9
613.35297	12.6
614.26337	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.7
57.03432	1.8
67.05502	6.6
69.03411	2.3
69.07065	3.9
69.85563	11.2
79.05500	17.5
81.07056	9.4
91.05479	23.5
93.07039	7.9
94.04162	1.9
95.04970	4.6
95.08598	5.8
103.05432	3.4
105.07015	11.0
107.04958	6.7
107.08595	9.4
109.06511	7.3
109.10176	3.7
114.40191	2.1
115.05451	2.0
117.07048	5.2
119.04939	16.4
119.08585	5.3
121.06529	1.7
121.10177	4.7
129.06961	1.7
129.59268	1.8
131.08575	4.3
133.10139	3.3
135.08049	5.5
137.05989	34.7
143.08484	2.4
145.06473	2.2
145.10133	4.0
147.08047	3.1
148.05147	2.2
149.05980	51.1
149.09621	2.9
151.07527	5.6
157.10083	2.8
161.05991	5.7
163.07559	39.2
165.06966	2.4
165.82401	1.8
167.08580	2.3
171.08008	2.9
173.06036	2.2
175.07545	4.0
177.09123	2.5
181.10146	3.0
183.11649	2.5
187.07555	8.2
189.09038	2.2
199.07590	3.0
201.09169	2.0
203.10641	2.5
205.12228	24.7
211.07600	3.7
221.15295	2.5
223.07417	2.7
231.13864	2.8
235.07440	1.8
249.09074	1.9
269.84375	1.9
275.20099	2.5
277.12222	2.5
314.15643	1.9
361.21704	2.9
395.18634	2.7
396.19284	3.8
407.22296	6.8
409.23972	13.1
423.17911	3.6
438.20422	2.3
439.21194	4.6
451.17294	2.9
463.28189	6.1
466.19974	5.4
467.20602	2.8
519.27808	3.4
525.25018	8.8
547.29742	2.1
553.24219	17.7
557.28900	18.4
595.25818	4.4
595.35199	3.3
613.26190	100.0
613.35333	43.5
614.26300	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08044	2.9
51.68279	3.1
53.03954	5.2
54.23535	2.9
55.05506	28.7
57.03440	9.6
57.07079	4.8
67.05504	69.2
69.07065	24.8
69.55463	2.7
69.80039	20.3
71.05029	3.4
79.05489	49.4
81.07056	63.7
82.16852	3.0
83.08637	10.4
91.05479	42.6
93.07040	52.0
95.04956	5.4
95.08596	49.1
95.09151	3.4
97.06561	4.6
97.10210	3.4
98.20742	5.1
105.07034	47.5
107.07944	5.7
107.08583	32.9
109.10152	20.2
117.07015	16.8
119.08578	39.3
121.10146	20.4
123.11771	8.1
129.07018	13.8
130.35849	2.6
131.08571	37.6
131.09390	3.8
133.10130	29.0
135.10815	2.7
135.11664	14.3
141.07039	4.6
143.08530	19.8
145.10127	32.9
145.52382	3.2
147.11690	24.1
149.13342	8.8
155.08572	8.6
157.10078	19.3
159.11687	24.0
161.13260	15.6
163.14819	5.8
169.10208	10.5
171.11716	16.4
173.13315	16.5
175.14893	7.2
177.16463	3.8
181.10153	4.5
183.11807	10.9
185.13338	11.9
187.14911	9.2
195.11789	6.7
197.13316	6.9
199.14896	7.2
201.16487	5.6
209.13374	2.9
211.14806	4.2
211.96391	2.8
223.14867	2.9
225.16615	3.8
237.44701	2.8
239.18088	3.8
241.19695	10.0
259.20490	17.8
267.21426	3.6
333.24503	9.8
335.25806	20.8
367.96304	3.3
372.79297	3.5
519.42029	6.8
537.43201	5.9
593.45508	6.8
611.47003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.2
56.96556	1.6
58.99861	2.7
67.05487	3.9
67.72797	1.1
69.07054	3.6
73.33664	0.9
77.00906	13.3
79.05489	6.5
81.03399	1.0
81.07043	4.4
83.08620	1.0
86.55139	0.9
91.05459	5.0
93.07040	5.4
95.01364	1.6
95.01940	15.3
95.08585	3.6
97.06449	0.8
97.10178	1.6
100.02482	1.3
105.07017	3.3
107.08592	3.7
107.77430	0.9
109.10146	2.7
111.01928	0.9
111.25786	0.9
115.76479	0.9
118.03532	1.1
119.08573	3.9
121.10106	1.7
131.01904	9.9
131.08546	3.4
133.10106	3.1
135.11642	1.4
136.06198	1.0
145.10127	2.7
147.11722	1.5
149.02934	8.9
157.10123	1.3
159.11731	2.0
167.82968	1.3
173.06587	1.3
187.08162	2.0
191.07532	1.5
200.52263	1.1
201.09639	1.3
201.11307	1.0
205.09227	2.6
215.11221	5.1
219.08725	1.4
219.10695	2.3
227.11353	1.5
229.12848	1.8
231.12355	1.0
233.12288	1.9
240.18085	1.0
241.12749	1.3
247.11780	3.5
259.13174	1.3
261.13272	1.4
267.14273	1.8
275.14783	1.4
287.05569	1.8
289.16559	1.8
297.16953	2.4
299.18530	57.3
300.18790	2.0
301.20172	2.9
313.16364	2.2
315.18073	20.4
317.19611	100.0
318.19797	3.8
319.21158	3.5
333.16989	1.9
334.17664	4.7
335.14087	1.5
335.20755	39.7
336.20792	2.0
338.19565	1.7
340.21231	19.7
353.21921	2.2
358.22357	3.4
505.31870	1.9
575.39166	4.0
611.33044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.3
71.58477	1.2
77.88914	0.8
79.05495	1.4
81.07071	1.0
91.05451	1.1
103.20470	0.9
139.75154	0.8
142.23726	1.0
227.83591	0.9
287.05414	1.4
314.16299	1.0
390.18524	1.1
391.19260	1.2
393.20786	2.3
405.16852	1.9
407.22363	3.8
418.17880	1.7
419.18674	4.0
421.20251	2.4
423.21936	1.7
433.20032	9.8
434.21017	1.6
435.17688	2.9
435.21942	3.2
437.23398	4.0
447.21902	1.5
448.23666	1.3
449.19897	4.1
450.20087	2.1
451.21194	3.0
463.21146	2.3
464.21866	8.9
465.22903	6.8
477.22858	1.6
509.21884	2.1
521.25482	4.7
551.26440	21.3
611.28589	100.0
612.28979	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.6
54.30249	3.0
55.01871	4.3
55.05512	10.8
57.03445	3.8
57.07076	3.4
57.91718	2.8
65.03947	2.9
67.05493	22.9
68.20193	2.8
69.03436	10.8
69.07066	51.9
70.06591	7.3
71.04976	9.5
71.57486	3.2
71.57898	4.5
76.89645	2.9
79.05497	13.2
81.03414	11.0
81.07056	49.1
82.32964	2.6
83.04975	3.3
83.08593	7.9
85.02908	15.6
85.06548	11.4
86.09742	2.9
87.00819	4.8
91.05474	9.3
93.07038	21.2
95.04982	10.0
95.08605	44.0
97.02923	6.8
97.06537	33.0
97.10165	8.4
99.04447	5.1
99.08096	8.0
105.01871	3.8
105.07016	13.3
107.04958	4.4
107.08575	21.1
109.02888	5.4
109.10154	43.5
111.04445	4.0
111.08072	9.5
111.11725	11.7
119.04929	4.6
119.08605	6.1
121.06519	5.7
121.10139	13.6
123.11721	24.1
127.03947	9.1
133.10112	5.7
135.11703	12.7
137.02373	4.5
137.05923	6.6
137.13235	5.3
145.10226	3.6
147.04393	7.0
147.11714	6.1
149.06046	4.5
149.13266	25.1
151.07542	5.3
153.01872	5.1
153.05553	2.8
159.02989	2.8
159.11641	3.9
161.06030	4.1
163.03932	10.5
163.07584	4.1
163.14827	5.0
165.05551	3.1
167.07048	14.2
173.05991	4.7
175.07475	4.3
177.05345	3.2
181.05009	6.5
189.09006	4.1
193.99797	3.0
205.19554	15.0
213.09082	8.3
223.20569	100.0
223.22743	5.7
232.14984	2.9
262.33414	3.0
287.05536	17.8
291.26825	8.8
303.04889	23.1
309.27838	7.0
342.98206	2.9
345.30136	3.1
363.11975	8.5
567.18347	7.8
611.16425	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01369	0.6
53.03925	1.1
54.46581	0.7
55.01854	1.3
55.05518	4.3
62.66460	0.7
65.03916	0.8
65.61769	0.6
67.01837	1.2
67.05502	9.8
68.99798	3.3
69.03399	2.0
69.07070	20.9
69.91321	1.5
69.91736	3.5
71.04958	1.0
71.34589	0.6
79.05492	4.3
81.03382	1.6
81.07066	4.9
83.04941	1.0
83.08604	1.1
85.02876	1.6
91.05457	4.5
93.07037	4.8
94.12997	0.7
95.04935	2.7
95.08598	4.6
97.06500	1.5
97.10140	2.0
103.05446	1.0
105.03372	0.8
105.06987	2.2
107.04923	2.0
107.08563	2.1
109.02861	1.6
109.06489	1.4
109.10165	3.7
111.00790	3.2
117.06995	1.8
119.04900	1.0
119.08545	2.7
121.10081	2.1
123.04425	1.2
123.08068	1.2
125.09625	1.3
127.03921	0.7
129.06941	0.8
129.16277	0.7
131.04900	1.5
133.10059	0.7
135.11710	1.2
137.02293	2.8
137.06000	0.8
137.09584	2.6
139.03889	1.6
141.06908	0.7
143.04915	0.8
145.02847	1.2
145.06450	1.1
145.10110	1.3
147.04396	4.5
149.05910	1.0
153.01826	61.2
155.08536	1.0
157.06459	1.1
161.02353	6.1
161.05984	1.5
161.09604	0.8
163.04024	0.7
163.07513	2.1
165.01833	6.8
165.07042	0.8
165.09119	1.1
167.06958	1.0
167.08565	1.0
171.02892	0.7
171.04419	1.7
171.08113	0.6
173.02328	1.9
173.05948	2.0
173.11754	1.4
174.02693	0.7
175.03848	2.2
175.07545	1.2
179.03444	1.0
181.10103	1.0
183.02852	1.9
185.05893	2.8
187.03909	4.1
187.07492	1.3
189.05457	1.9
189.09106	0.8
191.06970	0.9
195.08128	1.2
197.05997	1.6
199.03821	2.3
199.07684	0.8
201.05469	1.9
201.09117	0.8
203.03375	3.2
209.05888	1.2
210.06827	1.0
211.03775	0.7
211.07562	1.5
213.05460	2.4
213.09016	1.5
215.03389	1.7
215.78749	0.6
217.04903	1.6
225.05405	1.6
225.09094	1.0
227.03349	2.9
227.06903	1.6
227.10579	1.2
229.04947	1.7
237.05440	1.9
239.03516	1.1
239.06917	0.7
239.10675	0.9
241.04987	2.8
241.08490	1.3
242.05855	1.0
243.06371	1.4
245.04306	1.6
253.04932	5.9
255.06540	2.3
255.10117	1.9
257.04330	1.0
257.11740	1.1
259.05914	1.0
265.04953	2.2
267.06540	1.8
269.04425	4.2
269.08002	2.1
270.05228	2.0
271.05997	2.6
273.03925	1.2
279.06577	1.6
281.04422	4.5
282.05136	1.1
283.06009	3.4
283.09579	2.0
285.03946	3.0
287.05521	5.1
289.04996	0.7
295.05972	1.5
297.03888	2.4
298.04730	7.3
299.05585	3.3
301.03333	1.2
303.04852	3.9
307.05740	1.3
309.04001	1.4
311.05539	7.8
313.03452	14.4
315.04907	4.5
319.05905	0.8
320.06741	1.3
323.05426	2.5
325.03412	4.3
325.06927	1.1
326.04193	8.6
327.04987	100.0
328.05341	1.8
329.06726	0.9
333.07230	0.9
334.04724	0.9
335.05609	1.2
335.12711	0.8
337.07126	1.3
339.04996	16.7
340.05707	2.1
341.06558	4.8
349.07004	1.7
349.10782	2.3
353.06430	5.7
356.07190	0.7
365.06665	1.2
367.12015	1.4
377.10327	1.2
381.09695	7.3
383.11047	0.8
391.11917	1.1
395.11264	95.6
396.11810	0.9
405.13257	1.0
407.11536	1.1
409.12759	3.5
411.14304	0.9
421.12775	2.1
423.14401	2.1
437.12152	1.4
439.14026	1.0
463.13718	0.9
505.15189	4.7
507.16812	1.1
523.16077	10.9
543.09058	1.1
555.09131	2.2
557.21753	3.2
575.22754	14.3
593.23767	44.7
611.24475	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03934	0.5
55.01862	0.3
56.95427	0.1
57.03416	0.6
61.02906	0.8
68.99786	0.3
69.03423	2.1
69.63052	1.1
71.04967	0.4
73.02894	0.2
81.03407	1.0
83.01332	0.2
83.93186	0.2
85.02901	6.2
87.04446	0.2
91.03939	0.3
97.02885	1.9
99.04427	0.5
103.87520	0.2
105.03363	0.3
107.04941	0.4
109.02880	0.9
111.00794	0.6
111.39420	0.2
116.85468	0.2
121.02854	2.1
127.03915	1.3
133.02806	0.3
133.24792	0.2
137.02342	0.5
145.04935	0.9
145.06308	0.2
147.04416	0.5
153.01820	2.8
157.06441	0.3
161.05983	0.2
163.03967	0.2
165.01836	1.5
183.02963	0.8
185.06018	0.4
213.00026	0.3
213.05443	1.0
231.06488	0.8
237.02798	0.2
241.04944	0.7
258.05188	0.9
259.05923	0.5
287.05481	100.0
288.05844	1.7
303.04880	0.2
449.10776	4.4
450.11261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
55.01877	2.3
55.05509	3.6
55.69059	1.2
55.75258	1.3
56.32331	1.3
57.03421	2.5
60.33801	1.6
66.59884	1.3
67.05505	8.1
68.99786	1.5
69.03419	2.1
69.05041	1.4
69.07064	2.6
71.04992	12.9
71.58371	2.8
79.05496	4.3
81.03414	2.2
81.07063	5.1
85.02906	13.7
91.05474	2.6
93.07025	4.0
95.04950	2.7
95.08604	5.1
105.07019	2.8
107.04974	2.2
107.08603	2.6
109.06486	1.7
109.10134	3.2
119.08556	1.5
121.02898	1.9
121.06541	1.6
125.09563	1.6
129.05481	3.6
133.10135	1.5
137.02339	4.6
147.04439	1.5
153.01863	5.9
165.01857	2.8
173.11790	1.7
179.03406	1.8
186.40753	1.3
189.05330	1.6
201.05516	2.0
229.04922	5.3
243.80327	1.4
257.04507	3.4
273.03687	2.2
285.04025	2.1
287.05533	10.1
302.04135	4.2
303.04999	100.0
327.04984	4.5
339.05038	1.9
351.25516	1.6
421.12830	3.5
437.12122	1.8
490.15927	1.6
575.22437	3.3
593.23578	12.1
611.24744	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
51.16988	0.8
55.05539	0.8
57.03422	2.7
60.34501	0.7
68.99794	0.8
69.03452	0.8
70.05376	2.3
70.05796	1.6
71.04609	0.8
71.04992	12.5
85.02905	15.3
88.03771	0.7
88.09204	0.7
97.02885	1.2
125.18024	0.7
127.03934	1.2
129.05463	3.0
137.02332	2.1
145.04953	1.2
153.01762	3.8
158.54979	0.8
158.79611	0.7
164.11436	0.7
165.01859	2.0
173.05905	0.9
201.05482	1.6
229.04843	4.4
257.04523	2.6
285.03873	1.6
287.05615	1.2
303.04990	100.0
304.05328	4.0
313.20728	0.7
351.19101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01857	0.4
55.05490	0.3
57.03435	2.4
61.02929	0.6
65.03921	0.3
67.01878	0.2
67.05495	0.2
68.99786	0.6
69.03425	1.4
69.46348	1.3
69.56836	0.1
71.04990	13.2
73.02908	0.5
75.04462	0.5
79.05462	0.3
81.03406	1.0
83.04982	0.7
85.02900	16.6
87.04454	0.4
91.03960	0.2
93.07014	0.2
95.04922	0.3
97.02877	1.5
99.04455	0.4
107.04985	0.1
107.73832	0.1
109.02872	0.6
111.00809	0.9
111.04414	0.4
117.79677	0.1
121.02860	0.8
123.04465	0.2
127.03910	1.2
129.04501	0.2
129.05469	3.8
135.04393	0.2
137.02332	3.0
137.03395	0.2
145.04958	0.7
145.06488	0.2
147.06534	0.8
149.02298	0.4
153.01823	3.6
159.04381	0.2
161.05946	0.3
163.03899	0.8
163.11232	0.3
164.11676	0.2
165.01830	1.8
166.02562	0.4
173.06001	0.5
174.03343	0.1
177.05371	0.1
178.35425	0.1
180.37227	0.2
183.02895	0.7
183.04388	0.3
187.03906	0.3
195.02957	0.2
201.05429	1.5
213.05354	0.2
215.03368	0.2
219.02916	0.2
219.06546	0.3
228.04079	0.2
229.04956	4.3
230.57146	0.2
247.06044	0.5
257.04407	2.7
263.74551	0.1
274.04752	0.9
275.05508	0.2
285.03970	1.4
287.05557	1.9
303.04968	100.0
304.05292	2.5
315.04889	0.2
345.06018	0.4
446.75970	0.1
465.10449	0.4
561.39178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Kaempferol 3-O-beta-D-glucosylgalactoside
Peak:m/z	Relative Intensity
52.04229	0.8
55.65793	0.8
57.03425	1.5
61.02913	1.7
69.03421	5.4
69.40372	6.4
69.40798	1.9
70.06585	1.4
71.04989	9.5
73.02909	1.1
78.20154	0.8
81.03425	2.0
84.08144	1.0
85.02901	21.3
85.12625	0.8
91.03931	1.1
91.05424	1.1
97.02875	4.2
105.07107	0.9
109.02867	1.8
111.00785	1.6
121.02868	3.9
123.04488	0.8
127.03868	2.5
129.05446	1.3
135.04370	1.3
137.02324	2.5
145.04997	2.1
147.04370	1.1
147.06456	0.9
153.01836	6.5
165.01807	2.1
183.02835	1.2
213.05444	0.8
229.04947	2.6
239.84935	0.8
257.04477	2.5
258.05240	1.4
280.56256	1.0
287.05484	100.0
288.05835	3.4
299.05350	1.5
303.04977	66.5
304.05338	1.8
329.06509	1.1
413.08655	1.4
431.09442	1.1
449.10809	11.1
521.75226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94299	0.2
68.99791	0.2
69.03414	0.3
71.04447	0.2
71.05014	0.2
85.02878	0.8
105.15662	0.2
107.04271	0.3
107.04945	2.6
129.55118	0.2
135.04405	6.1
137.02339	0.3
153.01822	19.4
154.02277	0.2
155.27319	0.2
179.03522	0.2
211.29364	0.2
245.04425	0.4
287.05484	100.0
288.05878	1.7
303.05005	1.6
324.62097	0.2
449.10773	17.0
450.11057	0.4
611.15930	0.7
626.12732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03923	0.6
55.47013	0.3
57.03419	0.3
61.02909	1.2
69.03426	2.1
70.06568	0.3
71.04986	0.3
71.13861	0.3
81.03407	1.2
82.48903	0.4
85.02431	0.5
85.02899	5.7
91.03915	0.4
97.02892	2.1
100.43141	0.3
107.04915	0.6
107.68638	0.3
109.02888	0.6
111.00834	0.4
121.02865	2.4
127.03887	1.1
137.02332	0.7
145.04959	0.6
147.04347	0.8
150.82834	0.3
153.01842	3.4
154.79100	0.3
157.06421	0.5
159.98091	0.3
163.55951	0.3
165.01837	1.3
183.02858	0.9
213.05472	1.4
229.71915	0.4
231.06549	0.6
241.04993	0.7
258.05215	1.0
259.05896	0.4
269.07996	0.3
287.05490	100.0
288.05801	2.7
316.64258	0.3
354.68726	0.4
358.70016	0.4
449.10751	4.8
488.14853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08976	0.1
52.61148	0.2
53.03931	0.2
55.01863	0.3
57.03421	0.5
61.02903	0.6
62.11275	0.2
68.99792	0.4
69.03423	1.6
69.82661	1.0
70.06569	0.2
71.04983	0.3
73.02895	0.2
81.03397	0.7
85.02905	4.4
87.04465	0.2
91.03941	0.2
97.02876	1.5
98.21500	0.2
99.04428	0.3
105.03413	0.2
107.04956	4.1
107.05698	0.2
108.05282	0.9
109.02852	0.5
111.00787	0.6
117.89408	0.1
121.02877	2.2
125.09679	0.1
127.03883	0.9
132.32108	0.1
133.02847	0.5
135.04405	1.5
137.02307	0.8
145.04927	0.8
145.06290	0.2
147.04385	0.4
153.01822	7.2
157.06522	0.2
165.01851	1.1
183.02881	0.5
185.05965	0.3
213.05486	0.9
231.06552	0.4
241.04964	0.7
243.06653	0.2
258.05298	0.7
259.05792	0.3
269.04474	0.2
287.05487	100.0
288.05838	2.5
303.05011	0.5
317.33963	0.2
319.75214	0.2
449.10776	8.4
450.11166	0.3
611.15692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07171	1.4
52.37627	1.4
53.49255	1.6
55.01865	2.5
55.05488	2.7
55.25547	1.7
57.03426	3.6
61.02896	2.6
64.93053	1.7
65.03903	1.9
67.05488	4.7
69.03416	6.2
69.07066	10.2
70.06591	3.4
71.04084	3.7
71.04996	10.1
79.05501	13.5
81.03399	2.4
81.07056	8.9
83.04992	18.5
85.02903	21.7
86.31978	1.5
91.05447	9.2
93.07047	14.8
95.04964	9.4
95.08596	7.1
97.02892	6.4
97.06519	16.4
99.04443	4.5
105.07027	25.8
107.04947	12.1
107.08574	16.1
109.02906	2.8
109.06522	5.2
117.07024	3.9
119.04927	4.1
119.08554	6.5
121.02868	2.1
121.06504	20.8
121.10114	2.3
125.05976	30.0
127.03918	3.9
129.05475	3.1
129.28516	1.7
130.07771	2.9
131.08571	4.8
133.06480	5.9
135.04390	2.8
135.08040	4.7
135.11664	9.5
137.02357	2.9
137.05937	3.9
139.07570	5.3
143.05983	1.5
143.07028	30.6
143.08574	3.6
144.09270	2.8
145.06480	3.7
145.10118	48.7
147.11661	6.1
151.07523	5.7
153.01813	3.5
154.07657	1.7
158.07233	2.0
159.08096	5.2
159.11664	13.3
163.03932	1.9
163.11180	100.0
169.10139	5.7
171.11682	2.9
173.09630	35.5
177.12714	4.7
181.12183	4.5
187.11192	23.0
189.12747	4.2
191.10648	21.6
197.09616	5.7
201.05396	2.1
205.12253	23.0
209.11803	4.8
215.10645	22.9
227.12799	4.1
229.04965	3.4
233.11713	72.6
251.12758	31.9
269.13815	24.2
287.05533	6.5
303.04968	75.8
418.60995	2.3
429.79764	1.8
456.33334	2.1
605.63873	2.0
606.77972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65768	2.3
53.03960	2.9
55.01867	3.9
55.05515	4.4
57.03424	4.1
61.02910	2.8
67.05511	7.8
69.03423	16.4
69.07063	13.8
70.06583	7.1
70.50556	9.7
70.50914	4.2
71.04993	12.7
79.05508	15.5
81.03408	9.4
81.07045	16.0
83.04984	19.1
85.02905	40.5
85.06551	5.6
87.04459	3.7
91.05477	12.0
93.07061	17.6
95.04968	12.2
95.08604	7.7
97.02893	11.4
97.06514	20.7
99.04441	9.7
105.07036	34.7
107.04945	8.6
107.08605	17.3
109.02895	5.2
109.06521	11.1
109.10179	3.7
115.03953	3.1
117.07019	5.1
119.04943	7.6
119.08583	10.9
121.02882	4.4
121.06535	14.6
121.10174	5.4
123.08108	3.7
125.06017	21.9
127.03934	9.2
131.08586	9.0
133.06485	3.9
133.10135	5.6
135.11664	4.3
137.02371	4.9
137.06015	6.3
139.07571	7.9
143.07040	26.6
143.08185	3.3
144.09384	3.6
145.04973	4.5
145.06519	5.5
145.10121	47.0
147.11693	5.3
148.00041	2.7
151.07497	3.8
153.01846	8.3
157.08604	6.4
157.10060	2.8
159.11678	10.0
163.11188	69.2
169.10139	6.1
173.09583	28.1
177.12796	11.3
183.80226	2.9
187.11191	27.6
191.10690	15.0
197.09726	5.4
205.12274	33.4
209.11771	4.9
213.05531	4.1
215.10670	36.6
223.13261	4.9
233.11697	58.2
233.13803	4.7
251.12743	33.1
257.04544	3.9
269.13834	40.2
286.23868	4.0
287.05493	100.0
292.73849	3.0
303.04971	52.6
367.51068	2.9
385.91812	3.1
426.43060	3.3
433.29044	2.9
442.35690	3.5
442.62643	3.1
610.37518	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01852	4.5
55.05499	9.3
57.03434	11.9
60.04514	4.3
61.02923	6.6
61.64175	3.7
63.18507	3.8
67.05503	25.6
69.03421	27.1
69.07054	16.4
69.97644	24.6
70.06583	12.7
71.04976	9.8
79.05482	29.0
81.03427	16.7
81.07042	19.1
83.04967	35.9
85.02901	50.7
85.06531	8.1
85.53128	4.3
86.09706	5.3
86.79495	5.1
91.05485	19.0
93.07052	24.4
95.04953	17.2
95.08598	15.9
96.08125	5.5
97.02880	22.1
97.06525	43.4
98.06056	4.9
99.04442	12.8
105.07018	33.0
107.04935	17.0
107.08597	26.9
109.02873	16.1
109.06532	14.7
109.10143	8.6
117.07011	13.8
119.04930	11.2
119.08585	9.6
121.02845	7.6
121.06509	27.6
121.10091	6.3
123.04478	5.4
125.05997	29.5
127.03912	15.7
129.05444	4.6
131.08575	14.2
133.06448	6.2
133.10138	7.6
135.11656	6.5
136.07524	8.2
137.02319	8.3
137.05954	5.6
143.07036	36.7
145.04927	5.9
145.06505	6.4
145.10098	59.9
145.11143	6.1
146.08124	7.1
147.11723	6.0
151.07555	9.5
153.01758	6.7
157.08572	6.1
159.08049	6.3
159.11685	19.1
161.13258	4.7
163.03859	6.1
163.07547	6.4
163.11168	100.0
167.06998	7.4
173.09636	45.7
177.12813	7.5
187.11197	42.1
189.12712	6.3
191.10654	20.4
197.09563	7.5
205.12216	40.1
212.16327	4.9
215.10634	40.1
223.13220	5.9
233.11699	81.0
251.12750	45.1
252.23048	7.4
269.13855	54.7
280.26404	8.8
287.05493	98.8
298.27335	5.7
299.45102	5.2
301.54523	4.5
303.04935	40.9
316.28461	13.5
316.93063	4.7
362.25015	8.5
398.12485	5.0
444.23376	5.2
610.38800	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01867	2.3
55.05509	3.6
55.77254	2.1
57.03432	2.6
59.90644	1.6
65.03954	1.8
67.05495	7.0
69.03430	6.2
69.07069	7.9
71.04986	11.0
71.13482	3.9
79.05489	16.8
81.07043	6.6
83.04971	15.2
85.02914	22.9
86.10715	1.6
90.98370	2.0
91.05431	9.9
93.07038	15.9
95.04951	7.9
95.08604	7.7
97.02872	6.0
97.06528	18.4
99.04448	7.0
105.07027	27.5
107.04955	12.8
107.08578	10.0
109.02859	2.8
109.06536	6.3
109.10173	1.9
117.07007	7.5
119.04912	3.6
119.08577	7.3
121.06516	18.2
121.10139	4.2
125.05994	28.8
127.03919	4.0
129.05426	3.8
130.07780	2.3
131.08586	7.0
133.06511	6.0
135.08029	4.2
135.11708	6.4
137.06015	3.1
139.07527	4.6
143.07024	27.1
143.08199	3.0
143.08588	3.7
145.04955	4.5
145.06471	5.1
145.10118	40.7
147.08086	2.5
147.11674	7.6
151.07530	6.5
153.01820	4.1
158.07199	2.6
158.09840	1.8
159.08093	2.6
159.11699	16.6
161.09688	1.9
163.11176	100.0
169.10127	3.4
169.29913	2.0
171.11563	2.3
172.08759	2.1
173.09619	38.2
177.12720	4.4
179.08542	2.8
181.12212	6.0
183.51830	1.9
183.68367	1.8
187.11220	23.9
189.12737	5.1
191.10670	24.0
197.09657	5.1
205.12248	22.3
209.11768	3.2
215.10670	22.4
227.12785	5.3
229.04936	3.0
233.11719	83.1
251.10365	3.5
251.12759	31.1
257.04489	2.6
269.13861	23.7
287.05603	4.2
303.05002	87.2
307.76608	2.3
353.14697	2.0
382.65329	1.7
451.20639	1.8
623.56653	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
56.14336	0.4
60.04528	6.5
69.03432	0.7
71.04996	1.2
71.37617	0.8
72.24843	0.5
79.05492	1.0
85.02898	3.5
95.04981	2.1
97.02910	0.6
99.04455	1.2
103.03936	2.5
107.04959	100.0
108.05285	0.6
108.96200	0.4
109.02873	0.5
109.10166	0.8
121.34898	0.4
127.03921	2.1
135.11713	0.4
135.42564	0.4
145.04897	1.0
151.16753	0.4
153.01851	1.1
158.73915	0.4
163.06055	3.4
173.13307	0.7
191.14330	1.0
209.15408	1.0
226.48297	0.4
268.18854	0.4
287.05453	6.5
303.05051	5.7
327.94266	0.5
329.18011	0.4
449.10931	1.2
465.09744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09612	1.2
55.01838	1.6
55.05509	14.8
57.03423	5.2
57.07061	3.2
67.05500	30.4
69.07059	15.3
73.95752	1.3
79.05489	20.2
81.07049	33.5
83.08614	8.9
85.06538	2.1
90.77908	1.5
91.05461	19.2
91.05922	1.5
93.07037	20.5
95.04947	2.7
95.08604	24.6
97.06517	2.1
97.10162	4.0
105.07030	18.8
107.08583	13.7
109.10139	12.0
111.08134	1.6
115.05433	2.8
117.06992	11.2
119.08568	18.5
121.10153	11.4
123.08035	2.1
123.11681	2.6
128.06238	4.3
129.07007	12.3
130.07765	1.6
131.08566	15.6
133.10135	14.7
135.11694	5.5
141.07005	5.6
142.07770	3.1
143.08554	18.1
145.10114	17.2
147.11670	8.8
149.13278	3.2
153.06998	2.1
154.07767	1.9
155.08566	17.1
156.09328	3.8
157.10123	19.2
159.11647	11.2
161.13261	5.2
165.07054	2.7
167.08563	9.8
168.09370	2.8
169.10110	21.6
170.10905	1.9
171.11661	16.2
173.13277	8.4
175.14862	2.7
179.08527	3.0
181.10094	12.5
182.10844	2.5
183.11708	19.9
185.13248	13.1
187.14819	4.5
189.16400	1.6
193.10228	3.8
195.11690	13.6
197.13260	16.0
199.14844	6.0
201.16492	2.7
207.11617	3.1
209.13234	10.0
211.14839	11.6
213.16422	6.5
219.11823	2.1
221.13327	3.7
223.14771	7.4
225.16388	8.3
227.18053	2.6
235.14905	4.7
237.16331	3.0
239.17929	4.8
241.19646	3.1
249.16351	2.6
251.17958	3.1
261.16351	1.8
263.17856	1.7
267.21164	1.7
289.19540	1.5
309.22009	2.6
337.25204	2.6
341.24707	1.4
349.25262	1.5
351.26920	3.6
363.26862	3.0
379.30179	2.1
391.29861	2.3
447.32657	2.2
499.39612	3.3
510.47375	1.9
517.40576	15.2
535.41620	10.3
539.36859	2.8
573.42780	3.3
576.84155	1.6
591.44025	15.2
609.45123	100.0
610.45453	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01862	1.9
55.05508	15.9
55.17327	1.1
57.03434	5.4
57.07076	2.6
63.86015	1.0
65.03955	1.3
67.05501	28.4
69.07068	15.2
70.29330	4.7
71.04998	2.3
79.05491	18.9
80.06284	1.2
81.07055	28.5
83.05003	1.3
83.08614	6.3
84.61733	1.0
85.06541	1.8
85.49772	1.0
91.05469	17.9
93.07040	21.9
95.04973	3.3
95.08599	23.7
96.49600	1.1
97.06529	2.6
97.10166	4.4
105.07026	20.9
107.08591	12.1
109.10149	8.6
115.05431	1.4
117.07008	11.4
119.08582	17.4
121.10137	9.0
123.11725	2.6
125.09644	2.5
125.84708	1.0
128.06216	3.7
129.07016	12.5
130.07832	1.5
131.08554	15.9
133.10141	13.3
135.11700	6.5
137.09636	1.4
141.07014	5.6
142.07803	3.8
143.08553	15.2
144.09363	1.3
145.10133	16.3
147.11685	7.1
149.13300	3.4
153.07007	2.2
154.07712	2.0
155.08549	14.7
156.09378	2.1
157.10126	17.5
159.11699	11.5
161.13277	2.3
163.14906	1.1
165.07043	1.6
166.07741	1.1
167.08577	7.8
168.09413	3.4
169.10150	16.5
170.10951	1.5
171.11685	15.2
173.13243	8.1
179.08603	3.5
181.10114	9.6
183.11670	18.0
185.13251	9.8
187.14882	3.6
189.16438	2.0
192.80698	1.3
193.10156	3.3
195.11693	12.8
196.12563	1.2
197.13252	13.0
199.14842	8.7
201.16367	1.8
207.11772	3.8
209.13293	8.2
211.14810	8.4
213.16406	4.6
219.11736	1.5
221.13309	3.5
223.14798	6.4
225.16376	5.6
227.18011	2.8
233.13176	1.1
235.14851	3.1
237.16359	4.8
239.18030	3.4
241.19678	1.8
249.16490	3.3
251.17873	3.0
253.19511	2.6
263.17932	1.5
265.19464	1.3
275.20279	1.3
281.22916	1.3
291.21106	1.4
297.21710	1.0
323.23654	1.9
325.21649	1.7
337.25320	2.1
339.22934	1.2
349.25165	1.2
351.26859	2.4
365.28467	1.7
391.29761	1.7
407.29346	1.4
421.31314	1.3
435.32935	1.3
447.32654	1.3
475.35529	1.7
499.39447	3.1
517.40466	17.4
535.41858	7.0
539.37726	1.3
573.43127	2.3
579.30585	1.1
591.44006	15.2
609.26245	6.0
609.45129	100.0
610.45648	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4122
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
52.06787	1.2
55.05509	1.8
55.78054	1.1
61.60743	1.0
67.05491	2.9
69.07063	1.7
69.80162	7.5
74.91724	1.0
79.05486	2.6
81.07053	5.1
85.08057	1.3
91.05443	3.0
91.13445	1.0
93.07040	3.3
95.08594	3.7
105.07043	2.5
107.08601	1.5
119.08565	3.1
121.10142	1.4
131.08525	1.7
133.10132	2.4
145.10144	1.8
149.13269	1.4
159.11757	1.5
159.87195	1.1
182.94687	1.1
187.24884	1.2
249.10153	1.1
250.22777	1.1
275.20099	1.8
282.01193	1.1
291.63489	1.1
296.84262	1.0
327.46021	1.2
407.22156	1.3
421.23840	1.2
475.20831	1.8
476.21869	2.0
503.24686	1.3
515.24518	2.4
531.23633	5.7
548.98096	1.3
559.23059	2.3
591.26129	10.3
591.40106	46.7
606.28271	1.3
609.26758	29.7
609.41095	100.0
610.26862	3.9
610.42023	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55906	1.4
57.92019	1.4
62.22932	1.5
67.05499	1.9
70.16622	7.6
79.05466	1.6
81.07030	3.1
87.32707	1.5
91.05431	2.3
95.08593	3.6
105.07018	1.7
119.08592	1.9
124.92042	1.5
128.96257	2.1
205.30232	1.7
207.08658	1.8
315.19281	7.9
475.21643	1.9
476.21298	2.0
584.82416	1.7
591.40167	70.5
592.40649	3.0
609.26990	9.2
609.41180	100.0
610.41217	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06068	2.2
53.03934	7.6
54.28054	2.6
55.01868	6.4
55.05499	13.5
55.66230	2.2
57.03430	26.1
59.04982	2.7
61.02923	94.9
64.10006	2.6
66.70043	2.2
67.05495	23.7
69.03078	3.4
69.03429	43.5
69.07061	11.6
69.49985	6.9
69.50401	14.0
70.06584	3.0
71.01354	3.5
71.04992	9.0
73.02911	29.8
79.03708	2.3
79.05497	19.9
81.03413	27.9
81.07053	83.1
83.04971	11.1
83.08612	7.1
85.02903	100.0
85.06531	6.8
87.04478	3.1
91.03945	57.3
91.05482	27.4
93.07045	14.2
95.04958	8.0
95.08598	21.6
97.02888	79.9
97.03513	4.2
97.06525	9.9
98.21505	4.4
99.04439	16.3
99.08096	4.4
101.02378	10.6
101.06014	2.9
101.81821	2.5
103.03951	7.0
105.06385	4.3
105.07027	43.9
107.04985	4.3
107.08594	12.9
109.02869	22.2
109.06541	7.5
109.10142	4.4
111.04478	3.4
115.03864	6.0
117.05504	6.5
119.08573	31.5
121.10141	19.7
123.08095	5.9
123.11689	30.6
126.93440	2.4
127.03912	45.4
127.07553	6.1
129.05498	4.6
133.10139	7.0
137.05963	3.5
137.13239	3.1
145.04933	22.8
145.10132	4.5
147.11678	90.2
149.05969	4.0
157.10069	4.1
159.06551	3.8
163.04002	3.4
163.06041	6.0
165.12749	52.5
171.06572	3.5
175.11299	2.8
183.06532	22.0
183.13739	12.6
184.17171	2.6
185.39757	2.6
193.12251	8.2
201.07541	5.8
211.13260	3.3
229.14337	40.0
267.15918	55.2
285.16953	94.5
309.17087	6.1
313.16412	7.4
327.18042	6.3
393.19089	9.3
407.38211	3.0
411.20200	17.1
429.21179	19.7
515.06726	2.8
529.63373	2.8
534.56219	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05514	0.7
56.56334	0.4
58.13991	0.4
65.69592	0.4
67.05501	1.4
69.07078	0.6
69.27242	2.5
69.27672	2.2
79.05502	1.3
81.07053	1.1
91.05483	1.1
93.07034	1.5
95.08634	1.3
97.06521	0.5
97.35786	0.4
98.21574	0.8
105.07071	0.8
107.08588	0.7
117.06968	0.6
117.68307	0.4
119.08622	0.9
133.10123	0.4
136.24623	0.5
145.10088	0.7
159.11772	0.7
216.33817	0.4
233.01393	0.4
238.89790	0.4
275.20340	0.5
276.49518	0.5
298.13721	0.5
349.49469	0.4
389.18625	0.5
391.19003	0.9
402.19589	0.5
403.19434	0.7
404.20364	0.5
405.20801	1.1
415.19266	1.3
416.20117	0.7
419.22931	0.8
428.20108	0.6
429.21136	2.4
430.22043	0.4
431.18478	1.4
432.19580	1.0
433.24857	2.0
434.20935	0.7
443.22675	1.1
444.23260	1.3
445.19656	1.2
445.25125	0.6
446.17490	0.8
447.21854	1.9
449.23505	0.8
457.20526	0.5
458.25256	0.7
459.21405	5.0
460.22803	2.2
461.19073	1.5
461.23532	2.6
462.20340	2.0
463.21271	0.7
472.22424	2.3
473.23340	0.8
474.20566	0.4
475.21027	0.8
475.25345	0.6
476.22385	2.3
477.23029	2.3
485.23376	1.6
487.25070	3.4
489.23114	1.8
490.23828	0.8
491.21710	0.5
493.25955	0.7
503.24356	1.9
519.23999	1.6
521.21417	2.8
531.23901	19.8
532.24329	1.0
534.21954	0.9
549.24854	9.6
563.26752	0.8
591.25793	2.9
609.27039	100.0
610.27203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
52.69735	0.4
67.05490	1.1
69.07073	0.4
69.35340	0.4
69.35677	3.9
72.62360	0.4
79.05508	0.9
79.91451	0.4
81.07045	1.1
91.05479	1.0
93.07052	1.0
95.08627	1.2
105.07043	1.2
107.08578	0.8
119.08596	0.7
121.10211	0.5
131.08521	0.7
133.10136	0.6
135.11775	0.5
142.07565	0.4
145.10124	0.7
146.06306	0.4
159.11743	0.5
175.53261	0.4
200.11703	0.4
220.54184	0.4
239.36324	0.4
273.10278	0.4
275.20090	0.9
335.65738	0.4
357.30560	0.5
375.16104	0.4
377.17825	0.6
389.17642	1.3
391.19131	1.5
401.17606	1.1
402.18729	1.0
403.19531	1.9
404.19974	1.0
405.16449	0.5
405.21033	2.1
406.21558	0.5
407.22321	1.3
415.19467	0.9
416.20172	0.5
417.17099	1.6
417.21298	1.2
418.17343	0.9
418.22119	0.6
419.17416	0.8
419.22696	3.6
420.23312	0.9
430.17929	1.4
431.17648	2.3
431.23355	0.7
432.18915	0.9
432.23849	0.5
433.20273	6.0
434.20810	1.3
435.22021	0.6
443.18784	1.5
444.19391	1.7
445.19876	3.9
446.21277	3.1
447.21909	4.5
448.22510	1.9
457.19922	0.7
458.21014	5.9
459.21744	3.6
460.22879	3.2
461.19827	1.2
462.20297	0.6
463.20901	2.6
473.23392	1.3
475.21289	1.7
476.22055	1.2
477.22714	1.5
489.18573	0.7
490.23889	0.8
503.20209	0.5
505.22464	0.8
517.22253	1.0
518.22821	2.8
519.23749	8.2
521.23578	2.1
531.23853	0.7
532.24860	1.2
535.22937	0.6
549.24854	4.8
581.26941	0.4
591.25946	10.4
592.26129	0.6
609.26984	100.0
610.27234	3.1
613.36829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
67.05498	3.5
69.84200	14.7
79.05509	2.4
81.07071	2.9
95.08654	2.6
98.21457	4.4
114.21491	2.9
119.67163	2.3
121.10114	2.9
257.71454	2.4
299.19882	4.0
315.19327	9.7
317.20972	19.3
325.80402	2.7
391.18869	3.5
404.20609	2.6
407.22607	4.5
461.19635	4.3
475.21146	8.4
476.21948	5.6
477.23041	4.8
485.23199	3.7
489.22278	5.0
499.21445	5.5
503.24121	5.0
515.24652	5.8
521.25409	3.5
531.23883	6.4
550.25372	3.2
559.23560	4.0
591.25806	16.5
609.26953	100.0
609.43469	5.6
610.27490	3.3
638.47394	2.8
639.17566	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.73721	1.7
53.03936	3.3
55.01867	2.3
55.05515	13.5
57.03425	2.8
61.31845	2.2
65.03919	3.5
67.05505	35.7
69.07067	11.1
71.04993	2.5
79.05478	28.1
81.07050	34.3
83.04995	2.5
83.08609	4.0
91.05478	26.3
93.07035	32.6
95.04967	5.8
95.08606	28.0
97.06509	3.8
97.10186	2.9
105.07016	24.1
107.08578	20.9
109.10176	11.5
115.05469	2.7
117.06994	16.6
119.08574	17.0
121.10145	15.0
123.08075	2.5
123.11678	2.8
125.09634	3.1
129.06989	7.4
131.08553	24.1
133.10141	16.1
135.07968	2.6
135.11694	8.0
143.08565	6.7
145.10118	24.2
146.03268	2.1
147.11674	8.9
149.09612	3.4
149.13196	2.7
155.08521	4.3
157.10097	6.5
159.11691	21.4
161.13255	4.5
163.11099	2.8
169.10101	4.8
171.11676	6.2
173.13277	7.0
183.11665	6.6
185.13252	4.2
195.11702	2.8
197.13248	5.3
199.14746	2.1
211.14778	2.2
239.17917	5.3
257.18994	17.7
275.20001	21.2
331.22678	3.1
335.25827	6.8
341.55380	2.1
382.40994	2.2
396.44629	2.1
405.20700	4.4
419.18500	2.8
421.23828	3.9
429.20425	2.5
457.24054	2.6
459.21643	3.6
460.22623	3.1
461.19742	7.4
463.20914	2.6
475.20923	7.3
476.21948	6.4
477.22501	4.4
485.23126	8.7
486.20471	3.7
489.22757	4.3
503.24164	5.8
515.24414	10.2
517.39905	5.0
521.25690	4.4
531.24054	24.8
541.22906	2.9
547.65125	2.2
550.25507	3.0
559.23096	10.6
591.26086	42.4
591.39984	48.9
609.26758	100.0
609.41705	97.5
610.26996	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.35045	0.8
51.44215	0.8
52.59086	0.8
62.80251	0.9
67.05499	2.8
69.07043	1.2
71.58857	1.7
79.05506	2.5
80.07801	1.0
81.07068	1.4
91.05485	2.4
102.95738	1.0
105.07014	2.6
107.08582	0.9
109.10155	1.1
117.07072	1.1
119.08591	1.5
133.10139	1.0
145.10199	0.9
163.07613	1.2
181.08606	1.1
209.10831	1.0
275.20282	1.4
299.12860	1.4
316.52994	0.8
389.17493	1.0
391.19101	2.0
403.19717	1.7
405.21027	1.9
417.16846	2.0
419.18307	2.3
419.23184	1.4
421.24237	2.1
431.18481	1.1
433.20413	4.8
434.20673	1.3
435.22101	1.7
445.20172	3.6
446.21320	1.8
447.21887	3.3
448.22653	1.8
449.23587	4.2
450.23560	1.1
457.20441	1.0
461.19696	2.6
463.21045	1.2
475.20712	1.4
476.22174	5.8
477.22940	3.3
519.24109	4.2
521.21118	1.7
531.23822	1.1
549.24915	13.9
581.27167	0.9
591.26044	3.1
609.27014	100.0
609.43750	3.1
610.27649	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50207	0.2
66.67538	0.2
67.02979	0.2
67.05492	0.2
67.99189	0.2
71.57966	0.3
79.05500	0.2
81.07079	0.4
91.05458	0.3
93.07031	0.2
95.08610	0.2
97.02892	3.6
99.02026	0.2
119.03563	0.5
136.06181	100.0
137.04576	0.9
137.06534	0.5
250.09334	0.2
286.03119	0.2
303.38519	0.2
331.38342	0.2
332.85135	0.2
348.07025	26.5
351.17151	0.2
359.77548	0.2
412.60486	0.2
473.42810	0.2
498.15881	0.3
552.21759	0.2
557.79340	0.2
618.30121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93546	1.1
71.58909	1.6
73.84959	1.3
74.22014	1.2
92.64376	1.0
118.48464	1.2
138.24335	1.2
164.52733	1.2
164.61992	1.0
176.74538	1.0
271.40115	1.1
299.93677	1.0
315.19452	5.5
429.25461	1.4
493.82431	1.1
504.28867	1.1
607.39703	100.0
608.40070	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.62261	2.4
64.26405	2.7
70.61786	9.2
121.43507	2.5
206.74916	2.7
315.09872	2.9
399.01813	2.9
417.21017	3.6
431.18707	12.5
433.23962	15.1
445.20337	11.2
446.21036	7.6
459.21594	4.0
460.22498	15.1
461.23120	16.8
473.23703	3.7
547.27063	51.7
579.29321	3.0
607.29108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2907
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.88670	0.7
66.18498	0.6
70.83325	2.1
70.83707	1.0
72.92995	0.8
92.64986	0.6
93.27284	0.6
102.90723	0.8
160.31326	0.7
217.09543	0.6
402.18610	1.0
403.19223	1.7
417.20859	2.3
418.22079	0.9
419.22226	2.2
431.17944	3.5
432.19037	1.0
433.23990	2.8
445.20059	4.7
446.20901	2.2
447.21201	0.9
459.21732	1.9
460.22388	3.8
461.23621	3.3
473.23328	0.8
547.26898	7.7
548.27478	1.0
607.29102	100.0
608.29315	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
58.99861	2.1
67.05511	1.3
69.07054	0.9
70.35365	0.7
71.58317	0.7
77.00905	6.1
79.05489	14.6
81.07043	3.3
91.05482	3.3
93.07016	1.7
95.01932	5.1
95.04972	1.2
95.08595	1.0
97.10151	1.0
105.07021	3.6
107.08575	4.7
117.03996	1.5
117.07070	0.8
119.08569	1.3
129.04001	1.3
131.01878	0.8
131.08582	1.0
133.10115	1.7
135.05038	0.9
141.03978	0.9
145.10094	1.5
147.05042	1.8
149.06528	0.9
155.05545	1.4
159.11815	0.9
161.08017	0.7
171.05016	1.9
173.06641	2.7
185.10170	1.2
187.08176	2.2
191.11319	2.9
193.13354	0.8
201.09705	4.6
201.11314	0.8
205.09116	1.3
207.05103	1.9
209.06593	4.1
209.10149	1.4
211.08160	1.1
213.09837	1.6
219.10812	2.8
219.14384	2.7
221.10243	1.3
223.11792	2.0
225.06105	1.0
225.09772	1.9
227.07774	1.7
227.11307	8.3
229.09230	1.0
231.10609	4.0
238.06827	1.0
239.11261	2.4
241.12863	1.2
245.12308	9.7
249.13338	1.8
250.13040	0.8
251.11295	0.9
252.11926	1.0
257.12344	3.6
265.12885	1.1
267.14441	4.1
270.13089	1.1
283.13986	2.6
285.15698	2.4
287.18674	0.9
291.17914	0.8
297.17044	3.0
307.14053	0.9
313.16614	2.0
315.18015	27.3
316.18414	0.9
331.17676	1.5
333.19080	48.4
334.19183	1.5
338.19687	0.8
351.20151	21.9
356.20679	7.8
374.21960	0.9
607.26642	4.3
607.38342	100.0
608.38452	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.62103	0.4
55.05498	0.4
60.69449	0.3
67.05495	0.8
71.58105	0.3
71.58565	0.8
78.97925	0.3
79.05477	0.8
81.03408	0.4
81.07045	0.9
84.99961	0.4
85.09034	0.3
91.05473	0.4
92.96601	0.3
93.07044	0.7
97.30057	0.3
112.79723	0.3
126.71074	0.3
131.08562	0.3
135.47166	0.3
146.91814	0.4
163.07440	0.3
195.09248	0.4
195.55989	0.4
323.14182	0.4
373.14719	0.4
374.15472	0.5
375.16211	0.8
376.17404	0.5
377.17679	0.4
387.16098	0.7
388.16812	1.1
389.17520	3.1
390.18576	1.3
391.19189	1.3
401.18033	0.7
402.18542	1.2
403.14761	0.6
403.19568	4.1
404.20074	2.0
405.20773	3.5
415.19562	0.6
416.16183	1.1
417.16214	3.8
417.21191	1.8
418.17776	1.4
418.21872	1.2
419.22464	5.4
420.22998	1.3
430.17798	1.2
431.18268	7.8
432.19025	3.1
433.20059	3.8
444.20346	0.5
445.20163	5.6
446.21063	8.1
447.21738	8.4
448.22818	0.5
459.17169	0.7
459.22028	1.4
460.23041	0.6
461.19363	2.1
462.24472	0.7
463.25842	0.5
473.23544	1.5
474.20340	5.8
475.21158	4.5
477.23050	0.9
478.23322	1.0
487.21277	1.5
490.23810	0.6
491.19925	3.0
501.22864	1.2
505.22357	0.7
519.24060	15.4
520.24274	1.2
529.22577	0.6
547.23389	13.4
548.23401	0.6
551.26581	0.6
575.21973	0.5
579.25909	5.7
607.25494	100.0
608.25763	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2544
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.12046	0.5
63.38837	0.6
69.65537	1.4
69.65949	2.7
73.87179	0.6
98.21481	1.3
134.05954	0.6
169.50500	0.6
196.29709	0.7
235.54724	0.8
338.16534	0.6
346.53275	0.6
374.15524	1.1
375.16006	1.0
387.16177	1.2
388.16794	1.5
389.17612	3.3
391.19434	0.9
401.17761	1.1
402.18665	1.2
403.19592	4.0
404.19986	2.0
405.20633	3.0
417.17117	4.2
417.21155	2.5
418.17084	0.9
418.22217	1.1
419.22391	7.8
420.23038	1.4
430.17542	1.2
431.18228	6.5
432.19373	3.1
433.19931	3.6
445.20230	5.7
446.21106	7.7
447.21683	10.2
448.22455	1.3
459.21735	2.2
461.19601	1.7
463.25153	0.8
473.23813	0.9
474.20447	5.2
475.20889	4.6
477.22925	0.6
487.21631	1.4
488.21887	0.7
491.19998	3.1
501.21994	0.7
505.22318	1.3
506.22748	0.8
519.24030	16.9
520.23865	1.4
547.23322	12.7
579.26129	6.7
607.25482	100.0
608.25854	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
61.38688	1.6
67.05492	2.4
69.07062	2.1
69.29232	13.3
69.29665	6.1
70.40476	1.8
70.40857	1.7
81.07063	3.3
91.05490	4.0
93.07035	2.3
98.21478	3.0
105.07043	3.7
119.08561	2.3
126.85416	1.7
145.10188	2.1
166.18507	1.6
342.52380	1.8
375.15945	3.3
387.75604	1.9
388.17111	2.1
389.17780	3.8
390.18533	2.8
402.14761	2.5
403.19284	4.9
404.19894	2.3
416.16080	3.5
417.16644	3.1
417.21405	2.7
418.17682	3.1
419.22269	5.7
431.18683	7.5
432.19385	3.7
433.20438	3.3
445.20285	7.9
446.21112	10.0
447.21555	9.3
461.20065	2.7
474.20551	10.8
475.21304	16.7
487.21011	4.2
501.22977	2.8
519.24316	12.1
529.21729	2.3
547.23389	77.3
548.23779	5.4
579.26233	3.7
607.25500	100.0
607.41034	6.1
608.26001	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.16657	0.5
55.01852	1.0
55.05506	0.7
55.26171	0.6
62.83025	0.6
67.05489	1.7
68.37096	0.5
69.03406	2.0
69.07047	1.8
70.86803	2.0
71.04964	1.1
78.26052	0.6
79.05476	2.3
81.03400	1.5
81.07046	5.1
85.02912	3.2
86.09686	0.9
87.00814	1.1
87.01761	0.6
91.05467	2.4
93.07028	1.9
95.04947	1.3
95.08585	1.8
97.02874	1.7
97.06532	0.7
105.01841	0.7
105.03307	0.6
105.07014	2.4
107.04933	1.8
107.08586	1.5
108.04406	0.6
109.02888	1.2
109.06516	3.9
109.10123	0.8
115.05423	1.2
117.07013	0.7
118.61964	0.5
119.04911	2.5
119.08610	1.2
121.06462	1.1
121.10099	1.1
121.35957	0.7
123.04420	6.7
123.08059	0.6
127.03915	1.6
127.86021	0.5
129.06956	0.9
131.05031	0.7
131.08592	0.9
133.10152	1.0
135.04404	2.3
137.05945	1.0
141.07088	0.6
145.05008	0.8
145.10167	0.7
147.04398	23.6
147.08015	1.8
149.05896	1.1
151.07544	1.0
153.05452	0.8
157.06425	0.7
157.10107	0.7
159.04462	0.7
161.05887	1.2
161.09616	0.7
163.03873	1.7
163.07520	1.2
167.08577	1.0
169.06424	0.6
171.04378	1.3
171.08061	2.1
173.06013	1.2
174.06628	0.7
175.07500	1.4
185.06023	1.6
185.09602	2.3
187.07561	2.5
189.09096	2.8
195.07994	1.9
198.06773	1.7
199.07507	1.8
204.07465	0.8
211.07515	0.9
213.09033	4.8
215.07043	2.2
235.07697	0.9
239.07053	1.1
240.07925	0.7
253.08652	2.0
267.10336	0.6
269.08127	2.1
280.07297	1.6
281.08026	1.3
293.08057	1.1
294.08688	0.8
295.09830	1.0
295.13217	3.1
305.11679	1.1
307.09579	1.4
308.10583	2.9
323.12759	100.0
324.13016	2.2
341.13773	2.4
365.14038	0.8
589.19513	0.8
606.21191	0.7
606.32959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65523	0.3
53.03948	0.7
55.01875	0.6
55.05505	0.7
55.55865	0.4
62.89404	0.5
66.01514	0.3
67.05493	1.4
69.03413	0.8
69.07061	0.7
69.52400	0.6
69.52737	3.3
69.66217	0.3
70.06596	1.0
71.04977	0.4
72.22130	0.4
79.05479	2.2
81.03413	0.9
81.07056	4.2
83.04976	0.4
84.08144	0.5
85.02901	1.6
86.09664	0.4
91.05476	1.5
93.07018	1.6
95.04951	1.4
95.08584	1.3
97.02891	0.8
97.06512	0.6
97.10157	0.6
99.04455	0.5
99.27229	0.3
105.07040	1.0
107.04943	1.4
107.28265	0.3
109.02867	0.9
109.06517	3.9
109.10144	1.1
115.05437	0.9
117.07014	0.4
119.04934	2.0
119.08563	0.8
120.08119	0.5
121.02771	0.4
121.06496	0.6
121.10125	0.8
123.04433	5.9
123.08103	0.4
123.11676	0.4
124.07594	0.5
127.03846	0.7
128.06192	0.4
129.07011	0.6
131.04900	0.7
133.10136	0.4
135.04446	2.1
135.08020	0.5
137.05989	0.7
143.08527	0.9
145.10107	0.5
147.04410	19.6
147.08064	1.1
147.11690	0.7
148.05128	0.6
149.05991	1.0
152.06161	0.4
155.08505	0.4
157.06450	0.7
157.10120	0.5
159.04407	0.5
159.08057	1.5
160.05194	0.5
161.06004	1.2
161.09683	0.7
163.03922	1.5
163.07578	0.9
165.09190	0.7
167.08588	0.7
167.88298	0.5
169.06461	0.5
171.04391	1.1
171.08134	1.9
171.09396	0.5
173.06003	0.7
174.06763	0.9
175.07565	0.7
177.09137	0.6
185.05956	1.5
185.09615	1.1
187.07535	2.0
189.09039	2.4
195.08093	1.8
197.09602	0.4
198.06743	2.1
199.07539	1.2
201.08974	0.5
211.07498	0.8
213.05562	0.8
213.09094	5.5
215.05113	0.4
215.06828	1.9
223.07513	0.8
225.09053	1.1
235.11238	0.4
239.06969	0.5
240.07706	0.9
251.07031	0.4
253.08492	2.5
253.12334	0.4
256.07428	0.5
259.11182	0.4
262.09857	0.8
263.07043	0.9
265.08502	0.8
267.06400	0.6
269.08090	2.1
277.12317	1.0
280.07260	1.7
281.08151	2.0
291.10095	0.9
293.08142	0.7
294.08887	0.9
295.09665	1.1
295.13284	2.4
305.11612	1.4
306.24203	0.4
307.09738	1.2
308.10440	3.4
323.12766	100.0
324.13052	2.0
341.13971	1.6
365.13681	1.1
553.16815	0.6
571.18097	10.0
572.18292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58042	6.9
55.01864	13.1
55.05514	54.4
62.37149	7.3
64.50571	7.4
67.05236	8.1
67.05515	100.0
69.07061	45.3
69.10733	7.3
71.04977	13.5
71.08653	11.3
71.58360	10.1
72.99177	7.5
73.84134	7.2
79.05502	60.1
81.07061	87.9
83.04971	14.9
83.08614	28.0
91.05476	69.7
93.07050	76.5
95.04977	22.2
95.08595	70.5
96.04221	8.7
97.06514	11.0
97.10168	42.7
99.08103	10.7
105.07028	42.1
107.04985	14.6
107.08593	33.6
109.06565	14.2
109.10140	35.9
111.08080	10.2
111.85397	8.1
117.07030	8.9
119.08582	42.7
121.10141	29.3
121.29790	7.4
123.11725	9.8
125.09644	37.5
129.07025	9.3
131.08595	20.8
133.10133	30.8
135.08150	10.4
135.11702	25.1
137.09619	16.3
139.11169	15.6
143.08600	14.0
145.10135	15.1
147.11682	17.4
149.05948	16.1
149.09607	16.7
149.13223	16.3
151.11208	10.6
159.11719	15.9
161.05960	13.5
161.13243	9.7
173.11716	10.6
175.14769	11.3
189.11201	32.4
203.12727	13.8
221.05853	12.8
275.20120	55.0
277.21606	47.9
293.21085	19.1
295.06073	31.9
307.22043	8.7
326.75742	8.0
569.41815	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00589	0.5
51.02369	0.7
53.03941	2.2
55.01865	1.2
55.05506	0.9
59.56543	0.5
61.02916	0.6
62.92311	0.5
67.05490	1.6
69.03423	4.2
69.07046	1.1
69.93049	1.9
69.93465	1.5
70.06590	0.6
71.05002	0.9
73.02910	0.5
79.05486	2.6
79.63702	0.5
81.03411	4.1
81.07050	3.4
85.02903	5.8
86.09696	0.8
87.00839	1.7
91.05474	1.9
92.31458	0.5
93.07025	2.0
95.04976	3.5
95.08610	1.7
97.02884	2.5
97.06530	1.0
99.04455	1.4
99.08059	0.5
100.11224	0.5
101.25950	0.6
102.65303	0.5
105.01866	1.3
105.07027	2.5
107.04952	100.0
107.08582	2.0
109.02882	3.6
109.06521	1.1
109.10170	1.8
111.08073	0.7
117.07001	0.8
119.04936	0.6
119.08586	1.5
121.06497	3.4
121.10150	1.1
123.04438	0.9
123.11649	0.9
125.05940	0.6
127.03910	4.3
129.01781	0.6
131.04951	1.5
131.08585	1.2
133.06529	1.0
133.10150	1.4
134.03647	0.6
135.04422	0.6
135.11681	0.7
137.05975	1.6
137.09688	0.7
139.03856	1.2
143.08557	1.1
145.04965	0.9
145.06476	1.6
145.10123	0.7
147.04449	0.8
147.11691	0.7
149.05965	5.0
149.09581	0.6
151.07513	1.6
157.10016	0.6
159.02875	1.1
159.08081	0.8
159.11685	0.7
161.06007	3.5
163.03943	1.3
163.07536	1.1
163.11119	0.7
164.40152	0.6
165.01842	2.2
165.05528	0.6
167.08534	0.6
171.11664	0.6
173.06030	1.1
175.07491	1.0
175.14775	0.6
179.03427	0.8
179.07037	6.1
183.02928	3.4
191.07039	1.4
191.10658	4.6
195.02867	0.6
197.09630	0.6
203.06998	2.4
203.10600	1.7
208.50465	0.5
215.10666	2.6
218.09395	0.6
221.11688	2.4
223.07391	0.7
233.11702	16.8
251.12785	27.3
267.10419	0.6
285.11295	0.6
301.07098	3.7
321.14755	0.7
337.19757	0.6
339.12344	0.6
339.15939	7.5
339.22214	0.7
357.16949	74.5
358.17334	0.7
381.70676	0.5
399.13580	0.6
425.58148	0.6
433.17789	0.6
501.27206	2.1
605.29602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01881	1.8
57.03427	1.1
61.02916	1.7
65.03943	0.9
69.03429	11.0
69.07062	1.4
70.11494	4.3
70.11794	1.1
71.05009	1.0
71.59136	0.8
71.64822	0.8
73.02890	2.1
79.05479	1.0
81.03414	8.4
81.07057	1.1
83.04967	0.7
83.59647	0.7
84.92146	0.8
85.02900	24.4
85.06531	0.7
87.00825	6.7
87.04473	1.3
91.05473	16.6
91.06011	1.2
93.07001	1.1
94.91371	0.8
95.04982	0.9
97.02879	5.9
98.73053	0.7
99.04445	3.7
103.03909	1.1
105.01851	4.9
109.02876	7.0
115.05505	1.1
117.01876	1.2
117.07002	2.0
119.04945	19.5
121.06491	1.2
127.03911	16.3
129.01822	1.5
131.08681	1.2
137.05992	2.6
139.03897	2.5
145.04967	5.7
145.06473	2.8
147.02861	1.4
147.04349	0.8
149.05972	100.0
150.06351	0.8
151.07544	2.3
155.86575	0.8
157.10133	1.1
159.02876	5.0
159.08041	1.3
161.06007	1.7
163.03947	1.8
163.07527	4.4
165.05623	1.1
171.08075	1.3
171.33319	0.9
173.05934	1.1
173.09669	1.1
175.07541	14.0
176.08160	0.9
177.05403	0.9
187.07539	2.0
191.07011	1.8
199.07611	1.1
203.10637	2.4
205.12227	83.6
217.08685	1.7
231.04991	2.6
231.13834	8.4
235.05978	0.9
241.08559	1.0
243.13792	2.9
245.15486	1.8
247.13271	1.1
253.08670	1.3
255.10074	1.2
269.07968	1.9
271.09619	1.4
273.14850	3.4
273.17523	0.8
281.07977	0.9
283.09683	2.4
297.14874	2.0
299.09055	3.8
301.10675	30.3
339.15826	4.6
341.10123	1.4
343.11652	1.5
355.15479	4.2
357.16989	12.3
381.17761	0.9
381.19254	1.0
387.10745	2.4
405.11835	1.9
440.30307	0.9
443.16934	3.2
461.17972	1.2
549.15948	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46731	0.8
52.13697	0.8
53.03948	1.6
53.29025	0.7
55.01871	3.4
55.05508	1.0
57.03434	1.5
61.02919	1.6
65.03926	1.0
67.05483	2.0
68.99796	2.4
69.03436	6.4
71.05007	1.6
73.02917	1.7
79.05492	4.4
81.03414	8.8
81.07037	1.6
83.04971	0.7
85.02906	16.7
85.06524	1.1
87.00811	6.3
91.05459	3.9
93.07023	1.4
95.04963	2.6
95.08591	1.6
97.02898	5.1
98.21491	2.6
99.04469	2.4
103.05482	3.6
105.01874	3.6
105.07034	7.1
107.04939	6.2
107.08614	1.3
109.02880	6.7
109.06540	1.1
115.05501	1.3
117.01867	1.6
117.07010	2.5
119.04948	1.6
119.08593	2.2
121.06508	1.4
122.88526	0.8
123.04410	5.3
127.03915	8.9
128.06206	2.3
129.01810	1.2
131.04895	2.2
131.08575	1.5
132.05685	1.3
133.06471	0.8
135.04410	27.7
135.08055	5.8
137.05972	5.6
141.06937	0.9
143.08546	1.1
145.04973	2.2
145.06499	2.9
146.07303	0.8
147.02769	1.0
147.03305	1.2
147.04410	10.5
147.08052	12.2
149.06010	2.7
151.07510	0.9
157.10095	1.1
159.02930	4.9
159.04347	1.9
159.08076	1.0
161.05959	5.8
161.09602	2.3
163.07533	51.7
164.07857	1.4
165.05515	2.0
171.08037	5.3
173.05986	3.1
175.03983	2.7
175.07538	2.7
177.05449	5.5
178.05841	0.9
185.06084	0.8
187.07544	3.8
189.05478	1.3
189.09103	35.8
201.05475	6.0
201.09213	1.9
203.10699	1.9
205.08754	0.9
207.10164	100.0
208.10500	1.9
213.09157	2.8
215.07037	1.6
215.10667	1.5
219.33916	0.8
226.06302	1.2
227.07187	1.2
229.08607	2.0
231.10213	3.6
233.11676	2.2
243.06532	11.8
243.10173	0.9
247.09601	1.0
249.11177	11.9
251.07013	1.1
255.10225	2.3
269.08072	1.0
273.11194	9.2
275.12967	1.4
285.11328	2.8
297.11270	4.7
301.10678	1.1
309.11243	1.6
315.12286	6.7
323.12964	1.1
339.15973	1.3
341.13889	1.1
351.12155	1.1
356.15915	0.9
357.16904	3.2
365.08884	2.0
369.15704	1.0
393.13516	1.0
401.12253	2.4
419.13614	5.4
437.14499	7.7
455.15417	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69548	0.4
52.43409	0.4
53.03931	0.7
55.01860	0.6
55.05494	1.1
57.03404	0.5
61.02904	0.4
67.05489	0.7
68.99766	0.4
69.03412	1.8
69.07055	0.6
71.04965	0.4
71.57739	0.7
72.84355	0.4
77.03947	0.5
77.19817	0.4
79.05479	1.5
81.03414	2.3
81.07030	2.4
82.06617	0.4
83.04962	0.7
83.08597	0.5
85.02896	3.0
85.06541	0.5
87.00813	1.0
87.04491	0.5
91.05482	3.3
93.07038	1.3
95.01319	0.7
95.04984	1.0
95.08608	0.8
97.02885	1.7
97.06521	0.4
97.10175	0.7
99.04438	1.0
100.11250	2.2
105.01862	1.0
105.03362	0.9
105.07026	1.7
107.04932	1.3
107.08562	1.4
109.02871	1.4
109.06485	1.7
109.10156	1.0
111.04468	0.7
119.04911	0.9
119.08569	1.9
121.02835	0.5
121.10114	0.7
123.00793	0.4
123.04331	0.4
123.08128	0.4
125.09618	0.6
127.03888	1.7
128.06226	0.8
129.07018	2.0
131.04909	0.5
131.08513	0.6
133.02782	0.9
133.06494	0.8
133.10086	0.7
135.04413	0.5
135.08086	0.4
135.11691	0.7
137.02338	0.8
141.18329	0.4
142.46480	0.4
145.05003	0.7
145.10158	0.8
147.04388	0.7
147.08049	4.0
149.02304	3.4
149.05934	0.9
151.03885	1.5
157.06516	0.6
159.08105	0.5
159.11763	0.6
160.05286	0.5
161.02332	12.6
161.05968	4.0
163.03874	4.6
163.07478	0.6
165.08978	0.4
167.03387	7.1
175.03917	1.6
175.07492	3.5
179.03404	0.4
185.05954	3.6
188.04620	0.6
191.39555	0.5
193.05035	0.7
203.07019	100.0
204.07356	0.5
205.08649	0.6
209.16541	0.5
210.14894	0.8
221.08075	20.2
231.04945	0.5
251.70439	0.4
267.06525	4.5
269.88641	0.4
279.06961	0.4
303.22891	0.4
306.08823	0.7
321.11163	6.1
339.12253	10.6
339.16290	0.6
357.13321	5.6
357.17175	0.5
447.34915	0.6
469.13544	0.7
556.27563	0.5
605.31366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.1
71.58230	1.3
74.92780	0.7
75.77911	0.6
77.94441	0.7
79.05490	1.1
79.36603	0.7
80.82301	0.8
81.07069	1.2
91.05488	2.3
93.07090	0.9
105.03391	4.4
105.07024	1.3
107.04959	1.1
119.04939	2.0
119.87162	0.6
120.02124	0.7
123.04403	0.8
133.02846	5.0
149.06000	5.9
151.03902	1.3
161.02350	100.0
161.05916	4.1
163.07541	2.1
177.09102	1.0
196.71303	0.7
201.09140	1.2
203.10690	4.3
205.12212	4.6
215.06987	1.0
227.07033	42.1
229.08707	1.7
243.06590	1.8
253.08752	1.0
293.08105	2.9
297.07535	1.8
345.11099	0.9
384.23953	0.9
471.14609	2.6
472.15942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.3
56.51261	6.5
58.48407	7.5
60.20160	7.1
61.02182	6.5
61.88457	8.5
63.46892	6.1
67.05500	16.7
69.07054	23.9
70.84379	11.0
70.84716	11.8
79.05484	24.9
81.03409	15.4
81.07053	17.8
83.04964	9.0
91.05474	14.1
93.07030	26.7
95.08606	21.4
97.06535	13.3
97.10162	7.4
105.07039	9.6
107.04939	36.2
107.08582	9.9
111.04456	7.3
114.31422	7.2
119.08556	8.6
121.10146	12.4
131.08522	7.5
131.69226	6.6
133.06505	9.8
137.73512	6.9
149.09599	29.5
169.80289	7.0
173.01448	8.9
181.31572	6.7
184.67938	7.2
273.18561	16.4
291.19510	100.0
292.19620	9.5
605.27338	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.1
71.58230	1.3
74.92780	0.7
75.77911	0.6
77.94441	0.7
79.05490	1.1
79.36603	0.7
80.82301	0.8
81.07069	1.2
91.05488	2.3
93.07090	0.9
105.03391	4.4
105.07024	1.3
107.04959	1.1
119.04939	2.0
119.87162	0.6
120.02124	0.7
123.04403	0.8
133.02846	5.0
149.06000	5.9
151.03902	1.3
161.02350	100.0
161.05916	4.1
163.07541	2.1
177.09102	1.0
196.71303	0.7
201.09140	1.2
203.10690	4.3
205.12212	4.6
215.06987	1.0
227.07033	42.1
229.08707	1.7
243.06590	1.8
253.08752	1.0
293.08105	2.9
297.07535	1.8
345.11099	0.9
384.23953	0.9
471.14609	2.6
472.15942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18138	35.8
54.11807	37.2
59.26156	36.3
67.05509	50.9
69.07068	41.6
71.58467	34.6
71.58864	53.9
79.05495	39.8
79.86031	36.4
81.07062	100.0
93.07037	60.7
117.06972	41.1
118.67601	34.6
119.08621	41.8
197.86229	41.8
216.31807	40.2
273.18408	44.5
291.19693	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01874	19.0
55.05514	64.2
56.21288	1.4
57.03431	5.4
57.07062	1.7
59.05008	2.8
59.30857	1.4
61.37400	1.6
65.03946	4.0
67.05508	100.0
67.85909	1.4
68.05833	1.3
69.03426	5.8
69.07071	56.4
69.49728	13.2
71.04990	6.1
77.03951	2.8
79.05499	71.4
81.03423	9.5
81.07062	81.1
83.04984	10.3
83.08621	27.1
85.02924	1.7
85.06551	3.4
91.05486	66.6
93.07047	60.4
95.04977	28.4
95.08611	61.8
97.06544	18.0
97.10174	33.7
98.20904	4.3
99.08084	2.3
103.05495	3.2
105.04569	1.6
105.07037	67.7
107.04963	14.1
107.08602	53.1
109.06523	10.5
109.10162	38.2
111.08077	6.0
113.09660	1.9
115.05451	3.6
117.07032	28.3
119.08589	46.8
121.06515	8.9
121.10149	25.3
123.08102	10.3
123.11709	7.0
125.09627	25.5
127.03898	1.7
128.06244	5.4
129.07040	16.6
131.08578	35.4
133.06512	5.6
133.10139	36.1
135.08084	11.2
135.11708	11.0
137.02344	3.0
137.09650	8.6
139.11191	5.8
141.06993	5.9
142.07802	4.3
143.08578	15.5
145.06522	4.0
145.10132	30.2
147.08073	5.2
147.11687	20.4
149.09631	18.9
149.13271	6.0
151.11197	3.8
153.09160	3.7
155.08565	7.0
155.10695	1.8
157.06499	2.0
157.10114	10.6
159.08067	3.4
159.11702	24.2
161.09642	4.9
161.13266	10.1
163.11212	13.5
163.14792	2.8
165.12700	2.1
167.03540	1.8
167.08595	3.2
169.10150	9.5
171.08089	2.9
171.10385	2.6
171.11722	12.6
173.09572	3.8
173.11760	11.9
173.13292	12.9
175.11186	4.5
175.14851	1.9
177.12764	4.5
179.14258	1.5
181.10117	2.6
183.11670	8.0
185.13286	5.8
187.11198	4.6
187.14838	4.6
189.11221	20.4
189.12744	2.9
191.14403	2.7
193.12236	2.9
195.11705	2.9
197.09586	1.6
197.13268	7.7
199.14781	4.8
201.12704	2.7
201.16406	2.0
207.11577	1.6
209.13356	2.4
209.15218	1.7
211.13232	2.5
213.16324	3.6
217.15903	1.5
219.13808	2.6
223.13321	6.0
227.17908	2.5
227.56940	1.5
229.19557	2.8
235.16963	2.1
239.07126	1.9
239.18004	6.1
247.20596	2.2
257.19009	11.0
263.20078	2.0
267.06631	8.4
271.06070	2.3
271.20697	1.9
273.18430	3.7
273.97357	1.8
275.20093	65.4
277.21609	5.1
279.06610	2.5
283.20511	1.9
287.20319	2.6
289.18365	1.9
289.21591	3.1
291.19525	16.0
293.21173	11.3
301.21637	3.7
305.21210	1.6
315.23196	1.7
319.22711	4.5
323.12775	9.2
327.23541	2.5
347.12778	4.4
357.27878	1.9
381.27917	4.6
383.29337	2.0
395.29822	3.3
397.31116	3.4
399.28622	7.9
413.30676	3.9
431.22186	3.5
437.30777	2.9
449.19690	2.8
451.31784	2.6
455.31662	5.3
457.33328	2.8
473.32495	4.7
505.26797	1.9
549.39191	5.9
567.40210	10.0
585.32678	3.0
585.41028	9.4
603.42261	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.1
55.01879	17.7
55.05507	39.5
67.05512	72.7
69.07064	32.0
69.91131	51.6
71.08631	12.0
79.05505	76.7
81.03407	13.0
81.07063	65.1
83.04968	11.4
83.08628	24.0
91.05475	44.0
93.07069	62.9
95.04964	22.3
95.08608	42.4
97.10172	27.3
98.20840	16.4
99.08109	19.4
104.07946	10.6
105.07034	31.9
107.04963	100.0
107.08595	31.3
108.05462	9.8
109.04262	7.9
109.10143	21.6
117.07037	12.8
118.10147	9.1
119.08578	40.7
121.10155	25.0
125.09644	24.7
129.01729	8.7
131.08578	21.6
135.08070	24.2
135.11639	25.6
137.09627	14.5
140.65359	8.7
147.08067	18.2
149.06009	17.0
151.11234	13.4
159.11633	14.2
173.11722	18.4
189.11224	18.3
205.12331	10.9
263.20151	17.9
273.18530	32.3
277.21683	26.1
291.19406	51.0
295.23016	10.5
462.06006	8.9
481.25705	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.7
55.05510	23.7
57.03428	6.0
58.70206	2.9
67.05495	44.3
68.07649	3.2
69.03413	4.4
69.07065	41.6
69.27736	3.1
71.22882	9.8
79.05494	43.7
81.03418	7.9
81.07056	31.3
83.04974	12.6
83.08602	10.0
85.06544	4.2
91.05465	30.1
93.07040	50.4
95.04970	21.7
95.08616	31.6
96.96649	2.9
97.06519	9.7
97.10147	8.5
105.07028	27.8
107.04952	25.5
107.08587	31.5
109.06528	8.0
109.10149	15.6
111.08077	6.6
111.75772	3.4
117.07008	13.4
119.08576	24.7
121.06500	4.4
121.10137	29.2
125.09623	5.6
125.16844	3.0
125.23584	3.1
127.92325	3.1
131.08549	11.9
133.10127	24.9
135.08066	20.5
135.11728	4.6
137.09584	5.0
139.11221	5.3
145.10152	12.9
147.11691	7.1
149.09586	15.3
151.11192	14.5
153.47455	3.0
159.11702	7.0
161.13345	3.9
171.11566	4.7
177.12787	6.6
183.11606	3.4
195.13835	6.0
203.12758	11.4
207.13835	4.3
237.14854	9.0
247.20406	3.7
257.18884	6.6
275.20038	100.0
293.21082	80.0
313.17212	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
55.01868	4.0
55.05510	42.9
57.03423	3.0
59.04958	2.3
65.03957	4.3
67.05500	100.0
69.07065	31.9
71.04971	6.9
71.37984	6.2
79.05064	5.1
79.05491	67.0
81.03398	7.6
81.06583	4.5
81.07050	80.1
83.04970	5.8
83.08623	19.8
85.06541	4.9
89.11593	2.5
91.04914	3.2
91.05479	69.7
93.07033	60.9
95.04953	16.3
95.08601	72.5
97.06522	8.4
97.10168	13.5
105.07026	61.6
107.04938	7.7
107.08591	54.1
109.06513	5.8
109.10152	42.6
110.86842	2.5
117.07017	26.0
119.08583	55.3
121.06487	7.4
121.10125	29.2
123.08056	5.7
123.11708	6.6
125.09645	12.9
129.07005	7.2
131.08575	35.4
133.10126	47.7
135.08075	5.8
135.11661	15.7
137.09607	7.3
141.06912	5.1
143.08571	7.3
145.10129	24.2
147.11685	25.2
149.09634	8.6
149.13242	8.7
155.08563	3.6
155.10640	2.8
157.10210	7.0
159.11688	22.1
161.13280	13.8
161.14476	3.0
163.11157	4.0
169.10114	5.7
171.11726	8.3
173.11716	28.3
173.13242	16.3
175.14867	6.5
177.12671	6.2
181.12164	4.8
182.43851	2.8
183.11786	3.4
185.13205	4.2
187.11230	3.8
187.14751	3.3
189.11214	10.6
189.12781	3.6
189.16451	3.6
193.12167	3.0
195.13828	4.3
197.13203	6.4
199.14787	4.1
203.17896	3.4
205.12253	5.3
215.17978	3.9
235.16745	3.7
239.17896	7.6
241.14294	3.2
251.20265	4.1
257.18921	3.4
259.20352	2.8
263.20239	4.5
271.43661	2.6
273.18652	3.5
275.20041	30.8
277.21548	10.1
303.23166	3.7
317.24750	3.6
345.27881	17.7
358.44141	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94497	2.1
51.45934	1.8
52.38164	1.8
52.67156	1.8
53.03931	6.1
55.01855	7.5
55.05502	42.6
65.03934	6.1
67.05498	100.0
67.52689	2.2
68.15490	2.4
69.03438	2.9
69.07059	27.6
71.04993	4.5
71.58360	3.9
75.81188	1.8
77.03908	2.1
79.05478	66.2
81.03414	6.2
81.07048	73.9
81.39693	2.0
83.04980	4.4
83.08613	18.4
85.06541	4.9
91.05473	60.0
91.50102	2.0
93.07037	55.9
94.95568	2.1
95.04958	14.4
95.08594	62.9
97.06516	7.3
97.10159	16.9
103.05482	2.3
105.06305	3.2
105.07017	59.5
107.04945	8.7
107.08581	48.2
109.06510	3.9
109.09457	3.9
109.10145	47.8
111.08042	4.5
113.69386	2.5
117.06990	23.5
119.06039	2.2
119.08566	52.1
119.09368	4.1
121.06512	7.1
121.10120	24.8
123.08058	9.7
123.11710	7.8
125.09604	12.1
129.06998	7.3
131.08545	29.3
133.06497	2.3
133.10115	38.6
135.08032	5.2
135.11670	17.5
137.09630	7.9
139.11127	3.9
141.06973	6.0
142.07805	2.9
143.08539	8.8
145.10100	20.6
147.11671	25.6
149.09648	7.6
149.13211	6.6
153.12613	2.4
155.08588	3.4
155.10645	4.2
157.10135	6.5
159.11674	17.5
161.09630	2.4
161.13235	11.5
163.11208	4.8
169.10141	6.2
171.11684	7.0
173.11722	21.4
173.13257	11.7
175.14853	3.6
177.12712	4.4
183.11682	4.7
185.13197	5.3
187.14775	4.7
189.11189	9.6
189.16379	2.8
195.13829	2.8
197.13263	5.2
203.17950	2.2
208.79842	2.3
227.18062	3.0
229.19476	3.1
239.17995	6.8
247.20564	3.7
251.19901	2.9
257.18921	4.8
263.20035	3.5
275.20074	49.4
277.21579	5.5
291.19397	3.4
293.21094	7.5
345.27808	11.8
471.34445	3.7
624.01935	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.8
55.01466	2.9
55.01881	19.4
55.05510	67.7
57.03406	4.0
57.07051	3.1
58.24636	2.8
60.44659	3.3
67.05502	74.7
67.83739	2.9
69.03411	14.5
69.06728	3.7
69.07071	51.1
69.44570	5.3
69.44972	25.1
71.04975	10.0
79.05488	67.8
81.03410	8.6
81.07053	100.0
83.04973	11.0
83.08612	34.6
85.02899	7.9
85.06526	7.5
87.00813	3.7
91.05479	63.3
93.07044	70.0
95.04966	19.9
95.08601	62.9
97.02879	5.5
97.06512	24.8
97.09238	3.5
97.10170	28.5
99.08073	5.9
102.91029	3.2
103.05451	4.4
104.75284	3.3
105.07031	64.4
107.04941	7.8
107.07874	3.9
107.08594	51.3
109.06519	17.5
109.10149	30.4
111.04404	3.9
111.08062	10.9
117.07021	28.0
119.07788	5.2
119.08577	47.9
121.06486	9.9
121.10130	29.4
123.04407	3.6
123.08082	9.5
123.11678	9.2
125.09641	20.2
127.03983	5.2
128.06244	8.2
129.07002	12.4
131.08585	39.8
133.06477	4.7
133.10100	45.5
135.08055	11.3
135.11688	27.2
137.09583	9.7
139.11105	4.4
141.06972	9.1
143.08582	18.2
145.06465	5.9
145.10129	33.0
147.08044	7.2
147.11707	23.1
149.09607	16.6
149.13251	9.5
150.68488	3.6
151.11168	8.6
155.08572	9.2
157.10095	22.2
159.07996	5.1
159.11667	25.5
161.05963	14.3
161.09596	5.4
161.13260	9.3
163.03853	3.7
163.11195	9.2
167.08661	3.4
169.10095	9.1
171.11723	10.8
173.09602	4.6
173.11774	4.3
173.13216	12.0
175.11188	8.3
175.14748	4.7
177.12721	4.6
181.04884	4.7
181.10045	4.7
183.11661	9.7
185.09596	4.1
185.13219	9.4
187.14816	6.6
189.09081	3.3
189.11240	11.3
191.10585	4.8
195.11681	6.5
195.13684	3.5
197.13222	10.8
199.14792	8.6
203.10689	5.3
203.14267	3.9
209.13205	5.3
219.10213	6.8
229.19431	5.5
235.16853	6.2
239.17984	7.3
257.19006	7.8
273.18735	7.8
275.20050	76.0
277.21600	8.4
283.20474	4.1
289.21826	3.7
291.19553	10.6
293.21088	18.2
301.21729	5.6
303.23083	5.1
317.21237	4.5
327.23264	3.4
381.28088	3.4
399.28726	5.8
413.30319	4.2
425.30359	4.3
443.31226	4.8
451.31729	3.6
457.33023	4.1
461.32504	11.8
473.32333	11.8
475.33414	3.8
549.39410	7.7
567.40259	19.0
585.41229	13.3
603.29163	6.3
603.42523	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01864	10.5
55.05508	29.5
64.69110	2.7
65.03925	3.6
67.05501	46.4
67.05845	5.6
68.99783	6.8
69.07063	74.9
69.67748	11.5
69.68179	10.0
75.30779	2.7
79.05492	40.3
81.03413	4.6
81.07047	37.5
83.08619	9.0
91.05482	27.9
93.07030	36.6
93.37197	2.6
95.04970	9.1
95.08605	32.6
97.06519	6.2
97.10168	10.4
105.07025	30.7
107.04936	5.0
107.08584	27.7
109.06548	3.4
109.10149	22.3
115.05409	5.6
117.07059	9.0
119.08559	17.0
121.10127	16.2
123.04478	3.4
123.08099	3.7
123.11670	3.5
125.09630	9.8
127.03941	7.8
129.07025	6.6
131.08556	12.7
133.06529	3.9
133.10136	17.9
135.11671	7.1
137.02318	28.3
137.05977	3.4
137.09550	3.3
138.88304	3.0
141.06993	4.8
143.08549	4.0
145.10130	12.0
147.04395	8.6
147.08035	4.0
147.11673	10.3
149.05945	3.1
149.09613	5.0
155.08528	3.9
157.10161	4.7
159.11688	8.5
161.06042	3.4
165.06966	3.9
169.06464	3.7
171.11632	4.5
173.05951	7.0
173.09674	3.2
173.11745	6.6
173.13161	4.2
175.07568	3.2
175.11118	3.8
183.08087	3.5
185.13251	3.1
189.09280	3.1
189.11255	5.9
191.10652	5.3
197.13245	3.3
198.06764	4.0
199.07597	7.2
201.05508	4.1
210.06908	3.0
211.07565	9.7
217.08563	8.1
219.08133	4.3
223.07501	4.5
227.07016	5.1
237.09032	3.6
239.07019	12.9
243.06436	7.0
247.07703	4.5
248.08308	3.1
251.07080	7.7
251.19998	4.1
254.05716	5.5
255.06439	24.0
257.19037	4.4
263.07077	9.8
265.08762	5.1
266.05716	6.0
267.06512	73.5
268.07202	3.5
269.07965	3.8
271.05872	20.4
273.18561	4.1
275.07059	4.4
275.20041	41.3
277.08594	4.8
277.21661	10.7
278.05795	4.3
279.06534	31.3
280.07227	4.1
281.08145	6.1
288.23242	2.8
289.08505	5.3
291.06516	21.3
291.19559	6.5
292.07260	15.7
293.08063	13.3
294.08789	3.8
295.13275	8.2
303.06641	4.7
304.07251	5.5
305.08109	8.8
306.08841	3.8
307.09598	4.8
307.13055	3.2
311.12833	8.3
317.08109	7.1
319.09650	7.0
321.11310	3.6
323.12756	100.0
327.12350	15.2
331.09741	3.6
335.12723	12.0
347.12735	42.5
349.14130	8.6
359.12756	5.3
361.14294	12.5
373.14453	9.9
375.16016	8.1
387.15659	5.9
399.28918	3.6
402.18155	5.3
403.18973	3.7
415.19220	3.5
417.16693	4.1
429.20816	6.0
431.17166	4.1
431.22272	60.6
435.18182	4.6
437.19736	7.9
447.18045	13.4
449.19437	25.1
487.24799	8.7
503.24084	9.3
505.25974	15.8
515.24377	8.4
516.24982	15.8
517.25708	3.6
529.25568	10.6
567.31183	5.4
567.39417	3.8
585.31921	25.5
585.40338	4.6
603.33179	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76722	0.5
67.05486	0.9
69.03422	1.3
69.75538	1.4
69.75945	3.2
70.56205	0.6
72.08157	1.1
81.03432	1.3
81.07066	0.9
84.08175	0.7
85.02899	1.3
91.05499	0.9
95.08619	0.9
105.07017	1.4
107.08575	0.7
109.10155	0.9
119.08598	0.7
120.08107	1.0
121.06516	0.6
127.03910	1.2
136.07588	3.3
137.09650	1.0
163.04015	0.8
164.07097	1.8
185.04298	1.8
190.94139	0.6
425.13187	0.8
440.14340	1.2
441.15289	5.3
453.85419	0.6
536.22766	0.7
543.20679	1.5
603.20471	100.0
604.21295	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
51.32325	0.7
53.03945	1.0
55.01856	1.0
55.05516	0.6
57.03437	0.7
58.98603	0.5
67.05488	1.3
68.99776	0.7
69.03427	6.6
69.07050	1.3
70.06606	3.1
71.05003	1.2
71.42773	1.2
73.02911	1.2
77.03907	0.9
79.05484	1.4
81.03426	6.5
81.07038	1.4
83.04971	0.7
85.02906	7.5
87.00803	2.9
88.07615	2.2
91.05481	1.1
95.04970	1.4
95.08595	0.8
97.02886	2.5
99.04455	2.6
102.09196	1.8
105.01868	1.7
105.03392	15.0
105.07079	0.7
107.04965	1.0
107.08606	1.0
109.02884	5.3
112.15064	0.6
117.06992	0.9
119.08591	1.1
121.61517	0.6
123.04419	2.0
127.03913	6.0
131.65007	0.7
133.02855	28.4
137.02242	0.6
145.04939	1.2
145.10153	0.8
149.02339	4.3
150.02658	1.6
151.03894	5.1
159.02910	2.6
161.02316	0.7
163.03894	20.5
164.04344	0.7
165.05510	0.7
171.07881	0.8
179.03445	0.6
179.06964	0.7
180.06476	0.6
181.04955	95.9
182.05319	1.4
193.04939	4.0
194.05396	2.0
200.20122	5.7
201.20444	2.3
203.10725	1.6
204.43959	0.6
210.06790	1.5
219.10162	100.0
220.10503	1.6
220.36215	0.5
223.07590	3.0
237.07626	1.3
238.06178	3.3
251.07074	7.0
266.05737	4.2
281.08078	41.6
282.08536	0.8
287.08945	0.8
299.09100	6.6
337.14355	2.3
355.15396	22.4
356.15643	1.1
385.09000	1.1
386.09460	1.6
429.11850	1.1
430.11929	2.9
603.30029	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
56.96561	21.3
57.65691	2.3
61.81568	2.4
65.03954	2.6
67.05507	3.5
67.14384	2.3
67.68193	2.6
69.03420	6.9
69.07051	2.5
70.98117	2.8
71.58157	3.0
78.74918	2.4
79.05482	5.3
81.03416	10.4
81.07061	6.0
84.96029	15.3
85.02916	7.7
87.00797	3.5
91.05486	6.7
93.07025	7.2
93.89869	2.4
95.04949	4.8
95.08599	4.9
97.02901	5.5
97.06505	3.3
98.97574	26.4
99.04443	3.3
105.01880	3.3
105.07034	7.6
107.04950	64.5
107.05624	4.4
107.08586	7.3
109.02882	6.9
109.06493	3.2
109.10164	8.2
116.98613	21.0
119.04932	2.7
119.08607	5.2
121.10141	3.3
123.04441	3.0
127.03929	7.2
128.98613	9.5
129.06993	2.5
129.62367	2.6
133.10182	5.6
134.99715	5.9
135.11681	5.9
137.05968	2.9
137.09615	2.8
140.88954	2.6
143.00203	7.3
145.06494	2.9
146.99699	7.5
147.08081	2.5
149.05989	4.0
149.09538	2.5
158.99687	3.7
161.01228	8.5
161.02399	4.7
161.06007	7.3
162.99199	3.4
163.03973	3.2
163.07585	11.0
171.08041	3.4
173.05937	2.9
177.00761	4.6
179.07056	9.1
181.08510	2.9
185.09401	3.3
189.05461	3.4
189.09143	3.8
195.03326	3.4
197.01210	2.6
201.05554	3.0
203.10789	2.6
211.02869	3.5
213.04279	3.7
217.08566	5.6
219.01657	3.0
219.10219	4.6
223.02910	4.9
225.04256	14.6
229.03731	2.7
231.10179	6.1
237.02538	5.3
239.05867	27.1
240.02911	2.6
241.03827	13.1
243.05449	15.4
249.04356	4.9
249.11418	11.9
253.03899	5.9
255.05377	35.6
257.06937	32.6
257.09448	2.9
259.04797	3.0
261.06540	4.9
263.05991	10.4
267.05334	26.1
270.23315	2.9
271.04929	5.7
273.06485	13.5
275.08258	3.3
279.05466	4.3
281.06958	50.8
285.06534	7.5
290.06876	3.8
293.06992	4.6
295.04968	3.1
297.06488	10.9
299.08041	32.8
309.06479	11.3
311.08160	3.0
321.06473	7.6
323.08063	8.9
337.14294	34.1
355.15378	44.1
381.08502	25.1
387.09683	10.0
399.09634	100.0
411.09540	13.5
417.10544	13.5
422.11166	7.1
423.03818	2.6
423.04999	1.7
423.09610	95.2
429.10611	25.3
441.10693	97.9
464.12323	5.5
467.09650	9.5
517.14087	4.0
559.15631	24.6
603.14740	98.9
603.30676	7.0
604.15570	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
56.96561	21.3
57.65691	2.3
61.81568	2.4
65.03954	2.6
67.05507	3.5
67.14384	2.3
67.68193	2.6
69.03420	6.9
69.07051	2.5
70.98117	2.8
71.58157	3.0
78.74918	2.4
79.05482	5.3
81.03416	10.4
81.07061	6.0
84.96029	15.3
85.02916	7.7
87.00797	3.5
91.05486	6.7
93.07025	7.2
93.89869	2.4
95.04949	4.8
95.08599	4.9
97.02901	5.5
97.06505	3.3
98.97574	26.4
99.04443	3.3
105.01880	3.3
105.07034	7.6
107.04950	64.5
107.05624	4.4
107.08586	7.3
109.02882	6.9
109.06493	3.2
109.10164	8.2
116.98613	21.0
119.04932	2.7
119.08607	5.2
121.10141	3.3
123.04441	3.0
127.03929	7.2
128.98613	9.5
129.06993	2.5
129.62367	2.6
133.10182	5.6
134.99715	5.9
135.11681	5.9
137.05968	2.9
137.09615	2.8
140.88954	2.6
143.00203	7.3
145.06494	2.9
146.99699	7.5
147.08081	2.5
149.05989	4.0
149.09538	2.5
158.99687	3.7
161.01228	8.5
161.02399	4.7
161.06007	7.3
162.99199	3.4
163.03973	3.2
163.07585	11.0
171.08041	3.4
173.05937	2.9
177.00761	4.6
179.07056	9.1
181.08510	2.9
185.09401	3.3
189.05461	3.4
189.09143	3.8
195.03326	3.4
197.01210	2.6
201.05554	3.0
203.10789	2.6
211.02869	3.5
213.04279	3.7
217.08566	5.6
219.01657	3.0
219.10219	4.6
223.02910	4.9
225.04256	14.6
229.03731	2.7
231.10179	6.1
237.02538	5.3
239.05867	27.1
240.02911	2.6
241.03827	13.1
243.05449	15.4
249.04356	4.9
249.11418	11.9
253.03899	5.9
255.05377	35.6
257.06937	32.6
257.09448	2.9
259.04797	3.0
261.06540	4.9
263.05991	10.4
267.05334	26.1
270.23315	2.9
271.04929	5.7
273.06485	13.5
275.08258	3.3
279.05466	4.3
281.06958	50.8
285.06534	7.5
290.06876	3.8
293.06992	4.6
295.04968	3.1
297.06488	10.9
299.08041	32.8
309.06479	11.3
311.08160	3.0
321.06473	7.6
323.08063	8.9
337.14294	34.1
355.15378	44.1
381.08502	25.1
387.09683	10.0
399.09634	100.0
411.09540	13.5
417.10544	13.5
422.11166	7.1
423.03818	2.6
423.04999	1.7
423.09610	95.2
429.10611	25.3
441.10693	97.9
464.12323	5.5
467.09650	9.5
517.14087	4.0
559.15631	24.6
603.14740	98.9
603.30676	7.0
604.15570	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	59.2
58.42752	4.0
66.50727	4.2
67.05520	4.9
69.03414	6.9
69.07063	8.8
69.44369	25.8
69.44786	9.5
73.31576	3.4
78.44431	3.5
80.23215	3.8
81.03374	4.3
81.07049	12.8
85.02891	8.5
86.06062	20.2
88.99178	5.0
91.05475	11.0
93.07032	9.2
95.04959	6.3
95.08619	10.2
97.02884	5.1
98.97596	13.8
99.08100	3.6
105.07049	8.9
107.08572	5.9
109.02921	6.7
109.06532	4.9
109.10155	14.0
110.75350	3.9
116.10736	19.1
116.98621	15.2
119.08602	9.9
121.10139	6.1
133.10065	4.6
134.99640	10.7
135.11699	13.5
145.10147	4.5
147.04433	9.1
147.11687	6.2
153.00600	6.6
157.10117	4.4
159.11678	4.6
161.01167	4.3
163.03857	5.3
163.07559	15.8
165.09109	8.0
175.03906	7.7
175.11223	6.7
175.14822	8.6
193.12227	4.5
193.15868	8.8
197.01276	4.8
207.03322	7.6
210.27144	3.6
211.02835	6.9
211.16898	5.2
213.04337	10.0
217.08702	5.5
223.02809	11.9
225.04343	72.2
231.05585	3.9
237.02571	6.7
239.05940	25.9
240.02983	6.4
241.03868	19.0
243.05411	100.0
255.05389	66.9
257.06927	39.7
259.04947	5.8
261.06525	14.0
266.07059	6.5
267.05490	9.0
273.06339	27.8
278.06976	3.7
279.05591	8.8
281.06888	43.7
293.06909	5.4
297.06445	13.9
299.07990	31.6
323.07898	9.0
326.23209	18.8
327.23471	13.2
333.06580	6.2
337.14511	6.4
339.07700	5.7
355.08530	19.7
355.15524	10.0
363.07462	4.2
373.09573	63.5
381.08490	24.0
391.10733	24.1
393.08646	9.7
396.11139	6.7
397.09552	21.3
399.09555	10.4
415.10532	18.8
423.09781	24.8
499.12805	19.3
517.13800	18.3
559.15521	33.6
559.30768	6.0
585.28381	10.9
603.14679	73.9
603.28790	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05503	2.4
56.96897	0.8
57.03436	1.1
61.02922	1.7
62.06079	1.7
62.19711	0.9
67.05498	5.0
69.03429	10.8
69.07076	5.7
70.06586	2.1
71.04979	2.0
72.08153	2.8
73.02924	2.2
76.77208	0.9
79.05498	3.8
81.03417	5.7
81.07053	8.9
83.04989	1.2
83.08627	1.3
84.04478	1.0
84.08146	1.6
85.02905	17.3
85.06551	1.5
86.06074	12.4
86.09698	2.1
87.04462	4.6
91.05455	4.3
93.07047	3.4
95.04975	2.4
95.08633	4.3
96.08118	3.8
97.02896	6.5
97.06512	2.2
98.06059	4.0
98.09670	2.0
99.04439	3.2
105.07017	5.8
107.04959	2.1
107.08572	4.8
108.08059	2.2
109.02885	3.9
109.06493	2.0
109.10165	3.4
110.09681	1.0
116.10735	12.8
118.06549	1.0
119.04906	0.9
119.07327	2.3
119.08595	3.2
120.08141	10.2
121.06523	1.0
121.08418	2.4
121.10149	1.7
123.04413	1.5
123.08087	1.3
123.11739	1.6
124.07579	1.7
126.05490	1.0
127.03916	5.8
131.08614	1.5
133.10162	4.9
134.09648	27.3
134.10649	1.5
135.08035	1.3
135.09998	9.9
135.11688	2.9
136.07562	1.0
137.05992	1.9
137.09634	1.4
138.09122	1.9
142.08629	11.1
145.04985	1.6
147.04344	1.3
147.11693	3.7
149.02373	2.4
150.12769	1.0
151.07591	0.9
151.11221	3.1
154.12289	2.0
157.10150	1.6
158.11702	1.0
159.11681	1.0
161.83333	0.9
163.03970	1.0
165.69513	1.0
166.12175	0.9
175.11232	1.7
175.14856	1.6
189.09129	1.2
192.13892	1.7
194.15422	1.6
202.16019	1.0
208.16986	1.3
210.18503	18.6
212.16455	62.4
213.16603	1.2
221.11671	1.0
236.16452	14.7
239.12877	1.3
254.17467	8.4
272.18555	100.0
272.85764	0.9
273.18988	1.4
308.22043	1.4
326.23254	14.8
344.24524	1.3
353.10034	1.2
354.10385	2.3
355.11365	1.1
370.18378	0.9
374.21735	63.6
379.24844	1.5
409.22729	1.1
434.23965	3.1
440.30023	10.1
468.21017	2.5
469.21851	6.8
488.28534	2.8
558.29608	1.3
565.27655	0.9
571.25757	2.5
602.29272	2.0
602.35986	11.2
603.29456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71907	3.3
53.03931	9.8
55.01867	15.0
55.05507	25.7
57.03426	3.6
57.07067	10.0
65.03934	4.6
67.05504	41.1
67.28800	3.0
69.03419	13.3
69.07066	35.6
71.05294	6.0
71.05647	6.2
79.05488	46.1
81.03418	8.7
81.07057	62.5
83.04979	22.0
83.08635	15.0
83.38386	2.9
84.33309	2.8
85.06538	7.3
91.05475	73.9
93.06473	6.4
93.07039	85.6
95.04967	27.0
95.08595	48.4
97.06528	28.5
97.10143	3.1
99.19640	2.8
104.30334	3.2
105.07028	100.0
107.04956	28.9
107.08578	65.7
109.06529	15.0
109.10159	25.7
111.04425	3.6
111.08093	7.2
115.05471	6.2
117.07013	26.7
119.08578	87.4
120.08899	5.2
121.06511	13.7
121.10138	76.4
123.08089	19.6
123.11671	10.1
125.05941	3.7
125.09641	12.2
128.06216	11.6
129.07014	14.7
130.07768	7.9
131.08566	44.7
133.06543	5.1
133.10120	51.1
135.08066	19.8
135.11708	18.9
137.09619	14.1
139.07602	3.2
139.11116	8.5
141.06967	12.8
141.76593	2.9
142.07793	18.3
143.08554	43.2
144.09291	6.4
145.06491	3.5
145.10118	70.6
147.08040	16.7
147.11674	20.9
149.09644	30.9
149.13217	3.7
151.07541	9.7
154.07809	3.2
155.08568	14.5
155.10640	3.0
156.09308	12.0
157.10133	47.6
158.10710	6.2
159.08076	9.0
159.11684	34.5
161.09595	16.3
161.13322	7.9
163.04645	3.0
163.11169	12.2
165.07005	7.4
165.09114	20.7
167.08556	8.6
167.10666	32.7
168.09308	3.9
169.10101	23.3
170.10866	6.2
171.08080	3.5
171.11662	35.0
173.09663	6.9
173.13213	24.2
175.11183	11.4
175.14815	8.8
179.08536	9.2
179.10825	3.0
180.09273	6.9
181.10132	11.0
181.12234	6.8
182.10953	8.3
183.11676	20.6
184.12344	3.4
185.09587	5.2
185.13185	17.6
187.11162	7.7
187.14790	8.4
189.12730	8.9
189.17686	3.0
191.14317	4.3
193.10109	14.9
193.12102	4.8
194.10876	6.8
195.11728	22.0
196.12253	4.7
197.13249	20.8
198.13550	4.9
199.11115	5.0
199.14793	13.9
201.12775	5.5
201.16365	4.8
203.14268	8.5
205.10045	4.4
206.10896	7.6
207.11694	10.3
207.13728	7.2
208.12378	5.1
209.13281	19.6
209.15121	4.3
211.11243	3.3
211.14766	14.1
213.12791	3.4
213.16325	5.3
219.11658	6.1
219.17421	25.8
220.12354	6.3
221.13268	13.0
221.15376	38.8
222.13838	3.7
222.15836	3.7
223.14812	16.3
225.16527	5.4
227.14137	4.3
231.11659	3.9
233.13306	6.5
233.15395	12.3
235.14861	10.1
236.15535	3.4
237.16470	5.6
239.17973	5.7
245.13300	3.5
245.18997	6.6
246.11389	3.7
247.14638	5.7
247.16917	5.7
251.18001	5.2
253.19443	3.6
257.19122	5.0
261.16287	4.9
262.16803	3.7
263.17929	6.8
269.18958	5.6
270.19504	3.3
273.18497	9.0
275.20142	27.3
283.20486	3.2
287.20029	5.3
291.19476	45.8
292.19949	3.3
295.20447	5.4
299.20209	3.8
301.21762	5.6
313.21539	4.3
349.25201	4.2
352.23758	4.7
353.24225	6.3
366.25311	5.4
409.28851	3.8
453.18738	3.9
502.67212	3.0
521.35376	4.6
583.41394	5.5
601.42328	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01878	6.8
55.05506	33.0
57.03421	5.0
57.07057	14.6
65.03917	4.1
67.05500	51.3
69.03412	15.1
69.07059	30.3
69.29372	9.0
69.29777	28.3
71.04972	3.4
71.08627	5.0
79.05492	54.9
81.03410	7.5
81.07054	71.4
83.04969	25.4
83.08610	16.5
85.06528	7.2
87.04433	3.5
91.05465	66.1
93.07042	97.5
95.04958	29.5
95.08603	63.6
97.06512	12.2
97.10171	6.3
103.05426	7.2
105.07024	100.0
107.04930	17.3
107.08591	86.8
109.06505	30.5
109.10143	34.0
111.08025	8.3
113.06029	3.2
113.09674	3.8
115.05457	8.0
117.07025	28.4
119.08582	88.0
121.06505	16.0
121.10134	88.2
123.08057	19.3
123.11677	13.1
125.09615	14.9
128.06210	12.3
129.07011	22.9
130.07748	7.5
131.08562	47.4
133.06432	7.1
133.10135	58.0
135.08054	26.8
135.11678	25.8
137.09575	10.2
139.11172	4.8
141.06973	11.0
142.07805	21.7
143.08554	37.9
144.09348	7.4
145.06514	5.7
145.09052	5.1
145.10114	69.0
147.08023	17.1
147.11693	23.7
149.09625	24.0
149.13260	5.4
151.07567	5.3
151.11179	4.8
153.07051	4.1
153.09148	3.5
155.08540	16.8
155.10538	4.2
156.09341	18.3
157.10135	49.4
158.10823	5.2
159.08029	15.4
159.11694	48.0
161.09622	20.0
161.13214	10.2
163.11185	7.4
165.06978	6.6
165.09090	15.0
167.08522	8.3
167.10664	46.4
168.09299	8.2
169.10107	30.1
170.10919	10.0
171.11681	34.7
173.09621	9.2
173.13263	26.8
175.11186	11.7
175.14787	17.5
179.08528	10.2
180.09303	3.8
181.10124	17.1
181.12175	7.8
182.10835	6.5
183.11700	19.5
185.09706	5.1
185.13271	16.7
187.11102	10.4
187.14801	8.3
189.12730	10.8
191.14267	9.0
193.10062	10.7
194.10785	8.1
195.11668	21.0
196.12497	5.3
197.13277	20.2
199.11082	6.2
199.14850	11.8
201.16452	5.8
203.14265	8.1
205.15884	4.7
206.10851	6.0
207.11626	11.3
207.13544	3.8
208.12410	7.8
209.13290	24.9
209.15021	5.3
211.14816	13.7
213.12708	4.7
213.16264	6.1
215.14230	4.9
217.15826	7.0
218.10828	3.6
219.11646	5.6
219.17329	4.3
221.13199	15.7
221.15359	22.1
223.14778	12.8
224.15514	4.1
225.16301	5.5
227.17952	3.5
231.11745	4.7
233.13145	8.7
233.15352	24.5
235.14799	8.2
236.15352	4.3
237.16437	8.4
239.17920	5.2
245.13243	6.3
249.16298	7.1
251.18027	4.5
255.17496	4.6
257.19241	8.1
259.20572	5.2
261.16385	4.4
269.18973	10.3
271.12976	4.7
273.18561	16.9
275.20187	23.8
281.19040	3.6
283.20416	5.8
287.17499	4.6
291.19504	48.5
293.21075	7.7
362.64529	4.6
565.39386	5.0
583.40790	10.7
601.42194	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01876	20.3
55.05505	28.6
57.07060	11.0
59.03061	3.6
59.04993	5.1
59.71503	4.2
62.60928	3.6
65.03932	4.7
67.05502	50.8
69.03418	15.5
69.07066	43.0
70.84305	8.3
71.04987	4.2
72.67486	4.5
72.92208	4.4
79.05487	48.3
81.03408	12.4
81.07051	60.4
83.04984	22.0
83.08607	26.5
85.06541	6.5
91.05475	62.9
93.07043	98.6
95.04967	27.6
95.08598	65.8
97.06526	44.4
105.07026	99.2
107.04956	45.5
107.08588	100.0
109.06530	18.6
109.10148	30.7
111.04435	15.1
111.08009	4.6
113.09646	4.6
115.05440	11.4
117.07030	24.6
119.08578	89.0
121.06500	20.8
121.10133	72.6
123.08057	17.3
123.11609	8.3
125.09634	15.5
128.06235	18.3
129.07001	18.6
130.07780	5.9
131.08575	48.3
133.06458	9.9
133.10117	62.1
135.08020	24.8
135.11679	20.7
137.09578	14.2
139.11191	12.0
141.06967	11.2
142.07741	15.9
143.08549	33.1
144.05830	3.7
144.09247	6.0
145.06506	5.5
145.10103	57.5
145.11145	4.9
147.08043	16.4
147.11734	30.5
149.09625	42.6
149.13277	5.0
151.07565	4.8
151.11227	6.9
152.70192	4.4
153.09090	8.2
155.08551	22.6
155.10619	6.4
156.09299	12.7
157.10152	47.1
158.10725	4.7
159.08058	17.7
159.11708	37.2
161.09630	18.2
161.13272	9.0
163.11205	6.6
165.06960	4.5
165.09099	9.6
167.08502	5.7
167.10661	46.8
168.09456	5.5
169.10095	21.8
170.10892	6.7
171.11690	29.7
173.09584	7.3
173.13223	27.2
175.11191	11.5
175.14864	9.2
179.08553	12.3
180.09288	7.1
181.10056	5.9
182.10895	6.6
183.11671	21.3
185.13223	16.0
187.11168	6.1
187.14774	6.7
189.12743	9.7
191.14191	6.0
193.10144	17.3
193.12053	4.3
194.10962	9.1
195.11684	17.5
195.13586	7.0
196.12338	8.2
197.13216	20.0
199.14786	16.7
201.12836	4.9
201.16284	4.6
203.14278	9.1
207.11690	10.8
209.13214	16.9
211.14894	11.8
213.12698	6.7
217.15927	5.5
221.13161	11.4
221.15402	22.5
223.14767	10.4
225.12752	5.7
225.16292	9.1
227.17970	4.3
230.22839	4.8
233.13361	6.0
233.15350	28.6
235.14720	6.6
237.16451	6.8
239.17911	9.5
243.11707	5.2
245.19084	6.0
247.14774	7.8
255.17342	5.3
257.18976	9.2
269.19077	6.5
273.18509	29.6
275.20148	42.9
283.20758	6.8
289.19669	4.8
291.19501	98.9
293.21054	13.6
309.20569	4.4
325.53934	4.4
347.76721	3.9
583.40503	6.9
601.42059	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.2
55.01873	6.2
55.05511	29.2
55.81379	4.5
56.57322	4.1
57.07065	15.6
59.05003	4.6
65.03931	5.2
67.05497	37.3
69.03427	13.1
69.07075	28.9
69.33308	43.7
71.08630	7.3
79.05495	49.3
79.63345	3.8
79.93510	4.5
81.03413	8.8
81.07060	59.0
81.59545	4.7
83.04984	25.4
83.08616	17.9
85.81168	3.9
87.04488	6.3
89.06037	9.6
91.05479	75.9
93.07041	100.0
95.04968	38.0
95.08598	57.8
97.06525	17.8
99.04381	4.6
103.05476	8.2
105.07027	96.8
107.04945	24.8
107.08588	82.5
109.06500	17.5
109.10150	36.3
111.08102	4.7
113.09666	4.6
115.05439	5.0
117.07024	28.9
119.08579	92.9
121.06493	14.2
121.10142	80.5
123.08026	20.5
123.11698	9.4
124.65429	4.4
125.09624	15.0
128.06242	13.3
129.07001	26.0
130.07761	8.8
131.08560	45.6
133.08580	7.7
133.10109	63.7
135.08031	26.9
135.11688	26.9
137.09610	19.8
139.11172	10.8
141.06958	8.7
142.07758	18.0
143.08585	48.1
144.09270	13.2
145.06471	5.1
145.10115	66.8
147.08031	13.7
147.11691	29.5
149.09618	26.1
149.13274	5.4
151.07509	7.4
151.11243	6.7
153.06976	4.2
153.09158	5.6
154.07744	5.1
155.08557	16.0
156.09309	21.9
157.10120	60.6
158.10831	9.1
159.08064	15.8
159.11667	48.0
161.09596	20.8
161.13264	10.5
163.11215	7.3
165.06953	7.5
165.09158	11.3
166.07816	4.9
167.08556	11.0
167.10667	63.0
168.09361	6.8
169.10123	26.1
170.10863	12.2
171.07959	4.8
171.11703	30.5
171.12915	5.3
172.12137	4.2
173.09586	5.8
173.13254	18.5
175.11169	10.6
175.14832	15.3
177.12793	6.4
179.08588	9.4
181.10138	17.1
182.10858	8.8
183.11667	20.6
184.12219	5.9
185.13222	20.6
187.14799	13.1
189.12732	11.6
191.14372	5.1
193.10152	10.8
194.10823	11.1
195.11725	24.0
196.12361	6.9
197.13266	22.0
199.14777	8.5
201.16318	8.4
203.14380	5.4
207.11694	14.9
208.12323	5.1
209.13239	20.5
209.15108	4.8
211.14818	19.9
215.14439	7.6
220.12483	7.4
221.13266	11.2
221.15338	17.0
223.14862	10.5
225.16368	8.1
226.47975	4.8
231.11674	6.0
233.15381	39.3
235.14786	9.4
241.15823	5.8
245.13399	6.8
247.14716	6.8
249.16415	6.3
251.18002	5.3
257.18854	6.5
261.16333	6.0
265.19476	5.3
269.18954	7.6
273.18533	14.9
275.20087	14.6
285.18610	6.5
291.19571	23.9
293.21039	16.3
314.29254	4.8
411.27014	4.8
534.50043	4.0
583.40405	12.9
601.42542	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
53.39864	5.8
55.05495	18.7
57.07054	12.8
67.05507	49.4
69.03429	10.7
69.07062	36.6
70.22210	26.4
72.32327	6.4
74.91602	5.6
79.05470	47.3
80.86021	7.9
81.03405	6.7
81.07056	74.7
83.04980	14.8
83.08600	28.5
85.06537	12.7
91.05487	65.3
93.07044	95.1
95.04973	34.2
95.08591	53.6
97.06526	27.5
97.10148	6.4
103.05472	8.5
105.07036	100.0
107.04940	10.8
107.08583	85.0
109.06489	19.7
109.10178	43.7
109.10808	8.0
115.05444	10.1
117.06998	23.1
119.08572	92.6
121.06499	18.5
121.10136	90.3
123.08055	20.2
123.11680	13.8
125.09625	15.6
128.06256	11.9
129.06984	23.4
130.07774	12.5
131.08571	46.6
133.06389	8.3
133.10138	71.3
135.08034	19.2
135.11714	23.7
137.09605	16.1
139.11160	8.5
142.07751	19.6
143.08580	37.0
144.09326	9.1
145.06479	7.5
145.10130	74.1
147.08070	9.5
147.11678	19.3
149.09612	26.9
151.07558	11.2
155.08548	18.3
155.10716	13.7
156.09361	22.9
157.10124	60.5
159.08018	20.0
159.11673	37.1
161.09607	17.2
161.13234	8.9
163.11188	10.0
165.07034	9.1
165.09103	15.0
167.10716	48.6
168.09357	10.8
169.10120	28.5
170.10881	7.0
171.11707	34.8
173.09607	7.9
173.13329	30.2
175.11203	12.0
175.14815	10.4
179.08536	10.3
181.10095	11.8
182.10916	12.3
183.11685	22.7
185.13263	22.5
189.12691	8.7
193.10121	15.2
195.11720	20.1
197.13232	30.6
199.14828	16.4
201.16370	14.8
207.11746	14.6
209.13223	21.4
210.13792	10.5
211.14885	20.3
215.14212	11.2
221.13284	15.1
221.15375	23.8
223.14793	12.8
227.14294	9.3
231.11621	8.0
233.15326	20.9
235.14754	11.7
250.16530	7.0
255.17184	7.3
261.16302	8.4
265.19608	9.3
269.19104	6.7
275.19952	11.2
291.19556	11.7
297.54321	8.4
321.99973	7.5
341.30502	26.0
384.46509	6.8
522.83612	6.4
567.30322	7.1
583.41406	14.8
601.41888	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.05498	7.2
55.53651	2.5
57.07067	6.8
60.98428	2.2
67.05492	16.2
69.03422	9.6
69.07055	7.3
70.83904	4.1
70.84254	5.4
79.05486	17.7
81.07055	18.6
83.04985	4.7
85.06557	3.9
91.05473	25.9
92.79758	2.9
93.07033	34.0
95.04960	10.8
95.08614	21.4
95.75769	2.6
97.06549	3.1
105.07024	42.6
107.04958	7.2
107.08583	19.7
109.06511	8.9
109.10157	8.1
111.08105	3.8
117.06991	12.0
119.08562	45.3
121.06484	4.7
121.10148	20.4
123.08054	14.3
123.11731	3.0
125.05989	5.2
128.06203	4.9
129.06978	8.8
130.07645	3.6
131.08546	16.5
133.10144	18.4
135.08054	14.5
135.11681	9.4
137.09625	13.8
141.06989	5.0
142.07755	7.5
143.08563	21.6
144.09143	2.7
145.10114	24.3
147.08041	21.4
147.11678	7.3
148.08438	2.9
149.09639	6.1
151.07545	15.0
153.09045	3.7
155.08565	4.7
156.09325	4.8
157.10132	20.7
159.08109	3.8
159.11687	19.6
161.09685	5.5
161.13245	6.0
163.11160	7.3
165.09097	43.7
166.09532	2.8
169.10080	7.4
170.10948	3.4
171.11667	11.0
173.13341	4.6
175.11177	7.0
175.14786	3.9
176.15222	2.6
177.12746	2.7
181.10098	5.7
181.12213	11.8
183.11668	9.1
185.13219	7.2
187.14767	5.1
189.12691	6.7
191.10884	3.1
195.11720	3.7
197.13235	6.6
203.14281	12.4
207.11826	5.8
207.13789	5.7
208.14442	3.3
208.89063	2.4
209.13341	5.4
211.14713	3.1
221.15338	100.0
222.15628	13.1
223.14812	3.8
235.19049	2.6
238.39037	2.8
239.17973	3.3
247.16960	6.4
248.17416	3.1
275.20004	8.2
287.19998	5.1
299.20215	5.0
300.20746	3.2
301.21603	5.5
353.24442	5.5
367.26544	5.5
393.27844	4.0
440.29507	4.5
441.29520	8.1
491.35193	10.4
521.35565	6.4
583.41150	11.1
601.42444	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.4
55.86393	5.8
57.07059	11.0
58.49833	5.1
64.60490	5.4
67.05495	16.0
69.03432	7.2
71.20190	11.2
79.05491	10.6
81.07055	14.2
91.05489	26.9
93.07050	36.6
95.08601	23.7
105.07024	48.0
105.87300	5.9
107.08592	19.9
109.06528	8.5
110.86609	5.2
117.07024	10.9
119.08571	50.1
121.10120	21.3
123.08062	22.1
126.34406	5.7
128.06197	7.2
129.06987	5.7
131.08536	23.2
133.10126	23.8
135.08035	18.4
135.11714	11.4
137.09607	14.7
142.07770	10.2
143.08542	19.2
145.10081	30.4
147.08049	26.2
149.09634	6.9
151.07542	17.1
155.08549	7.5
156.09259	9.9
157.10117	22.2
159.11708	16.4
160.12123	5.9
161.09567	6.4
161.13286	6.7
162.83247	7.2
165.09106	35.4
169.10069	14.7
171.11639	16.4
175.14786	6.7
183.11592	10.0
189.12755	9.1
197.13295	8.9
203.14258	17.8
209.13214	7.0
221.13353	12.2
221.15356	100.0
222.15680	12.1
234.16237	6.7
248.09306	6.2
341.51691	6.4
353.24356	8.7
383.04239	6.3
491.34979	9.2
521.35681	13.5
580.60663	6.4
601.42957	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18594	2.0
53.03942	6.1
55.01870	20.7
55.05512	20.6
57.07056	3.0
65.03933	3.0
65.32385	2.0
67.05177	3.1
67.05508	39.8
69.03421	3.6
69.07069	32.7
71.04992	4.4
73.45702	1.9
79.05493	44.8
81.03419	12.4
81.07056	55.3
83.04977	14.4
83.08614	6.8
85.06530	5.2
91.05476	42.8
93.07045	46.1
95.04948	12.2
95.08609	32.8
97.06525	31.3
97.10142	5.4
98.20657	3.2
99.04434	4.4
105.07024	34.0
107.04955	64.2
107.08581	33.7
109.06532	17.5
109.10171	16.2
111.04446	9.9
111.08062	2.9
115.05422	2.6
117.07043	16.0
119.08578	35.5
121.06503	6.5
121.10161	19.8
123.04465	2.6
123.08092	9.1
123.11712	3.5
125.09650	4.2
129.06976	6.5
131.08562	19.0
133.06493	3.9
133.10110	21.4
135.08028	15.9
135.11708	9.1
137.09599	9.2
141.06958	2.5
143.08557	9.0
145.10135	14.0
147.07994	5.8
147.11707	12.4
149.08432	2.9
149.09618	47.5
149.13298	6.8
151.11172	4.2
153.09103	4.2
157.10121	5.0
159.11684	13.6
161.09613	7.8
161.13304	5.5
163.11221	11.0
163.14822	3.6
165.09114	3.3
165.12762	2.5
169.10129	4.0
171.11734	5.9
173.11836	3.0
173.13280	6.7
175.11156	5.1
177.12733	3.2
179.10564	3.2
183.11617	4.7
189.11224	3.5
189.12773	3.5
195.13828	2.8
199.14830	3.4
203.12740	2.8
213.16400	2.7
215.14265	2.5
221.11845	2.9
229.19608	3.9
239.17862	3.2
242.00084	2.3
247.20648	5.9
252.72150	2.3
255.17476	2.1
257.19012	9.0
263.19876	3.1
273.18518	21.9
274.18903	2.5
275.20074	74.4
291.19550	100.0
293.21173	4.2
301.20020	3.9
309.20587	6.6
375.24890	7.7
497.19211	2.1
556.33746	2.6
565.39130	2.3
583.40021	3.3
601.41016	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01862	12.8
55.05512	29.8
55.57769	3.0
55.96861	3.2
57.03430	8.4
61.18386	3.6
65.03941	3.2
65.25237	3.0
67.05501	54.2
69.03428	8.1
69.07069	35.1
70.19629	13.3
71.04987	14.1
73.02892	3.2
79.05492	52.9
79.56326	3.6
81.03406	9.1
81.07058	50.9
83.04952	3.7
83.08609	15.2
83.11452	3.1
85.02873	4.0
85.06528	6.0
91.05476	51.2
93.07036	66.0
95.04964	15.6
95.08608	100.0
97.06551	16.5
97.10146	9.4
99.04472	3.6
99.08086	4.5
105.07027	47.7
107.04944	8.4
107.08570	35.1
109.06510	15.0
109.10160	34.3
111.08064	5.1
115.05463	4.5
117.07010	25.1
119.08569	43.6
120.42462	3.9
121.06513	5.2
121.10112	15.1
123.08083	9.8
123.11720	3.7
125.09598	6.0
128.06168	3.4
129.06995	20.6
131.08565	35.9
133.06563	3.6
133.10143	22.9
135.08017	8.3
135.11647	7.4
135.91315	3.5
137.09627	29.5
139.11076	4.0
141.07001	7.2
142.07747	5.8
143.08545	20.3
145.06465	4.5
145.10112	28.0
147.08054	8.5
147.11691	15.5
149.09644	10.5
153.09058	8.3
155.08575	15.9
155.10654	6.8
157.10100	16.0
159.11728	19.0
161.09648	7.8
161.13235	9.3
163.11119	5.8
165.09146	8.4
167.08559	5.8
169.10123	13.5
171.11670	11.4
173.09677	4.6
173.13275	7.3
175.11177	4.4
179.10754	3.9
183.11736	8.9
185.09573	4.2
185.13252	12.1
187.11098	4.6
187.14825	5.1
189.12727	3.5
193.12349	3.8
197.13307	5.4
199.14792	3.7
201.12769	5.8
203.14252	6.5
205.15813	4.0
207.11656	3.7
209.13177	4.8
211.14966	3.7
213.16347	4.4
221.15347	8.3
227.17841	3.7
235.16933	5.0
257.18851	6.4
261.18549	3.4
271.20505	4.0
273.18524	6.1
275.20041	30.7
277.21420	3.3
289.36160	3.9
291.19464	17.4
293.21115	3.7
377.23483	4.3
431.18771	12.4
431.31317	3.9
547.37756	6.1
565.39148	6.7
583.39758	10.2
600.75104	3.5
601.40570	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01877	23.5
55.05515	19.2
57.07062	3.0
65.03948	2.4
67.05503	39.7
69.07072	34.6
71.03523	5.2
71.05001	2.9
75.44810	2.2
79.05495	43.2
79.05918	4.5
81.03410	13.4
81.07063	58.3
83.04976	14.2
83.08616	7.6
85.02905	4.2
85.06522	3.0
91.05486	42.6
93.07050	43.3
95.04954	14.2
95.08621	28.6
97.06534	27.6
97.10175	6.5
99.04449	3.9
105.07035	36.1
107.04961	67.7
107.08606	25.7
109.06528	14.4
109.10169	17.7
111.04462	11.3
111.08115	3.6
115.05454	3.6
117.07037	17.2
119.08596	35.1
120.08933	2.6
121.06476	8.3
121.10105	20.7
123.08089	5.2
125.09631	4.4
127.53609	2.3
128.06248	3.1
129.07019	8.5
131.08580	22.9
133.06548	2.3
133.10124	26.4
135.08052	16.3
135.11702	5.8
137.09645	6.2
138.93053	2.4
139.11200	4.9
143.08556	7.5
145.10146	15.7
147.08081	4.1
147.11658	11.9
149.09625	45.5
149.13272	5.5
149.19771	2.2
151.11165	3.2
153.09061	3.2
157.10104	9.2
159.11671	12.7
161.09669	8.5
161.13214	4.0
163.11145	10.6
165.09090	2.9
169.10088	2.7
171.11656	4.3
173.09698	3.4
173.11755	2.6
173.13292	4.3
175.11201	8.1
175.14909	2.7
177.12785	3.6
179.10695	3.4
183.11713	3.4
185.13327	3.1
187.14828	3.0
193.12202	3.3
195.13795	4.1
197.44693	2.5
203.10712	2.7
203.12773	3.5
223.13293	2.5
227.17929	2.2
229.19563	3.5
237.61139	2.6
239.17926	5.9
245.19028	4.0
247.20699	5.7
255.17372	3.0
257.19031	6.9
263.20056	3.2
273.18491	18.5
275.20074	79.2
291.19534	100.0
293.21216	7.8
309.20563	3.0
375.25156	4.9
375.59003	2.5
601.41327	4.7
602.76208	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01869	16.7
55.05508	42.5
57.03421	5.6
57.07061	3.5
63.29821	3.7
65.03920	5.0
67.05501	48.8
69.03434	7.9
69.07064	37.3
69.46120	33.9
79.05484	65.8
81.03403	13.2
81.07049	55.5
83.04984	15.7
83.08616	16.2
85.06519	4.2
91.05479	53.3
93.07041	68.0
95.04942	19.0
95.08600	43.3
97.06522	25.1
97.10159	19.4
97.70309	3.4
98.20794	8.2
105.07036	51.0
107.04960	74.9
107.08587	61.6
108.98299	3.7
109.06499	10.6
109.10148	23.5
111.04462	7.7
111.08015	4.4
111.11658	3.9
115.05447	4.5
117.07021	17.3
117.19095	3.8
119.08578	50.0
121.06470	9.0
121.10111	27.5
123.08071	9.1
123.11690	6.0
125.09606	19.0
128.06233	8.1
129.07030	13.2
130.07780	4.9
131.08582	36.3
133.06503	8.5
133.10130	31.5
135.08046	15.9
135.11708	11.0
137.09637	14.3
139.11186	8.3
141.06953	4.4
142.07861	3.5
143.08546	12.3
144.73608	3.6
145.10107	27.5
147.08064	10.5
147.11623	21.2
149.09604	54.5
151.11131	4.7
153.09116	12.3
155.08582	5.1
157.10161	13.7
159.07999	5.0
159.11713	19.8
161.09563	8.4
161.13271	6.1
163.11153	8.3
167.08527	5.4
167.10651	6.7
169.10179	7.3
171.11734	9.4
173.11775	5.6
173.13210	6.5
175.11156	8.3
175.14850	7.8
177.12781	5.2
181.12152	3.5
183.11685	6.9
185.13275	8.5
187.11180	4.6
187.14764	7.0
189.11230	7.8
195.11830	5.1
195.13737	5.4
197.13278	6.4
203.12712	6.1
211.14879	6.8
213.16331	5.7
221.15361	9.7
227.18153	4.3
229.19577	6.2
255.17480	3.9
257.19080	9.0
263.20193	4.1
273.18460	27.7
275.20068	100.0
283.14929	4.5
291.19528	97.9
293.21130	6.7
309.20648	4.9
333.96164	4.5
379.26532	7.2
547.37604	5.0
565.38751	9.9
583.40057	13.7
601.41412	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01862	21.0
55.05506	22.8
57.03427	7.4
57.07075	6.8
64.08038	4.0
67.05502	38.6
69.03448	5.4
69.07063	36.7
69.80348	4.5
70.11813	22.8
71.08629	6.1
79.05061	5.6
79.05489	54.5
81.03415	11.7
81.07053	43.4
83.04962	13.7
83.08622	11.4
85.06564	5.8
87.00529	4.3
91.05484	41.3
93.07040	48.4
95.04961	18.6
95.08606	35.3
97.06538	41.6
97.10123	12.2
98.98407	4.7
105.07032	41.1
107.04956	60.8
107.08594	32.7
109.06516	9.2
109.10152	22.9
111.04402	9.2
117.06999	15.5
119.08562	36.2
121.10139	24.2
123.08048	10.3
125.06040	4.7
125.09603	10.0
129.06906	5.2
131.08537	20.2
133.10146	24.1
135.08043	16.3
135.11720	4.4
137.09610	7.7
143.08557	6.7
145.10097	15.5
147.08119	7.0
147.11678	13.5
149.09636	40.8
149.13225	6.1
153.09114	5.1
155.01044	6.0
155.29895	4.4
156.09479	5.1
157.10107	10.4
159.11688	12.6
161.09615	9.3
161.13206	6.9
163.11134	6.7
165.09123	8.6
169.10178	5.6
171.11588	5.7
175.11180	8.5
176.52481	4.4
179.75389	4.1
181.12173	4.3
183.11575	5.1
193.12204	5.6
203.12639	5.3
203.14355	5.4
221.15355	10.4
255.17285	5.7
263.20181	4.5
273.18427	28.3
275.20074	65.9
275.22891	7.9
291.19519	100.0
293.21115	5.0
308.43970	4.5
341.30499	24.8
601.41467	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
55.01859	35.1
55.05508	48.4
56.91608	7.9
57.03429	15.0
57.07064	24.5
61.05886	8.0
67.05506	75.1
69.03423	13.6
69.07072	61.2
71.58935	14.8
78.99640	9.0
79.05489	88.5
80.05835	7.8
81.03429	23.5
81.07049	87.0
83.04970	21.7
83.08606	19.0
84.13760	8.0
87.04464	10.2
91.05476	98.3
93.07045	84.7
95.04987	43.2
95.08614	73.3
97.06523	44.3
97.10165	19.5
98.98499	8.8
105.07043	96.7
105.95960	8.9
107.04959	82.5
107.08586	57.1
109.02887	10.3
109.06499	27.8
109.10147	30.9
111.04436	17.3
117.07014	32.5
119.08582	87.7
121.06487	20.5
121.10178	53.5
123.08057	16.8
125.05977	9.5
125.09615	9.7
129.07002	21.0
131.08542	67.6
133.10132	55.3
135.08060	35.3
135.11728	23.0
137.09590	11.8
139.11143	10.6
143.08513	32.1
145.10153	61.6
147.08064	14.1
147.11653	29.5
149.09605	57.4
157.10112	34.0
159.11708	18.7
161.09631	13.6
163.11275	14.1
165.09149	24.8
165.54863	9.6
169.10077	16.8
171.11646	21.8
173.13200	12.2
175.11131	12.1
177.12727	11.9
183.11703	19.9
185.13255	9.9
193.12286	12.3
209.13257	18.0
219.17436	91.4
221.15350	23.7
255.17441	16.1
257.18842	10.2
273.18576	42.1
275.20059	76.4
291.19495	100.0
293.21100	13.6
297.43906	9.4
341.30566	23.9
360.88614	9.4
388.60156	10.2
565.38654	11.9
601.41321	28.5
629.02179	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
55.01879	9.7
55.05507	26.8
57.07074	10.1
65.03934	6.0
67.05504	63.4
69.03420	8.2
69.07058	46.3
69.90827	32.2
69.95629	5.2
70.45958	5.7
71.05005	11.0
79.05496	67.0
81.03437	8.5
81.07059	65.1
83.04984	23.2
83.08627	19.1
83.33687	5.4
91.05479	58.4
93.07037	100.0
95.04966	27.5
95.08604	67.5
97.06545	14.0
97.10181	11.7
105.07023	86.4
107.04935	43.4
107.08578	80.7
109.06518	23.0
109.10178	33.4
111.08099	8.8
115.05466	6.7
117.07022	26.1
119.08572	77.9
121.06531	16.9
121.10139	76.9
122.42907	6.3
123.08060	21.2
123.11693	9.1
125.09644	17.7
129.06963	7.7
130.07776	10.0
131.08569	33.9
133.10135	55.3
135.08022	47.3
135.11713	20.2
137.05986	7.5
137.09618	17.7
137.91049	5.7
139.11177	11.5
140.50146	6.9
142.07782	14.4
143.08563	32.9
145.10124	49.3
147.08023	12.0
147.11684	24.2
149.09627	25.5
151.07507	18.1
155.08604	14.3
155.10600	7.3
156.09340	10.5
157.10117	43.5
159.07983	8.4
159.11720	22.3
161.09660	17.9
161.13235	9.6
163.11205	14.3
165.09126	18.2
167.10658	37.4
169.10167	13.0
171.11723	17.7
173.11832	10.7
173.13271	17.8
175.14873	15.3
177.09055	7.2
177.12657	7.6
181.10138	9.9
181.12212	8.6
181.51106	6.4
183.11635	14.1
185.09610	10.1
185.13304	19.8
186.13901	6.5
187.11188	6.2
187.14923	10.0
189.11165	9.6
193.10228	7.6
195.11710	16.1
197.13268	19.2
199.14847	11.1
203.12671	6.1
207.11691	10.0
207.13783	7.6
209.13229	15.5
211.14911	10.9
212.70842	6.9
221.13338	10.5
221.15262	34.5
233.15367	13.5
237.14622	10.1
257.19006	8.8
259.17081	9.7
261.16232	6.9
273.18454	17.0
275.20129	52.8
287.16559	10.7
291.19507	49.6
293.21164	26.9
305.17526	16.4
332.92197	6.1
381.26630	5.9
458.84024	7.4
469.82050	6.7
511.85071	7.3
583.41046	12.1
601.42212	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
67.05491	0.9
67.91686	0.3
69.03417	1.3
69.07047	0.4
70.06585	0.4
70.30866	1.0
72.08137	0.3
74.02444	0.6
79.05490	0.9
81.03410	0.8
81.07042	0.8
82.86223	0.3
83.04979	0.6
84.08137	0.9
85.02894	1.0
86.06059	0.5
86.09679	0.4
91.05473	2.5
93.07048	2.2
95.04955	1.0
95.08592	0.8
97.02887	0.6
99.04436	0.5
102.90456	0.3
103.05453	2.9
105.07027	4.2
107.04927	0.5
107.08624	1.5
109.02865	0.8
109.06548	0.5
109.10140	0.8
116.10693	0.3
118.06551	1.8
119.04936	0.6
119.07316	12.3
119.08580	0.5
120.08101	32.8
121.06510	0.4
121.10136	1.1
123.04358	0.5
123.08032	0.3
125.09662	0.3
127.03921	0.9
130.06551	0.7
131.04921	0.4
131.08554	0.7
132.08217	0.3
133.10120	1.8
134.09647	100.0
135.08041	0.8
135.09958	1.1
136.07570	1.0
137.09616	1.2
138.09167	0.4
139.11177	0.4
145.10130	0.4
146.05971	0.4
147.04436	0.5
149.09647	0.4
149.13208	0.3
151.11142	1.5
160.07578	0.3
161.09560	0.3
163.03908	0.7
165.05545	0.5
173.13297	0.5
177.09109	0.6
179.11797	1.3
185.09618	0.3
189.09045	1.6
191.14265	2.1
192.06532	0.4
202.12244	3.3
202.13992	0.4
202.15869	2.1
209.15382	1.3
230.11940	0.3
231.10191	1.7
248.12842	3.7
255.76315	0.3
257.12918	0.7
259.14499	0.4
265.15491	0.6
273.16055	0.6
275.13849	0.8
287.13876	0.7
321.14444	0.7
326.23010	0.3
395.19629	2.1
422.20975	0.5
423.19043	1.7
440.21857	1.3
468.21280	24.7
469.21359	0.9
570.25989	7.4
571.26129	0.4
573.30542	1.3
601.28784	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.2
57.07072	6.8
67.05490	13.2
67.32679	4.6
69.03424	12.1
69.07057	7.6
69.25193	9.5
69.25592	59.4
70.53198	5.3
79.05495	12.4
81.07053	17.4
83.04963	9.9
83.20852	5.0
85.06524	5.6
89.06023	6.5
91.04954	5.2
91.05466	28.3
93.07017	34.2
95.04964	16.8
95.08584	20.7
97.06544	7.1
105.07016	52.9
107.08599	31.2
109.06501	10.2
117.07014	14.1
119.08573	55.1
120.52399	5.0
121.10142	19.0
123.08038	17.2
123.57893	6.7
125.06043	6.2
129.07021	9.3
131.08563	23.1
133.10118	20.6
135.08043	25.4
137.09622	18.7
142.07779	9.0
143.08566	20.9
145.10092	33.2
147.08043	36.9
147.11681	9.3
149.09641	14.7
151.07590	14.4
155.08511	7.6
156.09296	8.7
157.10135	25.5
158.24706	5.6
159.08136	8.8
159.11691	15.4
161.09624	13.7
161.13162	6.2
163.11153	19.2
165.09084	39.1
169.10144	14.1
171.11638	16.0
173.09619	7.7
173.13269	8.7
175.11185	15.5
179.08492	7.5
181.10138	11.2
181.12202	16.1
183.11682	14.6
184.62457	5.0
185.13245	6.0
189.12758	8.2
190.13397	6.3
193.10318	5.4
193.12131	13.6
195.11655	13.4
197.13234	19.0
201.12735	6.6
203.14308	18.1
207.13878	8.5
211.14861	6.8
221.15317	100.0
222.15674	18.6
234.16103	17.0
247.16949	23.9
274.19308	14.6
286.19275	5.5
287.20029	8.0
299.20035	6.2
312.20984	11.5
313.21552	10.1
325.21661	6.3
340.24014	11.8
352.23978	24.8
387.25317	9.1
419.29102	11.7
420.30078	7.0
425.26880	8.3
427.28311	8.4
440.29169	33.2
520.35406	15.9
557.31567	6.1
600.41370	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15150	21.8
54.39346	25.1
61.25987	25.8
68.60261	27.4
70.19657	44.8
70.20068	100.0
77.88193	25.3
81.07052	26.2
83.05743	25.5
105.07003	42.0
115.12632	22.2
147.08032	36.2
155.63763	25.7
165.09195	24.1
179.48880	23.2
221.15424	83.2
235.85535	24.8
246.18834	24.8
247.16884	27.8
387.64822	25.6
440.29214	27.6
520.35040	40.2
524.85632	27.7
531.11102	26.8
600.41162	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
55.01860	1.6
55.05505	3.7
56.05026	0.6
57.07058	0.5
58.99570	1.4
65.03938	0.9
67.05176	0.9
67.05503	11.7
69.03420	0.7
69.07066	4.4
70.06595	0.6
71.04972	0.8
71.19236	1.1
74.00658	3.0
76.02224	2.5
79.05492	10.9
80.05035	2.3
81.03421	1.0
81.07054	17.6
82.06549	1.1
83.04970	1.6
83.06097	1.6
83.08607	1.8
84.04499	5.3
85.01137	1.4
85.06527	0.9
86.00636	1.8
87.02641	0.6
91.05479	8.7
93.07041	10.1
94.06584	1.4
95.04965	3.1
95.07982	0.6
95.08603	11.6
97.01112	1.5
97.06534	2.0
97.10176	0.5
99.01419	3.3
99.02707	0.9
99.05575	0.9
100.02211	5.6
105.07035	8.3
106.06575	0.6
107.04937	1.5
107.08593	6.5
108.04445	0.5
108.08094	0.8
109.06526	3.1
109.07607	0.5
109.10164	3.4
111.02670	1.3
111.08110	0.8
112.02184	8.8
113.00581	0.8
113.02986	1.4
114.03741	7.4
115.05760	0.8
116.01665	2.2
117.07015	2.3
119.08582	5.3
120.08112	1.1
121.06516	1.3
121.10137	3.0
122.09676	0.7
123.08058	1.1
123.11733	0.7
124.02177	0.8
125.04230	1.0
126.03750	3.3
129.06619	1.7
130.05022	1.1
131.08560	3.4
133.06490	0.5
133.10115	4.5
134.09630	1.0
135.08054	1.2
135.11732	1.5
137.04218	1.1
137.09608	1.3
138.03697	2.7
139.03276	0.9
139.05763	0.9
140.05281	7.0
140.49109	0.4
142.03227	0.6
143.02621	0.5
143.08574	0.9
144.01198	0.9
145.06067	0.6
145.10083	2.8
147.08134	0.5
147.11671	4.4
149.09576	1.5
149.13232	1.6
151.05785	0.6
151.07321	0.5
151.11183	0.5
152.05307	1.7
153.06506	0.6
154.06857	1.3
157.10121	0.8
159.11674	1.2
161.13266	0.6
162.02200	1.4
162.12781	0.7
163.11198	1.4
166.06937	1.1
168.08411	13.3
169.10129	0.6
170.02745	0.6
171.11652	0.7
173.13269	1.8
175.11234	0.6
179.04927	1.0
181.05939	0.6
185.03769	2.4
185.13309	0.6
191.14305	1.1
196.11501	1.2
202.04111	1.9
203.12848	0.7
207.13779	0.5
209.15385	2.0
215.04790	0.9
216.05664	2.6
217.08815	0.5
217.72217	0.5
222.14984	0.7
224.11037	5.3
231.04346	3.6
233.05925	1.1
236.14586	0.9
239.17880	0.8
241.06471	1.5
242.12076	7.6
247.20662	0.7
255.07993	2.1
257.18878	0.8
264.14139	5.0
265.12329	0.5
265.15091	0.6
269.09406	1.1
270.10324	6.0
271.11008	1.3
275.20041	7.1
281.14450	1.3
282.15213	27.3
293.21072	0.7
307.17163	0.7
308.09283	1.2
323.16293	1.1
323.19937	0.6
332.20386	0.7
333.18799	2.8
344.14194	1.7
350.21494	10.2
351.19739	2.3
368.22501	9.4
378.20807	0.9
384.17120	14.2
385.17780	2.3
402.12558	0.6
407.23486	0.7
435.22961	1.1
453.24173	100.0
454.24625	2.4
479.25867	1.1
525.26276	6.4
582.28137	1.6
600.29553	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99264	0.9
55.01873	1.3
55.05511	4.4
56.05017	0.9
57.29375	0.8
57.98784	0.8
58.99580	19.0
62.59996	0.8
67.05501	10.5
69.07060	4.8
70.83459	2.3
71.04971	0.9
76.02220	86.8
76.03995	2.8
79.05139	0.7
79.05486	8.6
80.04994	0.9
81.03400	1.2
81.07044	11.0
83.04974	3.3
83.06088	2.3
83.08610	2.8
84.04494	16.4
86.99033	4.6
88.02197	2.3
91.05473	9.0
93.07024	10.4
95.04952	3.2
95.08587	7.3
97.02874	0.9
97.06511	2.3
97.10164	1.1
99.05585	1.0
102.05487	0.9
105.07018	10.5
107.04956	6.8
107.08589	7.5
109.06496	4.1
109.10146	4.4
116.01656	23.1
117.06994	2.9
119.08569	6.8
121.06474	4.8
121.10132	5.6
123.08049	2.4
123.11652	2.1
125.09628	1.4
129.06589	1.0
130.04993	5.5
131.08551	6.7
133.06427	1.5
133.10126	7.9
135.08025	2.4
135.11659	2.6
137.09581	1.5
141.04813	1.5
142.03221	7.8
143.08554	1.4
144.01128	13.6
145.06413	1.1
145.10086	5.2
147.08018	2.6
147.11653	5.6
149.09575	2.8
149.13242	0.9
151.11176	1.9
155.08467	1.0
157.10104	1.4
159.11673	4.4
161.09604	2.6
161.13225	1.9
162.02182	42.2
163.11189	1.9
170.02708	2.9
171.11641	1.3
173.09787	0.9
173.13242	1.9
175.11273	0.7
179.04832	100.0
183.11711	1.0
183.35420	0.9
187.05348	3.6
187.11093	1.0
191.14140	1.5
197.13199	1.2
201.12781	1.4
207.13768	1.3
215.04802	1.1
219.13806	1.6
227.04684	1.1
233.05911	16.3
239.17871	1.4
245.05859	3.9
247.20598	1.0
257.19012	5.2
273.18469	4.0
275.20032	35.7
278.42697	0.8
291.06387	2.4
291.19595	4.3
293.21085	19.7
308.09076	30.1
326.49466	0.8
351.19855	1.1
353.13599	0.9
357.73578	1.0
368.22379	7.6
453.24133	8.2
471.25256	1.2
525.26154	3.4
555.59076	0.9
600.29645	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
57.35007	0.4
60.88652	0.4
69.03429	0.9
70.48739	0.6
70.49140	0.8
78.19836	0.3
82.37370	0.4
85.02899	1.7
91.05484	1.2
97.02871	0.9
105.07020	0.8
107.04959	0.7
115.05453	0.5
117.07001	1.2
118.20682	0.4
128.06213	1.6
129.06984	4.0
131.08557	5.0
131.89027	0.4
133.06450	0.8
141.06992	1.3
142.07686	0.9
143.08528	0.8
144.05644	2.0
145.04929	0.4
145.06470	1.3
146.07256	0.7
157.06485	2.5
159.08038	9.4
161.05980	0.8
161.09581	2.6
167.07037	1.8
169.07605	0.6
170.07259	1.6
171.08025	1.9
172.05122	0.7
173.05988	1.3
174.06717	0.6
175.07501	0.4
180.08614	0.9
187.07545	7.9
188.08246	0.5
189.05484	0.7
189.09100	3.2
190.06306	0.4
191.07036	0.7
198.06798	0.4
199.07579	1.1
203.07027	1.4
204.07803	4.4
205.08546	0.8
206.09457	0.6
216.07840	1.5
217.08485	0.5
218.09346	0.4
219.10179	2.0
221.08018	0.4
221.11723	1.2
231.10141	2.6
234.08952	0.4
237.11224	1.3
249.11209	100.0
250.11549	1.3
267.12271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27528	0.3
67.05497	0.6
67.83960	0.3
69.03399	1.2
69.61892	0.3
70.06580	1.3
70.91742	1.0
73.02891	0.4
76.94606	0.4
79.05470	0.7
81.07038	0.8
85.02908	2.7
86.09689	0.9
89.96640	0.4
91.05475	1.9
95.08579	0.4
95.39851	0.3
97.02903	0.8
105.07013	1.4
107.04945	1.0
109.02862	0.4
109.06435	0.4
115.05447	1.3
116.06272	0.4
117.07001	1.5
121.06519	0.7
123.04442	0.5
127.03868	0.6
128.06212	2.5
129.06998	6.6
129.10173	0.3
131.04898	0.7
131.08565	7.4
132.05693	0.4
133.06473	1.2
133.10097	0.8
136.06139	0.5
141.06972	2.5
142.07747	1.0
143.08569	1.2
144.05682	3.4
145.04933	0.4
145.06473	2.0
146.07222	1.1
147.04399	0.5
147.11687	0.5
153.06975	0.6
155.06041	0.6
156.05699	0.4
157.06499	3.3
158.07152	0.8
159.08040	14.1
160.08766	0.4
161.05984	1.0
161.09618	3.1
162.07681	0.4
167.07036	2.4
169.06430	0.5
169.07689	0.8
170.07213	2.3
171.08035	2.7
172.05177	1.2
173.05927	1.5
174.06792	0.6
175.07486	1.2
178.06252	0.6
180.08580	0.6
187.07542	10.6
189.05498	1.1
189.09077	4.6
191.06979	0.5
192.07919	0.5
193.08646	0.6
198.06807	0.4
199.07513	1.1
203.07043	1.7
204.07808	5.8
205.08580	0.9
206.09280	0.5
216.07794	1.5
217.08626	0.4
218.09364	0.5
219.10104	1.6
221.08142	0.6
221.11662	1.9
231.10155	3.6
237.11133	1.0
249.11209	100.0
250.11499	1.6
267.12308	0.8
462.08856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33699	5.3
52.71717	5.8
53.03931	7.9
55.01867	13.8
55.05511	59.2
57.04893	6.2
57.07071	7.3
65.03932	7.7
66.04662	5.4
67.05180	7.1
67.05511	90.8
69.03426	13.2
69.07063	49.3
71.58432	5.1
71.58804	7.7
73.82551	6.2
79.05495	64.1
81.07053	83.6
83.04969	17.1
83.08614	31.3
85.06541	8.4
91.05479	68.7
93.07034	100.0
95.04948	22.6
95.08613	85.3
97.06509	16.0
97.10161	28.0
105.07020	84.8
106.04910	5.7
107.04940	12.9
107.08601	60.1
109.06495	14.6
109.10161	43.2
111.08071	11.6
117.07019	43.6
119.08586	78.7
121.06482	11.8
121.10143	64.4
123.08065	24.9
123.11678	10.2
125.09621	26.8
128.06200	7.4
129.06978	25.9
131.08562	61.4
133.10136	40.8
135.08061	17.2
135.11661	18.6
136.55006	6.3
137.09628	8.0
141.07013	8.7
142.07762	15.7
143.08537	26.8
144.09311	11.3
145.10120	77.4
147.08031	13.6
147.11676	22.4
149.09599	20.4
151.07536	17.7
155.08572	20.1
155.10744	7.6
156.09303	8.2
157.10129	47.2
159.08022	7.7
159.11653	41.6
161.09552	10.9
161.13229	12.3
163.11176	8.8
165.09105	16.4
167.08517	8.3
167.10674	65.6
169.10141	22.4
170.10904	5.8
171.11710	37.8
173.09711	7.9
173.13263	28.1
175.11172	8.7
175.14812	13.6
179.08629	8.2
181.10091	15.7
181.12187	6.8
183.11674	20.8
185.13225	20.3
187.14786	17.2
189.12775	8.9
194.10934	6.6
195.11763	12.6
197.13274	13.3
199.11086	8.2
199.14832	11.0
201.16333	14.7
203.12729	14.6
203.14394	15.1
209.13156	12.2
211.14783	14.5
215.17969	7.0
221.13464	10.0
221.15268	32.5
223.14780	12.5
233.13235	6.2
233.15335	26.3
235.14929	6.6
237.16254	7.2
237.91536	6.2
257.18994	11.1
264.14832	6.2
273.18445	13.7
275.20126	12.7
281.18839	9.2
283.20590	11.0
291.23505	7.0
313.98767	6.0
339.28992	6.6
365.24506	8.3
367.29898	16.3
399.32639	80.7
567.43781	11.3
581.38647	16.9
599.39459	44.8
599.48181	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.4
57.07067	12.4
59.91045	6.0
67.05489	20.2
69.03415	11.8
69.07044	15.0
69.49551	55.4
79.05481	25.3
81.07045	28.1
91.05469	33.3
93.07029	26.2
95.04950	11.9
95.08599	27.4
98.20788	11.8
104.31389	5.9
105.07006	31.3
107.08572	26.8
109.06512	12.1
109.10155	13.5
117.06988	10.5
119.08559	35.8
121.06499	8.0
121.10142	22.5
123.08047	16.6
129.06979	14.6
131.08548	19.6
133.10115	18.2
135.08038	17.5
135.11726	8.7
137.09628	15.4
141.07005	6.7
142.07745	7.7
143.08560	18.2
145.10098	24.4
147.08026	28.3
147.11693	10.9
149.09660	8.6
151.07463	19.8
155.08426	8.0
156.09285	6.8
157.10124	20.2
159.11703	13.0
161.09535	7.2
165.09094	46.5
169.10110	14.9
171.11667	14.9
181.10130	6.7
181.12267	8.8
183.11679	11.8
185.13303	7.7
186.55933	6.6
195.58310	6.5
203.14244	11.8
209.13258	8.3
221.15331	100.0
233.15361	11.6
247.16965	20.2
265.12820	6.6
273.18307	6.5
275.20193	8.1
287.19983	7.1
291.19473	7.1
299.20087	8.6
311.19864	6.2
349.03162	7.7
391.26089	8.8
507.34351	7.5
599.41083	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.9
55.01865	14.9
55.05511	58.5
56.61505	4.8
57.03438	7.5
57.07071	8.8
65.03964	9.0
67.05504	90.2
67.98898	5.7
69.03420	10.6
69.07065	50.2
71.04963	12.2
79.05497	82.4
81.03426	15.7
81.07059	92.6
83.04961	36.6
83.08622	23.9
85.06582	9.6
85.31799	5.2
91.05478	83.3
93.07044	100.0
95.04968	29.1
95.08601	74.0
97.06521	25.5
97.10163	25.9
105.07029	62.4
105.17435	5.5
107.04968	39.4
107.08588	64.2
109.06518	18.3
109.10180	29.5
111.04451	5.1
111.08074	8.6
113.06042	6.3
117.07022	35.4
119.08577	70.0
121.02861	23.2
121.06485	25.6
121.10143	51.9
123.08076	16.6
123.11709	5.7
125.09653	16.6
128.06235	6.4
129.06998	14.6
131.08559	41.6
133.06497	7.2
133.10127	39.7
135.08052	38.1
135.11676	6.5
137.09636	22.0
139.11208	10.4
141.06999	10.4
142.07707	7.3
143.08549	30.8
145.06529	5.7
145.10118	43.5
147.08081	22.0
147.10637	5.0
147.11647	28.7
149.06020	7.9
149.09639	24.1
149.13222	5.2
149.16383	6.4
151.07573	9.8
154.07719	5.5
155.08553	12.0
155.75679	5.8
156.09465	7.9
157.10164	26.2
159.08051	11.7
159.11708	22.4
161.09663	15.3
161.13264	14.6
163.07500	29.1
163.11224	10.7
165.09079	12.0
167.08614	8.5
167.10683	11.5
169.10106	21.1
171.11732	16.9
173.09615	12.2
173.13303	15.4
175.11163	9.2
177.12849	8.4
181.10103	8.2
182.10786	6.3
183.11734	17.4
185.13226	10.6
187.11234	8.0
187.14922	9.8
189.11278	5.9
189.12831	13.1
195.11743	11.1
197.13239	8.5
199.11119	8.7
199.14871	12.2
203.12749	9.0
203.14433	7.6
209.13327	7.8
211.14902	10.2
219.13937	5.7
221.15329	20.9
227.14415	7.9
231.17584	5.3
233.15303	8.2
239.17880	7.5
257.18945	10.5
259.20374	5.8
273.18433	25.7
275.20142	50.9
289.17975	57.5
291.19574	31.1
293.21161	18.9
297.18362	5.6
307.19119	12.9
473.29965	5.4
509.34622	7.1
539.22961	6.6
543.19019	15.6
545.36377	8.5
563.37256	20.0
581.38684	21.2
599.40271	39.0
599.50104	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01854	13.6
55.05506	49.2
57.03432	13.7
57.07058	16.2
60.04508	11.3
65.03920	7.2
67.05502	57.1
69.07072	65.1
71.04986	9.3
71.58955	9.0
79.05492	67.6
80.20751	5.7
81.03397	12.4
81.07056	64.9
82.72754	5.7
83.04978	75.2
83.08608	18.2
91.05483	56.9
93.07041	77.0
95.04966	44.5
95.08600	47.9
97.06528	15.7
97.10189	14.5
105.07028	66.4
107.04955	40.1
107.08605	57.9
109.06489	12.3
109.10148	22.4
115.05404	9.6
117.07009	22.9
119.04858	5.6
119.08572	67.1
121.06544	12.3
121.10140	45.8
123.08074	17.3
125.09612	10.8
128.06212	10.3
129.06999	19.0
131.08588	26.5
133.06525	8.9
133.10123	30.4
135.08063	41.2
135.11659	10.0
137.09628	10.3
139.11166	16.1
143.08510	18.1
145.06577	6.1
145.10147	22.8
147.08041	15.9
147.11673	17.1
147.44685	5.0
149.09592	12.6
151.07538	12.4
155.08530	12.3
156.09230	6.0
157.10089	20.6
159.08113	28.2
159.11696	26.0
161.09630	10.6
161.13274	7.2
163.11197	16.1
165.09157	22.2
167.10654	18.3
169.10123	9.6
171.11722	14.3
173.09631	7.0
173.13177	8.6
175.01556	21.0
175.11195	8.0
181.02612	16.9
183.11710	15.8
185.13249	10.1
187.14839	8.0
195.11742	6.0
197.13287	9.2
203.12781	12.7
207.13766	8.3
211.14742	6.5
215.14386	6.8
221.15323	47.5
227.04689	17.6
233.15411	20.2
237.14870	7.6
257.18808	9.8
271.16925	16.5
273.18436	16.8
275.20074	100.0
289.18069	42.6
291.19485	14.9
293.21069	39.3
306.19092	5.9
313.12015	40.6
369.18173	9.0
487.12885	8.0
507.34540	9.6
539.22620	8.9
543.19104	70.0
581.39008	9.1
581.52625	12.1
599.25677	34.9
599.41229	46.6
622.56366	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.1
55.01675	2.0
55.01873	22.3
55.05510	26.9
57.03420	4.3
59.04988	2.7
65.03934	4.4
66.81692	2.2
67.05504	58.5
69.03413	6.4
69.07064	44.4
70.01630	2.0
70.84250	3.0
70.84588	4.5
71.04971	4.1
79.05068	4.1
79.05492	50.9
79.05945	2.0
81.03422	13.5
81.07056	45.2
83.04985	21.7
83.08601	7.4
85.02892	3.3
85.06535	4.5
91.05479	59.0
93.07040	54.2
95.04954	26.8
95.08595	37.1
97.06523	25.3
97.10142	7.8
99.04440	6.1
99.08083	3.0
105.07024	56.4
107.04942	100.0
107.08583	33.8
109.06495	12.9
109.10151	22.4
111.04429	19.1
115.05428	4.4
117.06999	21.5
119.07807	3.0
119.08582	39.4
121.06507	11.6
121.10116	25.5
121.87552	2.3
123.08065	10.8
123.11673	3.8
125.09610	8.1
128.06209	5.0
129.07014	13.1
130.07779	4.2
131.08582	24.9
133.06483	15.5
133.10106	15.5
135.08043	27.5
135.11691	7.1
137.09590	13.5
139.11183	6.0
141.06931	3.2
142.07782	4.5
143.08566	14.8
145.06470	6.6
145.10127	22.0
147.08035	20.3
147.11667	7.2
149.09613	40.3
149.13213	2.6
151.07547	5.6
153.06967	2.6
153.09091	7.6
155.08534	7.5
157.10130	18.9
159.08022	8.1
159.11705	13.0
161.09644	15.8
161.13249	4.1
163.11139	8.2
165.09070	10.1
167.10657	9.5
169.10184	5.6
171.08044	2.6
171.11636	5.3
173.09608	5.4
173.11716	6.2
173.13141	4.1
175.11188	18.8
177.12624	4.0
179.08553	3.3
179.10593	4.7
181.10091	3.1
183.11639	3.7
185.09599	3.9
185.13226	8.0
187.11174	6.5
189.12775	5.3
193.12218	4.9
195.11803	4.0
195.13774	6.6
197.13246	4.4
199.11266	2.8
199.14827	3.0
207.11635	3.4
209.13261	3.6
211.14873	3.6
213.12727	2.7
213.16365	2.5
215.14386	2.6
221.11716	2.8
221.15280	4.5
224.41264	2.2
227.17975	3.2
233.15425	4.0
235.13174	2.9
245.18982	10.6
255.17406	8.7
263.19986	3.6
273.15485	3.3
273.18475	73.7
275.20126	7.5
289.17975	7.2
291.19528	95.7
292.19821	4.7
303.20300	3.4
309.20901	5.0
330.01923	2.7
397.27295	3.5
507.34671	3.7
521.98810	2.2
545.36243	4.5
563.37091	7.1
581.38330	13.6
599.25006	16.0
599.39813	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
53.95449	3.9
54.58992	3.6
55.01858	14.2
55.05507	30.6
57.03423	8.4
57.07052	8.3
57.52174	4.2
67.05501	63.7
69.03419	13.9
69.07067	30.1
71.04993	4.9
71.58501	6.1
79.05488	57.1
81.03412	19.6
81.07058	74.1
83.04962	15.7
83.08601	10.4
85.06519	9.1
91.05473	94.3
93.07039	64.8
95.04968	34.2
95.08618	38.1
97.06514	18.8
97.10141	10.3
103.05487	8.1
105.07022	66.2
107.04946	55.4
107.08587	46.8
109.06504	18.6
109.10158	22.4
111.08038	5.9
115.05491	8.2
117.07005	31.6
118.48608	4.1
119.08574	83.1
121.06493	14.3
121.10155	41.0
123.08047	25.6
125.09602	11.6
128.06207	11.1
129.06995	22.4
131.08560	53.5
133.06503	6.4
133.10130	24.0
135.08035	26.5
135.11676	12.4
137.09631	13.3
142.07768	11.4
143.08560	36.9
145.06505	5.3
145.10120	49.5
146.30418	4.1
147.08046	45.0
147.11674	7.8
149.09604	31.6
151.07549	10.1
155.08531	13.3
156.09370	5.5
157.10146	31.9
159.08026	15.1
159.11691	27.6
161.09584	17.4
161.13191	7.9
163.11168	13.0
165.09113	36.1
167.08458	7.8
167.10681	16.3
168.09326	6.4
169.10132	18.8
171.11679	19.3
173.09575	5.1
173.13264	10.9
175.11154	6.2
177.09001	4.8
177.12729	8.7
179.10660	4.8
181.12263	6.1
183.11700	11.5
185.09607	7.4
185.13269	13.7
187.11133	6.2
189.11171	10.4
189.12761	10.3
193.10159	4.9
193.12167	4.3
195.11720	7.6
195.13670	6.4
197.13235	15.1
199.11246	7.3
199.14935	4.8
201.12747	6.8
203.14265	14.4
207.11736	8.0
209.13277	9.3
211.14879	6.6
215.14369	5.6
221.13316	8.4
221.15329	66.1
225.12671	5.1
227.17838	4.7
233.15356	15.1
237.16461	5.2
247.14772	6.1
247.16940	5.7
255.17355	10.7
273.18478	100.0
275.19989	6.4
287.20215	5.9
291.19540	91.0
307.18762	5.5
309.50510	4.1
342.56503	4.5
365.24652	6.4
507.34497	16.0
581.39075	10.3
599.40729	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
55.01867	15.5
55.05508	33.7
57.03418	3.2
57.07077	3.1
57.78590	1.9
65.03927	3.9
67.05502	46.4
69.03400	5.1
69.07066	26.0
70.32777	4.2
70.33183	7.8
71.04985	5.3
72.38525	2.0
73.94530	2.2
74.72263	1.9
79.05485	50.6
81.03412	10.1
81.07048	45.4
83.04977	16.8
83.08610	13.6
84.12457	2.4
85.06533	3.8
90.63091	1.8
91.05473	52.9
93.07034	55.9
95.04958	28.2
95.08602	33.0
97.06538	9.2
97.10159	14.5
99.08077	3.0
103.05440	4.2
105.07023	42.7
107.04945	52.8
107.08578	29.9
109.06522	11.1
109.10160	15.8
110.94231	2.3
111.04428	3.6
111.08079	4.1
115.05482	3.7
117.07021	18.8
119.04938	1.9
119.08578	40.6
121.02862	3.0
121.06514	13.3
121.10124	22.5
123.08074	10.0
123.11745	2.7
125.09624	13.4
128.06235	5.9
129.07040	10.8
130.07858	2.8
131.08565	28.5
133.06485	8.3
133.10123	18.3
135.08051	26.1
135.11719	6.2
137.09595	9.9
139.11159	6.6
141.06976	3.7
142.07788	4.1
142.41100	2.3
143.08553	13.2
145.06470	6.4
145.10100	24.9
147.08025	19.0
147.11671	10.6
149.09610	20.1
149.13242	4.3
151.07536	7.1
153.09094	3.1
155.08589	7.6
156.09381	3.6
157.10114	15.4
159.08078	9.0
159.11711	10.5
161.09627	11.9
161.13240	5.2
163.07539	4.4
163.11159	6.0
165.09123	6.8
167.08539	3.5
167.10695	12.5
169.10120	7.7
171.11729	8.8
173.09592	5.3
173.11884	4.1
173.13260	4.8
175.11194	13.3
176.44774	2.0
177.12767	3.2
179.08560	4.1
181.10121	4.2
183.11670	6.3
185.09720	3.1
185.13203	5.4
187.11188	4.9
189.11212	6.8
189.12692	4.7
193.10139	3.1
195.11758	3.5
195.13780	2.1
197.13277	4.0
197.16179	2.5
199.11079	2.0
199.14854	2.4
203.12633	3.4
203.14322	4.2
207.11717	2.9
209.13182	4.6
211.14868	4.1
213.12782	4.2
215.14339	2.8
219.13783	3.1
219.46300	2.2
221.15370	10.3
223.13271	4.6
227.14575	2.1
227.17982	3.0
233.15404	5.6
235.14941	2.7
245.19044	4.4
247.14825	2.3
253.15839	2.1
255.17410	3.2
257.18997	2.9
263.20227	1.9
271.17017	5.2
273.18463	45.7
275.20099	23.0
289.17987	15.8
291.19525	100.0
293.21188	3.7
377.24692	2.2
406.26492	2.0
545.36389	2.5
581.38330	16.1
599.39606	79.8
600.39435	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57080	1.1
61.02921	1.5
67.05483	1.1
69.03427	3.8
70.04882	5.0
70.05294	2.1
79.05475	5.3
81.03424	13.9
81.07029	1.4
83.73312	1.4
85.02895	11.5
91.05468	3.7
95.04969	1.8
97.02872	4.1
98.21346	1.5
103.05441	3.4
105.07021	1.8
107.04951	10.5
115.05431	7.5
117.07029	19.0
123.04411	3.8
124.05192	2.5
125.05962	1.7
125.78645	1.2
127.03924	2.9
127.05482	1.2
128.06224	2.1
129.06973	2.3
131.04858	1.6
131.08568	3.9
133.06519	1.9
144.05672	2.6
145.04958	2.0
145.05168	2.3
145.06480	34.4
147.08058	2.2
152.04739	2.7
155.05998	3.6
156.05676	7.9
157.06514	2.9
159.08061	9.0
161.05989	5.4
163.03838	1.5
167.07039	55.7
168.07321	1.8
173.05984	59.7
175.07576	1.5
177.05322	1.7
180.08694	3.4
181.08612	1.4
184.05168	2.5
187.07558	6.1
190.04642	2.4
190.06256	35.9
191.07031	3.3
193.08620	3.0
198.78938	1.2
198.93408	1.4
202.06223	2.9
203.06996	7.2
205.08603	100.0
206.08937	2.6
207.06525	2.1
217.08591	39.1
219.10135	4.8
223.09686	4.7
235.09621	27.1
241.90115	1.3
247.07433	2.3
247.09702	8.0
248.08202	1.8
263.10699	1.4
264.07889	1.3
265.08078	2.0
265.10721	21.5
269.08075	1.6
291.10251	2.4
307.09644	1.5
315.08685	4.3
323.12592	1.6
330.10977	5.6
331.11676	3.1
351.12363	4.8
371.14813	3.4
383.14780	9.9
401.15836	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1809
Annotation	Pinobanksin 5-galactosyl-(1->4)-glucoside
Peak:m/z	Relative Intensity
53.03949	0.2
57.03434	0.1
67.05458	0.1
68.99788	0.3
69.03416	0.4
69.76628	0.4
69.77065	0.3
70.06580	0.3
79.05493	0.2
81.03408	2.1
85.02905	0.7
86.09692	0.1
96.02131	0.2
97.02889	0.3
104.33644	0.1
105.07051	0.1
107.04917	0.1
109.02869	0.2
110.37390	0.1
114.26656	0.1
127.03909	0.5
137.02330	100.0
138.02696	0.2
147.04405	0.1
155.03365	0.3
163.03839	0.2
179.03429	0.2
194.32515	0.1
255.06583	0.7
257.04385	0.1
273.07559	17.0
274.08011	0.1
281.06635	0.2
287.05493	0.2
288.05771	0.2
289.06064	0.2
299.07657	0.5
303.05188	0.5
323.52884	0.1
350.25134	0.1
435.12811	2.3
440.43307	0.1
548.89136	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31141	3.8
55.01870	10.5
55.05509	49.5
56.67982	4.2
57.03433	17.8
57.07059	6.2
59.05013	5.9
66.57069	5.1
67.05504	100.0
69.03427	8.3
69.07059	16.5
69.65871	27.8
79.05484	35.4
81.03409	18.1
81.07046	32.9
83.04980	14.2
83.08617	21.4
85.02895	28.5
87.04478	10.7
91.05479	17.1
93.07040	20.7
95.04961	13.6
95.08605	23.9
97.02896	6.2
97.06495	5.4
97.10174	34.8
103.03928	10.1
105.07037	12.4
107.04964	7.1
107.08578	22.4
109.10150	62.1
111.08041	4.5
119.08582	13.6
121.10162	6.9
125.09631	35.3
135.04427	4.4
135.11676	5.3
137.02278	7.0
143.10699	8.9
145.10130	8.9
149.05981	10.5
153.00740	5.1
153.01823	23.2
153.12735	16.7
163.03743	5.3
163.07607	7.9
163.11208	14.4
173.11732	40.3
181.12210	7.7
183.71570	5.4
189.11293	4.7
199.13339	9.9
209.11665	5.3
227.12807	16.6
229.14310	53.8
245.13792	5.8
246.04755	6.3
257.13861	20.4
276.20352	5.9
283.15363	13.6
287.05408	7.8
288.05612	5.7
301.16446	37.9
302.04181	8.3
303.04855	23.3
304.05182	11.5
315.05038	19.7
316.05341	19.2
319.17709	10.0
342.06839	8.2
354.07217	5.2
399.23755	5.0
440.14114	8.5
560.23682	33.2
568.93549	5.6
578.24493	32.0
596.25647	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56512	4.0
55.05502	16.7
57.03432	6.6
67.05502	80.8
69.07048	14.2
69.84763	23.0
73.30204	3.7
79.05495	41.6
81.03371	4.3
81.07056	82.4
83.08613	8.9
85.02869	4.0
85.06541	4.7
91.05470	22.2
93.03467	3.7
93.07038	57.0
95.04993	7.6
95.08601	68.5
97.10190	4.3
105.07023	21.1
107.08585	29.2
109.10147	31.8
110.03637	4.5
117.06993	8.2
119.08562	14.9
121.10112	34.1
122.20876	4.2
123.11694	18.5
130.19749	4.2
131.08545	16.6
133.10098	17.2
135.11665	26.2
145.10104	15.4
147.11703	15.7
149.13268	31.6
159.11719	13.5
161.13257	10.3
163.14786	17.2
167.94804	4.0
173.13263	15.1
174.59717	4.2
177.16397	8.6
187.14783	13.3
194.40567	4.1
243.21017	32.7
261.22101	100.0
261.40146	4.1
335.25739	24.3
353.26959	31.0
373.87869	5.1
421.98776	4.4
436.75638	5.2
437.42868	4.8
528.43713	4.7
561.27148	14.4
562.03497	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
53.84463	2.7
55.01861	9.0
55.05502	14.3
56.05016	4.7
60.04515	7.5
65.03902	2.9
67.05502	36.6
69.03423	21.0
69.07064	24.9
70.06577	8.7
71.04993	6.6
71.57663	4.8
72.04530	3.4
73.02895	3.7
74.02438	2.7
79.05492	40.7
81.03412	19.5
81.07051	55.3
83.04967	8.2
83.08613	8.0
85.02895	33.1
85.06549	6.7
86.09682	10.0
87.00793	7.4
91.05462	30.4
93.07035	45.0
95.04952	11.0
95.08608	33.5
97.02885	11.5
97.06512	8.8
97.10164	3.6
99.04455	5.9
105.01852	7.4
105.07012	31.5
107.04931	9.3
107.08593	26.5
109.02858	14.1
109.06508	7.1
109.10113	14.0
111.04475	2.6
111.08058	4.6
111.11706	4.4
117.07008	6.7
119.08591	21.6
120.08105	9.6
121.06532	6.9
121.10133	35.4
123.04401	5.9
123.08060	30.4
123.11719	7.1
125.09579	4.1
125.70684	2.9
127.03910	15.1
128.06169	3.8
129.06990	6.5
131.08556	10.8
133.06512	6.1
133.10109	16.9
135.08043	8.2
135.11688	19.2
137.05965	8.3
137.09642	8.9
137.13269	9.3
139.07552	3.8
139.11153	10.0
143.08582	4.8
145.06522	3.5
145.10178	3.6
147.04413	4.5
147.08080	4.7
147.11707	4.7
149.06036	4.3
149.09616	5.3
149.13213	7.2
151.07544	12.2
153.09119	4.3
153.12726	7.3
159.02888	3.5
159.11702	7.0
161.05977	3.2
161.09668	4.7
161.13278	9.4
163.03860	12.8
163.07487	2.9
163.14745	4.4
165.05420	3.4
167.07018	18.0
168.07352	5.9
171.11615	4.2
175.14836	7.5
179.10657	4.9
181.04991	10.4
185.13280	5.8
191.07066	4.5
193.08511	3.6
199.14844	3.5
213.03995	3.1
241.19437	9.2
248.23694	5.3
259.20584	11.7
266.24829	5.7
277.21603	54.6
291.43796	3.4
294.24146	8.8
295.22647	100.0
312.25284	21.6
313.23685	53.0
330.26526	15.1
331.24792	40.7
339.12219	5.8
348.27579	17.7
378.14642	3.9
480.50937	3.5
525.27020	7.1
536.18457	3.9
568.35645	5.1
578.31458	8.4
596.22516	8.1
596.34088	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05511	1.8
58.06610	7.3
59.07376	1.6
60.08163	81.5
65.03926	0.9
67.05484	3.1
68.60846	0.7
69.03401	1.2
69.07072	5.4
70.06574	2.3
71.04982	1.0
71.16766	1.4
71.17102	1.0
72.08148	1.0
79.05508	1.6
81.07040	1.3
82.06613	0.9
84.08148	5.0
85.02901	1.7
85.40160	0.7
91.05481	6.0
93.07037	2.2
95.04955	2.6
95.08587	1.7
97.02881	1.3
97.06526	17.9
98.09673	1.1
103.05476	7.1
105.06996	1.6
107.04961	2.3
107.08609	1.3
110.06031	1.6
114.12816	1.5
119.04952	3.0
119.07307	1.9
120.08104	93.0
121.06441	0.8
123.04426	2.6
124.07537	1.4
130.06566	1.2
131.04939	1.5
132.08086	0.9
133.06491	0.9
133.10121	0.9
135.06885	0.9
136.07567	4.2
137.06018	0.9
138.12775	1.0
141.40446	0.7
143.08592	1.0
146.05988	3.5
147.04367	1.3
149.09604	1.1
149.81058	1.0
152.10669	1.9
153.05455	1.2
158.06007	1.5
160.07614	1.7
161.09584	0.9
164.14206	0.8
165.05486	2.4
167.07040	2.5
173.09619	2.7
173.16478	1.7
177.09084	7.2
179.86116	0.8
180.13843	2.9
181.04944	1.4
182.08096	1.1
185.09651	1.0
188.14389	1.0
189.09116	7.4
190.12183	4.7
200.10677	1.9
202.12259	12.3
202.26120	0.8
208.13358	4.4
214.12300	0.8
216.13846	1.1
219.10220	3.6
231.10172	6.1
236.12791	1.1
243.51213	0.9
248.12869	7.1
257.12823	1.9
265.27222	1.4
282.27740	1.2
287.05701	1.3
300.29086	1.2
301.29312	2.0
329.14926	3.3
339.12183	1.2
355.20059	1.0
361.21246	0.9
389.20627	1.3
392.19543	2.3
395.19635	1.5
463.34454	1.4
536.27563	19.3
537.27625	1.0
567.35376	24.0
595.34778	100.0
596.35382	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01526	0.3
52.34986	0.5
53.03944	0.4
55.05514	0.4
55.51885	0.3
56.11386	0.3
57.07058	0.4
60.04515	0.6
60.61344	0.3
67.05512	1.7
69.03424	0.6
69.07069	2.9
70.06593	1.9
70.78029	0.6
70.78377	0.6
72.08130	0.6
73.05618	0.3
79.05502	0.6
79.52725	0.3
81.03432	0.6
81.07043	1.4
84.08146	7.0
85.02903	0.7
85.08897	0.4
86.09705	23.9
91.05467	4.4
93.07041	2.8
94.06555	0.4
95.04970	2.1
95.08599	0.4
97.06519	0.7
102.18791	0.3
103.05463	7.0
105.07025	0.9
106.84222	0.3
107.04967	0.7
107.08591	1.3
109.10146	0.5
112.07586	1.9
117.07028	0.5
118.09919	0.4
119.04933	2.4
119.08600	0.4
120.08104	100.0
121.08397	0.7
123.04427	0.7
123.08080	0.4
128.10715	12.4
130.06566	0.8
131.04910	0.5
132.08099	0.8
133.10109	0.5
135.04449	0.6
136.07562	2.4
146.06032	1.3
147.04395	1.9
149.06062	0.5
153.01814	1.1
156.10159	2.2
157.10123	0.5
159.11719	0.3
160.07640	1.7
161.05981	0.6
161.09665	1.1
163.03937	1.5
163.07520	0.6
165.05482	1.2
167.07071	0.9
167.10710	0.3
174.12788	0.6
175.08713	0.6
181.05005	0.9
182.08092	2.0
185.09663	1.1
187.11130	0.5
189.05392	0.3
189.09103	9.8
190.12383	0.4
202.12262	14.4
208.13359	0.3
212.10678	0.9
213.09148	1.0
214.12267	0.9
219.14923	0.8
225.15868	0.8
230.11794	0.9
231.10162	8.9
231.14986	1.9
242.11864	0.6
248.12825	14.2
258.11072	0.5
259.14417	3.3
259.16895	0.5
265.15509	4.1
267.17014	8.4
271.05862	0.3
275.13889	1.4
276.12344	0.6
287.05655	0.7
293.14917	2.2
329.14929	6.0
349.19211	0.8
367.12900	1.3
377.18585	0.4
386.24432	0.6
395.19656	10.3
412.22440	2.0
414.23987	0.6
422.20923	1.6
423.19254	2.6
440.21793	15.3
448.24362	1.3
468.21310	1.2
470.26904	0.4
536.27820	0.5
577.29828	0.5
595.31140	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.6
57.03421	9.0
60.39617	1.9
65.03919	3.5
67.05500	40.6
69.03432	2.3
69.07054	6.2
70.10334	6.6
70.10749	4.8
75.12908	2.2
79.05487	22.1
80.11702	1.7
81.03412	16.7
81.07051	31.6
83.08611	2.8
91.05463	14.5
93.07047	19.0
95.04993	2.8
95.08601	26.6
98.98458	38.7
98.99054	3.8
105.07037	3.9
107.08601	10.1
109.02879	12.6
109.06537	2.1
109.10138	10.8
117.09447	1.7
119.08585	6.3
120.73015	2.3
121.10145	12.1
123.11678	3.2
127.03857	3.6
131.08554	6.0
133.10133	3.1
135.11691	7.9
139.99339	2.2
145.10133	3.1
149.13246	3.3
155.01015	3.3
159.11719	2.8
161.13229	4.8
173.02107	3.6
261.03632	12.3
261.22141	4.8
269.63513	2.2
303.04822	5.3
335.07306	4.4
335.25778	100.0
336.26279	2.9
342.99933	2.3
433.52310	2.2
603.39209	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99786	2.7
55.05508	16.9
57.03438	7.9
67.05172	4.7
67.05511	58.3
69.03423	4.8
69.07074	15.0
71.04975	2.6
71.58504	4.2
79.05502	31.0
81.03423	10.4
81.07059	55.2
83.08639	7.7
85.06542	3.0
91.05465	24.5
93.07049	49.3
93.76723	2.9
95.04993	5.8
95.08612	45.6
97.06546	4.0
97.10182	2.9
98.98471	68.7
105.07031	23.0
107.08609	28.4
109.02908	10.7
109.10172	15.1
111.08157	3.0
116.99557	3.6
117.07073	2.7
119.08580	16.2
120.97788	2.9
121.10143	19.5
123.11724	8.9
130.41461	2.5
131.08575	8.2
133.10127	12.8
135.08105	2.6
135.11693	14.0
136.59872	3.1
145.10124	10.4
147.11710	10.4
149.13269	9.5
155.01021	26.3
159.11671	7.4
161.13335	7.5
163.06047	3.2
163.14896	3.7
173.02240	3.4
173.13263	4.4
175.14824	3.7
187.14728	4.0
199.71675	2.6
233.22661	2.9
243.21162	12.2
261.03726	6.5
261.22220	26.3
287.05521	4.9
292.16623	2.7
317.06366	3.0
317.24753	8.8
335.07379	6.6
335.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00777	1.9
53.03938	4.5
55.05508	13.8
57.03439	8.8
65.03951	2.1
67.05507	41.4
69.03405	2.4
69.07068	11.7
69.83290	10.1
69.83700	4.5
79.05495	22.8
81.03424	17.1
81.07058	36.3
82.17908	1.9
83.08612	3.7
85.02908	3.0
91.05473	13.3
93.07043	24.6
95.04953	4.1
95.08606	30.4
97.10136	2.5
98.98465	39.7
105.07027	7.6
107.04929	2.7
107.08572	14.3
109.02871	12.9
109.10152	11.0
119.08576	8.9
121.10168	10.0
123.11706	4.3
127.03928	2.4
131.08542	5.3
133.10126	5.7
135.11682	6.1
137.02333	5.4
137.13258	3.0
145.10100	4.2
147.11662	3.0
149.13277	4.7
153.01770	3.0
155.01041	4.4
159.11679	3.1
161.13240	3.5
163.05988	4.6
173.13251	2.4
219.13907	1.9
229.04944	3.6
243.20905	1.9
253.77994	2.1
257.04391	2.2
261.03821	12.9
261.22116	3.7
275.20087	3.8
303.04977	43.4
304.26520	2.0
315.04977	2.3
317.24835	2.5
335.07272	3.1
335.25790	100.0
336.25958	3.1
418.59598	2.0
537.84741	2.1
577.24280	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01860	1.5
55.05511	6.0
57.03445	0.7
65.03934	1.3
65.16009	0.4
67.05503	9.4
68.99799	0.7
69.03428	1.0
69.07065	19.7
71.04968	0.5
71.57973	0.5
79.05489	8.2
81.03414	1.9
81.07050	7.3
83.04987	2.5
85.06549	0.6
91.05466	4.3
93.07041	11.1
95.04956	3.8
95.08601	9.7
97.06519	2.7
97.10154	2.2
104.97050	0.5
105.07034	2.5
107.04943	1.5
107.08593	2.3
109.02854	0.7
109.06561	0.6
109.10155	1.8
111.00743	0.7
117.07029	1.1
119.04963	0.8
119.08576	1.2
121.02870	0.7
121.06512	0.8
121.10128	4.3
128.24243	0.4
131.08598	1.4
133.10107	0.6
135.08026	1.3
135.11679	0.7
136.06180	1.8
137.02283	2.5
139.11153	1.4
145.10106	0.8
147.11641	0.8
149.05994	3.1
149.09596	1.4
153.01843	5.5
159.11690	0.8
161.02409	0.6
161.05927	0.6
165.01817	3.1
171.04318	0.5
173.05977	0.7
175.07620	0.6
175.14780	0.6
177.12749	0.5
183.16313	0.5
187.03891	1.0
189.05392	0.5
191.03328	0.5
195.08008	0.5
201.05492	1.2
203.12738	0.9
207.13814	1.0
213.05470	0.8
215.07063	0.5
217.05011	2.2
227.03511	0.6
229.04994	2.5
237.14958	1.3
241.04900	0.7
243.06682	0.7
245.04405	2.7
246.05354	0.6
247.05814	0.5
257.04492	2.8
269.04428	4.0
271.06100	0.9
273.03918	2.9
274.04651	0.8
275.20013	2.0
285.04028	2.7
285.11017	0.6
287.05441	1.0
293.21286	2.2
298.04657	1.3
299.05515	2.0
301.03467	4.3
302.04059	3.2
303.04977	20.8
311.05560	0.6
313.03586	2.4
315.04938	1.3
326.04221	2.5
327.04971	15.7
327.08734	0.9
329.06519	1.0
339.05048	2.3
341.06570	7.9
343.07935	0.7
351.08597	0.5
353.06415	1.1
355.08218	0.6
395.11237	3.1
409.12610	0.7
411.14340	4.5
437.12622	0.6
507.16617	1.1
549.24841	2.9
559.23157	2.1
577.24286	100.0
578.24707	2.6
595.25226	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72408	3.4
71.57138	3.2
76.28596	3.1
104.51350	3.0
107.04886	3.2
110.69601	2.8
117.07034	3.1
118.06541	22.6
132.08041	5.2
135.34802	3.2
138.62729	3.3
144.08080	10.6
146.06006	73.4
159.09167	7.0
163.07571	8.1
170.06010	6.0
188.07054	100.0
195.10170	5.8
205.09726	36.5
230.34291	3.9
262.94574	3.5
484.89914	3.4
530.25275	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Pelargonin
Peak:m/z	Relative Intensity
61.05212	0.1
61.92627	0.1
67.01848	0.3
67.05476	0.1
68.99783	0.3
69.03397	0.3
69.07034	0.2
70.06558	0.3
71.04956	0.4
71.24314	0.3
77.87238	0.1
79.05469	0.2
81.03391	0.2
81.07029	0.3
85.02872	0.6
86.09689	0.2
87.59619	0.1
88.05342	0.1
89.19401	0.1
91.05464	0.5
93.07019	0.3
95.04934	0.4
95.08548	0.2
97.02857	0.2
98.97562	0.2
105.06931	0.2
106.84032	0.1
107.08590	0.2
109.06480	0.2
119.04933	1.1
121.02835	0.4
127.03954	0.3
131.08536	0.3
133.10110	0.4
145.02785	0.4
153.01814	2.8
163.03917	0.4
171.02899	0.6
181.04945	0.2
191.14328	0.2
225.05507	0.2
229.04854	0.2
243.06459	0.2
248.23788	0.2
271.05978	100.0
272.06360	1.2
287.05518	1.4
329.25165	0.2
346.25845	0.3
433.11270	17.8
434.11478	0.3
449.10641	0.2
551.33063	0.2
594.31213	0.3
595.16931	0.5
595.31781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.77374	0.7
57.03418	1.8
69.03426	1.8
69.44462	5.6
69.44878	1.8
70.50211	0.7
71.04642	1.1
71.04994	11.2
81.03410	1.3
85.02902	16.8
97.02872	1.7
121.02850	2.9
129.05476	2.8
139.82036	0.9
145.05023	0.8
147.06494	1.6
153.01817	3.6
165.01846	1.9
167.07048	1.0
177.08806	0.9
183.02895	0.9
213.05594	1.5
258.05310	1.3
287.05493	100.0
288.05914	1.7
308.28812	0.9
373.00220	0.9
380.60278	1.0
401.71225	0.8
595.21179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03416	2.7
60.89587	0.9
69.03426	1.5
69.46153	3.2
69.46577	4.8
71.04993	12.4
76.35556	0.9
77.70689	1.0
81.03427	1.6
81.07070	1.3
82.91073	0.9
85.02908	18.3
91.05463	0.9
93.07017	1.3
95.08615	1.5
97.02871	1.7
105.07012	1.2
107.08547	1.1
107.74738	0.9
111.04443	1.0
121.02833	1.9
121.06512	1.1
127.03914	1.1
129.01820	0.9
129.05449	3.2
137.02386	1.2
147.06514	1.2
153.01813	3.5
163.03937	1.4
165.01971	1.1
208.07777	1.2
213.05487	1.3
266.83115	1.0
287.05499	100.0
288.05801	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
54.67379	0.2
55.01854	0.3
55.05500	0.2
57.03198	0.2
57.03432	2.0
61.02907	0.6
68.99803	0.5
69.03419	1.1
70.06562	0.4
71.04989	11.5
71.57397	0.3
73.02899	0.4
75.04446	0.3
79.05458	0.3
81.03425	0.8
83.04967	0.6
84.08109	0.2
84.90772	0.2
85.02899	15.9
86.09692	0.3
90.46136	0.2
91.05482	0.2
95.04946	0.3
97.02885	1.1
99.04443	0.3
105.03378	0.3
105.07018	0.2
107.04932	0.3
109.02838	0.4
111.00797	0.7
111.04437	0.4
121.02872	2.6
123.39223	0.1
127.03896	0.7
129.05476	3.0
129.06927	0.2
133.02823	0.4
137.02336	0.6
142.65872	0.1
143.34230	0.2
145.04951	0.9
145.06047	0.1
147.04411	0.6
147.06520	0.7
149.02182	0.2
153.01826	2.9
157.06451	0.4
165.01823	1.4
167.07005	0.2
183.02850	1.0
183.31363	0.2
185.05940	0.4
197.05994	0.2
213.05429	1.0
225.05426	0.2
231.06543	0.6
241.04800	0.9
246.32451	0.2
258.05139	0.8
259.05975	0.4
271.06039	0.5
286.04514	0.2
287.05478	100.0
288.05789	1.9
299.05582	0.3
318.99506	0.2
329.06567	0.9
353.06555	0.3
449.10571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57854	0.4
53.03934	0.7
55.01859	0.6
55.05505	5.4
56.05026	1.7
57.03436	6.1
57.07072	0.6
58.06591	1.6
59.04991	1.5
60.04514	0.7
60.08160	6.3
61.02920	0.6
67.05499	6.3
69.03426	23.1
69.07058	5.3
70.06577	3.2
70.63826	1.6
71.04995	1.4
71.41859	0.4
72.08161	0.9
73.02918	0.9
74.06075	3.4
75.04469	1.4
79.05488	2.3
81.03403	1.7
81.07051	7.7
82.06576	0.6
83.08610	2.1
84.08143	3.9
85.02898	20.7
87.04459	10.0
91.05447	1.3
93.07039	2.8
95.04974	0.8
95.08604	7.6
95.85903	0.5
96.08105	3.0
97.02880	11.7
97.06552	1.8
97.08936	0.6
97.10144	0.9
98.09682	3.6
99.04457	0.9
102.38074	0.5
103.05447	0.6
107.08579	1.1
109.02898	0.8
109.10145	3.4
110.09733	1.1
110.50703	0.6
114.09172	2.0
115.03922	7.9
120.08083	9.1
121.10121	0.8
123.11713	0.9
127.03937	1.9
133.04951	3.9
135.11639	0.6
138.09175	0.5
145.04951	0.6
151.21413	0.5
161.06033	1.2
167.07037	0.7
177.09167	0.5
189.09076	0.6
190.12195	0.7
202.12328	0.7
231.10158	0.7
236.23782	1.6
248.12755	0.5
264.26852	35.6
265.27231	0.7
280.26312	1.1
281.26764	0.6
282.27884	34.9
287.05515	1.7
298.27359	0.8
299.27713	0.8
300.28946	43.9
324.28891	1.1
332.38849	0.6
342.30078	2.0
402.15555	1.0
432.33282	1.4
444.33185	1.8
462.34216	17.0
504.35236	0.8
536.27814	1.0
567.35065	1.3
576.37555	1.4
594.38446	100.0
595.34448	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92908	6.4
53.03912	6.7
55.05495	13.3
67.05486	16.5
69.03435	34.2
69.07053	11.4
69.27465	69.7
69.27886	16.3
70.06586	12.6
75.63504	6.4
79.05491	10.2
81.03394	18.1
81.07045	28.6
83.04958	20.7
83.08591	10.0
85.02901	35.0
91.05457	9.8
93.07033	17.7
95.04970	44.6
95.08610	19.6
97.02881	18.9
97.06522	22.9
99.04411	14.6
105.07020	25.5
107.08589	40.5
109.06506	26.2
109.10186	39.5
115.07549	13.4
119.08548	21.6
121.10138	24.5
123.08133	7.7
123.11665	12.8
127.03921	16.8
131.08560	16.2
133.10120	77.0
135.08054	18.7
135.11687	25.6
145.05035	8.6
147.11646	19.9
149.13255	11.9
151.11119	11.3
153.09113	16.5
163.14818	9.2
166.12247	6.9
167.14316	17.0
173.13281	59.5
175.14803	15.5
191.14320	66.5
206.10239	31.1
209.15364	100.0
227.16443	44.4
234.14879	8.9
253.83522	6.8
271.05988	21.6
414.24680	9.9
576.30609	8.0
594.30310	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58258	1.2
64.48525	1.3
69.59486	1.2
69.74886	3.2
69.75300	7.1
70.75143	1.4
85.71124	1.2
98.21484	2.4
112.93157	1.3
114.83860	1.2
176.77499	1.2
271.16885	1.3
285.66116	1.3
403.19214	3.8
404.20193	2.1
405.20837	1.8
417.21002	2.9
419.22275	3.8
430.17310	2.2
431.17963	8.9
433.23950	8.5
445.19843	11.5
446.20877	5.0
447.21909	4.8
459.22049	4.6
460.22644	14.2
461.23203	11.3
474.24179	1.7
505.22430	4.2
505.85184	1.4
533.25458	42.1
593.27545	100.0
594.27679	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2752
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.37435	0.7
53.38116	0.6
64.22807	0.8
71.50584	0.8
82.85547	0.8
83.57337	0.8
138.86192	0.8
144.94794	0.7
196.35254	0.7
218.63780	0.8
308.72131	0.7
389.17636	1.3
390.18607	0.8
402.18350	1.2
403.19110	3.1
405.20746	1.4
416.20001	1.1
417.16214	1.1
417.20862	3.0
418.21463	2.2
419.22324	3.9
431.18344	10.7
432.19153	1.9
432.24136	0.9
433.24353	7.9
434.24707	2.1
445.20010	11.5
446.20734	5.5
447.21802	7.1
449.23520	0.9
459.21362	4.1
460.22574	15.3
461.23215	12.8
473.23413	2.2
476.26028	1.0
477.22546	1.2
487.24875	1.5
489.26779	1.1
491.24643	1.1
492.25189	1.9
505.21960	8.7
519.23804	1.7
533.25482	33.0
534.25903	1.5
565.27551	1.1
593.27563	100.0
594.27710	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01852	0.7
55.05515	4.0
55.42862	0.6
56.05028	0.7
57.03436	5.9
59.04990	1.1
61.02908	0.8
67.05502	4.2
69.03423	18.4
69.07069	5.5
69.93338	3.4
69.93750	1.4
70.06589	6.1
71.04987	0.9
72.08138	1.1
73.02904	1.6
75.04443	1.1
79.05479	3.7
81.03407	1.9
81.07059	4.3
82.06584	2.3
83.08602	0.8
84.08128	2.6
85.02898	20.1
85.06574	0.7
86.06064	2.6
86.09687	1.0
87.04461	9.9
91.05466	3.6
93.07021	3.1
94.06571	3.4
95.04991	1.4
95.08601	4.3
96.08141	4.8
97.02886	12.0
97.06448	0.7
98.06033	1.0
98.09682	1.4
99.04449	1.0
105.07040	2.3
107.08595	1.7
108.08131	3.2
108.08770	0.7
109.02882	1.1
109.08883	1.1
109.10166	2.2
110.09676	2.4
115.03918	5.2
116.10715	5.6
119.08598	2.8
120.08099	1.1
121.02897	2.6
121.10136	1.4
122.09637	4.3
123.08092	0.8
127.03893	3.4
131.08592	0.7
133.04965	2.3
133.10204	1.0
136.11258	0.7
137.06004	1.1
137.09544	0.8
138.99806	0.7
140.10693	1.7
143.08498	0.7
145.04982	1.2
149.02385	1.0
205.04454	0.6
222.22209	1.7
260.23566	0.7
262.25266	20.4
263.26022	0.7
280.26337	45.3
287.05435	4.6
298.27374	56.0
299.27643	2.0
316.21198	7.4
317.21594	0.7
340.28412	2.3
344.24365	1.5
357.16562	0.7
430.31992	0.9
460.32657	20.6
461.32764	0.8
461.55692	0.8
478.26343	1.3
592.36896	100.0
593.27618	1.9
593.37415	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02618	0.5
65.97097	0.5
67.57148	0.5
69.03409	0.8
70.06586	1.1
71.57350	0.9
83.04964	0.5
84.08157	0.9
85.02917	1.3
86.09724	0.6
95.04943	0.6
96.44939	0.5
135.04396	1.6
151.03886	1.3
163.03896	5.1
164.04288	0.5
167.07103	1.3
203.05362	1.0
219.85153	0.5
237.02766	0.7
260.82605	0.5
287.05548	1.3
301.65936	0.5
411.20004	3.2
591.26239	100.0
592.26758	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38836	0.3
53.03940	0.5
55.01873	0.4
55.05519	0.7
60.79753	0.4
65.03928	0.6
67.05503	9.2
69.07059	0.7
69.42010	2.7
79.05492	4.4
81.07053	2.2
83.04954	0.4
87.09120	0.3
91.05466	4.0
93.07044	1.5
95.04966	1.8
95.08614	1.2
97.06502	0.5
103.05466	4.4
105.07025	10.3
107.04986	0.4
107.08566	1.7
109.06535	0.6
109.10172	1.8
115.05469	1.1
117.07015	1.2
119.04933	0.8
119.08583	0.6
120.05742	0.5
121.06503	0.8
121.10126	0.8
123.04399	0.4
123.08087	0.7
128.06224	0.5
129.06993	1.1
131.04959	1.6
131.08566	0.5
133.06499	2.3
133.10144	0.4
135.04407	1.0
135.08025	1.5
137.05948	1.9
141.06987	0.5
143.08592	0.3
145.06473	1.9
147.08087	0.4
148.05211	0.9
149.05991	4.7
149.82468	0.4
151.06377	0.3
151.07532	6.3
158.07210	0.3
158.83839	0.3
159.04425	0.4
159.08086	0.7
161.05991	2.2
161.09610	0.4
163.07532	100.0
163.71231	0.3
164.07851	0.8
165.09132	1.9
173.05968	1.1
173.09688	0.5
174.06798	1.0
175.07555	5.4
176.08278	0.4
177.09129	2.3
179.07045	0.7
181.08583	58.6
182.09010	0.6
185.05981	0.6
185.09589	0.4
187.07533	3.2
187.89372	0.4
189.09103	10.6
191.10579	0.7
199.07567	0.9
201.09099	1.2
203.10638	0.9
207.10127	4.0
210.67677	0.4
211.11169	0.4
213.09227	0.6
217.12146	0.6
225.08972	0.6
235.10519	0.3
235.13031	0.4
243.13969	0.4
245.15340	0.5
245.82872	0.5
257.15286	1.1
271.16827	0.5
273.18439	0.6
275.19989	0.5
278.09155	0.3
289.14429	0.5
295.16873	0.4
299.12637	0.4
311.12564	0.4
315.15863	1.5
327.15833	0.8
357.20416	0.5
369.20639	0.4
376.58640	0.3
395.25833	0.4
397.23718	0.5
411.25247	1.6
423.25388	1.7
465.22543	0.6
519.28156	0.4
555.30383	0.5
573.32062	4.9
591.32745	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2598
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
67.31366	3.2
70.30653	3.2
71.32833	3.5
72.00089	3.1
75.08763	3.0
78.12367	3.6
122.65622	3.1
132.99203	3.0
162.87140	3.2
415.19116	6.9
416.19427	3.5
429.20660	7.9
430.21655	5.2
431.22598	3.9
443.22580	4.4
444.22961	9.1
445.23972	7.2
459.25928	4.3
473.23282	4.2
474.24084	6.8
487.24911	29.8
531.23865	17.7
532.24164	5.1
585.46014	4.0
591.26025	100.0
594.14124	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05502	2.4
57.07077	1.3
59.04997	3.5
61.02906	0.7
62.11722	0.6
64.19467	0.5
65.03912	0.6
67.05489	1.7
69.03413	2.6
69.07065	17.2
70.30616	0.7
70.30972	2.6
71.08633	1.1
73.02908	1.1
73.06548	0.9
81.03401	2.4
81.07066	2.0
83.08611	1.2
85.02889	3.5
85.05685	0.5
86.73808	0.5
87.00808	1.0
90.64684	0.7
91.05495	1.8
93.07042	0.7
95.04985	0.8
95.08573	0.9
97.02907	1.5
99.04438	1.2
105.01881	0.8
105.07021	1.5
106.59624	0.7
109.02882	1.5
111.11711	8.7
119.08576	0.8
120.74920	0.6
121.02883	0.8
121.06503	0.9
121.10175	0.8
123.04464	1.1
127.03771	5.7
129.12772	3.7
137.02312	0.9
137.06009	1.2
145.04951	1.1
145.06517	0.8
145.10049	0.7
149.02335	4.4
149.05937	0.9
159.02922	1.3
159.04256	0.9
161.05968	1.5
163.03922	2.0
163.07535	1.2
167.03380	15.2
167.04726	1.1
171.08055	1.4
173.05988	1.5
174.06831	1.4
177.09125	1.1
181.08507	0.7
185.04247	1.7
186.06729	1.0
187.07533	1.0
189.95615	0.7
201.03191	0.6
201.09111	5.7
203.05280	2.3
203.10635	3.1
205.08578	21.4
227.05313	2.5
229.03215	1.2
229.12195	5.6
245.06328	18.5
246.94563	0.6
267.06497	7.3
271.04276	0.6
289.05301	22.2
289.08725	1.6
290.05756	0.9
305.24982	0.8
323.13034	0.9
323.16434	4.4
323.63904	0.8
331.10022	2.0
341.13971	4.5
341.19440	7.7
343.21133	0.7
375.08997	4.9
399.20013	1.7
411.25275	0.7
441.20926	3.8
485.19916	1.7
503.24689	1.9
545.17426	1.1
545.25690	21.8
545.32776	0.9
546.25812	1.1
589.24634	100.0
590.24817	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01875	4.5
57.03414	2.9
57.18329	0.7
61.02936	2.4
61.50152	0.8
65.03928	0.9
68.99779	2.7
69.03426	16.7
69.07061	1.6
71.04990	2.4
71.58594	1.5
73.02908	3.8
75.04654	0.8
81.02978	1.5
81.03418	18.0
81.07034	1.9
83.01340	1.2
84.61816	0.8
85.02905	24.6
87.00839	11.1
88.62254	0.8
88.72854	0.8
91.03934	1.0
91.05472	11.8
93.07014	1.1
95.04996	1.5
97.02897	9.2
99.04459	6.1
103.03916	1.2
103.05437	1.0
105.01872	6.7
105.03405	0.9
105.07021	1.4
109.02882	13.2
111.92186	0.8
115.05423	2.0
117.01827	2.3
117.06988	2.2
119.04935	15.4
121.06489	1.5
123.04433	2.2
124.85658	0.8
127.03922	19.4
129.01846	2.2
137.05978	1.9
145.04974	6.3
145.06476	3.0
147.02922	1.6
147.04309	1.2
147.08023	1.1
149.05981	83.4
151.07529	2.4
159.02908	8.8
159.08064	1.2
161.06006	2.0
161.09660	1.0
163.07559	8.8
171.08058	1.1
173.06010	1.7
175.07545	25.5
187.07520	2.5
189.03896	0.9
189.09082	3.1
191.07079	1.6
203.06938	1.0
205.12239	100.0
217.08572	2.6
225.09067	1.2
231.04938	1.7
231.13797	15.3
240.07675	1.2
243.13815	5.2
245.15372	2.6
247.13271	1.1
253.08592	1.3
265.08759	0.9
273.14877	4.4
283.09680	8.3
285.11224	15.2
297.14697	1.0
301.93069	0.9
309.11365	1.9
325.10733	1.0
339.15881	9.1
341.17444	14.2
351.12308	3.6
365.17444	2.6
383.18457	5.0
393.13629	1.0
405.11847	2.5
407.18442	1.7
435.15704	1.1
443.16965	3.6
461.17947	1.3
497.14154	2.9
515.15503	2.6
533.16620	6.3
589.31311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88110	2.6
55.05489	3.7
56.61498	2.7
57.03440	3.6
57.20872	2.8
62.99506	2.7
65.03931	3.2
67.05505	5.6
69.03427	18.9
69.84433	14.9
71.05009	3.5
73.02894	3.3
78.67269	2.5
79.05485	6.2
81.03414	20.6
81.07057	5.6
83.08608	3.2
85.02906	32.7
87.00817	10.3
87.86494	2.8
91.05479	12.7
93.07035	7.3
95.04942	4.3
95.08607	3.3
96.67901	2.7
96.69533	3.3
97.02879	12.1
99.04465	4.6
105.01847	11.4
105.06988	4.6
109.02872	19.8
119.04936	12.6
119.08571	4.6
121.10158	3.9
127.03934	24.2
131.08543	3.9
137.05962	3.6
145.04935	8.8
145.06396	4.3
149.02332	4.6
149.05978	84.1
154.46928	2.8
157.10068	3.9
159.02882	7.8
163.07584	5.5
175.07564	21.9
179.03508	3.7
184.07321	11.3
187.07570	3.3
205.12238	100.0
231.04991	3.7
231.13762	20.8
243.13779	6.6
273.14819	4.6
280.41647	3.8
283.09537	10.2
285.11160	11.5
327.12259	3.8
335.13229	2.8
339.15942	10.4
341.17426	17.9
351.11676	3.0
377.01871	4.5
383.18353	5.9
395.02716	3.9
443.16663	6.7
476.28357	3.1
533.16315	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25044	2.8
69.71935	21.0
81.99751	2.7
98.21487	5.8
207.74246	3.5
289.04544	3.1
302.71518	2.9
589.22620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.0
55.01850	1.2
55.05497	0.8
57.03418	0.7
57.14916	0.5
59.42355	0.4
62.32803	0.4
65.03905	0.7
67.05486	0.9
69.03421	3.3
69.07034	1.8
69.95726	2.5
73.02900	0.5
79.05473	1.2
81.03393	2.6
81.07018	2.2
81.07436	0.6
83.05003	0.7
85.02896	4.6
87.00804	2.1
89.57752	0.5
91.05474	4.2
93.07040	1.0
95.01292	0.6
95.08591	1.2
96.33348	0.5
97.02872	1.4
99.04427	1.5
105.01836	1.3
105.07014	1.7
107.04945	1.0
107.08572	0.9
109.02848	2.1
109.06490	1.0
117.07074	0.7
119.04907	2.7
119.08552	2.8
121.02846	0.7
121.10163	0.7
123.00764	1.0
127.03908	3.8
128.06198	0.8
129.06998	2.2
131.08528	0.8
133.06474	1.0
137.02373	0.5
141.06963	0.7
145.04973	1.2
147.04390	8.4
147.08035	6.1
149.02303	4.6
149.05994	1.0
151.03882	2.3
157.06454	1.4
159.02882	0.9
161.02332	12.4
161.05951	4.8
163.03874	2.1
167.01976	1.1
167.03383	18.2
175.03873	2.0
175.07494	2.8
183.08099	0.4
185.05948	4.6
188.04630	0.7
194.87190	0.5
198.13109	0.6
203.07011	100.0
204.07373	1.2
204.11020	0.5
221.08076	7.2
221.11664	1.0
239.06886	0.5
255.06450	1.4
269.08020	6.8
281.08054	1.3
281.11417	0.5
289.05292	1.1
305.24783	0.8
323.12741	66.9
324.12979	1.0
341.13766	9.5
479.24893	0.7
517.13623	0.9
521.98480	0.6
571.30530	1.1
589.24341	6.3
589.31812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01860	4.1
57.03424	1.9
61.02897	2.2
61.55511	1.1
67.05488	2.5
69.03429	12.1
69.07063	1.4
69.31429	12.1
70.06567	1.2
73.02908	2.0
79.05488	3.4
81.03423	13.3
81.07052	4.9
85.02906	18.6
87.00818	7.9
89.47326	1.3
91.05466	4.4
93.07023	1.7
94.04176	4.5
95.04978	2.0
95.08592	3.4
97.02891	6.7
99.04454	3.3
103.05451	4.2
105.01865	6.4
105.02470	1.1
105.07020	5.4
107.04927	3.5
107.08589	1.7
109.02881	9.9
109.06498	3.3
109.10133	1.6
109.18758	1.1
115.03915	1.3
115.05445	4.7
117.07014	1.6
119.08582	4.1
120.08115	1.8
121.10136	1.3
122.03642	7.5
124.81348	1.1
127.03914	12.6
128.06209	4.3
129.01898	1.5
129.07033	1.6
131.04909	5.3
132.05690	3.4
133.06461	3.2
133.10141	2.0
137.05974	100.0
141.06996	2.5
145.04962	2.9
145.06514	1.2
146.03609	1.8
147.08041	4.1
149.06024	2.0
151.07594	1.4
159.02905	5.1
160.05174	3.4
161.05974	16.1
163.07539	12.6
165.01849	1.6
167.07144	1.9
171.08038	2.6
175.07536	55.9
183.02876	1.4
184.05162	2.3
187.07509	3.9
189.09149	2.0
191.08624	3.6
199.07516	21.1
201.09091	2.1
202.07784	6.5
203.08565	13.8
205.06528	2.3
219.08093	7.9
220.08784	3.8
225.15681	1.2
230.07330	1.9
231.05013	1.4
231.05501	1.6
231.08052	18.0
232.08813	4.3
233.09596	1.5
235.11253	1.4
247.07545	4.3
248.08452	7.5
249.09053	1.8
251.10742	3.6
259.07535	12.4
260.08313	3.3
261.09140	1.8
263.10544	9.0
265.08612	2.2
275.06924	1.3
276.07727	6.4
277.08478	5.5
279.10141	2.2
280.10873	2.6
290.09369	1.2
291.10147	24.1
292.10742	7.0
293.08054	3.7
295.10156	1.6
295.13303	4.1
303.10001	1.4
307.09482	1.4
308.10397	5.0
311.12802	8.8
323.12778	49.0
325.14316	2.7
356.23199	1.4
589.28009	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.6
60.08163	6.7
67.05502	0.6
69.07059	0.7
70.78217	1.1
71.07363	3.9
79.05491	0.7
81.07082	0.6
86.09705	32.4
91.05482	0.6
93.07041	0.6
95.08593	0.6
98.98489	2.3
104.10746	3.7
105.07009	0.7
107.04916	0.4
125.00002	20.9
133.10208	0.5
143.01018	0.6
159.11768	0.4
160.51363	0.4
184.07338	100.0
189.05441	1.3
326.56091	0.5
341.77490	0.4
406.85583	0.4
570.35437	1.1
588.36609	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	26.0
55.05502	38.4
65.03945	6.5
67.05173	9.2
67.05504	100.0
67.31116	6.8
67.36497	8.3
69.06728	7.5
69.07068	80.5
69.36125	71.3
71.08640	12.3
79.05484	67.8
80.14392	7.7
81.03403	9.6
81.07052	93.9
81.92088	6.6
83.04972	19.7
83.08616	20.3
85.06546	10.0
91.05477	50.6
93.07036	69.9
95.04984	18.7
95.08603	56.7
97.06523	28.6
97.10172	9.3
98.20728	13.3
105.07037	40.9
105.68362	8.0
107.04952	27.0
107.08615	55.2
109.06500	13.0
109.10136	27.5
111.04415	9.1
111.08101	8.7
117.07012	23.9
119.08566	48.6
121.10141	45.5
123.08043	11.1
123.11693	8.3
129.06967	17.4
131.08536	40.2
133.10118	33.0
135.08034	15.5
135.11665	14.4
139.11154	26.3
143.08553	10.0
145.06395	9.4
145.10159	33.7
147.11642	21.6
149.09595	20.7
155.08453	10.1
157.10139	12.9
159.11694	19.3
159.92407	9.7
161.09561	7.4
161.13266	10.0
163.11209	6.8
173.13303	15.7
183.11603	8.4
187.14825	14.7
203.12762	19.7
261.21902	10.0
273.44443	7.5
275.20096	20.2
276.20300	20.0
277.21527	16.1
287.97705	8.0
291.19580	43.8
367.30206	8.6
385.31082	14.8
533.39899	20.6
551.40552	23.7
569.41992	52.1
587.34698	10.1
587.42377	13.4
600.18329	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	16.5
55.05506	34.6
56.02238	6.2
57.03426	6.3
57.07068	18.2
62.56617	6.0
65.03925	11.0
67.05167	10.0
67.05501	99.2
69.07064	40.2
71.03872	12.9
71.04973	9.4
71.08630	47.2
79.05491	69.7
81.03411	15.3
81.07052	93.7
82.63560	6.9
83.04986	17.3
83.08617	14.4
83.51778	8.1
84.73226	6.3
85.06544	7.3
91.05476	89.1
93.07039	81.3
95.04959	29.2
95.08602	90.8
97.10159	18.5
99.07551	6.1
99.08094	38.2
102.33134	5.9
105.07026	84.8
107.04927	10.2
107.08575	39.3
109.10165	27.8
110.00780	6.4
117.06979	33.6
119.08555	62.6
121.10145	34.4
123.08037	12.0
125.09612	12.2
129.07008	20.3
131.08556	43.5
133.10112	55.1
135.08038	14.7
135.11729	26.7
137.09627	15.1
138.15454	6.6
139.11148	12.6
141.41290	6.1
143.08539	15.1
145.10133	37.7
147.11690	55.7
149.09659	7.6
151.11185	72.8
155.10713	18.8
157.10138	17.7
159.11745	39.6
161.09618	8.9
161.13245	35.3
169.10135	9.3
171.11688	19.2
173.13274	20.7
175.14853	9.2
177.12737	11.2
184.07422	7.6
185.13287	14.2
187.14882	13.0
195.13823	38.8
197.13066	7.6
201.16554	12.0
241.19501	28.0
257.19263	13.4
259.20624	75.1
260.14792	7.7
275.20050	59.1
276.20435	11.7
277.21683	30.6
293.21106	100.0
295.22794	19.9
299.89291	7.0
388.93451	7.7
391.81958	7.8
392.09436	6.7
459.94443	7.0
515.38690	9.3
525.84241	6.9
533.39807	9.8
551.41046	15.5
556.36755	7.5
569.41382	34.1
587.43420	7.5
612.00665	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	19.5
55.05523	34.2
57.07065	9.8
67.05510	66.3
69.07065	63.5
70.31522	5.4
71.27577	5.3
71.51039	9.4
75.22862	6.0
79.05490	54.0
81.03427	7.5
81.07056	79.3
83.04970	22.7
83.08612	13.8
91.05487	45.7
93.07041	100.0
95.04948	23.4
95.08613	64.8
97.06523	27.9
97.10179	11.9
99.04444	10.1
102.12947	5.9
105.07033	45.4
107.04945	25.4
107.08595	59.6
109.06559	10.3
109.10161	24.1
111.04412	29.8
117.07026	14.4
119.08602	24.2
121.06509	7.5
121.10151	48.0
123.08056	14.5
123.11664	11.4
129.06934	9.8
131.08569	21.2
133.10118	28.4
135.08040	12.2
135.11703	20.7
137.09573	14.6
139.11121	14.0
145.10106	16.3
147.11694	13.6
149.09644	29.3
149.13248	13.1
153.09111	15.2
157.10130	8.7
159.11656	12.1
161.09595	14.3
163.14809	7.7
171.11676	11.4
173.13266	8.7
175.11200	11.4
177.12694	7.4
195.13779	10.2
224.88490	5.6
243.21124	8.2
261.22134	45.7
263.19958	7.5
273.18436	19.6
275.20096	11.1
277.21579	20.3
291.19528	99.6
309.20578	21.4
387.08673	6.9
533.39972	10.9
545.51880	6.8
551.41113	15.9
569.41638	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05503	0.3
64.55318	0.2
67.05488	0.8
69.03411	0.3
69.07073	0.6
70.06583	0.8
71.03238	0.4
71.03589	0.4
72.08138	0.3
74.02452	1.3
77.03919	0.3
79.05477	0.4
81.03407	0.3
81.07068	0.5
83.29561	0.3
84.08154	2.7
85.04068	0.3
86.09679	0.4
91.05476	5.4
92.05785	0.7
93.07042	2.4
94.06564	0.9
95.04960	1.5
95.08604	0.4
96.08128	2.3
97.02863	0.4
103.05462	8.8
105.07044	1.6
107.04932	0.4
112.07581	0.6
115.05390	0.5
116.07413	0.3
117.07005	1.9
118.06524	0.4
119.04913	1.3
119.07313	0.3
120.08099	100.0
120.65054	0.2
121.06525	0.2
121.08428	0.9
123.04417	0.8
124.07571	0.6
127.03880	0.2
129.06952	0.3
130.06520	1.2
130.08618	0.7
131.04922	0.7
132.08061	0.6
133.06488	0.3
133.10097	0.4
136.07555	2.4
141.10223	3.4
144.08067	0.5
145.06453	0.4
146.05988	0.9
147.04402	1.0
148.07555	0.7
158.05963	0.3
159.06776	0.3
160.07578	1.1
161.09656	0.6
163.03957	0.4
165.05467	1.0
165.10307	0.5
169.10228	0.4
170.09650	0.4
172.11240	0.3
173.09625	0.4
174.12830	0.5
177.09178	0.3
178.27361	0.3
182.08156	1.0
185.09595	0.6
186.12770	0.9
187.11151	0.4
188.14334	2.2
189.09102	5.7
190.12263	0.6
192.06557	0.5
198.12823	0.7
199.20102	0.3
202.12250	8.2
203.06985	1.3
213.09180	0.5
214.12283	0.9
215.89951	0.3
219.10146	0.3
219.15001	0.5
230.11763	0.6
231.10138	5.0
231.14922	1.3
242.11819	0.7
247.14275	0.5
248.12811	7.3
248.15239	0.5
259.14420	2.5
265.15533	1.0
267.14886	0.4
275.13907	0.8
284.12924	0.3
321.14426	0.9
322.69513	0.3
329.14871	1.5
349.19083	0.3
367.20148	0.3
377.18542	0.7
395.19604	3.2
412.22330	0.5
422.20798	1.3
423.19226	4.7
440.21848	2.3
468.21271	14.3
469.21744	0.4
524.25928	0.3
559.29138	1.2
569.27557	2.6
570.25983	14.8
571.26428	0.5
587.29254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
53.12944	0.5
53.47580	0.6
54.34514	0.5
55.01861	1.6
55.05499	0.7
57.03443	0.8
61.02917	0.7
67.05488	2.2
68.99782	1.6
69.03423	3.6
69.07064	5.6
69.82333	1.0
69.82739	2.9
71.04996	0.7
79.05484	1.1
81.03421	4.5
81.07041	1.6
83.01344	1.7
85.02904	5.6
86.09720	0.7
87.00828	2.2
91.05480	4.2
93.03411	0.6
93.07028	1.5
95.04951	1.9
95.08599	1.0
97.02888	3.8
97.03414	0.6
97.06467	0.7
99.04415	1.0
103.80797	0.6
105.01857	1.9
105.07015	1.3
107.04926	0.9
107.08590	0.8
109.02868	2.3
114.27571	0.6
115.05440	3.2
119.04919	3.7
120.08128	0.8
121.06517	1.1
123.03573	0.9
123.04433	13.6
127.03915	5.5
128.20367	0.5
129.01833	0.8
129.06946	1.0
131.04910	1.2
133.06419	0.9
134.03639	1.6
135.04381	1.0
137.05962	2.5
141.06981	1.3
142.07898	0.6
143.04904	4.7
143.08551	1.0
144.05658	0.7
145.04948	1.6
145.06485	2.2
147.04407	12.3
148.05171	1.1
149.05965	6.9
151.07518	0.8
153.06955	0.8
155.08563	3.7
157.10123	1.0
159.02895	1.7
159.04404	1.3
161.05984	5.0
163.03932	0.7
163.07504	1.3
165.06979	1.9
167.08543	1.2
169.06450	0.6
169.10202	0.7
171.04465	0.7
171.08023	0.7
173.05975	8.1
174.06775	1.7
175.07483	0.8
178.07785	0.9
179.08543	4.6
181.06497	1.5
181.10080	1.0
182.07310	2.3
183.08057	1.3
185.05956	1.4
185.09579	1.3
187.07513	0.7
189.05522	1.2
189.09111	0.8
191.08539	0.7
194.07210	1.0
195.08046	2.2
197.05969	2.8
197.09656	2.5
198.06618	0.8
199.07524	0.9
203.10681	1.8
205.12248	1.5
207.07961	3.1
209.09726	1.4
210.06744	5.7
211.07533	2.0
212.08340	1.6
213.05473	1.3
213.09035	2.2
215.10666	0.9
222.06664	1.1
223.07524	3.4
224.08282	1.5
225.09090	6.8
227.06934	0.7
227.10583	2.4
235.07413	1.4
236.08308	0.6
237.09152	2.8
238.06259	1.4
240.07884	3.4
241.08559	1.5
250.06305	1.4
251.07091	2.7
252.07782	1.7
253.08606	9.5
254.09142	0.9
255.10196	4.3
265.08572	3.6
268.07275	2.1
269.07852	0.7
270.08978	0.9
271.09607	2.5
277.08401	0.8
281.08170	1.1
282.08649	1.0
283.09644	100.0
284.09958	1.3
285.11105	1.1
295.09641	1.5
307.09708	3.3
320.84479	0.6
325.10641	3.7
339.15906	42.5
340.16324	0.9
349.10721	1.3
363.15845	0.8
381.16956	2.2
391.11536	0.8
495.12671	0.6
513.14111	1.1
531.14923	0.9
549.40576	0.7
587.19794	0.8
587.27979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57672	1.5
52.69252	1.6
53.03946	3.2
55.01859	3.0
56.96557	3.7
57.03432	3.2
67.05503	2.3
68.99796	2.1
69.03426	15.4
69.07052	5.1
69.88863	7.9
73.02908	1.7
79.05480	1.7
81.03421	11.1
81.07041	3.4
85.02899	27.0
87.00815	7.3
91.03974	2.0
91.05474	6.3
93.07060	1.5
95.04981	2.4
97.02873	8.4
99.04446	3.8
103.05449	2.6
105.01865	6.3
105.07057	5.6
109.02870	12.7
109.06467	2.0
111.08047	1.8
115.05465	4.4
119.04926	5.3
119.08560	3.2
121.06483	2.0
123.04424	10.5
127.03911	19.2
128.06238	12.7
129.01877	2.0
129.06967	3.3
131.08572	2.4
135.04379	2.4
137.05998	2.7
141.06999	2.5
143.04898	2.2
143.08575	19.8
145.05025	4.1
145.06479	3.3
147.03348	1.8
147.04420	11.9
147.08086	2.5
149.05991	12.0
153.06978	2.0
155.08478	1.9
159.02901	5.7
159.07997	2.6
160.05272	1.9
161.02391	3.5
161.06001	7.7
163.03931	11.1
163.07553	13.6
171.08041	37.7
173.05998	10.0
173.09544	1.7
175.07501	4.2
179.08568	5.5
181.06529	1.7
181.08531	8.2
182.07387	2.3
185.09593	7.1
189.09059	2.3
197.06140	1.6
197.09663	9.8
199.07509	1.9
203.07051	46.3
203.10667	100.0
207.07986	1.8
210.06744	3.6
213.00636	1.9
213.09085	3.8
219.06419	2.0
225.09190	4.6
229.12221	35.5
231.04884	2.4
240.07857	2.2
241.12148	2.0
245.11719	2.1
253.08647	6.1
255.10194	2.3
271.09531	3.5
281.08109	7.5
283.09644	57.0
285.11063	3.6
299.09180	2.1
325.10645	3.2
337.14328	6.1
339.12152	7.0
339.15915	38.2
355.04910	3.6
360.08646	12.1
360.58765	5.9
380.60007	2.1
381.17166	3.8
537.42920	2.1
587.18768	2.9
587.28204	15.2
606.35889	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01860	4.5
57.03424	2.4
61.02909	2.0
62.68756	1.7
67.05492	2.8
68.03014	1.6
68.99776	3.6
69.03429	15.5
69.38181	1.7
71.04993	3.6
73.02917	4.1
77.24394	1.8
79.05470	2.9
81.03405	20.0
81.07049	3.7
82.59096	1.6
85.02896	33.9
85.62422	1.6
86.58992	2.1
87.00822	9.0
91.05474	3.0
95.04967	2.6
95.08597	2.9
97.02890	10.8
98.21506	5.2
99.04438	5.8
102.59032	1.9
103.03945	2.8
105.01842	6.3
105.07023	4.6
109.02857	15.1
115.05450	2.3
117.07049	2.0
120.08062	2.5
123.04447	4.5
127.03911	19.9
128.06206	9.0
129.07050	3.0
131.08524	2.1
140.17526	1.8
141.06960	2.1
143.08537	20.5
145.04933	6.3
147.04411	4.1
149.05933	2.6
159.02885	7.8
159.04268	2.4
159.08012	2.3
161.06046	2.7
163.07527	2.9
171.08041	45.0
173.05936	4.3
173.09596	4.2
175.07498	3.0
185.09648	4.0
189.08987	5.1
197.09587	6.7
203.10660	100.0
229.12207	16.5
231.05031	3.8
241.12151	7.6
243.13654	2.9
271.13141	4.0
273.85361	2.2
285.11053	2.9
288.89160	2.0
303.04999	1.8
337.14307	7.4
339.15878	15.4
348.61450	2.3
363.15912	5.1
381.16943	2.3
384.53467	1.8
405.16879	2.3
429.16489	2.1
441.15149	3.1
587.20996	3.8
587.29871	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.01861	3.6
57.03430	4.8
61.02919	2.0
62.61637	1.6
66.41744	1.6
68.99776	2.4
69.03430	13.4
70.20713	9.2
73.02910	3.7
81.03406	17.5
85.02894	23.8
87.00809	12.5
91.05460	2.6
97.02900	9.0
99.04445	6.8
105.01860	7.5
105.06969	2.5
109.02869	13.4
117.01876	1.8
123.04387	3.9
127.03906	24.0
128.06175	12.4
129.01808	2.7
139.32306	1.7
143.08557	18.3
145.04929	7.4
145.06506	2.1
147.02875	2.4
147.04430	2.0
149.05981	2.4
159.02863	7.3
171.08032	42.5
173.05930	2.1
185.09460	4.0
188.08293	3.3
189.09091	5.5
197.09598	3.5
203.10658	100.0
211.11093	1.9
213.09004	2.0
227.26944	1.8
229.12198	14.8
231.04903	2.0
241.12189	7.5
243.13765	4.5
271.13208	2.9
337.14261	9.5
339.15891	11.6
363.15817	3.3
405.17267	3.2
429.17102	1.9
441.15207	2.3
459.16190	1.9
496.15424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93391	8.3
53.85855	8.6
55.01864	12.8
55.05505	12.8
57.07067	6.5
67.05500	39.6
69.07047	18.8
69.72897	57.7
73.59702	6.9
79.05492	38.7
81.07039	27.7
83.04999	11.2
91.05481	29.8
93.07027	35.4
95.04977	11.7
95.08604	31.8
97.06523	14.8
98.21512	10.1
105.07040	23.5
107.04940	23.6
107.08582	29.4
119.08559	20.9
121.10105	17.5
122.54651	7.4
131.08572	13.2
133.10124	23.2
135.08035	19.6
137.09587	8.5
146.63756	7.9
147.11703	14.2
149.09531	10.9
159.11720	11.0
160.19687	8.0
221.15549	7.4
230.54115	7.8
257.19238	8.7
275.20071	100.0
293.21112	24.1
312.42184	6.8
372.94238	8.8
380.31003	8.1
409.82703	7.3
585.56274	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82289	0.7
67.05509	1.1
69.03423	2.4
69.33852	8.1
79.05488	1.1
81.03398	2.4
81.07035	1.1
81.94495	0.8
85.02913	2.8
91.05470	1.2
93.07046	1.4
98.21585	1.0
103.05461	1.0
105.07029	2.7
109.02869	1.9
114.51179	0.8
123.04398	0.9
127.03930	2.4
128.06255	1.1
141.05740	0.8
143.08556	3.0
149.05968	1.0
159.08145	1.0
163.07535	33.1
171.08096	5.4
172.96785	0.7
185.09605	0.9
185.32066	0.8
189.09154	1.7
203.06793	6.1
203.10674	13.9
219.06502	2.8
219.21008	0.7
261.03696	1.1
263.07593	1.7
283.06104	1.5
305.08618	0.7
321.11484	1.0
339.12152	5.7
339.15775	1.3
365.12036	12.6
407.13068	37.7
408.12973	1.0
451.12134	26.4
501.17358	3.9
543.18378	37.2
587.17303	100.0
588.17554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01871	9.0
55.05510	24.3
57.03421	4.8
57.07070	2.4
59.15896	1.5
65.03922	2.9
67.05502	40.8
69.03419	3.6
69.07065	37.9
71.04974	2.7
71.50583	3.7
74.41059	1.4
79.05488	49.3
81.03398	5.4
81.07050	42.5
83.04971	8.1
83.08605	8.1
85.06548	3.6
91.05473	38.6
93.07040	52.7
95.04970	18.1
95.08598	29.4
97.06520	13.1
97.10168	10.3
105.07027	43.2
107.04955	28.3
107.08590	30.7
107.87523	1.5
109.06524	4.0
109.10139	10.5
111.08089	2.0
115.05409	2.1
117.07004	12.7
119.08574	30.6
121.06499	5.5
121.10128	26.8
123.08057	4.4
123.11680	4.1
125.09633	5.4
128.06160	1.5
129.06987	5.9
131.08586	18.1
133.06497	2.5
133.10129	26.6
135.08032	17.7
135.11681	4.9
137.09628	4.1
139.11197	9.8
141.06934	2.1
142.07726	1.7
143.08548	5.8
145.10139	15.3
147.08116	2.2
147.11670	13.0
149.09631	17.5
149.13239	2.1
151.11127	2.9
155.08554	2.4
157.10120	6.1
159.11661	12.2
161.09688	2.3
161.13255	3.5
163.11157	5.0
165.09157	2.3
165.12741	1.7
169.10069	5.4
171.11678	5.5
173.11772	1.7
173.13263	6.3
175.11136	2.0
175.14861	3.1
183.11678	3.3
183.14011	1.7
185.13266	3.6
187.11168	1.8
187.13347	2.1
187.14806	1.7
189.11194	2.1
189.12741	1.7
197.13242	4.0
199.14854	3.6
203.12784	9.7
207.13799	4.5
211.14796	1.5
213.16301	2.6
229.19453	3.2
237.14830	4.6
239.17883	2.7
247.20514	2.9
254.08585	1.8
257.19031	11.6
273.18469	4.2
275.20050	100.0
276.20401	2.2
277.21548	2.5
291.19507	5.3
292.20435	1.9
293.21130	29.9
567.40326	6.8
585.41852	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01878	9.6
55.05269	2.2
55.05515	28.3
56.64009	1.8
57.03433	5.2
57.07071	2.6
63.14688	1.7
65.03950	3.3
67.05174	3.2
67.05502	44.9
69.03418	3.6
69.06724	3.1
69.07066	40.0
70.65185	2.6
70.65542	5.7
71.04982	7.0
77.04933	2.0
79.05493	52.6
81.03403	4.8
81.07054	46.9
83.04980	8.0
83.08625	9.5
85.06556	3.9
91.05479	41.8
93.07043	62.5
93.07639	4.3
94.81895	1.9
95.04972	20.5
95.08044	3.7
95.08604	36.6
97.06535	18.7
97.10159	12.3
105.07030	46.5
107.04959	32.3
107.08600	30.3
109.06503	5.4
109.10178	14.7
111.08048	2.6
111.54256	1.9
115.05405	2.1
117.07030	17.0
119.08580	37.8
121.06478	4.8
121.10145	23.4
123.08046	5.0
123.11710	3.9
125.09639	6.7
128.06181	3.4
129.06975	9.2
131.08575	21.7
133.10133	23.7
135.08034	17.2
135.11691	9.9
137.09595	6.1
139.11165	10.2
141.06978	3.4
143.08557	6.7
145.10120	20.0
147.08008	3.4
147.11676	14.9
149.09610	20.1
151.11247	3.3
155.08501	3.9
157.10143	4.5
159.11693	11.3
161.09642	2.5
161.13231	4.4
163.11165	4.7
163.83153	2.0
165.09171	3.2
169.10197	4.4
170.98132	1.9
171.11700	5.5
173.11935	2.1
173.13153	9.0
175.11317	2.1
177.12700	3.7
181.10028	3.2
183.11674	6.2
183.13805	3.8
185.11739	2.3
185.13228	3.5
186.13438	2.0
187.11151	3.2
187.14851	3.0
189.11153	3.7
189.12700	3.4
195.13651	2.0
197.13292	6.1
199.14905	3.5
203.12759	9.7
207.13684	2.5
213.16306	2.3
219.17419	2.6
229.19540	2.0
237.14857	5.2
239.18008	4.5
247.20522	5.0
257.19000	10.4
273.18527	5.6
275.20050	100.0
291.19653	6.5
292.20059	2.9
293.21164	26.6
313.53867	2.5
383.29562	3.1
413.30396	2.3
446.26892	2.0
509.36130	2.4
543.75018	2.0
549.38843	3.1
562.41760	2.1
567.40173	7.9
585.41449	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01864	12.3
55.05508	44.2
55.30936	4.4
57.07072	4.3
65.03940	7.0
67.05502	58.5
67.85737	4.0
69.03423	9.4
69.07063	41.0
69.29451	7.9
69.29860	39.3
71.05023	4.6
74.93384	4.2
79.05494	58.8
81.03429	6.2
81.07048	47.2
83.05007	12.3
83.08610	10.0
91.05476	73.8
92.05800	5.4
93.07044	52.4
95.04969	19.9
95.08601	42.2
97.06522	12.5
97.10175	19.0
105.07033	57.7
106.07362	10.0
107.04941	32.9
107.08588	47.4
108.08920	6.4
109.06474	11.4
109.10162	28.5
117.07020	23.4
119.08584	57.1
120.08904	8.0
121.06495	6.0
121.10134	36.9
123.08043	11.4
125.09615	16.3
128.06216	7.1
129.07024	13.5
131.08577	29.9
132.08919	4.4
133.10126	34.6
135.08054	18.2
135.11716	10.6
137.09616	10.8
139.11194	12.4
141.06989	9.3
142.07784	7.4
143.08548	22.2
144.09113	4.0
145.10110	39.9
146.10420	4.3
147.08064	8.7
147.11678	17.5
149.09608	23.4
151.11162	4.4
155.08543	6.1
157.10083	16.4
158.10457	5.9
159.11679	17.5
161.13272	7.4
163.11165	10.2
165.09067	7.4
167.08377	4.8
169.10121	11.7
171.11671	14.1
173.13251	14.1
175.14771	4.3
183.11646	14.4
184.12207	5.3
185.13231	9.6
187.14932	5.9
189.11234	9.3
193.09978	5.3
194.10680	5.3
195.11520	8.7
196.11960	5.5
197.13208	12.7
198.14014	5.0
199.14806	19.3
203.12782	10.7
207.13828	6.4
210.13725	5.5
220.75345	4.1
221.15417	9.1
222.15767	5.7
223.14835	4.4
224.15063	4.8
237.14781	5.8
239.17896	6.6
257.19058	8.9
275.20059	100.0
291.57611	4.8
293.21060	22.7
385.27588	5.6
399.29260	6.0
531.37854	6.1
549.39050	10.3
567.40576	17.3
585.41742	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
54.27929	4.6
55.01865	14.8
55.05510	30.3
57.03445	6.8
58.33332	4.3
58.58205	4.1
62.15672	4.4
62.63857	3.9
67.05507	64.1
69.06712	8.3
69.07066	73.8
70.01110	8.2
70.01527	15.1
71.04987	10.0
74.66335	4.1
77.94930	5.4
79.05493	59.8
81.03424	23.2
81.07052	70.6
83.04988	19.5
83.08644	10.9
84.64922	4.0
85.06553	8.0
91.05477	67.1
93.07049	73.3
95.04974	20.8
95.08598	54.4
95.09089	5.1
97.06528	23.7
97.10168	14.5
98.21490	5.4
105.07025	67.8
107.04949	49.4
107.08579	41.8
109.10172	23.4
111.04482	12.9
115.05531	6.4
117.07010	23.7
119.08591	73.4
121.10146	40.8
122.23577	4.1
123.08050	6.3
123.11743	4.5
125.09634	5.2
125.57446	4.2
129.07027	17.4
131.08557	36.1
133.10138	54.8
135.08049	10.3
135.11699	16.8
137.09613	10.7
139.11189	9.7
141.06926	6.5
143.08577	23.8
145.10139	33.0
147.08098	7.6
147.11696	52.8
149.09612	40.9
149.13243	14.1
153.09148	8.9
155.08549	6.8
157.10143	20.5
159.11711	31.7
161.09612	10.4
161.13271	38.8
163.11208	7.8
169.10188	16.7
171.11732	17.5
173.09570	4.6
173.13229	11.0
175.11215	10.4
175.14842	12.1
185.13268	17.8
189.12715	5.9
195.13840	12.6
197.13217	6.1
199.14743	11.2
203.10493	5.0
203.12770	6.8
213.16304	5.2
231.21207	5.3
239.17807	6.0
241.19539	30.8
257.19028	10.2
259.20532	61.5
267.20795	5.1
273.18561	28.2
275.20096	37.4
277.21564	6.4
291.19534	100.0
309.21088	4.8
383.29605	13.7
388.96817	5.0
451.32126	6.0
469.33252	9.9
549.39136	15.7
567.40656	32.4
585.41577	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	6.0
53.09179	4.5
54.13269	3.5
55.01870	9.4
55.05511	39.1
57.03432	6.2
63.51100	3.7
67.05499	65.7
69.07063	47.0
70.15547	3.7
71.04990	6.7
71.58986	7.8
79.05486	58.7
81.03417	9.4
81.07051	62.3
83.04967	12.3
83.08614	15.7
85.06525	4.8
91.05479	60.1
93.07047	65.2
95.04977	20.9
95.08610	55.3
97.06524	11.3
97.10162	12.6
103.05460	4.5
105.07034	50.7
107.04966	29.5
107.08607	44.0
109.06540	7.7
109.10159	21.2
115.05350	6.1
117.07014	20.0
119.08578	49.6
121.10144	39.1
123.08001	5.3
123.11671	6.8
125.09609	11.1
128.06183	4.1
129.07005	15.8
131.08588	27.4
133.10110	43.1
135.08026	14.0
135.11656	6.6
137.09599	11.0
139.11176	14.3
141.06963	5.1
143.08545	12.1
145.10120	29.1
147.08046	4.9
147.11676	23.5
149.09631	21.7
150.30669	4.2
151.11166	6.6
155.08482	6.4
157.10150	13.3
159.11696	13.9
161.09679	4.3
161.13245	9.5
163.11188	4.1
169.10074	7.5
171.11694	10.1
173.11778	4.7
173.13281	10.4
175.11182	5.5
181.10039	3.7
183.11736	8.3
185.13289	9.5
187.14810	5.2
189.11157	5.1
191.10602	4.0
195.11665	4.4
197.13170	9.2
199.14841	5.7
203.12796	7.2
213.16399	6.5
219.17389	12.7
239.18033	4.5
241.19481	6.4
257.18958	13.1
259.20627	6.5
273.18442	8.9
275.17288	7.6
275.20041	100.0
277.21796	6.9
291.19482	13.5
293.21042	15.2
383.29449	7.9
385.27521	8.1
397.31412	4.2
549.39191	11.2
567.40637	18.9
585.41907	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62097	4.5
53.03941	5.6
55.01864	10.2
55.05508	53.9
57.03424	15.6
67.05504	66.3
69.07066	74.0
71.05001	6.4
79.05487	79.7
81.03384	9.7
81.07061	72.4
83.04980	15.3
83.08600	17.8
91.05482	59.9
93.07039	65.8
95.04983	23.5
95.08601	49.9
96.80745	4.4
97.06522	18.4
97.10162	24.8
105.07024	53.7
107.04961	23.0
107.08588	47.4
109.06518	14.7
109.10162	14.8
111.11789	4.4
117.07007	19.9
119.08569	54.4
121.06495	7.3
121.10144	27.2
123.08051	8.0
123.11736	9.7
125.09635	10.9
129.06995	13.4
131.08539	32.3
133.10135	34.9
135.08044	21.8
135.11707	7.7
137.09601	12.1
139.11171	20.8
141.07007	7.2
143.08556	19.8
145.06429	6.8
145.10127	27.5
147.11664	20.1
149.09622	10.1
155.08531	12.2
157.10130	21.8
159.10500	5.6
159.11714	22.5
161.13258	11.1
163.11133	7.3
169.10184	9.7
171.11719	14.9
173.11887	7.1
173.13214	11.5
177.12857	5.8
183.11696	14.3
185.13290	14.2
189.11223	9.3
190.55699	4.8
191.14349	5.2
195.11707	5.7
197.13313	8.2
199.14874	13.0
201.12717	5.5
203.12794	19.3
205.21822	5.3
209.13316	5.8
211.14818	8.3
219.17410	21.4
235.14661	5.3
237.14755	7.8
239.57132	5.3
249.13338	5.9
257.18988	14.8
274.18661	7.2
275.17310	7.3
275.20081	100.0
291.19565	18.3
293.21118	36.7
313.21555	6.8
367.26486	6.3
381.27719	6.7
383.29327	11.0
385.27454	8.7
399.29019	8.7
440.11911	5.5
513.36249	7.0
549.39075	17.1
567.40674	32.4
585.41071	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05499	11.7
57.03454	1.6
63.49743	1.7
65.03612	2.1
65.03937	5.2
67.05505	100.0
69.07063	31.6
71.19544	1.9
71.19870	2.9
72.08161	2.8
79.05492	15.2
81.07056	19.7
83.05014	1.7
83.08615	4.0
91.05478	13.3
93.07037	9.9
95.04989	3.1
95.08629	7.8
97.06523	2.2
97.10173	3.1
98.54493	1.8
105.07010	9.3
107.04951	5.7
107.08585	9.0
109.06493	2.7
109.10149	31.3
117.07015	3.2
119.08576	8.8
121.10161	3.6
123.04454	1.4
129.06992	3.3
131.08572	3.8
133.06508	1.9
133.10117	6.2
134.57611	1.6
135.08009	3.2
135.11667	2.3
143.08510	3.2
145.10098	6.4
147.08076	3.4
147.11653	2.7
149.09599	1.6
155.08482	1.4
159.11658	2.5
161.05891	1.8
161.13171	1.7
171.11627	2.3
173.13330	2.2
183.08109	1.4
183.11687	1.9
185.13391	1.7
191.10632	2.1
203.12767	1.7
213.05580	1.7
221.05818	1.7
235.07500	3.3
237.09175	1.8
239.07098	3.9
247.07468	1.7
249.09190	1.7
251.07030	1.9
257.19037	3.4
263.07043	6.6
263.10001	1.6
264.07776	1.9
267.06436	3.9
275.20065	10.0
277.08636	3.9
279.06479	19.5
280.07196	3.4
289.08652	2.8
291.06528	50.1
291.09686	1.6
292.07281	13.8
293.08020	11.2
293.21088	2.7
301.08533	1.7
303.06592	3.4
303.09866	1.8
304.07199	2.9
305.08044	10.6
305.11438	3.0
306.08743	2.4
317.08026	4.2
319.09674	4.6
323.12839	2.6
329.11563	1.6
331.09912	2.2
333.11401	2.4
347.12717	13.5
347.16415	5.2
351.16049	5.5
357.14584	1.8
359.16318	1.6
362.15182	1.5
363.15683	2.3
373.14145	3.2
374.15140	4.8
375.15918	27.1
387.15808	4.8
391.15283	18.8
402.14438	2.1
403.15393	8.8
408.15540	4.5
409.16354	6.5
420.15732	25.7
421.16440	60.7
459.21564	9.4
471.21545	3.0
475.21167	3.5
476.21951	55.7
477.22586	13.3
483.25217	3.6
489.22723	4.3
499.24643	7.3
511.24744	3.5
516.24805	12.9
517.25665	5.9
529.25848	26.4
531.27527	7.1
567.30841	4.8
567.40155	2.2
585.32153	33.7
585.40936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66795	0.4
55.05499	0.3
56.28931	0.3
66.75166	0.3
67.05503	0.5
69.03424	0.7
70.06561	0.4
70.24889	1.5
70.74364	0.3
81.03426	0.5
81.07031	0.6
83.01093	0.8
85.02893	0.7
93.07032	0.5
93.24010	0.3
95.01085	0.3
95.04953	0.4
97.02797	0.5
98.03447	0.3
105.07013	0.5
107.02718	0.4
107.04955	0.4
107.08630	0.7
109.10153	0.5
113.02181	0.4
115.03680	1.2
119.01099	0.3
119.08569	0.7
122.03403	0.6
123.04181	6.0
123.11659	0.3
127.03915	0.7
133.03458	0.8
139.03654	0.9
143.03149	10.6
143.08539	0.4
145.10184	0.3
155.03188	0.8
156.03984	0.7
157.04747	1.2
159.51331	0.4
168.03983	1.8
169.04715	3.8
171.02684	1.3
175.04581	0.5
184.07323	0.4
185.04211	1.2
195.09921	0.4
210.07327	0.4
217.08543	0.8
229.06822	12.8
241.12561	0.4
243.08421	1.0
246.51805	0.3
254.17513	1.0
255.17807	0.7
259.07867	0.6
263.12418	0.6
275.07333	2.0
277.08920	12.7
299.03906	0.4
313.16605	0.5
331.17508	0.8
349.18701	1.2
351.20294	0.8
374.21863	0.4
375.21942	0.5
391.21921	0.3
431.18906	0.6
459.18307	0.7
462.82584	0.4
487.21564	1.7
499.21487	1.5
515.21307	1.0
516.21765	3.3
585.28735	100.0
586.29071	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2671
Annotation	kirkinine D
Peak:m/z	Relative Intensity
53.03944	1.4
56.96551	3.0
60.76013	1.2
67.05493	2.5
69.03419	1.9
69.07082	1.8
70.89835	1.1
70.90174	3.3
75.21346	1.2
81.03427	1.8
81.07029	1.9
85.02888	1.7
91.05478	3.5
93.07051	1.3
95.08601	3.0
98.97608	1.7
105.07037	2.6
107.08550	2.1
119.08633	1.3
127.03917	1.4
129.09608	1.0
130.95786	1.1
131.00177	2.2
134.99687	1.3
135.04495	1.5
147.11652	2.1
149.01251	3.0
163.07545	4.0
167.02252	1.4
187.07524	14.6
240.57863	1.4
241.13417	9.5
253.52901	1.5
269.01068	1.2
269.10495	2.6
269.13089	1.9
287.12213	1.4
293.05231	1.8
337.14334	2.6
349.16699	1.6
350.02875	1.3
539.24042	2.0
541.29712	3.6
552.04077	1.4
557.27435	3.6
585.26727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01875	2.8
55.05505	10.6
57.03430	2.0
57.07074	4.9
59.04993	19.3
61.02913	2.5
67.05492	1.1
67.11334	0.8
68.99780	1.4
69.03430	8.7
69.07066	79.8
69.84706	1.2
69.85114	4.0
71.04989	0.9
71.08625	2.8
73.02914	2.3
73.06553	3.9
81.03415	8.9
82.32965	0.7
83.08617	2.6
85.02905	25.3
85.10173	1.8
87.00828	11.3
87.04439	0.9
91.03984	0.8
92.81808	0.8
95.08624	0.8
97.02891	10.7
97.94650	0.8
98.20827	1.0
99.04442	4.7
105.01855	9.5
105.05501	3.2
105.07021	1.4
106.35703	0.7
109.02869	7.2
111.11716	100.0
112.12079	1.1
117.01837	1.7
121.88282	0.7
127.03917	16.3
129.01855	0.9
129.12750	86.6
145.04958	6.5
145.10030	0.8
157.18860	0.9
159.02881	4.3
163.07547	12.1
163.09654	1.1
164.07886	5.0
165.08078	2.3
181.08589	8.6
182.08931	5.0
183.09149	3.1
187.16936	11.6
195.06447	1.0
213.03891	1.9
215.16417	88.6
216.16727	1.7
231.05003	2.8
299.12897	1.0
322.57141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32438	0.7
70.76666	3.0
79.05491	1.4
85.02897	1.1
89.03935	0.8
90.50572	0.7
93.07033	1.5
98.97613	1.0
103.05458	7.0
107.04947	6.6
120.08099	100.0
121.08451	1.3
131.04939	2.1
135.04460	1.4
145.02921	0.8
146.99573	1.1
149.05971	2.3
161.01234	0.9
163.03891	6.9
164.04201	1.0
166.08630	55.1
167.08998	1.3
196.96980	0.7
237.02867	0.9
243.06564	1.8
303.57721	0.9
399.78741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15845	0.5
55.01861	0.6
55.82443	0.6
57.03417	0.8
61.02909	1.2
68.99778	1.1
69.03418	2.5
69.37921	5.6
70.06575	1.8
72.74435	0.5
81.03393	1.4
85.02901	8.2
86.09683	0.8
97.02881	3.5
98.07130	0.8
99.04445	0.8
107.04923	1.2
109.02853	1.1
120.23079	0.5
121.02836	0.9
123.04421	0.8
127.03925	2.9
133.02820	4.1
134.03586	2.7
135.04402	0.5
137.37469	0.5
141.06949	0.9
145.04939	4.3
145.06339	0.7
147.04410	1.6
147.08037	1.0
149.02306	2.1
159.08061	0.6
161.09593	0.8
163.06013	1.6
169.06471	3.0
173.05988	0.7
187.07542	1.6
191.08191	1.0
196.11331	0.6
197.05948	3.6
215.07010	41.9
216.07280	0.6
243.06505	100.0
244.06859	1.0
260.09082	1.3
260.99002	0.5
267.06500	0.7
279.06442	0.9
285.07599	0.9
303.19574	0.6
309.07416	1.1
333.00989	0.7
405.06494	1.2
405.11777	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01855	7.3
55.05311	2.1
55.05510	23.8
57.03420	2.3
57.07062	10.4
58.84353	1.8
59.04987	5.4
63.50904	2.0
65.03918	3.6
67.05176	4.0
67.05502	51.3
68.63228	2.2
68.95748	2.3
69.03420	7.8
69.06725	2.9
69.07064	32.0
71.04993	3.4
71.08605	2.3
79.05486	51.7
81.03407	2.5
81.07052	52.2
83.04964	10.0
83.08608	10.9
85.02126	2.2
85.06540	7.6
91.05473	68.2
93.07037	84.1
95.04960	22.8
95.08598	46.6
97.06528	11.8
97.10178	4.6
98.21552	3.6
98.98462	3.1
103.05450	5.1
105.07027	84.8
107.04948	47.2
107.08590	62.8
107.88753	2.4
109.06509	13.2
109.10150	35.3
111.04452	3.1
111.08082	4.1
111.11678	2.5
115.05408	7.9
116.06245	4.9
117.07011	30.2
118.56915	2.1
119.08574	100.0
121.06500	9.5
121.09320	4.7
121.10141	62.5
121.11010	3.1
123.08101	16.5
123.11713	8.9
125.09616	6.4
128.06209	13.1
129.06999	19.7
130.07780	9.5
131.08560	49.9
132.09332	3.1
133.06467	6.3
133.10127	51.8
135.08054	26.8
135.11693	16.7
137.09581	14.8
139.11162	5.5
141.06993	9.5
142.07777	25.3
143.08571	50.8
144.09311	9.2
145.10104	62.0
147.08052	17.0
147.11667	24.1
149.09633	20.9
149.13281	5.4
151.07512	7.0
151.11234	3.8
153.06947	5.9
154.07738	4.4
155.01042	3.1
155.08571	23.8
155.10620	5.5
156.09341	18.5
157.10129	51.3
157.11325	4.6
158.10915	8.0
159.08064	9.9
159.11678	28.1
161.09598	18.6
161.13231	10.2
163.11177	9.2
165.06972	4.9
165.09135	15.0
166.07813	6.1
167.08562	9.8
167.10654	40.4
168.09335	6.1
169.10121	32.0
170.10884	7.3
171.11688	35.6
172.12320	2.7
173.09653	6.2
173.11795	4.2
173.13242	29.7
175.11176	14.0
175.14780	12.0
177.09135	4.3
177.12740	3.3
179.08578	14.3
180.09294	7.9
181.10098	16.5
181.12231	5.6
182.10986	10.9
183.11656	27.9
184.12428	5.4
185.09642	3.3
185.13235	15.0
187.11203	3.1
187.14836	8.7
189.12729	5.6
189.16498	3.4
191.14288	8.8
192.09349	5.3
193.10107	17.5
193.11789	2.6
194.10927	11.3
195.11710	21.6
196.12413	5.4
197.13249	20.1
199.11163	3.1
199.14815	21.1
201.12724	2.8
201.16464	5.5
203.08401	2.6
203.14325	9.0
205.10181	5.3
206.10918	7.0
207.11691	16.1
207.13770	6.2
208.12469	8.7
209.13239	24.7
210.13998	3.9
211.14790	9.5
213.12761	3.4
213.16351	3.7
215.14304	4.8
217.15814	11.9
219.11697	7.9
220.12424	4.3
221.13242	15.4
221.15370	19.4
222.13826	3.5
223.14803	15.2
224.15462	2.8
225.16328	7.4
227.14333	3.6
229.15860	2.7
230.10921	2.5
231.11699	4.4
232.12482	3.2
233.13217	7.0
233.15398	14.8
234.13969	3.8
235.14848	10.5
236.15523	3.6
237.16333	10.0
239.17918	4.1
243.17288	2.9
245.13249	9.8
245.18951	4.1
246.14107	3.0
247.14789	8.7
249.16408	8.3
251.17892	7.5
255.17476	4.3
257.19025	11.2
259.14725	4.0
261.16370	8.3
262.17224	2.7
263.17929	6.4
265.19464	7.1
269.19110	4.5
271.14725	2.7
273.18555	34.4
275.18185	4.5
275.20328	23.1
277.19458	3.3
279.20895	2.9
281.18793	3.2
283.20560	10.0
285.18668	4.3
287.20325	3.2
291.19455	28.3
293.21301	3.1
295.20480	3.6
298.17340	2.5
301.19363	4.1
315.20972	3.7
349.25186	4.3
361.25229	3.2
365.24884	3.2
373.25620	2.6
375.26892	6.2
403.29892	3.9
427.30087	3.0
491.35065	6.3
503.35110	2.6
547.37994	3.8
565.39935	18.4
580.23553	2.3
583.41278	67.3
589.79053	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.6
53.03941	5.7
55.05504	17.7
56.38375	2.2
57.07075	12.5
65.03932	3.4
66.80152	2.4
67.05504	30.4
69.03422	8.9
69.07069	24.0
69.32664	28.8
79.05075	2.5
79.05493	31.5
81.07050	32.4
83.04998	3.3
83.08621	13.6
85.06561	4.0
85.71259	3.0
88.23386	2.3
91.04967	4.3
91.05482	49.8
93.07040	63.9
95.04980	12.7
95.08606	34.6
97.06525	5.5
103.05463	5.2
105.07027	83.2
107.07874	3.5
107.08593	55.5
109.06489	11.9
109.10146	24.0
111.08043	2.9
115.05433	4.9
116.06227	4.6
117.07021	19.7
119.08581	81.1
121.06535	5.7
121.10141	63.8
123.08082	16.7
123.11699	8.8
125.09631	4.4
128.06213	13.5
129.06989	15.0
130.07759	6.4
131.08571	33.2
133.06416	2.6
133.10133	42.8
135.08064	10.2
135.11676	15.3
137.09633	10.8
139.11134	3.5
141.07018	8.3
142.07780	26.9
143.08554	41.9
144.09337	9.5
145.06422	3.0
145.10124	54.3
147.08061	9.5
147.11682	21.3
149.09644	11.5
149.13257	3.7
151.07552	15.1
153.07016	4.5
154.07785	3.8
155.08559	20.8
155.10733	2.7
156.09341	21.1
157.08937	4.9
157.10133	54.1
158.10898	7.5
159.08064	7.2
159.11703	30.4
161.09628	5.7
161.13271	8.6
163.11217	8.0
165.07008	5.9
165.09085	18.0
166.07750	3.6
167.08632	12.8
167.10677	49.4
168.09325	10.5
169.10127	30.4
170.10959	7.4
171.08035	3.4
171.11690	33.4
173.09604	3.6
173.13242	21.7
175.11200	5.4
175.14828	10.2
179.08560	15.0
180.09389	7.0
181.10118	16.2
181.12192	5.9
182.10907	9.8
183.11696	29.7
184.12497	6.8
185.09639	3.5
185.13275	17.0
187.11177	3.2
187.14830	9.5
189.12781	8.9
191.14301	7.5
192.09355	6.7
193.10138	11.8
194.10960	10.0
195.11682	19.5
196.12534	8.1
197.13290	24.3
199.14792	14.5
201.12712	3.4
201.16425	6.5
203.14388	9.6
205.10187	4.8
206.10912	8.8
207.11702	19.9
207.13828	9.3
208.12526	6.0
209.13281	31.7
210.14017	3.5
211.11351	2.8
211.14885	16.7
213.16382	5.6
215.14351	4.8
217.10219	4.7
217.15787	7.9
218.10979	3.1
219.11742	7.5
220.12595	5.8
221.13243	15.4
221.15395	30.9
222.14052	5.1
223.11189	2.9
223.14842	19.2
225.16441	4.7
229.15976	2.8
230.10753	3.0
231.11717	7.9
232.12500	5.1
233.13229	11.0
233.15388	19.3
234.13937	3.9
235.14890	11.6
236.15633	6.6
237.16443	10.9
239.17989	6.7
241.15988	3.1
243.11690	3.2
245.13226	8.0
246.14125	7.1
247.14752	12.1
249.16452	9.5
251.17967	5.8
254.25058	2.8
255.11737	3.3
257.13297	3.9
257.19006	9.2
258.13962	3.9
259.14774	9.3
260.15698	5.6
261.16473	11.9
262.17252	4.1
263.17941	6.1
265.19595	6.4
269.19037	5.7
271.14758	4.3
273.16293	3.9
274.17352	3.1
275.17987	10.9
277.15686	2.6
277.19528	3.2
279.21246	2.6
281.18906	3.1
283.20538	17.7
287.17508	3.5
289.19446	6.8
293.19092	2.9
295.20609	3.5
297.22229	3.5
303.20929	3.4
323.17975	2.9
331.24106	4.2
335.23932	4.1
347.23648	3.4
349.25320	6.0
375.26819	6.7
403.29895	7.3
547.39258	5.8
565.40521	30.5
583.41406	100.0
584.41876	4.9
596.55591	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01864	9.0
55.05508	48.2
57.03418	6.9
57.07072	23.5
59.04984	5.9
65.03923	6.1
67.05179	5.1
67.05505	73.0
69.03420	10.6
69.07070	32.1
69.32381	16.4
69.32813	16.9
71.04964	4.3
71.08614	13.6
79.05492	95.2
79.64926	3.2
81.03402	13.3
81.07059	60.5
83.04982	30.3
83.08605	17.8
85.06554	6.5
85.10184	6.4
91.05478	80.9
93.07039	85.6
95.04963	30.8
95.08050	5.9
95.08605	67.4
97.06512	12.7
97.10172	14.8
98.98465	42.5
103.05421	4.4
105.07029	89.9
107.04950	100.0
107.08592	68.3
109.06510	11.9
109.10153	45.5
111.08043	5.2
115.05437	4.0
117.07022	25.3
119.08578	97.5
121.06481	11.7
121.10141	43.9
123.08038	18.0
123.11682	10.4
125.09650	8.0
128.06221	9.2
129.06982	20.8
130.07771	7.0
131.08559	44.0
133.06464	5.9
133.10135	54.1
135.08041	39.0
135.11708	12.9
137.09634	22.9
139.11215	4.8
141.06973	5.4
142.07787	13.4
143.08531	33.1
145.06485	4.2
145.10114	48.8
147.08040	20.5
147.11690	28.1
149.09621	63.5
149.13239	5.0
151.07541	13.9
153.06998	3.9
153.08968	3.4
155.01036	57.2
155.08589	15.6
155.10582	4.2
156.09369	9.9
157.10114	46.2
158.10992	3.3
159.11705	29.0
161.09621	15.4
161.13239	13.2
163.11177	11.2
165.09117	27.4
167.08592	7.1
167.10704	17.7
168.09406	5.0
169.10182	17.9
169.12160	5.7
171.11662	22.9
173.11737	10.5
173.13257	21.6
175.11153	7.8
175.14848	5.3
179.08598	8.1
180.09366	5.1
181.10133	11.1
182.10828	4.6
183.11673	14.5
184.12361	3.4
185.09404	3.3
185.13219	15.9
187.11223	5.4
187.14758	6.8
189.12750	4.2
191.14212	5.7
193.10153	9.3
194.10948	7.2
195.11667	10.8
196.12610	4.1
197.13280	16.7
199.14859	9.0
201.12720	4.6
203.14288	10.9
206.10915	5.8
207.11746	12.4
207.13724	6.6
209.13249	18.4
209.15228	6.5
211.14757	6.1
213.16322	5.5
217.15852	4.7
219.11632	3.8
220.12274	4.7
221.13246	9.0
221.15350	35.0
222.13951	6.2
223.14758	7.7
227.17992	5.5
229.19504	6.5
233.13287	4.8
233.15466	4.2
235.14842	7.0
237.16373	6.3
239.17949	5.6
245.18935	9.1
247.14700	5.4
253.19485	4.2
255.17389	10.6
257.19095	16.3
259.14728	6.8
263.17825	5.5
267.26672	4.0
273.18558	46.7
275.17841	5.3
275.20145	51.8
277.19678	3.6
283.20520	4.7
291.19513	60.1
328.91425	3.3
341.30496	40.2
375.26788	3.9
403.30002	6.0
491.34552	3.7
547.38177	5.4
565.40161	19.1
583.41278	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.05507	18.6
57.07058	14.3
59.05000	3.5
59.60117	3.6
65.03918	3.7
67.05505	29.9
69.03410	9.3
69.07076	21.5
69.32309	37.4
79.05492	29.9
81.07059	42.1
83.04964	10.4
83.08595	13.8
84.94824	3.7
91.05478	56.2
93.07040	65.4
95.04983	18.5
95.08606	36.4
97.06539	8.3
101.60876	3.0
103.05463	3.9
105.07029	85.7
107.08593	55.7
109.06504	11.8
109.10149	24.8
111.08097	3.9
115.05452	4.1
117.07020	21.4
119.08577	93.2
121.06499	7.4
121.10136	65.8
121.10979	2.5
123.08091	25.8
123.11684	8.2
123.49596	3.3
128.06210	12.0
129.07019	21.2
130.07751	7.2
131.08563	46.5
133.10124	49.8
135.08037	12.5
135.11674	18.0
137.09592	11.5
139.11150	7.1
141.07007	9.0
142.07797	23.9
143.08543	47.9
144.09337	5.1
145.10117	65.7
147.08040	12.1
147.11681	20.9
149.09596	10.6
151.07542	14.8
153.07054	4.4
154.07834	6.0
155.08565	23.6
156.09323	20.6
157.10117	60.3
158.10913	9.1
159.08060	8.2
159.11685	34.6
161.09515	5.7
161.13234	8.3
163.11189	10.8
165.06982	10.2
165.09085	20.4
167.08546	14.0
167.10669	44.5
168.09380	4.3
169.10124	31.0
170.10887	12.2
171.11688	30.6
172.12410	4.3
173.13229	30.7
175.11137	6.5
175.14760	9.5
179.08575	14.4
179.10713	3.9
180.09428	7.3
181.10121	18.1
181.12210	6.8
182.10893	9.9
183.10118	5.5
183.11664	33.7
184.12462	4.5
185.13219	17.2
187.14799	9.4
189.12720	11.6
191.14275	8.1
192.09285	4.4
193.10059	18.1
194.10904	12.8
195.11667	24.0
196.12480	6.3
197.11729	3.5
197.13231	21.1
199.11101	4.2
199.14772	14.3
201.16365	7.4
203.14339	14.4
205.10133	5.2
205.49725	3.5
206.10869	13.4
207.11661	22.6
207.13780	10.6
208.12460	9.0
209.13271	27.7
210.13992	4.4
211.14824	16.4
213.12788	4.2
213.16235	5.6
215.14230	6.8
217.10127	3.7
217.15944	9.2
218.10945	5.5
219.11697	11.6
220.12392	6.5
221.13226	22.1
221.15358	36.1
222.13995	6.1
223.14772	16.1
225.16397	7.0
229.15979	3.3
231.11748	5.0
232.12343	3.8
233.13243	6.9
233.15323	12.2
234.13911	6.0
235.14767	12.2
237.16444	9.7
239.18079	5.7
244.12363	4.4
245.13319	7.1
246.14055	6.5
247.14847	10.6
249.16331	9.1
251.17934	10.4
257.13107	5.8
257.19049	11.0
259.14880	6.7
260.15454	4.9
261.16330	9.8
263.17981	12.8
265.19702	8.0
269.18936	6.8
271.20670	3.9
273.16272	7.8
275.17932	8.8
277.19446	6.1
283.20520	14.0
293.18921	4.7
295.20499	4.3
303.20908	3.6
315.20978	5.3
328.17908	3.2
331.24130	4.9
375.26810	5.5
403.29742	9.2
452.66281	3.7
457.33945	4.0
503.34622	3.6
509.20074	3.6
547.38831	5.7
565.40375	23.6
583.32526	5.8
583.41412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77345	9.8
53.03939	15.8
55.05510	20.0
57.07085	12.0
60.37605	10.2
60.88507	8.9
67.05497	45.6
69.07067	30.2
69.45069	96.2
71.04993	9.3
77.22385	10.6
79.05495	36.6
81.07071	61.4
83.08603	12.4
86.14960	9.6
88.46145	8.9
89.01311	9.7
91.05470	63.0
93.07051	68.2
95.04980	19.6
95.08599	50.8
95.56670	8.6
97.72606	9.4
98.20782	20.3
105.07017	75.1
106.40591	9.9
107.08604	68.1
109.06527	17.8
109.10158	26.3
117.07012	28.4
119.08571	100.0
121.00811	10.6
121.10132	57.0
123.08076	13.6
123.11723	10.8
128.06189	9.1
129.07013	19.1
130.07721	13.9
131.08568	27.6
133.10136	47.0
135.08081	19.8
135.11673	12.9
137.09624	18.4
141.06963	10.5
142.07779	27.2
143.08565	52.5
144.09395	11.7
145.10110	60.6
147.08066	12.6
147.11613	14.3
155.08546	17.3
156.09360	18.5
157.10159	50.7
159.11729	25.0
163.11113	14.5
165.09091	19.8
167.10658	23.5
169.10114	29.6
171.11723	36.8
173.13235	25.0
175.14862	14.6
181.10139	22.5
183.11765	19.6
185.13281	17.5
187.14847	13.1
194.10974	10.6
195.11703	20.7
197.13315	22.5
199.14822	24.6
207.11775	22.0
208.12534	10.4
209.13272	28.0
211.14726	16.2
217.15974	12.0
221.13382	15.1
221.15401	35.3
223.14886	19.2
236.67848	10.0
249.16373	11.7
253.95076	11.3
270.63748	10.7
273.18738	11.5
275.20337	13.5
283.20410	10.6
322.16684	12.3
368.92206	11.9
547.38837	12.7
552.73914	12.2
565.40131	17.2
583.41260	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01863	14.9
55.05510	40.1
57.03428	10.2
65.03934	4.2
67.05501	62.0
69.03430	5.2
69.07066	58.4
69.57644	13.4
69.58049	4.8
71.04997	6.1
73.06554	2.2
75.92471	2.4
79.05490	59.2
79.81113	2.2
81.03413	12.3
81.07053	52.5
83.04967	14.7
83.08608	17.4
85.02923	3.5
85.06560	5.7
91.05476	83.2
93.07039	65.5
95.04956	21.6
95.08602	51.5
97.06535	19.2
97.10177	18.7
98.21490	2.6
99.04474	7.4
99.08096	2.8
103.05484	4.2
105.07025	72.6
107.04955	42.3
107.08598	39.7
109.06518	10.3
109.10161	20.9
111.04456	7.7
111.08102	7.1
115.05427	6.7
116.06232	6.8
117.07018	60.3
119.08572	43.9
119.09366	3.8
121.06508	7.2
121.10128	26.4
123.08070	6.4
123.11732	3.9
124.26507	2.3
125.09607	11.1
128.06238	7.1
129.07008	32.3
130.07773	5.3
131.08572	71.5
133.06532	4.9
133.10114	35.0
135.08076	11.0
135.11697	12.5
137.09634	9.5
139.11197	7.9
141.06952	12.0
142.07774	8.0
143.08556	36.0
144.09306	4.1
145.06485	4.8
145.10112	100.0
147.08049	8.9
147.11691	31.3
149.09613	27.4
149.13272	4.7
153.09105	7.5
154.07762	3.2
155.08536	16.9
157.10118	31.4
159.08061	6.6
159.11682	63.6
161.09627	12.0
161.13258	8.0
163.11203	5.9
165.07022	3.2
165.09113	3.6
167.08597	8.8
168.09322	4.4
169.10106	22.9
170.10872	2.9
171.08101	2.3
171.11687	25.2
173.09662	3.3
173.11810	4.6
173.13274	17.5
175.11212	7.9
177.12772	5.5
179.08545	3.5
180.09320	2.8
181.10077	11.1
182.10858	4.6
183.08086	2.7
183.11665	20.3
184.12424	3.2
185.09592	6.2
185.13196	13.3
187.11218	4.6
187.14839	6.7
193.10150	6.2
193.12184	3.9
195.11723	8.9
195.13815	11.4
197.13272	16.9
199.11125	4.3
199.14835	8.5
201.12762	2.9
201.16443	2.7
203.10710	3.1
203.12631	3.2
207.11685	4.5
209.13243	6.7
211.14835	7.8
213.12799	2.5
213.16551	3.1
215.17940	3.2
219.13809	2.4
219.17442	3.1
223.14944	4.1
227.17958	4.0
228.00366	2.3
229.19551	9.1
235.15004	3.6
237.16422	4.7
239.17900	18.8
245.19025	3.0
249.16612	3.7
251.17867	2.7
253.19733	2.5
255.17519	4.5
257.19006	71.4
263.20105	2.9
273.18524	23.9
275.20102	19.8
287.20352	2.7
289.07965	2.2
291.19531	69.9
367.26474	4.2
379.26315	4.4
381.27777	5.7
397.27213	4.8
475.31897	2.7
485.32217	2.9
493.33231	7.0
511.34283	7.4
519.38318	3.4
529.36511	9.3
547.37701	12.5
565.38635	22.0
583.31055	3.7
583.39874	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01870	19.8
55.05507	47.8
57.03433	6.8
57.07071	4.5
60.20078	3.0
65.03942	6.1
67.05499	77.2
69.03438	8.6
69.07063	57.4
69.93073	10.7
69.93478	5.9
71.04996	5.1
79.05490	80.1
81.03422	11.7
81.07055	65.8
83.04984	18.7
83.08597	17.2
85.06549	6.5
91.05476	76.9
93.07043	77.9
95.04961	25.9
95.08613	53.1
97.06532	21.6
97.10181	20.7
98.21482	7.0
99.08087	4.6
101.90266	3.2
103.56402	3.2
105.07030	82.7
105.07692	6.9
107.04960	69.9
107.08592	48.7
109.06517	12.7
109.10163	30.3
111.04448	5.5
111.08113	5.0
115.05449	7.7
116.06254	4.3
117.07014	44.6
119.08569	68.3
121.06499	11.9
121.10152	33.3
123.08083	13.3
123.11682	6.3
125.09633	13.0
128.06224	9.8
129.07022	31.5
130.07762	5.9
131.08568	71.1
133.06508	9.4
133.10118	46.7
135.08023	36.6
135.11713	15.5
137.09604	17.8
139.11163	9.9
141.06990	10.4
142.07784	6.8
143.08546	32.9
145.10117	100.0
147.08047	16.9
147.11682	25.6
149.09602	34.7
149.13283	6.3
151.07512	4.8
151.11240	5.9
153.06956	4.1
153.09129	6.4
155.08553	18.1
156.09373	5.4
157.10135	29.2
159.08086	7.2
159.11702	48.2
161.09673	12.1
161.13234	8.0
163.11189	16.8
165.09129	8.4
167.08560	5.8
167.10699	8.0
168.09322	4.2
169.10147	23.8
171.08083	3.5
171.11664	27.9
173.09641	6.1
173.11847	5.5
173.13281	13.9
175.11089	7.7
175.14780	3.4
177.12842	5.4
181.10197	7.4
181.12224	3.9
182.11067	4.0
183.11693	24.4
185.13269	13.3
187.11198	7.9
187.14862	7.1
189.11249	9.1
189.12817	3.7
193.12224	4.4
195.11705	14.7
195.13736	7.8
197.13264	15.7
199.11264	3.9
199.14876	7.4
201.12785	5.2
201.16463	3.3
203.12758	6.0
207.11736	8.3
209.13231	9.1
211.14815	9.8
213.16418	10.0
219.11842	4.7
221.13295	5.2
221.15381	9.3
223.14943	3.8
227.17766	4.6
229.19554	11.0
233.15482	4.0
235.14922	4.5
237.16431	5.5
239.17921	16.2
245.19061	8.1
255.17476	13.0
257.19022	54.4
259.20654	3.9
263.20117	5.7
273.18509	48.6
275.17313	4.5
275.20117	59.4
285.18552	4.1
291.19522	73.7
349.25131	3.8
367.26343	4.5
379.26248	6.4
393.75812	3.5
397.27307	7.4
435.28906	3.9
491.35025	10.5
501.37039	3.5
529.36554	9.8
547.37653	13.7
565.38684	23.9
583.40222	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20130	3.4
53.03934	8.5
55.01872	12.5
55.05508	48.0
56.01727	3.6
57.03436	5.5
65.03942	7.1
67.05502	72.9
69.07065	53.9
71.04991	6.4
71.58273	4.2
71.58662	5.3
79.05494	57.3
79.65388	3.3
81.03429	7.6
81.07047	71.6
83.04977	21.4
83.08618	14.2
84.27519	3.4
85.06561	5.8
91.05479	66.0
93.07043	60.2
95.04951	21.2
95.08597	43.7
97.06525	17.7
97.10168	25.4
105.07034	62.3
107.04962	38.5
107.08591	48.3
109.06504	10.4
109.09499	3.9
109.10141	23.2
111.04443	14.8
111.08076	7.0
115.05447	9.6
116.06252	5.9
117.07008	37.6
117.28197	3.8
119.08576	44.0
121.06510	7.0
121.10140	25.3
123.08068	12.4
123.11717	5.3
125.09628	14.8
128.06206	12.0
129.07010	23.8
130.07756	8.2
131.08560	67.0
133.06534	5.7
133.10150	37.0
135.08075	18.1
135.11711	9.8
137.09599	10.5
139.11205	8.6
141.07011	9.8
142.07773	5.6
143.08562	32.6
144.09399	3.5
145.10115	100.0
145.11293	4.9
147.07985	7.0
147.11714	24.2
149.09622	25.7
153.09048	5.5
153.12524	3.4
155.08582	17.8
157.10133	30.1
159.08128	5.8
159.11676	33.1
161.09616	13.5
161.13231	10.7
163.11203	14.4
169.10144	17.8
171.11642	23.0
173.09648	6.2
173.13278	15.6
175.11240	6.8
175.14827	4.4
179.08554	4.2
181.10179	8.9
183.11725	15.3
185.09593	3.9
185.13329	11.5
187.11232	5.2
187.14865	4.2
189.11217	8.5
189.12793	4.8
195.11726	12.0
195.13776	10.8
197.13219	20.2
199.14886	7.4
203.12651	4.8
209.13373	8.0
211.14845	8.8
213.16385	9.1
221.13396	4.0
227.17972	7.0
229.19498	6.4
237.16408	5.8
239.17902	18.2
255.17374	5.9
257.19012	73.6
273.18521	30.8
275.20023	23.4
291.19492	69.0
379.26349	7.6
395.29654	4.1
397.27567	8.1
443.48480	4.0
448.29602	3.9
511.35165	3.9
529.36871	6.2
547.37695	14.1
565.38983	24.2
583.40100	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01862	13.6
55.05510	54.1
57.03448	5.1
59.05014	4.1
62.75945	3.7
66.57459	3.5
67.05500	53.6
69.03429	6.3
69.07074	54.7
69.87045	21.9
71.04990	10.3
79.05486	53.3
81.03404	11.4
81.07048	53.9
81.60754	3.7
83.04968	11.7
83.08625	23.6
85.06565	3.4
91.05473	67.0
93.07046	60.1
94.59887	3.5
95.04958	17.0
95.08600	43.1
97.06513	15.9
97.10168	22.9
99.04464	6.8
103.05460	3.7
105.07024	66.9
107.04948	42.4
107.08586	49.2
109.06526	7.0
109.10161	23.5
111.04429	6.9
115.05457	8.2
117.07036	37.4
119.08563	51.5
121.06462	7.6
121.10134	24.1
123.08095	10.4
123.11722	3.5
125.09641	17.5
128.06198	11.0
129.06999	27.5
130.07774	6.3
131.08560	63.8
133.06470	6.9
133.10146	42.9
135.08049	16.3
135.11673	11.1
137.09595	8.3
139.11168	7.7
141.06989	10.8
141.74060	4.2
142.07745	4.6
143.08565	32.7
145.10121	100.0
147.08022	8.9
147.11664	25.5
149.09616	22.6
153.09125	7.6
155.08578	19.7
156.09364	5.7
157.10135	28.8
159.11719	38.3
161.09613	9.4
161.13306	7.5
163.11168	9.1
165.02727	3.6
165.09143	4.7
167.10751	4.0
168.09323	4.3
169.10089	25.1
171.07857	3.8
171.11653	27.8
173.09660	9.5
173.13292	13.6
175.11157	4.9
175.14915	4.8
177.12660	6.5
181.10095	10.9
183.11687	25.8
185.13269	11.5
187.11195	6.4
187.14864	8.4
189.11150	6.4
195.11714	10.6
195.13834	10.0
197.13261	20.2
199.11124	7.0
199.14806	13.9
204.71764	3.6
207.11649	4.4
209.13382	8.7
211.14810	7.3
213.12465	3.5
213.16328	9.1
221.13303	4.3
221.15349	6.0
225.12837	4.8
229.19525	6.3
239.17964	16.0
255.17502	8.2
257.19019	56.1
261.73068	3.8
262.48694	3.8
273.18558	24.3
275.20117	25.1
282.37891	3.8
291.19510	60.4
309.20627	4.9
323.93018	3.9
379.26483	7.6
381.27972	9.4
397.27142	10.9
491.35141	12.0
529.36572	6.1
547.37872	19.2
565.39026	25.8
583.40118	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01862	17.0
55.05508	48.4
57.03425	9.3
57.07069	6.3
59.04964	4.2
60.48088	3.6
65.03947	7.5
65.41313	3.6
67.05178	5.2
67.05505	83.2
68.91631	4.3
69.03430	15.7
69.06733	6.6
69.07072	83.5
71.04975	10.8
71.50613	9.3
78.36588	3.5
79.05495	94.6
81.03410	10.5
81.07053	86.5
83.04967	18.8
83.08606	8.0
85.06528	6.4
89.06020	4.8
89.60786	3.7
91.05479	87.1
93.07040	100.0
95.04974	44.9
95.08606	65.5
97.06537	26.9
97.10168	20.0
105.06391	8.1
105.07032	93.1
107.04959	59.1
107.08595	47.8
107.79999	4.0
109.06522	20.6
109.10161	18.9
111.08056	5.6
111.11716	7.3
115.05443	5.9
117.07018	29.7
119.08591	67.2
121.06477	10.9
121.10150	62.5
123.08045	11.5
123.11674	5.7
123.56489	4.2
128.06274	7.0
129.06995	25.2
131.04926	5.9
131.08554	39.1
133.06488	18.7
133.10136	43.6
135.08038	36.6
135.11650	11.6
137.09587	12.6
139.11171	36.2
142.07785	8.2
143.08533	23.0
144.09349	5.2
145.06456	8.9
145.10114	33.9
147.08040	30.8
147.11687	16.1
149.09642	24.6
149.13264	5.1
151.07437	7.1
153.06943	4.7
155.08546	12.2
157.10091	28.7
159.08121	7.5
159.11684	16.6
161.09592	14.1
161.13219	9.7
163.11163	8.6
165.09103	4.7
167.10654	10.9
169.10109	11.7
169.93018	3.8
171.11687	17.4
173.09628	7.1
173.13286	11.6
175.11206	12.4
175.14835	6.3
177.12801	4.5
179.08418	4.4
181.10010	3.9
183.11667	13.0
183.13786	6.3
185.09583	6.1
185.13245	9.5
187.11147	4.4
187.14842	6.8
191.14296	7.2
195.11703	11.4
197.13258	8.3
199.14807	7.2
201.12772	6.3
201.16373	5.2
203.12746	20.9
203.14456	5.8
204.62756	4.5
207.13771	5.1
209.13286	5.9
211.14738	6.0
213.16347	4.5
215.14377	5.0
219.17447	5.1
221.13307	4.2
221.15323	7.8
237.14841	12.6
245.18901	4.6
257.19022	16.2
273.18488	32.0
275.20071	95.8
276.20294	5.9
283.20660	7.9
289.17932	12.3
290.18893	28.7
291.19553	19.2
293.21255	23.9
365.24005	4.9
381.28119	10.7
491.35001	7.3
547.37701	11.8
565.38898	14.7
583.40619	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.2
55.01860	11.1
55.05510	58.1
57.03419	13.8
57.07071	11.9
59.04978	6.2
65.03939	8.6
66.53960	4.5
67.05499	77.9
69.03430	11.5
69.07073	70.8
69.60530	17.7
69.60954	18.0
71.05003	5.2
71.08609	4.8
79.05492	88.4
81.03413	12.3
81.07057	96.0
83.04975	18.8
83.08614	18.7
91.05481	100.0
93.07043	94.2
95.04963	51.2
95.08607	59.7
97.06509	17.8
97.10178	31.9
97.91457	4.9
98.21568	8.5
98.98467	14.2
105.07033	86.0
107.04953	50.3
107.08598	55.2
109.06512	16.5
109.10151	22.5
111.08076	8.9
115.05441	8.0
117.06992	38.3
119.07715	5.4
119.08569	88.3
121.06498	11.9
121.10150	55.3
123.08043	9.1
123.11738	5.4
125.09621	19.1
129.06993	19.2
130.07689	4.6
131.08556	54.0
133.06435	12.7
133.10143	50.3
135.08061	27.9
135.11697	13.2
137.09598	10.1
139.11180	30.0
141.07051	5.5
142.07780	12.2
143.08577	31.5
145.06496	8.4
145.10130	59.2
147.08069	36.7
147.11700	16.6
149.09604	18.2
151.07478	11.2
155.01039	22.0
155.08505	8.6
156.09386	7.1
157.10107	34.4
159.08093	5.2
159.11667	26.0
161.09637	25.2
161.13287	6.6
163.11134	8.1
165.09178	6.0
167.10692	19.1
169.10136	17.9
171.11674	17.3
173.09615	7.2
173.13254	12.6
175.11179	11.4
179.08510	8.5
181.10115	6.9
183.11659	15.9
185.09659	5.2
185.13231	14.3
187.14723	6.1
189.11223	11.9
193.10071	9.4
195.11656	11.9
197.13239	11.9
203.12770	9.5
207.13678	5.8
209.13170	8.0
211.14745	11.4
217.15804	7.4
219.13832	7.3
221.13290	7.3
221.15297	13.8
227.17839	6.5
233.15385	6.3
237.14647	8.4
239.17970	6.0
251.17992	5.0
255.17500	5.6
257.18991	18.2
261.14618	6.3
273.18457	70.7
275.17358	8.1
275.20105	85.5
284.15558	5.5
290.18713	25.2
291.19611	29.8
293.21112	29.4
341.30450	13.7
491.34888	8.4
547.38092	7.2
565.39819	18.8
583.41046	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05350	3.2
51.93084	2.9
53.03928	11.6
55.01862	15.6
55.05511	56.9
55.09805	3.4
57.03424	15.9
57.07058	15.6
57.84585	2.9
65.03925	4.7
67.05506	72.1
69.03423	9.3
69.07071	58.7
70.15743	14.0
71.04976	9.6
71.08636	7.1
77.03928	4.5
79.05067	6.8
79.05493	92.5
81.03406	11.9
81.07057	86.4
83.04985	20.3
83.08632	17.3
85.06530	8.3
86.98515	3.2
91.05484	100.0
93.06473	6.6
93.07039	93.6
95.04961	29.2
95.08611	63.2
97.06517	17.3
97.10168	25.3
98.98470	24.4
99.08080	4.1
103.05463	5.9
105.07030	81.8
107.04964	61.9
107.08588	53.0
109.06522	26.9
109.10161	26.3
111.11736	4.5
115.05424	7.4
117.07005	45.2
119.04931	3.5
119.08587	82.2
121.06493	12.4
121.10146	56.9
123.08065	11.0
123.11732	7.0
125.09621	13.8
128.06223	8.3
129.07037	21.4
131.08566	52.2
133.06430	9.1
133.10121	49.1
135.08072	45.9
135.11682	12.5
137.09601	13.5
139.11189	16.5
141.06976	6.0
142.07751	7.3
143.08575	28.3
145.06538	7.2
145.10146	41.8
147.08040	29.3
147.11682	16.5
149.09627	21.7
154.07843	3.9
155.01051	32.5
155.08565	13.8
156.09294	5.2
157.10139	28.8
158.10936	3.3
159.08055	9.8
159.11670	26.1
161.09602	12.3
161.13231	9.1
163.11183	7.7
165.09091	5.0
167.08514	4.8
167.10654	11.0
169.10107	14.6
171.11647	15.0
173.09631	4.9
173.11830	3.7
173.13243	12.7
175.11156	5.8
175.14754	4.3
179.08470	4.7
181.10144	9.4
182.10939	3.6
183.11661	15.0
185.09596	7.1
185.13293	9.0
187.14806	6.8
189.11200	9.7
189.12746	5.8
194.10870	5.6
195.11734	7.2
197.09770	3.9
197.13173	11.1
199.11244	3.7
199.14902	5.7
201.12843	4.2
203.12733	13.6
207.13837	5.9
209.13242	7.6
211.14853	4.9
213.16383	3.8
215.14359	4.8
217.15897	9.6
221.13254	7.4
221.15364	9.0
223.14819	6.0
237.14709	4.7
239.18024	4.0
241.19458	5.1
255.17432	5.5
257.19052	13.9
273.15875	5.3
273.18524	68.8
275.17355	5.7
275.20108	81.3
290.18826	13.1
291.19534	29.1
293.21188	27.8
341.30502	16.2
350.59299	3.7
547.37775	6.3
565.39417	10.7
583.41022	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52503	2.7
53.03944	7.0
55.01878	6.0
55.05511	29.1
57.03433	5.4
57.07070	8.7
61.02918	6.7
67.05495	64.9
69.03430	21.0
69.07065	30.0
70.70646	4.2
70.70992	5.5
71.04982	7.6
71.08625	4.7
73.02913	7.0
74.25615	3.3
79.05493	30.9
81.03410	11.8
81.07052	91.4
83.04967	7.5
83.08613	26.7
85.02896	30.3
85.06537	4.3
87.00823	13.7
87.04465	6.7
91.05480	28.8
93.07037	32.1
95.04952	6.5
95.08600	85.8
97.02877	12.7
97.06519	10.2
97.10162	23.2
98.87324	3.1
99.04447	6.2
100.56689	2.9
101.06038	4.2
105.01854	9.4
105.07019	19.8
105.81847	3.1
107.08595	25.4
109.02866	9.2
109.10144	38.4
111.08044	5.0
111.11678	7.4
113.05961	4.6
117.05497	4.4
119.08602	18.0
121.10132	43.4
123.11684	18.8
125.09689	3.8
127.03884	18.7
131.07024	14.7
131.08588	4.5
133.10139	22.9
135.08078	6.3
135.11661	25.0
137.05975	4.6
137.09598	5.9
137.13232	10.5
147.11694	12.5
149.13260	12.2
151.03920	3.1
151.11133	6.6
151.14795	3.5
161.13261	11.1
163.03911	11.0
163.07550	5.4
163.14856	8.5
167.06990	5.8
175.14845	6.6
182.48154	3.1
185.45065	2.9
186.20187	3.1
189.16377	4.5
219.21069	11.2
237.22141	32.1
245.22623	27.5
263.23660	32.2
274.62695	3.1
281.24725	20.1
299.25766	100.0
317.26740	3.9
319.08002	4.0
335.27725	3.7
466.27209	3.2
583.25708	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65714	2.5
52.66384	2.9
53.03946	5.5
55.01870	3.4
55.05509	18.6
57.03433	12.6
57.07072	7.2
62.33272	3.2
65.03921	3.9
67.05508	47.0
68.76703	3.2
69.03429	12.5
69.06731	3.4
69.07071	46.0
69.50656	21.1
69.51061	5.5
71.04987	18.9
73.06557	3.3
79.05482	26.1
81.03407	12.0
81.07057	78.9
83.04963	3.9
83.08624	14.0
85.02906	26.9
85.06535	13.4
86.05249	2.8
87.00821	10.7
91.05470	14.5
93.07044	44.3
95.08603	76.2
97.02896	14.0
97.06526	19.9
97.10152	9.4
99.04456	3.7
99.08092	8.3
101.06029	3.3
105.01869	7.9
105.07020	19.9
105.70733	3.1
107.05016	3.5
107.08610	36.5
109.02872	9.0
109.10168	45.4
111.08072	5.9
111.11752	5.7
111.52777	3.0
115.07564	31.1
115.13180	3.4
119.08588	12.6
121.10133	36.1
123.11703	15.1
125.09682	3.8
127.03900	14.6
133.10083	16.0
135.11693	36.0
137.06006	3.2
137.13251	4.5
145.04939	3.9
147.11678	11.8
149.13254	31.1
161.13245	8.3
163.14824	19.1
165.12749	3.1
167.07173	4.8
175.14828	7.7
176.01242	2.9
177.16432	5.2
189.16412	8.4
191.17926	3.3
205.19542	5.3
209.15242	3.9
219.21056	4.1
223.20497	3.1
245.22612	51.2
263.23724	24.0
268.87970	3.3
281.24722	100.0
299.25766	53.9
312.38474	3.3
317.26874	26.9
335.27994	5.9
351.89224	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66099	1.5
53.03939	3.8
55.01867	2.8
55.05513	12.2
56.05022	6.3
57.03431	4.3
57.07080	2.3
58.06596	1.4
60.04524	30.3
61.02929	2.1
67.05502	27.6
68.05012	2.2
68.99779	2.0
69.03426	17.3
69.07066	14.1
69.86702	1.4
70.06582	7.1
70.93047	4.2
71.04992	3.6
72.04525	2.5
73.02920	4.1
79.05492	14.9
81.03411	19.4
81.07053	30.7
82.06553	2.1
83.04996	1.8
83.08602	9.4
85.02901	33.3
85.06522	2.0
86.06070	4.0
86.09698	2.5
87.00819	7.9
90.05553	3.9
91.05460	10.1
93.07032	13.9
94.06598	1.4
95.04978	3.3
95.08603	33.1
96.08145	3.2
97.02901	9.3
97.06539	2.8
97.10172	5.8
99.04455	6.5
105.01854	7.3
105.07045	7.7
107.08593	8.2
109.02876	14.3
109.10143	13.6
111.08060	1.7
111.11768	1.9
114.12825	4.8
115.13148	2.2
117.01825	1.7
119.08594	4.0
120.08107	1.6
121.10139	13.9
123.04424	1.5
123.11718	4.7
127.03896	20.3
129.01860	1.8
130.08699	1.6
133.08885	10.9
133.10110	4.7
134.09216	3.3
135.11682	7.1
137.13216	3.2
145.04976	3.9
147.11632	1.8
148.11203	100.0
149.11560	45.4
149.13232	2.7
159.02922	4.5
161.13268	1.4
163.14807	2.4
167.07077	2.4
219.21008	1.7
231.05075	1.7
233.22719	2.5
237.22127	1.7
250.25372	2.8
251.23927	1.7
262.25226	10.5
280.26318	19.0
298.27408	45.6
316.28442	70.1
322.27515	2.2
334.13846	1.6
334.29504	56.0
336.56021	1.5
340.28534	4.1
355.15445	1.8
358.29608	4.4
376.30542	6.5
496.35168	1.3
502.34100	2.4
510.30582	2.8
520.34851	4.3
528.31781	4.9
538.19824	2.9
538.36108	3.8
546.33118	4.5
564.33704	20.9
582.18988	5.1
582.34851	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05511	26.3
56.26421	2.2
57.03429	1.9
57.07085	3.0
65.03943	3.1
66.84549	1.6
67.05502	36.6
67.05836	3.1
67.42276	1.6
69.07064	19.7
69.81789	11.3
71.04929	1.5
73.06548	2.0
75.26564	1.8
79.05491	27.5
81.07055	52.0
81.07526	2.9
83.04990	2.6
83.08614	12.1
85.06519	1.7
91.05476	24.4
93.07043	31.9
94.07368	1.9
95.04993	4.9
95.08603	48.0
97.06524	4.0
97.10193	7.2
98.21429	1.7
98.22928	1.5
105.07030	36.6
107.08585	20.1
109.06517	3.1
109.10145	17.7
109.10728	1.6
111.08088	2.2
111.11758	2.2
115.05502	3.9
117.07026	18.9
119.08573	32.1
121.10139	19.9
123.08090	2.5
123.11722	5.9
125.09649	4.6
128.06250	6.2
129.06998	20.2
131.08572	31.0
133.10120	24.9
135.11659	12.2
135.51688	1.7
137.09612	2.7
139.11235	2.6
141.07037	8.1
141.09164	1.8
142.07855	5.8
143.08557	27.3
145.10132	30.6
145.11143	2.8
147.11682	14.2
149.09657	3.8
149.13307	6.6
153.07077	2.3
154.07831	2.1
155.08549	14.3
156.09396	5.0
157.10114	29.9
159.11710	23.1
161.13289	6.8
165.07077	2.9
167.08572	4.4
167.10716	1.6
169.10109	17.1
170.10901	1.9
171.11656	23.6
173.09798	1.8
173.13261	16.4
175.14857	3.2
181.10092	8.8
183.11697	19.4
185.13275	18.3
187.14940	7.3
189.16441	2.0
191.14429	1.9
193.10190	2.3
195.11751	7.6
197.13222	13.2
199.14896	12.3
201.16420	4.2
205.10030	2.2
207.11804	5.0
207.13768	1.7
209.13322	7.1
211.14815	9.7
213.16460	7.5
215.18062	2.6
221.13400	3.9
221.15344	3.1
223.14902	4.8
225.16473	7.0
226.16907	2.4
227.18022	7.2
233.13222	1.8
235.14931	2.5
237.16512	2.6
239.18007	4.4
241.19586	3.8
248.15660	2.0
249.16454	2.5
253.19562	4.0
283.21051	1.9
285.22232	1.9
289.21890	2.3
291.23294	2.5
295.20602	2.2
297.22040	3.7
310.65399	1.8
315.23465	2.6
317.24905	2.6
329.45230	2.2
331.26266	1.8
337.25314	2.2
341.24771	2.3
351.26761	3.4
355.26526	3.2
365.28787	1.9
369.27829	4.7
371.29813	3.3
379.30411	2.4
381.27975	2.0
383.29828	5.3
397.31299	4.8
411.32764	2.8
447.33246	3.3
473.36496	2.4
499.38528	3.1
517.40411	11.1
531.42261	2.0
549.43042	19.3
563.39111	2.2
581.45941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.05501	12.5
57.03428	2.9
57.07066	9.8
59.05008	3.5
67.05502	25.3
69.03423	12.1
69.07069	25.6
69.27520	6.2
69.27936	28.5
79.05482	27.4
81.07053	33.4
83.04964	7.6
83.08607	8.7
84.66042	2.4
85.06548	6.9
85.22752	2.4
91.05469	38.6
93.07039	44.8
95.04968	22.2
95.08605	35.3
97.06535	11.7
103.05451	2.9
105.07030	63.6
107.04967	4.9
107.08604	32.8
109.06521	12.4
109.10157	17.2
111.08083	5.8
115.05466	5.7
117.07001	15.9
119.08575	52.7
119.09368	4.5
121.06488	6.5
121.10143	56.5
123.08057	24.9
123.11725	3.8
125.09642	5.9
128.06227	9.3
129.06985	14.8
130.07776	4.7
131.08551	26.4
133.06482	4.8
133.09149	3.7
133.10129	64.7
135.08051	12.1
135.11691	17.0
136.94933	2.5
137.09625	11.8
141.07004	7.9
142.07796	13.4
143.08566	25.7
144.09352	5.2
145.10109	41.9
147.08029	21.6
147.11703	17.5
149.09624	25.2
151.07536	19.7
153.07002	3.0
153.09132	2.8
155.01036	3.7
155.08556	10.3
156.09373	13.4
157.10130	41.8
158.10820	6.6
159.08064	10.2
159.11685	25.7
161.09636	10.8
161.13231	5.8
163.11183	8.7
165.07005	5.4
165.09114	30.9
167.08578	8.5
167.10680	42.9
168.09317	8.5
169.10121	26.4
170.10892	4.6
171.11687	19.0
173.09645	7.0
173.13205	20.4
175.11166	6.9
175.14796	8.5
177.12770	3.2
179.08534	7.3
180.09378	4.9
181.10156	15.1
181.12173	4.0
182.10957	6.6
183.11684	15.4
184.12473	4.3
185.09570	6.3
185.13284	12.4
187.11256	5.4
187.14857	11.3
189.12755	8.8
191.14336	8.0
192.09372	3.9
193.10085	14.2
194.10918	9.6
194.25841	2.8
195.11658	15.8
196.12564	6.9
197.13216	14.9
199.11226	4.4
199.14862	11.4
201.12849	5.1
201.16325	3.4
203.14320	6.5
205.10153	5.8
206.10979	8.0
207.11739	14.8
207.13754	7.6
208.12543	4.5
209.09610	3.8
209.13229	16.8
211.11237	3.8
211.14868	11.5
213.16470	5.1
215.14268	3.4
218.11095	3.8
219.11804	6.3
220.12570	4.8
221.13246	15.7
221.15407	53.7
223.14851	5.3
223.70061	3.2
225.12854	6.7
225.16403	4.5
227.14275	3.1
231.11722	7.3
232.12480	4.8
233.13245	10.1
233.15405	19.1
234.13994	3.4
235.14842	7.8
237.16444	5.0
239.17934	6.7
241.15816	4.0
241.19626	3.6
243.11684	3.9
245.13174	3.4
247.14725	5.9
249.16457	3.3
251.17981	3.7
257.13232	6.3
258.14139	3.6
259.14743	5.0
260.15707	4.2
261.16370	4.5
263.18057	3.7
269.18951	4.3
271.14764	3.5
273.16336	5.8
275.17926	5.9
277.19489	4.9
285.16495	4.1
289.19696	3.6
291.17517	3.6
311.20322	3.9
312.20868	11.2
317.18948	3.7
317.22647	2.8
373.25208	6.7
385.72525	3.1
393.58661	2.7
407.29779	3.2
545.37195	3.2
563.38867	20.1
581.39807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34112	1.8
55.05498	2.9
55.46428	1.5
56.96292	2.5
56.96565	29.1
61.94482	1.7
67.05511	4.2
69.03432	2.3
69.07077	3.1
70.06161	5.7
70.06572	4.3
71.05009	2.0
81.03435	2.1
81.07047	3.1
85.02898	2.2
91.05485	2.5
91.40815	1.5
93.07056	4.7
95.08646	1.9
98.97581	5.1
105.06986	2.1
107.04938	2.1
107.08591	4.0
109.10146	2.6
114.12795	8.9
116.98653	6.0
119.08591	3.6
121.06463	2.0
121.10123	2.8
128.98610	3.4
133.10072	2.5
134.99710	2.2
146.99664	3.1
149.04854	9.1
161.01215	2.8
163.07498	1.7
167.05898	3.4
176.68285	1.9
197.01184	17.0
201.00674	2.1
215.02281	17.4
219.01765	10.6
222.99144	3.1
237.00537	2.3
237.02834	33.6
241.00279	7.6
253.07530	13.7
255.03993	3.6
260.04370	2.3
263.50967	1.7
271.08542	18.4
279.05511	2.7
297.06467	26.2
315.07446	2.9
320.08142	2.8
333.11044	2.4
367.03439	5.7
369.12384	1.7
393.73264	1.8
405.08191	2.2
423.09650	7.6
439.09131	2.9
495.07825	2.0
495.09595	1.0
495.15402	63.7
513.16418	13.5
537.17267	53.2
581.16254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	4.5
67.05524	0.2
69.07069	3.4
69.56909	1.2
70.06589	2.0
71.07355	0.4
72.08138	0.5
75.02476	0.2
84.08141	2.0
85.08923	5.6
86.09713	1.1
95.08588	0.2
98.21478	0.4
99.10517	0.3
105.07063	0.2
106.05394	0.2
107.91993	0.1
114.12807	100.0
115.13152	1.0
120.08123	0.4
166.12480	0.2
167.07108	0.4
205.92767	0.2
353.08813	0.2
361.38162	0.2
412.14175	0.2
419.19565	0.2
536.27338	0.5
581.33551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.3
55.05513	35.7
57.03426	18.2
60.04525	19.4
60.90453	6.4
61.02918	8.4
67.05507	74.9
67.91696	7.9
69.03426	24.9
69.07063	49.2
69.98865	26.5
70.06596	19.3
71.04987	18.7
72.08147	8.4
73.02901	8.0
74.06083	7.1
79.05484	60.6
81.03429	36.5
81.07054	100.0
83.04987	17.3
83.08619	27.4
84.08140	9.5
85.02902	32.1
86.09711	7.4
88.78779	6.5
91.05476	62.5
93.07055	64.7
95.04976	28.9
95.08586	38.3
97.02897	18.5
97.06535	58.7
97.10150	20.5
100.11286	8.0
105.07034	41.2
107.04962	19.0
107.08573	32.4
109.02856	14.1
109.06518	27.2
109.10146	31.6
111.04441	11.1
111.08057	14.5
115.07558	15.7
117.07015	21.5
119.04960	12.1
119.08568	32.9
121.06508	12.1
121.10126	25.5
123.04429	13.6
123.08065	22.4
123.11729	7.8
125.09644	25.0
126.30254	7.0
127.03899	15.1
129.07016	10.0
129.10208	8.4
129.69568	7.6
131.08578	29.9
133.06487	10.7
133.10112	17.8
134.49814	5.7
135.08061	15.1
135.11703	23.2
137.06009	11.5
143.08537	13.4
145.10135	20.8
147.04341	11.6
147.08015	16.3
147.11691	9.2
149.05969	8.2
149.09599	12.8
149.13261	17.2
151.11220	7.1
157.10158	15.5
158.30612	6.2
159.11700	19.3
161.05989	7.0
161.09598	14.0
161.13275	6.5
163.03911	25.9
163.07552	18.0
163.11223	19.5
165.05492	20.9
165.09050	11.1
167.07092	13.0
173.05960	7.3
184.07335	11.9
189.11273	17.2
227.12894	14.6
269.17419	44.3
273.18530	41.9
281.08160	8.4
291.19577	65.1
298.16733	6.8
347.22119	9.9
365.00397	7.1
365.23203	67.4
383.24216	21.6
502.61057	7.1
508.40118	9.3
548.20361	8.5
580.22217	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.8
55.05506	34.7
57.03419	9.7
57.07050	8.8
61.02927	17.2
67.05511	100.0
69.03414	12.4
69.07064	66.5
70.47551	26.1
71.05009	14.0
72.14133	9.4
79.05502	55.4
81.03415	20.9
81.07053	95.8
83.04982	11.8
83.08633	15.9
85.02905	27.9
85.06557	9.1
87.55824	8.0
91.05494	62.9
93.07051	58.1
95.04973	35.3
95.08615	44.8
97.06529	17.3
97.10149	11.8
98.21451	7.7
105.07036	52.7
106.72220	7.2
107.04970	15.1
107.08604	38.2
109.06525	8.3
109.10175	38.7
111.08095	9.8
117.07036	7.0
119.08572	40.3
119.75189	8.8
121.06461	9.2
121.10112	18.2
127.03880	9.5
129.06952	10.5
131.08582	26.7
133.10132	28.6
135.07994	10.1
135.11671	16.4
145.10147	23.6
147.11662	19.0
149.09639	25.2
149.13257	12.0
157.10248	8.3
159.11630	15.1
163.11314	9.9
171.10255	11.5
173.11728	12.3
173.83527	8.9
179.07048	9.3
205.63115	8.3
229.14380	26.6
239.17998	8.7
243.15833	12.5
255.15921	15.3
257.19086	13.2
275.20087	37.8
287.05536	11.0
299.05417	23.3
300.06104	11.5
349.23804	77.6
384.22827	8.4
507.74203	8.8
562.25189	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
53.18024	3.7
55.01873	18.6
55.05309	3.7
55.05513	37.1
57.03432	21.6
61.02916	10.6
67.05502	100.0
69.03406	12.1
69.07063	65.9
71.04989	7.0
71.13940	5.3
71.14281	6.3
79.05493	55.7
81.03433	18.3
81.07053	81.6
83.04967	12.3
83.08604	16.8
85.02906	16.3
85.06531	8.1
91.03953	8.2
91.05466	66.2
92.05796	3.5
93.07040	49.7
95.04958	21.2
95.08606	63.6
97.02887	14.4
97.06509	21.4
97.10163	7.0
100.12091	4.2
100.55198	4.0
105.03386	4.3
105.07030	56.3
107.04925	14.6
107.08577	37.2
109.02858	5.5
109.06513	7.3
109.10133	41.8
111.04422	5.3
111.08080	9.4
115.05409	6.4
117.07021	22.4
119.08581	40.0
121.06473	9.3
121.09409	3.6
121.10143	19.6
123.08028	8.0
123.11674	8.8
125.09579	7.6
127.03934	5.3
129.06998	6.1
131.08585	21.9
133.10121	31.2
135.08075	5.5
135.11693	12.3
137.05980	4.5
137.09599	13.0
137.13293	6.0
141.06972	6.1
143.08577	6.1
145.10091	25.3
147.11681	16.7
149.06006	3.9
149.09633	25.6
149.13275	8.5
151.11139	6.4
153.01816	12.2
154.02158	7.3
157.10069	8.5
159.11667	16.5
161.13254	8.4
163.11169	15.0
171.10147	11.1
171.11606	6.8
173.11722	10.9
173.13254	12.5
175.11127	6.0
177.12630	4.2
179.14240	7.0
187.14702	5.2
198.36600	3.9
203.67734	3.9
229.14278	31.0
239.17841	5.4
243.15930	7.3
247.20573	6.2
253.18082	6.1
255.15997	8.7
257.19043	10.2
275.20059	54.4
278.16187	4.1
291.19504	7.2
293.21033	4.0
349.23706	84.7
367.24792	11.7
562.24225	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01872	1.7
53.03938	3.8
55.01855	3.0
55.05521	10.2
56.05033	3.9
56.51093	1.8
57.03423	5.2
57.07049	3.6
61.02909	2.9
62.72589	1.6
63.50632	1.5
65.03918	3.4
67.05497	21.5
69.03438	14.7
69.07066	19.5
70.06567	4.5
70.31443	6.7
71.04993	4.6
74.02439	22.7
79.05494	12.3
81.03410	16.2
81.07050	25.6
83.04965	2.7
83.08606	8.3
85.02906	25.1
87.00828	8.6
89.03791	1.7
91.05471	18.0
93.07031	16.0
95.04926	3.2
95.08609	24.0
96.08117	2.3
97.02874	10.2
97.06529	17.7
97.10159	4.1
99.04440	4.2
105.01853	7.6
105.07005	5.8
107.04916	2.4
107.08585	7.1
109.02859	7.9
109.06487	3.9
109.10144	10.3
112.28346	1.7
113.62899	1.8
115.07542	3.8
117.07010	2.6
119.04936	10.8
119.08585	4.5
121.10168	8.9
123.11608	2.5
127.03892	15.0
131.08554	3.6
133.10060	3.1
135.08035	3.5
135.11681	5.3
137.06004	2.7
138.06454	1.9
145.04945	6.6
147.04402	81.8
147.08037	2.0
148.04771	3.0
149.13248	4.7
151.07603	2.4
152.35268	1.9
159.02931	5.9
159.11668	2.7
163.07561	11.4
163.11337	2.0
165.05486	33.5
166.05881	2.1
173.05920	3.7
177.12773	3.6
179.07036	4.3
184.07430	1.8
231.05038	4.4
250.25296	57.9
267.06525	3.4
268.26334	27.3
269.17474	10.4
273.18381	6.2
286.51852	1.8
291.19504	2.3
296.25824	27.3
297.11237	13.7
314.26877	100.0
332.27924	41.4
338.26688	2.5
356.27887	4.9
392.82593	1.9
454.26147	2.2
526.29956	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01866	2.6
55.05508	5.6
56.05029	3.7
57.03434	2.1
60.04526	100.0
61.02934	1.5
67.05504	10.1
68.99789	1.7
69.03431	13.6
69.07072	4.1
69.38039	11.1
70.06587	2.2
71.05024	2.2
72.04501	2.9
73.02917	2.0
74.06074	3.5
79.05485	6.7
80.05005	1.2
81.03419	13.5
81.07057	12.0
82.06576	2.1
83.05006	1.3
83.08613	2.7
84.04496	1.6
85.02904	16.7
85.06543	1.3
86.06078	1.9
87.00837	5.3
90.05518	2.0
90.79409	1.0
91.05479	5.4
93.07046	6.7
94.06557	2.8
95.04965	2.6
95.08603	11.8
96.08140	1.2
97.02900	5.0
97.06530	1.0
97.10226	1.0
98.06048	1.2
99.04465	3.5
102.05518	2.4
103.03954	1.2
104.07104	2.7
105.01875	3.8
105.07037	4.2
107.04944	1.3
107.08605	4.9
109.02882	7.8
109.06504	1.6
109.10161	4.2
111.08080	1.3
116.07035	1.1
119.08599	3.5
121.10178	3.2
123.11741	1.7
125.09652	1.1
127.03904	12.1
129.01813	2.0
131.08551	2.3
133.10147	2.3
135.11732	2.4
145.04956	3.1
147.11719	2.1
159.02870	2.6
167.07109	1.5
173.13251	1.1
231.05042	1.1
239.81442	1.0
248.23488	1.0
260.23981	2.1
266.12418	1.3
274.09103	1.2
278.24710	7.0
295.53275	1.0
296.25833	10.6
308.09814	1.3
310.11447	2.5
314.26883	25.6
332.27942	70.9
356.27673	1.7
363.88202	1.0
374.29041	4.1
400.10941	1.3
536.34412	4.6
562.32538	5.8
580.33276	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61721	1.2
53.03938	3.2
55.05516	12.1
57.03433	10.9
57.07069	4.0
58.80807	1.2
65.03940	2.4
67.05502	49.5
69.07068	14.4
69.90656	3.3
69.91070	4.7
71.04987	1.9
71.08623	3.2
74.41972	1.3
79.05493	19.4
81.03417	11.5
81.07050	51.8
83.04964	2.5
83.08620	7.8
85.06518	2.4
89.32217	1.5
91.05470	13.3
93.07037	16.1
95.04981	3.1
95.08601	41.5
97.06525	4.3
97.10177	5.5
98.21523	2.1
98.98460	100.0
99.08102	3.2
105.07046	8.0
107.08607	11.7
109.02856	6.8
109.10146	20.5
111.08085	2.2
111.11720	1.7
116.99509	2.9
119.08578	8.8
121.10123	8.1
123.11695	8.2
123.29227	1.2
131.08588	2.5
133.10110	6.2
135.11674	3.9
137.09575	2.0
137.13246	3.9
140.01070	1.6
147.11717	2.7
149.13277	3.7
151.14844	3.2
155.01036	95.7
159.11684	1.5
161.13237	6.3
163.14822	2.8
175.14804	4.8
203.18007	1.7
245.22588	13.7
263.23666	27.2
296.68866	1.4
299.05197	3.4
317.06302	8.0
337.27341	55.7
367.22131	1.5
407.28180	1.6
425.28964	3.8
579.36743	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
53.24690	2.6
55.01854	2.9
55.05516	12.9
57.03452	14.3
57.07074	6.7
66.36606	2.4
67.05509	47.6
69.07074	12.8
71.58537	3.5
79.05498	21.2
81.03427	11.5
81.07062	62.8
83.05017	3.5
83.08614	10.8
89.69395	3.2
91.05448	13.6
93.07053	24.6
95.04976	5.1
95.08603	47.2
95.39335	2.7
97.06519	3.5
97.10167	6.7
98.98471	88.7
99.04488	2.8
100.14339	3.0
105.07059	13.9
107.08618	15.3
109.02875	7.9
109.10160	20.1
116.99507	4.1
119.08605	11.1
121.06526	4.2
121.10149	14.9
123.11726	12.3
123.95702	2.9
131.08540	4.7
133.10149	9.5
135.11723	8.7
137.13219	5.7
140.01053	2.7
145.10204	5.0
147.11710	7.3
149.13278	4.0
155.01048	100.0
161.13289	5.7
163.14818	3.2
172.94722	3.0
175.14862	4.0
178.05243	2.8
243.76167	3.4
245.22693	13.3
263.23767	26.6
286.17960	2.9
317.06375	9.6
337.27405	58.9
561.36749	4.3
579.37793	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94032	1.9
53.03934	5.1
55.05508	13.8
57.03421	8.1
57.07070	5.9
62.29432	1.8
65.61068	1.8
67.05504	87.6
69.03429	3.7
69.07063	15.6
70.83373	7.0
71.04978	3.7
71.08642	2.7
73.02897	4.4
77.91329	1.9
79.05489	41.1
81.03423	9.4
81.07053	100.0
83.08614	11.1
85.02900	2.9
85.06554	3.1
91.05467	21.3
93.06487	4.3
93.07043	50.7
95.04956	5.5
95.08604	72.5
97.02846	2.5
97.06530	3.7
97.10127	4.7
98.98464	35.0
99.04453	4.5
99.08104	2.0
105.07028	20.9
107.08594	36.2
109.02859	9.1
109.09479	2.6
109.10159	42.9
109.36972	2.0
110.03660	3.0
111.04444	4.8
111.08065	2.6
117.07011	9.7
119.08572	17.4
121.10143	31.5
123.11711	17.1
125.09772	2.1
127.03926	3.6
131.08566	18.5
133.10132	16.2
135.11668	25.1
137.13225	8.9
143.08588	2.4
145.10126	15.7
147.11678	11.2
149.13261	16.4
151.14745	2.4
155.01045	29.5
159.11749	14.5
161.13216	10.6
163.14767	10.3
173.13269	15.8
175.14825	6.1
177.16405	2.9
179.14223	2.5
181.10141	2.5
187.14801	7.7
191.00037	3.4
191.14294	2.4
233.22621	2.9
236.80687	2.0
243.21092	25.3
245.22588	5.2
259.14862	2.1
261.22137	95.2
263.23599	9.0
279.23123	4.1
317.06201	4.0
335.25839	18.4
337.27344	16.9
353.26859	61.0
369.24231	3.6
460.71664	2.2
561.27118	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82596	0.7
53.03933	1.6
55.01856	2.3
55.05520	4.8
57.03432	0.9
65.03918	1.0
67.05505	11.0
68.99804	0.8
69.03436	0.9
69.07067	15.0
71.04990	1.5
71.10500	0.8
71.10838	1.5
79.05492	12.0
81.03413	1.2
81.07054	11.0
83.04976	3.1
83.08602	1.7
83.26245	0.7
91.05463	7.9
93.07044	14.6
95.04964	7.6
95.08598	7.8
97.06524	2.0
97.10165	2.2
105.03408	1.0
105.07036	8.5
107.04916	4.1
107.08590	4.5
108.07101	0.7
109.06515	1.1
109.10174	3.7
111.00777	1.2
117.07030	2.4
119.08571	6.0
121.02857	5.6
121.06474	1.3
121.10137	6.6
123.08064	0.9
131.08595	3.6
133.02847	1.4
133.10124	4.7
135.04369	1.3
135.08078	5.0
135.08975	0.7
135.11717	1.3
137.02364	2.3
137.09576	0.8
139.11159	2.9
141.64981	0.8
145.06508	1.5
145.10127	2.9
147.04488	1.7
147.11662	2.3
149.09628	1.5
151.11201	0.9
153.01845	11.7
157.06487	1.1
157.10126	0.9
159.11676	1.6
165.00609	1.0
165.01799	4.5
169.10124	1.0
171.11690	0.7
177.12791	0.8
183.02917	1.5
183.11880	0.8
183.13748	1.2
185.05919	1.1
201.05536	1.1
203.07112	0.9
203.12761	1.7
207.13771	1.6
212.04720	0.8
213.05479	2.4
221.08044	2.2
222.08435	1.0
225.14810	0.8
229.04933	3.1
229.19467	0.9
230.05669	2.0
231.06613	1.5
233.21654	0.8
237.14861	2.8
243.06628	0.9
247.20641	1.1
257.04453	1.5
257.19028	1.8
258.05258	4.9
259.05994	1.2
269.04477	0.8
275.20071	14.3
285.03918	2.8
286.04703	6.8
287.05490	100.0
288.05771	1.9
293.21115	6.7
299.05481	6.8
310.04788	0.9
311.05472	13.7
325.07047	2.1
337.06964	1.0
367.11670	2.7
379.11942	4.2
393.13321	1.0
395.14923	4.3
479.16669	1.3
491.16537	1.1
511.30569	1.0
543.23871	3.0
561.24817	16.2
579.25409	3.4
599.60291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.207
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03912	0.3
55.01863	0.4
56.48912	0.2
57.03423	0.2
57.70379	0.2
58.82027	0.2
61.02915	0.5
62.00906	0.2
62.43782	0.2
63.50529	0.2
65.03920	1.0
67.05484	0.6
69.03418	1.3
70.13258	1.1
73.02899	0.3
78.04707	2.4
79.05469	0.9
79.05865	0.2
81.03402	0.6
82.04202	0.3
85.02897	2.1
87.04465	0.2
91.05467	1.0
93.03399	0.2
95.04950	0.8
97.02905	1.1
97.06504	0.5
103.05431	1.1
106.04157	1.2
107.04961	1.0
108.02119	0.2
109.02860	0.5
110.03642	0.6
111.04403	0.4
115.04796	0.2
115.05457	3.0
117.07012	4.7
121.06487	0.2
122.03636	0.4
123.04414	5.3
124.05200	1.7
125.05988	0.5
127.03899	0.3
127.05402	0.7
128.06184	0.3
129.06989	0.2
134.03619	0.4
135.04451	0.3
137.05954	0.4
142.02583	0.7
143.04852	0.3
144.05692	0.4
145.06473	9.4
147.08009	0.4
151.03899	1.2
152.04686	1.9
153.05467	0.4
155.04935	0.4
155.06018	2.0
161.05966	0.5
167.07027	100.0
168.07416	0.8
171.06512	1.5
172.05139	0.3
173.05975	18.8
175.07501	0.5
177.42516	0.2
181.04947	21.3
182.05299	0.2
201.05487	0.8
203.07066	0.3
205.08592	4.0
233.08072	6.8
235.09647	4.9
272.59363	0.2
355.11807	0.2
369.13684	0.2
380.26700	0.2
387.14346	21.8
388.14862	0.5
410.79672	0.2
417.15424	14.1
579.20691	40.8
580.20935	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01855	0.9
57.03422	0.4
65.03945	1.2
67.05486	1.1
69.03433	1.7
69.93457	0.2
70.64795	0.9
71.04935	0.3
73.02904	0.2
78.04707	2.3
79.05497	1.3
79.05844	0.2
81.03400	1.0
81.07038	0.3
81.72297	0.3
82.04191	0.3
85.02899	2.8
91.05461	0.8
93.03436	0.3
93.07018	0.6
95.04945	0.9
97.02878	0.9
97.06525	0.6
99.04442	0.4
103.05461	0.9
105.07018	0.3
106.04176	1.3
107.04953	1.5
107.08575	0.4
109.02868	0.7
109.10132	0.3
110.03632	0.8
111.04446	0.7
113.05957	0.3
115.05450	3.0
116.06247	0.3
117.06224	0.4
117.07014	6.4
119.08498	0.4
122.03569	0.4
123.04419	5.3
124.05206	2.0
125.06004	0.4
127.03896	0.7
127.05453	0.8
137.05925	0.4
138.03107	0.4
138.09122	0.7
142.02597	0.4
143.04901	0.5
144.05698	0.3
145.06482	10.3
146.06783	0.3
146.55127	0.3
147.08029	0.4
151.03871	1.3
152.04686	1.7
155.06001	2.2
167.07031	100.0
168.07378	0.7
171.06517	1.4
173.05975	19.3
175.07549	0.5
181.04944	22.3
201.05481	0.7
205.08609	3.5
221.08080	0.3
233.08081	6.1
235.07491	0.5
235.09650	5.4
235.11844	0.4
263.07074	0.3
277.21576	0.3
295.22745	0.3
387.14365	19.6
388.15009	0.4
417.15442	12.9
541.80621	0.2
579.20697	37.6
580.21167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2068
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
51.94714	0.4
53.03950	0.5
54.60313	0.4
55.01846	1.2
57.03425	0.6
65.03922	0.8
67.05472	1.3
69.03417	2.1
71.04970	0.5
71.57444	0.7
73.54385	0.4
78.04705	2.2
79.05466	1.6
81.03397	1.5
81.07034	1.2
85.02892	3.3
85.06529	0.5
87.04452	0.5
91.05441	1.0
93.06999	0.4
95.04940	1.2
95.08585	0.8
97.02865	0.9
97.06547	0.5
99.04488	0.5
100.11254	0.4
103.05460	1.4
105.04456	0.4
105.07009	0.5
106.04106	0.7
107.04926	1.5
109.02894	0.5
109.06535	0.4
109.10122	0.6
110.03637	0.8
111.04376	0.5
114.12751	0.5
115.05461	3.3
117.07005	6.0
119.92628	0.4
123.04417	5.3
124.05246	2.5
127.03897	1.1
127.05482	0.6
131.04912	0.6
133.10083	0.4
135.07997	0.5
135.11626	0.5
137.05943	0.8
138.03059	0.6
145.06482	9.3
147.07980	0.4
151.03871	1.0
152.04645	1.9
155.06052	2.7
163.03951	0.4
167.07028	100.0
168.07335	0.8
171.06520	1.2
173.05980	17.8
175.07526	0.6
181.04950	21.7
191.07069	1.0
201.05470	0.5
205.08551	4.0
206.16948	0.5
207.08308	0.5
221.08153	0.6
233.08058	5.4
235.09613	4.5
271.06110	2.0
295.22641	0.6
331.14807	0.4
331.26691	0.8
387.14368	18.5
388.14813	0.4
399.14709	0.4
417.15433	13.8
420.69901	0.4
535.33276	0.4
567.58777	0.5
579.20709	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.5
57.03419	2.0
67.05482	4.0
69.03410	6.8
69.07053	6.1
70.06580	10.5
71.58201	2.9
79.05485	4.7
81.03413	5.7
81.07042	6.3
84.08113	2.3
85.02915	17.3
86.06016	3.0
87.00828	2.0
91.05468	8.0
93.07043	6.4
95.04990	3.8
95.08575	8.6
97.02877	4.9
99.04465	2.6
103.05409	2.3
105.07034	10.4
107.08574	9.2
108.08029	2.6
109.02881	3.8
109.10113	4.6
116.07059	2.7
119.07796	3.0
119.08575	33.6
120.08058	3.4
121.02863	4.4
121.10109	3.6
127.03922	4.4
128.07112	2.6
130.06555	2.0
131.08571	4.6
133.10118	33.7
135.11708	5.0
137.05943	2.3
145.04958	4.0
145.10161	2.7
147.11667	8.8
149.09599	2.3
149.35646	2.1
163.03909	4.5
167.06970	3.0
168.35126	2.0
173.13257	7.9
175.14822	100.0
176.15211	1.9
189.12727	2.4
191.14252	5.2
192.13815	2.5
193.15836	9.5
198.10971	2.1
201.12694	4.6
208.09654	2.9
212.16452	2.7
216.12283	5.3
236.16415	3.5
276.23166	2.5
294.24240	6.8
301.17886	2.3
312.25378	4.9
330.26395	9.4
417.11722	3.3
473.07416	2.1
508.62112	2.3
524.53217	2.2
560.18274	2.5
578.32184	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01867	8.5
55.05505	49.1
57.03422	8.1
62.64796	5.5
67.05505	84.2
69.07057	26.2
69.78084	14.3
69.78488	27.6
71.81229	5.3
79.05503	53.8
81.07063	100.0
83.04986	12.1
83.08604	26.7
91.05460	40.5
93.07042	64.4
95.04958	8.2
95.08602	62.6
97.10146	29.0
98.02539	5.4
98.21410	9.4
98.52782	6.1
99.00822	6.6
99.27856	7.3
105.07023	46.8
107.04948	8.4
107.08575	33.3
109.02896	11.0
109.06487	8.8
109.10139	46.5
117.07002	18.2
119.08595	31.9
120.26196	5.8
121.06455	8.6
121.10107	19.0
123.11664	12.5
125.09602	12.5
130.85280	6.0
131.08537	27.6
133.10130	42.5
135.08105	6.0
135.11679	21.1
143.08531	12.3
145.10126	19.1
147.11676	15.4
149.13225	11.0
151.11177	8.3
157.10141	10.3
159.11684	13.8
161.09663	8.1
161.13216	7.2
169.10121	6.4
173.13274	15.4
183.11581	6.6
189.09030	10.0
189.11252	6.3
225.11266	19.2
227.12767	14.5
259.20612	6.6
261.22119	24.4
287.23578	9.7
299.14859	16.9
315.23013	8.7
335.25742	12.8
449.30502	7.7
467.31653	9.8
485.32675	15.8
513.35168	12.2
531.36963	12.6
541.35089	23.7
559.36035	41.0
577.37463	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	47.5
56.98632	10.3
58.57678	7.9
60.12784	7.0
67.05235	8.5
67.05503	86.0
69.07051	18.6
72.11230	7.8
79.05489	57.2
81.07041	100.0
83.04949	9.2
83.08598	26.1
84.89288	7.8
91.05463	46.0
93.07045	50.1
95.04939	17.5
95.08600	65.6
97.10142	18.0
105.06997	39.8
107.04929	16.9
107.08608	41.3
109.02885	13.3
109.06532	8.0
109.10136	33.7
111.08047	11.7
117.07031	8.9
119.08548	25.4
121.10130	21.5
123.11700	14.2
125.09612	18.0
129.07021	8.1
131.08553	28.7
133.10097	46.9
135.11694	24.0
143.08536	15.3
145.10092	24.2
147.11693	19.7
159.11681	15.8
161.13095	8.3
164.01076	8.4
169.10089	8.4
173.13210	8.7
175.14790	10.6
179.10667	9.6
189.11122	9.9
197.13300	11.8
199.14754	11.0
225.11180	9.0
227.12769	18.1
243.12466	9.3
261.22092	29.4
287.23734	10.7
299.14789	27.7
315.23129	12.7
335.25732	22.6
367.50949	7.6
421.30975	11.4
449.30295	12.1
457.33066	7.9
467.31583	17.1
513.35864	11.2
531.36536	8.5
541.34827	31.7
559.36615	51.1
577.37158	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46771	2.3
53.03944	4.6
55.01866	6.3
55.05511	29.0
55.61296	2.2
57.03434	10.2
59.04972	2.6
60.51379	2.4
65.03928	4.7
67.05502	48.8
69.03432	4.2
69.07066	42.1
71.04984	6.5
71.58633	3.4
79.05491	60.3
81.03426	4.8
81.07053	71.4
83.04959	14.5
83.08624	8.3
91.05463	48.1
93.06474	4.5
93.07044	67.1
95.04974	20.7
95.08604	38.0
97.06541	14.0
97.10180	10.5
99.08131	2.8
99.37301	2.4
103.05476	4.3
105.04434	2.1
105.07021	45.6
105.07677	3.2
107.04963	19.9
107.08590	31.5
109.06531	7.1
109.10149	11.2
111.08110	3.1
117.06995	11.5
119.08582	32.9
121.06498	4.6
121.10139	29.9
123.08080	6.1
123.11709	5.6
125.09641	3.2
129.06996	3.5
131.08571	17.9
133.10117	25.3
135.08067	22.5
135.11703	6.6
137.09641	3.1
139.11171	16.0
143.08549	2.7
145.10135	8.2
147.11661	30.3
149.09615	7.7
149.13232	5.4
153.01773	2.3
155.08496	2.9
157.10161	3.9
159.11719	8.0
161.09599	3.3
161.13196	3.6
163.07544	5.8
163.11192	5.4
165.12791	13.6
173.13287	3.1
178.63669	2.3
183.13872	3.9
185.13303	2.6
186.39716	2.7
187.13278	2.8
191.14302	3.6
199.26263	2.2
203.12799	15.4
235.50525	2.6
235.93083	2.5
237.14859	4.8
239.18025	2.7
247.20543	3.5
249.28311	2.6
257.19009	10.3
267.15900	7.8
275.20047	100.0
285.17038	7.7
293.21115	15.1
315.05042	4.6
349.23825	2.7
559.23340	3.4
577.24109	3.0
577.37305	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01835	1.9
55.05507	4.7
57.03410	0.9
64.99315	0.5
65.03924	1.0
67.05502	9.5
68.99757	1.0
69.03396	1.1
69.07063	4.2
71.03578	1.5
71.04950	0.7
79.05492	10.5
81.03365	1.9
81.07057	8.0
83.08581	1.3
85.06493	0.8
91.05475	16.8
93.07034	8.0
94.07802	1.0
95.04958	3.2
95.08594	4.8
97.02863	0.7
101.06020	0.5
103.05409	1.5
105.07026	13.6
107.01246	0.9
107.04948	0.8
107.08591	4.2
109.02834	0.9
109.06457	0.9
109.10111	1.8
109.89996	0.5
115.05400	1.4
117.07001	5.5
119.04897	0.8
119.07832	0.5
119.08585	9.0
121.02825	2.2
121.10103	2.1
123.04358	1.9
123.11647	0.7
127.03903	1.1
128.06174	0.6
129.06946	2.1
130.07703	0.6
131.08580	4.9
133.02789	0.6
133.06450	0.7
133.10118	6.3
135.04370	0.6
135.08072	0.5
135.11606	1.1
137.02338	35.1
137.03384	2.1
137.05902	0.6
137.09607	0.6
139.03889	1.4
141.01794	0.7
141.06918	0.9
143.04857	1.1
143.08478	1.6
145.06442	1.3
145.10124	4.0
147.04364	1.1
147.08107	0.6
147.11685	3.3
149.02274	1.6
149.05942	0.5
149.09546	0.6
151.03931	0.7
153.01819	17.2
153.06981	0.7
155.08507	1.2
157.06436	0.8
157.10091	1.0
158.11171	0.5
159.04327	0.7
159.11684	3.1
161.02345	1.1
161.05919	1.1
161.13182	0.9
163.03918	3.2
163.11221	0.6
165.00775	0.5
165.01826	6.3
167.03389	1.6
169.10030	0.7
171.04295	0.9
171.11589	0.6
173.05965	0.8
173.13214	1.2
175.03809	1.3
175.07416	0.9
177.01768	1.3
177.05357	0.7
179.03340	1.6
183.02913	3.6
185.05902	1.7
185.13196	1.2
187.03877	1.5
187.07468	0.9
189.01768	0.7
189.05470	3.0
191.03439	1.6
192.04149	0.7
197.05887	0.5
199.03845	1.2
199.07539	0.7
201.05415	1.3
203.03316	2.2
203.06970	1.8
205.04964	0.9
211.03946	0.8
211.07515	1.1
211.14781	0.5
213.05521	2.6
213.16429	0.6
215.03299	0.7
215.06949	1.3
217.04893	4.1
219.02754	0.5
221.08037	1.5
225.05605	0.7
227.03253	0.9
227.06987	0.7
229.04901	3.9
231.06404	1.2
237.05545	0.6
237.08960	0.6
239.06976	0.9
239.17952	0.7
241.04857	2.0
241.08594	0.7
243.06432	1.7
245.04498	3.6
249.18483	1.5
251.06996	0.7
253.08656	0.6
255.06357	1.1
257.04465	1.3
257.07922	0.5
257.18964	3.1
259.05954	2.5
265.05042	0.5
265.12393	0.5
267.06549	1.2
269.04449	1.2
271.06210	0.6
271.09555	0.7
273.03958	3.3
274.04684	0.7
275.20038	6.4
276.20813	3.4
282.05179	0.6
283.06082	0.8
285.03903	2.1
286.04623	0.6
287.05362	2.8
295.05969	1.2
298.05032	0.7
299.05554	2.5
301.03345	4.2
302.04190	2.2
303.04941	16.2
305.08072	0.7
309.07584	1.0
311.05527	1.6
313.03241	2.1
313.07056	2.2
315.04956	100.0
316.05264	1.8
317.06339	0.6
323.05661	0.8
323.09067	0.7
325.07068	1.6
326.04306	1.3
327.04941	4.1
329.06543	4.8
335.09064	1.0
337.06802	2.4
339.04968	5.7
339.08600	1.2
341.06549	19.8
342.07156	0.6
343.08090	12.0
347.08972	0.7
349.06967	1.0
351.08640	2.2
353.06543	3.5
355.08087	8.1
363.08566	1.0
365.06470	5.7
365.10364	0.9
366.07172	1.4
367.08087	6.0
369.09613	7.9
377.06345	2.5
377.10428	0.9
378.07288	1.4
379.08102	17.0
380.09006	6.9
381.09857	2.9
383.11145	0.7
391.07990	3.1
392.09128	0.7
393.09714	5.7
394.10635	0.9
395.11252	2.1
405.09671	2.7
407.11188	3.0
407.22104	0.6
419.11194	4.1
421.05435	0.9
421.12741	3.0
433.12729	4.5
435.14172	1.3
447.14352	1.8
449.15805	0.7
457.14642	0.7
465.15640	1.1
477.15125	0.8
483.16467	0.7
490.16446	0.7
491.16876	1.7
503.17032	0.8
507.16815	0.7
508.17426	2.6
509.17889	1.3
517.18341	0.7
531.23492	2.1
541.22125	2.3
559.23260	52.3
560.23639	1.1
577.24286	59.2
578.24860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96088	1.0
54.67697	0.9
56.96531	0.9
57.03428	1.5
58.09699	1.0
65.03900	0.9
66.45795	0.8
68.48643	1.1
69.03404	1.7
71.57009	0.9
79.05484	1.5
83.05000	1.5
85.02904	3.0
86.09731	1.3
91.05435	1.7
93.07036	1.4
97.02817	0.9
97.06540	2.0
103.05457	6.3
104.54552	1.1
107.04964	6.1
110.26533	0.9
111.04439	3.6
118.23293	0.9
119.04916	2.8
120.08100	100.0
125.05969	2.9
129.05481	2.3
131.04874	2.9
135.04419	1.9
136.07558	1.7
143.07054	2.4
149.06001	2.6
163.03918	4.2
166.08632	51.0
167.07037	4.0
185.08083	2.1
199.09665	3.9
213.82719	1.0
217.10648	5.8
237.03050	1.7
335.22467	1.2
407.47961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.40376	0.6
55.01874	0.9
55.05266	1.0
55.05509	10.7
57.03428	1.0
65.03938	1.1
67.05495	2.0
69.03443	5.5
69.07059	0.9
69.31048	0.7
70.24512	1.3
70.24904	1.6
71.04987	1.3
73.02927	1.0
73.06561	6.2
79.05484	1.5
81.03420	3.7
81.07064	2.3
85.02917	8.9
86.09708	1.4
87.00829	2.8
91.05485	1.5
91.07590	0.9
93.07056	1.9
95.04973	1.2
95.08598	2.1
97.02871	3.8
97.06527	2.1
98.21584	0.6
99.04462	1.7
105.01852	1.8
105.07047	1.0
107.04998	0.9
107.77016	0.7
109.02873	4.0
109.06535	2.2
109.10085	0.7
111.04420	1.5
114.56274	0.6
116.43501	0.7
119.08567	1.8
121.02856	2.3
121.10116	0.9
124.29296	0.8
125.06028	1.3
127.03908	3.8
128.07065	1.7
131.08560	1.6
133.06487	1.7
133.10138	1.0
135.11681	0.9
145.04958	1.6
145.10130	1.0
147.04408	0.8
149.02345	100.0
150.02777	1.2
159.02953	1.5
159.08020	0.9
161.06020	2.2
163.03986	1.1
167.03407	2.6
175.07617	4.7
181.08595	0.9
189.09138	3.0
190.09492	1.6
191.09647	0.6
203.07039	12.0
215.10757	1.7
216.11061	1.1
221.08096	18.7
221.10155	1.3
231.04919	1.2
255.21294	0.7
255.69728	0.9
259.09778	1.1
265.03879	0.8
275.12857	2.2
293.13828	29.7
312.08789	0.8
336.18237	0.8
466.57553	0.7
602.23480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.84755	0.4
55.01872	0.6
55.05509	18.7
60.50486	0.4
61.02909	0.6
61.32449	0.5
65.03939	1.0
66.67160	0.6
69.03431	2.7
69.07064	1.0
69.67126	0.5
70.06580	0.7
71.58232	0.9
73.06551	6.3
77.91236	0.6
78.37640	0.4
81.03407	2.6
81.07044	1.0
85.02902	4.5
86.09723	0.7
87.00819	1.1
91.05469	0.9
91.07584	0.8
93.07064	0.5
95.04928	0.7
95.08603	1.0
97.02884	1.7
97.06547	0.7
99.04430	1.4
105.01871	1.7
105.07033	1.2
107.08620	0.7
109.02874	2.0
109.10131	0.8
111.04431	0.6
121.02856	2.8
123.11674	0.6
123.79992	0.5
127.03915	3.2
145.04861	1.0
149.02338	100.0
149.96449	0.5
150.02702	1.2
159.02936	0.6
161.06104	0.5
167.03421	2.7
175.07542	1.4
190.05080	0.6
203.07007	4.9
221.08089	28.0
231.05116	1.1
275.12787	0.6
293.13818	19.6
294.14148	0.6
372.21259	0.6
475.70267	0.5
576.27435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
54.06516	1.0
55.01868	4.6
55.72142	1.3
57.03438	3.0
61.02914	4.1
67.05495	1.3
68.99786	5.0
69.03086	1.4
69.03435	22.2
69.07066	2.4
69.28168	2.7
69.28568	10.6
71.04997	2.8
73.02914	5.2
79.05488	4.2
81.03422	23.0
81.07056	4.8
85.02905	35.9
87.00835	16.0
87.07748	1.1
89.41193	1.3
91.05486	2.2
93.07069	2.1
95.04987	1.7
95.08594	1.4
97.02893	13.7
99.04433	7.0
103.03918	1.8
103.05486	1.8
105.01875	6.5
105.07024	2.5
107.04945	2.4
109.02886	21.3
111.04459	1.3
115.05492	1.0
117.01862	4.0
121.06481	3.5
122.27271	1.2
123.04420	5.9
127.03922	28.3
129.01851	3.7
131.04898	1.4
133.06477	2.2
135.04422	70.7
141.07082	1.2
143.71318	1.2
145.04973	10.1
147.02902	1.8
147.04408	2.5
149.05986	20.5
157.06454	2.8
159.02896	13.1
159.04404	9.6
161.05988	24.8
163.03935	1.8
167.08530	1.3
173.06015	6.6
175.07516	4.2
177.05487	7.5
185.05957	8.3
187.07532	2.2
189.05446	1.9
191.10670	100.0
197.06038	2.0
199.07472	2.3
201.05510	3.6
203.07004	8.4
213.05486	1.4
213.09137	2.4
214.06044	1.1
215.07184	1.6
215.10675	14.9
217.12250	16.4
227.07047	4.6
229.12276	1.5
231.05020	4.0
231.13692	2.2
233.11758	6.1
241.08546	2.2
241.12260	6.8
243.06514	2.8
251.07043	3.3
253.09656	2.9
254.10353	1.2
257.07968	1.3
257.11768	7.2
259.13217	6.8
269.08157	11.8
271.09705	10.2
283.13199	5.6
295.10147	3.8
299.12897	1.8
307.13058	2.2
313.11420	2.5
325.14261	5.9
327.15848	17.1
331.18915	1.2
337.10626	3.3
351.16083	5.9
369.16864	3.4
373.09134	6.5
375.20020	1.6
391.10437	5.8
393.16925	3.5
403.14014	6.3
429.15335	9.0
436.18686	2.0
439.16376	6.8
452.18143	1.9
483.12692	3.1
519.14679	3.4
520.87701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.4
55.05495	9.3
57.07067	9.4
67.05502	13.4
69.07057	5.7
69.35764	5.7
69.36160	38.5
70.06567	10.4
71.04988	14.8
71.08585	4.7
79.05480	11.5
81.07051	14.7
83.08616	11.6
87.04478	13.2
91.05458	8.4
93.07040	14.0
95.08620	7.2
96.08143	9.6
97.10175	13.4
98.09679	25.6
105.07053	5.5
106.06577	5.1
107.08612	4.9
108.08199	5.0
122.06017	19.4
124.07561	22.7
125.09663	7.3
126.76982	4.3
135.08067	4.9
136.07550	23.6
140.07053	17.0
140.21292	4.2
148.07588	15.8
148.54089	4.1
149.08374	8.0
232.17038	18.4
250.18077	20.6
260.16504	62.8
268.19211	10.4
278.17432	24.8
296.18542	80.4
372.00821	5.5
376.52911	4.8
556.39966	100.0
581.85803	4.9
583.55438	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01868	1.1
55.05496	0.2
67.05504	0.9
68.99783	0.7
69.03405	0.8
69.07071	4.4
71.01340	0.3
71.58404	0.2
71.58799	0.3
79.05515	1.0
81.03408	1.0
81.07032	0.6
83.01325	0.7
84.55207	0.2
85.02909	1.0
86.72445	0.2
87.00809	0.2
91.05473	1.0
93.07030	0.5
95.05006	0.9
95.08608	0.5
97.02866	0.5
103.05451	1.9
105.03371	0.8
105.07043	0.4
107.04931	1.0
107.08606	0.3
109.02882	2.1
109.10167	0.3
110.73586	0.2
111.04414	0.6
114.25533	0.2
115.05489	0.5
119.04923	0.4
119.08559	0.5
121.10120	0.2
123.04429	20.2
127.03929	0.5
128.06227	0.3
129.06956	0.2
131.04927	2.7
131.08586	0.3
132.05708	0.3
133.06425	0.3
135.04430	2.8
137.02312	0.6
141.07016	0.2
143.08546	0.8
145.10083	0.4
147.04411	9.3
148.05138	0.3
149.05910	0.2
153.06958	0.4
155.08566	0.3
157.06418	0.5
157.10089	0.2
159.04416	14.0
160.05225	1.7
161.05998	2.6
163.03967	0.3
165.06921	0.4
167.08578	1.1
169.06476	0.5
171.08049	1.7
173.05986	0.7
173.09622	0.5
175.07521	0.2
177.05490	0.4
177.06975	0.4
179.08650	0.3
181.06438	0.5
182.07281	0.3
183.08128	0.5
184.05267	0.2
185.05986	0.7
185.09602	0.7
186.06799	0.3
187.07585	1.6
191.10648	1.1
195.08060	2.8
197.05998	0.5
198.06763	1.4
199.07516	3.8
200.04597	0.2
201.05428	0.2
201.09167	1.2
205.06538	0.4
209.05902	0.2
211.07516	0.2
213.05495	0.7
213.09099	2.9
215.07051	3.4
215.10468	1.1
223.07538	3.7
224.08308	0.5
226.06233	2.6
227.07007	2.2
239.06953	0.4
240.07829	0.4
241.08594	5.0
251.07030	4.0
252.07756	0.9
254.05794	0.7
256.07275	0.4
257.08121	1.3
267.06436	0.3
269.08078	100.0
270.08405	1.9
293.07938	0.3
311.09097	0.5
325.14331	99.2
326.14706	2.4
328.95840	0.2
335.08902	0.2
367.15442	0.5
415.15277	0.2
499.12128	0.3
515.89038	0.2
517.13403	1.4
555.22272	0.3
573.19336	3.2
573.48682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03939	1.1
55.01873	0.9
55.05495	0.4
57.03430	0.4
61.02902	0.4
67.05485	0.7
68.99781	0.8
69.03428	3.3
69.07052	0.5
71.04977	0.4
71.08647	0.3
71.58183	0.4
73.02915	0.6
79.05483	1.7
81.03413	3.0
81.07042	1.3
85.02901	6.1
87.00832	1.6
91.05470	1.0
93.07030	0.8
95.04973	2.0
95.08598	0.8
97.02896	1.9
97.10133	0.2
99.04445	1.1
105.01842	1.4
105.07022	0.9
107.04948	100.0
108.05276	1.0
109.02881	2.5
109.10156	0.3
115.05425	0.3
117.01841	0.2
117.07083	0.3
119.04928	0.3
119.08582	0.5
121.06487	0.7
121.10139	0.4
123.04411	0.6
123.08035	0.2
125.06033	0.3
127.03901	4.1
129.01854	0.3
131.04912	1.5
131.08542	0.3
133.10068	0.3
135.04417	0.9
135.79247	0.2
137.06064	0.3
145.04926	0.9
147.03291	0.3
147.04381	1.8
147.08015	0.5
149.05968	3.5
149.09557	0.2
151.07513	0.3
157.06537	0.3
159.02869	1.3
159.04208	0.3
159.08087	0.4
161.05957	2.1
163.07545	0.5
165.05479	5.3
165.06860	0.5
173.05962	0.6
173.09572	0.3
175.07518	0.7
176.64780	0.2
177.05469	1.8
177.09071	2.8
179.07146	0.3
187.07535	0.4
189.03889	0.3
189.09093	2.3
191.07016	1.0
191.10695	0.6
201.09106	3.6
203.06926	0.5
210.68559	0.2
213.03938	0.2
216.92250	0.2
219.10150	32.3
220.10495	0.3
231.05005	0.7
231.10162	0.5
269.08054	0.9
285.11072	0.3
307.13193	1.5
325.14313	52.1
326.14700	1.6
367.15005	0.3
401.59952	0.3
442.33316	0.2
573.29639	0.4
573.48981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01878	8.3
55.05497	3.2
57.03432	3.1
61.02922	2.8
65.03930	2.6
67.05490	6.0
68.99787	3.0
69.03429	18.3
69.07051	4.4
69.47355	8.8
69.47770	4.7
70.06590	2.0
71.04980	3.9
73.02900	3.2
73.03521	1.6
79.05492	6.9
81.03426	16.4
81.07051	12.3
83.04981	4.1
85.02899	42.1
85.06557	3.4
86.09713	2.0
87.00825	10.3
87.37962	1.7
91.05466	9.8
93.07047	9.1
95.04946	5.1
95.08595	5.8
97.02905	12.0
97.06521	3.8
99.04448	6.5
105.01865	4.9
105.07035	11.4
107.04942	5.4
107.08570	4.5
109.02872	17.4
109.06508	5.0
109.10156	5.6
111.08083	2.2
115.05468	2.0
115.34333	1.3
117.01799	2.2
117.07003	3.3
119.04971	2.8
119.08593	7.3
121.06471	2.5
121.10126	4.4
123.04424	3.1
123.08051	1.8
127.03915	27.4
128.06230	2.7
129.01823	1.9
129.07033	2.3
131.04930	3.2
131.08527	3.9
133.06445	2.3
133.10101	3.5
134.09650	1.7
135.04387	2.9
137.02312	2.2
137.05934	4.1
137.09593	1.8
138.47224	1.9
141.06934	1.5
143.08531	7.0
145.04941	6.7
145.06482	11.4
145.10098	3.3
147.02841	1.5
147.03302	1.9
147.04402	15.3
147.08051	31.2
147.11722	2.1
149.05946	11.2
153.09187	1.7
157.10110	1.9
159.02924	6.5
159.08035	2.4
159.11713	2.4
161.05965	6.0
161.09645	3.6
163.03883	2.1
163.07513	10.8
169.10103	3.1
171.08069	11.0
173.05986	6.7
173.09666	5.8
175.11148	2.0
177.09064	2.0
187.11220	2.1
187.14851	1.9
189.03954	1.9
189.09106	100.0
195.08000	2.0
197.09587	4.5
199.07616	3.0
200.08170	3.5
211.07538	1.7
213.05507	1.9
213.09097	3.6
215.10686	54.8
220.66055	1.5
227.10657	1.8
231.04982	4.0
231.10153	4.4
239.10733	1.5
255.10239	2.6
257.11758	3.3
269.04449	6.4
269.08121	2.0
281.11612	2.0
305.11618	2.4
307.26141	3.0
323.12744	5.6
325.10660	7.1
325.14282	24.8
325.23734	2.1
349.14352	4.2
367.15356	2.9
401.12433	2.4
427.13525	2.2
573.29407	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01868	4.0
55.05507	1.4
57.03422	2.9
59.03308	0.6
61.02913	2.9
67.05502	1.3
68.99776	2.2
69.03080	1.3
69.03428	15.2
71.02608	1.6
71.04986	1.7
73.02898	2.8
79.05479	1.7
81.03413	14.9
81.07053	3.7
85.02900	31.0
87.00830	11.4
88.79729	0.8
91.03935	1.1
91.05477	5.7
93.07030	1.9
95.04978	0.9
95.08605	1.8
97.02897	8.8
97.06490	1.0
99.04461	5.7
103.03952	1.3
105.01865	7.2
105.07045	3.5
107.04951	1.5
108.06135	0.7
109.02879	14.5
109.06485	1.3
115.05496	1.1
117.01853	1.3
117.07014	2.6
119.04953	2.2
119.08586	3.9
121.06478	1.3
121.10084	1.1
123.04438	1.6
123.08139	0.7
127.03917	23.4
128.06230	2.9
128.49858	0.6
129.01833	2.7
129.97008	0.6
131.04955	1.3
131.08601	0.8
132.05736	1.0
133.06473	0.7
133.10123	2.6
135.04391	2.7
141.06972	1.2
143.08589	4.0
144.60220	0.7
145.04961	6.6
145.06462	10.7
145.10129	1.2
147.02861	1.4
147.04413	15.1
147.08043	28.1
147.09225	1.4
149.05956	6.4
153.07022	0.7
155.08556	0.9
157.06563	0.8
158.07176	1.1
159.02881	7.8
159.08066	1.7
159.11702	1.2
161.06007	4.1
161.09602	4.0
161.69479	0.7
167.07056	0.9
169.10094	1.6
171.08022	10.4
173.05983	5.7
173.09648	6.0
174.06732	1.5
177.09204	0.8
179.08534	2.3
182.07288	0.8
185.06036	0.7
187.07549	1.5
187.11177	2.0
189.03972	2.0
189.09102	100.0
190.09415	1.7
195.08142	0.8
197.09583	4.9
199.07558	2.0
200.08340	1.9
203.61940	0.8
211.11186	0.8
213.09114	4.6
215.10669	59.9
216.11041	0.8
216.13997	0.7
227.10661	2.6
229.12169	1.1
231.04889	4.2
231.10126	2.5
239.10651	1.7
251.10667	1.3
255.10222	1.9
257.11710	4.0
281.11749	2.5
305.11597	0.8
309.11292	0.8
323.12717	4.1
325.14301	19.8
349.14322	3.5
367.15332	2.1
391.15466	1.6
401.12314	1.9
415.15274	2.1
427.13696	2.9
445.14777	1.3
529.26105	0.9
563.81372	0.8
573.26050	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19379	0.3
52.42095	0.3
53.03936	0.9
55.01860	0.6
55.05511	0.4
57.03440	0.4
61.02907	0.5
67.05498	1.1
69.03432	2.1
69.07068	0.6
70.56802	1.1
73.02908	0.4
77.36771	0.3
79.05489	1.5
81.03421	2.4
81.07066	0.8
82.65703	0.3
85.02906	3.4
87.00820	1.4
91.05482	0.9
93.07035	0.7
95.04974	2.0
95.08609	0.5
97.02863	1.6
99.04453	0.5
105.01857	0.9
105.04512	0.5
105.07024	0.5
107.04954	100.0
108.05292	0.9
109.02895	2.1
109.06467	0.4
109.10154	0.6
119.08601	0.4
121.06503	1.1
121.10078	0.3
123.04404	0.4
127.03909	3.2
131.04929	1.2
131.08556	0.6
131.83018	0.3
135.04401	0.9
138.97762	0.3
145.04953	1.3
145.06422	0.4
147.04372	1.2
147.08113	0.3
149.05977	2.6
159.02878	1.0
159.04306	0.5
159.08089	0.4
161.05949	1.5
163.07503	0.6
165.05476	5.3
171.08124	0.4
175.07611	0.4
177.05481	2.4
177.09076	3.4
187.07500	0.9
189.09193	1.7
191.07010	1.0
201.09093	2.5
219.10159	35.3
220.10388	0.4
231.10112	0.9
269.08145	1.0
279.24310	0.3
307.13187	1.9
325.14337	54.2
326.14764	0.8
345.16629	0.4
389.35428	0.3
406.99466	0.3
491.63159	0.4
494.90884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
55.05503	0.5
59.52530	0.4
63.00061	0.4
63.44338	0.5
66.92494	0.4
67.05473	1.8
68.99772	0.7
69.03406	0.9
69.07066	3.3
71.12149	0.4
71.58489	0.7
72.26349	0.4
72.99610	0.4
79.05453	1.5
81.03403	1.2
81.07041	1.4
85.02890	0.9
85.54778	0.5
91.05444	1.3
93.07036	1.5
95.04943	1.0
95.08590	1.2
99.04413	0.5
103.05457	1.6
105.03413	0.7
105.07008	1.0
107.04929	0.9
107.08546	1.1
109.02888	2.2
109.06498	0.5
111.04433	0.9
119.08570	0.6
121.10126	0.7
123.04424	19.5
127.03882	1.0
131.04935	2.5
131.08531	1.1
133.10110	0.5
135.04401	2.2
135.67114	0.4
143.00316	0.4
143.08580	0.6
147.04402	8.4
152.92465	0.4
155.08578	0.5
157.06502	0.6
157.10187	0.4
159.03073	0.6
159.04395	11.3
159.11655	0.5
160.05161	1.7
161.05965	2.6
167.08516	1.0
171.08032	1.9
173.05948	0.7
173.09677	0.5
176.42229	0.5
177.05411	0.7
177.07024	0.5
181.06631	0.5
183.07959	0.6
185.05911	0.6
185.09537	0.6
187.07498	1.2
191.10663	0.7
195.08043	3.0
197.05843	0.5
198.06721	1.1
199.07532	3.2
201.09047	1.1
213.08995	2.5
215.07098	2.3
215.10684	1.1
223.07510	2.6
226.06221	2.0
227.06985	1.7
240.07831	0.5
241.08554	4.6
251.07043	3.1
252.07849	0.8
254.05731	0.8
256.07339	0.8
257.08090	1.2
269.08066	93.6
270.08408	1.7
311.08762	0.6
325.14319	100.0
326.14691	2.2
453.21249	0.5
517.13489	1.1
563.53217	0.6
573.19775	2.1
573.30719	1.3
573.48389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28835	11.5
54.53104	10.6
55.05521	25.6
59.99784	11.0
67.05506	62.5
69.07052	47.1
69.58579	100.0
79.05489	42.6
81.03434	13.9
81.07064	65.5
83.08588	13.6
91.05464	41.1
93.07051	72.7
94.29501	13.8
95.04982	14.8
95.08614	58.5
105.07021	44.1
107.08556	26.2
108.01282	13.7
119.08601	39.4
121.10117	39.7
129.06981	12.3
131.08543	26.3
133.10109	35.7
135.11731	22.1
139.11127	24.8
145.10057	18.9
149.13246	13.4
150.16331	12.5
159.11693	22.9
169.10214	12.8
173.13269	13.9
203.12834	16.0
218.94312	14.0
244.76030	13.0
274.20258	13.4
275.20047	55.7
277.21704	45.7
295.22684	17.6
354.82452	12.6
360.56906	12.0
369.31372	12.3
371.29343	40.9
387.15817	13.5
492.61664	11.8
535.41766	15.3
553.42365	30.8
566.90930	13.8
571.43445	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.6
53.54636	4.8
55.01872	20.0
55.05515	72.3
57.07076	8.6
61.34404	4.4
62.46321	5.5
67.05508	86.1
69.07071	57.9
69.24305	64.8
71.04996	7.7
76.83941	6.5
78.73147	5.6
79.05506	53.8
81.07066	70.0
83.04984	7.9
83.08637	30.4
85.06567	6.8
85.74739	5.9
91.05481	53.0
93.07053	63.8
95.04958	12.7
95.08611	66.4
97.06545	18.9
97.10181	39.5
97.10749	6.4
105.07040	57.6
106.16799	5.1
107.08598	45.6
109.10162	38.4
117.07019	57.2
119.08589	59.4
121.10199	25.9
123.08084	9.8
123.11709	9.6
125.09655	24.1
125.74660	4.8
128.06233	7.5
129.07030	19.9
130.07796	8.0
131.08574	62.6
133.10155	41.2
135.11702	14.0
141.07054	5.9
143.08560	23.2
145.10109	54.9
147.11693	25.7
149.13280	7.3
155.08566	16.8
157.10150	26.5
159.11705	49.8
161.13278	11.7
167.08606	5.7
169.10139	8.8
171.11737	20.8
173.13321	40.9
175.14848	8.1
183.11696	14.0
185.13258	20.0
187.14861	18.3
189.11275	12.5
195.11742	8.1
197.13313	9.1
199.14899	13.7
201.16388	14.6
211.14972	9.8
213.16484	9.1
215.17935	7.4
225.16299	6.1
227.17816	6.9
229.19531	5.9
237.51630	5.1
262.42194	5.4
268.26318	5.1
274.30756	5.4
315.23239	9.8
342.18823	6.5
367.29892	9.9
383.33160	7.5
385.31070	100.0
396.57898	5.9
459.34833	11.0
513.39099	5.9
517.40521	11.8
535.41553	25.0
553.42633	70.2
571.43689	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	0.7
55.05496	0.6
57.03426	0.3
65.03925	0.4
67.05509	1.7
68.99786	0.5
69.03412	1.6
69.07050	0.9
69.25561	1.8
69.25986	1.4
71.01342	0.4
72.92200	0.3
79.05489	2.9
81.03407	1.8
81.07052	7.6
83.04976	0.4
85.02912	1.4
86.09702	0.3
91.05482	2.8
93.07029	1.8
95.04958	1.1
95.08604	2.4
97.02876	0.7
97.06520	0.5
103.05449	0.3
105.04521	0.3
105.07017	1.8
107.04947	1.9
107.08588	1.3
109.02874	1.2
109.06509	6.3
109.10148	1.0
111.08056	0.4
115.05451	1.1
117.07013	0.8
119.04949	2.9
119.08549	0.8
121.02865	0.5
121.06490	0.8
121.10130	1.0
123.04420	9.6
123.08051	0.7
123.11740	0.7
125.09657	0.3
127.03896	1.6
128.06189	0.9
129.06982	0.9
131.04887	0.7
131.08582	0.5
133.02812	0.6
135.04419	2.5
135.08044	0.4
135.11681	0.5
137.02345	0.7
137.05907	0.8
141.06960	0.7
142.07716	0.4
143.08563	1.0
144.05745	0.4
145.06491	1.3
145.10146	0.4
147.04401	22.8
147.08026	1.9
148.05115	0.4
149.06009	0.6
149.13269	0.9
152.06187	0.5
153.05437	1.0
155.08571	0.4
157.06474	0.9
157.10124	0.7
159.04376	1.0
159.08035	1.0
159.11691	0.4
160.05162	0.5
161.05983	1.7
161.09616	0.6
161.13365	0.4
163.03920	1.6
163.07539	0.8
167.08563	1.1
168.15298	0.3
169.06502	0.6
169.56744	0.3
170.03716	0.4
170.07207	0.4
171.04369	1.9
171.08035	2.0
173.05957	1.4
173.09653	0.4
174.06763	1.3
175.07539	1.1
177.09142	0.4
179.03403	1.2
179.08426	0.6
181.06462	0.7
183.08070	0.5
184.05424	0.3
184.07257	0.4
185.05975	1.5
185.09526	2.7
186.10306	0.4
187.03868	0.3
187.07486	2.6
189.09093	4.4
195.08020	2.8
196.08704	0.4
197.05962	0.9
197.09554	0.4
198.06699	2.6
199.07521	2.7
201.09016	0.4
203.07014	0.4
207.08052	0.6
210.06639	0.3
211.07541	1.5
213.05525	0.8
213.09087	6.8
214.09534	0.4
215.06976	2.3
221.06061	0.3
223.07491	0.8
224.08298	0.6
225.05409	0.4
225.09055	1.3
235.07545	1.3
237.09175	0.5
238.09749	0.5
239.07066	1.5
239.10698	0.3
240.07698	1.8
241.04895	0.4
241.08482	0.4
248.08275	0.4
249.09138	0.5
250.06352	0.4
251.07059	0.9
252.07756	0.4
253.08578	2.9
253.12299	0.8
255.06522	1.0
256.07208	0.6
261.08884	0.3
262.09872	1.1
263.07022	1.2
263.10651	0.3
265.08643	0.7
266.05872	0.4
266.09143	0.5
267.06534	0.7
267.10104	0.6
267.13684	0.6
268.07230	0.4
269.08127	1.4
277.08734	0.3
277.12216	1.2
279.06662	0.3
280.07233	2.2
280.10480	0.5
281.08090	2.6
281.11578	0.6
290.09390	1.0
291.10175	1.4
293.08066	1.1
294.08765	0.8
295.09656	1.1
295.13275	3.6
305.11444	1.4
307.09531	1.9
308.10361	3.9
323.12747	100.0
324.13095	3.2
347.12741	1.0
365.13828	1.4
389.13504	0.3
535.13831	0.5
571.17371	0.6
571.25726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01862	0.7
55.05486	0.8
56.27765	0.2
56.96560	0.3
57.03431	0.4
57.07064	0.3
57.66225	0.2
58.88289	0.2
65.03951	0.2
67.05494	0.8
68.99786	0.2
69.03427	1.3
69.07079	1.2
71.01347	0.2
71.04974	0.3
71.16338	0.5
77.03925	0.3
79.05489	1.1
81.03417	1.3
81.06640	0.3
81.07058	2.7
83.04977	0.3
85.02890	1.4
85.06535	0.3
87.00810	0.5
91.05480	3.5
93.07021	0.9
95.01316	0.9
95.04957	0.8
95.08609	1.0
97.02891	0.8
97.06506	0.2
97.10149	0.9
99.04444	0.5
105.01856	0.4
105.03406	0.6
105.07037	1.6
107.04963	1.1
107.08585	1.2
109.02876	0.9
109.06505	1.4
109.10126	0.5
111.36362	0.2
115.05439	0.3
116.10719	0.2
117.06988	0.7
118.71413	0.2
119.04954	3.0
119.08558	2.3
120.02097	0.3
121.02840	0.2
121.10126	0.4
123.00783	0.7
123.04442	0.4
123.11665	0.7
127.03909	1.7
128.06209	0.7
129.07005	2.0
131.04932	0.5
131.08557	0.8
133.02815	0.8
133.06473	0.5
133.10117	0.3
135.04456	0.3
135.08031	0.4
135.11650	0.5
137.05911	0.3
137.09586	0.4
137.13243	0.3
139.11111	0.2
141.07005	0.7
144.05685	1.2
145.04938	0.4
145.10114	0.3
147.04405	6.9
147.08046	5.0
147.11728	0.4
149.02339	1.8
149.05986	0.5
149.13255	0.5
151.03896	2.0
153.05508	0.4
156.24731	0.2
157.06482	0.9
159.02907	0.5
159.04381	0.2
159.07993	0.6
159.11713	0.2
160.05190	0.4
161.02342	11.8
161.05968	4.7
163.03905	2.1
167.03407	5.3
173.06085	0.2
175.03967	1.9
175.07558	2.8
179.03355	0.6
185.04433	0.5
185.05981	5.3
187.07529	5.6
188.04652	0.8
197.06010	0.3
203.07024	100.0
204.07401	1.3
221.08092	1.0
281.08249	0.5
281.11707	0.6
301.08871	0.2
305.24713	0.6
323.12766	71.7
324.13034	1.4
409.19943	0.3
409.25656	1.1
499.10895	0.2
527.19073	1.3
571.17499	1.8
571.31793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
53.29869	1.4
55.05503	4.2
57.68681	1.4
60.08159	2.4
67.05492	5.8
69.03423	3.1
69.07045	3.3
70.06587	1.8
71.04969	1.7
71.07359	2.5
71.58276	2.9
79.05492	3.5
81.03415	4.2
81.07046	4.0
82.06608	1.8
83.04993	1.7
84.04482	1.7
85.02895	4.6
86.09704	16.4
91.05479	6.5
93.05805	1.8
93.07049	5.4
94.06551	4.6
95.04982	1.9
95.07360	4.3
95.08595	4.8
96.08136	10.1
97.02913	2.8
97.06537	1.4
97.10195	3.3
98.98457	1.7
103.05436	2.2
104.10760	2.0
105.07024	3.3
106.06564	2.1
107.08575	1.7
108.08101	8.4
109.02879	3.1
110.09693	11.4
116.04241	1.5
116.04939	10.3
120.08103	21.2
121.10136	2.1
122.06014	8.2
124.07572	25.7
125.00021	12.5
126.83270	1.5
127.03895	3.8
136.07542	11.9
137.05911	1.8
138.09134	17.8
144.04437	18.8
145.10194	2.1
146.06026	1.8
148.07553	6.6
152.07054	6.2
154.08607	2.6
160.03928	2.5
162.05435	7.3
163.03946	2.3
166.08626	26.5
172.03923	78.6
182.08147	2.1
184.07326	52.1
184.08992	2.7
190.04976	36.2
191.05537	1.7
198.07655	2.9
204.06544	100.0
214.10754	6.1
216.14554	1.5
223.08618	4.2
236.09442	3.3
237.10274	4.1
249.10146	2.8
251.08139	6.6
251.11812	3.1
252.08910	2.0
253.09741	4.6
255.11279	2.5
264.08939	7.5
264.57169	1.9
265.06390	2.5
265.09717	15.4
266.10577	4.8
267.11230	2.6
277.09641	1.7
279.07596	12.9
279.11304	5.6
280.08682	2.9
281.09229	4.4
282.09970	3.4
283.10760	3.3
285.12363	1.8
292.08466	6.5
293.09189	15.0
294.09891	7.0
295.10590	2.2
297.12305	12.8
299.10434	2.9
307.10822	7.1
309.12323	7.7
311.10248	4.7
313.11801	5.2
320.07941	4.4
321.08804	2.4
325.11798	59.0
329.14835	2.6
335.10345	4.5
338.09055	11.1
339.13708	2.0
341.11319	14.3
343.12918	19.0
353.11279	42.8
357.14487	11.1
373.13852	13.0
385.13931	16.4
409.05396	4.9
462.20099	1.8
477.35522	1.9
478.19943	3.9
488.17996	4.3
506.19257	41.2
520.20844	1.7
524.20337	2.5
538.21838	81.0
539.21741	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.05502	25.7
55.50773	6.8
65.03925	6.8
67.05507	60.0
69.07059	25.8
71.59406	11.9
79.05505	58.4
81.07055	71.7
83.08608	8.7
89.06037	13.1
91.05468	46.2
93.07034	68.4
95.04991	11.6
95.08595	47.4
105.07040	36.0
107.05057	7.4
107.08612	40.4
108.84863	6.1
109.10147	17.1
117.07014	19.9
119.08579	25.4
121.10143	34.9
131.08582	36.0
133.10106	16.2
135.08118	8.0
135.11731	15.5
143.08572	10.4
145.10063	19.7
147.11722	15.1
157.10127	11.1
159.11630	8.1
161.13226	7.8
171.11678	9.6
173.13283	10.7
185.13237	14.2
189.16359	11.1
201.32918	6.8
207.37286	8.7
235.16998	7.8
357.92889	8.5
551.40924	14.2
569.42163	100.0
569.57062	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	41.2
58.69029	8.2
64.82768	8.0
67.05499	68.8
69.07045	27.7
71.08625	14.0
71.59378	11.2
79.05504	46.4
81.03423	13.8
81.07063	41.8
83.04953	8.6
83.08594	12.8
84.05125	8.6
84.98754	8.3
85.74927	8.3
91.05481	46.1
93.07042	63.5
95.04972	8.6
95.08607	57.0
105.07011	36.8
107.08572	28.3
108.85732	8.4
109.10169	15.2
117.06992	23.6
119.08621	41.9
121.10146	20.9
123.08075	11.6
129.07039	16.1
131.08534	25.6
133.10080	17.3
135.11670	11.3
137.09512	9.3
141.06921	9.3
143.08549	28.0
145.10100	25.9
147.11649	16.4
151.11177	26.2
157.10149	19.7
159.11687	23.5
159.55945	8.7
167.08553	10.9
169.10219	12.5
171.11681	12.1
172.24774	8.9
183.11613	12.1
185.13249	11.7
187.14832	9.5
189.26083	9.5
197.13416	9.3
293.20950	14.2
385.31079	16.7
398.95029	8.8
541.42865	14.0
551.40967	23.1
569.41888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	20.9
64.52281	7.9
67.05500	91.7
69.07061	20.7
69.25232	100.0
69.38787	8.1
75.71231	7.7
79.05494	56.0
81.01678	8.9
81.07054	52.0
91.05470	93.6
93.07046	68.6
95.04963	19.7
95.08624	61.3
97.06552	10.6
97.84726	8.5
105.07030	90.6
107.08613	39.4
109.10151	24.6
117.07034	26.4
119.08568	86.6
121.10151	31.9
129.06998	19.5
131.08600	45.6
133.10124	57.5
135.11749	13.6
137.09674	12.8
143.08516	13.2
145.10161	27.1
147.11693	49.6
149.13228	14.1
157.10114	19.3
157.58492	8.4
159.11696	28.5
161.13272	27.8
171.11682	11.4
173.13263	13.7
175.14807	13.5
183.11816	10.1
185.13309	11.1
187.14738	10.2
189.11580	10.4
231.74695	8.3
232.62320	8.5
241.19490	23.6
259.20572	73.3
275.20004	12.7
306.05536	11.2
569.41925	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68412	13.5
53.03934	15.9
55.05512	73.8
62.72517	13.5
67.05505	100.0
69.07064	42.1
69.84679	85.3
76.36781	13.0
78.86430	12.0
79.05523	59.7
79.05908	10.9
81.07047	83.6
83.04984	16.3
83.08617	33.5
91.05467	63.4
93.07050	88.9
95.04958	26.3
95.08616	62.4
97.06516	18.0
97.10157	56.0
97.48593	11.3
105.07018	74.4
107.08595	52.4
109.06523	12.4
109.10143	26.4
109.46941	11.9
117.07005	44.7
119.08558	50.7
121.10120	35.7
125.09639	14.9
129.06969	19.2
131.08545	59.9
133.10121	39.3
135.11674	16.8
143.08556	28.5
145.10121	67.0
157.10147	25.9
159.11722	43.5
169.10144	15.6
171.11699	28.4
172.06990	11.8
173.13263	26.2
183.11731	20.8
185.13374	19.7
189.11203	29.3
197.13287	17.6
199.14923	18.8
257.19318	19.4
273.18384	12.9
274.19284	12.4
275.20068	42.5
277.21573	55.9
345.35553	12.4
383.29480	23.1
426.61325	11.5
533.39691	19.7
551.40656	69.5
569.42175	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01868	6.5
55.05517	21.4
64.16142	2.4
67.05503	30.8
69.03437	4.2
69.07066	36.8
70.11506	10.3
71.05000	4.7
79.05492	43.6
81.03403	2.5
81.07056	46.5
83.04988	6.0
83.08640	5.1
91.05479	38.1
93.07044	56.1
95.04950	18.3
95.08601	27.8
97.06542	7.9
97.10177	8.6
105.07034	38.4
107.04945	18.4
107.08611	21.6
109.06529	3.2
109.10162	6.6
111.11765	3.4
117.07019	8.5
119.08578	31.6
121.10148	33.2
121.85719	2.2
123.11752	2.6
129.07018	5.2
131.08563	15.2
133.10150	28.2
135.08066	14.4
135.11696	7.5
139.11147	12.6
143.08600	5.5
145.10068	13.9
147.11699	19.5
149.09650	4.5
149.13335	4.1
157.10124	6.8
159.11664	12.6
161.09657	2.7
161.13264	7.8
163.11188	2.9
171.11687	5.2
173.13242	6.0
185.13298	3.5
197.13324	2.7
203.12863	9.0
207.13707	3.3
211.14925	3.0
237.14815	5.4
241.19255	2.5
257.18924	6.4
259.20593	5.3
275.20062	100.0
276.20706	6.2
277.21503	11.8
293.21216	17.2
367.30136	3.3
369.27823	5.9
385.14249	2.8
551.41339	4.8
569.41882	6.2
569.56750	2.9
575.71362	2.7
596.58185	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03947	3.0
55.01865	1.9
55.05308	1.5
55.05515	16.2
57.03437	1.9
57.07071	1.6
59.57851	1.3
64.54444	1.2
65.03927	3.5
67.05505	58.3
69.07067	15.0
69.92995	4.1
69.93405	3.8
71.04986	5.0
79.05491	31.8
81.03418	2.3
81.07054	39.5
83.04983	3.6
83.08624	7.4
85.06544	3.1
91.05476	56.0
93.07041	45.0
95.04953	9.2
95.08611	36.7
97.06523	1.4
97.10162	3.4
99.08110	3.7
100.98738	1.3
103.05469	1.4
105.07028	63.5
107.04968	3.7
107.08588	21.5
109.06495	3.2
109.10152	19.7
111.08078	1.7
115.05466	1.7
117.07018	15.4
119.08578	62.6
121.06476	2.8
121.10143	24.5
123.08053	3.5
123.11686	2.2
125.09641	2.4
128.06274	2.0
129.06999	10.2
130.07802	1.3
131.08569	25.4
133.10130	49.0
135.08020	4.7
135.11682	18.0
137.09595	10.5
137.13231	1.3
139.11139	6.9
142.07806	1.7
143.08571	12.6
145.10115	21.2
147.08067	1.5
147.11684	61.8
149.09613	3.5
149.13258	9.9
151.11180	2.2
155.08577	2.2
156.09315	1.3
157.10098	10.8
159.11685	21.6
161.13258	33.9
163.11183	3.1
163.14801	3.4
169.10147	2.4
171.11703	15.3
173.11768	4.3
173.13274	13.5
175.14841	12.0
177.12801	1.7
183.11696	4.6
183.62682	1.4
185.13269	11.2
187.14821	4.9
189.12704	1.5
197.13277	2.3
199.14824	7.4
201.16360	2.8
203.12791	4.2
213.16370	3.2
215.17944	2.5
231.21037	12.4
237.14671	1.8
239.18042	1.7
241.19511	30.0
257.19034	4.7
259.20572	100.0
261.22177	1.9
275.20114	17.9
277.21677	4.7
293.21124	8.6
353.28586	1.5
414.15021	1.5
515.38617	1.9
533.39667	3.2
551.40894	8.9
569.41998	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
59.02155	0.4
64.72964	0.4
66.40090	0.4
67.05475	0.4
69.07088	0.5
70.47034	1.4
71.00084	0.4
81.07043	0.8
85.02900	0.7
91.05489	0.7
95.04965	0.4
95.08605	0.6
97.06522	0.4
98.21464	0.6
105.07037	0.5
107.08582	0.4
114.67918	0.4
117.07010	0.5
119.08618	0.6
163.07591	0.6
185.04231	0.8
189.08994	0.5
259.07986	0.7
277.08838	3.0
331.10074	0.9
407.24225	1.5
445.20499	0.6
483.22430	0.5
497.23560	1.4
511.24930	1.0
553.95734	0.5
569.29291	100.0
570.29834	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05506	8.9
57.03441	8.8
57.07076	32.7
63.23706	1.2
63.26948	1.2
67.05500	24.6
69.07071	9.5
69.91215	6.9
71.08632	21.2
79.05483	11.2
81.03419	6.4
81.07056	24.3
83.04983	1.2
83.08621	9.3
85.10177	11.8
87.62749	1.1
91.05476	7.9
93.07059	10.7
95.04975	2.4
95.08609	25.5
97.10175	7.2
98.98466	82.2
99.04491	2.1
99.34748	1.1
100.06673	1.1
105.07024	5.7
107.08594	4.8
109.02875	5.2
109.10159	10.4
116.99509	4.2
117.07023	2.1
117.24594	1.2
119.08583	4.8
121.10136	3.7
123.11713	5.4
131.08594	3.1
133.10101	4.1
135.11691	2.2
137.13225	3.1
140.01045	1.1
143.08656	1.8
145.10124	3.9
147.11693	2.1
153.89931	1.2
155.01041	100.0
159.11664	1.8
169.10146	1.9
173.02245	1.2
173.13274	2.4
188.43663	1.1
229.66454	1.1
243.02509	2.1
253.25310	8.3
276.20218	1.9
290.31570	1.5
317.06345	5.8
327.28918	63.0
397.29147	1.4
407.25522	3.3
415.30557	4.7
492.02618	1.4
569.41980	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39000	0.4
70.77965	0.9
70.78321	0.6
73.24077	0.4
74.50470	0.4
78.70152	0.4
82.07285	0.4
83.76476	0.4
85.02890	0.8
86.09708	0.5
88.19910	0.4
88.77897	0.4
91.05480	0.7
93.07043	0.7
95.01099	0.4
97.06536	0.4
105.07053	0.7
107.08601	0.6
109.06520	0.4
109.10147	0.6
119.08598	0.4
123.04224	0.5
128.06244	0.9
143.08582	1.7
149.05927	0.5
161.05972	0.7
171.08122	1.7
173.09518	0.4
184.07405	1.8
185.04184	0.5
185.09685	0.6
197.55409	0.5
201.09216	0.5
203.05333	0.7
203.10655	21.2
204.11096	0.7
221.11797	0.7
229.12296	1.9
244.28757	0.4
259.07910	1.2
275.07458	1.1
276.13934	0.4
277.08942	3.5
331.10117	0.7
338.45547	0.5
363.16071	0.5
381.91052	0.4
407.23996	1.1
431.18997	0.9
445.20285	0.6
457.20523	0.5
471.21884	1.2
569.29285	100.0
570.29749	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25686	0.3
67.05491	0.3
69.07049	0.3
71.47073	0.5
79.05472	0.4
81.03424	0.4
81.07034	0.3
91.05465	0.6
91.31706	0.2
95.08607	0.4
105.07042	0.5
109.10143	0.3
117.07038	0.3
123.04420	0.4
128.06265	0.6
133.06482	0.3
143.08580	1.1
149.05978	0.9
152.68669	0.3
159.08101	0.4
161.06082	0.3
161.13460	0.3
163.07637	0.3
171.08025	2.4
173.05913	0.3
175.07672	0.3
185.04185	0.4
185.09668	0.5
190.94077	0.2
197.09468	0.3
203.05284	1.0
203.10646	7.1
211.07607	0.3
217.05251	0.3
229.12321	0.9
241.12251	0.4
259.07932	1.0
260.06213	0.3
279.06677	0.2
321.11368	0.5
321.16681	0.8
333.20270	0.4
337.14307	0.3
363.15823	0.5
405.16946	0.4
405.40247	0.3
407.24219	1.2
419.05386	0.3
429.17389	0.3
441.15576	0.4
481.24020	0.8
483.22012	9.4
484.22723	0.4
551.19019	0.4
569.29260	100.0
570.29669	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.4
57.03431	0.7
65.43557	0.6
67.05490	3.4
69.07067	1.5
71.04976	0.5
71.15806	1.3
78.40588	0.6
79.05489	2.9
80.05827	0.7
81.07061	3.6
82.07388	1.1
83.08627	2.0
91.05467	2.1
93.07045	2.6
94.07366	1.0
95.08620	2.1
97.10141	1.4
103.28144	0.7
104.49110	0.6
105.07026	1.8
107.04970	1.6
107.08595	1.3
109.10142	1.0
111.86015	0.6
117.07031	0.9
119.08556	1.3
121.10133	0.8
125.09609	0.9
129.07033	1.1
131.08604	0.8
133.10118	0.9
143.08536	1.2
145.10091	1.3
155.08528	1.3
157.10175	0.8
159.11758	0.6
168.08980	0.8
169.10043	1.2
170.10339	0.7
171.11679	0.8
184.12109	0.9
195.11803	0.9
197.13289	0.6
198.13770	0.8
224.47876	0.6
288.29846	0.8
345.85388	0.6
370.11496	0.6
382.87918	0.6
407.23932	0.9
457.20389	1.2
471.21964	2.7
473.49139	0.7
551.40332	1.6
568.40552	0.8
569.29248	100.0
570.29858	1.7
595.74304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.8
67.32433	0.5
69.29348	2.4
69.29771	3.7
81.07042	0.9
85.95280	0.6
88.01186	0.6
95.08603	0.9
114.01826	0.6
163.07678	0.8
185.04231	0.9
320.17664	0.8
331.09964	2.1
407.23999	1.0
441.20917	0.9
471.22369	0.9
483.22430	0.8
496.46704	0.7
510.18076	0.7
569.29285	100.0
570.29468	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91591	3.2
55.05503	14.8
57.07068	7.3
67.05510	16.4
69.07063	16.5
70.86795	8.1
79.05503	18.4
80.06245	4.1
81.07060	34.8
83.08587	4.4
85.06546	4.2
91.05474	46.5
93.07040	51.8
95.04967	40.6
95.08588	26.2
97.06490	3.9
105.07025	86.2
106.07818	3.8
107.08592	40.8
108.52559	4.0
109.10162	13.7
117.07037	32.0
118.07854	5.9
119.08584	100.0
120.09360	10.4
121.10130	33.2
123.08061	18.4
123.11677	5.8
128.06210	7.9
129.07028	16.5
130.07777	9.0
131.08560	47.9
132.09343	11.4
133.10147	54.6
134.10887	6.5
135.08076	5.8
135.11693	14.2
137.09624	6.8
138.10472	4.7
141.07033	4.3
142.07816	15.0
143.08572	41.4
144.09334	10.8
145.10120	89.6
146.10863	3.7
147.11658	23.8
148.12402	3.6
149.09642	6.3
149.13278	4.2
155.08583	17.0
156.09335	18.0
157.10138	48.7
158.10921	11.8
159.11699	37.2
161.09648	6.6
161.13263	8.4
163.14780	4.4
165.07072	4.4
167.08591	5.5
168.09421	9.4
169.10143	28.5
170.10912	10.7
171.11679	34.6
172.12526	7.6
173.09753	3.8
173.13274	29.8
175.14850	15.9
177.12766	3.8
179.08527	9.0
181.10133	19.7
182.10939	10.5
183.11659	28.3
184.12488	4.9
185.13260	24.0
186.14072	8.7
187.14825	10.7
188.35979	3.9
191.14259	9.3
192.14992	5.4
193.10136	7.4
194.10939	9.0
195.11707	13.9
196.12433	11.7
197.13281	29.0
199.14812	9.1
206.11035	4.1
207.11702	12.5
208.12502	3.7
209.13293	23.9
211.14842	22.9
213.16309	7.4
217.15941	5.5
219.11494	3.8
221.13255	7.5
222.13910	4.2
223.14832	11.1
225.16508	5.8
235.14813	7.2
237.16444	11.3
239.18088	7.3
259.20419	3.4
261.16516	5.2
275.17978	5.1
297.22406	3.9
323.23666	9.3
338.25909	34.0
349.25143	3.8
430.32382	12.9
476.36624	10.8
568.42609	20.6
568.56506	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27996	2.2
54.76143	2.2
55.05507	4.2
55.83039	1.9
56.80828	1.7
61.02902	2.2
61.80005	1.6
69.03425	12.8
69.07066	13.7
69.83051	10.8
70.06575	2.2
76.58189	1.8
79.05508	2.3
81.07063	4.2
85.02887	6.0
91.05470	9.1
93.07036	3.3
95.08604	4.1
95.48437	1.9
97.02905	4.1
97.60494	2.2
105.07026	12.5
107.08595	7.6
117.07030	2.4
119.07797	3.7
119.08585	48.4
121.10150	3.5
123.08049	2.3
123.11607	1.9
125.09631	3.6
129.07060	3.5
131.08585	12.6
133.10121	37.2
135.08075	2.9
135.79433	1.8
143.08563	7.8
144.09372	2.2
145.10126	8.4
147.11688	7.5
158.10892	8.3
160.12482	2.2
163.03934	4.0
173.13269	47.8
175.14819	100.0
191.14320	25.7
209.15396	13.3
460.17230	2.2
461.86282	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37410	4.2
53.03934	5.2
55.05519	17.0
57.03432	7.4
61.02924	11.0
64.94126	5.0
67.05511	17.3
69.03423	30.7
69.07054	22.9
70.06596	9.0
70.52292	18.2
71.05002	7.7
79.05508	16.1
81.03435	13.4
81.07072	27.3
83.04998	20.6
83.08625	10.7
83.35645	4.7
85.02896	40.0
85.06552	5.0
87.04479	10.0
91.05499	19.1
93.07043	29.8
95.04980	35.2
95.08618	17.1
97.02884	12.9
97.06533	16.2
98.06044	10.9
99.04464	9.6
104.07107	11.9
105.07012	37.1
106.76482	4.7
107.04981	10.3
107.08578	42.1
109.02921	7.5
109.06509	32.4
109.10170	36.9
111.08078	7.0
117.07024	14.3
119.04938	4.6
119.08582	67.7
121.10133	30.8
123.08047	8.6
123.11755	12.0
125.09650	14.4
127.03925	6.5
129.06985	5.9
131.08569	39.6
133.10127	98.8
135.08072	12.5
135.10831	4.8
135.11731	21.9
137.06035	5.7
138.38902	5.1
139.11220	8.0
143.08632	6.0
145.05026	10.4
145.10170	18.4
147.11690	22.5
149.09665	9.1
149.13303	16.2
151.11171	7.0
153.09154	16.3
158.10962	10.4
161.13261	5.6
163.03966	7.2
167.07051	11.5
167.14320	5.9
173.13266	100.0
175.14819	86.8
191.14305	87.3
209.15332	80.4
215.32259	4.9
227.16389	35.2
244.07312	5.8
249.65633	5.1
388.23447	14.1
550.28796	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.1
57.07070	5.9
60.86892	3.7
67.05504	40.8
69.07059	10.8
69.29885	41.5
72.94148	3.2
79.05472	18.8
80.32816	3.1
81.07051	33.2
82.02788	3.5
83.05004	5.1
83.08621	11.9
91.05473	38.3
93.07038	29.4
94.84373	4.2
95.04963	11.9
95.08606	27.2
96.20409	3.8
97.10151	6.6
103.05440	4.8
105.07028	42.3
107.08589	18.5
109.10137	20.7
115.05522	5.6
117.07008	21.6
119.08569	33.4
120.08916	6.2
121.10153	15.1
123.08074	5.4
125.09622	5.3
128.06239	7.3
129.07019	11.7
131.08559	44.0
133.10106	28.4
135.08022	4.0
135.11746	4.6
137.09641	5.9
143.08543	19.8
144.09169	4.3
145.10121	100.0
146.10518	4.1
147.11684	12.2
155.08556	12.8
156.09302	6.1
157.10112	16.4
158.93880	3.6
159.11720	27.0
161.09647	4.7
163.11311	5.9
169.10115	16.0
170.10643	4.1
171.11656	18.2
173.11792	4.3
173.13242	10.9
174.13857	3.5
181.10237	5.2
183.11722	17.0
185.13344	5.4
193.10193	5.8
195.11720	5.4
197.13202	7.4
199.14891	5.3
205.09790	3.9
210.13879	4.8
222.15746	4.6
228.41159	3.6
239.17960	18.0
257.18964	50.0
267.22736	4.0
275.19879	9.4
291.19641	4.0
549.39532	4.8
567.40765	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01871	5.2
55.05507	40.6
57.03436	4.3
57.07069	4.0
59.60166	3.6
65.03920	5.1
67.05502	71.4
69.07062	39.3
69.37971	11.4
69.38387	26.8
72.59259	4.0
79.05494	55.8
81.07056	60.7
83.04972	13.0
83.08609	13.3
85.06496	7.1
85.13290	3.7
89.09843	4.3
91.05476	60.8
92.05789	4.5
93.07043	71.6
93.87608	4.2
95.04968	14.0
95.08594	54.2
97.06522	12.3
97.10174	13.8
98.20786	7.7
105.07027	77.4
106.07339	4.4
107.04962	20.0
107.08588	40.5
109.06527	5.2
109.10147	24.6
117.07018	33.6
119.08579	57.7
121.10146	43.1
123.08054	4.7
123.11697	4.1
125.09611	7.1
128.06241	8.7
129.07010	19.2
130.07802	4.1
131.08559	64.2
133.06491	5.3
133.10127	40.7
135.08089	13.4
135.11688	9.0
137.09599	4.2
139.11180	13.5
141.06987	6.7
143.08546	23.7
145.10118	100.0
146.10925	9.0
147.08060	7.4
147.11705	27.4
149.09592	11.7
155.08539	11.4
156.09302	4.4
157.10107	23.5
159.08167	4.9
159.11711	52.1
161.09668	5.9
161.13228	6.0
163.11163	6.0
169.10132	19.8
171.10440	3.9
171.11670	23.2
173.13217	22.3
175.14835	4.1
179.08507	5.4
181.10143	8.1
183.11723	17.8
185.13272	8.0
187.14862	7.9
193.10146	4.9
195.11748	5.7
197.13278	13.5
199.14841	5.7
203.12733	8.1
207.11678	5.0
209.13234	6.7
211.14761	6.5
213.16338	5.7
214.82259	3.7
221.13181	5.0
221.15271	4.7
223.14896	4.4
229.19588	9.4
239.17863	19.8
243.05489	3.8
249.16057	3.6
255.17404	4.2
257.18964	59.5
273.18570	22.0
274.19247	15.2
275.20108	58.5
283.64359	3.7
293.21182	8.2
349.25684	4.5
406.20102	4.2
418.22345	4.1
427.80267	4.0
531.38275	12.6
549.39606	21.9
567.40698	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01860	12.7
55.05513	37.2
65.03918	3.8
67.05501	72.4
69.03418	3.7
69.07064	29.1
70.76756	5.6
70.77109	9.4
71.04978	4.9
72.87426	2.8
79.05492	51.8
81.03425	4.1
81.07049	58.7
81.07520	4.5
83.05000	5.6
83.08617	17.4
85.06566	4.7
91.05478	61.7
93.07041	54.5
95.04977	14.0
95.08045	5.5
95.08599	47.8
97.06523	7.9
97.10159	20.1
105.07024	61.2
107.04959	10.6
107.08583	36.5
109.06525	9.7
109.10168	30.4
115.05452	3.3
116.06241	3.5
117.07011	26.6
119.08588	46.4
119.09380	5.2
121.06541	4.9
121.10157	16.7
123.08097	4.7
123.11713	4.4
125.09639	12.5
128.06241	6.6
129.07004	27.7
130.07797	3.1
131.08559	52.2
133.06480	4.2
133.10133	40.0
135.08089	6.8
135.11711	7.3
137.09604	5.3
141.06975	10.4
142.07773	3.9
143.08563	27.8
145.06464	4.5
145.10118	64.3
147.07965	5.5
147.11688	15.9
149.09627	4.0
149.13274	4.8
154.07718	3.4
155.08546	20.1
157.10114	20.7
159.08040	5.5
159.11723	27.7
161.09608	7.3
161.13258	5.3
163.11143	4.4
166.07603	4.0
167.08574	8.9
169.10101	22.9
171.11659	15.1
173.13268	11.8
177.12686	3.3
181.10124	8.0
182.10970	3.8
183.11707	20.7
185.09590	4.0
185.13222	11.6
189.11223	8.2
193.10234	3.9
195.08032	3.4
195.11713	8.3
197.13316	16.8
198.46962	3.0
199.14803	5.7
209.13264	5.7
211.14917	5.9
221.13277	4.4
223.14931	7.7
223.17012	3.2
225.16391	6.3
226.50273	3.0
227.17973	5.0
229.19478	3.5
235.14842	5.1
237.16478	5.2
239.17979	13.7
243.17618	3.0
257.18967	31.3
263.20062	5.4
269.19135	4.0
273.18552	7.0
275.20099	34.1
313.21661	5.9
381.27911	11.2
513.36761	3.6
531.38123	12.2
549.39288	29.9
567.40497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01870	11.8
55.05507	43.7
57.03452	3.0
57.07068	2.4
57.33036	1.3
65.03927	4.3
67.05502	55.6
69.03415	4.7
69.07066	34.8
71.04981	4.6
71.58038	2.8
71.58710	1.5
79.05486	47.3
81.03409	3.8
81.07053	56.8
83.04966	6.7
83.08611	19.8
85.02917	1.8
85.06538	4.8
87.69565	1.6
91.05476	42.0
93.07037	38.1
95.04951	10.7
95.08599	40.2
97.06523	11.8
97.10168	25.3
103.05446	1.9
105.07029	53.4
107.04956	9.1
107.08588	30.8
109.06496	8.0
109.10160	16.5
111.08102	4.7
115.05436	2.5
117.07000	22.6
117.16511	1.6
119.04962	2.2
119.08573	34.8
121.06504	3.4
121.10126	16.5
123.08053	3.6
123.11665	5.2
125.09619	18.2
128.06230	6.6
129.07004	21.0
131.08559	27.7
133.06519	1.9
133.10127	30.4
135.08046	6.3
135.11673	7.8
137.09641	3.0
139.11206	2.4
141.06975	12.1
142.07753	6.1
143.08554	23.5
145.06487	3.3
145.10121	37.6
147.08017	3.1
147.11697	15.7
149.09630	5.0
149.13229	2.9
151.07478	1.5
151.11195	2.3
153.07042	3.2
153.09096	2.0
154.07756	3.4
155.08553	19.3
156.09332	2.6
157.06482	2.8
157.10123	15.7
159.08054	3.2
159.11674	16.5
161.09653	3.6
161.13213	7.3
163.11156	3.8
165.07034	3.1
166.07750	3.0
167.08525	9.9
168.09302	3.6
169.06424	2.0
169.10104	23.2
171.08066	2.2
171.11658	18.5
173.09680	3.5
173.13248	13.1
175.11180	3.8
175.14845	2.9
177.12761	2.9
179.08548	4.1
181.10085	10.1
182.10939	4.1
183.08081	2.1
183.11671	25.2
185.09677	2.1
185.13210	11.9
187.11212	2.1
187.14819	3.6
189.11230	7.1
193.10143	5.6
194.10893	2.3
195.11739	10.3
195.13332	2.3
197.09601	2.5
197.13249	14.2
199.11188	3.7
199.14818	6.4
201.12758	2.0
201.16437	1.9
205.10240	2.4
206.10901	2.0
207.11743	5.4
209.13239	9.7
209.15091	1.7
211.14870	8.6
212.12234	1.7
213.16473	3.6
221.13264	6.6
221.15323	1.8
223.13037	1.9
223.14871	6.5
225.12817	3.5
225.16478	4.7
227.14287	2.3
227.17935	2.0
229.16048	1.7
229.19635	1.7
233.13243	2.4
235.14853	2.1
237.16501	3.4
239.17946	7.4
247.14824	2.3
249.16373	2.6
251.18005	3.1
253.16019	2.0
253.19476	3.2
255.17461	1.9
257.18970	15.0
263.17813	1.7
267.17426	1.7
268.82230	1.6
271.16815	1.7
273.18512	2.7
275.17294	3.5
275.20074	43.6
277.19299	1.9
281.19125	1.9
285.18661	2.0
287.19818	2.1
291.19604	2.2
297.18585	2.2
299.20172	2.1
301.17966	1.7
311.20187	2.7
313.21573	2.9
325.21680	2.8
327.23267	4.2
337.21539	2.7
337.25427	1.6
339.23071	3.2
341.24637	1.8
353.24698	2.3
363.26932	4.2
366.66986	1.6
367.26459	2.2
369.24182	2.2
379.30139	3.7
381.27866	28.1
395.29382	5.2
397.31052	2.0
407.29404	2.3
423.29166	1.9
455.31650	12.4
479.31277	2.0
497.32443	4.1
498.33081	2.2
511.09155	1.8
513.37402	6.3
531.38214	14.5
549.39368	30.6
560.50073	1.6
567.32343	5.7
567.40430	100.0
568.40137	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.0
52.08193	2.6
53.03941	7.4
55.01868	11.5
55.05506	55.2
56.35516	2.4
57.03438	3.0
57.07066	2.7
59.05006	2.3
63.48239	2.5
65.03924	3.0
65.53213	2.4
67.05503	59.2
69.03423	5.8
69.07066	34.9
71.04994	4.4
71.58240	3.5
71.58932	3.0
78.15520	2.4
79.05486	46.3
79.05917	4.7
81.03422	6.0
81.07053	56.8
83.04997	6.1
83.08617	24.4
85.06548	4.5
91.05477	44.7
93.07037	39.4
95.04968	13.5
95.08604	45.7
97.06542	12.0
97.10163	33.0
105.07027	50.8
107.04962	8.0
107.08582	30.0
109.06516	11.4
109.10162	17.7
111.08078	4.8
115.05493	4.0
115.39135	2.5
117.07014	20.9
119.08566	32.4
121.06537	3.4
121.10138	12.2
123.08042	3.7
123.11760	3.1
125.09630	23.7
128.06258	6.8
129.06992	20.4
130.07822	2.5
131.08588	25.7
133.10127	31.5
135.08058	5.9
135.11711	9.6
141.06985	14.6
142.07794	6.9
143.08549	25.5
145.06509	4.9
145.10127	31.9
147.08025	4.0
147.11685	16.6
149.09642	3.5
149.13356	4.1
153.07039	3.7
155.08522	25.8
156.09381	4.4
157.10100	20.8
159.11726	10.7
161.13300	4.3
165.06989	3.8
167.08536	17.3
169.10138	27.7
171.10339	4.0
171.11607	14.3
173.09573	3.5
173.13269	8.9
179.08549	5.2
181.10146	14.6
183.11687	23.3
185.13246	11.1
187.14801	4.8
189.11238	13.3
193.10130	7.4
195.11757	12.4
197.13264	19.6
199.11116	3.4
199.14781	4.8
203.12859	3.2
209.13161	12.0
211.14888	11.6
213.16383	6.2
217.97687	2.7
221.13356	6.5
223.14847	7.9
225.12909	3.0
225.16492	4.9
235.14790	5.6
237.16499	4.8
239.17894	8.4
253.19627	6.0
257.19116	4.3
263.20337	3.6
273.18619	4.5
275.20047	39.0
281.18909	3.9
287.16846	2.8
291.19550	4.5
313.21634	4.9
325.21786	2.8
327.23260	3.1
355.22888	4.5
363.26871	4.9
379.30148	6.9
381.27933	28.6
395.29413	3.1
419.29767	5.7
455.31622	11.1
497.32855	3.5
513.37183	9.1
531.38428	17.9
549.39404	27.3
567.26514	4.2
567.40399	100.0
573.42877	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.4
53.48819	4.6
55.01875	10.1
55.05516	30.8
55.27176	4.9
57.03433	12.1
60.87788	4.9
63.70687	5.3
67.05509	46.6
68.99768	5.2
69.03419	24.4
69.07063	32.6
71.04994	10.0
71.58306	8.4
71.58685	7.4
76.49479	5.3
79.05494	27.7
81.03411	37.5
81.07053	100.0
83.08612	23.0
83.26743	5.1
85.02916	41.8
85.06539	8.3
86.09653	5.9
87.00854	9.3
91.05469	15.9
93.07039	39.5
95.04967	12.8
95.08604	89.2
97.02898	16.5
97.06516	11.3
97.10160	26.7
98.98463	37.3
99.04434	10.9
100.11268	32.2
103.05468	5.9
105.01852	6.9
105.07038	16.8
107.04922	7.2
107.08569	32.0
109.02864	33.3
109.06546	6.4
109.10155	57.0
111.08122	6.9
111.11699	9.1
112.33365	6.0
119.08640	12.8
121.06412	6.8
121.10148	28.6
123.04414	8.5
123.08062	5.8
123.11666	11.8
123.33206	5.3
127.03913	18.9
131.05841	5.4
131.08539	9.9
135.08035	7.1
135.11716	27.6
137.05965	20.3
137.13239	15.0
145.04990	7.0
145.06482	8.3
145.10089	11.3
147.04445	6.0
147.11671	7.7
149.05927	13.2
149.13260	16.1
151.07506	8.7
151.14810	8.9
157.10222	6.4
159.11653	12.4
161.05978	11.3
161.09624	8.2
163.03922	6.2
163.07550	35.2
163.14810	11.6
164.07935	17.4
165.16403	5.7
167.07080	10.5
170.07098	5.3
173.05840	5.5
177.05577	5.3
177.16473	6.0
181.08569	31.0
182.08966	19.9
182.15395	33.6
184.07317	6.2
189.09023	13.7
191.17941	6.0
207.06488	5.5
210.14935	33.4
247.24213	47.8
261.03674	23.6
265.25247	36.6
283.20529	7.3
283.26297	41.9
299.12741	8.9
300.13153	10.5
455.13065	5.3
465.26715	5.4
567.27734	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.1
55.05516	26.8
57.03437	11.4
57.07073	7.1
67.05503	51.3
68.99782	5.7
69.03415	24.5
69.07059	45.5
71.04979	11.7
71.57985	8.1
74.53059	4.2
74.70865	5.0
79.05460	22.6
81.03420	33.6
81.07053	100.0
83.04981	6.3
83.08624	26.9
85.02889	36.7
85.06541	14.4
85.24090	4.0
87.00835	11.0
89.34541	4.2
91.05473	20.0
92.18300	4.2
93.07021	33.3
95.04977	19.6
95.08603	82.4
97.02882	11.8
97.06567	6.3
97.10143	17.2
98.98454	31.5
99.04427	7.2
100.11250	23.3
105.01800	5.0
105.07011	32.2
107.04942	9.4
107.08575	32.7
109.02887	36.8
109.06532	10.4
109.10140	42.2
111.04472	10.2
111.11721	6.5
119.08553	12.9
121.10101	23.8
123.04436	5.3
123.11707	14.0
125.09599	6.3
127.03925	30.9
128.07170	4.7
129.06961	5.7
131.04964	4.4
131.08563	7.9
133.06616	4.4
133.10127	10.9
135.04440	7.1
135.08034	7.8
135.11676	30.0
137.05992	14.8
137.09593	5.7
137.13246	10.0
143.08560	8.7
145.06517	4.8
145.10060	9.9
147.04433	12.7
147.11705	8.8
149.06012	13.7
149.13213	16.9
151.07542	8.6
151.14874	9.4
159.08046	6.4
161.05956	11.2
163.03899	11.8
163.06201	6.1
163.07536	62.1
163.14732	6.6
164.07884	31.0
165.05411	5.2
165.07980	9.6
165.16292	4.9
167.07028	10.9
175.14726	4.8
177.05476	6.2
177.16386	7.3
179.03358	6.8
181.08589	42.1
182.08934	24.6
182.15353	25.3
183.09201	11.2
189.09088	6.7
190.09566	6.2
191.18076	6.4
203.06989	6.4
210.14914	26.5
234.89629	4.5
247.24173	39.7
260.89395	4.6
261.03745	15.4
265.25293	50.1
269.08047	5.4
283.26297	37.7
296.08377	4.6
299.12714	12.6
300.13013	8.5
301.13443	12.5
317.13730	6.1
326.28003	6.0
512.67444	5.5
549.18604	10.5
567.28156	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.36890	0.4
53.94322	0.4
55.01859	0.7
55.05494	0.5
56.05027	0.9
58.06596	3.2
61.03268	0.4
65.03909	0.4
67.05495	1.7
69.03427	1.5
69.07066	9.5
69.47044	3.6
70.06591	2.8
71.04971	0.8
71.07369	3.8
72.08136	1.5
74.02441	1.0
79.05482	1.4
81.03411	1.0
81.07050	1.6
83.04980	0.6
84.08128	1.0
85.02911	1.4
86.09697	0.9
91.05453	2.2
93.07040	1.2
95.04955	1.8
95.08598	1.5
97.02898	0.9
97.06551	1.0
98.03895	0.5
98.20716	1.0
100.11250	100.0
101.11622	0.4
103.05459	2.5
105.07019	2.0
107.04948	1.0
107.08604	1.1
108.04440	0.5
109.02887	1.2
109.06507	1.0
109.10145	1.5
111.04441	0.6
119.04967	1.0
119.08549	0.9
120.08099	31.6
121.06531	0.8
121.10123	0.9
123.04455	0.5
125.05959	0.7
127.03898	1.0
130.08684	0.9
131.08598	0.5
133.10056	0.7
135.08012	0.4
135.11719	0.8
136.07588	1.0
137.05984	2.1
145.10121	1.3
147.04424	1.2
149.05983	0.5
153.05470	1.5
159.08037	0.8
160.07607	0.6
161.05988	0.7
161.09607	0.4
163.03922	0.7
163.07535	0.7
163.11223	0.5
165.05495	1.1
167.07037	3.9
168.17465	1.2
175.07489	1.0
175.08871	0.5
179.03447	0.9
179.06970	0.5
181.04994	0.6
184.07372	0.6
187.07588	0.8
187.11293	0.8
189.05443	0.6
189.09065	1.0
191.07054	0.7
191.10625	0.5
193.15739	0.4
193.76395	0.5
197.39105	0.5
199.07597	0.4
202.12294	2.4
207.06474	0.6
208.13359	0.5
221.09575	0.6
231.10172	1.2
241.09766	0.5
248.12863	2.3
265.15637	0.7
275.13892	0.9
276.07596	0.7
283.09793	0.6
302.04111	0.5
303.04834	0.9
304.05084	0.5
305.05396	0.8
315.12619	0.4
318.06995	0.6
319.07007	0.6
321.14490	1.5
329.14905	0.8
339.12314	1.5
341.13715	0.6
351.12396	1.2
373.13815	0.8
389.20670	1.1
395.19708	1.7
422.20834	0.7
440.21875	1.2
468.21262	35.4
536.27551	5.6
539.32416	0.9
567.31757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
56.03068	0.5
56.96547	0.6
66.40004	0.5
67.05492	2.4
70.23973	0.5
70.24330	2.6
79.05477	1.2
81.07052	1.5
91.05480	2.2
93.07020	0.9
95.04969	0.7
95.08611	0.7
97.06528	0.8
98.20763	0.7
105.07032	0.6
107.08610	1.1
109.10168	1.2
119.04970	0.9
121.10177	0.7
133.10178	0.7
149.06009	2.0
151.07535	0.9
158.58261	0.5
159.11797	0.6
163.07552	0.6
171.08046	1.4
177.09108	0.7
185.04254	1.8
189.09196	0.8
203.10654	2.7
259.07974	0.7
281.14905	0.7
331.09949	5.2
373.14951	1.0
387.16382	0.9
387.21405	1.0
405.22354	2.3
413.17810	1.0
455.18900	1.4
469.20374	8.2
479.81085	0.5
498.20636	1.3
531.81995	0.7
549.26715	36.8
550.26910	1.4
567.27716	100.0
568.28094	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2778
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05515	0.8
55.25853	0.8
57.72208	0.7
67.05497	1.6
75.94525	0.7
78.05096	0.8
79.05496	1.2
81.07071	0.9
91.05492	1.7
98.21540	1.4
105.07014	0.7
109.10165	0.9
143.08560	1.0
149.05965	1.9
203.10724	3.1
331.09958	5.8
331.17560	0.9
345.11377	1.3
373.14505	1.4
387.21494	1.5
399.97247	0.9
405.22418	1.4
435.72025	0.8
455.19196	1.8
469.20456	9.4
549.26721	33.1
550.27374	1.6
567.27710	100.0
568.28265	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
56.33055	1.3
56.96563	1.8
65.53062	1.3
67.05489	2.5
69.07050	3.3
70.05614	7.6
79.05445	2.5
81.03401	1.5
81.07049	1.8
83.04971	1.9
85.02888	1.7
85.18801	1.5
91.05469	3.2
93.07007	2.0
95.08597	2.1
98.20827	1.6
99.36421	1.4
109.10157	1.8
111.09608	1.5
119.08564	2.3
145.10092	2.8
163.37115	1.4
291.19757	2.1
315.82031	1.6
331.10144	3.6
359.80698	1.8
378.68677	1.6
405.22403	1.9
469.20508	3.1
480.60718	1.5
549.26703	11.6
553.90204	1.4
567.27667	100.0
568.28210	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01871	3.4
69.03422	4.9
70.06586	2.8
71.04971	1.6
71.57856	1.4
75.53947	1.3
79.05485	2.8
81.03401	2.9
81.07082	1.8
85.02911	4.9
86.09710	1.9
91.05486	2.0
95.04977	2.0
97.02879	3.3
99.04449	1.7
102.62445	1.2
109.02877	2.6
109.10191	1.9
119.04978	1.3
120.08084	1.4
121.06520	1.3
127.03889	3.0
133.10170	2.2
137.02325	1.6
137.05975	4.4
145.05081	1.6
147.04500	1.3
161.09523	1.9
167.07001	2.2
169.01431	1.4
171.03036	1.4
194.15431	1.7
197.07129	7.9
199.08684	2.4
208.28572	1.6
211.08730	7.0
225.06560	18.9
225.10274	4.4
226.07074	2.0
227.08228	1.8
227.11861	3.0
239.04532	2.0
239.08127	22.7
241.09828	1.5
243.07657	5.1
245.12877	20.1
253.09729	17.3
255.07709	3.5
255.11192	3.5
257.05542	4.8
257.09186	8.6
266.16260	1.3
267.07590	15.9
269.09293	1.3
271.10785	8.5
273.08856	1.5
273.12247	1.5
275.10190	2.0
281.09183	17.6
283.10657	2.8
285.08676	5.7
286.09454	2.3
287.10034	1.4
289.11801	3.3
293.09290	2.1
295.07104	1.8
297.08807	2.3
299.10242	25.8
301.11868	2.0
303.04922	3.3
309.08661	24.1
311.10278	5.3
317.11221	1.6
319.04486	14.3
327.09732	55.3
329.11264	7.3
337.08112	3.8
339.57892	1.6
345.10791	71.6
355.09113	8.1
364.90530	1.4
373.10278	100.0
374.10962	2.5
387.11606	7.3
405.12894	79.4
406.13220	1.7
425.65469	1.3
567.24957	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
55.01872	3.4
57.03431	5.6
60.04507	3.1
61.02936	3.6
67.05474	2.7
68.99792	3.0
69.03416	15.5
70.06594	6.7
70.56039	3.1
71.05004	3.6
71.57911	5.8
71.58266	3.5
73.02910	5.4
80.62557	3.3
81.03411	10.8
85.02908	42.8
87.04489	3.4
91.05437	3.7
93.07061	2.5
97.02897	16.9
99.04461	4.3
102.52971	3.2
103.03946	12.1
107.04960	4.4
109.02898	7.8
120.76432	3.3
121.02893	3.2
123.04431	8.1
127.03938	16.8
132.98917	2.7
133.02829	6.9
134.03574	3.2
137.02350	4.8
137.05948	5.0
141.07089	2.6
145.04980	7.7
147.04416	10.5
147.08075	3.2
149.02338	4.6
151.07443	2.9
155.08461	2.8
161.05980	2.8
163.03940	4.5
165.05643	3.7
165.07059	7.0
167.07040	9.2
169.06502	3.9
173.05966	3.5
175.03973	3.2
181.04945	6.2
181.06503	3.1
183.08041	7.7
187.07532	3.0
197.06009	19.4
211.07526	13.5
215.07088	26.1
221.06000	11.1
223.07547	3.4
227.06995	3.6
235.07565	6.7
239.07024	42.5
239.09274	4.0
242.05661	17.9
243.06464	74.5
250.06285	4.1
251.07124	3.3
253.05083	6.7
253.08409	3.8
255.06523	48.6
257.08044	14.1
263.07092	7.6
266.05771	3.8
267.06516	100.0
277.08575	3.2
279.06461	14.7
281.08121	7.1
283.05969	4.9
285.07565	50.0
289.06055	3.3
291.06479	14.8
293.08002	3.7
305.08063	7.3
309.07639	27.5
333.07587	8.6
351.08780	13.7
369.09714	11.2
387.10611	6.8
405.11566	15.4
417.11679	8.3
429.11749	3.9
447.12720	5.7
471.13037	4.7
567.17004	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
53.05010	0.2
55.01868	0.8
57.03423	0.2
61.02913	0.2
62.27058	0.2
69.03431	1.1
69.59415	1.1
79.05497	1.5
80.50331	0.2
81.03413	1.0
85.02908	2.7
87.00842	1.0
91.05480	0.6
95.04960	0.4
97.02892	0.8
99.04459	0.2
103.05452	2.1
105.01875	0.4
105.07032	7.3
107.04946	0.7
109.02878	0.7
115.05492	0.4
119.05052	0.2
120.05744	0.3
121.06493	0.2
125.00018	0.2
127.03945	1.1
131.04915	0.9
133.06491	3.1
135.04413	0.5
135.08057	0.7
145.04948	0.3
147.04489	0.2
148.05177	0.5
149.05978	0.4
149.97470	0.2
151.07538	0.3
159.02872	0.6
163.07535	100.0
164.07860	1.2
165.09131	0.4
181.08588	68.8
182.08926	1.0
186.12485	0.2
249.07516	0.4
283.13287	14.6
284.13626	0.3
301.14337	0.6
429.13910	3.3
583.21252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01867	2.4
55.05501	2.0
56.24202	1.3
57.03430	2.0
61.02938	1.8
67.05484	3.6
68.99796	2.3
69.03426	13.0
69.07064	2.3
70.06579	3.1
71.04995	2.1
71.58558	2.1
73.02911	2.0
79.05482	4.6
81.03410	7.9
81.07048	3.8
83.04981	1.6
85.02905	19.1
86.09698	1.6
87.00833	5.9
91.05485	4.0
92.22289	1.3
93.07047	5.4
95.04962	3.7
95.08594	4.2
97.02905	6.6
97.06560	1.6
99.04449	3.6
100.11254	3.9
105.01858	4.3
105.03326	1.3
105.07030	2.8
107.04940	3.6
107.08611	3.2
109.02874	7.9
109.06496	1.9
109.10143	3.5
110.07139	1.3
111.08115	1.2
111.83406	1.2
114.87579	1.3
115.05463	2.4
117.07005	2.4
119.04947	2.9
119.08617	1.5
120.04463	3.6
121.06543	3.4
121.10148	3.1
122.06048	1.5
123.04441	13.5
123.11681	4.0
127.03904	9.4
129.01848	1.4
129.07129	1.2
131.04921	2.9
133.06505	2.5
133.10127	2.2
134.06017	3.8
135.04402	2.3
135.08113	2.2
137.05991	4.0
145.04927	2.3
145.06491	3.0
145.10191	2.5
146.05968	1.6
147.04404	47.3
147.08008	1.5
148.05164	2.1
149.05986	14.9
149.13196	1.3
155.04962	2.5
157.09982	1.2
159.02884	2.9
159.07974	1.3
160.05063	1.5
161.05968	6.5
163.03903	16.0
164.04257	5.4
164.07065	3.0
167.07037	5.0
173.05978	33.9
174.06689	3.3
180.07437	1.3
181.04936	13.4
182.05272	6.1
185.09627	2.0
187.07506	4.9
189.05528	2.3
191.07059	3.4
194.07201	1.9
199.07553	2.2
209.09576	2.3
210.14838	1.3
213.09100	5.9
215.07028	3.6
226.06271	2.1
227.10617	2.8
231.04994	1.8
237.09135	3.7
255.10072	9.6
265.08551	3.9
265.17911	2.4
268.07367	3.5
279.10114	2.0
281.08087	2.9
283.09644	97.5
283.19217	2.3
284.09976	1.5
290.15414	1.4
299.09109	2.2
300.09366	1.6
301.10687	100.0
302.10983	1.7
307.09634	7.8
318.10205	1.6
318.13556	7.3
325.10742	7.7
333.20639	1.9
343.11755	13.6
349.10599	2.4
367.12070	2.6
391.11523	2.4
430.58524	1.3
495.12753	1.9
495.89926	1.4
513.14337	1.7
531.14795	9.2
549.16107	11.7
566.19592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17278	1.8
53.03924	3.3
55.05508	14.3
57.07066	8.5
63.01809	1.9
63.80105	1.7
65.03930	3.7
67.05499	21.7
69.03432	4.4
69.07074	13.4
69.27414	18.6
69.27822	4.6
71.50682	1.8
79.05489	18.1
81.07061	28.1
83.04955	3.8
83.08614	6.9
91.05477	34.7
93.07035	44.6
95.04974	12.2
95.08600	34.2
97.06521	4.0
103.05450	5.0
105.07024	63.6
107.08591	36.2
109.06538	5.2
109.10154	20.2
115.05437	5.4
117.07028	16.4
119.08577	65.6
121.10133	46.8
123.08057	12.5
123.11690	6.8
125.06002	2.9
128.06194	10.1
129.06990	11.9
130.07803	7.8
131.08563	26.5
133.06477	2.2
133.10121	38.8
135.08054	6.3
135.11673	14.2
137.09587	9.8
141.07002	6.7
142.07762	20.5
143.08563	30.8
144.09364	7.4
145.06433	2.2
145.10120	43.3
146.38191	2.2
147.08052	10.5
147.11705	12.1
149.09645	4.3
149.13223	1.9
151.07516	8.0
154.07869	2.4
155.08569	17.6
156.09329	15.4
157.10117	44.9
158.10892	7.4
159.08029	4.7
159.11687	25.7
161.09590	5.0
161.13226	5.2
163.11159	5.3
165.07007	5.2
165.09081	21.5
166.07805	2.2
167.08582	8.2
167.10683	6.2
168.09308	6.3
169.10124	22.4
170.10899	9.7
171.11668	22.4
173.09634	3.4
173.13269	20.8
175.11140	3.5
175.14812	5.7
175.83749	1.8
178.07855	2.2
179.08513	11.4
180.09424	4.3
181.10094	15.7
181.12236	5.5
182.10947	7.2
183.11682	21.1
184.12489	2.6
185.13261	17.6
187.14877	5.3
189.12717	4.8
191.08649	2.9
191.14284	2.5
192.09341	5.2
193.10092	13.8
194.10895	11.1
195.11710	21.5
196.12492	6.9
197.13235	16.7
199.14806	12.0
201.12799	2.6
201.16380	2.5
203.14354	7.8
204.12074	2.0
205.10202	5.5
206.10963	8.8
207.11720	13.2
207.13754	5.1
208.12518	6.7
209.13255	21.9
210.13995	2.8
211.14844	8.3
213.16344	6.0
216.09355	2.3
217.10146	4.7
218.10963	2.9
219.11731	6.1
220.12526	4.4
221.13254	16.9
221.15407	36.9
222.14055	3.4
223.14828	13.0
224.15683	2.5
225.16385	7.1
227.14323	2.7
229.10132	2.4
230.10867	3.1
231.11652	7.5
232.12439	6.1
233.13234	7.8
233.15266	4.0
234.14053	4.2
235.14748	9.7
236.15549	2.6
237.12820	2.4
237.16380	10.7
239.14206	2.5
239.17892	6.6
245.13254	6.6
246.14098	2.9
247.14645	9.7
248.15724	3.5
249.16353	6.3
250.17039	3.0
251.17943	5.3
253.19496	6.3
256.12451	2.6
257.13306	3.8
258.14117	2.1
259.14810	6.5
260.15659	4.8
261.16409	5.3
263.17972	8.2
265.19534	8.5
271.14804	5.0
273.16406	5.7
274.17059	2.0
275.17953	5.6
277.19638	6.6
279.20959	3.3
283.20660	3.0
285.16373	4.7
287.17715	3.6
289.19427	3.2
295.20361	3.0
301.19586	2.8
303.21136	2.2
307.20743	2.6
310.17114	2.1
311.17941	3.0
317.22888	2.5
327.21011	3.2
329.22543	2.7
331.24133	5.7
339.21097	3.2
343.24265	2.3
346.41141	2.1
355.24066	2.5
357.25916	6.5
361.25455	2.5
365.24857	1.9
373.25055	3.0
385.28781	6.6
467.32520	2.5
473.34332	11.9
485.34314	5.2
491.33224	2.6
509.34302	4.4
547.39679	10.6
565.40363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.05507	10.2
57.07058	4.9
65.03923	2.9
67.05497	14.8
69.03419	3.5
69.07069	11.6
70.11299	3.7
70.11720	6.1
79.05482	14.8
81.07052	21.8
83.04977	4.2
83.08610	5.4
85.06529	4.0
91.05484	23.5
91.66706	2.1
93.07034	32.9
93.41885	1.6
95.04995	10.8
95.08604	21.9
97.06513	3.8
103.05449	2.3
103.39187	1.7
105.07022	49.4
106.07825	1.8
107.08593	29.1
109.06516	7.8
109.10160	18.4
115.05428	3.9
117.07023	11.2
119.08574	51.5
120.71851	1.8
121.06512	2.0
121.10140	38.7
123.08105	9.1
123.11738	8.7
125.05970	1.8
128.06235	5.2
129.07016	9.3
130.07791	5.6
131.08578	20.2
133.10133	38.1
135.08066	5.4
135.11682	13.4
137.09621	5.6
139.11151	1.7
141.06999	5.8
142.07770	13.9
143.08559	24.0
144.09341	4.8
145.10117	30.4
147.08066	5.6
147.11699	13.4
147.85844	1.9
149.09612	4.2
149.13289	2.2
151.07533	5.1
154.07764	2.9
155.08528	12.2
156.09354	11.3
157.10109	35.4
158.10928	7.2
159.08025	3.5
159.10405	3.0
159.11649	19.7
159.12677	1.9
161.09653	2.6
161.13245	3.9
163.11223	2.7
165.07019	3.4
165.09113	10.1
167.08586	4.9
167.10690	18.0
168.09348	5.3
169.10095	17.7
170.10901	6.0
171.11681	21.6
173.13257	18.4
175.11122	2.5
175.14825	8.5
178.07709	2.0
179.08569	7.7
180.09354	6.1
181.10120	10.3
181.12321	1.9
182.10927	6.3
183.11678	15.2
184.12495	3.1
185.13242	15.5
187.14857	8.5
189.12782	3.7
191.14328	3.0
192.09381	3.6
193.10147	8.8
194.10942	7.6
195.11700	15.7
195.13359	2.2
196.12482	6.0
197.13234	18.0
199.11278	1.8
199.14810	11.5
201.16341	4.0
203.08612	1.9
203.14288	4.6
205.10181	4.0
206.10925	5.4
207.11690	9.5
207.13586	3.1
208.12437	6.1
209.13278	20.7
209.15233	2.4
210.14069	3.2
211.14815	10.4
213.16446	5.1
215.14351	4.1
217.10144	2.8
217.15776	3.3
218.10889	2.5
219.11711	5.4
220.12492	5.7
221.13249	15.1
221.15413	19.5
222.14076	4.5
223.14844	7.4
225.12839	2.1
225.16403	5.4
227.18040	2.6
229.15683	1.9
230.10947	2.0
231.11719	4.4
232.12396	2.3
233.13367	8.7
233.15450	8.2
234.14117	3.0
235.14780	8.5
237.16434	9.2
239.17950	3.3
243.11696	3.2
244.12428	2.7
245.13361	4.6
246.14081	4.8
247.14847	6.5
249.16521	5.3
251.17955	8.2
253.19612	4.1
257.13242	4.4
258.14038	2.6
259.14862	5.1
260.15662	2.5
261.16434	8.0
263.17963	7.0
265.19373	8.9
271.14862	3.7
273.16354	5.3
275.17938	6.3
277.19540	4.5
279.20929	2.3
283.15002	2.3
287.17853	2.8
289.19513	3.1
295.20621	2.6
301.19473	4.1
303.21075	3.1
305.18994	2.3
323.17993	2.1
329.22629	2.7
331.24210	3.3
343.24225	3.4
348.33365	2.1
357.25809	4.1
361.25198	2.2
365.24820	3.2
385.28772	2.5
425.28574	2.8
434.37180	2.2
473.34171	6.4
547.39288	13.8
565.40387	100.0
566.40143	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49034	6.8
55.05507	16.1
55.38694	8.2
67.05489	24.1
69.00016	7.9
69.07059	16.1
71.59435	9.4
71.59802	7.7
72.98837	6.9
74.59856	6.6
79.05484	20.3
81.07037	32.6
91.05476	36.6
93.07038	47.9
95.04938	10.0
95.08585	30.3
105.07034	69.2
107.08582	38.9
109.10165	24.7
117.06991	16.5
119.08588	73.0
121.10147	48.1
128.06157	11.7
129.07031	16.7
131.08553	28.3
133.10132	42.5
135.08063	10.2
135.11714	15.6
141.06973	11.9
142.07744	10.6
143.08556	50.9
145.10143	39.1
147.07945	11.1
147.11644	13.3
151.07574	8.5
155.08536	23.3
156.09286	11.2
157.10132	53.2
159.11679	14.4
159.36758	8.3
161.09482	12.4
163.11191	12.2
165.07010	11.1
165.09148	27.1
167.10704	8.1
168.09370	8.8
169.10117	20.1
170.10924	9.8
171.11678	22.1
173.13275	20.2
175.14760	9.5
179.08572	13.5
181.10095	15.9
183.11690	20.8
185.13252	17.9
189.51828	7.7
193.10121	11.3
194.10785	9.3
195.11624	24.4
196.12561	9.9
197.13254	10.6
201.16418	11.6
207.11678	17.6
208.03630	7.6
209.13271	24.6
211.14777	11.0
212.68114	7.3
219.11809	9.3
221.13208	20.9
221.15367	29.8
223.14694	10.4
231.11589	11.4
235.14822	14.9
246.14079	12.9
248.15703	9.1
255.73203	7.2
259.14828	10.0
263.17984	11.7
265.19476	11.1
267.77084	7.8
273.16251	12.4
345.91461	7.9
357.25961	9.6
437.25082	7.9
473.33975	15.2
565.40399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54071	4.4
69.03426	6.8
70.20618	23.2
79.90111	4.3
81.03413	8.5
81.07050	4.9
85.02885	8.0
85.73747	5.5
93.07047	10.4
97.02872	6.6
98.20750	5.5
105.07041	15.8
119.08611	5.0
121.06558	9.2
135.07988	5.0
149.05966	46.3
163.07545	100.0
167.07050	19.8
178.55537	4.4
181.08626	72.0
189.09138	8.9
200.32423	5.4
299.12674	38.5
317.13785	9.0
373.16489	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01864	11.5
55.05511	44.3
57.03434	6.3
65.03928	3.6
67.05506	58.4
69.07071	30.6
69.25634	19.7
69.26065	16.5
71.04979	5.1
79.05487	67.4
81.03411	14.7
81.07059	49.0
83.04967	8.2
83.08611	15.7
91.05476	55.2
93.07043	51.9
95.04976	23.4
95.08614	42.6
97.06541	11.2
97.10200	20.5
99.08102	3.5
105.07030	51.9
106.49056	3.3
107.04958	90.3
107.08591	35.7
108.84443	3.2
109.06498	7.6
109.10155	27.3
111.08070	4.9
117.07008	27.3
119.04935	3.2
119.08599	46.5
119.95171	3.5
121.06574	4.4
121.10126	24.5
123.08050	6.5
125.09625	12.4
128.06215	9.7
129.06998	19.8
129.25206	3.2
130.07777	5.9
131.08560	38.7
133.06502	9.4
133.10124	29.9
135.08055	29.6
135.11725	9.2
137.09593	15.7
139.11191	7.6
141.06996	8.4
142.07776	8.8
143.08559	35.8
145.10121	92.6
147.08073	8.1
147.11740	19.8
147.32687	3.9
149.09618	21.9
155.08571	19.7
155.10699	3.9
157.06470	3.2
157.10135	31.1
159.08180	3.8
159.11707	26.4
161.09586	10.1
165.07112	3.4
165.09108	5.4
166.07777	4.9
167.08556	13.1
167.10571	3.5
168.09413	6.8
169.10138	24.9
170.11011	4.7
171.11716	23.0
173.09659	6.2
173.11765	9.0
173.13251	10.0
175.11220	6.0
177.12698	6.0
179.08543	8.4
180.09363	7.0
181.10130	19.8
182.10931	5.2
183.10201	4.9
183.11685	31.8
185.09659	5.8
185.13234	11.1
193.08495	4.2
193.10152	11.0
194.10818	7.0
195.11632	25.6
197.13242	25.7
199.14890	6.1
203.12740	5.4
207.11705	15.3
209.13223	11.3
211.11377	6.3
211.14754	10.1
213.16422	8.1
219.11673	6.8
221.13266	10.3
223.14771	10.0
225.16489	5.1
227.18018	5.3
233.13123	4.3
235.14862	6.0
236.15556	3.8
237.16341	10.3
239.17929	11.4
245.13324	3.8
245.19040	5.1
247.14842	3.7
249.16484	6.2
251.18150	6.6
255.17453	10.0
257.19046	41.8
273.18579	30.4
275.20087	8.3
291.19531	53.6
297.78674	3.4
309.20563	3.3
353.21094	3.8
361.25122	4.7
363.26978	3.7
365.24692	6.7
367.26349	4.8
379.26276	20.2
393.27853	4.4
501.37180	4.2
511.35986	10.7
529.36719	40.7
537.39032	4.1
547.37860	56.0
565.39105	100.0
566.39282	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24239	1.9
55.05502	2.0
61.02886	2.4
61.69403	1.6
62.90340	1.8
68.99765	5.6
69.03434	2.1
69.36341	6.7
69.36763	11.6
69.88026	1.9
71.05012	2.5
72.71357	2.2
72.71805	1.9
79.05479	6.3
81.03396	4.4
81.07027	3.7
85.02896	4.7
85.32292	1.9
86.36990	1.9
91.05451	3.2
93.07032	3.0
95.04914	2.4
96.40323	2.0
100.51711	1.8
103.05437	4.0
105.07034	10.5
109.02847	1.7
123.04401	2.3
127.03893	3.3
131.04953	3.4
133.06477	4.6
137.05930	3.1
149.05975	12.5
163.07526	100.0
167.06999	3.4
181.08582	79.6
189.09148	5.4
207.10095	2.3
230.77339	1.7
246.32639	2.0
278.11725	2.2
299.12762	42.1
317.13943	9.2
346.61221	1.9
373.16510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02905	1.4
53.03951	1.3
54.57277	1.3
55.01849	2.0
67.05495	3.1
68.99789	4.9
69.03432	3.4
69.07076	2.4
71.03456	1.9
71.03788	2.7
79.05491	9.0
81.03416	2.4
81.07056	4.9
84.17569	1.3
85.02905	4.5
91.05462	6.7
93.07049	3.3
97.02925	1.5
97.06531	6.4
100.08105	1.7
103.05461	4.9
105.07045	10.0
107.04975	2.6
109.02900	1.8
109.06544	1.5
117.07022	1.8
119.08549	2.0
121.06511	6.1
121.10121	1.9
123.04470	2.3
127.03978	2.1
131.04916	2.3
133.06503	4.4
133.13788	1.5
135.04393	2.2
137.05910	3.6
145.06444	2.6
145.73218	1.4
147.04440	1.8
149.06026	13.3
151.07565	5.4
158.07278	1.7
163.03886	4.8
163.07541	100.0
167.07074	3.9
169.43123	1.3
175.07574	2.5
177.09175	2.1
181.04997	5.1
181.08591	83.9
187.07327	1.5
189.09103	4.8
191.07101	1.4
207.10201	1.7
241.47716	1.4
245.45949	1.6
255.48807	1.4
299.12787	19.9
317.13751	9.7
323.12619	3.3
327.15939	2.1
373.16461	8.7
392.38809	1.7
565.22296	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16547	0.7
55.05520	0.7
58.28519	0.6
59.64552	0.6
60.95217	0.6
61.48504	0.7
61.91799	0.6
67.05499	2.3
69.03405	0.7
71.31918	1.2
71.32284	0.7
81.03409	1.3
81.07036	1.4
85.02909	0.8
87.76781	0.8
91.05473	1.3
93.07042	1.0
104.44342	0.6
111.04355	0.6
113.05805	0.8
119.07761	0.6
119.08549	1.1
126.03193	0.7
127.03881	1.1
149.02348	7.1
189.01727	0.6
199.07301	1.3
221.26349	0.7
242.50864	0.6
243.06174	1.1
245.07904	2.1
257.10043	1.0
261.07431	3.5
275.10974	3.4
275.20410	0.8
289.05392	1.0
294.21548	1.2
299.12585	6.6
317.13663	22.6
345.12982	0.9
373.16452	1.2
423.12677	0.8
479.12192	0.6
479.18872	18.0
521.19946	65.7
522.20398	1.6
565.18909	100.0
566.19257	1.4
588.00903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01858	1.6
55.05504	2.2
56.06160	0.9
57.03432	1.7
61.02919	1.6
65.03931	1.2
67.05506	1.9
68.99802	1.1
69.03426	8.8
69.07069	2.5
70.06593	1.8
71.04993	1.3
71.33481	0.9
71.58301	1.5
79.05489	5.9
81.03410	5.5
81.07061	3.9
83.04964	1.0
85.02896	11.0
86.09724	1.1
87.00831	4.2
91.05498	2.1
93.07040	1.7
95.04975	1.9
95.08605	2.8
96.08137	1.1
97.02909	2.8
97.06528	2.4
99.04453	2.7
105.01875	2.3
105.07040	2.8
107.04965	1.9
107.08588	2.4
109.02893	5.7
109.07638	1.6
109.10133	1.1
117.01866	1.1
119.08587	1.4
121.10190	1.6
123.11739	1.2
127.03908	6.7
129.01785	1.2
131.04898	1.1
133.10167	1.8
137.05971	1.5
137.09605	1.7
145.04976	2.6
151.07591	1.0
159.02863	2.8
161.05991	4.0
163.03899	96.5
163.07597	3.7
167.07072	2.6
179.07077	2.4
181.04951	100.0
191.14392	1.7
231.05006	1.3
239.06902	1.1
262.25421	2.0
280.26324	2.2
281.08066	17.5
281.31985	1.0
298.27368	1.8
299.09106	19.6
316.28290	3.1
317.10190	27.8
457.64200	1.2
464.97516	1.1
520.34906	2.1
521.35107	1.7
564.33850	2.8
565.19788	1.0
565.33966	2.1
570.49469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01873	7.7
55.05521	24.8
56.95014	4.3
57.03442	24.8
57.07069	5.0
61.02918	16.9
62.48512	4.3
67.05504	86.2
69.03423	19.4
69.07071	39.9
71.58517	7.5
71.58899	4.9
72.00199	4.6
73.02923	6.3
79.05496	75.5
81.03402	14.9
81.07054	92.8
82.07433	5.1
83.04986	17.0
83.08615	19.8
85.02898	24.3
85.06533	8.3
87.26913	5.4
89.10099	4.8
91.03941	7.6
91.04919	3.9
91.05476	86.2
93.07046	100.0
95.04960	26.5
95.08605	57.7
97.02886	15.5
97.06545	17.9
99.04468	5.2
99.08108	7.5
104.66450	4.8
105.07034	63.9
107.04940	11.9
107.08589	62.1
109.06523	12.9
109.10156	31.7
111.08060	7.6
117.07035	25.8
119.08585	61.5
121.06492	7.2
121.10136	48.8
123.08109	8.1
125.09605	7.1
127.03875	7.9
129.06981	11.8
131.08588	35.6
133.10124	54.6
135.08086	11.5
135.11702	34.5
143.08557	10.2
145.10120	25.7
147.11688	45.2
149.09622	18.5
149.13278	30.1
157.10129	19.6
159.11719	31.5
161.13261	21.9
163.11166	9.8
163.14906	5.4
165.25374	5.3
171.11722	16.8
173.13242	12.5
175.14870	10.9
177.12816	5.9
178.43588	4.4
185.13338	11.7
195.13841	13.8
212.71878	5.1
229.14261	11.6
241.19537	13.3
257.84015	5.7
259.20599	53.1
269.17392	60.9
270.09283	5.6
275.20132	15.8
277.21674	7.5
291.19324	6.0
330.45203	5.5
333.24158	5.5
349.23605	8.8
351.25269	50.0
398.55637	5.7
496.06046	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29836	4.0
52.82888	3.6
53.03928	6.0
55.01861	6.6
55.05510	20.6
57.03421	5.3
60.04529	24.7
60.36686	3.8
67.05505	37.7
69.07055	17.2
69.38225	4.5
71.04983	5.8
72.67995	3.4
79.05491	27.8
81.03388	6.5
81.07058	79.9
83.08607	14.0
85.02867	11.1
85.06528	4.3
91.05499	19.2
93.07039	34.6
95.04949	7.7
95.08611	35.1
97.02871	5.2
97.06465	8.9
97.10083	4.4
98.20695	8.7
105.07020	28.3
106.68369	3.6
107.04932	13.9
107.08589	15.6
109.06528	26.5
109.10170	8.4
109.47116	4.0
111.08067	7.7
115.88235	4.4
117.06992	7.8
119.08553	18.4
119.09350	4.4
121.06516	5.2
121.10107	13.2
123.08051	14.6
123.11713	7.9
124.06493	4.7
127.03880	4.4
129.06940	4.7
131.08566	11.1
133.10153	19.7
135.08014	6.2
135.11671	10.1
137.09610	5.3
140.10683	27.8
140.16908	4.0
141.08989	4.5
145.10110	15.1
147.11656	15.4
149.09615	7.4
151.55304	3.7
159.11681	7.1
161.13194	4.8
163.11171	6.1
165.12720	5.4
171.11682	5.1
184.01920	4.3
184.07405	6.3
193.94643	4.4
194.13046	3.9
239.17766	4.9
247.20624	4.3
257.19016	5.3
275.20038	60.5
293.21036	12.2
324.82904	4.3
349.23718	100.0
367.24747	74.5
492.40314	10.6
510.41626	36.6
528.42645	20.1
546.24762	4.9
546.43500	4.9
583.37250	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.05498	4.5
57.03426	2.0
57.07071	1.5
58.90821	1.3
59.25805	1.3
67.05495	4.8
67.90095	1.5
69.03426	3.4
69.07078	7.0
71.58627	2.0
76.52705	1.8
79.05474	5.8
80.63424	1.5
81.03416	3.2
81.07040	5.8
83.04956	2.1
85.02889	5.8
87.00809	1.8
91.05461	4.9
92.05747	1.6
93.07066	7.2
95.08595	4.7
97.02822	1.5
97.06527	6.4
97.10182	1.6
101.87354	1.7
105.07011	5.2
107.04926	1.4
107.08579	6.4
107.88181	1.5
108.76268	1.6
109.02884	2.0
109.06495	3.1
109.10159	3.5
119.04945	1.4
119.08572	4.9
121.06482	1.5
121.10125	2.0
123.08057	1.7
125.09628	1.9
127.03864	2.4
131.08528	1.5
131.34206	1.4
133.10153	2.7
145.10091	2.2
147.08086	1.5
147.11693	2.8
149.02371	8.2
149.05884	1.7
149.09624	1.6
159.11667	1.9
163.07480	2.1
171.11700	1.4
177.10820	1.6
179.07179	1.6
220.04637	1.5
245.08073	2.7
261.07321	4.4
275.10992	2.3
275.20071	5.2
297.24161	2.1
298.24704	4.3
299.12643	8.5
317.13705	19.0
349.23773	10.6
479.18970	17.8
521.19958	66.2
565.18903	100.0
594.54077	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	7.1
55.05499	31.7
57.03434	20.4
63.93575	8.0
66.09172	6.8
67.05505	90.1
69.03428	15.9
69.07059	48.8
69.95399	43.3
72.01987	6.5
73.02927	9.7
79.05484	80.1
81.03410	20.5
81.07056	100.0
83.04959	10.5
83.08617	19.5
85.02896	23.2
91.05474	50.1
93.07040	77.3
95.04973	25.7
95.08607	56.2
97.02890	8.5
97.06526	25.0
97.10200	14.8
98.20834	9.2
105.07040	57.1
106.76939	6.4
107.04955	14.4
107.08592	48.7
109.06498	7.7
109.10162	16.4
111.08073	9.6
117.07007	16.3
119.08560	25.0
119.11674	7.4
121.10141	20.6
127.03906	7.6
131.08543	27.7
133.10132	35.2
135.11693	25.2
145.10141	27.8
147.11667	17.1
149.09592	20.7
149.13226	17.7
159.11679	29.7
161.13243	10.3
163.07594	8.9
163.11296	8.0
173.13213	14.7
177.12761	23.2
179.14302	9.8
191.14464	10.2
191.23654	7.4
195.13834	11.3
198.11238	8.6
227.12787	14.9
245.13916	9.5
255.15877	56.8
257.18997	19.0
259.36292	8.9
265.70129	8.1
269.17459	91.9
275.20123	54.4
293.21161	9.5
349.23730	97.1
367.24658	29.4
527.77655	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.66962	0.7
55.01860	1.0
55.05510	5.9
56.05032	3.6
57.03433	3.8
58.06596	2.7
61.02914	2.5
65.03947	0.9
67.05501	16.2
69.03428	17.5
69.03785	0.7
69.07069	6.6
69.32858	3.1
69.33286	4.2
70.06594	10.6
71.04994	5.1
72.05341	0.8
72.08149	1.9
73.02910	3.2
74.06079	4.9
79.05481	4.6
81.02968	1.5
81.03410	13.4
81.07044	14.7
83.08627	2.1
84.08141	5.6
85.02901	20.5
86.09735	0.9
87.00835	2.4
91.05476	1.6
93.07025	6.6
95.04968	1.2
95.08598	12.0
96.08134	4.7
97.02889	9.6
97.06557	1.0
98.09694	5.4
99.04439	4.5
103.03949	1.9
105.01895	1.0
105.07069	0.8
107.08592	4.4
109.02881	11.5
109.10155	3.9
110.09684	1.7
112.11254	1.0
114.09168	2.0
115.03860	0.9
121.10116	1.9
123.11639	1.3
127.03905	14.5
127.04797	1.1
135.55589	0.9
138.12810	1.4
145.04955	2.5
152.14334	1.3
159.02931	1.4
187.06004	2.0
203.99747	0.8
234.22269	1.5
250.25215	4.8
252.23314	2.4
262.25262	7.5
268.26385	1.7
280.26343	54.7
281.26657	1.2
287.05499	3.4
298.27396	39.0
300.92258	1.1
316.25095	2.3
316.28439	68.0
317.29031	1.1
358.29355	4.0
478.33569	1.9
484.32724	1.8
502.33817	5.7
520.34808	59.6
521.35236	1.5
546.32562	2.3
564.33765	100.0
565.34338	1.6
572.72461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.7
57.03423	7.9
57.07066	5.7
65.03954	3.6
67.05499	57.5
69.07069	18.8
71.04964	4.2
77.55193	2.6
77.98025	3.6
79.05496	28.8
81.07053	100.0
83.08606	10.5
85.06538	5.4
89.32043	3.0
91.05474	32.2
93.07039	41.6
95.04962	5.1
95.08600	48.4
97.06519	3.3
97.10149	4.7
99.08090	3.2
105.07027	36.7
107.08599	23.5
108.08836	3.2
109.06508	6.4
109.10170	16.5
117.07027	5.1
119.08562	25.0
121.10135	24.5
123.08054	5.7
123.11707	21.2
127.07502	3.3
130.24411	2.9
131.08569	9.9
133.10123	14.1
135.11702	12.2
143.08549	5.1
145.10146	8.3
147.11681	40.2
149.13268	4.7
157.10121	4.3
159.11676	9.3
163.14876	4.0
165.12801	22.2
171.11580	3.1
173.13292	4.8
175.11276	3.3
175.14911	5.0
184.64403	2.9
187.14844	3.7
229.14339	3.8
261.22128	24.0
267.15866	22.2
279.23056	3.5
285.16992	29.0
317.24512	4.0
334.33264	3.4
335.25696	21.2
471.34546	4.7
527.37231	6.6
540.70685	2.8
545.38556	17.3
563.38531	8.8
567.98920	3.1
591.71759	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01881	2.8
55.05513	17.0
57.03430	5.0
57.07063	3.9
65.03937	4.4
67.05173	4.3
67.05506	59.0
69.07072	16.4
71.58884	4.6
72.47052	2.5
79.05497	34.6
81.03401	3.5
81.07052	100.0
83.04951	4.4
83.08605	9.4
85.06547	6.6
91.05480	29.8
93.07044	54.9
95.04961	6.5
95.08604	49.6
97.06541	3.2
97.10141	4.2
105.07029	40.3
107.08592	34.5
109.06576	3.6
109.10162	24.8
117.07002	5.2
119.08584	31.2
121.10139	32.2
123.08073	5.6
123.11712	24.7
124.80316	2.8
126.98617	2.4
127.07539	2.6
131.08551	14.5
133.10104	21.9
135.11713	13.3
137.09583	4.2
137.13249	4.0
143.08533	3.4
145.10124	14.0
147.11681	39.8
149.13271	6.2
157.10081	4.4
159.11691	8.1
161.13246	7.0
165.12766	21.5
169.10138	5.2
171.11699	6.7
173.13278	9.5
175.11189	5.0
175.14833	4.7
181.10127	3.2
185.13272	3.4
187.14714	4.6
193.12143	3.4
221.13231	3.1
229.14166	3.7
243.21051	5.2
259.20697	3.0
261.22116	30.0
267.15936	24.8
279.23132	5.0
285.16910	28.8
317.24689	6.8
335.25775	40.5
342.80133	3.2
471.34378	3.2
527.36755	4.7
545.38318	16.6
563.39325	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31951	7.6
52.73535	7.5
55.05502	14.6
57.03425	9.9
67.05508	54.4
69.07062	20.0
71.59180	14.3
79.05479	38.7
81.07058	100.0
83.08614	10.1
88.40103	7.9
91.05469	28.3
91.52003	8.5
93.07023	58.1
95.05025	10.7
95.08599	51.9
105.07037	41.8
107.08572	37.3
109.10145	20.8
119.08567	35.4
121.10143	32.7
123.11713	30.3
133.10146	19.7
135.11751	14.0
137.13245	8.0
147.11684	35.6
149.13290	10.5
159.11688	14.7
165.12746	28.2
173.13303	10.0
207.16878	9.3
261.22089	29.4
267.15970	28.5
285.16965	37.0
335.25830	28.8
517.21490	9.3
545.37915	22.5
563.22919	10.2
563.38489	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01876	5.3
55.05508	37.3
57.03424	9.9
57.07077	4.3
59.05014	4.6
65.03925	8.3
67.05502	80.7
69.03433	5.0
69.07071	23.5
71.04990	5.2
71.59253	4.4
79.05492	49.1
81.03400	16.0
81.07051	100.0
83.04979	13.2
83.08205	4.0
83.08620	26.9
85.02914	9.7
85.06556	7.9
91.05469	54.8
93.07039	67.4
95.04960	20.1
95.08607	64.8
97.06498	6.2
97.10158	16.6
105.07037	53.4
105.07706	6.7
106.72628	3.8
107.04922	5.4
107.08591	44.5
109.10149	32.9
111.08092	6.7
115.05458	4.3
117.07014	17.8
119.08588	49.4
121.06554	6.3
121.10146	36.6
123.08075	6.2
123.11701	14.3
125.09634	17.5
128.06163	4.4
129.06995	15.6
130.07735	4.4
131.08562	29.5
133.10130	44.8
135.10797	3.8
135.11688	23.8
137.09663	4.2
139.11099	4.4
143.08560	17.1
145.10092	28.0
147.08080	4.5
147.11729	24.9
149.09598	4.7
149.13263	5.6
155.08493	9.9
157.10139	24.0
159.11696	25.0
161.09642	4.6
161.13226	12.7
162.99539	4.4
163.11203	10.2
169.10109	12.7
171.11650	11.8
173.13255	11.0
175.11201	8.6
175.14810	8.3
181.10138	6.9
181.12256	6.6
182.79901	4.8
183.11647	9.6
185.13246	6.0
189.12741	4.9
193.10187	7.5
193.12207	13.4
195.11720	7.1
197.13187	10.6
207.11674	8.9
209.13272	8.2
211.13219	19.1
211.15045	4.3
221.13235	8.3
221.15353	5.9
227.12738	4.6
249.16411	4.5
261.22208	11.0
262.43817	4.2
285.16824	8.8
285.22021	4.7
303.23178	5.4
335.25595	15.6
435.32428	6.5
453.33493	10.9
471.34573	6.4
527.37158	16.4
545.38464	49.6
563.38947	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.1
55.01849	0.9
55.05460	7.9
56.04996	0.7
56.96528	0.5
57.03385	3.1
57.07030	0.9
67.05499	6.1
69.03421	4.8
69.07066	6.4
69.62316	3.8
69.77290	0.6
70.06576	4.1
70.71056	0.6
71.04946	1.0
79.05434	2.4
80.04964	0.8
81.03404	2.9
81.07051	5.4
82.06522	2.2
82.62207	0.5
83.04934	0.9
83.08558	2.0
84.08092	1.8
85.02898	4.2
85.06464	1.5
86.06017	0.6
86.09642	0.6
87.00809	1.0
91.05415	1.8
93.07021	3.7
94.06509	1.7
95.04902	2.2
95.08591	4.7
96.08064	1.4
97.02832	2.2
97.06507	1.1
97.10127	0.8
98.09641	0.6
98.20731	0.7
98.98421	0.8
99.04407	1.5
105.06966	2.1
107.08522	2.3
108.08054	1.1
109.02819	2.2
109.06501	0.8
109.10139	3.0
110.05998	0.6
110.09624	1.1
111.08048	0.6
112.07561	1.8
119.08528	1.3
120.08048	0.6
121.06416	0.5
121.10082	2.0
122.09598	1.7
123.08064	1.2
124.11171	0.6
127.03897	2.8
127.09044	0.7
127.09912	5.1
131.08492	1.0
133.10086	1.1
135.08037	0.9
135.11571	1.0
137.05923	1.1
140.10703	5.9
145.04926	0.6
145.10075	1.1
151.07510	0.6
163.03859	1.3
163.07552	1.2
163.11057	0.5
167.06985	1.0
222.22163	8.2
247.32129	0.5
250.25375	0.5
254.24902	0.5
278.24799	3.5
279.23184	1.4
296.25824	100.0
297.11185	0.6
297.26215	2.1
314.26871	86.2
315.27188	2.2
356.27985	1.5
400.11044	1.2
476.32428	1.2
496.02411	0.6
518.33569	0.8
544.31598	0.9
562.32196	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01860	10.9
55.05510	19.5
57.03430	9.4
57.07067	6.0
60.66375	2.4
63.70054	2.2
67.05502	54.3
69.03420	6.9
69.07065	24.4
70.05477	13.8
71.04984	7.0
73.02919	2.6
79.05484	32.8
81.03423	15.4
81.07056	59.0
83.04970	8.0
83.08617	7.7
85.02901	5.7
85.06532	10.2
91.05473	47.2
93.07037	34.8
95.04958	12.2
95.08601	28.5
97.06544	7.3
98.21590	2.6
99.04421	4.2
105.07021	35.1
107.04945	5.6
107.08582	32.9
109.02859	6.3
109.06505	13.2
109.10142	43.0
111.04407	5.7
111.08094	3.1
117.06976	5.8
119.08585	17.0
121.06502	5.1
121.10135	10.6
123.08047	11.0
123.11732	4.5
125.06026	4.7
127.03914	8.0
127.07539	5.1
129.07018	4.2
131.08580	11.0
133.06476	4.8
133.10118	55.1
135.08051	9.7
135.11676	10.5
137.05969	9.5
137.13184	2.9
143.08528	5.1
145.06392	2.7
145.10123	7.2
147.08104	4.5
147.11682	5.8
149.09612	7.2
149.13254	3.7
151.07574	4.6
151.11171	31.7
152.08279	3.6
157.10123	6.1
161.09595	6.0
165.09102	6.7
167.03410	8.4
169.12251	6.3
175.11150	5.2
177.09171	4.9
177.12822	3.0
179.14352	3.1
179.65280	2.5
193.12183	3.3
196.23499	2.9
204.73285	2.9
205.08685	7.8
206.08887	5.8
208.16992	6.4
215.12740	5.3
245.19000	6.1
246.56577	2.5
253.14343	85.4
257.17447	3.8
263.20093	7.8
267.06244	2.9
271.15329	12.6
273.18484	20.1
275.20071	3.2
287.05392	20.1
288.05670	18.3
291.19498	28.9
305.24799	28.3
309.20551	2.6
311.05493	3.4
319.26154	12.0
323.14960	3.2
326.35001	2.6
339.08423	5.8
341.16037	5.1
347.22232	4.1
347.25803	61.0
365.23163	35.1
365.26978	17.3
393.29871	2.9
421.29483	100.0
422.29507	2.8
439.30612	10.0
519.27307	4.5
544.24231	8.2
562.24579	6.0
562.32111	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01859	6.2
55.05517	13.7
57.03442	3.8
65.03919	3.3
67.05498	26.4
68.05849	3.6
68.50498	2.7
69.03429	5.9
69.07059	16.6
71.05006	3.4
71.58344	4.3
79.05484	20.9
81.03413	7.7
81.07050	23.6
82.07405	3.4
83.04968	3.6
83.08611	3.5
85.02883	4.0
91.05475	22.8
92.05800	5.4
93.07040	16.7
95.04982	7.8
95.08599	14.4
97.02892	4.4
97.10146	4.0
99.04453	2.3
99.80418	2.2
105.07027	21.7
106.07368	4.1
107.04974	12.8
107.08595	10.6
109.02897	3.5
109.06500	5.3
109.10149	7.6
111.04492	2.4
111.08092	3.1
117.07011	9.4
119.08589	15.4
119.87412	2.2
120.08875	2.5
121.02864	71.3
121.10117	3.5
122.03201	17.8
127.03917	9.4
129.06917	3.6
131.08588	10.1
132.08856	2.7
133.06509	3.8
133.10123	8.4
134.03673	2.5
135.08047	3.1
143.08609	2.1
145.10112	7.8
147.04388	3.2
147.08022	3.2
147.11685	7.4
149.09605	4.5
149.13374	2.2
163.03972	3.3
163.11226	2.9
165.01826	7.0
173.05945	2.8
173.13226	4.2
177.05565	2.3
183.02901	7.1
185.22432	2.6
189.11273	2.7
193.05049	2.9
201.05516	3.4
216.19440	2.3
223.13162	4.9
229.04939	4.3
230.05301	2.6
235.41896	2.7
243.06572	5.3
244.06880	3.6
258.19296	2.6
272.06296	3.1
273.18521	10.9
275.20230	2.8
276.20251	5.3
285.16928	5.1
287.05429	14.1
288.05954	10.4
291.16196	2.8
291.19516	66.6
299.05481	100.0
300.05838	93.6
301.06360	4.6
306.08438	2.6
311.05536	3.3
312.05853	4.8
313.06927	4.2
314.07343	3.6
324.05832	6.9
325.06671	6.0
326.07248	3.6
327.08591	43.8
328.08981	50.9
337.06870	5.6
338.07346	6.8
339.08371	6.2
349.06992	3.2
349.17029	3.7
350.17087	3.5
351.08075	4.8
352.08954	7.2
353.10263	11.7
354.10449	17.2
363.08524	8.8
364.08936	16.7
365.09521	4.2
365.23236	29.6
366.10574	3.7
376.08865	2.8
377.09943	4.7
378.10547	12.0
379.11545	3.6
380.11707	5.9
390.10287	5.8
392.12042	4.3
403.11786	3.3
404.12152	7.3
405.12955	4.1
406.13815	3.5
418.13626	3.4
432.15268	3.4
435.23691	4.8
544.15912	5.3
544.24084	91.8
545.24237	5.6
562.25098	72.8
563.25250	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
55.05522	19.3
67.05502	22.5
69.03432	7.7
69.07085	18.1
69.97989	8.7
69.98394	15.7
71.05003	5.1
77.38388	3.3
79.05490	23.4
81.03399	4.8
81.07063	19.6
83.04945	4.5
83.08617	8.3
85.55606	3.2
91.05476	14.8
91.73316	3.9
93.07037	15.2
95.04973	9.1
95.08063	3.6
95.08626	13.8
97.02911	5.1
97.10184	8.6
98.21411	7.7
105.07048	9.9
105.27666	3.6
107.04963	7.6
107.08612	10.9
109.10168	10.1
117.06979	4.5
118.27958	3.3
119.08631	9.2
121.10168	6.4
121.53117	3.3
123.08083	5.0
125.09644	8.1
131.08614	9.1
193.12271	5.0
196.10498	3.6
223.13336	16.4
273.18454	14.9
285.17007	9.9
291.19577	100.0
365.23227	84.3
400.61032	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.5
55.05504	27.4
57.03430	10.8
62.79060	6.6
63.34913	8.3
67.05506	99.1
68.05840	9.3
69.07076	15.4
70.74609	23.5
70.76337	7.1
75.41803	7.5
79.05494	40.7
81.07057	74.0
83.04996	9.2
83.08586	7.3
91.05482	60.7
93.07045	49.0
95.04939	12.4
95.08617	27.4
105.07046	46.0
107.04971	12.5
107.08590	35.9
109.10157	52.3
117.07089	8.3
119.08569	14.7
121.02851	13.2
121.10184	14.8
123.11703	10.5
124.98103	7.4
125.09585	9.3
131.08601	17.3
133.06432	8.8
133.10124	74.9
135.11792	8.4
136.06187	7.9
137.02393	7.4
143.08562	7.9
147.04559	8.5
147.11682	11.0
149.09613	13.7
150.64764	6.9
151.11179	26.5
153.01845	17.7
203.07062	17.6
253.14366	37.3
268.90045	7.8
271.15335	17.0
273.18329	18.4
283.08997	10.6
291.19641	25.2
299.05487	36.2
299.08746	15.5
300.05899	27.8
300.09366	12.7
305.07861	9.7
306.08994	9.2
323.09308	8.6
347.22137	9.8
364.08954	10.6
365.23218	100.0
436.18091	11.5
544.24579	13.0
562.27484	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10795	1.1
52.11991	1.2
55.01871	1.8
55.05519	9.9
55.05737	2.2
57.03431	3.0
58.51409	1.2
65.03941	2.7
67.05507	12.4
68.05817	1.5
69.03413	3.0
69.07062	10.3
70.18429	1.3
71.58256	2.4
79.05495	10.4
80.05820	1.3
81.03411	2.7
81.07052	17.2
83.08611	2.8
85.02897	2.1
91.05480	17.0
92.05807	3.6
93.07045	9.8
94.07346	1.8
95.04958	5.6
95.08622	8.6
96.08921	1.9
97.02917	3.3
97.10168	2.3
103.05493	1.3
105.07032	13.8
106.07347	3.2
107.01310	1.6
107.04948	2.2
107.08598	6.8
109.06489	2.7
109.10132	3.4
111.04411	2.0
115.05440	3.0
117.07059	6.8
119.08578	9.6
120.08910	2.0
121.02858	62.4
121.10116	3.3
122.03198	14.2
125.09695	1.6
129.07005	2.3
131.08585	6.6
133.02911	1.4
133.06458	1.6
133.10143	5.8
135.11691	1.9
141.06960	2.0
142.07370	1.2
143.08546	1.7
145.06514	1.6
145.10107	5.8
146.10468	1.3
147.04427	3.7
147.08029	1.6
147.11708	3.0
148.04727	2.5
149.02339	1.7
149.09605	1.8
152.41292	1.2
155.08472	1.4
157.06569	2.2
159.11674	1.8
165.01839	4.9
166.02089	1.2
169.10088	1.6
170.06801	1.9
171.11676	1.5
173.05946	2.5
174.06247	1.4
175.11226	1.5
177.12715	1.3
179.03305	1.6
183.02896	6.0
184.03206	2.2
193.12282	2.7
193.52728	1.5
197.06000	3.2
198.06360	2.6
201.05453	4.1
202.05829	2.5
203.03526	1.6
211.03943	1.4
223.13348	2.6
229.04909	6.4
230.05324	3.8
235.16588	1.6
243.06541	5.0
244.06792	2.3
257.18958	2.3
258.05045	1.8
271.06039	2.2
272.06342	2.4
273.18469	4.7
275.20200	2.1
276.20346	2.3
284.06238	2.0
285.16830	1.8
286.04611	3.0
287.05380	10.3
288.05832	5.8
291.19522	20.5
299.05490	100.0
300.05814	92.3
301.06485	2.8
311.05444	2.3
312.05927	2.3
313.07114	5.3
314.07410	4.0
322.07968	2.8
323.05521	4.3
324.05859	5.3
325.07068	4.0
326.07455	4.3
327.08319	1.6
328.09061	1.8
336.09378	2.0
337.07144	1.6
338.07373	2.7
339.08701	1.5
340.08957	2.1
349.06912	5.5
350.07288	4.5
351.08453	4.8
352.09024	5.7
353.10208	4.6
354.10574	7.0
361.06888	2.5
362.07324	2.8
363.08548	11.7
364.09036	24.0
365.09885	8.8
365.23257	24.7
366.10440	2.5
376.09082	4.5
377.10245	6.4
377.14987	1.3
378.10519	6.9
379.11359	2.8
389.10315	2.0
390.10510	4.3
391.11523	2.0
392.12292	3.0
403.11554	3.2
404.12109	7.3
405.13239	2.7
406.13794	2.1
417.13013	2.0
418.13565	5.3
432.14819	1.6
476.17709	2.1
488.17853	1.5
493.17999	4.8
516.24506	3.2
544.24084	75.0
545.24225	4.0
562.25122	81.0
563.25342	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.3
55.05504	10.0
56.68460	2.2
57.03432	8.0
61.02919	4.2
67.05512	36.3
69.03406	4.3
69.07076	14.4
69.37368	6.7
69.37788	15.3
71.04978	4.5
79.05491	22.7
81.03410	7.9
81.07054	43.5
83.04974	8.2
83.08604	3.7
85.02930	2.3
85.06544	4.5
91.05481	34.7
93.07050	25.9
95.04968	10.4
95.08633	15.5
97.06516	5.6
98.20652	2.5
105.07031	32.3
107.04961	7.5
107.08602	26.7
109.06512	6.4
109.10159	39.8
111.08018	2.2
113.06020	2.5
117.07006	5.3
119.08621	11.7
121.06508	5.4
121.10139	8.7
123.11722	3.3
127.07534	2.4
129.05429	3.5
131.08551	7.0
133.06459	6.9
133.10138	51.1
133.11140	1.8
135.08064	7.3
135.76631	2.4
137.09604	4.5
143.08530	6.6
145.10120	6.7
147.11665	3.8
149.09610	7.1
151.11194	26.5
159.08121	2.4
161.09639	5.5
161.13297	2.8
169.12212	6.5
175.11145	3.9
177.09109	5.2
179.10626	4.2
215.12798	4.0
223.13275	3.1
245.18997	3.6
253.14363	100.0
254.14677	3.6
269.13766	3.2
271.15436	18.3
273.18436	15.1
291.19452	16.5
295.95688	2.3
299.05505	2.5
318.57486	2.5
345.10559	2.4
347.22113	8.2
365.23239	88.3
366.23572	4.3
476.91562	2.7
562.24030	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
53.74826	2.3
55.01860	13.8
55.05507	34.8
57.03426	9.2
57.07069	4.2
58.09782	2.1
65.03931	7.5
65.56334	2.1
67.05502	100.0
69.03411	4.0
69.07066	29.5
71.04980	8.2
71.58308	3.0
73.02930	4.4
79.05489	82.7
81.03422	15.9
81.07053	88.2
83.04984	26.5
83.08613	15.3
85.02883	5.5
85.06544	6.6
91.05476	60.2
93.07038	90.2
95.04964	18.6
95.08601	70.7
97.06535	10.4
97.10168	7.6
98.98460	21.8
99.04438	8.5
99.08054	2.8
105.07032	35.1
107.04945	15.3
107.08594	44.0
109.02852	6.6
109.06509	6.6
109.10151	30.5
111.04440	33.2
111.08076	10.9
117.07011	20.2
119.08572	35.1
121.06506	7.3
121.10135	47.6
121.11014	2.5
123.08036	3.8
123.11691	7.2
125.09667	2.4
127.03994	3.0
129.06993	6.2
131.08559	22.4
133.10129	19.8
135.08112	3.0
135.11693	34.1
137.13188	3.3
143.08501	2.8
145.06447	3.4
145.10121	30.2
147.11684	13.1
149.09654	5.1
149.13261	9.5
151.11182	3.1
153.01868	2.4
153.12709	17.2
155.00989	13.8
155.08536	6.1
157.10075	3.7
159.11717	11.7
161.13277	9.1
163.11166	28.0
163.14767	5.3
165.12816	2.8
171.11639	4.6
173.09608	12.7
173.13252	9.0
181.10643	3.5
181.12238	21.8
185.13268	2.8
187.14848	3.8
189.16321	2.6
191.10635	20.5
197.13315	3.7
201.16359	2.5
209.11620	3.3
227.12743	21.6
243.21191	4.2
259.20416	2.9
261.22195	14.8
263.23596	3.7
265.14404	5.0
267.16119	2.5
277.21542	3.0
283.15332	21.1
299.05637	4.9
301.16629	3.7
315.19489	2.6
315.22974	2.9
317.24765	4.1
335.25748	5.2
337.27396	17.1
433.30789	2.3
451.31961	2.8
469.33289	2.9
487.33762	3.3
525.35504	5.1
543.36572	14.8
561.38324	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
53.73643	3.3
55.01865	5.2
55.05513	21.1
57.03435	8.7
62.97090	3.3
65.94515	3.6
67.05166	6.2
67.05505	70.4
69.07064	18.7
71.45013	7.1
72.47198	2.9
79.05492	49.0
81.03420	4.8
81.07059	75.3
83.04994	9.6
83.08614	14.1
87.35624	3.6
91.05477	24.5
93.07043	70.1
95.04960	12.7
95.08607	59.5
97.06508	7.0
97.10130	4.5
99.04504	3.9
101.46602	3.7
105.07045	26.6
107.04945	8.4
107.08600	43.3
109.06497	4.3
109.10175	15.4
117.07023	15.8
119.08564	21.5
121.06495	4.6
121.10138	26.3
123.11708	8.8
125.05944	4.0
125.09640	5.2
131.08574	10.9
132.98355	3.4
133.10115	15.6
135.11690	61.3
137.13277	5.0
145.10112	35.1
147.11714	6.4
149.13248	9.3
159.11755	6.6
163.11201	47.5
173.13275	4.8
177.12675	3.6
177.16264	3.8
181.12253	11.0
187.14853	7.2
227.12787	100.0
243.21075	8.4
261.22153	35.0
282.73868	3.3
283.15451	25.0
298.27377	3.6
312.47916	3.2
317.24640	9.5
335.25830	58.7
398.03470	3.7
422.63101	3.7
473.33023	3.9
543.36804	31.3
561.39410	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
54.12930	3.9
55.01863	8.9
55.05497	17.6
57.03423	6.6
65.03935	6.5
67.05495	66.7
69.07054	16.8
71.04963	8.6
71.58627	7.5
79.05487	51.3
81.07050	72.9
83.04955	11.0
83.08595	15.8
85.20132	4.1
91.05472	37.2
93.07034	68.0
95.04938	11.5
95.08601	78.8
97.02899	4.8
97.10151	10.6
105.07021	27.2
107.04993	6.5
107.08580	46.9
109.06487	6.7
109.10155	16.9
113.39371	4.6
114.02602	4.4
117.07005	17.5
119.08562	24.4
121.06544	7.5
121.10130	26.2
123.08108	5.4
123.11683	6.1
131.08543	14.3
133.10126	17.7
135.11699	48.6
143.08621	6.4
145.10120	33.6
147.11656	9.7
149.13297	11.6
159.11700	7.2
161.13277	8.1
163.11188	55.7
181.12199	10.6
187.14767	5.2
207.11569	4.7
227.12773	100.0
243.21132	8.6
246.20589	5.9
249.15773	5.0
261.22156	23.2
283.15399	49.9
296.63824	4.8
317.24762	10.9
335.25748	54.0
438.84360	5.9
469.33228	6.7
508.02609	5.2
543.36584	20.9
561.39270	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.1
55.05511	48.7
57.03410	11.6
67.05505	100.0
69.07054	27.2
69.80896	43.9
71.06118	7.9
72.29142	6.8
73.67771	6.7
79.05492	79.8
81.03406	10.4
81.07056	91.1
81.42049	6.7
82.55971	7.0
83.04974	19.6
83.08614	26.5
86.53973	7.4
87.97542	7.1
91.05489	63.3
92.27456	6.2
93.07034	83.0
95.04970	27.7
95.08613	53.3
97.10150	29.5
98.21458	9.6
105.07021	42.0
107.04960	9.8
107.08586	51.6
109.06484	10.3
109.10188	34.8
111.04433	8.4
117.07016	27.0
119.08558	40.0
121.10144	29.3
123.08008	8.9
123.11724	10.8
125.09635	24.9
129.06984	12.0
129.44769	6.9
130.60579	6.6
131.08568	38.0
133.10129	26.2
135.11671	28.0
143.08563	18.5
145.10138	28.1
147.08099	7.6
147.11685	15.3
149.09567	12.1
149.13272	14.4
155.08603	11.7
155.68004	9.0
157.10156	14.3
159.11710	22.8
161.13239	20.0
163.11252	10.4
169.10088	14.3
171.11679	12.3
173.09619	12.5
173.13268	18.4
179.37712	7.3
181.12314	7.9
182.38257	7.8
185.13235	8.5
187.14807	14.4
189.11211	10.3
227.12762	23.0
261.22095	14.1
283.15347	15.9
301.21680	8.6
317.24863	11.7
333.24506	8.8
408.21210	7.6
451.32013	15.5
469.33200	9.8
525.35266	8.2
543.36841	56.5
561.38062	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.0
55.01856	8.4
55.05507	41.3
57.03422	7.4
60.97493	5.4
66.92461	5.8
67.05506	90.8
69.07086	31.5
69.48251	27.4
69.48674	25.6
79.05489	76.0
81.07055	100.0
83.04975	14.4
83.08611	25.0
91.05480	57.1
91.57999	5.4
93.07034	88.3
95.04963	18.9
95.08600	71.4
97.06512	15.4
97.10152	13.5
98.21540	9.2
105.07024	47.9
107.04976	13.8
107.08592	60.7
109.06514	5.7
109.10137	35.3
117.07004	32.3
119.08571	34.3
121.06498	10.5
121.10156	34.7
123.11663	7.5
124.01297	6.0
125.09606	8.7
129.06982	14.8
131.08542	26.5
133.10086	26.9
135.11681	40.9
143.08545	11.3
145.10120	45.0
147.11684	18.9
149.09630	8.4
155.28114	6.0
157.10196	12.2
159.11687	14.7
161.13278	6.8
163.11189	27.2
175.14801	8.4
181.12289	9.3
189.11250	7.2
197.13176	8.4
227.12750	43.1
234.36465	6.4
243.60924	5.9
261.22162	23.3
264.00079	6.0
283.15347	17.7
317.24573	8.6
335.25912	36.9
451.32205	12.5
543.36914	44.7
561.37769	54.8
578.77875	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01851	0.8
55.05504	1.7
55.85012	0.8
57.03427	1.1
58.06596	5.6
58.53192	0.8
59.07379	2.0
60.08162	61.2
67.05517	4.3
69.03427	3.6
69.07061	6.6
70.06590	2.8
71.04977	0.9
72.08180	1.0
78.69727	0.8
79.05499	2.6
81.03412	2.9
81.07065	3.4
82.06552	1.3
83.08636	1.0
84.08150	4.9
85.02917	3.8
85.06535	1.1
86.09702	36.3
87.04455	0.9
91.05498	3.0
93.07050	3.0
95.04993	2.1
95.08616	3.8
97.02882	1.8
97.06528	12.1
98.09678	1.3
99.04470	1.3
105.07047	2.4
107.04922	1.2
107.08564	1.6
109.02901	1.2
109.06541	1.5
109.10185	2.0
110.06058	2.8
111.04398	0.9
112.07631	1.2
114.09183	1.8
114.12821	1.3
117.76788	0.8
119.04968	2.8
119.07351	1.8
119.08583	1.7
121.06543	1.0
121.10172	1.2
123.04449	1.6
124.07597	2.0
127.03920	3.8
131.04942	1.0
131.08617	1.0
133.10225	1.1
136.07619	3.7
137.06020	1.0
140.82529	0.9
145.04953	1.1
145.10138	1.4
147.04433	1.6
149.97122	0.8
152.10654	1.3
154.15970	1.1
155.08138	1.8
160.07623	1.5
165.05482	1.6
167.07069	1.0
173.09718	1.7
177.09081	6.5
180.13875	3.3
185.09450	1.0
189.09117	5.0
190.12242	4.0
200.10712	1.5
202.12270	8.0
208.13419	3.3
219.10260	3.2
231.10205	4.7
248.12856	5.9
260.23810	1.6
275.07352	1.0
277.21765	1.7
278.24759	6.2
285.77060	0.8
295.16544	1.5
295.22818	1.3
296.25894	4.8
313.23721	2.0
314.26825	9.1
358.21347	2.3
361.21243	1.6
377.23923	0.8
434.87692	0.9
502.29138	12.8
517.29681	5.0
518.33209	1.4
533.36920	14.4
561.29968	6.5
561.36719	100.0
562.31561	2.5
562.38312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05313	1.2
55.01851	1.6
55.05504	4.0
56.96567	1.8
63.43399	1.3
67.05484	4.6
69.03426	11.1
69.07047	5.4
70.06578	4.3
71.04971	1.5
71.57204	1.6
72.08161	1.5
78.33031	1.3
79.05481	6.5
81.03423	3.4
81.07053	5.9
83.04958	3.5
83.08583	3.0
84.08148	2.2
85.02897	7.9
86.09704	1.8
91.05479	15.0
93.07063	8.3
95.04958	2.8
95.08583	3.9
97.02877	2.3
97.06493	2.1
99.04463	1.5
103.05489	3.0
105.07038	17.1
107.08582	18.5
109.06503	4.1
109.10132	2.4
110.31400	1.2
113.29752	1.2
115.05373	1.6
116.06234	1.9
116.98615	2.2
117.07008	8.0
119.07787	2.0
119.08582	18.7
121.10147	18.7
123.08055	3.7
123.11687	2.9
125.09623	3.2
127.03929	2.0
128.06271	1.5
129.06996	5.7
129.10245	2.0
131.08571	27.5
133.10124	7.4
134.99646	1.8
135.08067	9.6
135.11642	3.3
143.08575	11.3
144.09366	4.5
145.10118	16.6
147.11694	8.0
149.09590	3.7
149.13246	10.7
156.09409	1.8
158.10915	14.0
159.09232	1.4
163.03947	2.1
163.07550	1.5
163.11166	1.5
163.14841	2.1
165.12721	2.2
167.07011	1.6
171.11703	1.5
173.13243	36.8
174.13576	1.4
175.14841	6.8
177.05458	1.6
181.04987	1.7
191.14308	100.0
192.14662	2.5
209.11792	1.8
209.15405	6.8
219.01778	1.4
227.09135	1.3
237.02881	1.6
258.04297	1.3
267.05542	1.3
275.07233	1.2
303.04959	5.0
335.18356	1.6
340.99905	1.6
353.19495	1.8
359.00879	1.8
377.01846	18.7
378.02255	2.2
387.28076	1.4
395.02719	9.0
396.03159	1.4
527.04260	1.7
561.25403	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.96568	0.5
57.02325	0.5
60.04519	0.8
61.02930	0.7
64.49722	0.5
67.05512	2.7
69.03416	1.8
69.07075	4.4
70.06590	2.8
70.73951	1.1
71.05000	0.8
79.05492	1.7
81.03403	2.0
81.07050	2.5
83.04969	0.4
84.08143	9.8
85.02897	1.8
85.06530	1.1
85.08928	1.1
86.09702	100.0
87.10034	0.7
89.85643	0.6
91.05476	2.8
93.07063	1.9
95.04951	2.5
95.08600	1.6
97.06516	1.4
98.47980	0.7
99.04434	0.7
101.07106	0.6
105.07026	1.4
107.04977	0.9
107.08619	1.6
109.02895	0.7
109.10147	1.2
112.07592	1.9
113.10760	0.7
117.06997	1.1
119.04936	2.1
119.08586	1.3
123.04438	1.1
124.07565	0.6
128.10715	20.6
129.07008	0.9
131.04906	0.6
131.08562	0.6
132.08098	0.8
133.10088	1.2
134.99625	0.5
136.07526	2.6
137.06000	1.2
141.10234	1.5
145.06534	0.6
145.10133	1.4
146.05988	0.7
147.04427	2.7
147.11670	0.9
152.14317	0.8
156.10202	3.5
157.10071	0.9
160.07588	3.0
161.05989	1.1
161.09587	1.5
163.03917	1.7
163.07579	0.8
165.05482	1.3
174.12747	0.6
175.14940	0.5
177.09097	0.9
180.13858	1.6
181.04997	1.4
182.08122	2.6
183.08073	0.5
185.09695	1.4
189.09116	13.1
197.16473	2.9
202.12260	17.8
202.14137	1.0
206.08269	0.8
208.13393	0.9
210.14909	0.7
213.09119	1.3
225.15971	6.4
231.10152	12.1
237.02893	0.9
239.10742	0.9
247.14307	0.8
248.12808	19.0
249.15968	0.6
258.11374	0.8
263.11655	0.6
265.15469	7.8
267.17056	14.2
267.19849	1.0
275.13867	1.5
276.12405	0.9
277.21756	0.7
293.14984	3.1
295.16556	7.4
313.10730	0.7
315.20676	1.3
333.14465	1.3
352.25879	1.7
355.08069	0.5
361.21170	11.2
378.23715	3.4
380.25531	1.5
382.71838	0.6
388.22388	2.0
389.20819	2.9
399.10623	3.4
406.23364	24.0
433.17667	0.8
434.22903	0.9
448.24310	2.5
475.18317	1.7
543.31305	0.8
561.14050	1.5
561.23486	1.2
561.32806	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.7
54.21319	2.6
55.01872	21.4
55.05509	23.3
57.03432	20.7
61.02919	7.9
65.03933	5.1
67.05501	100.0
69.03430	51.6
69.07062	25.2
69.67548	22.4
71.04989	10.1
73.02914	55.5
77.25850	3.4
79.05493	57.2
80.69453	2.7
81.03415	40.5
81.07051	93.3
83.04975	10.5
83.08617	12.0
85.02898	33.2
91.05473	30.7
93.07042	59.2
95.04974	9.9
95.08604	77.4
97.02888	20.1
97.06522	4.7
97.10139	7.8
98.20787	6.8
98.98479	5.9
99.04453	23.8
105.07011	26.6
107.08589	31.6
109.02876	75.1
109.10151	35.4
110.03676	8.9
111.04433	59.5
111.08013	3.1
117.07030	11.5
119.08596	22.6
121.10130	39.4
123.08105	2.9
123.11715	15.4
127.03914	32.7
129.07019	4.4
131.08546	19.5
132.99542	25.0
133.10149	19.8
135.11708	26.3
137.09608	3.3
137.13170	3.6
145.10130	16.4
147.11723	14.7
149.09622	4.3
149.13252	17.2
151.00572	6.6
159.11697	13.3
161.13246	11.7
163.11238	3.6
163.14778	7.6
171.11755	3.3
172.99052	4.4
173.13243	12.5
175.14861	4.6
187.04320	3.0
187.14795	7.6
191.00087	33.1
201.16379	4.6
209.01201	8.8
243.21109	10.9
261.22150	35.4
317.24710	4.8
335.25848	35.8
337.27365	9.1
543.36658	6.8
561.27362	43.2
561.37122	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.05504	5.4
55.23702	0.8
57.03440	1.1
57.07077	6.8
58.07402	1.5
61.02916	1.0
65.03933	2.3
67.05498	10.4
68.82713	0.7
68.99804	0.9
69.03420	1.7
69.07054	3.5
70.18874	1.8
70.19286	2.7
79.05484	6.4
81.03430	1.4
81.07064	8.9
82.22891	0.9
83.05005	1.6
83.08626	1.2
85.02892	1.9
85.06499	0.9
86.03991	0.7
91.05489	9.0
93.07068	5.0
95.04945	2.5
95.08616	7.9
96.66928	0.7
97.02892	1.4
97.06524	1.3
97.10164	1.4
103.05444	1.1
105.07022	10.3
107.04971	1.2
107.08600	3.5
109.02884	0.9
109.06553	1.0
109.10162	3.6
111.04456	1.5
115.05418	0.9
117.07025	4.2
119.04942	1.2
119.08580	7.2
121.02860	39.2
121.06534	0.9
121.10173	1.9
122.03224	0.9
123.04426	1.0
127.03923	1.5
129.07010	1.6
131.08600	4.9
133.06483	1.4
133.10136	3.4
141.07063	1.1
143.08601	1.0
145.06500	1.1
145.10109	3.7
147.04414	3.2
147.11659	1.8
149.02338	32.8
150.02664	14.7
157.10091	1.2
159.11734	2.7
161.05856	1.1
163.03941	0.9
163.07571	1.3
165.01859	2.6
167.03490	0.9
167.08676	0.8
171.04466	0.9
171.87941	0.8
173.05989	2.8
173.13243	0.8
175.04051	0.7
175.07562	2.3
179.03300	1.4
183.02870	4.3
183.04329	1.2
185.06010	1.1
187.14893	0.9
191.03452	1.0
197.05986	1.6
201.05473	1.6
203.07027	3.6
204.07404	1.9
205.04916	1.0
205.08699	1.1
206.08969	2.3
206.72102	0.9
213.05408	0.8
213.08952	1.1
223.07474	1.1
225.05544	1.0
229.04994	4.9
243.06514	4.2
257.19019	2.8
261.09140	1.0
263.07077	1.2
271.06082	1.6
275.20056	2.2
277.08752	1.0
277.14337	5.2
278.14651	9.2
279.06522	1.3
283.06204	1.0
286.04721	1.2
287.05435	8.3
292.07297	2.6
293.08044	1.3
299.05493	100.0
300.05865	1.1
305.08002	3.9
307.09772	1.6
309.07559	0.9
310.08398	1.1
311.05499	3.4
313.03699	2.0
313.07193	3.7
321.07733	1.2
321.11142	3.7
323.05518	4.6
323.09247	2.7
325.07047	3.0
327.08698	3.1
331.09567	1.1
335.09180	1.0
337.07129	3.3
339.08615	1.2
339.12274	3.5
339.16266	1.0
348.06253	1.1
349.07150	2.8
350.07620	1.2
351.08673	3.2
353.10123	4.7
361.06940	1.8
363.08615	15.1
364.09424	6.6
365.10229	1.9
373.06924	1.1
375.08551	2.4
377.10156	5.7
378.10846	1.0
379.11887	1.4
389.10156	1.6
391.11679	1.7
399.10611	1.0
403.11670	3.5
405.13412	2.1
417.13327	3.6
419.14844	1.1
431.14883	1.2
443.18680	1.8
449.16061	0.9
461.19516	1.1
475.17343	2.5
487.17752	1.3
492.17538	2.3
493.18466	1.3
497.53775	0.9
515.24207	1.6
525.26678	0.9
531.66705	0.9
543.23682	39.4
544.23993	1.1
550.98236	0.8
561.15723	1.9
561.24744	46.4
562.25110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01869	1.3
55.05505	2.5
57.03423	0.3
58.53311	0.2
65.03931	1.9
67.05174	0.3
67.05499	4.1
68.99792	0.8
69.07061	2.4
70.76112	0.6
70.76469	0.5
71.04989	0.4
73.02388	0.3
74.00737	0.2
79.05063	0.4
79.05492	5.3
81.03407	0.3
81.07050	5.6
83.04955	0.3
83.08621	0.5
85.83014	0.3
91.05477	7.1
93.07043	4.3
94.31565	0.2
95.04958	1.7
95.08588	3.2
97.10196	0.4
101.49458	0.3
103.05452	0.6
105.03421	0.5
105.07024	6.8
107.01288	0.6
107.04964	1.4
107.08574	2.1
109.06544	0.3
109.10159	0.9
111.04432	1.4
115.05450	1.0
117.07026	3.5
119.04941	0.8
119.08572	4.4
121.02859	39.9
121.10125	1.4
129.06998	1.2
130.07794	0.5
131.08568	3.2
133.02859	0.4
133.06499	0.5
133.10127	3.1
135.04465	0.5
135.08086	0.4
135.11710	0.8
137.02333	0.4
141.01825	0.3
141.06984	0.6
141.87613	0.3
143.08545	0.4
145.06473	1.1
145.10117	3.0
145.57845	0.3
147.04402	2.9
147.11690	0.9
149.02367	1.0
151.03981	0.4
153.01891	0.3
155.08569	0.6
157.06499	0.7
157.10112	0.8
159.08026	0.4
159.11664	1.6
161.05957	0.5
161.13254	0.4
163.03909	0.4
165.01851	3.5
167.03316	0.3
167.08585	0.3
169.06471	1.1
169.10106	0.5
171.04413	0.7
171.08063	0.4
171.11667	0.8
173.05971	2.7
173.13303	0.5
175.03934	0.7
177.01881	0.8
179.03336	0.7
181.06474	0.4
183.02896	3.8
183.04395	0.3
185.05945	0.7
187.03912	0.5
187.07619	0.3
189.01839	0.8
189.05496	0.4
197.05963	2.0
197.13261	0.3
199.07622	0.3
201.05438	1.8
203.03410	0.7
211.03801	0.4
211.07452	0.5
213.05487	0.9
215.06993	0.6
217.04941	0.4
221.05931	0.4
223.07507	0.3
225.05460	1.5
227.06976	0.5
229.04961	4.8
229.19633	0.7
233.09503	0.3
239.06889	0.3
241.04974	0.8
242.07596	0.3
243.06471	3.9
245.18962	0.5
249.18532	0.7
253.05022	0.5
253.08600	0.3
255.06465	0.3
257.04462	0.7
257.08078	0.4
257.18948	2.6
258.05157	0.3
263.07260	0.3
267.06479	0.5
269.04419	0.5
269.08020	0.4
271.05914	1.8
275.20035	2.6
279.06915	0.3
279.10214	0.3
281.08212	0.3
283.05966	1.5
285.04059	0.6
286.04733	1.7
287.05460	8.8
289.08618	0.6
292.07648	0.3
293.08127	0.9
295.06036	0.4
295.09698	0.5
297.07562	0.4
299.05478	100.0
300.05801	1.2
301.07071	0.4
305.08112	0.3
306.08893	0.3
307.06387	0.5
307.09741	0.7
309.07645	0.7
310.04535	0.4
311.05490	3.6
311.08844	0.5
313.03552	0.5
313.07034	3.8
317.37064	0.3
320.06949	0.3
321.07568	1.7
322.08072	0.3
323.05508	4.5
323.09039	0.6
324.06381	0.6
325.07019	3.0
325.55832	0.3
327.08636	2.1
333.07492	0.3
334.08331	0.5
335.09189	1.4
336.06012	0.3
337.06995	3.1
337.10690	0.5
339.08551	1.2
343.09506	0.3
347.09189	0.9
348.06369	0.6
349.07068	3.3
349.10794	0.5
350.07635	1.6
351.08545	3.8
353.10168	7.0
359.09109	0.5
361.07050	2.1
361.10809	0.3
362.07813	0.8
363.08600	16.4
364.09402	6.7
365.10248	1.7
371.00415	0.3
373.06940	0.6
374.07785	0.5
375.08521	3.3
376.09552	0.5
377.10190	6.4
377.14719	0.5
378.11008	1.1
379.11719	2.9
385.10516	0.4
389.10065	2.8
390.11081	0.4
391.11719	1.8
401.10272	0.9
403.11795	4.5
405.13153	1.8
415.11942	0.4
417.08478	0.3
417.13449	3.3
419.14920	1.2
423.14688	0.3
431.14828	1.4
441.15497	0.6
445.16403	0.5
447.17917	0.3
449.15799	0.9
459.18027	0.4
461.15808	0.5
467.16434	0.4
475.17337	2.0
479.17010	0.7
487.17569	0.9
491.17072	0.9
492.17773	2.6
493.18393	1.4
515.24615	1.8
525.22620	1.1
543.23755	42.0
544.24231	0.9
561.24805	45.4
562.25043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72253	0.5
55.01866	0.8
55.05496	1.5
57.03451	0.6
57.07073	20.4
58.49884	0.4
65.03944	0.7
67.05504	1.0
69.03410	1.9
69.07059	0.7
71.58050	0.5
73.02898	0.5
73.06547	1.3
74.29089	0.5
76.97307	0.5
79.05506	0.8
80.37540	0.5
80.70961	0.5
81.03403	2.2
81.07042	1.2
84.08913	0.5
85.02910	3.7
85.34126	0.6
87.00813	1.1
91.05476	1.3
91.54153	0.5
93.07059	0.7
95.04961	0.7
97.02889	1.8
99.04456	0.6
105.01852	0.5
105.07040	0.8
107.08593	1.4
109.02876	1.4
119.08617	0.9
121.02867	2.2
121.06450	0.6
127.03906	1.9
131.08580	0.6
136.06200	3.3
149.02336	100.0
150.06233	0.7
159.02856	1.2
167.03394	1.9
175.07585	0.8
190.04959	0.7
200.36768	0.5
203.06985	1.0
205.08594	12.3
221.08093	2.1
253.79686	0.5
270.54971	0.5
275.19824	0.6
277.14325	12.9
295.15417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89299	1.2
55.05500	5.5
56.96573	1.1
57.07071	14.1
59.74318	1.2
68.06158	1.3
69.03429	3.2
69.07057	1.3
70.01077	1.4
71.07851	3.0
77.78629	1.1
79.05491	3.1
81.03411	2.5
81.07042	1.7
85.02888	3.8
91.05472	1.9
93.07030	1.8
95.08575	1.6
97.02875	1.8
105.07006	1.7
109.02883	2.7
121.02885	3.0
123.04403	1.6
127.03883	1.9
149.02339	100.0
161.05989	1.6
163.03845	3.5
167.03377	2.2
175.07579	2.7
180.86911	1.2
181.04956	1.7
203.06989	3.9
205.08612	10.8
240.51964	1.2
257.38120	1.4
271.80719	1.5
277.14343	29.3
295.15240	1.4
322.07632	1.4
516.85248	1.5
560.15631	5.2
561.14050	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.4
55.01855	0.4
57.03412	1.8
61.02914	1.2
67.05482	1.6
69.03432	5.0
69.40882	3.3
69.41292	0.9
70.06580	1.3
71.01352	0.8
73.02908	1.6
81.03391	1.6
85.02905	6.1
87.04456	0.6
91.05459	0.4
97.02914	3.0
98.21519	1.1
99.04446	0.7
109.02859	0.8
127.03916	0.9
134.04619	6.3
137.15529	0.5
152.05675	1.6
158.07086	0.6
165.02307	6.5
167.02571	0.7
175.09818	0.5
181.05408	1.7
182.04961	100.0
183.05255	0.9
184.07455	0.7
190.03168	0.6
194.04953	3.5
200.09360	1.6
205.05431	2.9
216.04636	2.3
219.07024	1.6
221.08601	0.8
224.05966	0.8
231.07008	11.3
248.09650	26.9
249.09831	0.5
266.10706	62.1
267.11008	1.0
314.09186	1.0
316.95871	0.5
380.13947	1.2
398.14890	10.0
428.15979	49.5
429.16370	0.9
560.20221	23.4
561.19958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04624	8.2
55.05507	37.0
57.03420	10.1
67.05505	91.4
69.07075	16.2
69.35631	49.6
69.36056	37.2
71.04987	8.1
79.05502	97.1
81.07056	78.1
83.08619	14.0
91.05487	70.9
93.07034	100.0
95.04963	22.7
95.08606	56.4
97.06529	13.1
105.01467	7.8
105.07033	54.9
107.08612	40.0
107.72465	8.6
109.10135	14.6
117.07020	19.0
119.08569	41.0
121.10175	18.6
123.11748	8.6
129.07019	28.0
131.08583	21.1
133.10130	24.6
134.67328	8.5
135.11703	19.8
143.08551	17.8
145.10124	22.8
147.11700	40.5
149.13287	10.5
151.07463	9.5
161.13216	16.0
169.36018	9.0
171.11674	24.1
175.82484	7.9
182.66582	8.1
187.14909	10.4
189.12840	12.0
207.13806	26.7
279.16306	8.0
281.17496	33.8
335.25848	36.3
430.82672	9.8
457.53583	10.8
541.39093	58.9
555.45062	9.3
559.39807	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03828	9.2
53.77637	9.4
55.05507	32.1
57.03423	9.5
57.16494	9.8
60.52896	9.0
67.05216	9.3
67.05505	88.9
69.07066	30.3
70.19107	21.1
70.19533	31.2
79.05485	65.4
81.03458	11.7
81.07052	100.0
83.04950	12.6
91.05489	78.8
93.07030	98.0
93.72530	10.4
95.04935	11.6
95.08613	64.1
105.07031	44.8
107.08588	38.4
109.10126	15.2
117.07047	15.4
119.08585	28.5
121.10138	28.3
129.07030	13.6
131.08586	16.8
133.10144	22.6
135.11736	10.4
147.11690	31.0
159.11690	11.1
171.11685	31.2
181.20576	10.9
207.13847	16.8
214.11597	12.8
261.22269	13.1
281.17462	34.5
335.25775	49.2
343.47665	11.3
518.18311	11.4
541.38531	45.6
559.31763	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.01856	12.1
55.05508	47.7
56.49437	4.0
57.03428	6.7
57.07070	4.3
65.03934	4.8
66.65925	3.2
67.05505	100.0
69.03425	7.2
69.07060	32.1
71.04999	6.2
71.58647	7.6
79.05494	80.9
81.03407	8.8
81.07052	99.1
82.11396	4.4
83.04967	11.6
83.08613	36.9
85.06539	6.0
91.05478	80.4
93.07038	83.3
93.07626	4.3
95.04974	22.0
95.08042	6.9
95.08600	61.6
97.02881	4.5
97.06527	9.8
97.10185	34.1
99.00796	7.8
103.05441	5.9
105.07029	60.9
107.04957	13.3
107.08588	53.5
109.02876	6.2
109.06520	10.8
109.10154	37.9
111.04457	5.8
111.08080	10.3
111.11768	4.8
117.07015	23.6
119.08582	42.8
121.06509	11.4
121.10149	32.3
123.11713	14.6
125.09645	20.4
128.06244	8.1
129.07004	14.4
131.08577	35.7
133.06517	4.7
133.10147	51.3
135.08040	9.3
135.11681	27.4
137.09662	7.2
137.13210	3.6
141.06995	4.7
141.70161	3.8
143.08499	20.4
145.06516	3.8
145.10130	33.4
147.08005	6.3
147.11656	26.0
149.09630	12.4
149.13258	10.8
151.11191	11.3
155.08540	6.4
157.10124	13.7
159.11662	22.0
161.09593	19.0
161.13261	11.9
163.11185	10.3
165.12759	7.1
169.10121	7.3
171.11745	9.8
173.09645	7.1
173.13260	17.1
175.11203	5.6
175.14920	5.6
179.10614	5.3
183.11702	7.6
185.13335	8.5
187.14819	5.9
189.09114	11.9
189.11244	11.5
195.11760	5.9
197.13283	9.7
199.14874	6.9
201.16479	4.3
225.11119	9.7
227.12817	10.9
239.18034	5.5
259.20706	5.4
261.22147	9.5
267.15829	12.9
275.20001	22.1
277.21768	7.4
281.13815	11.5
287.23685	7.9
291.19638	4.9
297.22052	6.0
299.20105	4.4
313.21469	4.4
315.23108	30.4
403.30090	5.0
421.30884	13.4
431.29944	5.9
439.32080	4.6
449.30408	16.8
457.32928	7.6
467.31564	36.7
485.32324	18.9
507.22220	3.8
513.35785	22.5
523.33807	4.9
531.36761	20.3
541.22083	4.1
541.35236	63.2
559.36444	96.5
559.45221	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21605	4.6
53.00300	6.3
53.03945	7.5
53.84192	4.2
55.01862	13.0
55.05510	44.3
67.05502	89.7
69.03392	8.0
69.07072	35.9
69.45776	33.8
69.46186	7.6
71.04977	8.2
79.05483	64.2
81.03400	9.4
81.07051	81.5
83.04993	7.3
83.08623	26.4
91.05485	69.3
93.07040	73.6
95.04957	16.8
95.08588	47.4
97.06516	6.2
97.10172	20.0
97.57138	4.5
98.98435	6.0
99.00770	5.5
105.07034	53.5
107.04947	8.4
107.08583	43.9
108.92819	5.3
109.06479	10.2
109.10153	30.3
111.08105	9.0
117.07014	24.4
119.08566	29.7
121.06474	6.3
121.10159	32.0
123.08033	8.8
123.11711	11.5
125.09626	17.5
129.06996	12.1
131.08562	34.5
133.10115	48.0
135.08014	5.2
135.11684	15.8
143.08560	14.8
145.10091	26.4
147.08026	7.0
147.11690	19.5
149.13293	12.1
151.11168	7.3
155.08479	12.6
157.10170	11.3
159.11688	13.0
161.09569	10.3
161.13261	7.8
163.11235	12.9
167.14333	5.9
169.10062	9.9
171.08202	5.9
171.11696	11.9
173.13239	8.5
175.11118	6.1
179.10672	8.8
183.11775	8.5
185.13171	6.4
187.14832	5.0
189.09158	6.9
189.11243	13.4
201.12698	4.9
225.11134	6.4
227.12796	12.3
243.20865	5.5
261.22189	8.4
267.15927	7.8
275.20001	17.0
277.21420	7.7
281.13745	6.5
291.19693	23.1
315.23227	15.8
421.31064	9.7
439.31808	8.2
449.30396	13.7
467.31516	21.1
485.32468	14.9
513.35675	17.5
531.36804	10.0
541.35156	34.2
559.28723	6.7
559.36407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01853	2.3
55.05494	0.6
57.03403	0.6
61.02936	0.6
65.09222	0.6
67.05486	0.7
69.03426	4.8
69.07028	0.8
69.29880	5.9
70.06579	0.6
71.05004	1.0
73.02922	0.6
79.05486	4.7
81.03413	4.5
81.07047	1.6
83.01326	1.0
85.02422	0.9
85.02898	10.2
87.00803	2.8
91.05454	1.5
92.49351	0.5
93.07014	1.3
95.04951	2.0
95.06002	0.6
95.08595	1.0
97.02885	3.3
99.04450	1.7
103.05436	1.4
105.01847	1.4
105.07028	16.3
107.04950	3.6
107.08572	1.1
109.02878	3.9
109.10101	0.6
115.05450	1.0
119.08549	0.8
123.04402	1.3
127.03913	7.6
131.04909	1.0
133.06487	65.1
134.06761	0.6
135.04407	63.4
145.04929	2.2
145.10109	0.6
149.02315	1.8
149.05925	1.1
153.01840	0.6
159.02887	2.1
159.04346	0.6
161.05956	2.3
171.89883	0.6
191.10658	100.0
192.10941	1.0
203.06993	0.6
215.10727	0.8
227.10722	0.7
231.04939	1.1
243.06512	0.7
252.49524	0.6
253.08670	0.8
255.10114	9.3
279.10196	0.7
309.14880	0.8
311.16144	1.6
377.17731	0.6
403.13901	0.6
405.50357	0.6
467.13068	0.6
503.15265	3.3
515.31622	1.0
559.22656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43129	0.3
55.01860	0.6
55.05505	0.8
57.03450	0.3
63.43874	0.3
64.61372	0.3
65.03936	0.3
65.79250	0.3
67.05506	2.0
69.07051	1.0
71.09709	1.0
79.05493	2.3
81.03402	1.4
81.07048	2.6
83.08627	0.8
91.05473	3.7
93.07053	1.6
95.01274	0.4
95.04942	1.1
95.08597	1.0
97.06514	0.4
105.03339	0.3
105.07034	2.4
107.04950	2.1
107.08568	1.3
109.06518	0.7
117.07006	0.9
119.04931	0.8
119.08584	2.7
121.10139	0.5
123.04449	1.6
129.07001	1.4
131.08524	1.0
133.02817	0.5
133.06482	0.4
133.10138	0.9
135.04384	0.4
135.08052	0.4
137.02280	0.4
143.08554	0.5
143.79655	0.4
145.10129	0.8
147.04324	0.4
147.08043	2.9
147.11655	1.0
149.02332	1.0
151.03902	1.3
157.06445	0.4
157.10158	0.4
159.08092	0.4
160.05220	0.8
161.02339	10.2
161.05992	2.3
161.09636	0.3
163.03899	3.1
163.07545	0.6
167.03365	2.1
173.13190	0.5
175.03871	1.4
175.07582	1.8
175.11124	0.6
177.09131	0.8
179.03464	0.4
179.08537	0.3
185.05986	2.3
188.04619	0.4
193.08549	0.5
201.05455	0.6
203.07025	100.0
204.07405	1.2
205.04951	1.8
207.02866	0.5
213.05406	0.4
219.06503	0.9
221.08084	1.5
229.08644	1.7
238.31598	0.4
245.08096	0.7
251.06833	0.4
267.06580	0.4
267.15909	0.4
269.11761	2.6
273.07562	1.4
275.20065	1.5
279.06519	0.5
293.11740	0.8
295.12842	0.3
305.08151	0.4
306.08804	0.9
321.11154	6.9
322.11896	0.4
337.10721	0.5
339.12268	9.8
341.09909	0.5
365.10181	2.1
383.11218	7.0
423.14224	0.6
449.15964	1.4
519.91370	0.4
541.34973	0.7
559.19562	1.6
559.36591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55320	0.2
52.56516	0.2
53.03925	0.2
55.05507	2.1
57.03438	1.0
57.07076	0.2
65.03931	0.6
67.05499	11.4
68.05025	1.0
68.20326	0.2
69.03405	0.2
69.07065	2.4
70.06577	0.5
70.38280	0.5
75.71740	0.1
78.65485	0.2
79.05488	1.6
81.07047	4.1
82.06570	2.2
83.04988	0.2
83.07346	2.1
83.08619	1.1
86.09690	0.4
87.32319	0.1
91.05483	1.7
93.06470	0.3
93.07037	4.5
95.04948	0.5
95.07372	0.3
95.08598	5.3
96.08131	1.2
97.10152	0.4
105.07013	0.8
107.04948	0.2
107.08587	0.6
109.10136	0.9
117.06950	0.2
119.08546	0.5
121.10146	0.7
122.09705	0.2
123.11678	0.6
124.11218	100.0
125.11545	0.7
126.05450	0.2
130.33728	0.2
131.08470	0.2
133.10121	0.4
135.11673	0.2
142.12292	0.9
147.11606	0.3
162.84343	0.2
165.23198	0.2
216.69559	0.2
222.08879	23.3
223.09071	0.3
227.75447	0.2
261.35800	0.2
307.30658	0.2
337.27332	10.3
558.35480	1.3
559.32532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.4
67.05508	0.7
69.03423	1.3
69.07064	2.6
70.06580	1.4
73.91031	0.4
81.03405	0.5
81.07051	1.4
83.08611	0.4
84.08141	0.9
85.02917	2.3
85.06539	0.5
85.86302	0.3
86.09715	0.5
90.09149	0.4
91.05474	1.1
93.07027	0.9
95.04958	1.0
95.08593	1.0
97.02885	0.8
105.07029	1.9
107.08588	1.4
109.10153	0.8
111.08092	0.4
116.98693	0.5
117.06999	0.4
119.08585	7.6
121.10159	1.1
128.07076	1.1
129.10275	0.5
133.10120	6.7
135.11691	0.7
145.10115	0.9
147.11694	1.2
159.11786	0.4
160.12616	0.5
166.25020	0.4
175.14828	8.5
201.03674	0.5
203.05289	13.6
206.88069	0.4
237.18587	0.4
261.09454	0.7
267.07748	0.6
305.25009	0.6
323.25491	0.5
365.06647	0.9
377.19348	10.1
379.21045	1.1
383.07724	1.0
557.25684	100.0
558.25787	3.3
562.95123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2563
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
55.05512	0.8
67.05492	0.6
69.03434	1.5
69.07066	1.5
70.06599	0.8
71.04967	0.3
71.57272	0.4
72.08134	0.5
81.03412	0.8
81.07052	0.9
83.04964	0.4
83.08618	0.4
84.08141	0.5
85.02889	2.0
85.06538	0.4
87.04425	0.3
91.05479	1.3
93.07023	0.6
95.08601	1.2
97.02897	1.4
105.07018	2.3
107.08601	1.1
109.10181	0.9
116.98621	0.3
117.07043	0.3
118.33112	0.3
118.98257	0.3
119.08570	9.0
119.09354	0.5
121.10158	0.9
125.07400	0.3
127.03912	0.6
128.07065	0.5
129.10191	0.4
131.08545	0.4
133.10112	7.7
135.11723	0.8
145.10124	0.7
147.11676	1.3
160.12434	0.4
161.02962	0.5
175.14824	9.2
203.05284	14.8
204.77087	0.3
267.07678	0.3
313.08420	0.4
351.05276	0.3
351.14883	0.3
365.06516	0.6
377.19348	10.2
379.20767	2.2
383.07428	0.6
395.20029	0.3
557.25659	100.0
558.25897	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04180	0.3
53.56434	0.3
55.05504	1.4
56.05032	0.4
57.03426	1.0
57.07076	0.4
65.03951	0.4
67.05506	12.1
67.43597	0.3
67.80965	0.4
68.05023	1.2
69.07069	1.1
69.55323	0.3
70.06602	0.6
71.07378	0.4
79.05495	3.0
80.18361	0.3
81.07059	4.4
82.06577	2.3
83.07359	2.5
83.08616	0.6
86.09718	3.0
91.05505	2.1
93.07048	6.3
95.04989	0.6
95.07357	0.4
95.08611	4.2
96.08150	1.3
104.10748	0.4
104.53883	0.3
105.07053	0.7
107.08595	1.5
109.10146	0.9
119.08598	0.4
121.10172	1.0
123.11719	0.4
124.11234	100.0
125.11563	0.9
133.10176	0.6
135.11685	0.4
142.12311	0.7
162.95547	2.4
199.68462	0.3
222.08910	23.6
335.25818	10.5
497.20819	1.7
537.50983	0.5
556.34106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01857	4.5
55.05504	8.7
55.27717	2.0
57.03419	5.0
57.07056	7.5
61.02910	6.0
61.07895	2.0
63.93847	1.9
67.05495	14.8
69.03424	17.3
69.07062	8.4
70.06580	10.0
71.04987	4.2
71.57678	2.5
71.58010	3.0
72.08157	3.8
73.02894	3.5
79.05492	4.3
80.16256	2.3
81.03407	7.8
81.07057	37.5
83.04968	2.2
83.08607	10.4
83.52892	2.4
85.02902	100.0
86.09689	2.9
91.03951	4.3
93.07029	6.4
95.04961	2.6
95.08604	42.6
97.02895	25.3
97.06468	3.1
97.10171	13.9
99.04440	3.5
105.07032	4.1
108.64090	2.3
109.02871	10.3
109.10147	55.3
111.04395	3.0
115.11094	2.5
117.06927	2.3
119.08561	3.4
121.06477	2.4
121.10138	3.7
123.10819	3.9
123.11703	57.0
127.03905	28.2
128.07086	3.7
133.10031	2.7
133.17224	2.3
137.13225	19.1
145.04955	57.9
155.01176	2.3
159.08012	2.5
163.03929	5.1
163.06042	26.9
164.20601	2.0
167.06967	3.0
179.17950	54.2
187.11093	2.8
197.19002	53.3
359.24170	3.8
365.06433	2.8
376.18005	4.3
383.07480	3.6
453.32571	2.7
468.61536	2.5
556.25262	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90678	1.1
55.05513	2.3
56.22294	1.2
67.05492	2.2
69.03423	2.3
69.07062	2.3
70.06573	4.1
70.89876	2.8
70.90245	2.8
71.05005	1.6
79.05486	2.0
80.03851	1.2
81.03400	1.4
81.07044	3.8
85.02883	2.9
86.09679	1.4
88.76776	1.2
91.05472	6.1
93.07040	5.8
94.06562	2.0
95.04964	3.0
95.08604	3.4
97.02884	1.5
105.07027	2.8
107.08595	2.7
108.08138	2.3
109.10145	1.5
111.08064	3.7
111.16264	1.2
114.61362	1.2
115.36194	1.2
117.07005	2.1
119.08581	2.5
120.08103	2.2
121.06488	2.8
121.10113	1.4
122.06017	2.9
123.04379	1.5
123.08062	1.3
124.07573	2.3
127.03853	1.9
132.08118	1.5
133.10217	1.2
134.09663	4.2
135.08058	4.0
136.07556	6.2
137.05843	1.4
137.09677	1.2
138.05547	1.3
138.09164	1.5
139.07559	1.1
140.07097	1.5
144.53459	1.3
145.06352	1.2
150.05460	1.3
152.07030	1.6
152.10703	2.9
154.08659	2.3
160.07529	1.2
160.11182	1.1
162.05516	1.8
162.09137	28.1
163.03906	1.2
163.07486	1.6
168.10194	5.8
170.08385	1.3
175.14839	1.3
178.08620	1.2
178.80463	1.3
180.10193	16.8
187.08516	1.3
190.08672	3.5
194.08105	1.7
199.08696	2.4
200.09509	1.5
204.10217	1.5
208.09674	34.5
211.08705	2.6
212.07104	1.3
213.06540	2.9
213.10175	2.9
214.07365	2.0
215.08124	5.5
218.08234	2.3
225.06526	1.6
227.08128	4.9
228.08743	1.4
229.09712	5.8
230.08138	2.0
237.10271	1.6
239.08134	3.6
240.19119	1.2
241.09714	3.2
243.07666	5.2
243.11267	4.4
248.09070	2.1
250.10811	4.2
253.09618	3.2
255.07678	7.1
255.11220	1.7
257.09155	13.1
258.09970	4.4
267.07932	1.5
267.11264	1.9
269.05099	1.3
269.09335	3.2
271.10825	4.7
272.11517	2.2
273.08749	2.5
273.12436	2.5
276.08716	5.3
279.11572	1.7
285.08771	9.6
289.11777	9.5
295.10635	2.2
299.10330	3.9
299.62338	1.5
302.09097	3.0
311.10211	1.8
315.09958	2.6
316.10547	11.5
317.11298	91.6
318.11560	2.0
341.11411	1.8
343.12823	1.8
355.12750	2.7
367.12717	1.6
369.10864	2.5
371.12466	1.5
383.12277	2.6
414.14435	3.1
474.16595	7.1
492.17593	4.0
506.19214	4.2
524.20300	100.0
525.20557	3.8
542.21289	10.9
556.22961	20.4
557.08844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
57.03409	4.7
62.54419	1.7
64.83010	1.9
67.05502	4.6
69.03429	18.8
69.07073	3.2
79.05478	4.6
81.03410	5.1
81.07053	3.4
85.02886	15.9
86.09666	2.3
87.04446	6.4
91.05477	100.0
93.07043	3.9
95.04953	3.4
95.08601	3.6
97.02880	13.4
98.98460	10.4
105.07014	3.9
106.51115	1.8
107.04946	7.9
107.08597	3.0
108.05287	1.8
109.06490	2.6
109.86014	1.9
115.03923	17.9
120.08099	2.3
120.08939	2.0
121.10133	2.2
123.88129	2.0
127.03894	3.4
131.08528	1.9
133.04971	23.8
137.05881	2.0
145.04953	3.0
157.10124	2.9
164.72240	1.9
173.02094	2.2
181.08676	1.7
189.09097	4.7
245.08087	4.1
292.19858	4.0
305.70724	2.1
317.11389	5.0
524.20264	4.2
556.28217	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01875	5.7
55.05500	11.8
57.07072	3.0
67.05505	23.4
67.31670	3.3
69.03410	9.8
69.07063	18.6
69.27023	33.6
70.06580	3.6
70.95850	2.6
71.04978	10.6
76.04044	3.2
79.05486	25.6
81.03406	7.1
81.06583	5.9
81.07050	100.0
81.07524	5.5
83.04964	11.2
83.08608	8.1
85.02893	22.8
85.06541	25.9
87.00803	3.2
91.05469	13.4
93.07037	53.2
95.04969	6.9
95.08597	69.0
97.02871	8.3
97.06516	13.3
99.08086	12.1
101.06011	34.7
105.07019	23.2
107.08588	43.1
109.02876	4.5
109.06497	4.8
109.10148	44.0
111.04450	6.9
111.08053	16.9
111.11723	6.8
113.09620	4.1
115.07524	5.5
119.08570	26.6
121.10114	37.0
123.08035	4.2
123.11707	60.4
125.09647	4.7
127.03909	7.1
129.05486	22.2
129.09093	8.5
131.08556	4.0
133.10101	15.6
135.11667	38.1
136.07526	2.9
137.05894	3.1
137.09601	13.5
137.13240	12.1
139.11159	9.8
145.04880	3.9
145.10146	4.6
147.08028	4.1
147.11665	13.1
149.13248	44.9
151.14871	3.5
153.09094	3.1
155.10609	4.1
157.08614	7.4
161.13229	7.2
163.14796	14.2
165.09100	13.4
165.16347	3.1
167.10641	3.5
173.13216	3.0
175.14810	24.5
177.16454	5.5
183.10208	5.6
185.11699	5.8
189.12599	3.1
193.15858	18.6
201.11174	10.7
203.14369	3.4
211.16928	19.1
217.19531	4.0
221.15285	4.3
223.97250	2.9
239.16377	38.9
253.17953	5.8
253.21565	6.1
257.17447	77.5
263.23706	4.5
275.23709	3.3
289.18002	4.2
293.24664	5.8
305.05466	5.1
306.49951	2.9
309.24216	7.1
321.24286	28.4
327.25189	20.9
339.25269	70.6
357.26370	35.7
365.10568	4.6
375.27243	7.2
555.24054	56.8
556.24371	6.0
581.66827	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.8
57.03435	6.8
57.07076	29.4
59.79796	0.6
61.74607	0.6
67.05511	8.5
69.07063	6.7
69.50507	6.2
71.04955	0.7
71.08630	22.3
74.83624	0.6
79.05463	0.9
81.03418	7.7
81.07050	12.4
83.08618	8.4
85.02924	0.8
85.09705	1.2
85.10177	11.3
95.08601	16.5
96.96951	0.7
97.10178	5.3
98.98465	75.8
99.04448	2.0
99.11714	1.3
107.08557	0.7
109.02896	5.7
109.10162	8.2
111.11685	1.3
116.99501	1.8
122.94641	0.6
123.11716	2.8
137.13211	1.7
140.46216	0.7
145.04953	1.0
151.14828	1.0
152.78503	0.7
155.01039	100.0
169.90958	0.7
173.02144	1.1
239.23694	10.3
281.49530	0.7
282.60553	0.7
299.05130	0.8
310.72668	0.7
313.27365	62.3
314.27911	0.9
317.06335	7.2
383.27927	2.1
393.23972	4.5
401.28949	3.0
426.22125	0.7
537.28394	1.4
538.42169	0.7
555.33337	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00584	0.2
53.03936	0.3
55.01872	0.3
55.05509	0.5
55.11776	0.2
67.05510	0.7
69.03436	1.1
69.07078	0.4
69.43671	1.9
71.05001	0.3
79.05485	1.0
81.03416	1.1
81.07063	1.0
83.04966	0.3
85.02908	1.7
85.68353	0.2
86.09676	0.2
87.00835	0.5
91.05475	0.7
91.93523	0.2
93.07054	0.8
95.04984	0.9
95.08595	0.7
97.02894	0.9
97.06537	0.3
97.10148	0.2
98.20788	0.4
99.04489	0.3
105.07040	1.0
107.04951	0.4
107.08589	0.7
109.02884	0.7
109.06548	0.3
109.10179	0.5
115.05446	0.4
117.07024	0.8
119.08565	0.5
121.06536	0.3
121.10163	0.6
127.03905	1.0
131.08606	0.4
133.10152	0.7
137.05923	0.3
141.06985	0.3
143.08578	0.3
145.04956	0.4
145.06477	0.6
145.10146	0.4
147.11601	0.3
153.01910	0.3
153.07109	0.2
159.02921	0.3
159.11731	0.3
161.06015	0.3
163.03923	1.0
163.07545	0.6
165.07101	0.3
172.62213	0.2
173.06006	1.0
173.13277	0.3
181.06442	0.3
189.09048	0.3
195.08040	0.4
205.10150	0.3
207.08124	0.5
215.08482	0.4
218.07390	0.5
219.08090	0.5
220.08749	0.3
222.06770	0.2
223.07657	0.3
226.06274	0.4
233.09558	0.4
235.07565	0.6
236.08337	0.7
236.65874	0.2
237.05495	0.3
237.09108	0.3
242.05786	0.5
247.07620	0.7
250.06172	0.4
251.10753	1.0
261.09052	0.7
261.98331	0.2
263.07117	0.6
264.07922	0.6
265.04932	0.6
266.05743	0.5
279.06540	3.8
279.10153	1.5
289.25394	0.3
292.07294	38.5
293.07684	0.7
306.08981	0.8
307.09634	100.0
308.09918	1.2
316.10287	0.4
317.11063	0.4
318.11887	0.4
335.05356	0.4
347.12445	0.3
375.08606	0.6
393.09821	1.1
393.22583	0.3
403.74249	0.2
429.58481	0.3
479.81714	0.3
511.25333	0.8
523.18994	2.1
555.15588	0.5
555.24854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86519	2.2
55.05505	8.1
64.91823	1.8
67.05488	7.0
68.05032	2.2
69.03420	7.0
69.07066	14.3
69.40022	15.6
70.06586	11.0
71.04998	4.2
79.05478	7.5
81.03414	5.3
81.07056	14.7
82.06523	1.8
83.08615	6.3
84.08115	4.0
85.02903	25.3
86.09704	31.6
86.18313	1.9
87.10028	6.0
91.03941	3.0
91.05473	5.6
93.07040	13.5
94.06538	2.1
95.04960	4.8
95.08053	2.7
95.08605	27.5
95.93829	1.8
96.08112	2.4
97.02880	10.8
97.06506	3.0
97.10180	3.6
99.04442	4.6
99.08072	5.9
105.07041	5.5
107.08584	29.3
109.02870	4.9
109.06468	3.3
109.10157	7.3
110.07166	14.6
111.07449	3.8
111.08134	5.0
114.05492	2.7
119.08578	5.7
120.08089	2.7
121.06454	2.6
121.10140	50.8
123.11706	2.3
124.07589	2.0
125.09623	5.5
127.03912	6.9
131.08582	2.5
133.10106	5.5
135.11700	11.8
136.07640	2.4
137.13234	5.0
145.04942	9.0
146.06009	4.5
147.06339	2.5
149.09604	2.1
149.13264	4.2
156.07666	16.2
157.08025	5.5
158.08139	3.1
160.07535	2.0
161.05902	2.7
163.06052	3.1
177.16379	100.0
178.16763	2.2
190.05042	2.0
194.15352	3.1
195.17407	18.5
204.06572	2.5
213.18457	31.4
230.04688	2.7
269.15967	2.6
270.16446	3.4
285.16479	2.6
286.16382	2.4
363.09283	2.2
375.17841	3.1
394.11008	2.3
554.24695	4.7
554.31909	6.0
555.24011	2.4
570.74341	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	3.8
69.03415	6.6
69.88326	11.8
69.88749	7.0
70.06564	3.2
70.67721	3.2
77.80032	3.4
79.05479	5.1
80.64607	3.3
81.07036	8.4
85.02905	7.0
86.78463	2.8
91.05480	11.0
93.07050	4.6
95.08612	7.4
96.08157	3.0
105.07011	4.8
110.09652	3.7
119.04935	15.7
120.08110	3.3
121.10122	4.0
127.03896	3.9
133.10094	4.3
137.06001	5.2
138.09157	10.9
149.05974	81.8
163.07547	6.1
171.08073	8.9
179.07014	2.9
181.08514	3.6
191.14355	3.3
203.10684	30.9
221.11725	100.0
253.21588	3.6
276.43668	3.0
285.11182	3.1
287.19928	3.5
325.44574	3.3
339.16089	3.7
348.35599	3.1
389.13480	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84639	2.9
54.44539	3.1
55.01870	4.3
55.05505	6.9
55.75738	2.8
61.12925	3.0
64.74583	3.0
67.05501	6.9
69.03434	5.9
69.07049	6.9
70.06582	5.9
70.47327	10.1
71.04970	3.8
79.05496	15.6
81.03387	3.4
81.07057	27.4
83.04961	7.6
85.02913	8.4
85.06536	6.0
86.09723	5.1
91.05463	10.4
93.07040	39.1
95.04959	11.1
95.08594	12.2
97.06535	9.2
99.04445	12.9
105.07046	21.0
107.04942	4.6
107.08601	23.7
109.06521	19.8
111.04446	3.5
111.08124	5.1
119.08604	14.6
120.08101	8.1
121.06508	36.6
121.10148	6.9
123.08092	4.7
125.05969	4.7
127.03915	4.0
127.07560	5.7
131.08563	7.4
133.06441	5.0
133.10147	6.6
135.04436	5.2
135.08073	14.5
137.05963	6.3
137.09616	6.2
139.07581	3.1
142.08678	6.8
143.08572	6.2
145.10085	7.8
147.08075	3.3
147.11696	39.2
151.11142	2.6
153.09076	3.9
157.10146	11.2
160.56030	2.8
161.13266	9.3
165.12738	5.4
167.07033	2.8
171.11688	16.8
173.09605	6.4
175.11201	17.9
181.10112	3.1
189.12735	20.6
193.12271	10.6
197.78458	2.9
199.11154	17.0
203.14500	3.1
206.08147	5.8
207.13799	18.5
217.12291	48.5
225.14955	3.8
235.13283	100.0
235.15613	6.3
253.14351	96.9
271.15512	6.3
288.23944	3.2
316.10577	4.8
317.11346	10.6
357.15442	4.3
421.76724	2.9
522.18787	22.9
554.29987	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.01866	6.5
55.05509	32.5
57.03427	7.4
57.07074	7.8
65.36147	3.1
67.05499	60.9
69.03425	21.3
69.07067	28.5
70.82787	9.4
71.04974	13.3
71.08619	4.1
73.02914	3.5
79.05499	37.5
81.03429	17.4
81.07053	89.6
83.08603	14.8
85.02903	41.6
85.06519	5.9
85.10178	3.8
87.00812	14.2
87.04457	7.6
91.05450	14.4
93.07037	40.4
95.04971	8.0
95.08601	85.4
97.02863	14.6
97.06539	9.5
97.10162	12.9
99.04484	4.0
101.06008	24.4
101.33185	3.3
105.01869	17.6
105.07017	13.5
107.04893	4.7
107.08582	23.0
109.02867	11.4
109.10149	44.3
111.11728	6.5
119.08554	8.5
121.10138	60.3
123.11721	19.7
127.03915	24.5
133.10129	6.2
135.11697	40.1
137.05966	4.2
137.13210	16.3
141.06264	3.2
145.04945	9.1
145.10136	5.5
147.11711	3.8
149.05908	3.7
149.13252	20.6
151.14803	10.4
159.11661	6.9
163.03871	6.3
163.14740	6.2
177.16379	4.6
179.03319	3.7
181.04938	5.5
191.17950	4.6
199.14752	3.5
213.13060	3.2
231.04916	4.2
233.22606	40.5
251.23650	14.7
269.24759	100.0
281.89407	4.1
305.05005	6.1
305.27081	4.1
320.21384	3.4
489.70615	4.0
553.16504	4.2
553.25024	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68802	0.3
61.97959	0.3
67.05490	0.4
69.03413	0.5
69.07064	0.4
71.58501	0.4
71.58849	0.3
79.05504	0.5
81.07014	0.3
81.39666	0.3
85.02920	0.4
91.23786	0.3
92.76233	0.3
93.07063	0.4
107.08591	0.3
157.04669	0.5
175.26627	0.3
185.04221	2.5
201.03777	0.9
244.46855	0.3
259.07861	1.2
275.07336	0.7
303.05106	0.4
305.05649	0.3
317.19604	0.4
331.10007	3.7
335.21011	0.6
345.11673	0.6
349.16934	0.6
359.13065	0.8
373.14618	0.7
391.24902	0.5
401.17764	0.7
415.19443	0.7
450.38464	0.4
455.22736	1.0
483.21808	2.1
535.27649	0.5
553.29816	100.0
554.30090	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2978
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
58.75167	0.5
71.57902	1.1
93.09464	0.5
95.08608	0.8
123.79620	0.5
160.84450	0.5
175.00098	0.5
259.07892	1.2
268.16968	0.6
349.16748	0.7
366.03824	0.7
481.49750	0.6
553.29834	100.0
554.29694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	1.8
58.06600	1.5
60.08162	15.3
61.35584	1.3
71.07362	6.0
71.18796	1.3
86.09703	43.9
98.20804	4.2
98.98466	3.4
104.10740	92.4
124.99997	22.4
129.09775	1.9
184.07336	100.0
258.11118	1.5
391.03751	1.6
534.38898	6.8
552.40192	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
67.02052	0.4
70.78471	1.3
81.07060	0.5
83.01109	0.8
93.07066	0.6
95.01065	0.7
106.09019	0.4
107.08613	0.5
126.69296	0.5
133.03484	0.6
133.10178	0.5
157.04712	0.5
171.28712	0.4
184.03363	0.5
185.04185	0.9
201.03734	1.0
202.70702	0.4
203.05272	1.3
231.92763	0.4
249.47774	0.4
259.08020	1.8
263.27069	0.4
268.72491	0.4
299.18713	0.5
315.18033	0.6
317.19638	1.6
331.09955	2.2
335.20776	1.2
345.11346	0.7
359.20740	0.6
391.24710	0.6
415.19415	1.3
455.22711	0.8
483.22250	2.5
553.29865	100.0
554.30261	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73358	1.4
56.05029	1.6
57.07073	3.9
58.06603	2.1
60.08165	14.7
66.15272	1.6
69.07063	1.8
71.07370	8.4
71.20191	2.6
71.20522	2.0
75.42079	1.6
81.07034	2.3
86.09708	47.4
89.75027	1.5
92.53407	1.4
98.98458	4.2
104.10742	100.0
125.00008	21.3
134.51176	1.5
149.79955	1.5
177.10812	1.7
184.07339	92.5
218.51846	1.7
230.30867	1.7
258.10944	2.0
287.14374	1.9
297.34348	1.4
534.39154	5.5
552.40289	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.1
57.07074	7.9
60.08144	20.2
67.05508	30.3
69.07046	19.2
71.07379	6.3
71.58926	9.9
79.05484	46.1
81.07056	27.2
83.08649	6.6
84.87925	5.6
86.09708	42.9
91.05489	21.5
92.21468	5.3
93.07029	54.6
95.04969	9.6
95.08579	16.5
97.06514	6.7
104.10735	100.0
105.07019	20.4
107.08592	28.8
109.10130	14.1
119.08587	11.2
121.10133	32.8
124.99995	27.4
129.06966	5.6
131.08565	9.8
133.10094	12.8
135.11684	37.1
147.11667	6.6
149.13280	12.5
184.05798	7.7
184.07347	89.5
277.21619	56.1
318.90366	5.6
439.75967	5.7
481.50998	6.7
489.37872	5.8
496.21448	6.6
552.40839	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01844	2.6
55.05504	9.8
56.66004	1.7
57.07059	2.3
61.02904	1.9
65.03905	1.5
66.72919	1.7
67.05168	2.7
67.05502	30.0
69.03414	5.9
69.07072	15.2
69.47606	5.8
69.48036	9.3
71.04984	3.5
74.09729	2.9
79.05492	15.1
81.03419	8.2
81.06586	2.6
81.07053	49.8
83.04959	4.9
83.08607	6.4
85.02902	14.6
85.06507	1.8
87.00841	3.8
91.05495	11.4
93.07040	30.5
95.04958	3.1
95.08600	53.3
97.02883	5.3
97.06509	4.9
97.10148	6.3
99.04430	3.0
105.01859	1.8
105.07021	11.1
107.08578	16.0
109.02838	4.5
109.06487	6.4
109.10159	28.5
111.08054	1.9
111.11716	3.1
117.07014	4.5
119.08596	9.6
121.06492	5.4
121.10139	14.3
123.08067	4.2
123.11677	12.5
127.03911	9.3
128.35535	1.5
131.08572	6.2
133.10141	13.2
135.08040	6.5
135.11699	10.3
137.05980	2.8
137.09612	4.5
137.13240	6.4
145.10130	7.3
147.11687	6.6
149.09637	3.6
149.13281	4.7
151.11179	4.4
151.14864	1.8
153.09123	5.3
155.10623	1.8
159.02872	2.2
159.11661	11.0
163.07512	4.0
163.11180	3.1
165.09158	1.9
167.10667	5.3
173.13252	6.8
177.12706	4.7
181.12222	3.9
187.14854	2.4
189.16315	4.4
191.17941	11.5
195.13744	3.9
195.71292	1.6
215.17975	32.6
231.04834	1.7
231.40652	1.6
233.18974	31.5
243.19139	1.7
251.20041	19.6
267.19489	5.0
268.19870	3.1
269.21121	100.0
270.21381	1.8
287.22165	12.4
303.04648	1.9
304.05322	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01865	3.2
55.05510	4.8
57.03433	1.7
58.28299	0.7
61.02912	1.8
67.05492	2.7
68.99785	2.0
69.03079	0.9
69.03426	10.8
69.07066	5.8
70.03761	1.2
70.06590	4.6
71.04987	5.0
71.58757	1.5
72.08167	0.8
73.02913	1.9
79.05478	2.9
81.03418	13.2
81.07055	7.4
82.03731	2.4
83.08614	2.2
85.02903	20.2
86.03230	2.9
86.09706	1.0
86.59901	0.8
87.00823	6.1
91.05467	7.3
93.07021	4.4
95.04956	1.3
95.08612	6.9
97.02881	8.8
97.44570	0.8
98.03216	1.5
99.04440	4.3
100.04806	1.2
100.77848	0.8
103.05466	0.9
105.01834	3.7
105.07020	12.9
107.04932	1.1
107.08591	11.5
109.02876	9.0
109.10136	1.8
110.03182	2.2
111.00729	1.1
112.07602	2.6
115.03938	1.0
115.05444	1.0
115.88463	0.8
117.01871	1.9
117.07001	3.2
119.04972	0.8
119.08576	64.9
121.10149	4.4
123.04459	0.9
123.08093	0.8
127.03909	12.0
128.04221	4.1
131.08551	1.2
133.10120	15.5
135.11670	1.1
137.02336	3.1
137.05939	1.6
138.02594	1.8
140.07076	1.7
145.04929	5.7
145.10117	1.2
147.02895	0.8
147.11673	2.2
153.01828	4.7
154.02119	2.1
159.02882	5.0
160.03226	1.1
161.05972	0.7
161.13205	0.9
163.03900	1.8
163.06004	0.9
165.01857	2.7
172.03163	0.7
175.14815	48.4
201.05554	1.4
202.05742	1.5
215.09148	1.9
220.71861	0.8
229.04947	3.9
230.05272	4.2
231.04866	1.1
233.10191	1.3
257.04453	1.0
258.04733	2.2
263.14786	0.9
286.04401	1.4
303.04971	61.6
304.05319	100.0
304.24429	0.9
305.05542	5.8
307.60251	0.8
325.10928	1.2
346.06131	0.8
354.25693	0.9
403.98877	0.8
455.30545	0.8
552.32190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62345	1.3
55.05508	2.4
57.02644	1.3
67.05503	1.9
69.07059	5.5
69.85367	8.5
81.07086	1.7
85.02887	3.2
91.05470	2.0
95.08609	4.5
105.07014	6.3
107.08597	5.3
109.10152	4.8
119.08575	31.7
121.10161	1.9
131.08583	1.4
133.10133	29.9
135.11700	4.5
145.10097	2.2
147.11711	4.6
175.14819	100.0
193.15872	8.4
259.44922	1.3
342.43912	1.3
377.31244	1.6
378.42899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
53.16395	0.2
55.05506	2.2
56.37259	0.3
57.07069	0.5
61.02903	0.3
67.05495	1.3
69.03418	0.7
69.07063	6.0
70.42809	0.2
71.06548	0.6
79.05488	0.7
81.07051	2.0
83.08611	1.5
85.02888	2.0
85.06537	0.4
88.27971	0.2
91.05471	2.6
93.07047	1.7
95.08591	4.7
95.09166	0.3
97.02869	0.5
100.49796	0.2
103.05437	0.3
105.07024	7.0
107.08594	2.3
109.06459	0.3
109.10144	4.7
117.07027	0.8
118.07734	0.2
119.08572	30.2
120.08896	0.4
121.10123	1.8
122.41193	0.2
123.11707	0.5
127.03899	0.4
131.08539	1.0
133.10120	25.2
134.10597	0.2
135.11691	2.0
137.09570	1.4
145.04942	0.3
145.10097	1.9
146.10815	0.3
147.11682	4.1
149.13219	0.5
151.14835	0.8
160.12407	1.2
163.03854	0.4
164.05469	0.2
173.13255	1.9
174.13593	0.4
175.14809	100.0
176.15117	1.8
177.16388	0.3
193.15868	11.2
207.03438	0.2
229.15935	0.2
366.13959	0.3
447.32278	0.2
521.24396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66308	0.5
69.03430	0.7
69.55460	2.3
69.55881	1.7
79.05494	0.7
81.03407	0.7
81.07039	0.7
85.02903	0.8
88.56645	0.5
91.05451	1.2
92.54436	0.5
93.07049	1.9
94.06576	1.8
95.04947	0.5
95.07344	2.3
96.08132	4.5
104.31594	0.5
108.08116	2.9
109.02837	1.0
110.09682	5.9
111.42181	0.5
120.04453	3.6
120.08086	4.9
122.06035	1.3
123.06820	0.7
127.03921	1.2
128.96812	0.5
128.99973	0.6
136.07567	3.4
138.09122	7.9
143.55687	0.6
146.06000	1.0
148.07552	1.3
150.05502	0.5
150.09081	0.7
152.07088	1.6
162.05489	0.5
166.08626	7.9
180.10248	0.7
182.11662	0.7
194.08057	1.2
196.09872	1.1
197.10701	1.2
209.10626	1.0
211.08618	0.6
211.12244	1.3
212.09422	1.2
213.10204	0.7
221.10759	0.7
222.11530	0.5
223.08638	2.0
223.12321	1.3
224.09428	1.9
225.10242	3.6
226.03368	0.5
227.11847	1.0
233.10551	0.7
235.08669	1.9
236.09438	1.0
237.10208	8.7
238.11047	1.3
239.08183	2.4
239.11740	3.2
240.12506	0.8
241.09743	1.3
248.09380	1.5
249.10223	6.8
250.07933	0.5
250.10861	2.4
251.08237	3.3
251.11815	6.2
252.08882	1.2
252.12508	1.0
253.09792	4.8
253.12500	0.6
253.13065	0.5
254.10469	0.8
255.11421	0.8
261.10248	2.9
262.11023	0.7
263.08386	0.7
263.11798	4.1
265.09705	10.7
266.10550	1.5
267.11203	5.1
269.09152	1.2
269.13336	0.6
271.10773	2.9
277.09802	3.1
278.06781	0.6
278.10519	3.8
279.07739	3.0
279.11288	9.7
280.08179	0.7
280.12054	2.1
281.09247	3.2
281.12827	1.8
282.09985	1.0
283.10782	7.2
285.12473	0.8
287.13931	1.2
289.09686	5.7
291.08276	0.6
291.11353	2.1
293.09244	2.0
293.12891	4.5
294.09955	5.5
295.10782	3.3
295.14035	0.6
296.11575	2.6
297.12405	1.2
298.09399	0.6
299.10272	2.4
299.13425	0.6
302.12631	0.5
303.04886	3.4
304.05350	4.1
306.09814	1.3
307.10757	2.2
308.11462	1.2
309.12326	2.2
311.10287	6.1
311.13715	1.1
312.10931	2.6
313.11743	1.4
314.12643	1.4
317.09268	1.2
321.08859	1.1
321.12250	0.9
323.10373	1.3
323.14026	1.4
324.11053	2.0
325.11945	1.4
326.12631	4.7
327.13364	7.8
335.10162	6.5
339.13364	52.6
340.10507	2.5
340.14059	1.0
352.10587	1.1
353.11224	1.3
354.11972	3.7
355.12866	15.2
356.13745	1.0
367.12863	37.5
376.16507	0.8
386.14697	1.2
387.15576	0.9
388.16418	0.7
418.17493	0.6
436.18622	0.7
451.21024	1.1
460.18600	1.4
479.20349	1.2
488.18152	13.5
492.21301	6.2
502.19321	0.9
520.20770	100.0
521.21112	3.7
538.21851	0.7
552.23425	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78368	0.4
53.03953	1.4
54.85566	0.4
55.01881	1.0
57.03441	0.6
59.98587	0.5
61.02937	0.5
67.05504	1.5
69.03421	3.0
69.07063	0.7
70.74594	1.3
71.05013	0.5
73.02912	0.7
79.05501	0.9
81.03412	2.6
81.07063	1.2
83.95043	0.4
85.02904	6.9
86.09724	0.6
87.00848	2.2
91.05469	2.7
93.07034	3.6
95.04966	1.6
95.08605	1.2
97.02911	2.2
97.06505	0.6
97.10154	0.4
99.04461	1.2
103.05488	1.6
105.01869	1.6
105.07021	3.4
107.04948	1.0
107.08616	0.7
109.02866	2.2
109.10146	1.0
114.79983	0.5
121.06502	4.7
127.03922	3.2
131.04921	1.8
131.08578	0.9
133.06494	7.0
135.08047	0.8
137.05940	0.6
145.04948	0.8
145.06471	1.2
145.10146	0.6
147.04424	3.2
147.11664	0.7
149.05980	100.0
150.06323	1.2
159.02914	0.6
161.05966	3.0
163.04053	0.5
163.07516	2.8
167.07039	85.2
168.07372	0.7
173.05960	2.1
173.09555	0.7
175.07544	0.7
187.07562	1.3
189.05487	2.3
191.07011	7.0
195.06499	0.4
201.09073	1.3
203.07022	1.7
209.08092	4.9
214.06268	0.7
215.07005	5.3
215.17937	0.4
229.08647	2.3
231.05061	0.5
233.08008	4.7
233.19034	0.6
235.05981	0.5
245.08261	0.4
251.20013	1.0
257.08090	7.1
269.11700	9.1
269.21030	1.0
275.09158	4.5
287.12756	1.3
293.11676	0.6
303.04794	0.8
304.05276	0.8
329.12531	0.6
361.09125	1.6
379.10251	4.3
397.11258	15.3
415.12268	8.4
532.01312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.7
57.03430	6.5
57.07080	43.3
67.05521	34.4
69.07064	17.4
70.04423	28.6
71.08634	29.5
79.05489	13.1
81.03427	47.5
81.07049	45.7
83.04957	5.7
83.08617	24.3
85.02898	30.6
85.07420	5.8
85.10167	24.5
91.05476	20.8
93.07076	13.9
95.04958	24.6
95.08603	34.0
97.10166	11.6
105.07030	15.5
107.08584	6.8
109.06517	6.2
109.10191	13.3
111.08065	10.6
119.08537	5.8
121.07434	5.6
121.10146	9.3
123.11735	12.2
125.64640	5.5
129.07040	7.3
131.08534	11.4
133.10127	10.8
147.11630	5.5
157.10260	5.1
175.11198	15.0
185.96370	5.9
193.12238	52.5
211.13223	47.1
265.86243	5.4
267.16034	7.4
335.46823	5.8
336.62555	6.7
341.30798	6.0
382.93097	5.3
407.00601	6.2
551.43158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2824
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
53.03939	0.7
55.01863	0.3
57.03417	0.3
61.02944	0.4
68.99812	0.4
69.03423	1.6
69.34039	0.7
69.34459	2.2
74.17588	0.3
79.05488	0.4
81.03400	1.7
85.02899	2.3
86.09692	0.5
87.00822	1.2
91.05498	0.4
92.86989	0.3
94.88926	0.2
95.08597	0.3
97.02888	1.2
97.10143	0.3
99.04453	0.5
104.99718	0.3
105.01844	0.7
109.02884	1.4
121.02802	0.3
121.10194	0.3
124.99972	0.5
127.03923	1.8
137.02359	0.4
145.04970	0.6
153.01840	0.9
159.02893	0.5
161.05983	0.4
165.01912	0.3
184.07352	1.4
185.04277	0.5
201.05542	0.6
229.04909	0.9
257.04535	0.4
259.07855	0.5
303.04977	18.1
304.05374	1.8
333.19061	0.8
340.20905	0.3
389.22952	1.6
527.53809	0.3
551.28241	100.0
552.28711	3.5
563.75134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37511	0.3
55.01859	0.3
69.03426	0.9
79.05489	0.4
80.13322	0.3
81.03417	1.0
85.02896	1.2
87.00838	0.5
97.02902	0.6
98.20721	0.6
105.01849	0.4
105.07053	0.5
109.02881	0.7
120.99924	0.3
123.04450	0.3
127.03899	0.9
137.92757	0.3
149.06001	0.3
153.01811	0.4
153.09151	0.3
159.02901	0.6
171.92403	0.3
229.62679	0.4
259.08130	0.3
265.94495	0.3
303.04987	9.3
304.05371	0.7
333.19183	1.0
389.22934	2.0
551.28302	100.0
552.28394	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81158	0.4
52.49210	0.4
53.03943	1.3
55.01868	1.1
57.03432	1.1
61.02906	0.4
62.04002	0.5
67.05501	1.1
68.99806	1.0
69.03423	4.2
70.03131	1.6
71.04983	0.6
73.02913	0.9
81.03410	4.7
81.07057	0.7
85.02900	5.3
86.09702	1.8
87.00822	2.8
89.94090	0.4
91.49785	0.4
97.02895	2.0
99.04462	1.8
105.01885	1.3
109.02856	3.3
115.03969	0.5
117.01831	0.7
119.08572	0.5
123.04487	0.5
123.13359	0.5
125.00038	1.4
127.03907	4.3
133.10208	0.5
137.02351	1.9
145.04933	1.3
148.01784	0.5
153.01833	2.0
159.02899	2.1
163.03984	0.7
165.01872	1.3
177.01968	0.4
179.03416	1.8
180.03732	1.7
181.03836	0.5
184.07317	4.3
195.97221	0.6
201.05431	0.8
229.04987	2.5
231.04826	0.5
239.35609	0.5
247.06059	0.5
257.04553	1.3
259.07956	0.8
285.04041	0.7
303.04980	48.5
304.05377	3.5
315.19458	0.5
333.19144	1.2
389.23126	3.1
495.10873	0.6
551.28271	100.0
552.28406	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2826
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
53.03923	0.4
55.01869	0.4
57.03435	0.5
67.05496	0.5
69.03421	1.2
71.58364	0.5
81.03410	1.2
85.02898	2.2
87.00818	0.7
91.05481	0.4
93.07021	0.5
96.58925	0.3
97.02897	1.0
105.01842	0.6
109.02879	1.4
119.08573	0.4
127.03942	1.6
127.35020	0.3
137.02357	0.6
145.04959	0.5
153.01891	0.8
159.02899	1.0
201.05449	0.4
203.05244	0.8
229.05002	0.9
257.04565	0.4
259.07965	0.9
303.04999	17.9
304.05399	1.1
315.19464	0.3
333.19263	1.1
389.22873	2.3
551.28265	100.0
552.28668	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.6
55.26025	5.6
56.96560	8.5
57.03448	6.6
65.53559	6.2
67.05500	7.3
69.03420	24.2
70.06577	20.7
71.04963	8.1
71.57912	9.0
73.02895	7.4
73.91835	5.3
81.03400	18.5
81.07041	16.2
83.04965	10.4
84.08114	6.5
85.02905	66.5
86.09705	10.1
91.05457	13.1
93.07037	17.5
95.04962	33.9
95.08579	7.2
97.02883	22.2
97.06528	7.7
99.04430	9.7
107.08595	17.3
109.02866	11.8
109.06501	27.0
109.10159	12.3
109.26650	4.7
111.08070	9.4
119.08583	11.2
121.02887	10.3
121.10159	16.7
123.56398	7.5
127.03912	16.1
131.08583	13.6
133.10107	27.3
135.04373	6.9
137.02359	5.2
137.05994	8.1
145.04947	15.2
147.11690	20.4
149.13284	9.5
151.11174	8.6
153.09117	13.3
163.03842	8.9
163.05998	8.0
173.13274	17.9
189.12761	7.4
191.14465	27.3
193.05038	12.4
206.46960	5.1
209.15376	57.1
227.16432	37.6
303.04987	100.0
329.11276	11.2
375.11990	6.5
551.30841	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.28751	0.5
55.01869	0.6
60.08167	0.7
65.03934	1.0
67.05510	1.1
69.03423	3.1
69.14165	0.5
71.58545	0.9
76.00610	0.5
77.99950	0.6
79.05486	2.9
81.03408	1.0
81.07043	0.7
85.02901	1.1
86.09707	2.3
89.03915	0.8
91.05486	1.1
95.04970	1.4
95.08625	0.7
97.06544	0.6
102.94775	0.5
105.07071	0.9
107.04971	2.7
107.08643	0.8
121.02819	0.6
123.04440	4.4
124.99990	1.4
127.03938	0.8
131.01274	0.8
135.04344	1.0
137.05890	1.0
145.02855	1.6
147.57613	0.6
149.02313	7.9
161.05963	1.1
163.03903	100.0
167.03398	25.2
177.01828	19.3
181.04953	91.7
184.07312	7.0
185.07610	1.1
195.02870	11.7
205.05000	2.2
211.07498	0.8
215.07031	1.5
219.06487	3.2
221.08052	0.9
229.08636	3.6
243.06573	1.7
247.09622	3.1
257.04587	0.8
261.07483	1.0
267.06537	4.0
271.05881	0.9
281.08145	7.7
287.09128	1.8
297.07547	1.2
299.09140	10.9
303.04916	6.0
311.05502	8.1
313.07062	6.2
317.10187	16.6
329.06750	0.6
331.08112	2.8
339.04944	1.3
339.08594	13.0
357.05856	5.1
357.09616	18.6
358.10040	0.8
375.06699	0.9
375.10724	4.1
397.12744	2.1
399.91275	0.8
533.18097	1.6
551.19318	0.8
551.27887	1.8
557.86530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17735	1.7
52.15596	1.6
53.03946	2.9
55.01878	3.7
61.02902	1.7
62.85299	1.4
67.05489	1.6
68.99797	5.4
69.03419	10.9
70.06577	2.5
71.05030	2.4
71.58277	1.9
73.02921	2.5
78.31349	1.6
79.05500	3.7
81.03423	7.2
81.07063	6.1
84.08163	1.8
85.02915	17.2
87.00842	6.3
91.05479	6.6
93.07064	5.9
94.35615	1.6
95.04984	2.9
95.08636	3.2
97.02901	6.7
99.04444	2.1
103.05459	4.1
105.01866	3.1
105.07044	2.1
107.04953	1.8
109.02906	5.8
112.40746	1.4
117.06973	2.0
119.08556	1.6
120.86095	1.4
121.06512	8.8
121.10149	2.2
123.04466	5.4
127.03932	9.7
131.04944	4.2
133.06560	1.9
137.06006	4.1
141.22786	1.6
145.04991	1.7
145.06471	3.7
147.04424	3.7
149.05978	100.0
152.10637	1.3
159.02924	3.5
163.03880	1.7
167.07043	65.8
173.06015	6.7
175.07559	13.8
176.08391	1.5
191.07082	8.5
193.08618	3.8
199.07558	1.8
207.16113	1.5
215.07115	1.7
217.08499	1.7
226.34290	1.6
229.08681	1.8
233.08147	6.9
256.07159	2.1
259.09894	2.1
275.09058	2.0
283.09680	2.5
285.11179	31.9
303.04977	24.5
303.12241	13.5
309.11246	7.9
327.12375	4.3
351.12384	5.9
371.15033	3.2
389.12268	2.2
393.13617	1.8
398.74692	2.0
418.93942	1.6
435.03030	1.7
468.37869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01880	1.1
55.05515	0.8
60.08164	1.0
65.03941	1.7
67.05515	0.8
68.99785	0.7
69.03435	1.6
69.07083	0.7
70.66702	2.2
73.02886	0.6
79.05482	1.6
81.03410	1.2
81.07068	1.2
85.02902	2.3
86.09701	3.8
87.10002	0.7
91.05483	1.5
93.07063	0.6
95.04979	1.1
97.02917	0.8
97.06492	0.8
98.98402	0.6
99.04494	1.0
104.10745	4.1
105.07021	1.2
107.04970	0.9
107.08583	0.7
109.02907	1.1
109.06559	0.6
119.08571	0.9
121.02869	1.5
121.06532	1.0
123.04412	6.1
125.00008	2.0
127.03867	1.8
131.01282	1.1
133.10118	0.7
135.04393	1.1
137.02330	0.9
143.08488	0.7
145.10068	1.3
149.02324	31.0
149.05977	1.5
151.03920	0.6
153.01749	1.3
159.02901	0.9
161.02335	1.8
161.05991	2.8
163.03886	11.8
163.07547	2.4
167.03395	100.0
168.03702	1.0
171.08006	1.7
174.76250	0.7
175.03908	0.9
177.01823	80.4
178.02196	0.8
179.03337	3.0
181.04971	9.4
181.06523	1.2
184.07336	9.5
184.08963	0.7
185.07693	1.7
187.07573	0.7
195.02884	46.0
203.06885	0.8
203.10605	4.7
205.04958	7.1
206.05441	0.6
207.06383	0.8
211.07495	1.1
213.03799	1.3
213.05582	1.0
215.07066	3.2
219.06451	0.9
229.08659	3.3
241.08612	0.9
243.06496	5.5
245.07993	0.7
255.06499	1.5
257.04437	0.8
261.07553	4.3
267.06500	21.7
269.08038	1.9
271.06070	0.6
273.07529	1.4
281.08038	1.1
283.05887	0.9
295.06009	2.8
299.09192	0.9
303.04947	14.9
310.16599	0.6
311.05469	38.1
313.07040	22.1
315.08679	1.4
317.10199	2.0
319.09232	0.7
329.06406	0.8
331.08115	12.8
339.04953	6.4
339.08664	1.7
339.12250	1.1
341.10150	1.0
355.11469	0.8
357.05994	25.5
357.09753	2.0
365.10126	0.8
375.06979	5.6
377.09995	0.7
383.11261	1.3
399.10693	1.0
423.10568	1.2
515.13477	1.2
533.14392	5.2
533.30548	0.7
551.15771	0.8
551.31946	0.7
559.26874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99268	0.4
53.03947	1.4
55.01860	2.1
57.03433	1.0
58.12757	0.4
59.32866	0.5
61.02918	1.2
65.03960	0.6
67.05496	0.5
68.99786	1.5
69.03433	7.0
71.04978	0.8
73.02911	2.0
81.03425	8.5
81.07050	0.7
81.39968	0.4
83.01295	0.4
85.02905	11.6
87.00824	5.4
91.05474	0.5
95.04950	0.7
97.02900	3.3
98.20787	1.0
99.04462	2.8
105.01860	3.6
109.02881	6.2
111.00784	1.0
117.01848	1.2
119.08651	0.5
120.63322	0.4
121.02833	0.8
127.03920	8.6
129.01854	0.4
129.07002	0.4
137.02341	3.9
145.04956	2.8
147.02892	0.6
152.76303	0.4
153.01822	4.3
159.02888	5.0
161.05986	0.6
163.03931	0.8
165.01822	2.1
173.05983	0.8
183.02902	0.6
184.07349	0.7
194.23044	0.5
201.05441	2.0
229.04973	4.1
231.04976	1.2
239.03462	0.4
257.04526	3.6
274.04749	0.9
285.03934	1.4
303.04987	100.0
304.05243	1.7
345.06219	0.6
391.39474	0.5
503.99103	0.6
551.28296	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01835	1.7
55.05483	0.6
57.03391	1.1
57.48469	0.5
61.02888	0.7
65.03878	0.5
67.05464	0.5
68.99750	2.0
69.03426	6.6
70.52308	0.5
71.04971	1.0
71.19505	0.9
73.02873	1.3
75.39726	0.4
81.03414	7.0
81.07019	0.6
85.02900	11.0
86.25128	0.5
87.00824	4.4
91.03865	0.5
91.05465	0.5
97.02885	3.9
99.04421	2.3
101.81117	0.5
105.01840	3.2
105.06956	0.8
109.02258	0.5
109.02879	7.0
111.00704	0.5
117.01793	1.2
121.02824	0.6
127.03909	8.8
137.02362	3.6
145.04970	3.0
147.02838	0.8
149.02374	0.5
153.01788	3.6
159.02867	4.2
163.03818	0.8
165.01759	1.6
173.05943	0.8
183.02853	0.7
193.04965	0.5
201.05440	1.9
229.04974	4.4
231.04935	0.9
239.17488	0.5
247.06079	0.8
257.04437	3.9
274.04633	1.0
285.03836	1.2
294.14719	0.5
303.04965	100.0
304.05377	1.2
345.06384	0.6
551.28265	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1028
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03931	1.8
55.01867	2.3
57.03432	1.2
61.02919	1.0
68.99786	1.1
69.03421	5.7
70.83622	0.6
70.83968	1.0
71.04971	0.6
73.02901	1.5
81.03416	7.2
85.02902	10.2
87.00833	4.6
91.03957	0.8
93.76649	0.5
97.02876	3.2
99.04456	1.8
105.01849	2.5
109.02885	6.6
111.00778	0.7
117.01833	1.0
127.03917	10.1
129.01816	0.8
137.02333	3.2
145.04961	3.3
147.02864	1.0
152.32919	0.5
153.01810	4.0
159.02908	4.1
165.01826	2.1
183.02962	1.2
188.86844	0.5
201.05443	2.1
205.04953	0.6
224.91978	0.4
229.04990	4.2
231.05014	0.6
247.06152	0.7
257.04315	2.3
274.04761	1.0
285.03729	0.9
303.04987	100.0
304.05411	1.3
314.52148	0.4
324.47443	0.5
550.39490	0.7
551.28217	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40064	0.5
52.10309	0.4
53.03944	2.4
55.01855	1.5
57.03428	1.1
61.02916	1.7
61.94201	0.4
66.08312	0.4
68.99800	2.2
69.03432	6.6
69.86883	1.7
69.87292	1.1
71.04999	0.9
73.02902	1.9
74.50440	0.4
76.94672	0.4
81.03424	8.2
85.02902	10.8
87.00832	5.6
91.05476	0.5
97.02901	4.2
98.21481	0.5
99.04458	3.4
104.10699	0.5
105.01876	3.0
109.02879	6.8
111.00785	1.3
117.01843	1.2
121.02856	1.4
125.00018	0.5
127.03905	8.6
129.01868	0.5
137.02344	4.0
145.04980	2.5
147.02882	0.8
153.01820	3.5
154.61162	0.4
159.02892	4.0
163.03883	0.6
165.01828	2.1
166.02605	0.5
183.02884	0.7
184.07332	0.9
187.03973	0.6
201.05502	1.7
219.06544	0.4
229.04994	5.1
231.05049	1.2
249.60596	0.4
257.04517	3.0
274.04828	0.9
285.03989	1.1
303.04996	100.0
304.05325	2.0
345.05914	0.5
428.14297	0.5
551.29626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95759	0.5
53.03940	2.4
55.01873	2.5
55.05496	0.6
57.03416	1.5
61.02915	1.8
62.72940	0.5
67.05490	1.2
68.99778	1.8
69.03426	7.8
69.07059	1.2
70.06580	1.9
71.04982	1.5
71.57936	0.7
72.08150	0.9
73.02908	1.5
79.05485	1.4
81.02979	0.8
81.03414	9.8
81.07055	2.5
83.04975	0.7
84.08131	1.7
85.02904	13.4
85.06543	0.7
86.09676	0.6
87.00822	4.7
87.04472	0.6
88.71228	0.4
91.03947	0.5
91.05470	2.2
93.07052	2.6
95.04971	1.2
95.08598	1.7
97.02895	4.8
97.06522	0.7
99.04460	2.6
105.01869	3.2
105.07014	1.6
107.04961	0.8
107.08586	1.5
109.02871	7.8
117.01852	1.1
117.07018	0.7
119.08572	2.5
120.08115	0.6
120.08889	0.6
121.02834	1.0
121.06516	0.7
121.10133	1.0
123.08073	0.6
127.03926	9.9
129.01852	0.8
131.04924	0.6
131.08556	0.7
133.06438	0.6
133.10130	1.1
135.04378	1.1
137.02318	4.1
137.05969	2.1
143.08490	0.5
145.04962	3.6
145.07581	0.7
145.10123	1.0
147.02910	1.0
147.04362	0.6
147.11682	3.0
148.12012	1.2
149.02371	0.6
149.05928	1.4
149.09644	0.6
151.03897	0.8
153.01834	4.5
154.25574	0.5
159.02895	4.4
161.05991	3.1
163.03894	2.6
163.11115	0.8
165.01819	2.1
165.12752	1.4
166.13145	0.7
167.07053	2.2
173.13252	0.6
174.13672	0.5
175.14903	2.3
176.15140	1.1
177.05418	0.7
179.06985	2.9
181.04924	2.1
181.12314	0.5
183.02765	0.5
186.01875	0.5
191.10760	0.7
201.05463	2.0
207.13815	0.8
229.04977	4.4
231.05023	1.1
257.04456	2.2
267.19647	1.0
274.04538	0.8
285.03998	1.1
285.20398	0.9
286.90555	0.5
303.04987	100.0
304.05362	1.6
325.10587	0.7
345.05988	0.9
388.26941	0.7
389.12506	0.8
397.75900	0.5
490.30109	0.6
550.32562	2.3
551.20941	2.1
551.32819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1029
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03931	1.8
55.01856	2.0
57.03428	1.7
57.46182	0.4
61.02901	0.9
68.99777	1.3
69.03426	5.2
70.64177	1.8
71.04972	0.6
71.64883	0.4
73.02913	1.7
81.03414	7.7
85.02901	11.2
87.00837	4.3
97.02905	3.3
99.04472	2.2
105.01875	2.7
109.02879	6.2
111.00790	0.9
117.01854	1.4
121.02879	0.9
127.03924	9.1
129.01840	0.6
137.02383	2.4
145.04945	3.0
145.06012	0.4
147.02922	0.6
153.01810	3.3
159.02916	4.4
163.03853	0.8
165.01845	1.3
201.05533	2.2
209.60597	0.5
229.04982	3.8
231.05016	1.3
247.06029	0.6
257.04471	2.7
274.04697	0.7
285.03879	1.0
303.04990	100.0
304.05283	0.9
345.05862	0.5
454.36951	0.5
471.47171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
57.03410	0.8
61.02918	1.3
68.99792	1.0
69.03137	0.5
69.03434	6.0
70.06605	0.8
70.71879	2.0
71.04971	1.1
81.03409	4.2
83.01322	0.6
84.08109	0.8
85.02904	6.3
87.00813	2.1
93.07053	0.8
95.04929	0.9
97.02897	14.3
99.04433	2.7
105.01850	1.2
105.07003	0.9
109.02886	3.3
109.85040	0.6
111.00802	0.8
112.04000	0.6
113.01915	0.5
121.02846	1.2
127.03920	4.8
137.02324	4.3
145.04948	5.6
147.38564	0.6
153.01833	4.6
159.02875	0.9
165.01808	2.3
183.02922	0.8
195.02840	0.6
201.05438	1.3
201.77458	0.6
206.34772	0.6
229.05003	4.8
247.06137	0.9
257.04410	2.2
274.04657	0.6
285.03900	1.7
292.06439	0.7
303.04987	100.0
304.05362	2.5
326.48969	0.6
368.86276	0.6
371.26648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1031
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03931	1.9
55.01863	1.6
55.05502	0.6
57.03403	1.0
58.06617	0.5
60.71839	0.5
61.02904	0.6
68.99772	1.7
69.03427	6.2
70.06576	1.1
71.04982	0.7
71.57801	0.9
72.08139	0.6
73.02557	0.5
73.02897	2.4
81.03417	7.9
81.07057	1.2
83.04968	0.6
84.08145	0.8
85.02428	0.9
85.02902	10.7
85.08910	0.7
86.09708	0.7
87.00823	4.5
91.03889	0.5
91.05470	0.8
95.08600	0.6
97.02884	4.2
99.04433	3.3
105.01851	2.2
106.89982	0.5
107.04942	1.4
109.02870	6.2
109.10114	0.6
114.12816	5.6
115.13150	3.4
117.01836	0.8
119.08567	0.7
120.22577	0.5
121.02888	2.4
126.08962	0.4
127.03912	9.3
129.01811	0.5
135.04414	0.6
137.02362	1.4
137.05939	1.0
145.04953	2.3
145.06445	0.7
147.04314	0.5
149.06020	0.7
153.01868	1.5
155.04922	0.8
159.02873	4.2
163.03909	1.2
165.01814	0.7
167.07111	0.8
169.01341	2.6
173.05975	1.0
179.03358	0.5
185.13037	0.5
187.03964	0.6
197.12994	0.6
201.05417	1.2
209.99673	0.5
217.55724	0.5
229.04996	1.3
231.04929	0.9
257.04486	1.2
267.46387	0.5
274.04694	0.8
275.05698	0.6
285.03879	1.1
287.05481	0.7
303.04977	100.0
304.05426	0.9
389.07758	0.6
550.35211	0.5
566.13379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01857	1.5
55.05510	4.9
57.03430	2.2
67.05505	6.5
67.51992	0.9
68.99805	0.8
69.03423	5.4
69.07067	9.7
70.71386	1.0
70.71713	1.9
71.04984	0.9
79.05495	6.2
81.03432	4.4
81.06600	1.2
81.07061	16.8
83.04967	2.9
83.08639	1.1
85.02911	8.8
85.06540	1.3
87.00851	1.1
91.05471	3.8
93.07033	11.2
95.04942	3.9
95.08610	8.0
97.02886	3.0
97.06510	4.3
97.10151	1.9
99.04445	1.8
104.10723	3.5
105.01890	2.2
105.07012	4.1
107.08572	3.5
109.02853	2.7
109.05795	2.0
109.06519	35.7
109.07264	2.0
109.10163	5.8
111.08015	1.0
111.11737	1.8
117.07034	0.8
119.08578	4.2
121.10142	9.5
123.08116	1.1
123.11711	0.9
125.00009	1.2
127.03925	5.2
129.06981	1.3
131.08591	1.8
133.10161	4.2
135.04504	1.0
135.08067	1.9
135.11673	2.5
137.05980	25.2
137.09636	1.6
139.07506	1.9
139.11198	9.4
143.07047	1.1
143.08614	0.9
145.04974	1.5
147.08037	2.2
147.11720	1.7
149.13228	1.7
157.10081	3.2
159.02867	1.8
159.11682	1.8
161.13228	1.2
163.07472	1.3
165.05374	0.9
165.09105	5.3
167.07074	1.0
167.14342	2.4
171.11705	2.8
173.13223	0.9
175.11214	1.1
177.92328	0.9
183.10191	1.2
184.07329	3.2
189.16335	3.7
193.12218	1.5
213.16364	6.5
221.19012	1.3
231.17444	4.7
249.18500	29.4
258.10919	1.4
265.27261	1.3
267.19559	100.0
284.28595	1.2
285.20572	8.6
301.29147	0.9
303.04913	2.7
335.22134	1.1
390.53799	0.9
402.63867	0.9
495.63904	0.9
506.35925	2.4
550.35095	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05499	1.9
56.05013	1.0
57.03428	0.7
58.90873	0.9
65.03942	1.1
67.05494	3.1
69.03418	2.2
69.07063	1.2
70.06599	1.9
71.03618	1.6
74.06084	1.0
79.05489	3.7
81.03395	2.3
81.07051	3.4
82.06570	1.0
85.02907	4.9
86.03265	0.9
87.99408	0.7
91.05468	11.7
93.07040	1.7
95.04974	1.0
95.08600	2.1
96.08117	1.2
97.02887	1.4
105.07021	10.9
107.08588	3.2
115.05481	1.6
116.06279	1.4
117.01173	0.8
117.07017	4.9
119.08578	15.5
121.10140	2.8
123.07999	1.2
127.08659	3.5
128.06212	2.1
129.06989	8.0
130.07767	3.0
131.08565	24.3
133.10155	7.9
135.08026	1.0
135.11652	0.9
137.07935	0.9
142.07727	1.1
143.08557	19.9
144.09337	4.8
145.04990	1.2
145.10132	14.8
147.11687	2.6
149.13298	1.1
151.07582	0.9
157.10172	1.9
158.10910	16.8
173.13252	100.0
174.13704	1.1
175.14812	10.1
180.25352	0.8
188.64444	0.9
189.08733	1.0
191.14291	19.4
203.08469	1.2
207.13823	1.9
208.14114	1.6
209.15323	1.3
217.08182	1.4
250.21663	1.6
310.23932	1.1
330.16818	1.3
472.28787	1.7
490.29947	2.2
550.24957	1.1
550.32410	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79821	2.9
57.03417	3.4
69.03416	7.7
71.49108	6.2
85.02905	18.2
85.03355	3.1
97.02879	9.0
98.97569	4.0
107.04944	4.7
109.02866	2.9
123.04352	3.6
127.03901	3.3
135.04419	16.3
139.03859	4.7
145.02834	9.1
147.04405	7.7
149.02345	4.0
153.05461	98.9
157.48947	3.5
161.01247	3.4
163.02554	5.4
163.03893	100.0
177.05463	4.3
179.03450	3.4
181.04988	4.5
195.06526	70.2
203.03383	57.4
215.03352	8.8
231.02896	8.4
233.04597	5.0
252.51180	3.3
261.04099	8.0
279.05045	14.7
283.34473	3.4
284.49576	3.4
291.04987	13.7
303.04907	7.0
321.06039	9.0
339.07083	65.3
507.96030	3.4
568.84955	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28143	3.5
53.02624	3.2
53.03944	4.0
54.18790	3.2
55.05511	30.0
57.66861	3.5
67.05502	36.7
69.07063	21.8
71.04988	4.6
71.38783	7.9
77.37851	3.7
79.05493	20.9
81.07063	37.3
83.05006	6.8
83.08615	10.5
91.05477	20.1
93.07043	34.9
95.04976	5.5
95.08607	29.4
97.10164	16.2
105.07014	15.6
107.08590	15.5
109.10154	11.8
117.07014	6.3
119.08588	14.5
121.10110	13.3
123.11717	4.3
125.09619	5.9
129.07022	8.6
131.08549	12.2
133.10170	17.3
135.08028	4.3
135.11700	6.6
141.07025	4.5
143.08549	13.1
143.47751	3.8
145.10138	28.6
145.73448	3.8
147.11671	4.8
149.09673	6.9
155.08624	8.6
157.10103	11.4
159.11656	23.2
161.13255	3.7
165.07001	6.3
167.08624	7.0
169.10153	11.0
171.11690	10.4
179.08565	9.9
180.09372	4.8
181.10103	14.5
181.11566	3.7
182.10880	4.3
183.11703	15.3
185.13188	7.2
186.77335	4.5
193.10139	16.5
195.11703	26.4
197.13321	8.4
205.10109	6.0
207.11688	18.5
208.12502	4.5
209.13321	18.1
211.14929	4.8
219.11691	7.2
221.13243	13.4
223.14815	12.3
233.13165	5.9
235.14771	11.7
237.16380	7.6
249.16422	6.3
251.17810	5.1
257.19012	5.5
263.17963	5.1
272.39026	4.4
275.20108	7.9
277.19229	4.1
321.22092	6.5
337.21671	6.9
351.23459	7.3
363.27026	5.7
365.24597	6.7
389.28479	6.9
407.29556	5.7
443.29205	5.1
469.02377	4.1
513.37103	18.2
531.38531	41.1
549.39734	100.0
549.48285	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57197	1.8
53.03942	2.6
55.01860	4.6
57.03427	8.6
61.02919	8.7
67.05496	2.3
69.03427	25.5
69.07070	2.5
71.04993	3.2
71.57190	3.6
73.02916	5.2
79.05482	3.1
81.03424	11.9
81.07053	5.9
83.04964	3.7
85.02900	66.4
85.06554	5.3
87.04458	5.2
91.03944	2.4
91.05473	8.9
93.07042	4.6
95.04971	6.9
95.08619	4.3
97.02890	27.1
97.06480	2.4
99.04464	6.2
99.17199	1.7
105.07012	13.1
107.08603	7.7
109.02901	7.1
109.06525	8.2
109.10189	2.0
115.20658	1.9
117.07022	2.2
119.08563	12.4
121.06470	9.4
121.10140	6.7
123.08064	23.3
125.06002	2.7
127.03912	18.7
131.08560	6.8
131.27061	1.7
133.06480	2.4
133.10114	6.4
135.08105	3.4
135.11682	6.4
137.05986	4.7
143.08517	3.0
145.04948	19.8
145.10120	8.6
147.08067	3.7
147.11670	5.4
149.09633	4.5
151.07538	32.5
151.08662	2.7
159.08022	2.5
161.13266	2.4
163.11160	35.3
165.08966	2.0
171.11722	2.7
173.13196	2.9
174.10437	6.4
181.12224	21.2
189.12733	100.0
190.13031	2.4
191.14287	15.4
207.13780	38.1
223.13361	4.7
225.14937	5.1
269.34116	1.9
287.18582	1.9
295.51010	1.8
316.78146	1.9
334.10358	1.8
334.15146	1.9
364.28406	1.9
369.14615	4.0
369.19104	63.9
387.20432	2.5
549.25488	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01873	4.6
55.05507	2.4
56.53332	1.3
57.03439	12.3
57.07077	1.7
59.05000	1.6
61.02924	11.5
67.05503	5.1
69.03427	31.7
69.07073	2.2
70.06582	3.7
70.12148	2.1
70.12562	4.5
71.04993	5.2
73.02918	4.5
78.13354	1.1
79.05495	3.7
81.03419	14.5
81.07061	6.8
83.04977	2.8
83.08587	1.7
85.02904	100.0
85.06554	2.9
86.09712	2.2
87.04465	4.8
91.03960	5.1
91.05476	7.8
93.07017	6.9
95.04961	3.3
95.08611	7.7
97.02889	35.5
97.06535	3.9
99.04451	6.1
101.02354	1.3
105.07027	9.0
107.04931	1.5
107.08559	6.0
108.05725	1.8
109.02876	11.7
109.06512	7.3
109.10143	2.3
117.07000	1.3
119.08554	5.6
121.06492	4.8
121.10134	5.3
122.03726	1.2
122.07338	1.9
123.08060	44.2
123.08960	2.3
125.05969	2.4
127.03916	28.1
127.04813	2.3
127.06626	1.2
131.08556	3.8
133.06485	3.5
133.10112	8.7
133.73357	1.1
135.08115	1.6
135.11668	1.4
137.06010	4.4
137.09619	1.6
145.04956	37.5
145.10150	3.4
147.08035	2.5
147.11702	4.4
149.09634	3.2
151.07542	80.2
151.11200	2.1
153.09116	4.5
156.09361	3.0
156.21393	1.3
161.13284	2.3
163.04138	1.1
163.06038	4.9
163.11182	21.4
165.12753	1.6
167.07045	2.9
169.08510	1.3
169.29141	1.1
171.06563	1.3
173.13318	1.8
177.12784	2.3
181.12222	7.4
189.07518	2.5
189.09087	1.3
189.12743	16.2
191.14328	5.3
207.13791	73.0
208.14319	1.3
209.15384	7.5
223.13255	2.6
225.14795	10.6
299.10486	1.3
313.12228	1.3
342.12131	1.6
357.13306	1.5
369.19107	4.3
387.20013	6.9
517.14539	4.1
531.24225	2.8
549.25616	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01861	2.6
55.05503	1.5
57.03436	1.4
63.62896	1.3
67.05494	3.2
69.03431	6.7
69.07059	3.4
69.46803	12.8
71.04990	2.7
79.05484	5.1
81.03406	4.5
81.07034	3.8
85.02909	8.2
85.06553	6.5
87.00826	3.5
91.05470	5.3
93.07050	4.2
95.04939	2.7
95.08595	5.0
96.45948	1.4
97.02875	2.4
97.06572	2.4
98.20701	1.7
103.05476	4.9
105.07010	12.2
107.04944	3.0
107.08584	4.4
109.02876	4.7
109.06549	1.4
109.10164	2.4
113.06036	2.0
119.08527	1.4
121.10152	2.3
123.04406	2.1
127.03910	7.0
131.04927	3.7
133.06494	6.0
133.10127	1.7
135.04419	1.5
135.11658	2.2
137.05943	5.1
151.03893	2.6
153.44749	1.5
159.11705	3.4
160.11983	1.9
163.03911	11.7
163.07529	100.0
164.37999	1.5
175.07491	1.4
181.04916	8.8
181.08577	23.1
181.10030	2.2
246.22899	1.7
267.07242	1.5
281.24698	3.6
282.25226	1.7
283.13199	10.3
297.11426	1.5
345.11493	1.6
355.07944	2.4
517.18420	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
54.69216	0.3
55.01862	0.9
55.05497	0.4
67.05521	0.7
69.07053	0.3
70.31224	0.8
70.31622	0.6
76.22842	0.3
76.51089	0.3
77.03928	0.3
79.05481	1.1
81.03419	0.8
81.07079	0.5
85.02896	0.8
91.05476	0.8
95.01301	1.1
95.04982	2.0
97.06533	0.3
98.20760	0.3
105.03381	3.7
107.04192	0.3
107.04944	1.1
107.25217	0.3
109.02841	0.4
117.07009	0.3
121.10173	0.4
123.04419	4.8
125.07661	0.2
133.02852	2.6
141.01823	0.3
150.03120	0.4
151.03903	4.6
161.02333	16.0
161.05986	0.7
163.03819	0.5
163.07590	0.5
167.03407	0.7
179.03384	100.0
180.03700	0.8
181.04924	0.5
187.07559	0.3
189.01848	0.4
189.05510	0.4
203.07011	0.4
219.06570	2.1
221.07887	0.5
227.07034	1.4
229.08574	0.9
245.08070	5.1
255.83536	0.4
259.09772	0.3
271.09750	0.3
287.09128	1.1
297.07547	4.2
309.07382	0.7
315.08615	9.4
325.07034	0.5
326.08209	0.3
349.24002	0.3
355.08118	9.9
355.12314	0.7
373.09262	3.1
397.13031	1.4
402.78406	0.3
458.34308	0.3
531.15790	0.5
549.17877	0.4
549.48584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
53.04165	0.3
55.01859	1.5
55.05508	1.7
55.32747	0.3
57.03439	0.9
65.03944	0.5
67.05501	2.3
68.05844	0.5
68.99794	0.9
69.03429	10.0
69.07072	1.7
69.93144	1.0
69.93556	1.1
70.06594	2.2
71.01328	0.6
71.04986	1.1
73.02903	1.3
77.03933	0.4
79.05492	3.3
81.02986	0.6
81.03423	8.1
81.07047	2.8
82.07378	0.3
83.04962	0.4
83.08607	0.6
85.02905	10.9
85.06542	0.6
86.03236	0.5
86.66441	0.3
87.00829	4.0
89.03915	0.6
91.05488	1.8
93.07019	1.9
95.04970	1.3
95.08598	1.9
96.08113	1.5
96.08932	0.6
97.02889	4.1
97.06454	0.5
97.10172	0.6
98.09695	0.4
99.04454	3.0
99.72297	0.3
103.03956	0.5
105.01867	1.7
105.07042	1.6
107.04953	2.4
107.08578	0.9
109.02876	6.2
109.06553	0.6
109.10149	1.4
111.04462	0.5
114.09140	0.7
115.09486	0.3
117.01851	0.7
119.04937	2.1
119.08570	0.7
121.06513	0.4
121.10135	1.0
123.04471	0.6
123.11675	0.4
127.03922	7.2
128.04250	0.6
129.01855	1.0
131.04984	0.4
131.08609	0.8
133.10130	0.5
135.04369	0.9
135.11682	0.5
137.05986	1.2
137.09715	0.5
139.28792	0.4
141.07069	0.3
145.02837	1.3
145.04967	2.2
147.04402	6.3
147.11710	0.4
151.03937	0.4
159.02884	2.6
159.11725	0.4
161.05981	0.7
163.03899	100.0
164.04243	0.9
167.07042	0.9
171.11632	0.5
175.74031	0.4
179.07091	0.4
181.04948	28.5
187.06056	0.4
205.04979	0.5
213.03925	0.4
225.34938	0.4
231.05170	0.4
237.09067	0.4
264.26852	6.4
265.08661	0.8
265.27252	4.4
268.07187	0.9
282.27936	4.7
283.09647	32.4
283.28210	3.5
284.09924	0.6
300.28973	4.9
301.10690	48.2
301.29279	3.3
302.11176	0.7
342.29935	0.4
343.30423	0.5
349.10828	0.4
383.46652	0.4
441.82895	0.5
463.34549	0.6
487.34470	0.5
504.35394	2.9
505.35645	5.6
517.18652	0.7
548.34357	5.0
549.34692	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
51.93521	1.1
53.03938	1.7
55.01859	2.6
57.03444	1.5
67.05489	2.4
68.99778	2.0
69.03434	10.6
69.71828	2.6
69.72221	8.5
79.05493	2.1
81.03404	6.0
85.02898	13.2
87.00836	3.9
88.82880	1.0
91.05477	5.3
93.07024	1.9
95.01325	2.0
95.04942	3.7
95.08603	2.2
97.02891	4.4
105.07031	1.6
107.04929	4.0
109.02892	3.6
114.12778	2.6
115.05445	2.1
117.06998	6.5
119.04925	4.0
121.06485	2.3
123.04417	23.5
127.03939	6.0
128.09383	1.2
129.01849	1.4
131.04929	3.1
133.06462	1.6
135.04359	2.3
137.05948	3.1
144.85814	1.2
145.04910	1.7
145.06511	5.9
147.04405	55.8
148.05197	2.0
148.45677	1.5
149.05989	20.4
150.75690	1.4
154.07843	1.2
155.04904	2.8
159.02869	1.9
159.04428	1.4
159.08032	2.0
161.05956	8.2
163.03905	4.8
167.07016	3.4
167.08527	1.3
171.04428	2.7
171.08119	1.7
173.05980	41.2
174.06711	4.5
181.06512	2.4
185.06024	1.7
187.07536	10.9
189.05453	3.2
191.07024	5.8
191.08545	2.1
197.05939	3.7
199.07600	2.4
201.09261	1.5
209.06061	1.3
209.09555	2.1
211.07570	2.8
212.08342	1.9
213.05539	2.0
213.09055	3.2
215.06978	5.0
215.10750	1.7
223.07602	2.2
225.09111	2.5
226.06247	2.2
227.10811	1.8
233.08022	1.9
237.09106	3.7
239.07013	2.0
240.07771	1.7
253.08559	3.4
255.10133	11.8
257.08203	1.8
262.09579	1.3
265.08630	4.7
266.09433	1.8
268.07294	4.6
279.10226	1.8
281.08002	4.6
283.09641	100.0
284.09937	2.6
295.09628	4.6
301.03580	3.0
301.10687	98.9
302.11060	1.8
307.09619	17.4
313.10806	1.3
325.10678	17.8
343.11728	14.1
343.32596	1.4
349.10632	8.4
367.11557	5.8
373.10587	2.9
391.11829	7.3
402.53949	1.3
495.12943	2.7
513.13983	2.6
531.14886	4.8
537.04004	1.3
549.15735	2.6
549.30640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
57.03420	1.5
60.08155	6.8
63.81063	1.6
65.58970	1.3
67.05503	13.2
68.04990	1.4
69.07063	2.3
71.07381	2.8
71.58943	1.4
79.05508	2.5
81.07053	1.8
82.06557	3.7
83.07360	1.8
86.09708	21.6
90.18402	1.3
91.05482	2.9
92.84848	1.5
93.07046	5.6
95.08611	6.0
104.10737	39.2
119.08593	2.7
124.11228	100.0
125.00001	14.3
130.91806	1.4
142.12277	5.8
149.80962	1.2
156.56981	1.3
163.64845	1.4
184.07324	35.6
222.08876	3.8
267.75500	1.2
281.13272	1.4
548.37360	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50700	5.4
53.03935	10.8
55.01873	8.3
55.05510	33.5
57.03423	12.2
61.02916	8.0
67.05499	100.0
69.03412	12.3
69.07059	35.9
71.04984	7.0
71.58639	9.5
79.05489	66.2
81.03394	11.6
81.06597	5.9
81.07054	84.6
83.04951	6.5
83.08625	29.5
84.21461	5.1
85.02895	15.0
89.50751	5.3
91.05476	43.3
93.07043	78.4
95.04937	14.1
95.08601	64.5
97.02837	12.1
97.06498	15.9
97.10164	21.7
105.07026	45.3
107.08580	55.0
108.82075	6.3
109.02876	7.4
109.06495	9.9
109.10155	60.8
111.08041	7.9
113.51961	5.1
115.05413	6.9
115.06169	4.9
117.07001	15.8
119.08587	40.5
120.16988	5.3
121.10127	42.7
121.10957	8.2
122.80674	5.4
123.08030	7.3
123.11678	8.1
125.09616	15.5
127.03903	23.8
129.07016	7.4
131.08536	25.1
133.10124	37.6
135.11668	24.6
135.52722	5.1
136.68222	5.0
137.02280	14.4
142.07552	5.1
143.08549	7.8
145.10127	17.6
147.11685	35.3
149.13239	20.7
157.10126	10.7
159.11697	17.7
161.13249	17.2
162.50354	5.6
163.32091	6.2
165.12648	7.2
171.11647	13.2
171.22755	6.4
173.11809	13.7
173.13214	13.2
175.14774	12.6
179.14320	15.7
185.13208	13.2
189.11168	12.8
193.15866	8.0
199.14685	8.9
213.16356	8.8
227.12761	12.1
229.06921	6.6
229.14296	19.5
241.19461	15.8
259.20544	47.4
277.21570	68.8
281.83533	6.1
351.25381	80.4
375.21304	6.0
396.09482	6.7
407.30814	17.6
422.25864	5.6
459.32275	5.7
548.13971	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12477	8.2
55.05498	27.0
57.03426	32.5
61.02894	9.7
66.75994	8.0
67.05511	68.1
69.07066	16.5
71.04983	8.6
71.58015	14.0
76.00612	7.7
79.05488	84.4
79.91194	8.3
81.03399	8.3
81.07053	73.5
83.04949	10.3
83.08592	15.8
91.05479	64.5
93.07036	75.9
95.04969	18.8
95.08596	58.4
97.06472	8.1
98.88244	7.5
101.25194	8.3
105.07030	51.8
107.08614	46.8
109.06512	8.2
109.10141	29.9
117.07017	18.7
119.08559	45.4
121.10104	38.4
121.76155	7.8
125.09645	12.8
127.09570	7.5
131.08556	26.1
133.10173	40.3
135.11665	27.3
145.10107	31.6
147.11688	33.3
149.13228	23.1
157.10124	10.4
159.11682	15.5
161.13248	16.4
171.11742	14.3
173.13248	20.0
187.14812	20.3
241.19572	17.0
259.20663	38.3
269.17252	11.7
277.21619	47.3
338.60257	10.9
351.25311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05508	13.1
56.05024	2.6
57.03423	3.6
57.71014	1.3
58.06586	2.3
61.02905	2.5
67.05502	15.8
69.03423	16.6
69.07063	15.2
69.75430	1.3
69.87058	6.4
70.06578	6.2
71.05004	1.9
72.08138	1.4
73.02911	2.5
74.06076	5.0
79.05479	4.8
81.03408	14.2
81.07046	12.5
82.06574	1.3
83.08591	5.0
84.08121	7.6
85.02900	25.9
93.07052	3.4
95.08598	13.6
96.08127	7.6
97.02885	10.7
97.10164	2.1
98.09698	7.7
99.04463	3.6
103.03952	2.4
105.01849	1.6
105.07027	2.4
107.08597	2.6
109.02853	12.3
109.10143	6.4
110.09698	2.5
112.11209	1.3
113.46511	1.4
114.09162	6.2
121.10150	1.5
127.03906	18.3
138.12776	2.3
145.04994	3.3
152.14403	1.4
163.07533	22.3
164.07872	12.4
175.96347	1.2
187.06058	3.6
189.09138	2.1
234.72836	1.4
236.23770	3.9
256.84552	1.2
264.26843	67.8
282.27881	55.4
300.13220	1.7
300.28943	66.3
342.29898	8.2
462.34299	4.0
486.34241	4.6
504.35245	59.8
548.34235	100.0
549.34491	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01864	1.4
55.05508	10.6
57.03431	4.3
57.07068	1.1
58.06595	2.1
61.02916	2.7
67.05163	1.7
67.05499	14.7
69.03424	16.9
69.07064	9.6
70.06590	19.6
71.01337	1.4
71.02517	1.9
71.02847	1.0
71.04984	3.9
73.02901	4.3
74.48411	0.9
79.05494	4.4
81.03416	15.0
81.07059	14.9
82.06581	2.0
83.08606	3.7
84.08128	2.3
85.02904	29.8
87.00842	2.7
91.05480	1.2
93.07046	4.1
95.04933	1.2
95.08604	14.0
96.08120	8.6
97.02892	11.2
97.10171	1.2
98.09675	5.4
99.04432	5.0
103.03958	4.2
105.01840	1.1
107.08613	2.6
107.44809	1.2
109.02877	14.8
109.10149	5.5
110.09693	2.8
113.31807	1.0
114.09148	6.0
121.10149	2.3
125.40797	1.0
127.03924	19.1
138.12668	1.6
145.04968	2.7
147.04410	1.7
152.14357	1.5
163.03899	28.5
163.05237	1.8
181.04935	8.1
187.06033	4.0
205.07108	2.1
236.23674	1.1
249.16521	1.0
264.26862	75.2
265.27338	2.1
282.27887	51.8
283.09570	8.2
300.28952	50.6
301.10641	13.4
324.29016	1.1
342.30081	5.7
351.52716	1.1
351.57211	1.0
395.87311	1.4
398.74518	1.1
462.34348	2.8
486.34241	3.8
504.35291	51.1
530.33099	1.2
548.34296	100.0
549.34424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	4.6
60.08158	1.8
67.05488	0.2
69.03418	0.4
69.06722	0.3
69.07068	3.1
70.06586	1.4
70.62098	0.3
70.62455	0.6
71.07358	0.2
72.08148	0.7
73.15899	0.2
81.07045	0.3
83.04959	0.5
84.08137	1.9
85.08920	4.8
86.09708	2.3
86.75466	0.2
89.07149	0.2
97.02863	0.2
107.08563	0.2
109.02805	0.2
114.12801	100.0
114.55338	0.2
115.13141	0.6
117.07031	0.3
119.04923	0.2
147.04454	0.3
147.11754	0.2
161.09555	0.3
177.09082	0.2
179.07010	0.3
189.09123	0.3
190.12337	0.2
202.12332	0.3
231.09897	0.2
248.12996	0.2
484.52856	0.2
488.27472	0.8
502.29279	0.4
519.35516	0.7
547.34839	6.1
548.35413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.1
55.01871	16.8
55.05507	20.1
57.03440	13.9
57.07069	7.6
58.18572	1.9
58.89365	1.9
61.02915	7.3
67.05501	38.6
68.99784	6.4
69.03427	52.5
69.07056	29.1
69.47784	17.4
71.04994	24.3
71.08618	2.2
73.02902	8.4
79.05495	22.4
81.03415	50.2
81.07053	43.4
83.04980	20.2
83.08620	14.8
85.02901	100.0
85.06539	79.2
85.07079	2.4
85.10141	2.4
87.00819	39.3
91.03957	2.4
91.05470	13.1
93.07042	31.8
95.04948	12.8
95.08607	54.3
97.02892	30.4
97.06533	22.4
97.10156	12.0
98.20813	4.4
99.04451	16.7
105.01858	26.3
105.07015	19.2
107.08582	20.1
109.02135	2.7
109.02877	42.6
109.06511	4.0
109.10152	25.4
111.08073	10.7
111.11711	3.5
113.06006	41.3
117.01855	4.7
119.08582	10.5
121.10155	21.6
123.08069	6.7
123.11709	10.4
125.09619	2.1
127.03912	68.8
129.01819	7.4
129.12767	2.2
131.08578	5.3
133.10147	17.6
135.11673	24.7
137.13252	4.3
141.09100	8.4
145.04968	18.9
145.10129	2.3
147.02875	4.1
147.11665	14.2
149.13226	10.5
151.11134	2.5
151.14793	3.3
153.12706	2.6
158.45483	2.1
159.02878	23.1
161.13246	6.5
163.03900	4.8
163.07607	4.1
163.14819	7.6
165.12779	2.4
165.16365	6.9
175.14958	4.4
189.16386	5.0
191.17900	2.1
205.19493	13.3
213.03842	3.1
223.20561	46.7
229.19516	2.7
231.05029	9.3
245.22655	52.5
246.23001	2.2
247.20566	3.8
263.23645	19.6
278.49725	2.0
281.11682	2.9
281.24741	96.1
282.25089	3.1
287.23923	2.2
299.12759	3.2
299.25827	10.4
305.24643	4.9
323.25812	3.6
547.21527	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.8
55.01873	19.7
55.05512	23.1
57.03431	15.5
57.06810	3.3
57.07069	11.3
61.02922	8.1
67.05501	40.8
67.58629	3.1
68.99788	5.6
69.03429	54.5
69.07070	27.0
69.24341	18.1
69.24770	18.8
71.04995	29.3
71.08626	4.9
73.02917	7.6
79.05491	28.5
81.03418	45.0
81.07055	52.8
83.04970	22.3
83.08624	20.0
85.02905	100.0
85.06544	77.6
87.00827	38.2
91.05479	20.6
93.07054	32.5
95.04963	12.2
95.08607	51.0
95.97533	3.6
97.02893	28.7
97.06528	19.1
97.10175	14.0
97.29340	3.3
99.04462	16.2
103.64061	3.1
105.01866	32.3
105.07026	20.4
107.04964	6.7
107.08597	21.5
109.02875	40.9
109.10140	30.1
111.04477	3.2
111.08086	13.8
111.11734	5.3
113.06019	45.1
119.08567	11.1
121.10142	26.3
123.04385	3.9
123.08067	8.2
123.11673	10.9
125.09660	5.8
127.03921	59.3
129.01840	4.8
133.10146	17.5
135.11664	25.2
137.13275	4.9
141.09081	9.6
145.04951	19.9
145.10136	4.0
145.84671	3.1
147.11671	19.0
149.05997	4.3
149.13251	13.4
151.11134	3.2
153.12718	3.5
159.02873	15.8
161.06023	4.5
161.13269	7.8
163.03874	8.2
163.07542	19.8
163.14798	4.5
165.16418	7.0
175.14857	6.1
189.16367	4.2
191.17879	4.4
205.19521	22.3
223.20572	46.0
231.05006	13.7
245.22641	46.2
260.60083	4.0
263.23688	14.8
281.24719	83.2
299.25952	7.9
300.42520	3.1
355.15204	4.1
367.11722	3.5
367.17764	5.2
401.86935	3.7
547.33356	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01872	12.6
55.05500	3.0
65.03927	10.8
67.05499	7.7
69.03413	5.9
69.07059	2.8
71.58334	3.7
74.29406	2.6
78.35606	2.4
79.05476	8.7
81.03403	4.4
81.07047	7.5
83.08605	3.6
85.02891	5.6
91.05490	13.9
93.07055	3.8
95.04950	7.2
95.08577	4.6
97.06559	4.5
102.04690	4.5
103.05455	8.4
104.08926	2.4
104.28288	2.6
105.07026	10.0
107.04953	4.3
107.08572	3.1
109.02883	3.7
109.06480	3.4
110.03650	9.8
111.04419	13.2
114.68347	3.0
115.05461	4.3
119.04867	2.7
119.08607	2.8
121.02880	6.1
121.06502	2.8
121.10132	3.9
121.99699	3.1
123.04419	5.2
125.05993	9.1
130.04120	4.5
131.04871	5.4
133.06483	3.8
134.03584	3.4
137.05983	4.8
139.78725	2.8
142.39082	2.5
145.06476	18.7
147.04427	18.9
149.05960	51.6
151.07632	3.8
153.05460	32.5
155.02168	2.9
160.05188	3.6
161.05988	16.2
162.03069	4.6
162.06747	8.5
163.07495	12.5
165.06972	3.3
167.07040	19.7
173.06015	5.4
174.06905	3.7
175.07556	4.3
177.05464	28.1
178.07817	6.5
180.35333	2.6
181.06459	4.1
189.07014	3.6
191.07057	5.6
191.08598	4.3
193.06546	2.6
195.07993	5.7
201.05428	3.1
205.04904	23.7
205.06541	5.2
206.07304	4.5
207.08124	4.4
218.07327	3.9
219.08020	5.7
221.05994	3.6
221.09616	2.9
223.61472	2.5
224.08354	3.6
234.06801	6.5
235.07477	12.8
236.08119	4.5
237.09053	3.7
238.10063	2.5
247.07568	3.8
248.08270	3.1
249.09085	5.6
250.06140	3.8
251.07060	6.5
252.07755	12.3
253.08624	3.0
259.07593	3.0
260.08490	3.5
262.06323	3.7
263.07077	8.5
264.07928	6.3
265.08575	7.3
266.09531	4.7
267.06595	2.7
267.10135	8.9
276.07840	4.0
277.08496	6.1
279.06586	6.2
279.10400	4.0
280.07202	5.4
281.08054	8.9
292.07346	5.5
293.08099	4.9
294.08698	2.8
295.09619	15.2
296.10660	2.7
299.12671	4.5
303.10092	9.0
305.08002	3.5
307.09595	6.1
309.07770	4.3
309.11182	4.6
319.09714	5.9
321.11188	5.9
323.09119	64.0
323.12857	4.2
324.09915	3.1
327.12265	5.4
334.11960	7.8
335.08987	5.7
336.09845	5.0
337.10693	9.6
339.12335	5.7
352.12967	8.6
355.11728	100.0
355.16101	5.5
356.11710	2.7
367.11719	13.8
479.14343	3.2
515.16766	7.9
528.86169	2.9
547.25012	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40224	0.3
53.03937	0.7
55.01857	0.8
57.03420	0.4
61.02919	0.4
67.05491	1.1
68.99776	0.8
69.03415	1.3
69.07054	0.5
70.93978	0.7
70.94317	0.3
71.04977	0.4
75.29443	0.3
79.05492	2.8
81.03410	1.1
81.07044	0.8
85.02913	1.9
87.00824	0.5
91.05466	2.4
93.07017	0.5
95.04961	1.6
95.08605	0.4
97.02850	0.4
97.06522	0.6
103.03890	0.5
103.05453	3.9
105.04549	0.3
105.06295	0.5
105.07022	10.8
107.04910	0.7
107.08593	0.5
109.02840	0.6
109.06489	0.4
109.10152	0.5
115.05432	1.0
117.07016	0.6
119.04961	0.5
119.08573	0.7
120.05724	0.7
121.06529	0.7
121.10123	0.4
123.04395	1.6
123.08074	0.9
127.03887	0.6
128.06216	0.8
129.01810	0.4
129.06970	1.2
131.04893	1.8
131.08591	0.5
133.06493	2.5
133.10120	0.7
135.04366	0.6
135.08031	1.2
137.05930	0.5
141.07057	0.3
144.05710	0.4
145.04907	0.3
145.06470	1.0
147.02858	0.3
147.04378	1.1
148.05165	0.5
148.17288	0.3
149.05972	4.2
151.07538	2.0
157.06509	0.8
158.07260	0.5
159.08038	0.5
161.05977	2.1
161.09557	0.6
163.07529	100.0
164.07892	1.5
165.05469	0.5
165.09093	1.8
171.08055	0.4
173.05981	1.1
174.06732	1.0
175.07574	1.9
177.09087	1.0
181.08582	7.3
185.06024	0.6
187.07498	0.8
187.67804	0.3
189.05458	0.7
189.09090	8.6
190.09685	0.4
191.07042	0.5
201.09219	0.3
203.06969	0.4
207.10158	0.9
215.07004	0.6
257.08154	0.8
297.11234	0.6
299.12769	6.3
301.14319	0.3
309.11105	0.3
311.12741	0.6
323.12762	5.2
341.13828	5.8
355.15579	0.4
365.13815	2.6
369.11841	0.5
389.13800	1.1
407.14749	1.7
425.15964	0.5
451.02524	0.3
493.14813	0.4
511.15875	1.3
529.17047	0.6
547.18549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31459	0.7
53.03952	0.7
57.75878	0.7
67.05515	0.9
69.03412	2.6
69.07069	0.9
70.94933	2.2
71.31581	0.7
79.05486	3.0
81.03419	1.7
81.07040	1.7
84.11337	0.7
85.02893	2.9
87.00867	0.9
91.05462	1.9
93.07018	1.1
95.04926	1.0
100.11253	2.9
103.05459	4.6
105.07026	10.0
107.04926	0.9
109.02850	1.4
115.05436	1.0
119.08562	1.2
121.06526	0.7
121.10163	0.7
121.93362	0.7
123.04416	2.0
124.04780	0.8
127.03899	1.7
131.04936	2.2
131.08588	0.8
133.06480	2.3
135.08072	1.4
135.32292	0.8
137.05948	0.9
149.05966	3.0
151.07527	3.3
157.06464	0.7
163.07542	100.0
164.07863	0.8
165.09081	2.8
173.05940	1.2
177.09082	1.5
181.08589	2.7
183.96051	0.8
187.07507	1.1
189.09090	6.7
191.07133	0.8
201.09093	0.9
213.03848	1.4
280.26385	1.8
281.26666	1.1
297.11218	1.0
298.27234	1.4
299.12756	7.7
299.27512	0.8
323.12894	2.8
341.13815	4.4
504.77374	0.9
547.18433	1.2
547.32867	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83243	0.2
53.03930	0.6
55.01852	0.6
55.05472	0.2
57.03420	0.4
61.02895	0.3
65.03937	0.4
67.05479	0.6
68.99776	0.9
69.03427	0.9
69.07068	0.3
71.04990	0.3
71.58048	0.4
71.64127	0.2
73.02896	0.4
77.03909	0.3
79.05489	3.2
81.03408	0.8
81.07030	0.5
83.08615	0.2
85.02905	2.1
87.00810	0.7
91.05471	2.8
93.07021	0.5
95.04957	1.6
95.08580	0.4
97.02874	0.5
97.06489	0.4
101.71470	0.2
103.03922	0.6
103.05458	4.4
105.01842	0.4
105.07025	11.0
106.07349	0.2
107.04961	0.5
107.08568	0.6
109.02874	0.7
109.06498	0.6
109.10134	0.3
111.04398	0.2
114.12798	0.4
115.05473	0.9
117.07019	0.6
119.04897	0.3
119.08573	0.6
120.05736	0.6
121.06505	0.5
121.10149	0.3
123.04415	1.4
123.08046	0.4
127.03912	0.7
128.06198	0.5
129.01837	0.6
129.06993	1.0
131.04922	1.6
131.08575	0.6
133.06494	2.8
135.03471	0.2
135.04370	1.0
135.08044	1.4
135.17546	0.2
137.05948	0.6
137.09602	0.3
141.06982	0.5
144.05669	0.3
145.05043	0.4
145.06483	1.3
147.02779	0.2
147.04388	1.4
147.07994	0.3
147.11632	0.2
148.05138	1.0
149.05977	3.9
151.07530	1.8
155.08662	0.3
157.06459	0.6
158.07259	0.5
159.08063	0.9
161.05988	2.0
161.09575	0.4
163.07532	100.0
164.07893	1.7
165.05502	0.5
165.09113	1.5
171.08089	0.2
173.05968	1.3
174.06758	1.2
175.07549	1.9
177.09099	0.9
179.03429	0.3
181.08582	7.6
185.06068	0.2
187.07524	1.1
189.05476	0.5
189.09100	9.5
190.09718	0.4
191.06976	0.6
197.13290	0.2
201.09099	0.6
203.07013	0.4
205.08626	0.4
207.10129	1.1
214.78790	0.2
215.06995	0.8
217.08548	0.2
219.58148	0.2
231.10303	0.2
239.07082	0.3
257.08160	0.6
259.83780	0.2
281.08072	0.2
297.11169	0.8
299.09314	0.3
299.12775	6.0
311.12750	0.6
323.12747	4.9
324.12897	0.2
335.12878	0.4
341.13806	6.5
341.17981	0.3
342.14276	0.3
361.09012	0.2
365.13846	2.4
369.11908	0.4
383.14835	0.2
389.13788	0.5
403.97037	0.2
407.14853	1.8
425.15848	0.6
443.16455	0.2
511.16037	1.1
529.16919	0.7
547.18115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1445
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.50684	0.3
50.67935	0.3
53.03933	0.9
55.01866	0.4
55.05502	0.8
57.03426	0.4
61.19683	0.3
67.05495	1.5
69.03432	2.2
69.07049	1.0
70.06588	0.6
71.57533	0.4
73.02901	0.3
79.05488	2.2
81.03442	1.6
81.07049	2.4
83.04961	0.6
83.08617	0.3
84.08149	0.4
85.02895	2.3
85.06525	1.1
86.09702	0.8
91.05470	1.0
92.05798	0.3
93.07039	1.1
94.06550	0.3
95.04967	2.1
95.08616	1.9
97.02897	1.1
97.06513	0.7
105.01778	0.4
105.07018	1.2
107.04948	76.3
107.08571	1.0
109.02875	1.2
109.06512	0.7
109.10148	0.7
113.06031	0.4
117.07044	0.3
119.08558	1.1
120.08115	0.4
121.06570	0.6
121.10109	0.6
123.00179	0.3
123.08091	0.5
124.32441	0.3
125.05994	0.4
127.03944	1.6
131.08585	0.7
132.77518	0.3
133.10132	0.9
135.11746	0.5
137.05994	0.8
137.09627	0.4
145.10138	0.5
147.04399	0.6
147.11671	0.4
153.01848	0.4
159.11694	0.5
161.06009	0.6
163.07466	0.8
165.09125	0.4
167.07108	0.6
170.29276	0.3
175.07542	0.3
192.04156	0.9
193.04956	39.8
194.05305	0.3
234.06679	0.4
260.23709	0.4
262.25339	1.0
263.25772	0.5
280.26419	1.6
281.26685	0.5
298.27417	1.0
299.09122	100.0
300.09464	0.9
347.12906	0.4
355.15259	0.4
461.14554	0.8
502.33136	0.4
503.33862	0.4
546.33264	1.8
547.14142	0.8
547.21057	0.6
547.34332	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24784	0.6
55.05492	1.3
56.05017	1.9
58.06585	1.5
59.07410	0.7
60.08160	18.4
67.05493	3.8
69.07066	5.5
71.07378	5.5
71.58486	0.7
71.58875	0.8
77.81412	0.6
79.05479	1.9
81.07053	7.1
83.08637	1.1
84.03667	0.9
85.02890	0.8
86.09703	46.7
91.05475	1.6
93.07039	2.1
95.04931	0.8
95.08606	3.9
97.06503	0.8
98.08960	0.8
98.98458	3.1
98.99047	0.7
104.10741	100.0
105.07050	1.5
107.08571	1.5
109.10111	1.5
114.05507	1.5
119.08589	1.8
121.10143	2.1
121.15744	0.6
124.99997	26.8
131.08585	1.5
133.10091	1.5
135.11729	1.1
147.11710	0.9
149.13252	1.0
184.07336	95.4
243.21085	1.1
258.11011	2.7
261.22208	2.3
368.09985	1.0
384.27335	1.4
405.29962	1.8
528.34583	4.3
546.35535	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60568	11.1
55.05492	20.1
59.44440	10.4
67.05497	34.4
69.07064	18.9
69.36636	42.5
69.37066	70.7
71.04992	15.1
75.74119	10.5
78.61371	11.8
79.05491	23.3
81.07049	52.3
83.04971	17.2
85.02911	16.3
91.05482	23.2
93.07031	39.3
95.04984	18.9
95.08611	34.0
97.10166	11.7
102.73753	12.0
105.07013	33.9
107.04974	13.1
107.08599	29.2
109.06477	18.3
109.10173	12.9
119.08507	21.4
121.06497	18.3
121.10155	20.6
125.94226	10.4
131.08606	30.9
133.10182	16.7
143.08612	10.7
145.10107	16.6
149.09579	13.6
159.11694	22.1
163.11143	19.0
175.93091	11.4
252.23132	17.0
275.20007	49.4
312.25156	23.4
349.23752	100.0
367.24670	18.8
422.25293	16.1
486.26538	45.8
554.16370	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76474	0.9
53.03935	2.4
55.05505	8.7
57.03424	3.6
57.07079	1.5
61.02916	2.5
67.05502	7.9
68.05028	1.4
69.03428	17.2
69.07060	11.0
70.06593	9.3
70.89475	2.3
70.89801	1.2
71.01292	0.9
71.05002	2.6
73.02906	3.3
79.05497	6.0
80.05044	1.4
80.15136	1.0
81.03417	13.6
81.07054	6.5
82.06574	3.6
83.04984	1.0
83.08586	1.4
83.72726	0.9
84.08118	2.9
85.02425	1.7
85.02900	21.6
91.05482	4.0
93.07034	5.3
94.06566	8.2
95.04998	1.4
95.08612	6.4
96.08128	9.6
97.02881	9.3
97.10129	1.7
98.09695	1.3
99.04458	4.1
101.02394	1.0
103.03930	4.5
105.07013	4.6
107.07340	1.3
107.08602	2.3
108.08121	7.3
109.02872	12.3
109.08902	3.1
109.10163	2.8
110.09675	5.3
119.08557	1.2
121.10152	1.4
122.09656	10.7
124.11240	1.5
127.03912	15.6
127.09942	3.2
132.05136	0.9
133.10152	1.3
136.11234	3.3
140.10725	6.6
145.04953	2.6
146.94548	0.9
155.15770	0.9
161.06105	0.9
163.64091	1.0
187.06049	2.9
229.69044	1.0
234.22308	1.1
262.25281	44.0
280.26334	100.0
281.26764	2.2
298.24637	0.8
298.27390	64.5
340.28448	7.0
502.33731	67.7
503.34189	2.4
546.32721	92.3
547.32996	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27648	1.5
55.01854	3.1
55.05508	7.7
57.03422	4.6
57.07057	3.0
62.06090	14.6
67.05511	12.6
69.07059	9.3
69.07378	1.6
69.83429	1.3
69.92354	7.6
71.04990	3.2
71.08616	6.4
79.05480	9.6
81.07046	18.9
83.04962	1.5
83.08603	6.8
85.06575	1.9
91.05470	8.3
93.07051	11.4
95.04961	3.0
95.08595	16.5
95.51418	1.6
97.06534	3.8
97.10165	1.6
98.97848	2.6
98.98461	27.4
99.08087	4.0
105.07041	11.2
107.08606	13.7
109.06514	11.5
109.10149	6.7
111.08150	1.6
116.99527	1.8
119.08575	14.8
121.06527	1.5
121.10150	7.5
123.08070	22.7
123.11681	3.2
125.09623	3.3
131.08589	3.5
133.10123	13.8
135.08047	12.5
135.11679	3.2
137.09589	1.9
142.02728	1.5
145.10124	7.2
147.11682	8.4
149.09633	2.7
149.13255	4.1
155.01030	3.2
157.10039	2.8
159.11693	7.5
161.09537	2.5
161.13248	1.9
165.12695	2.6
167.14360	2.0
171.11659	2.0
173.02110	5.0
173.13210	3.5
175.11230	1.5
175.14810	9.5
177.12708	7.0
177.16312	2.0
179.14304	32.8
187.14769	2.3
191.14330	2.0
193.12309	2.3
193.15837	4.3
205.15881	6.9
216.06366	5.1
263.20044	4.8
269.17319	1.7
275.19995	2.8
289.21643	9.4
293.21133	4.7
303.26782	5.6
313.25146	2.0
331.26315	44.4
332.26822	2.0
337.23648	2.7
349.27292	7.7
369.27997	2.3
374.30240	7.4
387.29007	8.4
405.29984	100.0
406.30121	3.7
423.30777	3.9
485.19904	2.6
485.26605	37.8
486.25946	2.1
503.27664	60.8
504.27509	2.7
528.31232	7.5
546.31946	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.1
57.03431	4.2
57.07080	2.0
59.07276	1.3
64.11977	1.3
67.05504	10.5
68.99462	1.3
69.07067	8.0
71.04983	1.2
71.08619	3.6
71.58152	1.8
79.05494	5.9
81.07047	14.2
83.04967	1.7
83.08626	3.3
91.05489	5.0
93.07024	8.5
95.04971	1.4
95.08603	11.1
97.06522	3.7
97.10150	1.6
98.98469	4.1
99.08089	2.8
105.07032	9.5
107.08571	7.9
109.06512	10.5
109.10177	4.3
117.06990	2.2
119.08549	8.3
121.06508	1.7
121.10123	7.4
123.08060	17.9
123.11717	1.8
125.09628	1.8
129.07027	1.3
131.08591	2.0
133.10156	7.6
135.08023	8.1
137.09598	2.0
140.41855	1.2
143.08591	1.8
145.10063	2.3
147.11633	5.5
149.09642	2.1
149.13286	3.3
157.10135	2.7
159.11694	2.2
161.13264	2.2
163.00583	1.3
165.12735	1.8
167.14351	1.5
173.13283	2.1
175.11087	1.2
175.14792	7.2
177.12749	3.2
179.14304	27.9
189.12729	1.1
191.14287	1.5
193.15961	2.0
205.15974	3.6
210.04030	1.1
233.18889	1.2
275.19980	1.5
289.21542	8.7
293.21207	3.0
303.26642	2.0
319.22632	2.1
331.26315	15.2
337.23663	1.4
349.27377	8.2
361.27469	1.7
369.28061	2.3
374.30487	3.9
375.29037	2.4
387.28824	7.1
405.29984	100.0
406.30295	4.4
436.72861	1.5
485.26660	3.6
503.27817	6.3
546.31891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.0
55.05495	6.4
57.03427	4.9
57.07050	1.9
67.05505	11.7
68.05836	1.6
69.07047	10.3
69.99644	3.9
70.00053	5.8
71.08623	7.9
74.46840	1.7
79.05492	8.4
81.07050	19.2
83.08598	5.4
91.05467	7.1
93.07027	11.5
94.07371	2.2
95.08616	14.1
97.06496	3.7
98.98418	4.0
99.08104	2.2
105.07040	9.8
107.04876	2.2
107.08601	11.2
109.06529	8.6
109.10146	7.1
119.08571	11.9
121.06558	2.5
121.10135	6.0
123.08063	18.8
123.11684	2.4
125.09621	3.2
127.45290	1.8
127.97953	1.6
131.08536	3.7
133.10107	6.9
135.08037	10.8
135.11676	3.9
145.10097	4.8
147.11674	8.3
149.13245	3.2
159.11699	2.7
161.13194	2.2
163.11211	2.2
172.95325	2.3
173.13391	2.0
175.14807	6.8
177.12788	3.6
178.29802	1.7
179.14325	25.6
193.15845	4.1
205.15770	3.6
289.21558	7.2
293.20862	2.5
328.33948	2.2
331.26248	11.6
342.61224	2.1
349.27560	8.4
374.30667	4.0
387.28986	8.7
405.29953	100.0
503.27505	5.0
546.38788	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96141	2.2
53.03934	6.9
55.01861	6.2
55.05505	38.4
57.03430	8.0
57.07074	3.1
59.04990	2.2
65.03918	5.0
67.05503	78.4
69.03426	5.0
69.07059	20.4
69.35893	15.4
69.36304	8.3
71.04991	7.3
77.57855	2.1
79.05489	56.8
79.05912	4.5
81.03419	28.4
81.07051	79.6
83.04993	7.6
83.08614	22.5
85.02886	4.7
85.06544	4.3
91.05479	50.5
93.07038	52.6
95.04967	25.8
95.08605	51.0
95.09541	2.4
97.06524	6.8
97.10162	18.1
98.20718	4.7
104.10757	3.9
105.07037	37.6
107.04935	7.4
107.08592	37.8
109.06505	7.5
109.10155	31.7
111.04392	2.8
111.08100	6.8
112.43380	2.4
115.05454	4.2
117.07022	14.7
119.08588	32.8
121.06518	9.9
121.10145	23.7
123.08090	5.7
123.11697	9.3
125.09641	13.1
128.06233	4.1
129.07008	11.5
131.08568	30.5
133.06508	3.8
133.10138	23.7
135.08049	5.9
135.11687	15.6
135.79141	2.4
137.09648	2.6
142.07805	4.2
143.08585	10.1
145.10124	20.2
147.08017	3.0
147.11684	20.7
149.09596	4.3
149.13266	10.8
155.08566	6.0
157.10139	12.8
159.11714	15.4
161.09708	3.3
161.13321	9.2
163.14836	6.1
169.10123	6.2
171.11694	8.8
173.13287	12.9
175.11139	3.7
175.14726	4.4
184.07333	6.7
185.13275	7.0
187.14864	8.4
189.11206	13.6
193.12254	14.9
195.11777	2.8
197.13249	4.3
199.14844	7.5
201.16470	4.6
211.13318	10.3
215.17986	2.7
223.14980	3.3
227.12741	14.4
227.17882	3.3
261.22113	14.5
267.15845	17.7
285.22076	5.0
301.25208	20.6
303.23206	4.1
317.24759	2.6
335.25803	15.2
359.25812	3.1
417.31421	3.6
421.25699	2.7
435.32706	8.2
453.33771	17.1
462.69324	2.6
471.34622	15.0
509.36227	3.9
527.37311	65.3
545.38348	100.0
546.38239	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.01875	4.3
55.05506	21.7
57.03439	5.7
57.07066	3.7
64.27943	4.2
67.05503	61.3
69.03421	3.9
69.07072	20.2
69.32516	29.3
69.32928	7.7
71.04988	6.1
79.05488	52.6
81.03428	4.6
81.07055	100.0
83.04979	7.3
83.08630	11.1
85.06504	4.7
91.05471	30.3
93.07043	44.4
95.04983	9.2
95.08601	41.0
97.06504	7.1
97.10159	7.3
98.69500	3.5
105.07027	42.2
107.08600	26.7
109.06530	6.2
109.10146	15.3
111.73449	3.9
117.07000	5.2
119.08570	35.7
121.10155	35.2
123.11721	22.1
124.09828	3.3
129.07013	4.2
131.08543	10.1
133.10150	12.4
135.11690	15.5
145.10124	10.8
147.11667	46.0
149.13271	7.6
159.11700	7.3
165.12766	17.9
185.13271	4.3
261.22253	10.4
267.15924	35.8
437.18298	3.3
479.52206	3.9
527.37030	9.8
545.38715	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75607	3.7
53.03945	10.5
55.01871	4.6
55.05516	38.1
55.92031	3.4
57.03460	8.4
57.07081	5.4
60.11223	3.3
65.03925	5.0
65.64457	3.8
67.05505	93.5
69.03430	6.9
69.07072	27.5
69.41987	35.7
71.05002	7.6
79.05500	75.0
79.64713	3.4
81.03426	54.3
81.07059	100.0
82.73484	4.0
83.04971	17.8
83.08621	28.9
85.02908	24.9
85.06541	8.8
90.80119	4.2
91.05485	74.4
91.61932	4.2
93.07046	87.2
95.04985	32.8
95.08618	53.9
95.09173	6.0
97.10175	14.8
105.07038	57.9
107.04979	5.8
107.08598	44.4
109.06502	11.0
109.10146	22.4
111.08087	14.3
117.07009	19.6
119.08569	37.0
121.10146	40.8
123.08037	4.0
123.11787	4.2
125.09673	7.4
129.07019	15.5
131.08586	31.4
133.06477	5.9
133.10165	24.8
135.08092	7.3
135.11697	18.6
143.08540	7.3
145.10127	22.6
147.11711	26.2
149.09650	11.0
149.13248	12.5
155.08542	6.4
157.10095	11.1
159.11702	15.0
161.13231	10.2
163.11194	5.2
165.12755	5.0
169.10175	5.1
170.42967	3.8
171.11740	8.0
173.13333	12.0
175.11205	13.4
175.14894	5.6
183.11797	6.3
185.13235	8.8
187.14871	6.1
193.12244	40.5
205.45514	3.6
211.13295	44.7
253.19679	5.1
259.20703	4.1
261.22180	7.2
267.15948	13.3
272.42963	4.8
301.25266	7.2
335.25671	10.2
386.73370	3.9
453.33673	11.4
471.34424	7.9
509.28500	4.2
527.37250	29.6
545.30444	7.0
545.38361	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.8
55.01865	5.5
55.05266	3.0
55.05511	39.5
57.03440	9.8
57.07042	3.5
59.04985	2.4
65.03930	4.6
67.05504	68.7
69.03423	6.2
69.07067	20.1
69.44176	9.1
69.44601	9.7
71.04985	5.6
79.05489	43.2
81.03416	25.5
81.07052	64.1
83.04988	6.4
83.08616	19.0
85.02859	2.1
85.06541	4.8
91.05480	35.6
91.87075	1.8
93.07034	45.8
95.04973	26.0
95.08598	44.3
95.67422	1.9
97.06522	6.9
97.10176	21.4
98.20802	4.5
99.08101	2.6
105.07032	35.2
107.04987	7.5
107.08594	31.0
109.06529	6.0
109.10148	27.1
111.08083	4.5
115.05475	2.0
117.07011	15.7
119.08585	31.5
121.06512	8.4
121.10146	18.5
123.08055	5.6
123.11707	8.6
125.09644	16.3
129.07034	12.4
131.08565	28.2
133.06531	2.9
133.10136	28.8
135.08078	7.1
135.11713	11.4
137.09634	6.0
137.13297	2.8
143.08562	10.8
145.10124	20.9
147.08034	4.1
147.11690	14.3
149.09657	6.3
149.13306	6.6
155.08556	3.3
157.10135	13.8
159.11699	15.8
161.09727	2.3
161.13307	8.2
163.11232	2.8
163.14862	3.3
165.12749	2.3
169.10156	6.2
171.11766	7.9
173.09697	2.9
173.13248	10.3
175.11172	3.9
175.14830	3.8
181.10280	2.6
183.11719	4.3
185.13274	5.6
187.13260	2.7
187.14832	8.6
189.11238	13.6
193.10646	2.3
193.12280	13.8
195.11707	3.3
197.13223	3.3
199.14874	2.7
211.13286	3.5
213.16469	3.2
227.12753	16.4
233.15314	3.9
243.15921	2.7
243.21104	3.9
247.16757	2.8
261.22089	14.6
267.15887	20.3
273.18613	2.7
279.23331	4.0
285.22034	3.2
287.20135	3.8
299.23364	2.1
301.25235	25.2
303.23575	2.4
317.24792	2.7
335.25772	18.6
341.24957	2.9
417.31274	3.6
421.25790	3.7
435.27390	2.0
435.32532	11.1
446.45755	2.1
453.33398	12.7
471.34888	11.5
498.98972	2.5
509.36139	2.7
527.37335	57.8
545.38361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96284	3.0
53.03936	5.7
55.01875	8.3
55.05509	42.7
57.03433	12.7
57.07074	5.2
61.22266	2.9
62.99687	2.7
65.03948	4.6
67.05505	80.4
69.03414	4.6
69.07082	21.3
69.66259	11.2
69.66683	10.6
71.04986	5.8
79.05492	65.0
81.03426	35.1
81.07057	89.1
83.04976	7.4
83.08615	27.5
85.02923	9.4
85.06538	4.1
91.05487	52.1
93.07043	64.5
95.04977	28.3
95.08608	51.5
97.06532	8.3
97.10181	22.5
105.07034	54.1
105.08094	2.9
107.04958	8.5
107.08587	44.4
109.06510	8.3
109.10164	29.0
111.08074	10.5
117.07035	20.2
119.08597	34.0
121.06522	8.8
121.10132	29.3
122.49517	3.0
123.08049	5.3
123.11735	12.5
125.09626	18.9
129.07005	17.3
131.08563	32.6
133.10127	23.7
135.08080	8.1
135.11664	18.7
137.09584	4.1
137.13292	4.0
139.97885	2.7
143.08559	9.8
145.10121	24.3
147.11674	21.9
148.07201	2.8
149.09656	6.4
149.13287	6.7
153.09138	4.2
155.08636	7.1
157.10107	11.8
159.11710	16.9
161.13297	5.4
163.11247	3.8
163.14905	3.2
169.10129	5.6
171.11745	9.3
173.09607	3.1
173.13260	10.5
175.11227	5.2
175.14838	8.5
183.11726	4.7
185.13301	3.5
187.11443	3.1
187.14867	6.4
189.11292	9.9
193.12180	22.3
211.13194	17.5
218.98531	3.0
227.12793	15.6
233.15396	3.8
243.21295	3.1
247.17049	4.1
261.22079	15.9
267.15970	22.4
285.22266	6.2
295.07001	3.2
301.25143	23.9
320.18436	3.2
329.24774	3.5
335.25848	20.9
359.25684	4.9
417.31287	4.1
421.25809	4.9
435.32693	8.6
453.33658	17.8
471.34683	13.0
509.36258	4.1
512.09827	3.2
527.37402	66.8
545.30414	6.2
545.38397	100.0
546.39227	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08212	3.0
53.03943	8.4
55.01869	6.7
55.05507	42.8
57.03431	12.7
65.03922	7.9
67.05502	93.3
69.03424	6.9
69.07067	29.4
69.58542	7.4
69.58952	18.1
71.04983	6.9
79.05492	86.6
81.03414	52.0
81.07053	96.1
83.04965	14.4
83.08612	29.0
85.02882	24.8
85.06519	4.9
86.72944	3.0
91.05476	74.8
91.22859	3.4
93.07041	100.0
95.04959	32.6
95.08605	66.0
97.06515	7.2
97.10184	11.2
98.21470	7.2
99.93571	3.2
105.07027	60.5
107.04984	9.4
107.08582	38.6
109.06515	9.7
109.10148	24.5
111.08064	11.0
115.05473	2.9
117.07034	14.5
119.08590	36.3
119.09393	4.5
121.06509	6.5
121.10136	40.9
123.08060	3.8
123.11682	10.0
125.09624	5.3
125.40536	3.0
129.06987	16.1
131.08563	34.1
133.10133	28.0
135.08076	5.1
135.11714	21.2
137.09630	3.9
141.06987	3.8
143.08549	7.6
145.10135	22.3
147.08109	5.8
147.11688	33.3
149.09637	14.3
149.13260	9.8
151.11197	3.4
153.12971	3.6
155.08591	3.8
157.10112	19.6
159.11723	15.0
159.93053	3.4
161.13280	11.7
163.11154	5.6
165.12794	5.1
171.98853	3.2
173.13249	12.8
175.11136	16.1
175.14961	3.7
183.11739	5.3
193.12227	45.6
207.56323	3.3
211.13194	37.8
227.12816	5.1
234.79173	3.1
243.21021	6.5
261.22089	8.8
267.15884	10.6
289.21835	3.5
335.25836	6.2
363.25467	4.3
435.32578	10.7
453.33533	8.4
471.34671	4.2
488.91635	3.8
527.37384	37.7
545.38361	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.05508	22.4
57.03434	4.1
57.07061	4.1
65.03921	3.2
67.05503	61.4
68.29749	1.5
69.07067	20.2
71.04993	4.9
79.05491	50.0
81.03404	2.1
81.07053	100.0
81.11067	1.4
83.04992	6.8
83.08618	10.1
85.06529	3.4
91.04908	2.4
91.05476	41.1
91.06017	3.1
93.07037	53.4
95.04967	6.9
95.08600	43.3
97.06529	8.8
97.10181	3.0
99.08086	3.8
102.70316	1.5
105.07028	41.9
107.08588	25.2
109.06514	6.3
109.10139	12.9
109.51416	1.6
111.08062	1.8
117.07024	6.4
119.08581	32.9
119.09370	2.8
121.09266	1.2
121.10136	36.1
123.08064	4.8
123.11694	25.6
127.07514	1.9
131.08565	12.1
133.10126	10.1
135.11694	14.0
137.09633	1.9
137.13248	1.9
143.08508	2.3
145.10103	11.3
147.11690	62.5
149.13255	8.1
157.10153	3.8
159.11732	7.2
161.13292	4.5
163.14789	3.5
165.12743	23.6
171.11786	2.5
173.13269	6.3
175.14822	2.2
183.13821	4.6
187.14813	2.3
193.12202	1.6
229.14395	4.6
229.74391	2.1
233.22981	2.0
243.21120	6.4
261.22180	16.8
267.15933	54.1
317.24759	3.7
396.49850	1.6
435.32571	1.8
453.33899	3.6
471.34705	2.2
527.36664	8.0
545.38397	51.2
546.38049	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51780	1.4
53.03935	4.3
55.01872	2.8
55.05514	18.9
57.03430	3.8
57.07072	2.5
58.14705	1.4
59.04985	1.6
64.03508	1.6
65.03931	3.2
67.05503	61.5
67.38984	1.7
69.07066	20.8
70.10456	4.7
71.04979	3.5
79.05491	51.3
81.07054	100.0
83.04965	6.1
83.08614	12.8
85.06549	5.1
91.05480	43.8
91.06017	3.3
93.07039	46.7
94.07348	1.7
95.04930	7.6
95.08601	42.7
97.06519	5.7
97.10156	4.0
99.08076	3.4
105.07026	45.5
107.08589	29.7
109.06519	3.9
109.10149	16.1
114.50115	1.5
117.07029	6.0
119.08573	32.3
121.10146	33.6
123.08029	2.5
123.11714	21.7
125.09640	2.3
127.07529	2.9
129.07004	4.5
131.08585	15.6
133.10124	13.6
134.84790	1.8
135.04391	2.9
135.11703	13.3
136.42384	1.5
137.06076	1.5
137.09648	1.8
137.13286	3.0
140.46722	1.8
141.09128	1.8
145.10144	9.4
147.04390	3.9
147.11684	51.4
149.09665	2.5
149.13258	7.4
157.10190	4.5
159.11705	7.6
161.13240	5.5
163.11122	2.8
163.14822	2.9
165.12762	25.8
171.11682	2.4
173.13251	4.8
175.11235	2.0
175.14990	1.7
177.09042	2.7
183.13814	3.6
187.14758	2.0
205.08569	4.3
213.16438	1.6
214.94688	2.3
229.14371	2.2
235.37849	1.6
243.21063	2.4
261.22168	14.1
267.15897	37.7
285.16904	2.2
288.74829	1.7
317.24878	5.2
321.11230	4.8
395.18640	7.3
452.90982	1.8
453.33575	3.3
527.37329	9.9
545.23505	1.8
545.38385	49.6
546.38702	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.3
55.01865	12.2
55.05510	34.9
57.03432	15.8
57.07060	7.8
59.05015	3.0
61.02921	7.9
65.03938	6.1
67.05502	93.3
68.99780	7.0
69.03429	28.1
69.07071	30.7
69.36879	16.6
69.37289	8.8
70.06593	5.8
71.05004	19.4
73.02920	3.0
79.05500	40.7
81.03412	37.5
81.07057	92.4
82.48783	2.7
83.04974	20.1
83.08610	16.1
84.08141	7.5
85.02905	26.5
85.06543	34.4
87.00829	14.3
91.05486	46.7
93.06476	4.3
93.07043	59.6
95.04975	40.6
95.08607	100.0
96.08096	4.1
97.02908	21.8
97.06543	19.9
97.10170	8.2
99.04446	14.0
99.08097	7.1
103.03914	4.5
105.01851	5.5
105.07031	47.6
107.04946	6.9
107.08597	42.7
109.02881	47.2
109.06506	22.5
109.10152	50.3
110.07085	3.1
111.04453	10.1
111.08089	11.8
111.11784	3.3
113.06013	23.8
117.07026	9.5
119.04900	3.2
119.08577	28.4
121.02881	4.6
121.06481	14.2
121.10141	37.8
122.22641	3.5
123.04443	4.6
123.08059	15.9
123.11718	6.8
125.09638	7.7
127.03914	52.7
129.01796	4.4
129.07025	5.4
131.08578	18.0
133.06512	6.9
133.10136	30.2
135.08049	7.9
135.11696	33.0
137.05957	18.5
137.13234	2.9
139.07556	3.9
141.06862	4.1
141.09096	6.6
143.08568	4.9
145.04971	5.7
145.10088	19.5
147.02899	4.0
147.08055	5.3
147.11681	21.6
149.05898	4.1
149.09569	4.7
149.13251	14.8
151.07542	7.0
151.11151	4.5
151.14870	3.1
157.09984	5.2
159.02858	4.3
159.07994	3.4
159.11711	10.5
161.05972	14.3
161.09723	4.5
161.13269	12.1
163.03856	5.8
163.07571	4.9
163.11150	4.0
163.14844	9.8
165.05356	2.7
165.09122	4.4
165.12738	3.5
169.10136	3.9
173.13260	9.5
175.07596	3.7
175.11169	4.0
175.14842	13.2
177.09138	10.7
177.16399	9.6
179.07050	5.8
187.14847	10.3
189.16370	14.0
193.15981	4.8
195.10110	3.0
195.17442	5.3
201.16354	4.1
203.06783	4.2
203.08548	4.6
203.17975	11.2
210.24283	3.1
213.03943	12.5
215.17969	3.1
221.19020	4.4
243.21027	20.0
245.22758	3.4
248.08397	5.0
259.07556	5.0
259.20724	4.2
261.22119	25.0
262.25400	7.9
266.41333	2.9
271.93814	3.0
277.21561	4.9
279.23132	32.4
280.26382	22.2
291.10208	9.2
297.24365	8.2
298.27429	14.6
303.23257	4.5
321.24210	28.4
323.12650	5.7
333.24173	8.4
339.25394	3.5
363.25247	12.4
369.24234	6.3
387.25308	12.9
473.25186	5.5
491.26431	6.3
502.33719	12.1
509.27481	6.4
545.19885	7.4
545.32660	10.8
546.32703	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
57.03421	2.4
59.06108	1.0
60.04526	7.4
61.02913	2.1
65.03941	2.2
69.03428	18.0
69.88068	4.0
69.88484	1.9
70.02945	11.5
71.04996	14.9
73.02934	2.2
74.02448	1.1
79.05504	1.2
81.03416	13.5
83.04962	1.8
85.02906	20.3
88.03985	49.7
89.05480	2.5
89.06027	45.9
92.05000	2.8
95.04967	1.1
97.02887	27.4
98.02399	1.6
98.20895	1.9
99.00804	5.2
99.04459	5.4
106.06516	2.3
109.02866	10.0
109.05315	1.2
110.06033	100.0
111.04433	3.2
116.03450	2.6
120.04478	5.4
122.06031	1.5
127.03912	17.8
130.04996	16.6
134.06017	4.8
135.06502	1.9
136.03941	10.3
145.04929	11.0
146.06010	1.2
148.03928	1.2
152.07036	7.5
158.04482	32.8
161.07166	1.6
162.05499	73.3
163.05884	1.4
166.05017	8.1
172.03934	3.3
172.07539	2.9
174.05519	1.8
176.07069	1.6
179.08165	4.1
180.06587	2.2
186.05420	1.8
189.06569	3.2
190.04974	55.6
191.05501	1.8
200.07104	5.5
202.05138	1.5
204.06522	1.8
207.07591	8.4
208.06053	26.2
213.32613	1.3
213.65002	1.3
217.07057	1.3
218.08083	1.9
222.27911	1.0
224.07101	2.0
225.08545	2.0
228.06543	1.2
241.07404	1.5
249.08705	28.5
250.07111	2.4
252.06494	2.2
261.09668	2.5
267.09747	81.2
268.10049	1.7
270.07520	1.6
291.09744	1.4
298.07080	3.7
309.11087	2.0
323.12341	3.3
347.46198	1.2
348.11960	1.9
352.13797	3.1
366.12943	7.6
370.14749	2.9
388.15814	5.0
429.15167	1.4
432.12668	1.4
450.13943	1.4
486.15848	2.9
527.18317	1.3
528.18365	3.0
545.19617	19.9
546.19623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01863	1.0
55.05507	1.2
56.05029	3.9
58.00088	0.6
59.39617	0.5
59.72431	0.6
60.04523	4.1
67.05502	7.3
68.05035	4.7
69.03431	3.6
69.07055	1.5
70.06588	7.3
71.04958	0.7
71.57240	1.0
72.04523	0.7
72.08154	0.9
72.30112	0.6
73.02927	0.9
74.31499	0.6
79.05488	6.7
80.05017	4.7
81.03410	5.9
81.07049	7.3
82.06571	3.3
83.04977	1.1
83.08620	0.6
84.04493	1.3
84.08136	2.0
85.02915	3.5
86.06072	1.2
86.09686	1.9
91.05482	5.5
93.07038	4.6
94.06563	5.3
95.04968	2.4
95.08601	4.4
96.08131	4.8
97.02886	1.6
97.06539	1.3
98.06061	1.2
99.04466	0.8
105.07028	4.2
106.06542	1.5
107.04953	0.9
107.08565	1.9
108.08119	1.7
109.02869	3.2
109.06500	1.1
109.10175	0.8
110.06023	1.4
110.07227	0.6
110.09665	0.7
112.07607	2.3
117.06999	0.6
119.08572	2.8
120.08058	0.7
121.10128	2.7
122.09648	0.8
123.08025	0.9
127.03918	2.3
128.07031	0.6
129.06998	1.4
131.08575	2.9
133.06479	0.7
133.10133	2.1
135.08101	0.6
135.11671	1.0
136.11227	0.8
137.02332	19.1
138.12775	6.8
141.10736	0.6
145.10109	1.3
146.09566	0.7
147.04396	0.9
147.11719	1.2
148.11240	2.6
149.09537	1.0
152.14319	1.3
157.10083	0.7
162.12785	1.3
163.03868	1.0
164.14342	2.0
166.12271	27.4
173.13295	0.8
174.12732	1.1
175.11165	0.8
179.03459	0.8
180.13818	7.4
184.13338	2.2
188.29243	0.6
190.12180	0.8
192.13805	11.6
208.13350	1.5
210.14865	22.1
226.14307	1.0
228.15935	5.7
252.16048	0.7
259.10480	0.6
270.16995	0.8
292.81589	0.6
310.16455	1.0
312.17877	0.7
328.17783	3.1
330.19339	1.2
336.18256	1.0
354.19116	5.6
372.20160	12.4
390.21225	15.8
482.20203	0.7
508.21710	2.3
526.22827	26.3
527.23486	0.9
543.35431	0.8
544.23834	100.0
545.24115	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.3
59.69064	2.7
67.05496	8.3
69.03402	4.4
69.07059	9.0
70.06580	9.9
71.57801	4.0
76.79262	2.3
79.05514	5.4
81.03427	4.0
81.07063	7.2
82.06544	5.0
83.08623	2.6
85.02921	5.7
86.09698	4.3
91.05496	4.8
93.07018	4.1
94.06555	9.2
95.04971	4.4
95.08612	7.0
97.13200	2.9
107.08543	5.4
108.08105	3.4
110.06061	2.7
112.07614	4.6
114.51447	3.0
118.06551	3.5
120.04471	3.8
121.10131	9.1
122.06033	29.6
127.03974	3.3
128.07077	24.7
135.11702	2.7
136.12209	2.7
138.05521	6.0
139.06253	3.4
140.07074	39.9
142.08612	3.8
144.04475	3.5
146.06009	55.0
146.07121	5.1
152.07066	35.5
156.10284	4.9
162.05560	4.6
166.05019	6.9
172.03886	18.9
173.04732	3.8
174.05507	31.5
177.16447	3.3
180.06561	2.8
184.07404	2.6
190.04933	3.6
191.05756	5.2
192.06505	5.0
198.07590	12.6
199.08363	2.8
204.06567	30.4
206.08136	33.9
209.20830	2.5
212.16417	2.3
214.14354	5.4
223.08630	4.0
237.10210	10.4
239.11885	5.0
244.82826	3.2
250.08473	2.6
251.08156	8.0
252.08832	4.6
253.09753	6.5
265.09723	27.5
266.10538	5.3
267.11304	7.9
279.07681	13.6
283.10776	4.2
293.09259	21.3
295.10852	8.2
311.10098	19.3
312.10983	7.6
313.11862	24.4
315.13474	3.9
321.08670	21.9
325.11731	10.3
326.12753	3.9
327.13242	12.3
331.12906	7.7
332.13312	8.9
336.08566	5.5
339.09787	41.0
345.14478	5.7
347.15668	3.6
350.14435	6.5
353.11301	14.9
357.10556	12.4
363.15198	2.7
371.12363	100.0
372.10770	5.5
385.13861	7.4
386.12323	5.5
387.10803	2.6
403.15198	3.8
462.16730	3.7
468.21063	4.9
480.17728	15.0
494.19409	15.4
512.20520	16.6
526.21954	4.1
544.23938	11.1
544.31573	4.8
545.25189	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	2.8
69.03435	2.5
69.07043	1.3
70.06589	4.7
70.50819	5.1
72.08150	2.4
81.03406	1.3
84.08114	2.1
85.02902	2.9
86.09708	2.8
91.05505	2.6
93.07026	1.5
94.06520	1.4
95.04935	1.5
95.08612	1.5
97.02914	1.2
97.89680	1.1
105.07018	1.5
107.08615	1.6
110.06020	1.4
113.47625	1.2
122.06052	2.1
138.05513	5.1
139.41895	1.3
140.07066	1.8
146.06036	2.3
148.07568	1.3
149.13145	1.3
152.07072	1.2
156.62759	1.3
163.03868	1.9
166.04990	3.9
167.07071	1.6
172.03909	1.2
180.10229	1.5
194.09901	1.4
195.35457	1.2
206.08060	1.8
208.09695	4.0
211.08722	3.1
219.09143	1.5
222.07668	2.5
223.08737	3.0
224.09476	1.8
225.10352	1.6
227.08246	1.6
236.09491	2.6
237.10214	30.3
238.10837	2.5
239.08112	3.4
239.11711	2.7
241.05811	1.2
247.08521	1.3
249.09961	1.7
250.08710	1.7
251.08217	7.5
252.08904	2.6
253.09775	3.8
255.11197	1.9
265.09732	40.0
266.10413	3.9
267.07892	2.9
267.11322	8.0
279.07455	2.3
281.09155	5.7
293.09177	31.5
294.09900	3.2
295.10852	10.0
299.10318	3.6
311.10257	41.1
312.11026	3.3
313.11917	3.9
321.08652	13.3
325.11679	2.5
337.14185	1.6
339.09750	68.7
340.10275	2.7
343.12967	2.4
353.11429	9.9
371.12387	100.0
372.12811	2.7
403.15036	2.3
452.18161	4.2
480.17688	41.1
494.19113	3.0
512.20129	4.3
544.24390	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01863	5.0
55.05508	24.1
57.03437	2.9
57.07067	1.6
65.03942	2.2
67.05505	37.7
69.07070	10.9
70.85024	4.6
71.04990	3.2
79.05497	28.0
81.03416	6.5
81.07055	30.4
83.04974	6.9
83.08611	15.3
85.06562	1.9
91.05482	21.7
93.07043	29.7
95.04970	8.9
95.08601	17.6
97.06519	3.1
97.10163	11.9
105.07026	18.8
107.04958	3.1
107.08600	16.6
109.06517	2.6
109.10151	13.2
111.08076	3.3
117.07026	14.1
119.08578	16.8
121.06485	2.7
121.10150	8.2
123.08073	3.7
123.11729	5.5
125.09623	13.4
128.06238	2.8
129.06967	10.3
131.08545	20.4
133.10117	15.1
135.07979	2.8
135.11713	7.5
136.84464	2.1
141.06978	2.9
142.07707	2.5
143.08554	9.2
145.06473	2.5
145.10138	19.8
147.08049	2.4
147.11707	8.7
149.09618	1.8
149.13240	3.2
153.12756	2.0
155.08542	4.2
157.10129	9.3
159.08084	2.0
159.11707	12.6
161.09630	1.8
161.13255	4.6
163.11189	7.6
167.08565	2.2
169.10146	6.4
171.11665	10.6
173.09639	2.1
173.13287	7.3
175.14937	1.9
181.10098	3.7
181.12090	1.8
183.11674	7.9
185.13309	7.5
187.11145	1.8
187.14882	3.1
189.11189	8.6
193.12123	1.7
195.11722	3.8
197.13350	5.7
199.14844	2.3
201.16403	2.1
209.13318	2.4
211.14951	3.4
213.16481	2.5
215.14459	2.2
223.14835	3.0
227.12729	13.5
259.20752	2.3
261.22168	2.0
283.20648	2.6
299.23679	13.4
301.21658	3.1
333.24255	2.5
433.31088	7.4
451.32007	13.0
469.33301	9.0
471.32391	2.0
487.34369	2.7
519.04944	1.7
525.35706	18.5
543.36786	100.0
544.36731	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01858	3.2
55.05502	11.1
57.03422	1.8
60.46830	0.8
65.03928	1.8
67.05502	28.8
69.03424	2.1
69.07071	9.9
71.04977	2.9
71.58960	1.2
79.05489	37.3
81.03413	2.1
81.06577	2.1
81.07050	30.2
83.04983	3.6
83.08601	7.8
85.09921	0.9
91.05475	18.9
93.07038	45.2
95.04966	8.8
95.08602	38.6
97.02917	3.4
97.06524	2.8
97.10151	2.1
97.72435	0.9
99.04443	1.7
99.08083	1.3
105.07021	14.2
107.04927	6.9
107.08590	29.8
107.09296	1.8
109.06517	2.6
109.10161	8.4
115.05447	1.1
117.07011	11.1
119.08578	16.1
121.06503	4.7
121.10140	19.4
123.11665	1.7
123.50254	0.9
125.06039	2.1
129.07079	1.2
130.07770	1.6
131.07745	1.1
131.08557	6.2
133.10129	6.9
135.08060	2.3
135.11684	39.4
139.07539	2.0
143.08607	2.3
145.10118	25.4
147.11684	4.2
149.13280	5.1
159.11736	3.7
161.13263	2.6
163.11172	57.0
171.11772	1.2
173.13293	3.3
175.14868	1.3
181.12222	14.2
187.14774	1.1
196.78380	0.9
209.11888	1.2
227.12770	100.0
243.21118	2.5
261.22137	8.0
275.20169	1.1
290.84268	1.0
317.24826	2.9
525.36273	2.5
543.36835	50.1
544.37488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01856	8.1
55.05510	28.2
55.20319	2.4
57.03440	4.2
57.07076	4.2
67.05506	44.9
69.03436	3.2
69.07069	17.4
69.25070	5.6
69.25481	25.0
71.04987	5.4
74.78955	2.4
79.05490	42.6
81.03417	9.5
81.07056	42.5
83.04978	7.4
83.08624	14.4
85.02902	3.1
85.06557	2.9
85.27216	2.7
91.05489	35.5
93.07047	38.4
95.04974	14.8
95.08608	31.3
97.06542	2.9
97.10175	15.8
105.07042	24.1
107.04949	6.1
107.08614	26.4
109.06514	5.6
109.10162	11.4
117.07022	16.3
119.08601	21.2
121.06468	3.8
121.10128	14.5
123.08044	6.7
125.09615	13.0
127.84644	2.9
128.06207	3.6
129.07027	11.6
131.08557	21.8
133.10141	16.8
134.39284	2.5
135.08081	5.4
135.11696	10.0
141.06995	3.1
142.07869	3.2
143.08546	14.4
145.06480	2.8
145.10126	22.3
147.08023	3.2
147.11682	6.7
149.09602	3.7
149.13280	5.8
153.12794	3.0
153.53423	2.6
155.08626	4.8
157.10144	10.6
159.08083	3.5
159.11653	13.3
161.09666	3.2
161.13255	4.4
163.11214	8.7
163.68321	3.0
169.10155	5.7
171.11748	10.4
173.09738	3.8
173.13271	14.6
181.12257	3.5
183.11696	4.8
183.71201	2.9
185.13260	9.6
187.14842	4.1
189.11232	4.4
193.12321	4.0
195.11699	5.0
197.13344	4.9
199.14845	4.4
200.71848	3.1
209.13377	3.0
223.14861	3.1
227.12805	11.3
250.32071	2.6
259.61166	2.4
261.22089	3.0
299.23697	15.7
301.21579	3.1
357.23956	3.1
433.30930	5.6
451.32214	12.4
469.33084	8.6
515.37689	3.0
525.35797	15.1
535.71887	3.4
543.36829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01857	4.9
55.05509	17.7
57.03433	4.2
57.07071	2.7
59.05005	1.6
61.84230	1.5
67.05497	31.9
69.03429	3.0
69.07053	13.1
69.84693	10.1
70.06605	2.0
71.04995	2.5
79.05488	23.8
81.03429	5.8
81.07046	25.2
83.04990	3.2
83.08615	10.0
85.06558	1.9
86.09705	9.4
88.74092	1.5
91.05470	21.7
93.07033	21.3
95.04976	10.2
95.08595	18.3
97.06535	3.4
97.10145	9.2
103.05472	1.6
105.03394	1.7
105.07019	21.0
105.07581	1.8
107.04955	2.2
107.08584	11.0
109.06554	2.0
109.10142	9.7
111.08093	1.8
115.05418	2.7
117.06992	12.1
119.08581	13.8
120.03107	1.4
121.06483	2.8
121.10162	5.2
123.08062	2.7
123.11731	3.8
124.99976	8.3
125.09637	5.4
128.06235	3.5
129.06990	10.5
131.08549	17.6
133.06503	1.8
133.10114	10.6
135.08034	4.2
135.11716	6.2
137.09659	2.0
141.07047	2.5
142.07826	3.1
143.08536	12.2
145.06467	3.0
145.10117	14.0
147.08060	1.8
147.11684	6.9
149.06026	4.2
150.06343	3.7
155.08557	8.7
157.10115	13.6
159.08073	4.0
159.11723	12.3
161.09633	2.0
161.13263	2.4
163.11276	2.8
167.08574	2.8
169.10117	9.7
171.08035	2.2
171.11639	9.2
173.09727	3.5
173.11926	2.0
173.13315	5.5
175.11183	3.2
181.10141	4.4
183.11690	9.8
184.07338	25.2
185.07712	6.0
185.09512	2.3
185.13295	7.2
187.14903	2.3
189.11261	4.6
193.12292	2.1
195.11816	2.5
197.13298	6.5
199.11426	2.0
199.14825	4.3
209.13277	2.1
211.14865	3.2
223.15009	3.4
227.12752	3.6
228.23233	4.2
259.20581	3.4
265.19614	2.0
267.16052	3.0
275.20123	2.2
283.20520	2.9
297.22067	3.2
299.23834	5.9
305.14426	2.3
342.10532	3.2
377.62552	1.8
415.30170	3.4
423.32300	2.0
433.31052	7.3
451.31885	13.8
469.33530	4.3
515.36926	2.0
525.35785	19.4
543.37000	100.0
544.37506	2.8
573.42841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
53.28106	0.8
55.01859	4.1
55.05509	15.5
57.03428	3.8
57.07052	1.2
65.03925	1.8
67.05501	39.7
69.03427	1.8
69.07065	10.3
71.04994	2.2
71.59244	1.2
73.02887	1.4
77.03888	0.9
79.05489	46.7
81.03408	3.6
81.07051	38.2
83.04977	3.7
83.08605	9.1
91.05477	25.0
93.07035	58.9
95.04967	11.2
95.08599	46.2
97.02882	3.8
97.06519	4.9
97.10175	1.7
99.04457	2.9
103.05466	1.9
105.04498	1.4
105.06338	0.8
105.07022	16.2
107.04927	7.3
107.08585	36.8
109.06541	3.1
109.10154	7.0
111.04457	1.1
111.08049	1.3
117.07010	13.2
119.08579	14.2
121.06493	4.5
121.10130	23.3
123.08010	1.3
125.06004	2.4
128.06213	1.7
129.06985	1.1
130.07829	2.3
131.08556	6.6
133.10129	7.6
135.08063	2.6
135.11685	48.9
139.07556	1.5
143.08542	2.2
145.10114	29.1
147.11702	3.3
149.13281	3.7
153.12805	1.2
159.11700	3.6
161.13292	2.2
163.11168	59.3
163.14815	1.5
171.11726	1.1
173.13260	1.8
181.12239	16.3
181.19434	0.9
187.14828	1.6
209.11729	1.0
227.12764	100.0
243.21030	1.8
261.22083	7.3
262.75806	0.9
283.15149	1.1
283.67081	1.0
317.24786	2.4
389.76511	0.8
493.84454	0.9
525.36383	0.9
543.36804	44.7
544.37262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01859	3.8
55.05510	18.7
57.03421	3.1
57.07061	2.1
65.03926	2.7
67.05499	45.6
69.03426	2.0
69.07063	14.3
69.36298	10.9
71.04987	3.5
71.08636	1.4
79.05487	53.8
81.03423	3.6
81.07051	44.8
83.04959	3.7
83.08612	11.7
85.06529	1.6
91.05475	34.4
91.06015	2.4
93.07035	62.6
94.65760	1.3
95.04966	10.7
95.08601	55.4
96.82963	1.1
97.02898	3.6
97.06512	5.4
97.10170	3.0
99.04448	3.7
103.05452	1.6
105.04501	1.2
105.07027	20.3
107.04942	10.2
107.07863	2.6
107.08587	46.1
109.06525	4.7
109.10146	9.2
111.04428	1.6
111.08086	2.9
111.10796	1.1
113.09683	1.1
115.05438	1.4
116.06276	1.6
117.07001	15.9
119.08578	19.5
121.06461	6.8
121.10132	25.6
123.11738	2.4
124.98774	1.1
125.06030	3.0
125.09621	2.3
128.06174	2.0
129.07004	4.7
130.07784	2.6
131.08589	10.0
133.10104	9.9
133.89192	1.0
135.08041	3.3
135.11678	48.7
137.09636	1.3
139.07512	1.4
143.08571	4.0
145.10103	36.1
147.11687	4.1
149.09567	1.3
149.13258	4.7
157.10091	2.1
159.11746	6.0
161.13261	3.5
163.11166	62.6
163.14833	1.8
171.11766	2.3
173.09589	1.9
173.13264	3.8
181.10667	1.9
181.12210	14.8
183.11702	1.4
185.13341	1.4
187.14806	2.8
191.10660	1.7
201.72563	1.1
209.11732	4.0
227.12759	100.0
243.20982	2.4
244.52013	1.2
261.22015	5.9
266.38446	1.1
299.23737	3.0
317.24628	2.3
325.21600	1.2
433.30978	2.1
451.32202	1.9
469.32990	1.9
489.73975	1.2
525.35608	4.0
527.87213	1.2
532.52423	1.2
543.36816	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.0
53.57288	7.1
55.01877	36.2
55.05501	29.9
57.03434	41.9
58.74226	7.0
59.40434	6.4
61.02927	49.5
62.14931	7.3
67.05503	95.8
69.03423	42.4
69.07057	31.0
71.04989	17.3
71.58583	13.4
73.02905	17.6
79.05490	70.9
81.03407	53.7
81.07056	71.9
83.04984	42.1
83.08622	17.9
85.02905	57.8
85.06502	10.6
91.03953	30.4
91.05481	94.9
93.07040	62.6
95.04969	88.6
95.08604	53.5
97.02872	58.2
97.06512	12.2
99.04439	17.8
101.02381	11.2
105.07012	83.3
107.04943	100.0
107.08596	42.9
109.02883	13.6
109.06532	37.6
109.10143	19.9
111.04443	12.4
111.08103	9.9
112.05247	8.6
113.06001	14.8
115.05424	16.5
117.07020	40.1
119.08578	36.8
121.02879	13.4
121.06512	22.0
121.10134	24.7
122.07290	19.1
123.04447	16.7
123.08053	13.7
125.05987	14.4
127.03925	34.3
129.06961	17.5
131.07724	7.2
131.08553	44.8
133.06490	32.9
133.10123	19.6
135.08060	21.0
135.11670	8.7
137.09685	14.3
143.08560	23.4
145.06500	16.9
145.10158	29.7
147.08017	46.7
147.11696	13.7
149.02332	61.2
149.05951	17.8
149.09540	7.9
153.07028	8.8
155.08546	15.0
159.08067	10.7
159.11694	17.7
161.05974	11.2
161.09618	30.1
161.13242	14.8
163.07553	22.4
163.11214	18.2
165.09129	10.8
169.10104	10.6
171.11655	12.1
175.11171	17.6
187.11215	8.3
189.09068	9.3
205.08571	11.2
205.12265	7.8
205.15898	10.6
215.14355	8.3
217.15907	7.4
230.59283	9.1
233.08061	10.8
233.15265	35.1
251.16356	13.1
261.14868	8.5
271.09488	8.7
273.18423	29.4
290.18732	21.9
291.19440	10.9
293.12839	9.2
307.19162	14.0
335.18533	42.0
381.22751	35.8
543.23175	17.8
543.31854	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65266	1.1
55.05484	1.0
67.05509	1.7
69.03419	2.7
69.07055	1.9
70.06585	2.3
70.23814	1.2
70.24148	4.3
79.05482	1.5
81.03404	2.7
81.07045	2.4
83.04990	1.5
83.08598	1.2
85.02901	2.1
85.06551	1.3
85.07646	1.2
86.09687	1.9
91.05467	3.4
91.06063	1.0
93.07014	1.4
93.56194	0.9
95.04942	1.5
95.08600	3.5
97.02876	1.8
99.04404	1.0
104.47903	0.9
105.07008	2.3
107.08594	2.2
109.02892	1.2
109.06512	1.2
109.10148	1.5
121.02822	1.1
121.10142	1.4
123.04404	1.1
123.08105	1.1
127.03931	1.9
131.08588	1.8
133.10132	1.7
135.08061	1.0
135.11694	1.4
137.05989	3.5
151.03964	1.6
156.80820	1.0
163.03886	1.6
167.07117	1.1
167.84053	1.0
175.07530	1.0
208.09721	1.9
239.11526	1.0
277.16748	3.3
277.21280	1.1
295.18417	8.7
338.64420	0.9
403.14755	1.0
421.16647	1.6
439.22641	2.2
457.23767	10.2
481.23944	2.2
499.25119	43.9
500.25946	1.9
525.23053	4.0
543.24097	100.0
543.31189	7.0
544.24280	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45324	2.9
71.57712	5.4
74.45337	2.5
102.70940	3.1
109.87216	2.4
118.06550	21.4
125.74857	2.8
129.44469	2.5
132.08090	6.6
142.06482	2.7
143.07344	3.6
144.08107	13.1
146.06006	62.3
151.95155	3.1
154.20955	2.8
159.09157	7.6
170.05962	4.0
185.26419	2.7
188.07062	100.0
205.09741	34.4
279.60611	2.8
392.71927	2.9
454.95953	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.6
69.18703	1.5
70.46632	1.4
71.57357	1.4
73.05685	1.4
79.40182	1.6
82.49429	1.4
85.02892	2.0
89.03902	2.4
89.23507	1.8
91.05454	2.6
97.02859	2.4
98.97577	1.8
103.05467	7.3
107.04939	3.1
120.08102	100.0
131.04942	4.0
135.04453	3.4
136.06195	8.5
136.07562	1.6
147.00981	1.4
147.04347	2.2
149.05963	2.8
154.44344	1.7
161.01218	1.9
163.03874	14.0
166.08636	42.4
179.07024	2.2
297.19186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
55.52993	0.6
56.05030	1.0
57.03429	0.5
58.06583	0.8
59.07402	0.6
60.08160	5.2
63.27852	0.5
67.05497	4.0
68.12595	0.5
69.07055	2.0
69.49829	1.3
69.50240	3.6
71.07370	4.5
74.56596	0.5
79.05483	1.8
81.07050	5.2
83.08605	0.8
85.18803	0.5
86.09699	20.8
91.05494	1.4
93.07058	1.6
95.04962	0.5
95.08611	3.6
104.10739	100.0
105.06998	0.6
107.08634	0.8
109.10158	1.5
119.08582	0.6
120.03341	0.5
121.10154	0.7
133.10115	0.6
146.98160	11.3
155.55992	0.6
155.84172	0.5
161.13239	0.6
164.99165	0.7
337.27350	2.5
359.25784	0.6
483.24808	53.8
542.32239	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10991	1.2
63.15439	1.3
69.03432	2.9
71.57544	1.9
74.54456	1.1
85.02901	5.4
97.02856	2.1
98.97564	3.8
103.13319	1.1
116.98605	1.4
119.52133	1.0
121.10078	1.1
127.03896	2.3
128.98627	1.8
131.00183	1.3
139.40648	1.3
145.04948	1.3
158.05945	1.3
163.03906	1.1
177.00714	1.5
185.45187	1.4
189.00748	1.4
201.00703	2.7
219.01819	3.8
237.02831	2.4
261.02829	4.2
279.03885	2.2
301.55396	1.2
363.06723	3.1
381.07928	19.3
446.45801	1.4
543.13171	100.0
544.13428	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
53.46545	2.3
55.05482	3.9
65.03986	2.2
65.82248	2.2
67.05491	9.5
67.56419	2.0
68.05016	2.5
68.82175	2.0
69.02978	1.9
69.03427	5.6
69.07059	4.1
69.47330	12.8
69.47756	7.0
70.06596	5.7
71.05016	2.5
72.08148	3.6
79.05477	7.5
80.05009	3.3
81.03432	3.6
81.07037	7.3
82.06573	18.3
83.04965	3.2
84.08163	2.7
85.02881	5.3
85.06516	2.7
86.06057	2.7
91.05477	8.3
93.07053	13.9
94.06573	11.5
95.04978	4.2
95.07345	12.8
95.08590	7.4
96.08121	23.8
97.06535	4.1
105.07028	3.0
107.08602	6.2
108.08100	21.1
109.02889	4.0
109.10153	9.8
110.06155	2.1
110.08925	2.7
110.09679	46.5
110.10403	4.0
111.08098	4.4
116.10714	5.5
119.08551	2.8
120.08093	28.3
121.06501	2.1
121.10108	4.0
122.06013	3.4
124.07558	4.9
125.43462	2.3
127.03930	3.4
128.07074	92.2
133.10139	5.7
134.74577	2.3
135.08099	3.4
135.11678	4.7
136.07565	13.2
137.02316	2.5
137.09535	2.3
138.05525	4.4
138.09131	55.6
146.06017	12.1
148.07549	10.7
154.08614	2.9
160.29820	2.0
166.04922	2.5
166.08638	100.0
167.07109	2.3
174.05527	5.6
175.14792	4.2
188.09146	3.5
204.06618	3.2
206.08191	6.1
208.09700	7.2
211.08575	3.6
215.33139	2.1
223.08627	3.9
225.10318	4.1
226.14626	2.3
237.10158	11.3
239.08110	4.7
239.11827	2.7
239.85860	2.4
241.09679	7.0
251.08060	3.4
253.09663	14.9
254.10109	2.5
255.11195	4.0
265.09650	23.1
267.07602	5.0
267.11301	6.8
281.09271	15.3
283.10663	14.0
287.10333	3.8
293.09225	21.1
295.10760	17.2
297.08710	3.1
299.10342	4.3
301.11816	7.5
311.10245	16.9
313.11905	8.9
321.08710	7.9
325.11804	3.2
327.09683	14.0
332.13474	5.6
339.09729	21.0
341.11142	4.5
353.11365	6.2
359.12311	24.9
361.36215	2.5
371.12396	18.4
436.18008	2.8
446.16898	9.5
448.18723	3.5
464.18085	33.7
466.19675	7.0
474.16586	7.0
478.19583	2.6
482.27167	2.4
492.10419	2.7
492.17688	46.3
493.17636	4.7
499.25037	3.0
506.19223	4.6
510.18442	4.9
524.20416	12.7
542.21490	16.3
542.29535	39.7
543.23486	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58249	4.1
53.03943	7.0
55.05514	23.0
57.07084	5.2
65.03951	3.9
67.05508	75.9
69.07063	15.8
70.06593	4.7
71.20251	7.3
79.05497	100.0
80.25620	4.3
80.93013	4.2
81.03416	9.7
81.07057	66.7
83.04987	7.3
83.08617	10.2
88.07677	6.3
91.05486	69.5
93.07049	71.6
95.04974	18.8
95.08611	47.1
105.04472	4.7
105.07034	39.8
107.08598	31.1
109.06503	5.1
109.10162	12.2
117.06992	9.9
119.08578	34.4
121.10155	15.1
123.08010	7.2
129.07021	17.3
131.08556	16.0
133.10136	9.3
135.11668	9.5
143.08574	13.2
145.10129	16.4
147.11703	23.5
149.13245	4.5
157.10112	5.4
159.11719	6.9
161.13272	10.9
171.11714	19.3
173.13202	4.5
189.12704	6.3
207.13857	12.0
212.22302	4.7
215.11288	3.9
243.14438	3.9
256.26431	4.4
261.22409	6.4
332.48245	3.8
334.95163	3.9
360.27524	4.5
540.53046	5.5
541.38904	60.4
541.53943	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.3
55.05513	32.0
57.03421	4.7
57.07077	8.2
58.02107	3.5
65.03928	8.2
67.05508	68.6
69.07068	16.5
69.18967	5.1
69.89338	8.1
69.89754	18.4
79.05066	7.1
79.05495	100.0
81.03416	12.1
81.07060	59.2
83.04965	9.5
83.08625	9.5
91.05486	71.4
93.07041	87.6
95.04974	22.2
95.08617	40.0
97.06533	3.9
97.10145	5.9
105.07030	49.7
107.04935	4.4
107.08616	26.5
109.06483	8.4
109.10170	11.7
112.84267	3.7
117.07018	11.3
119.08571	25.7
121.10159	18.5
123.08051	6.5
128.06187	5.2
129.06985	13.5
131.08580	16.6
133.10117	15.5
135.11702	11.9
143.08510	9.2
145.10117	16.6
147.11684	29.4
159.11696	5.4
161.13318	11.6
169.10144	4.1
171.11736	23.6
173.13257	5.8
183.11600	4.0
185.13300	4.5
189.12788	6.7
197.13274	5.1
207.13844	17.1
256.26312	8.7
261.22195	4.7
290.78427	3.7
421.15402	4.5
541.38995	70.1
541.53876	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08374	1.6
53.03940	2.4
55.01886	2.1
55.05502	12.5
57.03439	2.0
57.07064	4.5
65.03960	2.3
67.05496	13.7
69.03433	16.9
69.07070	22.3
69.41193	8.5
69.41613	5.7
70.06596	9.3
71.04984	9.4
72.08147	1.7
73.06563	2.1
79.05473	10.2
81.03404	5.6
81.07053	67.5
82.06573	3.0
83.04974	6.2
83.08617	6.0
84.08131	4.5
85.02908	12.0
85.06541	100.0
86.09718	8.6
91.05479	14.0
93.07034	25.6
95.04958	5.5
95.08604	33.0
97.02885	4.8
97.06519	14.0
97.10172	3.9
98.21507	3.7
99.04456	2.6
99.08094	5.4
101.77191	2.0
103.05505	1.9
104.10748	3.7
105.07031	45.6
107.08591	29.5
109.02881	4.9
109.06521	7.3
109.10147	32.1
111.08068	8.3
113.05990	6.8
113.09624	2.0
117.06995	3.1
119.08562	22.0
120.08099	1.8
121.06519	2.1
121.09319	2.8
121.10136	31.7
122.06046	2.7
123.08076	4.0
123.11713	25.5
124.07574	2.8
125.00033	2.4
125.05968	1.7
125.09661	5.3
127.03921	6.7
128.07089	8.3
129.07303	2.4
130.45454	1.7
131.08543	3.4
133.10135	10.0
135.08031	2.8
135.11699	12.3
137.05981	3.1
137.09613	4.2
137.13289	5.6
138.09111	3.5
139.11177	21.4
140.07050	2.3
141.12733	3.1
143.08549	1.9
145.04903	2.5
145.10136	5.0
147.04337	2.5
147.11679	57.2
148.12006	1.9
149.13258	7.3
151.11189	3.3
153.12761	10.0
159.11653	3.2
161.13246	4.4
162.09135	3.2
163.07472	2.6
163.14824	9.9
165.12743	37.0
165.67488	1.8
173.13179	2.0
177.16362	4.0
181.02409	1.9
183.13802	94.6
184.07291	8.8
184.14159	2.1
187.58122	1.7
203.17958	11.3
208.09692	5.1
213.51262	1.7
215.17987	3.4
221.18965	17.5
233.19040	6.9
234.56303	1.8
237.10033	2.8
238.10487	3.5
239.20059	32.8
251.11716	5.8
251.20071	27.6
252.12206	5.5
253.09679	3.1
254.10143	3.2
257.21085	3.3
261.12177	1.8
265.09787	4.0
266.10251	3.6
267.11102	2.2
269.21271	2.5
271.24301	2.6
278.10306	2.1
279.11270	5.8
280.11746	4.4
281.12439	2.0
283.10782	2.5
289.25369	4.2
293.21075	1.8
294.09717	4.0
298.12680	4.0
303.10065	2.5
307.26334	8.7
312.10730	3.4
312.14288	1.9
325.11880	3.0
325.27316	3.3
326.12167	5.9
327.13385	5.0
328.13852	9.0
332.61572	1.8
339.13342	7.6
340.13593	14.8
341.14340	2.1
349.10559	2.0
351.14572	1.9
353.11401	3.3
354.11301	2.0
367.12756	3.4
368.13208	7.1
379.11880	3.6
385.13928	5.9
386.14423	12.7
399.15305	2.1
400.15988	12.4
497.23590	4.3
509.21259	2.9
523.22021	4.0
533.83423	2.0
541.22845	60.6
542.22479	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43687	0.7
61.02922	0.9
70.06559	1.8
71.57958	1.7
74.14777	0.7
80.13371	0.8
84.08112	1.2
91.05474	0.9
93.07045	1.1
110.30611	0.7
125.85776	0.6
131.14377	0.8
153.63356	0.7
179.76448	0.8
223.53607	0.8
270.70792	0.7
302.59000	0.7
317.08661	0.8
335.09799	3.2
409.18179	1.3
447.82849	0.8
541.22510	100.0
542.22858	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65349	0.6
55.01851	1.0
55.05496	2.4
57.03415	0.7
59.72987	0.7
60.04253	0.7
60.04513	3.6
63.28891	0.6
67.05499	2.8
69.03427	3.1
69.07070	2.3
70.06594	0.8
71.19499	1.1
71.19817	0.6
72.08147	6.3
73.02901	0.6
75.16033	0.7
79.05480	1.8
81.03413	2.0
81.07056	6.6
83.04957	0.7
83.08603	1.4
85.02902	4.1
85.06540	1.5
86.09712	0.8
87.00827	1.0
87.05585	2.1
91.05475	2.7
93.07025	4.1
95.04939	1.1
95.08600	5.5
97.02903	2.1
97.06514	1.3
99.04453	1.3
103.05444	1.7
105.01831	0.9
105.07021	2.5
107.08569	3.4
109.02869	1.5
109.06495	1.2
109.10176	3.7
111.04419	0.9
111.08054	0.8
112.81110	0.6
114.09142	5.0
115.05388	0.6
117.07013	0.8
117.54418	0.5
119.08575	2.3
120.08102	41.3
121.06500	0.8
121.10155	1.8
123.08080	1.2
123.11713	1.9
125.09676	0.6
127.03915	2.6
129.07042	0.9
131.08571	1.1
132.75317	0.7
133.10144	2.2
135.11714	1.4
137.13235	0.8
142.08647	2.9
144.08098	1.9
145.10147	1.7
147.08026	0.8
147.11670	1.8
149.13304	1.3
155.08574	0.8
159.11763	1.6
161.13354	0.7
162.09154	2.1
163.07570	0.9
166.08597	0.9
199.14795	0.9
207.11284	8.4
211.10847	2.1
227.18623	0.8
229.11916	2.6
231.05022	0.7
235.10796	3.1
313.15497	1.6
335.83054	0.6
342.28360	0.6
358.17789	0.8
379.24484	3.6
401.30145	0.6
541.29828	100.0
542.29993	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52001	0.6
56.40561	0.6
56.96564	7.0
70.93641	2.0
71.95238	1.1
97.02874	1.1
98.96936	1.5
98.97578	37.7
116.98618	54.8
126.94132	0.6
134.99652	51.2
140.00174	1.5
153.00696	12.7
158.01231	2.5
172.94412	1.0
190.95370	4.1
202.13582	0.7
208.15706	0.7
208.96420	2.9
214.95418	1.2
232.96475	7.4
234.99634	1.0
250.97507	7.9
256.96420	13.6
256.98941	1.2
258.99713	6.4
261.03000	1.5
274.97504	95.2
275.97766	1.4
276.97861	1.3
277.00800	16.6
279.00861	0.9
292.98550	100.0
294.98862	0.8
297.99100	7.6
298.97498	0.9
300.02304	1.0
301.01062	2.7
310.99738	1.7
316.00116	5.7
316.98776	4.5
317.99026	1.3
332.96506	1.9
349.12750	0.7
373.07916	0.9
374.98187	0.8
382.99661	1.0
398.97519	15.3
401.00955	4.1
408.98135	0.8
416.98682	53.1
417.99057	1.3
430.31302	0.8
434.99792	16.8
440.00317	5.2
444.02148	1.4
456.96512	1.6
458.01489	1.1
458.99561	1.5
460.00366	1.1
474.97839	1.2
499.00070	1.2
540.98694	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49508	1.0
55.05498	1.2
60.04506	1.0
62.76942	0.9
67.05510	1.7
69.03409	3.1
69.07053	1.2
69.26218	9.3
69.26627	1.7
70.06587	2.4
80.03683	1.0
81.03413	1.8
81.07043	2.3
83.04948	1.2
85.02896	7.9
86.09682	2.1
91.05462	4.3
93.07043	2.2
95.04976	1.7
95.08566	1.1
97.02880	2.4
97.06451	0.9
98.20733	2.0
105.07014	2.6
107.04890	1.0
109.06506	1.2
119.04964	1.7
119.08553	1.5
121.06495	1.7
127.03863	1.8
129.07025	7.6
131.04924	1.7
131.08539	8.1
137.05980	15.6
141.06947	6.5
143.08530	1.9
145.04938	1.7
145.06407	1.3
149.05971	2.6
151.07547	12.4
157.06459	7.1
158.07281	4.4
159.08017	5.9
163.03914	1.3
163.07524	2.8
165.09019	1.1
167.08580	1.3
169.06483	2.4
170.07320	1.0
174.06772	14.9
175.07581	4.6
184.07375	2.0
186.06764	3.4
189.09085	28.1
191.10725	1.4
195.08049	2.5
201.09053	9.2
207.10132	1.5
219.10147	100.0
223.07588	1.5
225.09073	1.6
227.10626	3.7
253.08519	1.2
254.67426	1.0
255.10075	5.0
257.17407	1.1
262.10727	2.5
273.95169	1.0
285.11285	1.5
287.12790	7.6
313.14313	7.0
319.04593	1.2
331.15381	18.0
397.18106	1.1
498.08185	1.3
540.28711	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05502	1.3
61.90188	0.4
63.30623	0.4
67.05495	1.7
69.03410	0.6
69.07068	10.6
70.06570	0.6
71.04993	2.0
72.05315	0.5
73.64246	0.4
79.05482	1.1
81.03409	0.6
81.07063	2.4
81.44197	0.4
85.02900	1.4
86.09702	0.7
91.05462	0.7
93.07037	1.0
94.06571	0.7
95.04958	0.7
95.07329	0.4
95.08598	1.8
97.02870	0.6
97.06550	0.6
105.07021	0.6
107.08611	0.9
108.08120	1.0
109.06508	0.9
109.10155	0.9
119.08605	0.9
120.04439	0.6
120.08093	0.6
121.10162	0.6
122.06019	1.6
124.07566	0.9
126.09142	1.0
129.10204	0.5
134.06009	0.6
135.11737	0.6
138.05499	0.5
140.07071	7.7
145.10138	0.8
146.06027	0.7
149.02338	1.1
150.05548	0.5
152.07091	1.0
154.08630	7.3
155.08458	0.4
160.07597	0.8
165.09138	2.3
168.10196	0.6
169.12123	0.5
172.03966	0.8
176.10748	0.7
181.24419	0.5
187.80244	0.4
192.09953	0.4
194.08092	0.8
204.06555	0.4
206.04538	1.9
206.08174	0.5
208.09796	0.5
209.10841	0.5
211.08748	0.4
216.10164	1.0
225.10287	2.0
226.11086	0.5
227.11829	0.6
235.08614	0.7
236.09499	0.9
237.10228	3.6
238.11040	1.2
238.22516	0.6
239.08208	0.6
239.11821	1.4
243.11263	1.6
244.65331	0.5
248.09291	0.9
248.15181	1.0
249.10233	1.8
250.11029	0.5
251.08157	0.9
251.11787	2.9
252.12611	1.4
253.09726	6.9
253.12479	0.6
253.13356	0.7
255.23270	0.6
256.23569	0.8
263.11850	1.2
264.08875	0.9
265.09698	4.7
266.10690	0.6
267.11249	3.9
268.11969	0.5
277.09653	0.7
278.06683	0.5
278.10568	0.9
279.08130	0.7
279.11246	4.4
280.11981	2.2
281.09299	0.8
281.12836	1.5
283.10718	0.9
285.12299	2.7
286.13202	0.7
291.11063	0.5
293.09225	3.1
293.12558	0.8
294.10016	0.7
295.10779	3.1
295.14444	2.5
296.11526	1.3
297.09079	0.7
297.12250	4.6
301.15414	0.8
303.13440	2.8
306.09750	1.0
307.10669	1.7
309.08942	0.7
309.12204	3.2
310.13025	0.4
311.10211	2.3
311.13882	2.4
312.11084	4.7
313.11835	1.9
324.11145	0.7
325.11792	5.7
326.12726	0.9
327.13394	19.2
328.14120	1.7
332.13925	0.6
335.10327	2.1
337.11926	2.4
339.13376	21.7
340.14194	2.2
341.14871	1.0
353.11276	5.5
354.11960	2.4
362.14908	0.6
367.12903	12.1
368.13602	2.6
369.14594	1.2
374.14905	0.6
385.14078	0.7
392.15973	0.7
406.17667	0.6
420.15491	0.9
424.18805	0.7
430.13806	0.6
434.17014	0.8
435.17920	1.5
440.21893	0.8
448.18909	0.5
450.16187	0.5
452.17938	3.8
465.18591	0.7
467.20465	5.4
476.18115	3.3
480.21277	7.3
490.15485	2.7
508.20792	100.0
509.21143	2.9
522.18237	0.9
522.31403	0.6
526.21887	1.6
540.23529	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.3
68.23131	0.6
69.03418	2.2
69.07066	12.1
69.32528	4.5
69.32953	2.0
71.04988	1.7
79.05489	0.8
81.07043	3.0
85.02894	0.9
86.03376	0.6
86.09703	0.9
89.37116	0.6
89.49363	0.7
92.15804	0.7
93.07040	1.5
94.06522	1.1
95.08599	2.5
95.23911	0.8
96.08922	0.8
97.02899	1.1
99.04391	0.6
105.01853	0.7
105.07007	0.8
107.08601	1.6
108.08134	1.2
109.10153	2.1
119.08528	0.6
120.49368	0.6
121.10120	1.3
122.06032	1.5
123.06819	0.9
123.11720	1.6
126.09135	0.8
133.05031	0.7
133.10144	1.7
135.11697	1.9
136.07515	0.8
140.07053	9.8
146.06006	1.0
146.93773	0.6
149.05933	0.9
154.08635	4.4
167.07043	0.7
168.10263	0.7
175.14952	1.4
177.16275	0.7
193.15889	2.0
194.08202	0.9
199.12370	0.8
211.16895	4.1
225.10213	2.8
226.10994	0.8
236.09387	1.1
237.10150	4.2
238.10999	1.1
238.22502	1.9
239.11717	0.9
248.09276	1.2
248.15302	2.1
249.10313	1.3
250.11044	1.1
251.08099	0.8
251.11700	3.9
252.12529	1.0
253.09735	6.4
253.13571	0.8
256.23645	1.3
263.11993	0.9
264.08847	1.1
265.09665	4.6
266.10510	1.4
267.11301	5.2
268.12088	1.0
275.13870	0.8
278.10538	1.4
279.08551	1.0
279.11200	5.0
280.12015	2.4
281.09406	1.3
281.12952	1.9
283.10678	1.7
285.12274	1.5
291.11176	0.8
293.09116	2.5
293.12677	1.5
294.10074	1.1
295.10837	3.1
295.14465	3.3
296.11578	1.0
297.12262	6.4
301.15387	1.3
306.09671	1.5
307.11032	0.8
309.12280	2.7
311.10364	1.9
311.13876	1.3
312.11005	4.0
313.11746	2.0
314.12555	0.8
321.12329	0.8
324.11038	1.2
325.11829	7.6
326.12665	1.2
327.13345	20.3
328.14014	1.1
335.10214	1.3
337.11743	2.9
338.12375	1.0
339.13367	22.1
340.14111	2.5
341.14932	1.4
351.48987	0.8
353.11337	5.0
354.12030	2.1
367.12866	11.1
368.13675	3.1
373.95325	0.7
385.14142	1.6
386.28336	0.8
392.16208	0.8
424.18777	1.0
435.18280	2.0
452.18210	3.9
467.20508	5.3
476.18231	2.3
480.21207	8.8
500.21555	0.8
508.20776	100.0
509.20898	3.8
540.23138	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69864	0.4
55.05495	0.4
55.87423	0.4
63.76033	0.4
67.05481	0.7
69.03430	1.1
69.06722	0.7
69.07066	8.2
69.88844	2.3
70.06588	0.5
71.05006	0.9
72.00769	0.4
72.18073	0.4
75.48978	0.3
79.05490	0.4
81.03396	0.6
81.07038	0.5
85.02886	0.9
93.07030	0.6
94.06551	0.7
95.04922	0.5
95.08591	0.7
97.06537	0.5
98.21432	0.5
108.08084	0.6
109.02866	0.5
110.10477	0.5
119.27265	0.4
120.04461	1.0
120.08061	0.7
122.06036	1.1
124.07592	0.6
126.09182	0.5
137.05984	0.5
140.07065	6.5
146.05978	0.8
149.02370	1.4
152.07069	0.6
154.08618	6.1
157.71237	0.4
165.09099	1.2
166.08701	0.4
172.03873	0.5
174.09103	0.4
187.12225	0.4
194.08221	0.5
196.09940	0.4
199.12357	0.4
203.11786	0.7
206.04520	0.7
206.08218	0.6
207.16025	0.4
216.10234	0.8
225.10107	2.1
226.10966	0.5
235.08646	0.7
236.09325	0.5
237.10251	2.9
238.10934	1.0
239.11673	0.9
241.09711	0.5
241.37553	0.5
243.11313	1.5
248.09274	1.2
248.15268	1.1
249.10252	1.1
250.11072	1.0
251.08096	0.5
251.11711	2.6
252.12633	0.7
253.09743	5.5
253.13524	0.5
255.11658	0.6
256.23532	0.8
263.11899	0.8
265.09729	4.6
266.10428	0.7
267.11343	3.5
268.12045	0.6
271.10623	0.4
277.09702	0.9
278.10565	1.2
279.08154	0.6
279.11206	3.7
280.11938	1.8
281.09369	0.8
281.12814	1.7
283.10977	0.9
285.12238	1.8
291.11221	0.5
292.11768	0.5
293.09253	2.0
293.12961	1.2
294.09894	1.1
294.13583	0.4
295.10822	3.1
295.14432	3.4
296.11530	1.6
297.12354	4.6
301.15439	0.8
303.13553	1.6
306.09659	1.0
307.10773	0.9
308.11456	0.4
309.12207	3.1
311.10303	2.0
311.13947	2.0
312.11008	3.4
313.11740	2.1
325.11819	4.7
326.12747	1.0
327.13373	18.0
328.14139	1.7
335.10123	1.9
337.11893	3.0
339.13391	20.1
339.17505	1.0
340.14139	1.8
341.14859	0.9
347.13828	0.6
349.15237	0.5
353.11227	5.6
354.12057	2.5
367.12823	12.2
368.13721	2.4
369.14490	1.0
385.13916	0.9
392.15927	0.7
393.14761	0.7
394.57294	0.4
402.14532	1.0
406.17651	0.5
420.15625	0.8
421.13968	0.9
424.18817	0.7
434.16962	0.6
435.18088	1.0
452.17828	2.7
467.20450	5.5
476.18036	2.5
480.21359	6.4
490.16263	1.5
508.20782	100.0
509.20993	3.3
522.18506	0.8
526.21765	1.4
540.23474	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.6
58.23912	0.4
67.05475	0.8
69.03391	0.9
69.07043	1.3
70.06550	0.5
71.58273	0.7
79.05446	0.8
81.03400	1.0
81.07047	0.7
82.06535	1.2
83.04974	0.7
83.08569	0.6
85.02874	1.3
91.05468	0.6
93.07024	0.7
94.06520	0.8
95.08579	0.8
105.06981	0.5
106.11686	0.5
107.08547	1.1
110.05949	0.6
119.08550	0.9
120.04427	0.9
122.05976	1.1
123.08021	0.6
128.07065	7.3
133.10066	1.8
135.07954	0.6
137.09566	1.7
140.07025	1.0
146.05971	0.9
152.07014	1.8
154.05016	0.6
154.08572	0.5
156.10135	1.4
163.03915	0.6
166.08574	0.6
168.10127	0.7
169.20804	0.5
176.10669	0.9
179.14270	0.5
188.09044	0.8
190.04832	0.8
194.08110	2.1
196.09680	0.7
202.08591	0.6
209.10686	1.3
211.12282	0.9
221.10695	1.4
222.07820	0.7
222.11398	0.8
223.08591	0.5
223.12119	2.3
224.09418	1.0
224.12871	0.5
225.10188	3.1
226.10999	0.7
234.09227	0.6
234.11369	1.0
235.08658	3.8
235.12108	0.6
236.09377	4.3
237.10225	11.3
238.10948	3.0
239.11702	1.4
240.12424	0.9
248.09315	1.3
249.10208	10.0
250.10985	5.2
251.07988	1.3
251.11774	19.6
252.08759	1.0
252.12610	2.9
253.09735	17.4
253.12764	0.9
253.13304	1.1
257.17471	2.5
261.10068	1.7
262.10938	0.9
263.08133	1.0
263.11752	2.6
264.08905	0.8
265.09702	20.8
265.12808	1.0
266.10416	1.9
267.11298	5.3
268.11951	0.8
277.09674	3.6
278.10495	7.1
279.07712	4.6
279.11261	23.8
280.11914	6.4
281.09314	1.1
281.12802	2.1
282.09830	1.2
283.10797	1.1
289.09546	1.3
291.11215	1.1
293.09158	5.5
293.12820	6.8
294.09979	3.2
294.13269	0.9
295.10706	3.5
295.14313	2.8
296.11627	1.1
296.14655	0.6
297.12259	6.1
306.09976	1.3
307.10776	4.0
308.11453	1.6
309.08768	1.2
309.12277	5.6
310.09354	0.5
311.10205	4.4
311.13922	3.0
312.11053	11.9
312.14539	0.6
313.11502	0.8
321.12280	0.8
323.13940	1.4
324.11035	4.2
325.11819	14.6
326.12466	1.3
327.13391	46.4
328.13824	1.3
332.13287	1.2
335.10135	3.3
336.11044	1.7
337.11810	5.0
339.13382	100.0
340.13895	4.2
341.14774	0.7
349.11520	0.5
350.14584	1.5
352.10464	1.5
353.11334	9.3
357.14441	1.0
367.12875	92.5
368.13556	9.0
371.16193	0.6
384.13440	0.7
385.13885	14.4
399.15527	18.2
400.16046	1.2
476.18185	4.4
480.21002	2.0
508.20782	78.1
509.21198	3.3
526.22180	2.3
540.22589	9.7
541.22449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03385	0.8
71.53294	1.4
81.03391	0.8
81.07034	1.4
85.02891	1.3
86.09685	1.0
92.76044	0.6
95.04950	0.7
95.08633	0.7
101.65652	0.7
105.06984	0.7
107.08598	1.2
111.22698	0.7
122.06029	0.9
124.07615	0.7
128.07051	4.7
133.10103	0.7
133.57237	0.8
135.43095	0.9
140.07077	1.6
146.06012	1.1
152.07047	1.7
161.13312	1.0
176.10657	1.1
194.08087	1.5
209.10747	1.6
223.12334	1.8
224.09396	0.9
225.10191	4.0
235.08589	3.6
236.09459	3.9
237.10205	9.9
238.10921	1.6
239.11794	1.2
240.12561	1.3
249.10155	7.7
250.11020	4.4
251.08170	1.6
251.11777	17.7
252.12506	2.2
253.07356	1.4
253.09712	12.0
253.12433	0.9
253.13483	1.1
257.17511	1.7
261.10199	2.0
263.08432	0.7
263.11807	2.9
264.08978	0.9
265.09695	19.4
266.10544	1.4
267.11313	5.7
277.09680	3.6
278.07468	0.8
278.10529	5.7
279.07730	4.7
279.11282	24.1
280.12061	4.7
281.12802	2.1
283.10660	1.8
285.12030	1.1
289.09775	0.8
291.11298	0.9
293.09210	5.4
293.12848	4.7
294.09808	2.8
294.13351	1.3
295.10709	3.3
295.14380	1.6
296.11301	0.9
297.12277	5.2
306.10071	1.0
307.10748	3.2
308.11603	2.0
309.12262	5.7
311.10226	4.0
311.13794	2.6
312.10986	10.8
312.14386	1.3
313.11255	1.0
321.12357	0.9
323.13928	1.3
324.10980	3.5
325.11813	15.0
326.12534	1.0
327.13382	45.6
328.13654	1.1
332.13373	1.0
335.10211	4.9
336.11105	1.6
337.11844	6.5
339.13376	100.0
340.13763	4.3
341.14984	1.0
352.10547	2.1
353.11346	9.9
357.14377	1.5
367.12869	86.2
368.13470	8.6
384.13153	1.0
385.13885	15.6
399.15512	16.0
400.15982	1.7
411.29510	0.7
476.18002	4.9
480.21152	1.8
508.20786	75.6
509.20947	3.1
526.21930	2.3
540.22961	9.0
541.22083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63647	0.7
64.14154	0.6
69.07050	1.5
69.43286	5.2
69.43698	1.7
82.06546	1.6
83.56674	0.8
87.09631	0.7
95.04913	0.8
116.46632	0.7
128.07059	5.9
133.10085	2.1
137.09557	1.0
140.07021	1.8
146.05998	1.4
152.07019	1.7
154.08580	0.8
156.10173	1.0
172.03952	0.9
194.08072	2.0
196.09738	1.0
209.10677	1.2
221.10733	1.2
223.12274	1.5
224.09410	1.1
225.10126	3.7
227.11723	0.7
235.08652	4.0
235.12192	1.2
236.09378	2.6
237.10207	11.4
238.10962	2.6
239.11850	1.3
240.12592	1.3
248.09328	1.2
249.10228	10.0
250.10970	5.4
251.07944	1.7
251.09088	1.0
251.11780	14.1
252.12553	2.4
253.09705	21.4
253.13629	1.2
254.10065	1.0
261.10233	1.4
262.10934	1.6
263.08231	1.2
263.11774	2.5
264.08908	1.5
265.09705	20.2
266.10425	1.2
267.11276	7.3
268.11807	0.8
277.09723	3.7
278.06473	1.2
278.10458	8.4
279.07669	4.8
279.11240	20.3
280.09198	0.9
280.12051	5.6
281.12689	2.9
283.10742	1.5
289.06134	1.4
290.06229	1.3
291.11053	1.1
293.09128	5.8
293.12820	6.5
294.09995	2.9
294.13226	0.9
295.10721	5.6
295.14386	4.3
296.11517	1.5
297.12320	5.8
306.09918	2.0
307.10797	3.4
308.11505	2.4
309.12155	5.6
311.10245	3.5
311.13953	3.4
312.11023	14.6
313.11270	1.0
323.13885	1.2
324.10864	3.5
325.11838	10.1
326.12625	1.0
327.13367	66.8
328.13834	2.6
335.10132	5.8
336.10904	1.6
337.11899	4.7
339.13364	96.8
340.13934	4.0
341.15033	1.0
350.14349	1.3
352.10583	1.5
353.11319	12.4
354.12137	1.5
357.30521	0.9
367.12854	95.3
368.13489	9.8
369.14218	1.5
385.13907	7.4
399.15485	13.2
467.20343	0.9
476.17975	3.3
480.21198	2.2
508.20755	100.0
509.20999	3.4
526.21832	1.6
540.22650	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
57.03416	0.6
57.07070	3.1
58.94596	0.5
65.76314	0.4
67.05525	2.6
69.03426	1.0
69.07081	0.8
69.43241	1.3
69.43662	3.9
71.08625	2.2
73.02911	1.6
79.05487	1.1
81.03419	1.2
81.07048	2.2
83.04984	0.5
83.08609	1.4
85.02861	0.4
85.10179	1.1
90.48134	0.4
93.07063	0.8
95.08610	2.8
97.10106	0.6
99.04443	0.6
104.10746	0.6
107.08601	1.1
109.02893	1.4
109.10160	0.9
111.04439	1.4
121.10033	0.6
127.03905	0.7
131.63255	0.5
142.01450	0.6
145.10155	0.7
183.70586	0.6
184.07524	0.6
191.00058	0.8
209.11703	0.7
223.68999	0.5
239.23734	1.8
312.28067	0.7
313.27396	0.8
507.89331	0.6
539.31909	100.0
540.32233	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01863	0.9
55.05514	7.3
57.03406	2.8
57.07082	4.8
62.20222	0.6
67.05502	9.6
69.07074	4.4
69.42134	6.6
71.08601	2.2
72.08937	1.1
79.05078	0.7
79.05487	8.6
81.03388	2.8
81.07059	11.3
82.03712	0.7
83.08613	4.1
85.06512	0.7
85.10146	1.9
91.04965	0.9
91.05467	10.7
93.07040	7.7
95.04926	2.3
95.08604	8.5
96.08952	0.7
97.06498	1.6
97.10146	1.6
98.98470	5.5
105.07028	8.7
107.08605	4.0
109.10100	3.0
115.05418	0.8
117.07011	4.6
119.08565	6.6
121.10093	2.6
123.08035	0.7
128.06163	1.5
129.06982	4.8
131.08548	7.1
133.10063	2.8
135.11601	1.8
141.06927	2.5
142.07733	1.1
143.08545	5.7
145.10112	6.1
145.11177	1.0
147.11696	3.5
151.10916	0.7
153.06967	0.7
155.01019	3.7
155.08557	5.1
156.01314	0.9
157.01427	1.0
157.10103	5.7
159.11610	3.0
161.13187	1.3
165.06911	0.7
167.08508	2.3
169.10107	6.6
171.11659	4.9
173.13199	2.3
178.07509	0.8
181.10124	5.6
182.10799	0.9
183.11705	5.0
185.13219	3.2
193.10034	1.8
195.11736	4.7
197.13177	2.9
199.14737	1.9
203.05170	1.2
207.11604	2.0
207.13585	0.9
209.13141	2.8
211.14696	2.0
213.16232	1.0
221.13152	1.8
223.14754	2.2
225.16391	1.1
233.13144	0.8
235.14687	1.1
236.94063	1.0
237.16165	1.1
239.18033	1.0
239.23462	0.7
241.19432	1.5
251.17813	0.8
254.95207	1.3
255.11375	0.8
259.20291	0.9
311.25845	1.2
313.27136	2.8
314.27475	2.9
315.22916	1.1
315.28134	4.4
321.22025	1.6
323.23676	1.3
357.36316	0.7
422.10562	0.8
429.31293	1.1
447.32562	8.8
465.33154	2.8
483.34384	1.1
521.35742	2.5
539.31317	100.0
539.36798	9.4
540.31635	4.8
548.06873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54416	2.0
53.03925	3.0
53.55974	2.1
55.05516	11.5
56.33411	1.9
57.03424	3.6
58.73716	2.0
67.05499	30.5
69.03429	11.8
69.07076	16.8
69.88009	15.2
69.98785	2.1
71.04989	100.0
79.05478	14.9
81.03417	7.9
81.07056	53.6
83.08616	6.4
85.02908	20.8
85.06548	8.9
87.00822	5.4
91.05470	7.8
93.07036	14.5
94.58034	2.2
95.04979	5.3
95.08601	44.2
97.02885	7.7
97.06523	8.6
97.10187	7.2
99.04453	6.6
104.89933	2.5
105.01881	6.6
105.07014	7.7
107.08594	14.2
109.02888	9.1
109.06460	3.9
109.10155	22.5
111.08091	3.4
111.11720	4.6
119.04916	2.3
119.08589	7.3
121.06474	3.6
121.10143	20.9
123.11697	15.8
125.09615	2.9
127.03925	14.0
131.08540	3.8
133.10132	4.9
135.08086	2.8
135.11719	14.2
137.05963	6.9
137.09610	3.2
137.13260	8.3
143.08589	3.0
145.04962	3.7
145.10117	4.8
149.13280	8.5
151.14734	3.0
153.05455	2.8
159.02887	3.0
159.11711	2.5
161.09616	3.5
163.07495	4.9
163.14818	6.1
177.16371	2.5
181.08658	2.4
197.13258	2.9
215.14374	3.8
219.21057	9.0
235.13370	3.5
237.22118	56.1
255.23163	29.9
267.06458	2.9
273.11990	2.4
273.18564	4.2
273.24207	10.4
291.25296	9.7
349.71097	2.2
423.17093	2.9
434.17041	3.4
451.16595	4.6
465.18979	2.6
466.19498	7.8
479.20044	5.1
493.87885	2.6
493.95551	2.3
498.68735	2.2
506.19449	2.6
507.19473	65.3
508.20001	4.8
539.21265	16.4
539.29053	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13223	2.0
53.03951	4.8
55.01870	3.7
55.05510	19.1
57.03445	2.8
57.07073	4.4
65.03939	2.9
67.05504	52.3
69.03429	15.2
69.07066	22.6
69.88339	12.6
70.06585	4.2
70.64574	2.6
71.04993	100.0
79.05486	20.6
81.03419	12.2
81.07058	86.3
83.04968	3.0
83.08609	14.8
85.02905	19.5
85.06538	14.5
86.09730	4.5
87.00815	6.9
89.06027	2.7
91.05481	8.4
93.07047	28.7
93.92108	1.9
95.04961	5.7
95.08607	71.6
96.08966	1.9
97.02905	12.3
97.06529	8.9
97.10173	13.5
98.20844	3.8
99.04462	5.0
99.08081	4.8
103.10130	1.9
105.01865	3.1
105.07065	7.5
107.04927	3.8
107.08595	21.9
109.02846	8.0
109.06525	4.1
109.10161	39.9
111.08070	4.3
111.11745	3.0
116.77113	2.2
117.07057	3.2
119.08534	5.1
120.08118	2.7
121.10143	34.5
123.11708	20.2
125.06013	3.0
125.09715	2.9
127.03921	11.8
127.11198	2.3
131.04988	2.4
131.08588	2.8
133.10139	2.7
134.00507	2.1
135.11693	26.4
137.05930	3.2
137.09621	2.3
137.13261	13.1
138.09175	2.4
139.11168	3.3
145.04932	5.0
145.10098	4.2
149.13235	14.4
151.14868	2.4
155.14383	2.5
157.10147	2.5
159.08020	2.4
161.13269	2.6
163.03935	3.1
163.14822	8.3
166.08665	3.8
173.09575	2.3
175.07593	2.1
177.16422	4.6
191.14212	2.2
203.07043	3.6
206.10902	2.5
209.15453	3.7
219.21039	10.3
237.22112	93.8
255.23177	63.3
265.09674	3.3
273.14700	9.2
273.18152	3.9
273.24200	20.3
291.15631	6.5
291.19016	2.2
291.25372	5.1
295.10507	2.0
311.27124	2.1
367.12878	4.3
393.85965	2.3
402.14722	3.0
406.04623	2.0
453.21014	4.7
495.22827	9.5
508.20981	3.6
539.20624	29.7
539.28156	6.4
540.22131	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.8
55.01861	5.1
55.05509	14.7
57.03445	2.8
57.07076	4.1
57.49835	2.1
64.68677	1.9
65.60172	1.9
67.05504	51.5
69.03429	12.1
69.07071	21.2
70.11689	1.9
71.04995	100.0
75.07259	2.5
79.05512	19.0
81.03396	7.7
81.06586	3.9
81.07058	74.3
83.08625	12.3
85.02910	24.4
85.06541	16.9
86.09693	3.6
87.00813	8.5
91.05460	5.2
93.07040	25.6
95.04959	3.7
95.08608	62.1
97.02886	6.6
97.06512	7.8
97.10202	10.5
97.10709	2.3
99.04442	2.9
99.08071	3.0
105.01857	7.6
105.07033	3.9
107.08601	18.4
109.02864	6.6
109.10164	32.4
111.11705	4.0
121.10149	35.2
123.11737	22.1
127.03909	15.5
127.11156	3.0
131.04875	2.3
133.10080	4.5
135.11707	22.8
137.13246	12.9
141.12726	2.4
145.04997	3.1
145.10112	3.1
149.09715	2.3
149.13263	14.4
151.14787	3.5
159.02922	3.5
163.14804	9.2
166.08603	2.3
177.16354	5.5
191.17914	2.2
219.21059	15.3
237.22127	90.7
255.23204	79.6
265.09543	2.5
273.24243	29.8
275.82263	2.0
280.53452	2.1
291.25333	8.2
339.13788	3.0
374.76581	2.3
399.15588	4.3
405.76010	2.1
406.23450	2.0
508.20117	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
55.01863	20.4
55.05509	37.4
57.03428	28.2
57.07074	100.0
60.23989	6.5
67.05508	61.5
69.03429	45.6
69.07060	36.3
69.25266	15.3
69.25661	79.6
71.04979	8.0
71.08636	76.4
73.02909	49.7
79.05489	25.9
81.03416	37.0
81.07053	61.7
83.04946	11.7
83.08619	49.7
85.02901	34.1
85.10182	48.2
87.76595	6.3
91.05486	22.1
93.07035	20.7
95.08604	96.2
97.02855	19.4
97.10154	18.6
99.04443	22.8
103.03942	8.3
105.07037	11.0
107.08602	10.7
109.02888	73.7
109.06529	6.9
109.10148	39.6
110.03664	10.2
111.04455	61.2
114.37355	7.0
117.06999	13.2
119.34658	7.7
123.11697	21.4
127.03921	32.2
131.08536	11.2
132.99542	27.9
145.10121	15.2
151.00545	8.4
163.11200	10.6
191.00099	31.5
209.01143	9.6
209.11752	11.3
219.56346	7.6
227.12691	17.9
239.23639	90.6
257.24759	15.8
283.15533	12.7
313.27466	62.5
388.61325	7.3
404.79294	7.1
508.47473	9.1
539.29016	58.4
539.39264	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47514	0.8
55.05498	1.0
56.05024	1.1
57.07063	2.9
58.06599	1.6
60.08162	15.0
67.05501	1.3
69.07072	1.3
70.84798	1.0
70.85137	2.0
71.07376	6.0
71.08622	1.5
71.50135	0.7
84.56444	0.7
86.09702	45.3
93.77486	0.9
95.08607	1.0
98.98475	4.6
103.18785	0.8
104.10739	96.5
124.99997	25.2
159.99484	0.7
163.01556	1.3
166.64738	0.7
175.11243	0.9
184.07335	100.0
231.02994	0.9
258.11105	1.1
355.31824	1.5
376.54886	1.0
401.41391	0.8
492.95251	0.8
520.37646	9.5
538.38641	26.9
539.38684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	32.5
57.07056	14.6
67.05502	49.8
69.07059	71.9
71.08636	13.5
71.58728	10.6
71.59093	10.1
79.05475	34.4
81.07043	45.9
83.04960	9.4
83.08582	10.7
85.10179	9.9
86.09704	17.5
91.05459	27.6
93.07057	46.4
95.04958	26.3
95.08581	34.5
97.06513	10.7
97.10170	11.4
104.10739	26.3
105.07009	35.1
107.04923	24.2
107.08611	24.5
109.10159	10.9
117.06990	12.1
119.08569	19.3
121.10151	29.9
131.08554	20.4
133.10089	20.4
134.82364	9.3
135.08031	22.9
141.41061	10.2
144.11772	7.9
145.10112	13.3
147.11772	17.0
149.09634	14.5
159.11711	9.9
163.11053	9.2
173.88588	9.2
183.79857	10.0
184.07323	33.1
202.18733	8.8
237.14862	24.6
247.45125	10.7
275.20099	100.0
293.21182	90.6
419.93341	10.0
538.31940	32.6
538.38605	28.0
546.98254	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.6
57.03428	8.5
57.07071	3.3
58.33632	2.7
64.29618	2.6
67.05492	6.9
69.03428	27.2
69.07056	3.6
69.24844	3.1
70.06569	3.3
71.04967	3.3
71.57598	4.3
73.02885	2.9
79.05487	8.0
81.07052	21.1
83.04985	21.0
83.08613	7.5
85.02907	21.8
86.09698	4.2
87.04462	13.4
91.05473	7.6
93.07045	11.8
95.04982	14.0
95.08607	11.9
97.02896	24.4
97.06511	8.3
99.04446	3.2
105.07008	10.3
107.08595	23.8
109.06537	25.4
109.10152	21.0
111.08086	4.8
112.04906	2.3
115.03940	23.1
115.07534	4.7
119.08587	9.1
121.10138	21.9
123.08069	6.3
123.11685	6.8
125.09586	4.2
127.03957	3.2
131.08540	5.8
133.04970	23.3
133.10126	33.5
135.08035	5.1
135.11754	3.1
137.13158	2.7
139.11125	3.2
145.04999	3.2
145.10130	5.5
147.11678	8.2
149.13261	10.1
150.07664	3.3
151.11212	14.4
153.09084	9.6
158.10793	2.4
163.03831	3.8
163.14809	6.9
166.53795	2.7
167.14333	15.2
173.13269	22.1
175.14786	6.3
191.14282	27.3
209.15358	100.0
210.62300	2.7
223.85750	2.8
227.16472	16.8
255.25658	2.7
296.16882	2.7
323.35605	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05484	3.1
67.05495	2.6
69.03419	2.7
69.07069	3.4
70.06593	4.5
70.18912	3.6
70.19274	8.3
71.05001	2.3
79.05482	6.7
79.98087	1.9
81.07047	6.5
85.02894	5.3
91.05479	7.3
93.07040	12.5
94.06563	14.5
95.04970	4.3
95.07347	9.5
95.08620	4.6
96.08122	26.4
97.02873	3.4
97.06540	2.9
103.05451	2.7
105.07028	3.1
108.08102	17.4
109.02850	3.0
109.10126	2.8
110.09679	38.3
111.04436	2.6
116.04976	3.8
120.04453	8.2
120.08101	29.5
121.10107	2.4
122.06020	7.6
124.07581	9.6
127.03887	3.1
134.02591	2.0
134.06049	2.4
136.07573	10.8
137.05963	3.4
138.05466	4.6
138.09128	52.7
144.04398	9.1
146.05997	5.8
148.07509	9.6
150.05463	2.7
152.07094	2.1
162.05458	6.8
163.03885	20.6
164.04231	9.8
166.04990	7.9
166.08635	100.0
167.07108	2.7
172.03926	34.8
178.05003	2.2
181.04961	15.4
182.05270	7.2
190.04996	19.5
194.08235	2.7
197.10622	3.1
204.06546	14.4
209.10733	2.4
212.09395	2.8
216.06618	2.7
219.17461	2.3
224.09451	3.9
225.10165	9.9
227.11826	3.2
236.09407	4.3
237.10207	15.6
238.10925	3.0
239.08130	3.4
239.11783	4.5
241.09601	4.5
249.10344	4.4
250.07478	3.2
250.11090	2.0
251.08148	4.3
251.11758	12.1
252.08917	3.1
253.09650	8.6
263.11783	2.8
264.08997	2.9
265.09683	30.2
266.10538	4.8
267.11243	5.5
271.10687	5.8
273.12219	4.3
278.06595	11.9
279.11316	12.5
280.08487	3.2
281.09198	4.2
281.12692	3.1
283.10678	10.6
293.09222	23.3
294.10040	6.1
295.10699	2.4
296.11810	2.1
297.12366	10.1
299.10202	4.9
307.10800	5.6
309.12485	5.2
311.10217	4.5
312.10971	4.7
313.11893	7.5
317.10345	2.4
318.10468	2.3
325.11859	23.9
335.10278	11.3
338.09015	3.5
340.10474	2.8
341.11270	32.9
343.08469	2.2
343.12872	4.9
344.08456	4.1
353.11301	34.7
357.14252	2.3
373.13971	5.1
385.13855	9.3
460.18524	8.5
465.19165	8.9
478.19559	10.9
488.18185	14.8
506.19272	64.8
538.21417	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11707	1.1
56.96558	1.0
65.03931	1.3
67.05501	3.2
69.03426	2.2
69.07056	1.1
70.06577	1.4
71.11282	1.8
74.70639	1.2
77.03880	1.2
79.05475	5.0
80.05019	0.9
81.03411	2.3
81.05775	1.3
81.07049	1.9
82.06574	2.5
84.04495	3.0
85.02902	2.8
89.03885	1.0
91.05476	4.8
93.07042	7.9
94.06559	12.9
95.04984	2.7
95.07354	9.5
95.08604	1.9
96.08131	22.2
97.02853	1.3
97.06541	2.7
98.97586	1.9
105.07020	1.6
106.06545	0.9
106.96638	1.0
107.08580	4.8
108.08119	14.4
109.02888	2.1
109.08902	1.1
110.09676	36.8
116.04980	4.4
116.98566	1.1
118.06529	1.6
119.08570	1.5
120.04469	6.6
120.08103	24.3
121.06483	1.0
121.10043	1.2
122.06065	6.2
123.06774	1.4
124.07607	7.8
126.05497	1.0
127.03857	1.2
128.98587	1.3
133.10115	12.3
134.05997	2.2
134.99658	1.4
135.08015	1.2
136.07555	11.3
137.06071	1.0
137.09613	7.1
138.05492	5.8
138.09131	50.4
144.04448	8.1
146.06007	4.6
146.99617	1.1
148.03897	1.1
148.07558	8.2
149.13229	1.1
150.05533	3.3
152.07048	2.1
160.03922	2.8
160.07449	1.3
162.05470	4.8
166.04982	5.6
166.08633	100.0
167.07062	1.5
172.03920	36.8
174.05490	1.5
178.04935	1.5
180.06578	1.2
184.09921	1.4
188.07138	1.2
190.04982	17.8
191.14311	4.0
192.06467	2.2
194.08398	1.3
195.09222	1.9
197.10754	1.9
198.11620	1.6
204.06534	14.7
205.08710	1.1
207.44458	1.1
209.10756	2.9
210.11459	1.0
211.08688	1.2
211.12199	1.6
212.09433	2.4
213.10141	1.8
214.05122	1.3
216.06596	2.1
222.07924	1.8
222.11464	2.4
223.08638	3.0
224.09427	3.5
225.10281	6.8
226.10982	1.4
227.08034	1.0
227.11833	3.7
235.08519	2.4
236.09386	3.6
237.10223	18.8
238.11017	2.6
239.08194	2.4
239.11798	5.0
241.09720	4.0
245.12822	1.8
249.10210	1.7
250.07359	1.7
250.10971	1.1
251.08122	3.5
251.11800	10.3
252.08942	2.5
252.12514	1.8
253.09691	9.8
254.24033	1.1
255.11317	3.1
263.08191	1.1
263.11703	1.9
264.08923	2.3
265.09723	22.2
266.10431	4.2
267.11264	3.4
271.10892	2.7
273.12332	7.6
277.09750	2.4
278.06616	10.9
279.11276	12.8
280.08463	2.0
281.09195	2.3
281.12915	3.9
283.10773	8.1
285.12442	2.7
288.05807	2.3
289.06046	1.1
290.06244	1.2
291.11328	2.3
293.09216	23.9
293.12497	1.1
294.09930	5.3
295.10712	1.9
297.12329	7.5
299.10321	3.0
300.10980	2.4
303.85199	1.0
307.10770	4.3
309.12375	4.5
311.10294	3.6
312.11069	4.0
313.11807	7.0
325.11823	21.6
327.13324	1.1
335.10236	9.1
339.13303	1.3
340.10638	4.1
341.11298	30.4
343.12744	3.2
351.09778	1.1
353.11273	29.5
357.14450	1.5
366.12064	1.3
373.13959	3.2
385.14215	6.0
385.18854	1.4
436.18765	1.2
437.19531	1.4
460.18707	5.5
462.20682	1.2
464.18030	1.8
465.18933	10.9
475.12848	2.0
477.31317	2.0
478.19778	10.9
478.31247	2.2
488.18277	12.7
506.19266	51.7
507.19690	2.0
535.14764	1.1
537.33038	1.5
538.21381	1.4
538.33850	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
67.05499	1.7
68.17767	1.0
69.07059	1.6
70.80249	1.1
71.36648	1.1
74.14880	1.1
79.05473	3.5
80.05000	1.4
81.03425	1.5
81.07086	1.5
81.60390	1.1
82.06573	3.0
85.02917	1.3
91.05460	5.2
93.07037	10.9
94.06567	11.6
95.04981	2.1
95.07353	9.7
95.08620	1.7
96.08123	22.9
97.06518	2.2
98.20608	1.8
101.01691	1.2
103.05437	2.2
106.06567	1.4
108.08109	15.6
109.02885	1.3
109.08883	1.5
110.09677	33.6
116.04968	4.2
118.06505	1.2
119.92755	1.1
120.04472	6.9
120.08102	27.1
121.06551	1.1
122.06026	5.8
123.06812	1.7
124.07539	7.4
133.10138	5.1
134.06007	2.1
136.07561	11.0
137.09619	3.5
138.05493	5.2
138.09128	54.3
144.04425	8.6
146.06012	6.0
148.03961	2.0
148.07573	8.8
150.05621	2.3
152.07074	1.5
158.78099	1.1
160.03951	1.8
160.07706	1.2
161.02036	1.1
162.05508	4.2
164.07048	1.3
166.05002	5.7
166.08632	100.0
167.09026	1.4
172.03928	39.4
172.05409	2.2
178.05025	1.9
180.06488	1.2
190.04991	19.5
191.14328	2.4
195.09172	1.9
197.10733	2.3
204.06587	13.7
209.10741	3.3
211.08522	1.3
211.12312	2.1
212.09464	4.4
213.10367	2.1
216.01468	1.2
222.07904	1.8
222.11533	1.6
223.08714	3.2
223.12282	2.2
224.09428	4.4
225.10172	6.2
226.10999	1.6
227.11703	2.2
235.08707	2.4
235.12234	1.1
236.09419	4.2
237.10196	19.9
237.12405	1.5
238.11035	3.1
239.08145	4.0
239.11746	4.3
241.09775	5.0
245.12729	1.2
247.14508	1.1
248.09482	1.4
249.10191	3.6
250.07465	1.4
250.10986	1.3
251.08228	3.4
251.11844	11.6
252.08812	3.1
252.12509	3.4
253.09729	10.5
255.11327	3.7
263.11899	2.5
264.08978	2.4
265.09735	26.0
266.10452	3.7
267.11194	3.4
268.08380	1.7
269.08929	1.6
269.12656	1.4
271.10831	4.7
273.12424	6.8
278.06598	9.5
278.09308	1.3
278.10507	1.1
279.11282	15.8
280.08490	2.9
281.09177	3.1
281.12863	3.4
283.10638	7.5
285.12253	2.7
288.05832	2.3
289.05963	1.2
289.09637	2.0
291.11304	1.9
292.08255	2.1
293.09247	24.1
293.12512	1.4
294.09937	4.9
297.12354	8.1
299.10251	3.3
300.11023	2.3
302.13116	1.1
307.10843	6.2
309.12393	5.4
311.10196	4.2
312.10980	3.9
313.11850	7.7
323.10156	1.5
325.11816	20.8
327.13205	1.9
335.10257	9.0
340.10538	3.8
341.07538	2.1
341.11331	31.5
343.13147	1.8
353.11288	29.1
355.12277	1.3
357.14722	1.8
373.13736	3.4
385.13989	4.9
390.18130	1.4
398.14758	2.6
418.17480	1.5
432.19037	1.9
436.19125	1.5
437.19717	1.9
460.18753	5.7
464.18097	2.7
465.18921	13.2
475.12741	1.9
478.19656	11.5
488.18192	16.6
504.96616	1.1
506.19208	58.4
507.18948	1.5
527.70288	1.5
538.21838	2.5
538.33905	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	14.5
55.05507	11.8
62.02217	4.2
67.05483	18.2
69.07059	21.4
71.04958	5.1
79.05491	15.2
81.03407	9.0
81.07047	29.4
83.04990	5.7
85.06506	3.9
91.05475	13.5
91.25763	4.0
92.52528	4.3
93.07033	18.6
95.04987	5.9
95.08588	18.8
97.06507	11.4
105.06998	14.0
107.04944	39.7
107.08593	11.4
109.10166	6.6
111.04440	5.6
117.06983	6.7
119.08577	12.6
119.35494	5.1
121.06538	4.1
121.10126	5.6
123.08069	7.2
131.08575	6.6
133.10097	6.5
134.48216	4.3
135.08017	4.3
135.73137	4.2
145.10126	8.9
149.09616	30.5
152.73804	3.8
157.10092	8.3
159.11618	4.7
169.58508	4.3
177.35559	4.3
212.95436	4.3
229.14444	5.8
273.18481	6.2
291.19510	79.3
309.20566	4.9
537.30170	100.0
537.50250	5.7
558.72797	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.01878	5.6
55.05498	18.0
57.03421	10.1
67.01282	5.1
67.05501	12.8
69.03417	22.7
69.07065	9.8
69.70040	12.1
69.70456	32.6
70.06591	7.0
71.04980	5.4
73.46808	5.8
79.05485	15.8
81.03408	19.5
81.07046	43.5
82.90707	5.0
85.02905	23.2
85.06536	7.4
91.05491	16.3
93.07042	30.4
95.08595	42.2
97.02888	6.3
97.06536	16.1
97.10152	7.6
99.04435	8.6
101.42239	5.0
105.07029	31.0
107.05035	6.5
107.08595	26.0
109.02882	9.2
109.06542	8.3
109.10163	13.7
110.09741	5.3
111.08094	7.8
113.06042	6.9
119.08601	22.7
120.08095	19.0
121.10139	14.6
123.08074	10.9
123.11689	21.0
125.09612	8.8
127.03920	16.0
133.10121	18.4
135.11681	17.8
137.05974	12.8
137.09644	11.4
138.09178	6.7
145.10115	10.6
147.11676	18.3
149.13252	6.9
153.01787	13.6
157.10152	12.2
159.11713	15.9
161.13228	44.2
163.03914	10.7
164.07092	15.8
166.08656	11.7
171.07957	6.2
173.13268	7.0
181.04933	5.5
189.16423	10.9
195.02994	7.0
199.14847	15.7
204.06720	6.1
207.17401	8.6
209.15463	7.6
215.12440	6.0
217.15881	23.5
235.16997	45.2
253.17961	100.0
282.54562	6.0
287.05466	24.9
288.05908	18.1
289.06366	36.5
289.15353	10.5
309.24051	5.7
321.24301	8.4
537.26440	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.0
55.05505	11.8
55.90479	5.8
57.03434	10.1
59.04992	8.2
67.05509	16.5
69.03425	32.4
69.07053	20.7
69.59765	45.7
70.06606	8.3
71.05015	7.5
79.05492	24.5
81.03420	23.8
81.07063	57.5
83.04967	8.3
85.02916	35.3
86.09697	17.3
87.00828	13.0
91.05480	20.5
93.07030	42.1
95.04954	15.8
95.08598	41.7
97.02884	22.6
97.06519	17.7
99.04437	8.8
99.08062	9.3
103.05497	11.8
105.01809	9.0
105.07027	26.9
107.04964	10.4
107.08589	29.8
109.02877	25.7
109.06539	12.8
109.10151	22.4
110.64967	5.9
111.08098	7.7
119.08598	39.8
120.08073	22.8
121.06525	6.8
121.10135	24.7
122.03753	8.1
123.08057	11.3
123.11707	26.1
125.09589	10.5
127.03923	29.0
130.04227	7.4
130.56639	6.4
131.04918	12.5
131.08524	12.9
133.10118	19.7
135.08003	6.5
135.11679	23.9
137.05965	18.1
137.09630	10.3
138.09117	12.8
139.07520	7.6
145.04951	9.9
145.10114	17.1
146.06084	7.1
147.11710	20.7
151.07498	6.9
153.01849	14.3
157.10129	13.4
159.02869	7.4
159.11696	22.6
161.13261	56.2
163.03885	23.6
164.07063	25.3
166.08612	17.9
167.06996	7.2
172.03954	7.5
173.13255	6.5
175.11162	8.1
177.05481	11.1
189.12679	8.5
199.14810	20.4
204.06493	14.3
207.17441	10.5
215.96521	7.0
217.15900	24.0
235.16927	35.9
253.17998	100.0
271.16962	7.5
287.05432	21.2
288.05862	26.2
289.06152	35.7
289.15436	56.5
289.18198	8.0
299.06039	7.6
321.24411	15.9
325.11502	7.4
381.61282	8.0
448.94177	7.2
506.19305	9.6
537.26776	8.0
542.77515	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
53.84257	1.0
55.05516	6.8
57.03440	8.3
57.07074	39.4
67.05502	14.0
67.05843	1.6
69.03417	1.2
69.07067	7.8
70.91267	1.0
71.04980	1.5
71.08632	26.7
71.58781	2.3
81.03417	22.8
81.07052	17.4
83.08614	11.4
85.02885	1.4
85.10179	12.7
86.09727	1.7
88.39996	0.9
93.07050	1.8
95.08606	23.6
97.10173	5.3
98.98466	84.2
99.04461	5.4
104.10754	2.9
109.02888	12.4
109.10144	10.1
111.11756	1.4
116.87711	1.1
116.99499	4.1
123.11697	2.7
124.11231	3.9
125.11579	2.3
127.03944	2.7
136.99947	1.5
137.13263	2.1
140.01079	1.0
155.01039	74.5
181.10446	0.9
196.03691	1.3
215.85425	0.9
225.01598	5.5
239.23729	7.7
243.02705	1.9
281.04126	1.6
313.27356	100.0
314.27487	1.4
383.27933	1.5
393.24176	1.5
477.10049	1.2
478.21460	1.2
537.28711	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11733	1.1
53.03927	1.5
55.01862	1.6
55.05505	2.2
57.37519	0.9
64.71735	1.0
67.05502	4.8
68.93628	1.0
69.03426	6.3
69.07069	4.2
69.87967	3.2
69.88373	2.9
71.04959	1.4
79.05501	6.7
79.05893	1.1
81.03411	6.0
81.07056	9.0
83.08614	1.8
85.02891	3.4
87.00832	1.5
91.05473	4.2
93.07039	4.0
95.01953	1.0
95.04946	3.5
95.08603	7.1
97.02896	1.3
97.06543	1.4
99.04415	2.0
105.07018	6.2
106.67528	1.0
107.04954	4.8
107.08596	4.6
108.16023	1.0
109.02882	2.7
109.06502	2.2
109.10140	3.6
111.04439	2.4
111.08147	1.4
111.51667	0.9
119.08577	4.8
121.06496	1.2
121.10123	2.9
123.04424	5.6
123.11724	1.4
127.03932	2.2
129.07007	1.6
131.08575	2.2
133.06583	1.1
133.10138	3.8
135.04402	1.9
135.08070	1.8
135.11696	1.9
137.05972	2.7
143.08548	2.1
145.02885	1.5
145.04990	1.4
145.10132	3.1
147.11668	2.0
149.05980	2.6
149.09566	1.9
149.13254	1.3
157.10135	1.7
159.11668	1.7
161.06000	1.2
161.09659	1.4
163.03897	100.0
163.07504	3.1
164.04247	2.0
165.05611	1.3
165.92728	1.1
167.03394	1.5
173.13280	1.2
175.07579	1.1
181.04948	90.3
182.05186	1.1
185.05872	1.2
187.07610	1.6
187.14941	1.4
205.04996	4.4
212.28236	1.2
222.48672	1.1
229.08633	1.5
247.09651	2.1
273.07654	1.6
281.08121	7.6
287.05496	1.3
289.05215	1.2
299.06158	1.9
299.09137	11.2
317.10153	17.0
317.24646	1.1
325.07071	15.6
343.08090	26.6
346.11023	1.1
361.09198	8.8
383.11102	2.8
397.27255	2.0
415.28137	2.0
475.29797	1.2
493.30875	1.8
501.15323	2.4
519.16376	2.4
537.30908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
55.01860	0.3
55.05506	0.3
61.19717	0.2
65.03935	0.6
67.05497	0.6
69.03419	2.4
69.07046	0.3
77.03928	0.3
79.05476	2.2
81.07040	0.9
85.02872	0.6
85.06516	0.4
85.65514	0.3
85.75271	0.3
89.03910	0.7
91.05486	1.0
93.07039	0.5
95.01334	0.5
95.04947	1.5
95.08589	0.5
95.60396	0.3
105.07032	0.6
107.04959	2.1
107.08567	0.5
109.02891	0.5
109.06509	1.1
109.10171	0.4
111.04424	0.5
117.74846	0.3
119.04907	0.5
119.08595	0.4
121.02912	0.3
123.04423	3.5
125.30904	0.2
127.03915	0.5
131.08516	0.4
135.04419	0.7
137.05952	1.3
139.03864	0.3
145.02811	1.3
147.04424	0.3
149.05949	0.9
149.09534	0.3
155.06958	0.5
155.08492	0.3
161.05908	0.8
163.03893	100.0
164.04242	1.4
165.06969	0.4
167.03340	0.5
177.09088	0.5
179.03355	0.8
180.03662	0.4
181.04944	88.0
182.05280	1.1
187.07472	0.5
201.09071	0.8
205.04932	3.6
207.02963	0.5
207.06474	0.6
221.11775	0.3
229.08568	2.1
239.07065	0.3
245.08044	0.6
247.09676	1.4
255.06477	0.4
255.10248	0.3
263.06830	0.3
271.16943	0.4
273.07556	1.0
275.05508	0.3
281.04916	0.4
281.08054	7.9
283.06046	0.8
297.07724	0.3
299.09128	11.1
300.09518	0.5
307.05881	0.5
315.08441	0.4
317.10181	15.5
318.10513	0.5
325.07040	16.2
339.12173	0.4
343.08112	20.5
344.08536	0.5
361.09149	6.0
365.10098	1.0
383.11227	2.4
391.11670	0.8
409.12778	1.1
501.15469	2.1
519.16565	2.6
520.16138	0.3
537.17499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05488	0.4
55.59215	0.2
57.03436	0.3
65.03926	0.3
67.05495	0.5
69.03419	2.7
69.07052	0.5
69.56754	2.1
72.95049	0.2
77.03934	0.3
79.05489	2.4
81.03435	0.5
81.07040	1.0
83.04954	0.3
85.02901	0.5
88.86861	0.3
89.03926	0.5
91.05482	0.7
93.07039	0.7
95.04956	1.1
95.08595	0.9
97.02883	0.2
103.05445	0.4
105.07030	0.9
107.04947	2.4
107.08589	0.6
109.02779	0.4
109.06511	0.7
115.05475	0.3
119.04969	0.5
119.08533	0.6
121.02908	0.3
121.06443	0.3
123.03588	0.3
123.04434	3.9
123.08108	0.3
127.03893	0.6
131.08549	0.4
133.10201	0.3
135.04402	0.9
135.08040	0.3
137.05984	1.4
145.02838	1.2
145.06465	0.4
145.10156	0.4
147.04379	0.3
149.05986	0.6
151.07468	0.2
156.93031	0.3
161.05968	0.8
163.03897	100.0
164.04256	1.8
167.03319	0.7
175.07542	0.3
175.14789	0.3
177.09067	0.4
179.03386	0.5
181.04950	84.4
182.05255	1.1
189.09042	0.3
195.11916	0.2
201.09117	0.6
203.06967	0.3
205.04961	3.5
207.02863	0.7
207.06499	1.1
211.07512	0.5
229.08658	1.9
231.06468	0.4
239.06973	0.4
242.15498	0.3
245.08073	0.4
247.09604	1.8
255.06410	0.3
257.04486	0.4
269.08151	0.4
271.16977	0.3
273.07498	1.1
273.11722	0.3
281.08099	7.9
282.08585	0.5
283.05902	0.6
295.09491	0.3
299.09109	11.5
300.09540	0.3
307.05951	0.4
315.08630	0.4
317.10190	14.8
325.07037	15.8
343.08112	18.7
344.08484	0.7
355.11908	0.3
357.09662	0.5
361.09152	6.1
365.10037	1.0
383.11200	2.7
391.11865	0.5
397.12842	0.4
409.12686	0.8
427.13547	0.4
501.15457	1.4
519.16382	2.2
537.17401	0.8
537.28784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17875	0.6
58.64006	0.7
60.16805	0.8
69.03416	3.2
70.12006	3.3
79.05472	3.3
81.07042	1.1
86.09585	0.7
89.03941	0.8
107.04953	2.4
119.27621	0.7
123.04406	4.2
135.04349	1.2
137.05968	1.4
163.03896	100.0
164.04201	1.2
167.03322	0.8
181.04947	88.6
182.05350	1.3
205.04962	4.0
207.02942	0.9
229.08620	2.4
239.24072	0.7
245.08047	0.9
247.09340	1.6
247.15796	0.8
261.55762	0.7
263.06577	0.7
273.07578	1.2
277.32675	0.7
281.08060	8.4
299.09085	10.2
307.06046	0.8
317.10147	14.7
325.07065	15.6
325.10730	0.5
341.09741	0.9
343.08105	22.3
361.09039	6.6
383.11072	1.9
409.12482	0.9
442.68491	0.8
501.15387	2.0
519.16418	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	31.2
57.07072	29.9
63.46608	7.7
67.05493	30.7
69.07064	81.8
70.27627	29.2
71.08616	14.1
79.05479	11.1
81.07066	56.9
83.08623	38.4
86.09710	9.4
86.38921	9.0
88.02208	8.8
91.05861	8.5
93.07028	29.4
95.08605	72.4
97.10166	33.0
98.21424	10.7
104.10758	12.0
107.08603	17.8
109.10152	17.4
121.10159	33.1
135.11705	20.9
140.31265	9.1
149.13272	13.3
151.14819	9.0
167.05528	10.1
247.24130	29.5
265.25253	93.1
283.26328	13.8
299.06174	15.5
339.28995	100.0
357.29935	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09052	2.7
55.01861	3.8
55.05497	10.6
57.03431	9.5
57.07071	5.5
59.05005	6.7
60.04520	3.4
64.36743	3.2
67.05506	23.8
69.03428	30.2
69.07069	7.8
70.06586	18.2
70.92941	6.7
70.93296	5.3
71.04978	7.9
75.26968	2.9
76.02219	4.1
79.05481	6.5
81.03398	9.7
81.07047	16.3
82.06517	3.4
83.04980	9.7
85.02904	38.2
85.06522	19.8
86.09705	6.8
87.04443	16.9
88.58157	3.2
91.05444	6.3
93.07054	15.3
95.04967	7.8
95.08604	100.0
97.02880	26.3
97.10173	2.9
99.04456	4.1
99.08085	11.1
105.07032	12.6
107.08593	11.5
109.02876	9.5
109.06483	5.8
109.10133	8.9
113.06001	16.8
115.03921	28.8
119.04959	3.3
119.08596	20.1
120.08077	6.0
121.10123	6.6
123.08070	10.5
123.11757	5.0
127.03912	13.4
127.07551	39.1
131.08575	4.1
133.04956	20.6
133.10130	9.5
135.08040	3.5
135.11728	6.0
136.07591	6.0
137.05939	5.3
137.09637	4.7
143.08592	3.6
145.04965	7.7
145.10136	4.6
150.07591	5.1
151.11215	9.8
157.10138	4.6
161.13258	22.2
163.11137	4.5
167.05502	5.5
179.14259	4.9
207.13818	56.3
215.09293	4.6
226.30176	3.3
238.66092	4.7
289.07343	3.9
299.06250	5.2
318.41605	4.7
340.92535	3.8
364.85324	3.7
434.05228	3.3
476.31302	11.8
536.32355	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
55.09524	1.1
69.03414	5.3
70.06579	2.4
71.04987	1.6
79.05492	2.7
81.03413	4.5
81.07051	1.2
84.08144	1.4
85.02897	16.0
86.09724	1.7
87.00835	4.3
91.05477	28.0
93.07072	1.4
95.04948	2.2
95.08572	1.5
97.02873	7.3
98.21514	2.7
99.04468	4.9
100.32578	1.4
103.03942	6.5
103.05508	1.6
105.01871	8.6
105.07016	5.1
107.04945	25.7
109.02889	7.2
115.05441	1.9
117.07011	1.4
119.08556	1.6
121.10161	1.2
125.06074	1.5
127.03919	15.6
135.08046	11.6
145.04945	6.3
154.06206	1.6
163.03899	2.5
163.06157	2.9
163.07497	13.9
167.05644	2.1
167.07013	14.0
171.08148	1.6
180.07881	2.1
195.10162	100.0
207.10133	2.0
207.13902	1.7
217.08685	1.5
231.05019	3.4
287.05490	2.0
288.05829	2.9
299.06073	1.5
378.40799	1.3
530.44702	1.3
536.25604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4143
Annotation	Toxicol B
Peak:m/z	Relative Intensity
51.27438	0.7
53.03942	1.3
55.01865	1.5
55.05506	12.7
57.03431	1.3
57.07058	1.7
65.03915	1.2
67.05132	1.2
67.05499	24.6
69.03421	1.2
69.07065	10.6
71.04974	1.3
71.58427	1.4
73.98764	0.6
79.05487	10.2
81.07047	21.4
83.04947	1.0
83.08606	7.3
85.06528	1.3
85.82249	0.7
91.05463	6.6
93.07035	10.5
95.04938	2.0
95.08595	18.3
97.06506	1.7
97.10152	4.0
99.08110	0.6
105.07021	8.4
107.08576	6.4
109.09464	1.1
109.10149	12.9
111.08027	0.9
115.05380	0.7
117.07012	5.2
119.08571	8.9
121.10140	6.6
123.08102	0.8
123.11720	2.7
125.09617	1.4
127.03876	0.9
128.06224	1.2
129.07007	7.6
131.08566	10.6
133.10114	7.6
135.11688	2.7
137.09555	0.7
137.13228	2.4
139.11214	0.9
141.06953	4.9
142.07782	1.7
143.08551	11.3
145.10103	9.9
147.11681	3.6
149.13225	1.8
153.07001	1.5
154.07773	2.1
155.08537	15.3
156.09352	1.6
157.10115	11.8
159.11682	7.6
161.13249	1.8
165.07021	2.2
165.12756	0.7
166.07690	1.2
167.08542	8.1
168.09352	3.5
169.10107	21.2
170.10977	1.0
171.11673	10.1
173.13223	5.8
175.14769	1.0
178.07816	0.9
179.08498	3.4
180.09308	2.0
181.10097	12.0
182.10886	1.4
183.11676	23.3
185.13240	9.3
187.14809	2.4
193.10159	4.9
194.10931	1.7
195.11693	15.7
196.12407	2.2
197.13249	18.2
199.14813	6.1
201.16434	1.4
205.10220	1.3
207.11653	4.9
208.12437	0.9
209.13232	15.2
209.15094	1.2
210.14021	1.6
211.14806	11.4
213.16359	3.0
215.18065	0.9
219.11548	1.4
221.13208	4.3
223.14783	9.3
225.16348	11.7
227.17891	1.6
233.13234	1.5
235.14812	4.8
236.99295	0.6
237.16339	7.5
237.18387	1.0
239.17941	6.3
247.14960	1.4
249.16348	3.9
251.15022	0.6
251.17833	3.5
253.19525	3.1
255.21144	0.8
257.18951	0.7
261.16293	1.8
263.17947	2.1
265.19550	2.9
267.21039	3.1
269.18765	0.9
277.19595	2.2
279.18100	0.7
279.21140	2.6
281.19318	0.8
281.22705	2.2
283.20502	1.2
287.05444	5.6
289.19235	0.9
291.20834	1.0
293.22656	1.3
295.20773	1.4
295.24094	1.2
297.22293	1.1
299.20129	1.0
305.22592	1.8
307.20529	2.0
309.22134	1.5
311.19949	1.8
311.23654	1.5
313.21567	1.8
321.22195	3.7
323.20245	0.8
323.23685	3.3
325.21524	1.2
327.23337	0.9
333.22122	1.2
335.23715	4.5
337.25171	1.6
339.23163	2.3
339.26917	1.1
347.23209	0.8
349.25317	4.7
351.26837	2.2
353.24863	2.2
361.25162	1.4
363.26849	2.5
365.24292	0.8
365.28391	3.3
367.26224	2.1
375.30753	1.5
377.28394	1.5
379.30365	1.6
381.27875	1.9
389.28149	1.0
391.30002	4.3
393.31607	1.7
395.29401	2.1
405.31589	2.5
409.31015	4.6
421.30829	1.4
423.32761	3.3
426.69669	0.7
429.31561	2.3
431.32678	0.8
433.30756	1.6
437.34079	1.9
447.32574	6.5
461.34091	1.7
465.33411	1.3
475.35645	1.2
479.34787	1.0
499.39432	7.6
517.40375	67.3
518.40576	1.7
535.41376	100.0
536.41589	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.05502	4.5
56.05840	1.3
57.03427	1.4
58.06598	1.7
59.04977	1.6
67.05511	9.5
69.03419	5.6
69.07047	4.5
70.06588	15.9
71.04971	1.7
71.06933	2.7
71.57681	2.6
79.05486	5.7
81.03422	6.4
81.07053	10.9
81.14580	1.4
82.07392	2.5
83.04967	1.5
83.08599	2.8
84.08120	4.5
85.02910	8.0
85.08912	3.1
86.09711	1.7
89.06107	1.3
91.05463	2.7
93.07044	4.5
95.04963	1.9
95.08606	9.6
96.08133	1.5
96.08948	2.8
97.02889	1.8
100.11254	73.4
101.10957	2.5
101.11574	27.8
102.11923	2.9
105.07013	5.0
107.04967	4.4
107.08583	5.7
109.02870	2.8
109.06555	1.9
109.10146	16.2
119.08592	5.8
121.02863	1.7
121.10130	4.9
123.04412	1.9
127.03922	3.1
133.10114	6.1
135.04465	6.7
135.11674	16.5
137.05910	1.7
137.09598	3.3
149.13272	1.7
153.00720	2.0
153.01834	22.9
161.02315	10.1
163.03888	8.2
175.14789	6.5
181.04990	5.8
193.15866	11.9
211.16940	12.1
247.94205	1.2
250.25276	4.7
251.25650	10.0
252.23172	9.6
253.23569	12.6
268.10614	1.6
276.23254	3.0
277.23615	5.7
287.05493	100.0
288.05811	5.3
294.24390	3.4
295.24805	6.5
298.60660	1.2
312.25366	2.3
312.55249	1.3
313.25583	5.3
439.29184	1.9
446.16971	1.3
457.30017	5.3
474.30411	1.9
475.30942	37.5
535.21332	23.5
535.32935	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2749
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
53.03935	1.5
55.01862	1.1
55.05502	1.7
56.46822	0.5
57.03434	1.5
61.02925	1.3
67.05512	2.8
68.99776	0.9
69.03135	0.6
69.03432	7.6
69.07059	2.2
70.06586	1.7
71.05000	1.0
71.17563	1.3
73.02924	1.8
78.25429	0.6
79.05495	0.9
81.03419	8.2
81.07051	3.8
83.04964	1.0
83.08604	0.9
84.08132	0.9
85.02904	13.0
85.06572	0.6
87.00829	5.5
91.03949	0.7
93.07045	1.8
94.07404	0.6
95.04945	0.7
95.08603	5.1
97.02879	4.0
98.09673	0.9
99.04460	3.2
100.11202	0.8
105.01853	2.8
105.07035	0.8
107.04931	0.6
107.08621	2.7
109.02892	7.0
109.06513	1.2
109.10155	14.1
117.01855	0.8
119.08572	4.7
121.02859	3.2
121.10143	1.4
123.04465	0.5
123.08065	2.1
123.11686	1.7
127.03913	8.6
133.10127	3.4
135.11691	11.8
137.02350	0.8
137.09610	2.2
141.91801	0.6
145.04971	3.1
149.13239	0.7
151.11206	1.4
151.14783	1.5
153.01813	4.6
154.09857	0.5
159.02930	3.5
165.01819	2.0
175.14803	5.7
183.02887	1.1
193.15886	7.7
211.16933	11.3
213.05486	0.6
231.06758	0.8
250.25188	0.9
251.25549	2.2
252.23279	2.3
253.23531	2.2
258.05197	1.2
260.20120	0.8
276.23172	1.1
277.23538	1.4
287.05502	100.0
288.05811	8.3
294.24310	0.7
295.24487	1.4
312.25421	0.9
457.30383	1.0
466.51761	0.6
475.30927	6.2
535.33093	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11559	0.3
55.01859	1.1
55.05507	0.5
67.05492	1.2
69.03425	1.0
69.07070	0.5
77.80971	0.4
78.42449	0.3
79.05479	1.4
81.03404	1.4
81.07063	0.7
82.22407	0.4
83.04994	0.4
83.35421	0.4
85.02896	2.1
86.09733	0.4
87.00803	0.9
89.66325	0.4
91.05491	0.9
95.01310	1.5
95.04974	2.1
97.02896	0.5
98.20704	1.0
105.01881	0.4
105.03373	3.4
105.07030	0.6
107.04935	0.8
109.02872	0.8
119.08496	0.5
121.02882	0.6
123.00702	0.4
123.04417	5.7
127.03909	0.7
133.02847	2.4
133.10078	0.4
135.29875	0.4
145.04869	0.4
150.03055	0.4
151.03918	4.0
161.02321	5.0
161.05984	1.1
163.03941	0.7
167.03404	0.6
179.03383	100.0
180.03694	0.9
184.07335	1.1
196.52811	0.4
201.09106	0.4
205.04889	2.3
208.64516	0.4
229.08539	1.2
233.55621	0.5
243.06497	0.4
245.08107	3.9
267.06506	0.6
273.07611	0.7
287.05490	10.9
294.56827	0.4
295.05945	1.0
297.07596	3.1
311.05450	1.1
315.08612	9.6
341.06534	13.2
341.09839	0.5
359.07571	5.1
383.11218	1.0
448.18665	0.4
499.13611	0.6
517.14703	1.0
535.15997	0.5
556.75922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47568	0.7
53.03936	2.6
55.01860	2.7
55.05519	0.9
57.03434	1.8
58.25013	0.7
61.02898	0.8
62.88840	0.7
67.05492	2.2
68.99781	1.0
69.03427	5.7
69.07048	0.8
70.06613	1.1
70.83092	1.9
70.83489	1.8
71.04990	1.4
72.89774	0.8
73.02895	1.7
79.05488	2.0
81.03416	7.4
81.07040	1.7
83.08604	0.9
85.02901	10.6
86.09714	1.0
87.00818	3.9
91.05471	1.8
93.07040	1.5
95.01302	1.3
95.04981	1.1
95.08595	1.6
97.02892	4.7
99.04443	2.3
105.01865	2.5
105.03387	3.4
107.04939	1.7
107.08590	1.1
109.02882	6.0
117.01847	1.4
121.02875	3.2
122.90366	0.8
123.04412	5.0
127.03909	8.6
129.01807	1.4
133.02849	2.5
137.06007	1.0
144.01050	0.7
145.04962	2.0
147.04359	1.4
149.02290	0.8
151.03954	3.1
153.01807	4.0
159.02838	2.9
161.02327	7.4
161.06017	1.6
163.03880	2.3
163.07523	1.1
165.01773	2.0
167.03415	2.3
177.01823	1.3
179.03389	85.7
180.03764	0.9
181.64470	0.8
183.02927	1.0
184.07381	1.8
184.08850	0.8
205.04951	2.0
213.05397	1.6
217.38335	0.8
229.08583	1.5
245.08133	3.8
247.29089	0.9
258.05289	1.2
287.05481	100.0
288.05835	2.1
295.05997	1.3
297.07526	2.5
315.08554	6.5
323.05301	0.8
328.72791	0.9
341.06488	8.6
341.09915	1.2
359.07666	4.9
383.11404	1.3
477.29877	0.8
517.14240	1.0
550.54370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1078
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03936	1.6
55.01860	1.7
55.04873	0.6
55.05501	1.1
57.02455	0.8
57.03421	0.7
59.78787	0.8
60.08154	2.2
61.02899	1.2
63.49050	0.8
67.05491	1.4
68.99773	1.0
69.03416	5.7
69.07066	1.1
70.83197	1.5
70.83551	1.6
71.04991	1.3
73.02895	1.7
79.05485	1.5
81.03421	6.9
81.07050	1.4
85.02893	8.5
86.09695	10.3
87.00812	4.5
91.05502	1.3
93.07050	1.3
95.04934	1.0
95.08610	1.2
97.02922	3.9
97.03458	0.7
98.98437	1.6
99.04448	2.2
104.10713	1.7
105.01845	3.1
105.07019	1.4
107.04945	1.9
107.08600	1.5
109.02872	6.3
109.10138	0.8
117.01835	1.1
121.02855	2.9
121.10151	0.8
124.99979	7.2
127.03895	7.2
131.08546	0.8
133.10132	0.7
145.04982	1.6
145.10062	0.9
149.09595	1.1
153.00743	0.7
153.01785	4.0
156.12625	0.7
159.02852	3.2
163.11166	1.0
165.01886	1.4
179.03418	6.8
183.02722	0.8
184.07332	28.9
185.07718	3.4
205.06551	0.8
241.04834	0.8
258.05475	0.8
287.05481	100.0
288.05746	1.6
291.19470	1.5
341.06363	1.0
411.44791	0.9
534.31757	1.1
535.20367	0.9
535.28418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1082
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03932	0.2
55.01851	0.2
61.02901	0.2
65.03920	0.2
66.25996	0.1
67.05500	0.2
68.99787	0.7
69.03423	1.0
69.07034	0.1
69.57713	0.7
69.58144	0.5
70.06582	0.6
71.04986	0.2
79.05482	0.3
81.03396	0.6
83.04953	0.2
84.04485	0.2
84.08138	0.1
85.02892	1.2
86.09683	0.3
87.00816	0.3
91.05468	0.5
93.06985	0.2
95.04958	0.4
95.08557	0.2
97.02882	0.6
105.01875	0.2
105.03375	0.2
105.07006	0.3
105.61211	0.2
107.04930	0.5
109.02244	0.2
109.02868	1.0
109.10142	0.1
111.00764	0.9
111.04432	0.3
119.04931	0.3
119.08547	0.4
120.08083	0.3
121.02867	3.5
121.03759	0.1
121.10136	0.2
127.03902	1.6
128.06982	0.2
133.02837	0.9
133.10109	0.2
137.02342	1.0
137.05952	0.3
145.04961	0.3
145.06467	0.3
146.19859	0.1
147.04388	0.8
151.03908	0.2
153.01814	4.7
157.06462	0.5
159.02919	0.3
161.05899	0.2
162.12877	0.2
163.03914	0.4
165.01822	1.9
167.06993	0.1
171.02919	0.2
171.04407	0.2
175.14792	0.3
183.02882	1.1
185.05969	0.6
201.05484	0.2
207.13879	0.2
213.05516	1.5
231.06459	0.6
240.64970	0.2
241.04945	0.9
258.05225	1.2
259.05875	0.7
269.04538	0.2
287.05484	100.0
288.05835	1.0
449.10663	0.8
535.10486	0.8
535.23627	0.2
535.30835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01860	1.7
55.04873	0.6
55.05501	1.1
57.02455	0.8
57.03421	0.7
59.78787	0.8
60.08154	2.2
61.02899	1.2
63.49050	0.8
67.05491	1.4
68.99773	1.0
69.03416	5.7
69.07066	1.1
70.83197	1.5
70.83551	1.6
71.04991	1.3
73.02895	1.7
79.05485	1.5
81.03421	6.9
81.07050	1.4
85.02893	8.5
86.09695	10.3
87.00812	4.5
91.05502	1.3
93.07050	1.3
95.04934	1.0
95.08610	1.2
97.02922	3.9
97.03458	0.7
98.98437	1.6
99.04448	2.2
104.10713	1.7
105.01845	3.1
105.07019	1.4
107.04945	1.9
107.08600	1.5
109.02872	6.3
109.10138	0.8
117.01835	1.1
121.02855	2.9
121.10151	0.8
124.99979	7.2
127.03895	7.2
131.08546	0.8
133.10132	0.7
145.04982	1.6
145.10062	0.9
149.09595	1.1
153.00743	0.7
153.01785	4.0
156.12625	0.7
159.02852	3.2
163.11166	1.0
165.01886	1.4
179.03418	6.8
183.02722	0.8
184.07332	28.9
185.07718	3.4
205.06551	0.8
241.04834	0.8
258.05475	0.8
287.05481	100.0
288.05746	1.6
291.19470	1.5
341.06363	1.0
411.44791	0.9
534.31757	1.1
535.20367	0.9
535.28418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1079
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03927	1.7
55.01855	1.3
57.03425	0.7
61.02901	0.7
68.99788	1.4
69.03426	6.6
69.84785	1.0
69.85201	1.7
71.04978	0.9
72.98409	0.5
73.02899	1.6
79.05502	0.5
81.03410	7.6
81.07037	0.5
85.02900	10.9
86.09698	1.2
87.00820	3.6
91.03953	0.5
91.05466	0.4
93.07034	0.5
95.08614	0.5
97.02891	4.1
98.21544	0.5
99.04441	1.9
104.10712	0.4
105.01865	2.8
105.07018	0.5
107.04935	0.8
109.02870	6.0
109.10118	0.6
111.00795	0.6
117.01827	1.1
121.02848	3.0
125.00018	0.8
127.03906	8.1
137.02357	1.1
145.04951	2.9
147.04427	0.7
149.02568	0.5
151.03705	0.4
153.01839	5.0
157.10124	0.6
159.02870	4.0
165.01822	1.6
179.03412	2.6
183.02924	0.6
184.07339	3.4
185.06015	0.7
213.05518	1.0
231.06717	0.5
241.04965	1.1
258.05258	1.2
287.05481	100.0
288.05701	0.8
329.06299	0.5
341.06409	0.6
422.29929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1079
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	2.5
55.01858	1.2
57.14104	0.5
60.32262	0.5
61.02911	0.9
67.05470	0.5
68.99781	1.8
69.03423	5.4
69.76181	3.4
70.06577	0.9
71.04974	0.6
73.02897	1.5
79.05469	0.7
81.03407	7.0
81.07043	0.6
85.02415	0.9
85.02903	9.1
87.00815	4.0
95.08590	0.9
97.02875	3.9
98.09699	0.7
99.04438	2.4
105.01856	2.2
109.02875	5.0
117.01836	1.0
121.02844	2.5
127.03922	6.7
129.01834	0.6
137.02274	0.6
145.04903	1.4
153.01822	4.1
159.02924	3.2
165.01834	1.8
169.77466	0.5
183.02957	0.6
213.05463	1.9
219.48613	0.6
231.06802	0.7
241.04965	1.2
250.25305	0.6
252.23335	1.6
258.05249	1.3
275.02872	0.5
276.23248	1.3
287.05484	100.0
288.05768	0.8
323.51605	0.5
474.30341	2.8
475.30795	1.0
534.32568	4.0
535.32709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1079
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03907	1.6
55.01833	0.7
55.05504	2.2
56.05006	1.1
57.03394	1.8
58.06558	1.4
60.53731	0.5
61.02892	1.0
67.05503	4.3
68.05798	0.5
68.10882	0.4
68.99754	1.3
69.03426	7.0
69.07026	1.8
69.61137	0.4
69.87531	1.6
69.87942	0.7
70.06587	5.9
71.04956	0.9
72.08134	1.0
73.02866	0.9
78.80636	0.4
79.05446	1.7
79.55492	0.4
81.03413	6.4
81.07055	4.5
82.07349	0.6
83.04920	0.4
84.08133	2.5
85.02899	7.5
85.08435	0.5
87.00811	2.3
91.05466	0.6
93.07033	2.4
95.01356	0.5
95.08604	4.4
96.08080	1.3
96.08856	0.6
97.02879	11.4
98.09669	2.6
99.04404	1.7
105.01816	1.3
105.03365	0.8
107.04922	0.8
107.08551	1.2
109.02879	3.8
109.10101	1.0
110.09653	0.6
111.00719	1.0
119.08570	0.6
119.35894	0.4
121.02853	3.7
121.10056	1.0
127.03920	4.5
133.02800	0.4
137.02293	0.8
138.12689	0.5
145.04944	4.3
147.04343	0.7
152.05479	0.4
153.01811	4.7
159.02798	0.7
165.01871	2.4
166.70241	0.4
171.04396	0.5
183.02867	1.0
185.05969	0.7
208.17043	0.4
213.05423	1.8
222.22342	0.7
223.29839	0.4
231.06612	0.5
241.04854	1.4
248.23711	0.7
250.25270	8.2
251.25493	2.0
252.23227	9.2
253.23514	2.6
258.05219	1.9
260.80670	0.5
276.23206	8.1
277.23553	2.8
287.05481	100.0
288.05850	1.0
294.24274	4.8
295.24619	1.7
297.45078	0.5
312.25272	2.7
313.25580	1.0
327.52597	0.5
456.29517	2.2
457.29736	1.1
474.30630	15.5
475.30930	6.7
534.32703	27.5
535.33075	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1082
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03930	1.6
55.01873	2.4
55.05515	0.6
57.03413	1.2
61.02917	0.9
61.50827	0.4
65.67189	0.4
67.05486	1.7
68.99786	1.2
69.03427	7.1
69.07047	1.2
70.06592	3.5
70.84330	0.9
71.04974	1.7
72.49780	0.5
73.02899	1.7
78.32915	0.4
79.05476	1.2
81.03417	7.9
81.07063	2.2
83.08621	0.5
84.04491	0.5
84.08152	0.4
85.02900	14.3
86.09692	1.7
86.91074	0.4
87.00823	4.0
91.03959	0.4
91.05466	1.3
93.07045	1.2
95.04964	1.0
95.08625	2.0
97.02888	4.4
97.35658	0.4
99.04448	2.3
103.05398	0.5
105.01861	2.9
105.03425	0.5
105.07018	1.1
107.04941	1.3
107.08585	0.8
109.02873	6.6
109.10158	1.0
111.00800	0.7
111.08067	0.5
115.03978	0.6
117.01850	1.4
119.08566	1.5
120.08067	0.9
121.02863	2.3
121.10150	0.9
123.08043	0.6
125.05916	0.4
125.09599	0.5
127.03918	8.7
129.01820	0.6
131.04951	0.4
133.02888	0.5
133.06482	0.5
133.10103	1.1
135.04396	0.8
135.11693	0.6
137.02318	1.1
137.05952	0.7
143.10712	0.6
145.04948	2.9
145.10153	0.6
147.02823	0.6
147.11661	0.5
147.36530	0.4
153.01828	5.3
159.02910	3.8
161.02345	4.0
161.05963	0.6
163.03883	1.6
165.01843	1.5
167.07054	0.5
175.14832	1.0
181.04985	1.0
183.02876	0.7
185.06039	0.6
187.07559	0.5
188.22899	0.5
200.10352	0.6
201.61981	0.4
213.05499	1.1
231.04927	1.4
237.07506	0.5
241.04926	1.0
241.08640	0.8
241.17999	0.5
250.25304	1.3
252.23206	2.5
253.23535	0.9
269.04175	0.4
269.08069	2.9
276.23239	1.2
277.23581	0.7
287.05496	100.0
288.05704	1.3
294.24100	0.6
297.07504	1.0
311.09088	0.8
312.25305	0.6
429.11441	0.4
474.30716	3.3
475.30835	1.6
495.37781	0.5
534.32831	7.3
535.19098	0.6
535.25531	0.6
535.33099	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1093
Annotation	Scutellarein 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03942	0.7
53.06046	0.3
55.01875	0.4
55.05510	3.9
56.05021	0.6
56.05841	0.5
57.03427	1.3
58.06590	2.3
59.04992	0.4
67.05500	6.2
68.05835	0.3
68.99799	0.4
69.03414	1.3
69.07071	2.3
70.06590	17.3
71.04993	0.6
71.06915	1.2
71.58220	0.7
72.08151	0.4
73.02893	0.5
79.05489	2.9
81.03418	3.5
81.07048	5.2
82.06558	0.6
82.07378	0.7
83.08610	0.8
84.04515	0.4
84.08141	2.1
85.02887	2.3
85.08450	0.7
85.08915	5.1
86.09257	1.0
91.05452	0.8
93.07037	3.3
94.06561	0.5
95.04969	0.6
95.08595	6.4
96.08110	1.0
96.08899	0.7
97.02887	0.7
97.06493	0.5
97.08926	0.4
97.10133	0.5
98.09679	2.4
99.04446	0.6
100.11252	90.4
101.10971	1.7
101.11577	25.0
102.11912	0.9
103.07593	0.7
105.07036	0.9
107.04952	5.3
107.08572	2.0
109.02875	2.0
109.06449	0.4
109.10140	2.2
110.09658	0.7
111.08108	0.5
119.08575	0.6
121.10149	1.0
123.11681	0.5
127.03912	0.8
131.08560	0.8
133.08641	0.4
133.10101	0.5
135.04404	8.4
135.11707	1.0
136.12041	0.4
137.02380	0.7
145.10118	0.4
153.01822	26.9
153.63239	0.4
234.74930	0.4
245.04353	0.4
248.23743	0.8
250.25308	8.3
251.25661	2.5
252.23203	15.9
253.23544	5.6
276.23227	8.0
277.23523	3.1
287.05481	100.0
288.05914	2.1
294.24274	6.3
295.24597	2.0
297.76593	0.3
312.25299	4.5
313.25696	1.4
354.26450	0.6
372.27420	2.9
373.27728	1.1
430.53284	0.4
449.10944	1.8
456.29605	2.2
457.29807	1.5
464.30206	0.4
474.30618	22.2
475.31012	12.8
475.37589	0.3
534.32764	36.3
535.11292	2.2
535.21185	2.8
535.33044	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.9
55.26615	1.3
57.07071	1.7
58.04795	1.4
60.08151	5.0
62.78546	1.2
65.24393	1.3
67.05502	27.0
69.07057	6.2
69.41456	1.2
70.29108	5.1
71.07368	3.0
71.08617	2.1
79.05473	5.6
81.07054	13.6
82.06564	3.5
83.07359	1.6
83.08614	2.9
83.94684	1.3
85.02895	2.7
85.92726	1.4
86.09224	1.8
86.09702	20.6
91.05475	5.3
93.07042	6.3
95.08611	19.8
96.08110	2.5
97.06528	2.2
97.10153	1.3
98.98465	2.4
104.10738	46.4
105.07046	2.1
105.25182	1.4
106.63264	1.4
107.08571	3.9
109.10166	8.7
119.08585	2.2
121.10130	4.4
123.11708	3.8
124.11231	100.0
125.00000	12.2
133.10124	2.6
142.12254	6.1
149.13297	2.4
155.14311	2.0
161.13246	3.0
165.16364	2.1
175.14873	2.0
184.07329	33.1
222.08923	5.2
245.22641	9.9
251.76859	1.6
263.23660	13.3
337.27448	9.7
456.43405	1.4
475.22214	1.7
516.34241	3.8
534.35767	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.4
58.06601	0.4
60.08158	6.3
66.75067	0.3
67.05476	1.0
69.07057	0.6
71.07363	3.0
71.58641	0.4
71.59022	0.4
74.99394	0.3
81.07058	0.8
86.09702	32.3
87.10010	0.3
91.05429	0.4
93.55544	0.3
95.08589	0.7
97.80666	0.3
98.98459	3.5
104.10735	3.1
124.99998	21.5
143.01060	0.6
154.84639	0.3
166.10439	0.3
184.07330	100.0
185.07695	0.5
200.30936	0.3
231.48643	0.3
287.05542	1.2
516.34613	0.9
534.35211	1.4
551.87091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88441	7.8
53.61419	8.2
55.05505	27.4
57.07076	17.3
63.81496	8.5
67.05507	90.3
69.03410	9.2
69.07056	20.7
71.08603	12.3
71.32419	27.6
73.04250	9.6
76.66991	9.7
77.96867	8.0
79.05489	36.5
81.03408	9.7
81.07052	100.0
83.08621	19.4
85.02905	10.4
85.10210	7.9
86.09738	9.7
91.05459	25.6
93.07035	35.0
95.08604	63.1
97.06519	11.7
97.10168	11.0
104.10726	23.8
105.07022	15.5
107.08590	12.1
109.10168	41.2
119.08624	21.4
121.10136	21.7
121.52833	10.7
123.11752	11.6
124.11232	39.3
133.10120	19.1
147.11716	13.7
149.13286	12.3
164.43372	8.5
175.14790	19.7
184.07332	21.6
195.05820	10.0
201.67455	9.0
214.82915	8.9
245.22612	39.1
263.23700	67.4
287.05435	24.8
314.68912	9.9
337.27353	27.0
389.26993	16.3
407.27686	9.8
534.35907	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.1
55.05509	0.2
56.05030	0.3
57.07060	0.4
65.03932	0.8
67.05500	8.2
68.05029	1.1
69.07057	0.1
70.06577	0.5
71.03535	0.3
71.08596	0.1
77.51949	0.1
79.05472	0.3
80.04992	0.1
81.07042	0.2
82.06117	0.2
82.06576	2.6
83.07351	2.2
86.09678	0.3
91.05494	1.0
93.07037	3.0
94.06562	0.3
95.04924	0.2
95.07349	0.4
95.08602	2.4
96.08126	1.5
98.09682	0.3
104.10751	0.3
105.06994	0.1
107.08605	0.1
108.08115	0.2
109.08889	0.3
122.09685	0.3
124.11222	100.0
124.99999	0.1
125.11551	0.7
142.12267	5.4
155.56596	0.1
173.59328	0.1
184.07372	0.5
222.08887	3.7
263.66125	0.1
287.05624	0.2
313.27356	0.6
459.38037	0.1
516.34088	0.2
534.35492	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31016	1.0
53.03941	3.0
55.01859	1.4
55.05508	5.6
56.05030	1.5
56.44534	0.9
57.03435	2.4
58.06587	1.8
61.02917	1.4
61.20993	1.0
67.05502	11.5
69.03427	7.4
69.07070	4.7
70.06588	15.5
70.14227	4.5
71.04981	1.6
72.08147	2.4
72.14655	0.8
79.05489	4.8
81.03416	12.6
81.07058	10.0
83.08618	1.1
83.56612	0.9
84.08130	4.8
85.02904	7.6
87.00838	1.9
91.05485	1.8
93.07018	4.6
95.08595	9.4
96.08121	3.3
97.02895	13.1
97.10134	1.1
98.09689	6.4
99.04448	2.8
105.01869	1.5
107.08595	2.9
109.02864	6.6
109.10152	3.3
119.08569	1.6
121.02868	2.6
121.10110	1.7
124.11092	1.1
127.03903	5.3
133.10080	1.4
135.11722	1.5
137.02385	1.0
145.04964	4.9
153.01819	3.7
165.01843	1.7
182.93953	0.9
208.16989	1.4
213.05554	2.2
222.22197	2.1
241.05013	1.0
248.23788	3.5
250.25270	23.9
252.23225	26.4
258.05380	1.5
276.23196	24.2
287.05481	100.0
294.24268	13.4
312.25296	7.3
365.06564	1.1
368.88403	1.0
456.29388	7.0
474.30621	51.0
475.31198	1.6
534.32721	98.5
535.33173	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12667	0.6
52.21604	0.6
53.03947	1.3
55.05511	3.6
56.05029	1.3
57.03432	1.5
58.06596	2.8
59.04977	0.8
60.15738	0.5
62.97787	0.6
63.80438	0.5
65.35196	0.6
67.05505	9.3
69.03436	1.8
69.07071	2.2
70.06593	25.2
71.04978	0.6
72.08138	0.6
79.05491	4.4
80.85061	0.6
81.03416	4.7
81.07049	8.8
82.06582	1.2
83.08627	1.4
84.08140	1.4
85.02908	2.4
85.08934	0.8
91.05485	2.4
93.07039	4.6
95.04970	0.8
95.08604	7.5
96.08135	1.9
98.09698	2.0
98.20704	1.3
99.04457	0.9
100.10594	1.3
100.11255	27.0
101.10941	1.2
101.11565	7.0
105.07032	1.2
107.04937	1.2
107.08595	1.8
109.02839	2.8
109.10148	3.1
109.68967	0.6
110.09677	0.8
119.08630	0.7
121.10143	1.2
123.11735	0.7
125.13793	0.6
127.03936	0.8
130.51532	0.6
133.08644	0.7
133.10106	0.8
135.04405	2.4
135.11790	0.7
153.01823	6.2
224.19966	0.7
239.45493	0.6
248.23830	1.7
250.25302	18.4
252.23216	27.9
253.23709	1.2
276.23245	13.8
287.05493	29.8
294.24289	9.5
302.26053	0.6
312.25314	10.2
333.75204	0.6
372.27573	3.1
402.85352	0.6
438.28815	1.0
456.29614	5.3
474.30634	53.3
475.31033	1.6
534.32751	100.0
535.10791	1.1
535.20343	0.7
535.33142	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01868	1.3
55.05507	4.0
55.97984	0.6
56.05027	1.5
57.03429	2.6
58.06578	2.3
61.02884	0.9
67.05180	0.8
67.05509	9.0
67.23068	0.6
68.99798	0.9
69.03432	5.3
69.07060	4.5
70.06252	1.1
70.06594	12.4
70.87212	1.3
70.87550	1.2
71.04975	2.5
72.08145	2.1
73.02908	1.5
75.82932	0.7
79.05493	4.9
81.03408	8.4
81.07052	11.6
83.08611	1.5
84.08132	6.5
85.02904	10.8
87.00822	3.6
91.05485	1.5
93.07026	5.0
95.08598	9.7
96.08125	3.0
97.02886	3.2
98.09703	4.9
98.74152	0.7
99.04448	2.1
100.11246	2.4
105.01879	1.8
105.07043	2.6
107.08564	3.5
109.02875	8.4
109.06450	0.8
109.10136	3.8
110.09671	1.1
112.11254	0.7
119.08596	1.4
121.02856	2.0
121.10115	2.7
124.93502	0.6
127.03915	6.2
131.08565	0.8
133.10146	1.5
135.11693	2.2
145.04935	2.0
145.94859	0.8
153.01822	3.3
159.02893	2.8
165.01854	1.5
175.14856	1.5
193.15894	1.3
211.16943	2.4
213.05713	0.9
213.07857	0.7
248.20177	1.0
248.23756	2.6
250.25293	15.4
252.23244	23.0
258.05261	1.1
276.23230	17.1
287.05490	77.1
294.24249	10.3
312.25253	7.5
372.27313	1.3
438.28415	2.0
456.29535	4.8
474.30630	42.4
475.31137	2.8
534.32739	100.0
535.33221	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.05516	4.1
56.05033	1.3
57.03436	1.6
58.06592	2.6
59.18921	0.6
65.53333	0.7
67.05502	8.7
69.03422	2.8
69.07066	3.8
70.06590	18.1
70.87454	1.7
72.08160	1.3
79.05499	5.3
81.03415	5.9
81.07062	10.7
82.06605	1.2
83.08614	0.8
84.08153	4.2
84.29223	0.7
85.02901	4.1
91.03958	0.6
91.05484	2.4
93.07053	5.0
95.04982	0.8
95.08606	8.4
96.08130	2.4
98.09705	4.7
99.04442	1.0
100.11261	22.0
101.11584	5.5
105.06998	1.6
107.08591	3.3
109.02895	4.5
109.10148	3.2
110.09697	1.1
112.56502	0.7
117.07036	1.1
119.08584	0.9
121.10149	2.2
127.03890	1.9
131.08588	0.7
133.10139	0.8
135.11716	0.6
138.63945	0.6
153.01822	1.1
159.11681	0.9
167.07104	1.6
168.07329	1.1
194.15594	0.6
248.23851	2.4
250.25294	18.1
251.25685	0.8
252.23227	24.7
269.07809	0.7
276.23248	18.2
276.26123	1.3
287.05508	36.7
294.24295	13.6
312.25250	9.0
354.14273	0.8
354.26456	2.1
372.27435	10.1
376.84805	0.7
378.80344	0.7
385.91132	0.7
456.29727	5.2
474.30624	48.5
475.31177	1.8
534.32751	100.0
535.32928	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
55.60670	0.2
56.05024	0.5
56.96544	0.3
58.06597	0.4
59.07390	0.4
60.07880	0.4
60.08163	6.2
62.65316	0.3
67.05503	0.5
67.36831	0.3
69.07062	0.4
71.04729	0.5
71.07367	3.0
79.05482	0.4
81.07045	0.4
85.02898	0.4
86.09704	31.6
91.05535	0.3
93.07033	0.6
98.98460	3.1
104.10752	3.3
105.07092	0.3
107.08593	0.3
125.00002	20.2
143.01071	0.4
178.50772	0.3
184.07336	100.0
250.16339	0.3
287.05392	1.8
335.28394	0.3
426.17902	0.3
498.29504	0.5
507.95297	0.3
516.31091	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01859	0.6
56.05021	0.9
57.03402	0.6
58.06583	0.5
60.08158	8.2
61.02921	0.4
67.05490	1.0
68.99778	0.6
69.03421	2.5
69.73550	2.6
71.07035	0.4
71.07372	4.4
72.53614	0.5
73.02911	0.5
80.78132	0.4
81.03428	3.3
81.07037	0.8
81.17858	0.4
85.02895	4.3
86.09701	37.7
87.00822	2.5
95.08586	0.7
97.02877	1.5
98.98452	3.2
99.04436	1.4
104.10733	6.5
105.01850	1.2
109.02869	3.2
111.00817	0.5
121.02859	1.0
124.99993	26.5
127.03917	4.1
137.02267	0.4
143.01027	1.0
145.04913	1.1
152.87505	0.5
153.01801	1.3
159.02861	1.8
165.01823	0.9
179.03384	1.0
184.07326	100.0
185.07558	0.5
200.25423	0.4
213.05515	0.4
287.05472	44.2
347.25449	0.5
348.26242	0.6
422.29758	1.3
460.02023	0.5
516.30853	2.7
534.32098	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40142	0.3
55.05485	0.4
55.84992	0.3
56.05032	0.6
58.06593	0.7
60.07883	0.5
60.08162	7.0
67.05497	0.5
71.07372	3.4
71.58670	0.6
79.05463	0.4
81.03368	0.4
81.07041	0.3
83.08635	0.3
85.82299	0.3
86.09702	32.5
91.05499	0.5
95.04973	0.4
98.98459	3.0
104.10738	7.9
105.06977	0.5
107.08595	0.3
124.99999	22.0
143.01067	0.4
184.07327	100.0
201.05566	0.3
229.54903	0.3
258.11023	0.4
287.05444	1.6
315.08841	0.3
516.30737	1.4
534.32092	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01870	36.6
55.05501	13.4
58.54941	3.9
66.56998	3.8
67.05505	27.6
69.07062	22.6
70.38604	15.6
78.30521	3.7
79.05490	36.1
81.03401	7.4
81.07049	26.3
83.04964	10.9
83.08597	4.5
91.05477	31.7
93.07036	36.0
95.04974	12.0
95.08602	23.3
97.06534	40.2
97.10165	3.6
99.04420	4.8
99.56582	3.6
103.12930	3.3
104.10703	6.2
104.21861	4.5
105.07056	25.8
106.50388	4.1
107.04952	34.4
107.08595	14.2
109.06559	5.2
109.10184	4.5
111.04454	16.2
117.07015	7.6
119.08560	14.7
121.06490	4.6
121.10129	7.2
123.08080	8.7
124.11244	11.1
125.09625	4.7
129.06982	10.0
131.08582	10.4
133.10088	10.2
135.08112	8.6
139.11122	3.8
145.10112	6.9
147.11707	15.5
149.09599	24.1
153.09096	6.0
157.10202	4.3
161.09648	5.1
161.13326	5.4
167.14394	3.9
171.11713	10.3
184.07368	5.2
189.12753	4.4
193.12306	6.8
195.13805	6.4
207.13824	10.4
263.20242	5.7
273.18494	16.3
291.19513	100.0
304.67035	3.9
324.11209	4.0
326.59601	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
58.06593	0.5
67.05508	0.2
70.06586	2.3
70.72623	0.5
72.75406	0.1
79.05489	0.2
81.07073	0.2
84.08132	1.4
85.02901	0.2
85.08923	4.6
91.00735	0.2
93.07068	0.2
100.11255	100.0
101.11015	0.2
101.11559	0.8
107.08607	0.2
109.02898	0.2
109.10139	0.2
114.30804	0.2
121.10163	0.2
127.03108	0.2
133.10190	0.3
137.09647	0.2
167.07095	0.2
175.91071	0.2
191.14313	0.3
250.25334	0.4
252.23280	0.6
276.23172	0.3
294.24210	0.2
296.11230	0.2
334.63672	0.2
474.30753	0.7
488.27481	0.3
533.33539	1.4
534.32819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.1
55.01862	1.2
55.05507	2.2
55.93523	1.4
56.05034	12.3
61.01144	10.3
65.03934	1.1
67.05511	2.8
69.03413	4.1
69.07059	2.7
70.06583	1.6
70.54906	3.6
72.45831	0.8
72.93771	1.2
77.91354	1.0
79.05482	3.4
81.03415	4.5
81.07057	5.0
83.08633	1.1
85.02886	4.3
86.09703	100.0
87.00820	1.2
88.03991	11.2
91.05466	2.6
93.07040	4.4
95.04966	2.4
95.08577	2.2
97.02884	1.7
97.06549	1.6
97.10129	1.3
98.06048	10.4
99.04469	1.1
104.05323	28.1
105.07041	5.1
107.05001	2.2
107.08604	3.1
109.02868	1.9
109.10128	1.7
117.06910	1.3
119.04965	1.0
119.08585	2.2
121.06493	2.1
121.10139	2.9
123.04428	1.7
127.03913	3.2
131.04889	1.5
131.08545	1.6
132.10242	1.9
133.06532	1.4
133.10139	1.6
135.08015	1.1
135.11714	1.0
137.06004	1.4
138.09071	1.1
143.08563	1.1
145.10098	2.1
146.06343	24.2
147.04375	1.3
147.11687	1.0
149.02263	1.3
149.05980	14.5
149.13211	0.9
151.03949	0.9
155.08580	1.0
156.10149	1.8
157.10197	1.1
159.11668	2.0
161.02350	2.1
161.06006	3.2
163.03883	3.7
163.07526	11.9
163.11203	1.4
165.09106	2.5
167.03281	1.0
167.07001	2.8
169.10095	1.0
170.97308	1.3
171.11726	1.4
174.05838	23.9
175.07672	1.4
179.03415	2.7
181.04980	1.9
183.11432	2.1
189.09047	1.0
191.10793	1.2
193.08578	1.0
194.97374	1.7
201.12341	17.4
203.07007	3.2
203.10619	2.1
208.98964	2.6
212.98441	2.2
221.08076	9.8
223.00606	1.5
227.00050	2.7
229.11890	8.0
229.98734	4.2
236.98438	6.0
240.97948	1.7
241.01514	1.5
245.18596	3.7
253.01575	4.0
254.99588	1.1
289.08521	23.3
294.24118	0.9
295.02679	2.1
315.05121	1.3
353.04556	4.9
353.09665	1.2
354.26422	2.2
365.03354	1.8
371.05838	14.2
371.10840	2.6
371.15167	1.3
372.05780	1.4
372.27429	1.6
374.17386	3.0
379.04636	1.3
389.06775	2.7
397.05652	5.6
402.16910	1.9
412.08069	1.3
533.17255	1.7
533.26062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70603	0.9
53.03942	3.8
55.01863	4.4
55.05508	2.0
55.36808	0.9
57.03440	6.3
59.04983	1.2
61.02923	9.5
67.05495	3.9
69.03429	30.4
69.03809	1.4
69.07072	8.8
69.38504	8.8
70.06567	0.9
71.04990	3.5
73.02913	3.6
74.32607	0.9
79.05486	6.8
81.03412	13.8
81.07050	8.5
81.40592	0.9
83.01363	1.3
83.04986	1.9
83.08640	2.1
85.02903	87.9
87.04462	4.5
91.03947	3.7
91.05473	10.4
93.07040	6.0
95.04960	7.6
95.08595	5.1
95.91747	0.9
97.02888	33.8
97.06535	3.3
99.04447	5.4
105.07029	6.6
107.04990	2.9
107.08582	7.1
109.02881	9.2
109.06493	5.0
109.10174	3.2
111.04455	1.7
111.08113	1.3
115.03921	1.6
115.05461	1.2
117.07025	1.2
119.04926	4.5
119.08584	7.6
121.02895	1.2
121.06483	5.4
121.10150	4.4
122.07270	5.0
123.04431	2.0
123.08057	18.1
123.11725	1.4
124.03935	6.7
125.04270	1.8
127.03915	26.3
131.04929	1.6
131.08554	2.2
133.10114	5.9
135.04579	1.0
135.08051	27.3
135.11688	4.6
137.06004	1.4
137.09639	2.0
137.13232	1.1
143.08548	1.0
145.04951	31.4
145.10144	1.7
147.08098	1.8
147.11700	2.7
149.05986	12.9
149.13271	1.5
159.11729	1.4
161.05972	4.0
161.09589	1.2
163.03868	4.5
163.06062	3.5
163.07529	2.2
163.14795	1.8
164.07832	1.4
165.12766	18.6
167.07086	3.4
171.06554	1.7
173.06017	1.1
173.13278	1.6
175.11215	1.0
175.14842	4.1
176.11961	5.3
187.07654	1.6
189.07536	2.9
191.07043	1.5
191.14304	100.0
193.15877	11.7
195.11447	0.9
203.07100	1.2
207.13850	2.5
209.15359	11.5
267.10272	1.5
271.05984	2.9
285.11005	2.6
286.09180	1.1
287.09531	1.7
343.16928	1.0
353.19662	2.2
371.11136	2.2
371.20639	6.3
413.01880	1.0
469.77368	1.0
533.26056	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38080	1.2
53.03930	2.0
53.63873	1.0
55.01870	2.8
56.30459	1.1
61.50748	1.2
67.05496	3.3
68.99795	1.2
69.03423	1.9
69.07055	2.8
71.58311	1.4
77.03938	1.2
79.05486	3.6
81.07058	4.0
85.02903	3.3
91.05482	6.0
93.07056	6.6
95.04969	5.0
95.08587	2.1
97.02869	1.3
97.06503	1.2
103.05463	4.3
105.07034	1.9
107.04955	2.4
107.08603	1.3
117.07022	1.3
119.08614	1.8
120.08061	1.2
121.06521	6.2
123.04423	27.4
123.08076	1.3
131.04909	3.3
131.08569	1.8
133.06506	1.8
135.04388	1.3
141.07008	1.2
145.06435	1.6
145.48857	1.1
147.04399	2.9
147.11678	1.3
149.05978	100.0
161.02391	9.7
161.05980	12.5
161.09625	1.1
163.03897	2.1
163.07549	4.6
165.07004	1.3
167.03391	2.7
167.07043	64.6
173.06065	2.8
175.07597	5.5
177.05537	1.2
179.03394	4.1
183.08058	1.3
187.07455	1.7
189.01843	1.4
191.07005	2.0
193.08498	2.5
195.14029	1.3
203.10712	1.9
205.05009	2.1
205.12263	1.9
217.12227	7.2
224.08723	1.2
227.06982	1.8
259.12064	2.6
261.49020	1.1
267.06497	4.4
280.02219	1.1
285.10147	1.9
288.07037	1.2
295.05847	2.3
299.09119	1.4
303.11084	1.6
307.09613	1.2
311.05576	1.5
311.11411	1.5
313.07092	4.7
315.08578	1.5
315.12222	1.9
353.17526	1.6
365.10266	3.4
371.18552	1.8
381.09564	2.9
411.10544	2.2
416.94473	1.3
429.15845	1.4
470.50098	1.2
515.13306	2.4
533.13879	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01860	1.7
55.05518	1.8
60.95871	1.2
61.02948	1.1
67.05495	2.8
69.03428	4.1
70.06586	4.9
71.57603	2.7
71.57998	1.4
72.08147	1.7
78.51099	1.6
79.05486	7.5
81.03417	3.7
81.07049	3.0
83.04984	1.7
84.04489	1.9
84.08149	3.2
85.02898	6.3
86.09698	3.2
91.05476	4.9
93.07052	3.7
95.04977	4.2
95.08608	3.0
97.02879	3.5
97.06517	1.3
99.04488	1.7
103.05474	3.8
105.07027	8.6
106.04158	1.3
107.04952	13.6
107.08610	2.6
107.76163	1.3
109.02859	2.2
109.06531	2.2
110.07126	1.4
115.05459	4.5
117.06982	2.4
118.04189	2.1
119.04989	1.6
119.08565	2.8
119.49802	1.2
121.06469	1.6
121.10173	1.6
123.04420	4.6
123.08039	1.7
124.05202	3.1
125.05938	1.4
127.03921	4.7
128.06215	2.9
129.07010	4.6
131.04910	5.0
131.08569	1.7
132.05690	2.5
133.06479	4.8
135.04448	2.5
135.07991	1.5
137.05995	2.6
137.16380	1.4
137.17419	1.7
140.04553	1.6
144.05626	1.5
145.06470	1.8
147.04416	3.0
147.08078	4.0
149.54588	1.3
151.03880	2.7
152.04674	3.7
153.05478	2.1
155.04881	1.7
159.08049	5.2
161.05994	12.8
163.03909	5.1
163.07509	1.6
166.08646	2.1
167.07034	100.0
172.05159	2.2
175.07545	21.2
179.06964	1.5
187.07492	19.4
189.09093	1.5
190.07713	2.0
191.07063	11.1
191.08592	1.9
193.08580	1.3
199.07553	9.2
203.08603	3.9
217.08633	2.2
218.07320	3.6
221.09673	2.4
222.51877	1.4
223.07487	1.9
233.09628	3.0
233.78091	1.3
235.07628	2.9
246.06645	2.4
247.07684	1.6
249.09189	4.2
250.09883	1.4
251.07106	2.6
261.09122	4.3
263.07159	1.8
271.06003	1.7
277.08536	1.9
281.11740	6.2
289.08600	3.5
290.09488	1.8
293.11710	2.6
299.05615	2.3
307.09494	1.8
309.11209	5.7
311.09485	1.2
313.07010	1.4
321.11142	8.9
322.11932	3.3
341.06592	4.7
341.13873	13.8
350.73999	1.5
353.10065	2.0
353.13885	9.5
371.11462	6.0
409.03598	1.4
489.11877	1.7
533.21368	7.2
533.29498	5.6
534.23560	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01860	1.7
55.05518	1.8
60.95871	1.2
61.02948	1.1
67.05495	2.8
69.03428	4.1
70.06586	4.9
71.57603	2.7
71.57998	1.4
72.08147	1.7
78.51099	1.6
79.05486	7.5
81.03417	3.7
81.07049	3.0
83.04984	1.7
84.04489	1.9
84.08149	3.2
85.02898	6.3
86.09698	3.2
91.05476	4.9
93.07052	3.7
95.04977	4.2
95.08608	3.0
97.02879	3.5
97.06517	1.3
99.04488	1.7
103.05474	3.8
105.07027	8.6
106.04158	1.3
107.04952	13.6
107.08610	2.6
107.76163	1.3
109.02859	2.2
109.06531	2.2
110.07126	1.4
115.05459	4.5
117.06982	2.4
118.04189	2.1
119.04989	1.6
119.08565	2.8
119.49802	1.2
121.06469	1.6
121.10173	1.6
123.04420	4.6
123.08039	1.7
124.05202	3.1
125.05938	1.4
127.03921	4.7
128.06215	2.9
129.07010	4.6
131.04910	5.0
131.08569	1.7
132.05690	2.5
133.06479	4.8
135.04448	2.5
135.07991	1.5
137.05995	2.6
137.16380	1.4
137.17419	1.7
140.04553	1.6
144.05626	1.5
145.06470	1.8
147.04416	3.0
147.08078	4.0
149.54588	1.3
151.03880	2.7
152.04674	3.7
153.05478	2.1
155.04881	1.7
159.08049	5.2
161.05994	12.8
163.03909	5.1
163.07509	1.6
166.08646	2.1
167.07034	100.0
172.05159	2.2
175.07545	21.2
179.06964	1.5
187.07492	19.4
189.09093	1.5
190.07713	2.0
191.07063	11.1
191.08592	1.9
193.08580	1.3
199.07553	9.2
203.08603	3.9
217.08633	2.2
218.07320	3.6
221.09673	2.4
222.51877	1.4
223.07487	1.9
233.09628	3.0
233.78091	1.3
235.07628	2.9
246.06645	2.4
247.07684	1.6
249.09189	4.2
250.09883	1.4
251.07106	2.6
261.09122	4.3
263.07159	1.8
271.06003	1.7
277.08536	1.9
281.11740	6.2
289.08600	3.5
290.09488	1.8
293.11710	2.6
299.05615	2.3
307.09494	1.8
309.11209	5.7
311.09485	1.2
313.07010	1.4
321.11142	8.9
322.11932	3.3
341.06592	4.7
341.13873	13.8
350.73999	1.5
353.10065	2.0
353.13885	9.5
371.11462	6.0
409.03598	1.4
489.11877	1.7
533.21368	7.2
533.29498	5.6
534.23560	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01588	0.7
53.03939	1.7
54.31980	0.7
55.01876	1.1
57.03422	1.0
57.51318	0.8
67.05489	1.5
68.99789	1.0
69.03423	2.3
69.46256	7.4
70.39051	0.7
71.87253	0.9
78.04710	1.9
79.05495	7.7
81.03417	2.0
81.07041	2.4
85.02903	3.3
85.06528	1.2
86.09689	0.9
87.04427	0.9
91.05472	3.5
93.07037	1.2
95.04979	2.6
95.08593	1.0
97.02885	2.1
98.20795	1.9
103.05478	3.5
104.06225	1.0
105.07031	5.2
106.04179	1.2
107.04946	14.0
109.02865	2.0
109.06517	0.8
109.10136	1.0
115.05447	4.2
117.07015	2.1
118.04152	1.5
119.08584	1.9
121.06510	1.1
122.03644	1.0
123.04417	5.2
124.05207	3.7
125.05988	1.7
127.03896	1.8
128.06194	2.9
129.06981	4.7
131.04919	3.0
132.05733	2.2
133.06467	5.4
133.10266	0.8
135.04387	0.9
137.02313	2.4
137.05995	1.8
145.06502	2.0
147.04405	1.0
147.08057	3.2
149.06006	1.4
151.03911	2.2
151.07513	1.0
151.11189	0.9
152.04660	3.0
153.05464	1.9
155.04848	1.1
155.07021	1.2
159.08043	7.0
160.05177	1.4
161.05988	13.1
163.03944	1.5
167.07027	100.0
168.07504	1.2
169.06467	1.0
171.08058	1.7
172.05171	2.8
175.07529	26.0
176.04637	1.2
177.05437	2.5
178.07753	1.6
184.05205	1.9
187.07526	19.8
189.07024	1.0
189.09163	2.3
189.12671	1.4
190.07832	1.3
191.07036	8.4
191.08611	1.1
193.10181	0.8
199.07481	9.4
202.07913	0.8
203.08592	2.3
205.06509	1.2
206.07321	2.1
207.08002	1.3
209.08003	1.9
215.08513	2.1
217.08600	1.0
218.07288	3.1
219.08139	2.0
221.09534	3.5
231.08133	2.5
232.08754	1.6
233.09488	3.8
234.06680	1.8
235.07510	2.8
247.07616	2.1
247.94933	1.0
248.08440	1.4
249.09084	5.1
250.10008	1.4
251.07097	1.8
251.22168	1.0
259.07523	1.1
260.08298	2.2
261.09116	5.0
263.07184	1.7
267.10114	0.9
275.06906	1.3
276.07724	1.1
277.08594	3.5
278.09390	2.8
281.11688	6.5
289.08493	4.6
290.09357	1.2
291.10220	1.3
293.11639	2.7
295.09875	1.2
303.04874	6.0
306.08768	1.4
307.09515	1.7
309.11124	6.7
310.12045	1.1
315.04953	2.3
321.07935	1.4
321.11209	8.6
322.11923	2.0
323.09210	1.0
325.14429	1.3
326.11591	1.6
327.04901	4.4
341.06647	2.4
341.13788	13.4
353.13831	9.4
355.08334	1.0
369.05981	3.2
411.06955	2.0
458.34344	0.8
533.09406	0.9
533.30933	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.6
55.05510	34.6
57.03415	10.8
65.24641	6.1
67.05502	100.0
69.03417	16.2
69.07069	35.2
71.04977	10.5
71.31465	5.5
71.57816	12.5
78.59161	6.7
79.05484	57.5
81.03386	14.8
81.07048	79.8
83.04971	8.4
83.08605	13.2
85.02886	10.2
85.06543	9.8
90.64252	7.0
91.05473	48.3
93.07034	77.0
95.04970	8.3
95.08611	79.9
97.02875	41.1
97.06490	7.3
97.10141	13.4
101.97210	5.7
105.07030	49.2
107.04937	10.2
107.08589	52.7
109.06505	10.2
109.10164	40.6
110.43687	6.3
113.09630	8.9
117.06963	17.7
119.08596	35.6
121.10114	38.6
123.11683	11.3
131.08533	25.0
133.10161	36.0
135.08000	8.3
135.11685	31.7
139.11136	13.9
140.81668	6.6
143.08543	15.0
145.10098	18.6
147.11664	17.7
149.13228	15.3
157.10089	11.9
159.11688	20.8
161.13242	10.4
163.11151	8.2
163.14851	10.2
172.49876	6.4
173.11734	6.8
173.13177	9.1
182.82541	6.3
185.13271	9.4
189.11230	7.0
191.99150	6.0
197.62144	6.6
203.12714	7.5
228.97299	6.7
229.14198	7.6
241.14229	8.8
241.19531	10.8
259.20572	35.1
277.21619	52.3
322.02777	6.8
351.25253	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01885	1.3
55.05517	1.7
55.14690	1.0
57.03432	2.8
61.02921	1.2
67.05494	2.4
69.03424	8.4
69.07060	1.4
70.06586	2.9
71.05013	1.5
71.57764	2.2
73.02892	1.7
75.76988	1.1
78.04712	2.9
79.05500	11.2
81.03413	4.7
81.07069	3.0
85.02901	17.8
85.06564	1.5
85.08913	4.3
85.29172	0.9
86.09708	1.8
86.70740	1.0
90.01401	1.2
91.05476	5.8
93.07076	1.4
95.04967	3.9
97.02877	6.0
99.04431	2.1
100.11253	100.0
103.05458	3.2
105.07023	8.3
106.04180	2.2
107.04955	20.5
107.08569	2.1
107.33412	1.2
109.02879	1.9
109.06556	1.4
109.10159	1.7
109.72741	1.2
115.05451	6.6
117.03291	1.2
117.07001	1.4
118.04160	1.8
119.04926	2.1
119.08570	2.6
120.63159	1.1
120.64188	1.1
121.06539	2.0
121.10118	2.7
123.04404	7.5
124.05205	4.7
125.06003	2.8
127.03912	3.5
128.06215	3.5
129.07004	5.4
130.04158	1.2
131.04890	6.0
132.05702	4.3
133.06496	9.4
137.05974	1.5
141.06989	2.1
145.06491	2.1
147.04402	3.9
147.08058	4.0
148.04922	1.2
149.06003	7.0
151.03940	1.4
151.11124	2.7
152.04657	3.5
153.05464	2.9
159.08043	4.8
160.05231	2.9
161.06006	9.1
167.07037	97.9
168.07368	1.6
169.06509	3.4
171.08070	1.9
173.05997	1.6
175.03981	2.4
175.07542	36.9
178.07724	1.4
184.05159	2.0
187.07555	14.8
189.07123	1.9
189.09129	1.6
190.07787	2.1
191.07030	10.5
191.08473	1.9
191.14328	3.5
193.08574	15.7
193.10127	2.1
199.07549	10.9
201.09076	3.9
202.07823	2.5
203.08585	5.1
206.07344	1.2
207.07990	3.3
209.15320	3.6
215.08658	2.1
217.08540	1.9
217.69017	1.1
218.07310	4.0
219.07968	3.5
221.09659	4.5
231.08102	3.1
232.08847	2.5
233.09592	5.5
234.06842	1.7
235.07567	4.3
243.08195	1.9
246.06726	2.4
247.07561	3.1
249.09120	3.7
251.07169	1.7
253.82281	1.3
259.07602	1.9
260.08194	2.5
261.09079	10.3
263.06964	3.6
265.08548	1.6
275.06946	1.4
277.08554	2.7
278.09161	2.8
279.10092	1.4
281.11694	5.0
289.08691	5.9
290.09262	1.9
291.06757	1.9
291.10028	2.1
293.11749	4.5
294.08884	1.3
295.09482	1.7
306.08728	3.5
307.09631	4.8
309.11215	6.9
321.11230	14.8
322.11838	3.4
323.09015	1.5
325.14279	1.7
326.11417	2.9
338.11435	3.0
341.13849	14.5
353.13803	21.5
371.14850	2.7
422.68536	1.5
434.22675	4.2
533.30304	1.2
536.27032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.8
55.05515	39.5
57.03428	18.8
64.47572	7.0
67.05227	8.4
67.05510	85.0
69.03433	25.2
69.07072	39.8
71.04993	10.1
71.58276	15.1
79.05499	73.5
81.03420	13.5
81.07063	100.0
83.04967	14.1
83.08616	16.5
85.02895	10.8
85.70880	8.3
91.05470	65.0
91.92686	8.2
93.07033	94.1
95.04951	9.1
95.08149	7.8
95.08620	87.2
97.02895	48.4
97.06522	8.9
97.10151	17.6
105.07038	59.0
107.08614	44.1
109.02846	11.4
109.06512	8.4
109.10167	47.6
111.04460	8.2
117.07039	15.3
119.08549	47.5
121.10140	56.1
122.99128	7.5
125.09695	14.0
127.03914	11.0
131.08554	23.3
133.10112	42.2
135.11684	31.0
137.09651	13.5
139.11150	10.7
143.08636	14.4
145.10097	21.4
147.11674	32.1
149.13263	13.0
157.10033	11.6
159.11682	16.3
161.13287	16.0
164.39818	7.5
171.11754	14.1
175.14796	13.3
183.32135	7.7
185.13255	17.0
189.11253	8.2
203.12767	11.8
229.14375	14.9
241.19560	11.1
259.20663	42.3
266.50906	7.6
277.21588	56.6
351.25284	85.1
407.88306	7.6
467.62122	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.6
67.05486	11.9
69.03413	8.4
69.07064	3.8
69.36375	8.2
69.36785	19.7
70.06574	9.2
72.08152	8.6
74.75449	2.8
76.99536	2.5
79.05491	5.9
81.03379	7.2
81.07066	3.5
82.06569	4.5
85.02907	10.1
86.06069	6.7
86.09720	6.4
91.05477	3.5
93.07032	4.4
95.04973	7.4
95.08614	5.9
97.02875	3.4
105.07037	5.2
107.04954	8.2
107.08571	7.2
107.45801	3.1
109.10158	5.2
114.09193	3.0
121.10136	4.0
122.06011	3.2
124.07583	9.6
127.03918	3.1
128.07095	20.7
133.10104	7.9
135.04416	16.5
137.09619	7.1
138.05472	20.2
138.09132	4.1
140.07088	6.3
145.04994	3.4
152.07040	6.0
154.60594	2.9
190.08659	5.6
191.14398	2.9
208.09995	2.8
211.08766	7.2
212.09380	3.6
213.10286	5.3
224.09306	3.1
225.10228	10.1
226.11078	2.9
227.08128	8.3
227.11707	4.8
229.09785	3.0
237.10207	4.4
239.11862	3.4
241.09706	7.1
242.08180	3.9
242.10620	3.4
253.09776	9.3
254.10609	3.6
255.11224	8.5
265.09723	4.5
267.11310	9.0
268.12167	6.3
269.09500	3.3
269.12857	6.2
281.09210	6.4
283.10934	7.3
293.09253	4.6
295.10767	13.4
297.09003	3.0
297.12317	7.2
299.10260	6.7
301.12115	3.6
309.12387	3.4
311.10254	10.6
313.11942	11.5
314.12717	5.4
315.13419	8.3
321.16302	2.9
323.13776	3.4
324.98300	3.0
329.11215	8.0
332.13934	3.4
335.13705	2.9
337.15204	3.5
339.09406	6.7
341.11383	5.3
342.12317	4.0
343.12888	8.1
350.15015	3.5
364.12949	6.6
365.14859	5.7
371.12814	4.5
373.14133	8.9
375.15326	3.9
378.14279	5.1
379.16513	3.8
383.15924	12.0
389.13828	6.8
406.17767	6.9
407.15756	6.0
411.15488	15.4
424.19238	3.4
434.17126	18.5
435.15524	7.9
436.18475	5.6
443.18384	5.0
444.15622	3.4
452.18231	40.3
454.19681	7.7
456.17636	4.7
462.16702	6.7
470.19260	66.7
479.29163	3.5
480.17627	55.8
494.19302	7.0
498.18726	89.6
502.72421	3.0
512.20239	46.4
530.21252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
53.84409	0.9
55.01855	1.3
67.05486	3.2
68.74920	0.8
70.06581	3.5
70.56944	0.8
71.16948	1.2
71.17276	1.7
73.66296	0.9
79.05492	1.5
80.05004	1.8
81.07032	1.2
85.02884	0.9
91.05479	9.7
93.07037	10.4
94.06541	2.4
95.04956	4.9
95.08598	1.8
100.07657	1.2
107.08554	1.6
108.04477	2.0
108.08068	2.1
109.30650	0.9
110.06020	1.5
111.08082	8.3
117.07029	1.1
119.07265	1.2
120.08083	2.1
121.06495	2.8
122.05991	3.4
124.03938	1.3
124.07557	2.6
132.08051	2.2
134.06000	1.1
134.09636	8.1
135.08076	4.3
136.07576	5.5
137.05957	1.5
138.09209	1.0
140.07007	2.3
145.06548	0.9
146.06007	1.6
147.06795	1.5
148.07539	1.4
152.05812	0.9
152.10672	5.9
154.08693	1.8
162.09140	54.4
163.07520	2.8
164.07048	2.0
168.06549	1.2
172.07619	1.3
174.09079	1.0
175.08638	3.0
178.08672	1.7
180.10185	37.4
189.10242	2.7
190.08638	7.9
199.08757	2.0
200.07086	1.4
203.08159	5.4
207.11317	1.2
208.09674	100.0
213.10268	1.7
215.08125	1.7
215.11801	1.2
217.09773	6.6
225.10167	1.7
226.08578	1.5
227.08118	3.6
229.09706	3.8
231.11191	1.2
235.10797	1.9
237.10175	1.2
239.08354	1.2
239.11699	1.1
241.09668	2.4
243.11234	2.6
245.09229	8.1
246.91487	1.0
247.10806	4.5
253.09608	1.7
256.09518	1.1
257.09344	1.1
257.12848	1.4
263.10257	22.5
267.07394	1.0
267.11288	2.5
269.09174	3.2
271.10733	6.3
273.08624	3.0
284.09213	1.0
287.10220	1.4
289.11761	1.5
291.09750	20.4
295.10596	1.1
297.08569	1.6
299.10181	2.3
311.10120	1.4
313.11728	2.8
315.09808	4.1
317.11411	2.9
323.12354	97.7
324.12506	1.9
327.09552	1.5
331.12888	1.4
343.09262	2.2
347.12393	4.6
349.13815	2.1
359.12366	2.5
371.12289	2.4
373.13922	1.7
375.11826	7.4
377.13428	2.9
387.11758	2.0
391.14972	2.3
416.16092	1.9
434.17142	2.6
452.18317	2.4
462.16599	1.9
480.17761	4.2
494.18845	3.6
498.18732	11.7
512.20093	8.5
530.21429	22.6
530.29468	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.71667	0.7
64.05603	0.7
67.05488	1.8
67.39604	0.8
69.03409	1.2
69.07056	0.9
70.06582	2.9
71.36900	1.6
72.08122	1.0
81.03434	1.1
81.07008	0.8
82.49866	0.7
84.04484	0.7
84.08128	1.2
85.02897	2.3
86.09685	2.9
90.00715	0.9
91.05479	1.9
92.41591	0.7
93.07008	1.2
94.06577	1.3
95.04930	1.0
97.02888	1.0
108.04487	1.5
109.06533	0.8
110.06045	1.9
113.94305	0.7
118.06555	1.0
120.08089	0.7
122.05976	1.5
124.03928	1.1
127.03925	1.1
128.07053	1.2
135.04495	1.0
138.05469	5.4
140.07068	2.1
146.04953	1.4
146.06001	13.4
148.07547	1.2
162.05515	1.7
162.09187	2.1
163.05856	1.2
164.03371	0.9
164.07080	0.9
166.05017	5.1
174.05556	3.5
180.10216	1.8
181.08615	1.1
182.09808	0.7
190.05023	1.1
190.08679	1.1
191.05336	1.1
191.08360	0.9
192.06544	1.2
194.09665	1.1
196.07513	1.1
201.12407	0.8
206.08107	3.0
207.06737	0.9
208.09688	6.3
209.10748	1.2
210.09161	1.5
211.08665	1.8
213.10246	1.0
219.09314	1.8
222.07599	1.3
223.08684	5.0
224.07126	1.0
224.09332	1.9
225.10266	2.2
235.08693	1.1
236.09323	1.1
237.10207	33.1
238.08765	1.0
238.10963	1.7
239.08115	4.1
239.11772	4.0
241.09634	2.0
247.08635	2.3
248.09328	2.0
249.10210	1.4
250.08615	2.7
251.08138	5.8
252.08762	1.9
253.09680	4.5
254.08124	0.9
254.10583	1.1
255.11240	1.3
265.09705	43.3
266.07916	1.2
266.10458	4.0
267.07657	3.1
267.11285	9.8
268.09900	1.2
269.09177	1.8
279.07645	1.1
281.09262	6.4
283.10690	2.7
291.09595	1.2
293.09177	30.2
294.09933	2.1
295.10767	12.8
296.09158	1.1
297.08783	1.5
297.12143	0.8
299.10382	3.7
311.10242	35.1
312.10886	3.5
313.11761	8.8
313.93518	0.8
321.08682	13.4
323.12436	3.3
325.11789	1.3
339.09735	66.0
340.10797	1.9
347.12219	1.1
353.11301	10.3
357.10699	2.0
371.12354	100.0
372.12991	2.3
375.11713	2.1
434.17090	0.9
452.18246	5.9
462.16122	0.9
480.17670	33.6
481.17545	1.3
494.18927	1.2
498.18311	5.1
512.19940	3.4
530.20544	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01862	1.7
64.68663	0.9
67.05478	2.5
67.63260	1.0
69.03416	1.2
69.07071	1.0
70.04847	4.4
70.06596	5.3
72.08126	1.2
79.05496	2.0
80.05018	1.0
81.07024	1.1
82.06603	1.4
86.09719	2.2
91.05465	10.9
93.05785	0.9
93.07040	11.7
94.06552	1.9
95.04958	6.9
95.08615	1.4
96.04485	1.1
97.02878	1.1
97.06506	1.0
98.21479	1.0
100.07617	1.6
106.06543	1.0
107.08623	1.1
108.04453	2.3
108.08099	1.3
109.06531	1.1
110.06054	1.5
111.08082	7.5
112.07572	1.0
115.05444	1.3
120.08134	1.6
121.06490	2.1
122.06016	3.1
124.07566	1.6
132.08043	1.3
134.06030	1.3
134.09651	6.5
135.08054	3.0
136.07571	7.3
137.06007	1.1
138.05502	1.2
138.09163	1.2
140.07098	1.8
147.06886	1.2
150.05490	1.2
150.09140	1.5
152.07118	1.2
152.10730	5.2
154.08618	2.7
160.07512	2.1
162.05511	1.2
162.09140	40.7
163.07564	1.6
168.06549	1.3
172.07597	1.5
174.09109	2.4
175.08650	2.8
176.07076	1.3
178.08681	1.3
180.10185	33.0
180.11731	2.0
189.10245	2.4
190.08633	6.9
199.08611	1.9
200.09157	1.1
201.10130	1.1
203.08179	3.9
208.09676	100.0
213.10135	1.9
215.08214	1.7
217.09772	6.3
225.10301	1.5
227.08159	2.5
229.09662	2.7
229.15544	3.2
235.10770	2.3
239.08162	1.5
241.09683	3.1
243.11269	2.2
245.09207	7.6
247.10652	5.0
253.09662	1.3
259.10825	1.1
261.12433	1.1
263.10229	15.6
265.09613	1.1
267.11340	1.4
269.09219	2.2
271.10764	3.5
273.08752	1.6
285.12167	1.1
287.10092	1.7
289.11438	1.1
291.09720	18.2
293.09351	1.2
297.08685	1.9
299.10309	1.7
311.10193	1.6
313.11713	2.9
315.09692	2.8
317.11292	2.8
323.12354	87.3
324.12515	1.4
331.12878	1.2
339.09802	1.5
343.09033	1.5
347.12531	1.7
349.13770	2.1
371.12244	2.5
373.14084	1.6
375.11874	6.9
377.13370	3.9
387.11758	1.6
391.15283	2.4
434.17194	2.9
452.17990	1.9
462.16486	1.6
480.17490	4.8
494.19205	3.9
498.18820	11.2
512.20245	7.9
530.21399	16.1
530.28564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02413	0.9
51.78178	0.9
67.05479	2.0
69.07022	1.5
69.52869	7.1
70.06572	2.8
72.08140	2.4
84.04414	0.8
85.02927	1.1
86.09691	3.5
95.04979	1.0
98.21426	1.3
122.05961	1.3
125.36901	0.8
138.05467	6.4
140.07060	1.0
140.68867	0.9
146.05998	19.6
166.04970	6.9
170.15569	0.9
174.05496	6.5
192.06589	1.4
206.08122	6.1
208.09695	1.1
219.09082	1.7
223.08690	2.1
224.09435	1.7
225.10208	2.2
227.08095	1.0
235.08669	1.5
236.09325	1.4
237.10201	28.2
238.08690	1.8
238.10835	1.9
239.08183	3.6
239.11739	3.4
241.09726	1.2
247.08557	2.1
248.09476	1.6
249.10156	1.4
250.08604	2.8
251.08241	4.4
252.08849	2.4
253.09717	4.0
254.10492	1.1
255.11272	3.3
265.09717	35.1
266.07968	1.4
266.10449	2.1
267.07770	2.7
267.11261	9.5
279.07623	1.5
281.09201	5.3
283.10675	2.4
293.09192	29.0
294.09982	2.5
295.10788	10.5
297.08783	1.5
298.09683	1.1
299.10165	3.4
311.10248	35.5
312.11072	1.9
313.11795	12.6
321.08618	12.0
323.12329	2.4
325.11859	1.7
339.09747	45.9
340.10526	1.9
353.11322	10.6
357.10843	1.2
371.12354	100.0
372.11185	3.2
389.13217	1.1
434.17023	1.6
452.18030	4.1
462.16489	1.1
480.17581	26.5
512.20056	4.0
546.99512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01857	3.1
60.96002	1.4
67.05495	8.3
69.03431	3.2
69.07070	7.9
70.06592	3.5
70.16308	1.4
71.58186	2.2
79.05476	1.8
79.96018	1.5
81.07062	3.4
83.05014	2.1
84.08141	1.5
85.02882	5.7
86.06083	1.5
86.09718	3.0
86.92062	1.6
91.05417	2.4
93.07032	2.0
94.06537	2.0
95.04959	5.0
95.08648	2.4
96.08121	1.8
107.04964	2.7
107.08597	2.2
108.08138	1.6
110.06024	2.0
111.04414	1.7
122.06097	3.0
124.07625	8.3
127.03875	2.5
130.06561	1.7
135.04439	2.8
138.05511	24.2
140.07059	8.5
146.06003	6.0
152.07031	2.8
156.06474	1.9
162.09222	2.6
166.04993	4.6
168.06683	1.8
174.05547	2.0
174.09149	1.6
177.16504	1.6
180.10214	3.0
190.08635	6.5
191.08112	7.7
192.08446	5.0
197.07155	1.9
199.08653	4.7
206.08144	2.5
208.09689	4.4
211.08678	5.5
212.09398	2.1
213.10240	6.6
215.08133	2.5
225.10126	10.4
226.10915	3.3
227.08127	5.9
227.11801	2.6
229.09772	2.9
237.10371	3.8
239.08073	3.6
239.11769	3.7
241.09747	6.5
243.11380	1.9
253.09697	13.1
255.07597	1.9
255.11372	6.1
265.09650	5.4
266.08084	2.8
267.11246	7.4
268.08575	3.8
269.09216	5.3
269.12839	2.7
271.10895	2.4
281.09076	7.9
283.10687	7.6
287.68433	1.8
293.09210	3.8
295.10797	10.5
297.12238	3.4
298.10721	2.0
299.10233	9.4
306.12482	2.2
308.13388	3.1
311.10278	16.7
312.08527	3.3
313.11795	14.2
315.13229	2.8
318.12161	1.9
323.12570	4.3
327.09509	3.4
329.11343	2.9
332.14099	3.6
339.09799	5.5
340.07822	3.2
341.11279	7.1
342.09293	2.7
343.12851	8.5
346.11902	2.2
350.14651	3.8
351.13788	3.6
355.12677	2.1
357.10699	5.1
359.12332	11.1
360.13489	2.8
361.14972	1.9
362.14999	2.0
364.12717	9.0
364.16797	2.3
371.12341	2.8
372.10614	2.9
373.13959	16.6
374.14163	4.9
375.15634	3.9
378.14398	5.7
378.18475	3.7
379.15448	2.2
380.15842	2.0
389.13678	5.1
392.16116	3.4
406.18018	9.7
411.15402	2.9
416.16190	3.5
422.16949	2.1
424.14413	2.3
434.17255	11.3
436.18661	5.5
438.16473	3.4
452.18182	39.4
462.16708	7.6
463.14969	3.2
470.18866	5.5
480.17682	100.0
481.16971	5.0
494.19260	9.4
498.18744	25.0
512.20276	50.8
512.65692	2.0
513.19159	19.7
530.20966	5.9
531.98816	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65775	1.7
53.03942	4.6
55.01876	2.0
55.05510	20.6
57.03427	6.0
57.07076	3.9
59.42566	1.8
60.85047	2.0
65.03933	3.8
67.05503	85.6
69.07066	29.1
69.35529	20.3
71.04987	4.5
71.54415	1.7
79.05489	62.5
81.03409	2.9
81.07055	80.9
83.04996	2.8
83.08603	14.0
85.06553	3.9
91.05483	40.7
93.07040	77.6
93.07631	4.5
95.04992	10.2
95.08605	50.2
97.06551	10.0
97.10178	3.4
99.08069	3.2
105.07030	29.8
107.08592	41.5
109.06483	4.8
109.10140	13.3
111.08076	6.6
117.07009	16.3
119.08566	22.3
121.10139	31.4
123.11710	5.9
125.09584	2.2
129.06993	7.0
131.08575	27.8
133.10146	18.9
135.11673	19.8
143.08565	8.1
145.10110	16.0
147.11636	9.8
149.13240	23.7
155.08603	3.7
157.10110	6.8
159.11676	20.0
161.13268	4.2
161.25130	1.9
169.10120	4.4
171.11711	7.4
173.13292	10.2
175.14803	2.5
177.12810	3.6
183.11745	3.0
185.13243	2.8
195.11839	2.4
195.13843	7.5
197.13242	3.1
199.14874	2.4
201.16464	2.0
204.16019	2.0
216.09593	2.4
225.16399	2.9
256.26306	17.0
260.53299	2.2
261.22162	4.9
265.73334	2.1
292.28900	2.0
301.09113	2.3
351.64862	1.8
398.29367	2.0
419.32846	3.1
437.34131	10.2
455.34866	3.3
473.36566	3.2
511.38229	4.3
529.38855	100.0
530.39307	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.05515	18.8
57.03430	7.5
63.78281	3.7
64.25963	3.9
67.05506	67.9
69.07077	27.0
70.84772	10.7
74.28412	3.6
79.05493	42.6
81.03411	11.0
81.07059	58.2
83.08617	10.2
91.05483	27.1
93.07046	50.4
95.04992	8.0
95.08046	5.5
95.08605	38.9
97.06517	4.5
105.07040	24.3
107.08604	24.0
109.10149	13.1
111.08090	5.1
117.07036	11.9
119.08586	18.7
121.10146	24.2
129.07024	5.1
131.08563	17.4
133.10149	12.1
134.29135	4.0
135.11708	14.9
139.11127	4.0
143.08571	6.0
145.10141	12.7
147.11662	4.8
149.13248	15.3
157.10167	5.2
159.11693	14.6
159.98508	3.6
161.13335	5.2
171.11789	5.4
173.13254	7.0
178.51186	4.8
195.13727	4.4
242.31100	4.1
367.32068	6.8
437.34161	7.3
455.35452	4.4
529.38910	100.0
530.38611	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.5
55.01864	13.8
55.05500	23.5
67.05486	36.2
69.03427	17.1
69.07059	23.0
69.80263	42.9
73.02906	7.5
79.05480	28.4
81.07057	40.8
83.04976	15.7
83.08604	9.1
84.07457	7.7
90.98610	7.5
91.05458	25.6
93.07024	33.6
95.04951	18.9
95.08585	29.2
97.02861	11.7
97.06526	8.4
103.05368	8.5
105.07025	32.9
107.04936	14.9
107.08605	27.2
109.06517	12.5
109.10185	12.9
116.65228	8.0
117.07001	13.9
119.08555	27.5
121.06551	9.2
131.08577	26.2
133.10114	28.9
135.11668	13.6
145.10149	13.2
147.11687	21.8
149.09630	11.2
149.13345	11.0
159.11700	16.0
163.07492	9.0
183.73784	7.6
209.96779	10.1
210.22032	7.5
211.09969	8.7
239.17793	7.5
275.20071	100.0
284.12888	14.4
293.21039	17.9
349.23654	98.9
365.15549	20.3
367.24585	22.2
460.72723	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50381	4.7
53.03939	6.8
55.01871	11.7
55.05508	19.6
57.03443	27.3
67.05505	59.3
69.03416	20.8
69.07066	70.0
70.06594	33.4
70.75919	15.7
71.04996	89.8
72.08134	5.0
73.06565	10.1
79.05492	57.4
81.03422	10.3
81.07053	83.2
83.04984	18.8
83.08629	10.5
85.02908	32.8
85.06553	41.1
86.09709	11.1
91.05035	5.5
91.05492	52.7
93.07039	76.9
95.04961	17.7
95.08604	65.7
97.02897	10.9
97.06541	51.7
99.04449	5.4
99.08092	14.4
101.06007	11.5
105.07038	50.1
107.04974	6.2
107.08584	55.5
109.02911	8.9
109.06519	8.4
109.10148	21.8
111.08060	26.2
113.05970	8.8
115.07594	44.0
117.07010	20.7
119.08607	41.9
121.10134	36.5
123.11696	7.1
125.09624	10.6
127.03904	8.4
127.08707	6.3
129.07021	8.4
129.09122	15.4
131.08582	33.9
133.10130	48.3
135.11671	23.1
136.07562	7.1
136.65163	4.9
137.05956	9.8
137.09654	5.8
140.07063	11.8
141.09100	9.6
143.08621	11.5
145.10103	31.2
147.04414	9.7
147.09134	7.5
147.11681	22.3
149.13274	28.4
151.11156	10.4
155.10681	7.0
157.10052	11.9
159.11690	19.5
161.01201	5.7
161.13269	17.5
162.09200	10.1
163.03908	8.1
163.14822	5.7
165.15033	5.4
167.07095	6.2
171.11684	11.1
173.13272	17.0
178.49197	5.6
178.90451	4.6
178.96623	4.8
180.10204	10.8
185.13286	14.1
187.14830	19.9
189.16347	8.3
191.14426	7.6
199.14833	5.5
199.16849	6.2
201.16345	10.0
203.14288	4.8
208.09613	25.0
209.15390	6.5
213.16614	5.5
215.17943	12.5
241.19516	18.2
251.06934	4.3
259.20605	16.1
277.21661	41.4
281.14981	6.6
295.22668	78.9
313.23737	100.0
323.12396	15.1
331.24753	47.6
349.25845	48.1
367.26846	35.3
462.72098	5.1
529.18231	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30902	3.7
53.03936	7.1
55.01876	22.8
55.05287	3.8
55.05511	33.7
57.03439	22.2
61.02927	54.5
67.05169	6.2
67.05503	61.7
69.03442	24.6
69.07069	34.8
69.68970	20.5
71.04981	8.4
73.02914	22.9
79.05064	4.4
79.05489	50.5
81.03427	22.6
81.07055	91.3
83.04958	13.5
83.08613	22.3
85.02914	40.8
85.06541	5.1
87.04474	4.1
91.03962	28.3
91.05473	57.0
93.07039	57.0
95.01283	3.3
95.04968	18.8
95.08604	36.4
97.02889	31.4
97.06536	38.9
97.09613	3.5
97.10156	20.5
98.21479	7.8
99.04451	5.8
101.02374	5.9
103.03934	8.3
105.07022	50.8
107.04955	29.3
107.08600	44.9
109.02878	15.4
109.06524	21.0
109.10155	24.7
111.08101	4.4
117.07002	15.7
119.08588	32.7
121.06495	10.1
121.10150	18.4
123.08096	6.6
123.11696	10.3
125.09617	17.8
127.03916	14.5
129.06993	7.9
131.08569	25.0
133.10121	29.5
135.08017	5.6
135.11678	14.0
137.09592	8.0
145.10115	23.1
147.11705	29.5
149.09608	35.0
149.13234	7.0
151.11208	5.5
155.08528	4.5
157.10127	9.3
159.11656	15.5
161.09630	4.1
161.13254	7.4
163.11205	13.8
169.10123	6.7
171.10152	11.2
171.11662	9.6
173.13228	11.1
177.12788	8.9
179.14319	3.9
183.11708	4.8
185.12933	3.7
187.11139	5.6
189.11269	22.4
195.13788	4.9
201.12762	4.5
205.12283	4.2
227.12737	13.7
229.19588	3.9
239.18025	5.3
245.13803	14.1
247.20569	4.8
253.17882	7.4
257.18979	13.4
275.20062	100.0
292.77176	4.5
293.21066	13.2
299.20032	4.5
331.15891	4.5
349.16824	7.7
349.23718	39.2
367.24786	48.1
437.25195	4.6
511.29294	5.3
529.30511	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.3
53.99104	5.0
55.01876	44.7
55.05505	57.3
57.03434	30.0
61.02926	56.4
67.05501	77.9
69.03416	30.1
69.07066	50.3
70.83273	16.3
71.04982	10.5
73.02919	23.4
79.05488	79.7
81.03413	31.7
81.07041	85.7
83.04982	16.1
83.08615	22.8
85.02900	69.4
87.04504	6.9
91.03971	26.0
91.05468	67.6
93.07040	68.0
95.04964	24.8
95.08589	36.3
97.02895	39.0
97.06535	73.0
97.10171	37.9
99.04446	10.4
103.03967	5.8
105.07036	66.0
107.04948	30.2
107.08587	72.8
109.02853	13.6
109.06538	12.3
109.10131	32.1
111.08088	11.1
112.08402	5.7
117.07029	20.8
119.08583	40.8
121.06519	11.3
121.10124	27.3
123.08090	9.4
123.11694	10.0
125.09618	39.3
127.03913	13.0
129.07018	12.1
130.06522	5.7
131.08592	22.8
133.10112	42.3
135.08006	11.3
135.11681	13.8
137.09615	7.7
141.07004	6.7
143.08551	7.5
145.10115	33.6
147.11700	19.9
149.09599	43.2
151.11143	5.9
155.08577	6.6
157.10170	8.2
159.11697	20.6
161.13232	7.9
163.11235	22.0
169.10139	7.0
171.10176	22.1
173.11800	11.3
173.13210	12.5
175.11227	6.4
175.15077	6.1
179.14349	10.7
180.51323	6.5
183.11473	6.6
189.11212	43.9
217.87386	6.2
227.12729	29.2
229.14381	10.7
234.17886	5.8
239.18039	6.1
245.13867	17.2
253.18021	9.3
257.19037	19.1
275.20029	100.0
298.60965	6.0
328.87924	5.8
337.14722	5.8
349.23691	98.4
367.24750	41.3
377.56369	7.0
391.24478	8.5
406.86334	6.5
418.91324	5.4
462.63123	7.2
523.54211	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.4
55.01875	43.9
55.05507	48.1
57.03433	32.6
61.02924	58.2
61.60104	6.2
65.03947	7.9
67.05505	88.4
69.03429	34.7
69.07072	76.1
69.96076	25.0
71.04994	14.4
73.02893	31.3
79.05486	78.6
81.03410	34.7
81.07058	93.1
83.04978	20.3
83.08614	19.8
83.24550	6.6
84.08156	34.1
85.02901	48.4
85.06507	7.6
91.03942	21.5
91.05490	68.4
93.07033	62.6
95.04967	28.3
95.08605	56.9
97.02892	40.8
97.06524	92.9
97.10157	30.4
98.20897	6.6
99.04469	11.2
103.03909	6.7
105.07026	70.9
107.04935	29.3
107.08594	57.1
109.02869	12.7
109.06497	23.7
109.10151	28.3
115.05471	6.1
117.07008	15.9
119.08579	51.2
121.06451	14.0
121.10139	31.4
123.08040	9.1
123.11687	13.7
125.09624	26.2
127.03923	21.2
128.06204	5.3
129.06996	12.7
131.08568	23.2
133.06450	8.0
133.10120	32.5
135.08086	8.2
135.11684	14.4
143.08577	10.8
145.10136	19.6
147.08061	8.6
147.11670	30.9
149.09648	45.9
149.13338	8.6
156.43744	6.4
157.10153	12.7
159.11667	20.5
161.09659	7.9
161.13278	7.2
163.11185	27.1
165.12833	7.4
171.10176	14.7
171.11589	7.7
173.13222	12.2
175.72746	5.8
179.14412	7.8
185.13245	7.8
189.11234	23.6
227.12814	20.8
239.17741	7.7
245.13884	13.5
253.18054	19.1
257.18924	15.4
269.11813	7.6
275.20035	100.0
285.17188	9.1
291.14099	6.0
337.14407	11.4
349.23682	98.0
367.24847	43.3
457.01559	6.9
529.39783	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22335	25.3
50.39078	23.7
55.01875	34.2
55.05505	42.7
62.68417	24.0
67.05502	67.0
69.07042	46.2
70.48675	51.3
79.05489	70.1
81.07036	83.1
85.02908	66.8
86.09717	41.1
88.74149	24.9
91.05486	100.0
93.07035	92.9
95.04951	48.0
95.08600	51.2
97.02869	32.5
97.06555	41.8
97.10185	39.4
105.07016	52.4
107.04953	39.5
107.08561	46.6
109.10122	47.8
117.07019	42.4
119.08633	67.3
131.08565	34.0
133.10092	54.2
145.10130	58.3
219.17603	36.8
275.20032	36.7
291.06549	27.3
293.21185	81.3
349.23431	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89961	2.5
65.24145	3.1
66.73508	3.1
67.12765	2.4
71.57561	4.8
82.85431	2.6
85.02886	3.1
118.06532	18.0
127.11190	11.4
130.06459	3.3
132.08078	5.7
139.66217	2.6
143.07329	2.5
144.08096	12.3
145.12244	5.8
146.06006	64.9
146.07097	4.8
159.09172	4.4
163.03883	2.5
188.07066	100.0
201.56371	3.2
205.09712	38.3
322.15921	2.8
497.77100	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03504	20.0
55.05507	55.6
61.02921	24.9
65.43796	24.8
67.05492	66.6
69.03423	37.4
69.07054	36.8
71.58662	41.8
79.05480	71.1
81.03436	37.3
81.07079	100.0
81.89278	19.1
85.02892	28.4
91.05477	80.8
93.07039	69.4
95.04954	46.9
95.08599	54.8
97.06527	38.7
103.84409	19.4
105.07005	96.2
107.04941	40.1
107.08613	40.5
109.10141	32.8
115.70734	20.1
119.08560	44.3
121.10170	31.2
131.08578	33.0
133.10130	40.1
139.52142	19.6
145.20158	23.6
148.12015	19.8
159.11664	30.5
179.43858	22.5
231.61339	19.9
239.17981	24.8
241.38727	20.2
275.19977	81.4
293.21140	42.8
349.23581	86.5
365.15451	31.8
367.17627	23.3
367.24741	28.8
369.06897	25.1
378.28201	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.67744	0.3
55.01869	1.3
55.05512	0.7
56.96552	0.5
57.03439	0.6
58.87772	0.3
61.02914	1.0
66.76985	0.3
67.05495	1.4
68.99799	0.7
69.03423	1.6
69.07053	0.6
70.15720	1.5
71.04975	0.5
72.53884	0.3
75.24430	0.3
79.05486	4.1
81.03403	1.0
81.07036	1.4
83.04959	0.5
83.08575	0.4
85.02910	2.8
85.06518	0.3
86.09664	0.3
87.00828	0.7
91.05479	3.4
93.07030	1.0
95.04959	1.6
95.08598	1.2
97.02914	0.8
97.06525	0.5
97.10175	0.3
98.97569	0.4
103.03970	0.7
103.05467	4.6
105.04548	0.5
105.07028	10.9
107.04958	0.6
107.08586	1.1
109.02869	0.4
109.06504	0.7
109.10157	0.8
115.05471	0.8
117.07023	1.0
119.04924	0.5
119.08564	0.8
120.05757	0.5
120.65532	0.3
121.06525	0.8
121.10133	0.6
123.04413	1.1
123.08016	0.6
125.09534	0.3
128.06198	0.7
129.01880	0.5
129.07042	1.5
131.04944	1.7
131.08565	1.2
133.06482	3.1
133.10088	0.9
135.04385	0.9
135.08032	1.2
137.05965	0.6
141.06877	0.4
143.08540	0.5
145.06487	1.3
145.10110	0.6
146.07225	0.7
147.04419	1.9
147.08066	0.4
147.11682	0.8
148.05124	0.5
149.05966	4.6
149.09644	0.4
151.07556	2.6
153.06963	0.4
155.08499	0.4
157.06453	0.3
158.07262	0.5
159.04428	0.5
159.08020	0.8
159.11694	0.5
160.05209	0.5
161.04694	0.4
161.06001	2.2
161.09586	0.7
163.07536	100.0
164.07841	1.6
165.09123	1.1
169.06395	0.3
171.08144	0.5
173.05943	2.2
174.06721	1.1
175.07573	2.2
177.09061	1.5
181.08630	3.8
185.05981	0.5
187.07535	1.3
189.05522	0.6
189.09094	10.9
200.05244	0.5
201.05498	0.4
201.09119	0.6
203.07013	0.8
205.08617	1.3
207.10110	0.7
211.07477	0.4
211.11223	0.4
215.06989	1.4
231.06586	0.4
231.10118	0.5
234.04668	1.1
239.07040	0.4
243.05194	0.7
255.05365	0.4
257.08002	0.5
263.23315	0.4
291.10257	0.3
295.09494	0.3
299.12823	0.7
309.11011	0.5
311.12833	0.9
323.09268	0.6
323.12778	6.7
353.13358	0.3
365.13873	3.6
389.13684	1.1
399.09698	0.5
407.15082	2.4
425.15964	0.5
453.05865	0.8
511.15659	1.5
518.20099	0.3
529.17041	1.3
550.14923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24017	0.2
53.03930	0.9
55.01858	0.9
61.02911	0.4
65.03926	0.4
66.85548	0.3
67.05494	0.5
68.99772	0.6
69.03404	1.0
71.46615	0.3
71.46949	0.3
79.05481	2.8
81.03400	0.5
81.07049	0.7
84.08147	0.4
85.02906	1.4
91.05471	2.9
93.07035	0.5
95.04958	1.8
95.08584	0.6
95.42777	0.2
97.02880	0.4
103.03921	0.5
103.05459	4.9
105.04489	0.3
105.07026	10.2
107.04932	0.4
107.08603	0.5
109.02885	0.4
109.06500	0.5
109.10130	0.5
111.04458	0.3
115.05419	0.9
117.07006	0.8
119.04938	0.3
119.08552	0.5
120.05710	0.5
121.06495	0.8
123.04382	0.5
123.08044	0.7
127.03933	0.3
128.06212	0.5
129.01767	0.4
129.06976	0.8
131.04926	1.8
131.08522	0.3
133.06476	1.7
133.10118	0.3
135.04404	0.9
135.08032	1.2
137.05992	0.4
141.07127	0.3
144.05659	0.4
145.06488	1.0
147.03368	0.2
147.04401	1.8
147.11511	0.3
148.05182	0.7
149.05981	2.1
151.07529	2.8
157.06487	0.3
158.07259	0.3
159.08031	0.6
161.05980	1.7
161.09604	0.4
163.07524	100.0
164.07845	1.6
165.09050	0.9
167.07025	0.3
173.05992	1.6
174.06837	0.3
175.07512	0.9
177.09073	1.0
181.08617	1.9
185.06053	0.7
187.07428	1.2
188.08453	0.3
189.05437	0.6
189.09087	9.2
215.07007	1.2
231.06439	0.4
239.06998	0.5
245.07904	0.3
245.99731	0.3
249.07344	0.3
257.08023	0.7
323.09451	0.2
323.12750	5.6
365.13840	2.3
369.11679	0.4
389.13824	1.0
407.14850	0.9
443.16922	0.5
485.18518	0.3
493.15073	0.5
511.15976	0.7
529.17059	0.9
529.25208	1.0
551.73315	0.3
557.01642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01870	0.9
57.03429	0.3
61.02916	0.3
62.08198	0.2
68.99773	0.7
69.03410	0.3
69.47439	0.4
69.47845	1.1
71.04971	0.3
73.02907	0.2
74.47839	0.2
77.03902	0.2
79.05062	0.2
79.05491	3.2
81.03408	0.5
85.02891	0.9
85.03388	0.2
87.00809	0.4
91.04966	0.3
91.05475	2.2
93.07021	0.5
95.04979	1.3
99.60088	0.2
103.03941	0.5
103.05463	4.9
105.03381	0.2
105.04520	0.2
105.07026	10.5
106.07334	0.2
106.34601	0.2
107.04935	0.5
107.08601	0.4
109.06511	0.4
110.40615	0.2
115.05453	1.2
116.06256	0.2
117.07027	0.7
119.04938	0.4
120.05722	0.9
121.06520	0.5
123.04385	0.2
123.08032	0.4
128.06216	0.4
129.06985	0.6
131.04944	1.9
131.08539	0.3
133.06490	2.0
135.04390	0.8
135.08054	0.8
137.02264	0.2
137.05913	0.3
141.06969	0.4
144.05655	0.3
145.06509	0.9
147.04422	1.6
148.05196	0.9
149.05977	2.0
151.06416	0.3
151.07530	3.0
153.06898	0.2
153.49428	0.2
155.08527	0.2
157.06439	0.4
158.07281	0.2
159.08105	0.4
161.05974	1.5
161.09627	0.3
163.07529	100.0
164.07880	2.0
165.09142	0.9
171.08069	0.2
173.06010	1.6
174.06752	0.5
175.07541	1.1
177.09070	0.6
181.08600	1.7
185.05991	0.7
187.07544	0.8
189.03864	0.2
189.05424	0.5
189.09090	7.4
190.09468	0.3
191.07028	0.2
201.08968	0.2
203.06967	0.3
205.08562	0.6
211.07501	0.2
213.05597	0.2
215.06978	1.1
223.09740	0.2
227.07065	0.2
231.06450	0.4
239.07085	0.5
249.07600	0.3
257.08112	0.9
297.11200	0.3
299.12637	0.3
309.11261	0.2
311.12756	0.4
315.12332	0.2
323.12732	5.1
324.13351	0.2
335.12820	0.3
341.13794	0.2
353.13760	0.2
365.13818	1.9
366.09943	0.2
379.10626	0.2
389.13733	0.9
391.40460	0.2
407.14780	1.0
425.16040	0.2
511.15958	0.6
529.16901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	17.6
55.01860	18.1
55.05508	35.0
56.96568	5.9
57.03434	47.5
61.02918	36.1
66.23196	4.6
67.05169	9.5
67.05500	99.9
69.03071	7.9
69.03427	76.4
69.07071	48.8
71.04990	29.1
71.25661	10.7
73.02919	17.7
79.05493	75.5
81.03411	60.1
81.07052	100.0
83.04955	27.2
83.08610	24.3
85.02895	70.8
85.06529	24.6
87.00823	10.2
91.03926	11.9
91.05480	63.8
93.07040	79.0
95.04987	43.4
95.08599	83.5
97.02890	60.1
97.06531	55.9
97.10150	13.7
99.04444	22.6
99.08097	27.6
105.01856	6.7
105.03416	7.0
105.07028	57.2
107.04934	24.5
107.08595	63.6
109.02874	30.5
109.06519	31.2
109.10155	49.2
111.04450	11.9
111.08094	9.2
113.06013	6.5
115.07523	7.4
117.07012	25.2
119.08574	52.2
121.06506	17.1
121.10137	46.3
123.04436	6.9
123.08083	20.1
123.11736	15.2
125.05984	6.7
125.09664	18.6
127.03896	53.1
127.07536	11.3
128.06210	8.0
129.05467	8.0
129.07024	23.2
131.08583	39.0
133.06485	9.1
133.10152	33.6
135.08037	29.5
135.11691	21.2
137.06036	7.0
137.09598	17.6
142.07727	5.9
143.08582	23.7
145.04953	13.0
145.06471	9.9
145.10115	38.0
147.08060	18.1
147.11681	22.3
149.09608	21.6
149.13246	6.7
150.25861	5.7
151.07541	14.8
151.11142	8.0
157.10126	16.9
159.02841	6.4
159.08090	13.0
159.11697	19.5
161.05978	7.9
161.09651	21.1
161.13243	10.6
163.07625	7.6
163.11197	14.6
163.14748	7.4
165.06895	5.9
165.09174	9.0
165.12769	7.5
167.19519	5.8
171.08086	6.5
171.11723	12.8
173.09633	11.7
173.13222	11.1
175.11186	15.1
177.12738	7.8
181.10310	5.6
183.11667	6.6
185.09610	6.1
187.11211	6.2
187.14729	7.5
195.11728	8.5
203.10677	6.0
208.09706	14.5
217.15994	9.3
221.15283	8.7
227.17677	6.7
243.20920	6.1
245.18770	7.5
255.17361	9.8
261.22162	10.7
273.18469	49.9
275.19958	7.8
279.19598	7.7
279.23120	20.1
291.19589	29.2
347.22098	16.4
365.23236	71.9
483.25879	9.5
527.24310	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77905	2.1
55.01875	4.7
55.05532	2.0
58.25306	1.9
67.05513	3.6
68.05025	3.3
69.07069	4.3
69.35590	21.9
70.06589	3.1
72.08140	3.3
74.06071	3.3
79.05489	4.2
81.07059	6.9
85.02914	2.9
86.09716	3.9
91.05459	5.8
93.07020	5.1
94.06572	3.1
94.79554	2.3
95.04986	2.2
95.08598	3.8
96.08118	3.5
98.20788	5.2
105.07052	2.5
107.08614	2.9
108.08153	3.5
109.10169	2.3
110.06052	5.1
117.07034	2.4
118.06519	2.3
121.10170	3.8
122.06017	2.3
122.12791	2.1
123.08008	2.6
124.07591	49.0
125.08393	4.6
126.09153	42.0
126.10015	3.3
129.21542	2.6
135.60985	2.6
137.05927	2.2
140.07089	3.8
140.98761	2.1
144.08096	2.7
145.07649	4.8
146.06003	3.3
150.09076	3.4
152.07162	2.9
157.07648	3.1
158.08388	6.5
164.10677	15.4
171.05501	2.8
171.09218	7.2
173.07117	6.1
173.10800	2.5
174.07811	2.1
174.09167	5.3
184.07619	4.0
185.07120	8.3
186.07802	4.2
189.06564	2.6
192.10187	30.7
199.08687	18.0
200.09340	4.6
201.06563	16.9
201.10312	6.1
203.08107	3.4
211.08710	3.6
212.07072	3.1
213.06595	5.3
213.10229	6.3
215.04666	4.3
215.08159	6.3
217.09746	7.6
227.08130	14.6
228.08900	2.6
229.06075	4.7
229.09819	10.2
230.06822	3.2
231.07642	8.1
231.11244	7.2
239.08072	5.2
241.06081	4.7
241.09683	11.4
242.10176	2.2
243.07619	5.3
245.09088	14.6
245.11462	2.4
245.18877	2.2
255.07611	16.1
256.08350	10.5
257.05661	10.4
257.09198	100.0
258.09781	2.6
259.07245	4.6
259.10638	3.9
263.12540	2.4
267.07608	2.6
269.09198	11.7
271.07196	4.7
272.08057	3.0
273.08734	31.2
274.09552	5.5
283.07162	33.2
283.10153	3.1
284.07813	6.1
285.08673	49.9
286.09460	10.1
287.10214	48.2
289.08109	3.5
293.12845	3.7
297.08563	10.7
298.09415	3.4
299.10217	15.4
301.08200	27.1
303.09827	13.2
305.07755	3.3
313.11920	3.4
315.09866	21.1
325.08163	9.9
327.09796	11.6
328.10519	3.0
329.07687	38.8
329.11401	16.7
330.08133	2.6
343.09274	19.7
347.35709	2.6
351.13229	26.6
376.36435	2.9
379.12302	2.4
410.17581	2.6
422.16953	21.3
423.11908	8.5
424.18512	12.6
426.20404	5.9
434.16937	3.9
440.17944	5.1
450.16690	28.3
452.18130	60.4
454.19794	37.3
455.20309	2.8
468.17487	16.5
478.16016	14.1
482.19290	29.8
496.17062	50.5
510.18427	13.7
514.18182	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	19.0
53.04538	4.9
55.01867	15.8
55.05504	25.7
57.03431	28.3
61.02914	33.6
62.95795	4.8
67.05161	10.1
67.05500	87.5
69.03432	40.3
69.07067	31.9
71.01302	6.2
71.04999	11.8
71.58332	8.0
73.02918	18.6
79.05490	58.6
79.69572	4.9
81.03419	38.8
81.07056	100.0
83.04961	26.1
83.08629	13.1
85.02905	51.7
87.82743	4.9
89.98402	5.0
91.03958	22.2
91.05486	79.1
93.07032	56.7
95.04987	35.0
95.08603	32.3
97.02895	41.7
97.06502	11.1
99.04465	15.2
105.07032	84.6
107.04967	17.9
107.08602	52.9
109.02857	14.6
109.06510	16.1
109.10161	66.0
113.76338	4.8
117.07009	22.5
119.08585	23.1
121.06508	9.6
121.10123	11.0
123.04450	7.5
123.08084	8.2
123.11684	13.0
127.03940	24.6
129.05487	8.1
129.06998	8.0
131.08577	31.6
133.06520	15.0
133.10126	96.9
135.08087	28.3
137.06007	6.5
143.08568	9.2
145.04938	6.7
145.10156	12.1
147.11681	9.9
149.09615	16.0
151.11176	70.3
157.10129	10.9
159.08115	5.9
159.11772	7.2
161.09630	15.9
163.11182	9.4
169.10182	5.2
169.12250	13.8
171.11716	5.9
177.09058	10.9
187.14818	5.4
245.18903	7.6
253.14349	42.0
263.19986	7.2
269.13980	7.1
273.18466	34.4
291.19601	23.8
347.22165	13.4
365.23169	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.9
55.01865	11.3
55.05502	31.5
56.96556	7.7
57.03433	47.5
57.07066	8.2
61.02914	20.0
67.05503	78.8
68.99749	5.6
69.03423	53.1
69.07071	38.4
69.32602	6.0
69.32934	61.7
71.04978	23.4
73.02901	9.2
79.05487	66.2
81.03408	53.1
81.07055	100.0
83.04976	20.1
83.08611	23.8
85.02902	54.1
85.06508	16.8
87.00835	12.4
91.03938	12.0
91.05481	61.7
92.91228	6.6
93.07046	70.3
95.04968	46.4
95.08610	77.3
97.02368	5.8
97.02886	36.4
97.06541	36.6
97.10181	17.6
99.04441	7.5
99.08080	36.7
104.20590	6.5
105.07050	45.9
107.04936	23.2
107.08591	43.7
109.02857	25.7
109.06498	32.3
109.10132	29.2
111.04424	12.0
111.08060	10.6
113.05977	8.8
115.05444	9.7
117.06997	25.9
119.08569	43.8
121.06490	15.0
121.10143	35.1
123.08040	23.9
123.11704	14.1
125.09613	20.0
127.03960	29.4
127.07559	13.7
129.07013	15.8
131.08575	37.4
133.06496	9.5
133.10109	25.8
135.04373	9.7
135.08022	24.4
135.11678	19.2
137.09662	6.7
138.09187	8.1
140.07014	7.0
142.07695	6.5
143.08554	12.1
145.10136	19.9
147.04393	7.5
147.08041	16.9
147.11641	19.0
149.09598	15.9
149.13280	9.0
151.07506	9.2
155.08667	6.5
157.10132	18.8
159.08061	8.7
159.11710	12.3
161.09581	17.7
161.13260	8.9
163.03905	13.7
163.11139	8.9
163.14735	8.4
165.12737	7.5
173.09581	12.4
173.13307	7.4
175.11169	7.9
177.12778	11.9
181.04988	6.1
181.10281	5.1
183.17438	10.3
183.46909	6.5
184.17744	10.3
185.13310	7.6
186.58951	6.6
189.09134	10.1
189.11163	13.0
189.16339	8.1
195.11751	6.9
195.13678	6.6
199.14795	8.0
213.03880	6.8
217.15950	6.9
221.15454	9.0
227.12703	8.5
237.10335	9.2
238.10661	12.7
244.19942	10.1
253.09647	9.3
254.10004	14.6
255.17357	6.9
265.09607	17.0
266.10052	29.9
267.11035	13.7
268.11734	8.8
273.18497	53.9
279.15674	7.0
279.23126	11.6
281.08911	11.3
282.09656	10.1
291.19476	26.0
293.09180	13.2
294.09601	25.0
295.10181	9.6
309.12299	9.5
311.10129	17.3
312.10593	18.9
313.11618	8.5
339.09219	9.1
340.10233	9.4
347.22073	17.7
353.11255	13.7
354.11725	22.5
355.12192	11.4
365.23270	47.4
371.12213	14.6
372.12750	41.3
385.13776	15.6
386.14441	61.4
387.15387	33.0
399.22009	6.9
412.97067	6.4
483.25183	17.9
495.19547	30.4
509.22876	6.0
527.23395	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
55.01866	20.5
55.05505	13.5
57.03440	43.3
61.02929	46.1
67.05500	75.3
69.03416	26.8
69.07062	23.1
71.00947	4.8
71.01352	5.2
71.04977	18.6
73.02913	20.6
74.73621	4.6
79.05492	53.5
81.03423	29.4
81.07053	52.9
83.04980	16.9
83.08642	7.5
85.02894	50.4
85.06540	44.5
91.03951	21.8
91.05468	47.4
93.07039	46.5
95.04969	100.0
95.08608	34.3
96.59382	5.3
97.02884	38.1
97.06548	17.1
99.04469	14.7
101.02395	5.9
105.07021	36.2
107.04937	21.1
107.08585	34.9
109.02850	15.1
109.06514	99.5
109.10149	24.0
113.06006	99.0
117.07022	20.6
119.08563	29.1
121.06495	13.6
121.10171	13.2
123.08047	7.5
125.09538	5.7
127.03930	29.5
129.07008	12.3
131.08560	28.6
133.10114	17.7
135.08047	70.3
135.11722	17.4
137.06013	9.3
143.08578	18.5
145.10150	29.1
147.08069	16.1
147.11725	9.6
149.05936	7.6
149.09604	10.8
157.10155	12.3
159.11705	19.7
161.09622	10.7
163.03900	12.0
163.07472	13.4
163.11220	6.7
171.11638	8.6
175.11162	6.1
177.12762	10.9
185.13206	7.6
187.11147	6.9
189.55331	6.0
191.10611	7.1
199.14825	11.6
201.12660	5.6
217.15936	23.5
229.71799	6.5
237.02884	8.4
273.18439	63.0
291.19528	98.2
347.22180	12.3
362.98056	6.1
365.23276	17.7
393.57834	6.0
493.48825	6.2
527.24847	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01875	8.2
55.05510	27.0
55.23105	1.4
55.74625	1.3
57.03435	14.1
59.05010	1.9
61.02925	13.0
67.05504	24.9
69.03429	26.5
69.07067	26.7
69.88600	6.8
71.01334	3.0
71.04993	4.7
73.02919	8.8
79.05064	2.1
79.05493	29.2
81.03419	28.6
81.07052	29.2
81.22717	1.4
83.04961	7.4
83.08617	12.1
85.02906	22.1
85.06518	2.1
87.04441	1.4
89.58990	1.6
91.03957	5.9
91.05477	16.7
93.07045	18.5
95.04967	12.8
95.08604	11.6
97.02890	27.3
97.06529	4.2
97.10168	19.6
98.20831	1.7
99.04467	4.3
101.02397	6.2
103.03945	3.4
105.07040	15.8
107.04944	8.2
107.08601	16.2
109.02879	8.5
109.06510	4.2
109.10143	9.4
111.04451	2.2
111.08098	4.8
117.07021	8.9
119.08575	13.3
121.06536	5.1
121.10118	8.0
123.04444	1.9
123.08099	7.3
125.09634	15.1
127.03948	11.9
129.05473	1.5
129.07010	6.3
131.08586	11.9
133.06477	3.4
133.10156	5.8
135.04523	1.6
135.08052	4.4
135.11667	4.0
137.09660	2.3
142.07843	1.5
143.08572	4.3
145.04967	3.1
145.10097	8.8
147.08051	5.7
147.11702	3.5
149.05977	2.1
149.09621	2.7
149.13310	2.4
151.07666	1.8
153.09050	3.4
157.10144	4.8
159.11771	4.2
161.09633	4.5
163.11156	3.6
165.09114	3.4
171.11678	1.8
173.04536	1.5
175.11221	3.3
177.09142	1.4
181.12186	1.5
183.06494	2.4
185.09708	1.8
189.11215	15.6
193.12196	7.5
195.11757	1.9
195.13715	1.8
201.07596	2.0
205.12315	1.7
211.13298	6.2
223.13284	16.4
227.12721	4.0
227.18030	1.9
245.18886	2.8
249.14908	4.3
255.17480	1.6
267.15811	1.7
273.18521	17.1
291.19537	100.0
315.19318	1.5
347.22205	2.7
365.23221	22.4
393.03006	1.8
404.33792	1.3
509.27960	2.4
524.48755	1.5
527.28345	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.43816	0.5
62.58771	0.5
64.48207	0.6
67.05493	1.1
67.07346	0.5
69.03421	1.2
69.07054	1.1
69.46124	0.5
69.96600	2.1
79.05471	1.6
81.03432	1.0
81.07069	3.0
85.02909	1.1
85.06522	0.6
91.05490	1.6
93.07030	2.0
95.08599	1.4
97.06547	0.7
105.07037	1.0
107.04959	0.8
107.08585	1.9
109.02876	0.7
109.10146	1.3
119.08620	1.1
121.10104	1.0
127.03954	0.8
131.08522	0.8
145.10164	0.9
147.08067	0.6
163.04036	0.8
178.41537	0.5
179.62799	0.5
185.04289	1.1
203.05284	2.1
217.08640	0.7
227.05264	1.0
241.57391	0.5
245.06311	5.2
261.18311	2.4
271.04150	1.1
279.19400	5.0
289.05276	9.6
321.19186	0.9
365.23267	0.8
423.23471	2.5
441.24570	7.2
453.97678	0.7
465.24646	6.6
483.25626	26.8
495.19492	0.7
509.23590	25.0
510.23923	0.8
527.24597	100.0
528.24933	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
54.57887	3.1
55.01871	10.7
55.05516	39.1
57.03448	20.1
59.04988	4.1
61.02924	21.8
65.45463	3.3
65.89926	3.3
67.05501	53.3
69.03425	35.4
69.07063	35.3
73.02917	10.7
78.92487	3.9
79.05496	41.8
81.03421	37.9
81.07053	63.4
83.04981	14.6
83.08198	3.3
83.08588	16.5
85.02908	35.9
88.90164	3.5
89.03074	3.6
91.03951	12.2
91.05477	37.8
91.10077	3.0
93.07043	35.0
95.04967	21.4
95.08596	24.1
96.85453	3.1
97.02891	33.9
97.06548	6.8
97.10174	14.9
97.72168	3.1
99.04450	7.1
101.02381	8.6
103.03924	5.4
105.07022	34.5
107.04949	11.3
107.08582	31.3
109.02901	13.1
109.06522	15.2
109.10175	17.2
111.04415	6.4
111.08106	4.9
115.03931	3.7
117.07008	12.1
119.08578	20.7
121.06499	8.8
121.10145	15.5
123.04430	4.7
123.08076	15.2
125.09626	19.2
127.03905	12.1
129.06979	9.1
131.08578	15.5
133.06537	8.2
133.10121	22.1
135.08067	13.3
135.11746	5.5
137.09587	3.8
143.08572	6.6
145.10141	10.4
147.08087	11.4
147.11661	8.2
149.09616	9.6
151.11180	9.6
157.10144	8.7
159.08029	4.7
159.11696	7.9
161.09630	6.9
163.07526	4.9
163.11229	5.4
165.09126	6.0
171.11746	7.1
171.53374	3.3
173.13304	4.7
175.11168	4.7
177.09070	4.3
177.12721	5.4
179.10828	3.5
189.11203	16.3
193.12303	13.9
203.10939	3.8
205.12381	4.3
211.13345	7.9
220.53275	3.2
223.13324	15.4
227.12787	7.8
229.68013	4.6
237.48917	3.6
255.17534	6.0
269.17459	5.5
273.18484	34.5
291.19525	100.0
347.21997	7.5
365.23172	36.4
393.22189	4.2
418.12695	3.7
429.21243	3.8
461.67117	4.0
509.27365	8.3
527.28601	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
58.94950	0.9
67.05492	1.6
69.07053	2.9
70.91179	2.0
70.91513	1.7
76.12933	1.0
81.07057	1.1
86.09670	0.9
94.06557	4.3
108.18266	0.9
110.06016	1.0
111.96044	1.0
120.04494	1.6
122.06028	6.5
123.04454	1.1
136.07564	1.1
138.05522	2.0
140.07048	11.3
146.06015	3.1
147.06796	1.6
158.73146	1.1
172.03999	5.1
174.05518	3.9
183.13467	0.9
190.04961	2.6
204.06544	5.9
206.08083	1.6
208.09854	1.6
209.10779	1.5
212.09410	2.7
222.07770	1.4
223.08495	1.1
223.12280	2.4
224.09407	1.0
225.10210	8.6
234.09245	1.1
235.08670	3.9
236.09346	6.2
236.16928	1.0
237.10222	17.8
238.10936	1.6
239.11752	1.8
243.11177	1.0
243.32022	1.0
249.10199	4.2
250.11012	2.9
251.08144	1.0
251.09143	1.5
251.11772	16.7
252.08743	4.9
253.09627	7.8
253.13664	1.3
254.10414	1.5
255.11272	3.7
261.12485	1.6
263.11777	1.5
265.07129	1.9
265.09708	22.7
266.10596	3.5
267.11197	12.1
278.06454	1.3
279.11203	21.7
279.13907	1.7
280.08932	1.1
280.12027	2.8
281.12936	2.5
283.10782	5.0
284.11496	1.2
285.12323	2.8
291.11340	2.0
293.09186	20.3
294.09872	3.9
295.10764	20.0
297.12332	6.6
307.10715	4.9
309.12424	5.6
311.10184	3.0
312.11032	2.6
313.11813	15.4
324.10980	1.4
325.11826	27.9
326.12500	1.3
327.13388	1.0
331.12753	2.2
335.10226	13.6
337.11661	1.3
345.14545	2.9
353.11295	100.0
354.11792	4.0
355.12692	4.5
357.14566	1.3
367.12744	1.0
371.12473	1.7
385.13959	12.2
386.14368	1.3
387.15387	1.5
450.20016	2.2
452.18311	2.3
466.19702	2.6
476.18173	1.4
484.78568	1.1
494.19183	37.4
495.19440	1.2
549.62347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
55.05526	2.0
67.05497	3.3
69.03425	2.8
69.07066	7.3
70.50553	1.3
70.63497	5.2
81.03413	3.2
81.07043	3.3
84.08115	1.7
85.02911	7.9
86.09712	2.9
91.05463	4.1
93.07020	3.7
94.06561	6.4
95.04958	3.1
95.08588	2.7
97.02868	2.9
97.06520	1.6
100.41227	1.6
105.07025	4.1
107.08557	1.8
109.02869	1.5
109.10107	2.0
110.06044	2.5
119.08619	2.2
121.10130	2.4
122.06031	12.2
127.03860	2.2
138.05504	2.9
140.07057	12.4
146.05980	5.8
163.03911	1.5
172.03937	8.3
174.05482	5.1
184.07295	1.8
186.89749	1.5
190.04947	5.3
191.05789	1.8
197.10753	1.9
204.06592	8.5
206.08081	3.1
209.10744	2.5
210.11435	1.6
212.09341	2.2
223.12280	3.4
224.09435	2.0
225.10222	10.0
226.10817	1.8
235.08690	6.3
236.09401	8.1
237.10226	23.8
238.08549	1.6
238.11087	2.3
239.11772	3.3
249.10139	6.9
250.11009	4.3
251.08250	1.5
251.09132	2.1
251.11783	22.3
252.08958	3.7
253.09706	7.1
255.11279	4.6
261.12445	1.8
263.11813	2.3
265.09720	27.1
266.10483	5.5
267.11230	17.2
278.06598	5.2
279.11237	25.3
280.11990	2.9
281.12891	2.9
283.10742	3.9
284.11572	2.7
285.12366	2.9
293.09195	22.2
294.09845	6.1
295.10721	20.8
297.12360	10.0
307.10678	7.2
309.12219	7.7
311.10178	2.8
312.11041	3.3
313.11859	22.5
325.11835	31.0
331.12759	3.2
335.10239	20.5
337.11832	2.0
345.14603	3.0
353.11313	100.0
354.11938	2.4
355.12692	3.2
371.12421	3.0
385.14001	12.2
409.45975	1.6
436.16306	1.5
448.18967	1.7
450.20245	2.4
466.19656	4.8
476.17914	2.9
494.19263	53.0
508.22250	2.8
526.22607	9.7
527.24487	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59574	1.2
51.62099	1.2
55.05504	3.7
57.07058	2.1
60.97088	1.4
61.39058	1.3
62.80243	1.2
66.86731	1.5
67.05493	6.2
68.05035	3.5
69.03418	3.9
69.07069	8.9
69.51057	12.8
74.02430	2.8
74.06063	2.5
79.05486	4.4
80.05010	4.6
81.03429	3.4
81.07040	6.7
82.06580	1.3
83.08618	2.9
84.04519	3.3
85.02913	7.8
91.05490	4.3
93.07040	5.3
94.06556	6.1
95.04979	2.4
95.08598	7.2
96.08122	3.0
96.08937	1.5
97.02876	1.9
97.06532	1.7
98.21518	1.9
99.04485	1.6
100.03960	3.3
105.07040	3.1
107.08569	3.5
108.08131	1.7
108.23105	1.4
109.10154	6.0
118.77056	1.4
119.08589	2.9
120.04465	1.8
120.08138	2.0
121.10174	2.4
122.06047	8.5
123.11692	1.6
124.03960	7.5
124.07593	2.0
127.03980	2.0
130.04976	4.3
131.08527	2.0
135.11684	2.2
138.05460	3.9
138.09125	2.2
140.07051	17.3
146.06004	5.1
152.06941	1.4
166.08643	2.6
172.03934	6.9
174.05496	4.7
190.04990	5.8
191.05635	2.0
204.06670	6.9
206.08109	3.8
209.10759	3.8
210.09311	1.6
210.11629	1.9
211.08629	1.9
212.09338	2.2
223.12405	1.8
224.09422	2.5
225.10165	7.9
234.09305	1.8
235.08676	5.7
236.09473	5.6
236.23807	2.1
237.10225	21.7
238.10854	2.4
239.11771	3.4
241.09462	2.0
246.22107	3.0
248.23807	1.7
249.10225	4.1
250.11145	4.1
251.08176	3.1
251.11795	20.7
252.08980	6.0
253.09743	7.4
253.13272	1.6
255.11282	3.8
263.11737	3.5
264.08902	2.0
264.23190	10.1
265.09692	24.6
266.10483	4.8
267.11279	14.3
279.08185	2.5
279.11172	17.1
279.13556	1.8
280.11981	2.6
281.09528	2.5
281.12820	4.5
282.24197	4.2
283.10675	3.9
285.12323	2.7
291.11215	1.8
292.22714	5.1
293.09222	23.5
294.09973	4.4
295.10767	19.9
297.12265	8.0
301.11719	1.9
307.10767	9.0
309.12265	7.4
310.23810	21.5
311.10208	6.0
312.11057	2.4
313.11807	22.4
314.12100	1.7
325.11774	31.2
327.13428	2.0
328.24774	11.5
335.10220	16.6
337.11703	3.3
345.14255	2.3
346.25809	25.4
353.11310	100.0
354.11929	5.9
355.12848	5.0
361.13812	2.1
364.26920	34.8
367.12885	2.6
371.12384	6.5
385.13885	22.7
386.14465	3.1
387.15839	2.4
466.19656	4.3
476.17899	2.4
494.19193	47.0
526.22260	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05500	16.5
57.07051	4.6
58.97294	3.4
65.03915	5.6
67.05500	26.3
69.03423	13.9
69.07069	39.0
69.44972	30.7
71.04991	6.6
78.44726	3.4
79.05478	12.8
81.03421	10.3
81.07056	62.0
82.27502	3.1
83.04992	7.8
83.08604	11.6
84.08121	3.7
85.02908	19.1
85.06530	8.1
86.09681	4.1
86.99765	3.8
87.00821	4.1
91.05467	17.2
93.07043	27.1
94.06541	14.8
95.04936	6.8
95.08609	55.9
97.02900	7.3
97.06526	8.5
97.10153	7.8
98.21535	6.6
99.04446	3.8
99.08131	7.7
105.07040	19.5
107.08591	32.1
108.08044	3.6
109.02881	4.6
109.06537	7.1
109.10159	54.0
111.08070	4.8
111.11728	5.7
119.08576	15.5
121.10141	20.7
122.06033	13.9
123.08067	4.1
123.11691	26.6
127.03871	11.5
131.08580	7.0
133.10120	14.6
135.07999	4.3
135.11696	13.9
136.07588	4.2
137.05960	3.9
137.09639	8.0
137.13281	5.1
140.07050	26.2
145.10088	7.2
146.06006	6.7
147.11638	8.0
149.09599	5.8
149.13255	25.0
150.05508	4.9
159.11664	5.4
161.13223	4.9
163.07503	4.1
163.14777	6.1
164.82449	3.4
165.09138	3.3
167.03383	3.6
172.03920	17.4
175.11070	3.4
177.09071	4.5
190.04961	6.5
191.14410	4.1
191.17915	4.3
204.06531	39.4
205.19522	26.7
206.08199	15.9
206.87250	3.4
209.10678	4.3
217.19492	4.3
222.07828	4.2
223.20551	22.1
225.10205	18.4
235.08583	9.9
235.20494	7.9
236.09468	11.4
237.10262	41.5
239.11705	7.4
241.21715	3.6
249.10254	7.6
250.11037	8.4
251.11739	33.6
252.08676	5.3
253.09778	4.1
253.21652	18.8
255.11272	7.8
265.09720	56.2
266.10471	6.8
267.11227	20.0
277.14078	13.2
277.17609	4.6
279.11145	28.2
279.26746	4.7
283.10895	5.8
284.11328	5.4
285.12296	7.3
287.03867	4.8
289.05231	20.6
291.26746	10.4
293.09152	28.5
295.10748	26.8
297.12308	10.0
307.10706	12.2
309.12408	7.1
311.10162	8.5
313.11823	16.9
314.13153	3.5
323.10385	4.6
325.11874	42.7
331.13165	5.8
335.10220	19.9
345.14432	14.3
353.11301	100.0
354.11758	5.6
355.12714	5.6
363.22064	4.1
385.13913	31.4
439.18961	7.1
466.19739	9.6
475.16748	4.1
481.19073	18.4
481.25055	6.4
494.19214	45.7
525.19452	89.9
526.20447	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.05507	5.7
57.03437	3.1
57.07077	2.7
61.02925	2.9
62.06088	3.4
66.18194	2.0
67.00127	2.1
67.05505	19.6
69.03429	11.7
69.07069	21.3
70.06587	4.3
71.04986	2.3
71.57693	3.7
79.05484	12.2
81.03419	7.3
81.07053	35.4
83.01365	2.3
83.04988	2.8
83.08609	6.1
85.02900	8.6
85.06551	7.2
91.05478	7.6
93.07050	17.7
94.06554	9.1
95.04960	8.4
95.08604	28.8
97.02885	4.2
97.06532	6.9
97.10159	4.1
99.04439	5.0
99.08088	10.5
105.07027	12.2
107.08598	15.1
109.02892	7.4
109.06532	5.4
109.10164	29.9
111.04375	2.3
111.08073	4.1
119.08583	9.1
120.08082	2.6
121.06436	2.4
121.10111	12.0
122.06030	11.1
123.08103	3.5
123.11729	12.0
124.07584	3.7
125.05972	2.2
125.09631	5.2
127.03903	9.4
131.08586	2.7
133.06512	2.6
133.10104	11.1
135.08043	4.9
135.11694	7.3
136.07579	3.1
137.05986	4.5
137.09618	3.7
137.13312	2.7
138.05438	5.6
138.09183	2.8
139.11201	3.5
140.07085	21.5
144.04433	3.8
145.10095	4.6
146.05995	4.6
147.04492	2.5
147.11668	4.7
149.05981	2.3
149.09642	4.0
149.13246	15.0
151.00352	2.5
151.07553	2.3
157.10193	2.3
159.02991	2.0
163.07649	2.3
165.05688	2.5
165.09103	5.3
167.06985	2.7
172.03923	15.4
173.13365	3.3
174.05534	4.3
190.04974	6.2
191.14417	2.5
204.06577	28.8
205.19540	13.4
206.08160	10.2
209.10721	3.1
223.12274	3.6
223.20575	7.5
224.09270	2.4
225.10315	13.2
235.08630	4.1
235.20598	2.7
236.09438	8.6
237.10252	27.9
239.11769	4.1
241.21666	4.3
249.10213	7.5
250.10986	4.7
251.08025	3.6
251.11787	25.0
252.08830	7.5
252.12633	2.4
253.09726	8.5
253.13382	3.2
253.21724	5.0
255.11407	5.9
259.20624	8.1
261.12509	4.7
264.08813	2.9
265.09714	41.7
265.12338	2.1
266.10541	8.0
267.11322	18.8
277.14114	4.3
279.11102	23.5
280.08569	2.4
281.12952	3.9
283.10806	6.2
284.11575	3.5
285.12405	6.1
289.05331	10.1
293.09207	28.4
294.10013	4.5
295.10849	19.9
297.12201	13.3
307.10718	8.5
309.12433	4.2
311.10394	6.1
312.10947	7.0
313.11737	14.7
325.07999	2.8
325.11853	49.7
326.12408	4.1
329.11261	2.3
331.12943	4.5
335.10245	18.0
345.14502	14.0
353.11298	100.0
355.12885	2.8
358.15427	3.2
363.22052	3.6
367.12766	3.0
371.12314	3.4
385.13928	19.0
387.15405	2.7
465.18613	2.6
466.19745	11.4
476.18063	3.0
481.24118	6.8
493.17728	6.4
494.19174	50.4
507.20718	6.7
508.20547	5.1
525.20807	35.8
526.21692	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85757	2.2
53.03943	4.7
55.01859	6.6
55.05505	14.2
57.03422	8.3
57.07051	6.3
61.02916	4.2
66.88004	2.3
67.05505	25.7
68.99786	2.7
69.03424	38.7
69.07052	9.9
69.45737	22.4
71.04978	6.0
73.02895	4.1
77.12552	2.3
79.05514	11.6
81.03413	36.8
81.07046	32.1
83.04961	8.5
83.08598	4.1
83.11529	2.6
83.36292	2.6
85.02905	35.0
85.06545	65.0
87.00833	15.1
87.01271	2.5
91.05473	15.1
93.07031	16.5
95.04981	7.5
95.08604	32.6
97.02888	18.0
97.06525	3.2
99.04442	7.5
99.08090	74.5
105.01859	9.0
105.07026	31.3
107.04926	4.4
107.08603	14.6
109.02869	22.6
109.06505	16.0
109.10155	21.3
117.06995	5.0
119.08588	37.5
121.10141	39.8
123.08104	11.7
123.08942	2.7
123.11689	10.5
125.05997	5.5
125.09615	22.0
127.03924	35.7
129.01845	2.9
129.06976	2.4
131.08546	7.9
133.06473	2.7
133.10146	19.9
135.08115	5.6
135.11693	7.6
137.09618	13.9
137.13290	3.2
138.09923	3.0
139.11174	3.5
142.07706	3.3
143.08539	8.2
145.04938	9.1
145.10114	14.8
147.07976	3.8
147.11694	39.4
149.09613	4.9
149.13242	3.1
151.11198	4.7
157.10120	10.0
159.02861	11.6
159.11714	12.9
161.09584	6.7
161.13228	7.0
165.07802	3.8
165.09128	58.0
165.12762	21.5
166.09453	24.6
170.10893	2.4
171.11656	11.2
173.13293	7.5
175.11209	7.4
175.14876	9.9
177.12735	2.9
179.14417	11.6
183.11682	3.1
185.13243	13.1
187.14796	2.8
189.12752	5.8
193.05069	6.4
196.90123	2.5
199.14790	9.4
201.16359	15.6
203.14378	5.3
217.15707	3.7
231.04901	4.3
241.19489	9.3
259.20560	100.0
260.20746	3.0
277.21634	9.2
387.72372	2.6
460.86694	2.4
481.23984	7.7
507.21994	4.8
507.32816	9.6
525.21539	5.7
525.28394	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
67.05498	1.0
69.03422	1.5
69.07047	1.3
70.06574	0.5
71.58590	1.1
79.05502	1.1
81.07045	2.0
83.04968	0.6
84.08128	0.7
85.02888	1.1
86.09730	0.6
91.05468	0.8
93.07029	1.0
95.08640	1.5
96.08134	0.8
97.02914	1.1
98.97605	0.8
105.07000	0.7
107.08558	0.7
109.02852	0.7
109.10153	1.5
119.08616	1.2
120.08170	0.6
121.10097	0.7
122.05948	0.8
123.11644	0.8
124.07578	1.6
127.03870	1.1
133.10132	1.0
138.09132	0.8
140.07056	1.3
146.05989	0.6
146.53117	0.6
166.08650	1.1
168.06535	0.6
172.03922	1.3
190.05005	1.9
193.15872	1.2
204.06577	1.0
272.10992	0.8
295.10330	0.8
309.12180	0.6
317.11636	0.7
325.11865	1.7
335.09491	3.3
339.66400	0.7
352.97955	0.7
353.11273	0.9
393.18335	1.0
493.18018	0.8
494.18948	3.0
525.23041	100.0
526.23029	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2304
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05503	1.2
67.05506	1.7
69.03440	1.1
69.07075	1.5
70.93416	1.2
71.04993	1.5
78.94343	0.5
79.05495	0.9
81.07060	1.9
85.02895	1.1
85.06516	0.6
91.05482	1.5
93.07039	2.5
95.04964	1.2
95.08589	2.5
97.06540	0.9
97.10181	0.6
101.81489	0.5
105.07024	2.0
107.08613	2.0
109.10146	1.8
119.08582	1.1
121.10200	0.9
123.08080	0.6
123.11725	0.8
125.09605	0.6
127.00042	0.8
127.03913	0.7
131.08580	0.6
131.35655	0.5
133.10190	0.9
138.05553	0.7
147.11723	0.7
147.26761	0.5
149.13297	0.8
163.07552	1.1
163.14906	0.8
164.07956	0.6
169.04758	2.3
173.13420	0.5
177.08911	1.0
179.27029	0.5
181.08662	1.2
182.08948	0.6
189.09068	0.5
203.05338	0.9
207.13641	0.6
215.70314	0.5
245.06367	5.7
259.16644	4.6
259.20639	0.7
277.17752	9.1
279.10992	0.5
289.05252	4.3
311.10202	0.7
312.10696	0.6
356.13312	0.7
369.18970	1.6
370.14896	0.5
393.16309	0.6
411.19772	2.7
421.22031	1.7
439.23163	5.5
455.18851	0.6
457.27579	0.6
463.23096	2.6
481.24112	34.1
493.18140	2.3
507.22073	6.2
525.23120	100.0
526.23450	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22122	0.4
55.01857	0.4
55.85617	0.5
59.01915	0.4
61.91223	0.5
66.79564	0.4
67.05492	1.7
69.03426	1.5
69.07075	0.8
69.85116	2.6
70.06598	0.6
71.04984	0.6
79.05501	0.5
81.03399	0.9
81.07056	1.8
85.02898	1.3
86.09682	0.5
91.05476	0.8
93.07034	1.5
95.08603	0.9
97.02889	0.6
98.20843	0.6
99.04490	0.5
105.07057	0.6
107.08582	0.9
109.06509	0.5
109.10133	0.7
117.03346	0.4
119.08611	0.8
121.10141	1.0
123.08089	0.5
127.03855	0.9
133.10150	0.5
145.02835	1.5
146.03148	0.6
149.13275	0.6
151.03824	0.5
177.05527	1.7
178.05818	0.9
213.03899	1.0
232.85796	0.4
335.09448	2.7
393.18536	0.5
399.02414	0.4
400.15231	0.6
404.90683	0.5
494.19409	0.9
515.07788	0.4
525.23071	100.0
526.23450	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.371
Annotation	PAF C-16
Peak:m/z	Relative Intensity
52.44075	0.4
52.65085	0.4
57.07056	0.9
60.08159	5.7
61.92537	0.4
67.05489	0.7
71.07374	3.2
71.08633	0.7
71.58562	0.8
86.09700	30.2
98.98460	2.4
104.10755	2.5
117.11945	0.5
125.00002	19.8
143.01013	0.5
143.43198	0.5
175.74466	0.4
184.07330	100.0
185.07767	0.6
262.66803	0.4
358.38980	0.5
506.35764	1.1
524.37262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01881	1.0
55.05502	2.9
57.03439	1.1
57.04490	0.8
64.14266	0.8
67.05505	4.5
69.03428	2.1
69.07065	3.0
70.06582	0.8
70.49014	1.6
70.49388	1.7
72.27033	0.8
74.09722	1.1
79.05507	5.5
80.05014	2.1
81.03422	2.6
81.05786	1.1
81.07059	3.5
82.06576	1.8
83.04957	1.1
83.80399	0.7
85.02878	2.4
86.99981	0.8
91.05476	6.3
93.07035	9.1
94.06570	8.1
94.64164	0.8
95.04967	1.9
95.07357	9.6
95.08601	3.8
96.08125	19.1
97.02895	1.8
97.06527	3.8
97.10143	1.4
103.05454	2.3
105.07029	3.2
107.07389	1.0
107.08589	3.0
108.08121	15.0
109.06525	1.1
109.08926	2.0
109.10139	1.5
110.09681	35.4
111.08077	1.0
117.07020	2.7
119.08585	2.4
119.60069	0.8
120.08098	22.3
121.06441	1.5
121.10162	1.9
123.06782	0.9
123.08058	1.1
127.03925	1.2
129.06905	0.9
131.08582	1.6
133.10117	2.0
135.07991	1.4
136.07570	13.8
138.09134	40.6
145.06482	2.0
145.10158	1.5
147.11720	1.2
148.07564	8.9
149.02289	1.1
149.09636	1.2
159.11731	1.0
162.09172	2.3
166.08638	100.0
171.11627	1.1
182.09668	1.0
183.06525	0.9
210.09138	3.7
223.53520	1.0
224.07114	3.5
226.08627	3.0
238.08684	7.9
240.06493	2.9
240.10292	2.3
242.08174	3.1
250.08478	0.9
252.06609	3.7
254.08028	7.7
256.09521	1.2
259.20700	1.3
266.08090	14.0
268.09705	5.2
270.07495	2.8
271.16855	2.2
282.07660	3.6
284.09143	4.0
294.07474	7.2
296.09207	5.2
300.08508	1.6
312.08664	14.3
314.10260	1.2
317.13113	1.0
319.20117	1.5
322.06897	4.0
340.08151	14.4
345.20520	1.7
360.10568	4.1
372.10742	32.3
373.11548	1.9
377.14847	0.9
405.14435	1.3
419.15982	2.4
431.16324	1.2
447.15540	2.1
465.16650	4.6
475.15176	1.7
479.18054	1.4
481.23749	1.3
493.16043	6.7
507.17719	3.7
525.23096	1.5
525.30554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3708
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05024	1.0
57.07059	2.6
58.06601	1.4
60.07880	1.2
60.08163	17.0
69.44326	3.0
69.44758	2.6
69.71024	0.6
71.07372	7.4
71.08627	1.6
76.57245	0.6
85.10172	0.8
86.09703	54.6
95.08633	0.8
98.98466	3.9
104.10741	99.1
108.49173	0.7
125.00004	26.7
136.16084	0.6
152.96895	0.6
166.28903	0.6
184.07333	100.0
202.80133	0.7
208.99690	0.6
258.10999	1.4
341.30511	2.0
377.45154	0.8
491.73840	0.7
506.36026	8.2
524.37152	24.6
525.37292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3065
Annotation	Broussonetine K
Peak:m/z	Relative Intensity
50.14804	0.6
50.37917	0.6
51.33623	0.7
53.03939	1.2
55.01866	1.5
55.05503	1.2
56.05025	2.5
57.03423	2.4
60.04506	4.0
61.02914	2.9
65.03934	0.7
67.05497	5.9
68.05014	2.5
69.03423	10.4
69.07057	1.7
69.90038	2.0
69.90454	2.4
70.06585	7.5
71.04974	1.4
72.04481	0.8
73.02893	2.1
79.05495	6.1
80.05018	1.5
81.03414	3.3
81.07049	5.6
82.06571	2.8
84.08128	2.9
85.02898	16.3
86.09733	1.0
87.04455	2.6
91.03965	1.3
91.05482	4.5
93.07027	4.7
94.06553	2.6
95.04964	0.7
95.08578	4.0
96.08138	4.9
97.02890	6.1
97.06567	0.7
98.21449	0.8
99.04449	1.9
105.07018	2.5
107.08573	1.8
108.08115	1.1
109.02868	2.2
109.10167	1.2
110.09689	2.0
112.07585	2.4
114.09160	2.9
116.22825	0.6
119.08567	2.2
120.70720	0.6
121.10137	2.3
124.11232	3.3
127.03956	3.6
130.08658	3.2
133.10110	1.0
136.07573	0.8
136.87073	0.7
137.09634	1.0
145.10065	1.1
147.11807	0.6
154.12242	0.9
156.10283	0.6
165.03909	0.7
196.09901	0.8
220.20586	7.3
222.18471	3.7
223.05771	0.7
236.19977	1.0
237.02885	0.7
246.18578	2.8
246.22128	1.6
248.20198	2.7
261.07718	0.7
264.19766	3.6
264.23224	6.6
266.21005	4.8
282.20679	21.9
282.24289	4.8
284.22253	1.4
290.21103	2.0
300.25327	2.4
308.22125	7.2
326.23209	23.9
344.24268	29.9
362.25327	50.4
363.25681	1.4
488.28659	1.5
506.29623	10.2
507.66968	0.7
524.14441	2.6
524.30634	100.0
525.30981	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.5
55.05740	3.9
57.03419	3.2
57.07069	41.3
67.05499	46.9
69.07072	22.6
69.23484	3.2
69.34768	23.3
71.04977	3.5
71.08624	34.2
79.05486	17.9
81.07053	100.0
83.04954	5.0
83.08620	21.7
85.06543	8.0
85.10172	11.9
91.05467	21.4
91.58751	2.5
93.07038	12.2
95.08606	46.2
95.99657	2.9
97.06561	4.1
97.10145	8.0
99.08077	4.1
105.07027	31.4
107.08575	9.1
109.10126	14.8
118.98443	2.7
119.08575	28.6
121.10167	17.9
123.08058	2.9
123.11700	27.8
127.07531	4.0
147.11684	63.3
165.12749	36.2
183.13791	5.4
184.07373	5.2
229.14349	5.9
239.23701	7.0
247.96109	2.6
267.15814	34.3
267.18124	2.9
460.75745	4.3
523.40021	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3065
Annotation	Broussonetine L
Peak:m/z	Relative Intensity
53.03932	1.6
53.36081	0.9
55.01856	1.1
55.05506	2.6
56.05021	2.8
57.03432	3.2
60.04526	6.3
61.02912	3.3
67.05510	7.5
68.05027	1.8
69.03426	15.2
69.07059	2.9
70.06586	9.3
71.04988	3.5
71.57526	0.9
71.57968	1.9
72.08146	1.6
73.02917	2.9
74.06061	1.0
79.05487	7.3
80.05015	3.0
81.03424	4.1
81.07059	10.4
82.06569	1.7
83.04993	1.6
84.08149	3.3
85.02898	18.7
86.09701	1.5
87.04475	3.2
91.05465	4.4
93.07033	7.7
94.06564	3.6
95.04980	1.3
95.08607	5.1
96.08137	3.8
97.02901	9.3
97.06539	2.1
99.04442	2.8
100.07594	1.1
105.07032	3.6
107.04948	1.3
107.08580	4.4
108.08123	1.1
109.02890	2.7
109.10155	2.9
110.06062	1.7
110.09692	1.7
112.07612	2.5
114.09155	3.0
116.07121	1.1
119.08576	3.0
120.08121	1.5
121.10143	4.2
122.09644	1.4
123.04497	1.4
124.07602	0.9
124.11238	3.6
127.03918	4.3
129.06985	1.0
130.08653	2.4
133.10115	2.4
134.09657	1.1
135.11652	1.3
136.07581	2.4
136.11203	1.6
138.09140	1.1
143.08617	1.0
145.10135	1.7
147.11659	1.3
149.09637	1.2
154.05019	4.0
163.03909	2.9
167.07039	1.6
167.10681	3.1
173.13342	1.6
176.12068	1.0
191.14345	3.4
192.14659	1.2
202.85281	1.0
220.20602	7.0
222.18565	6.4
234.22182	1.1
236.20160	1.7
246.18585	3.2
246.22134	1.7
248.20111	3.4
264.19617	4.2
264.23279	5.5
266.21198	4.5
277.52866	1.0
280.08228	1.3
282.20685	22.8
282.24249	4.4
283.10571	1.1
284.22183	1.2
290.21552	1.2
296.22125	1.5
300.21741	1.9
300.25192	1.3
308.22189	8.6
313.01923	1.2
326.23260	26.9
326.26987	1.8
344.24292	38.9
362.25351	72.8
363.25586	1.2
488.28882	1.8
506.29596	8.5
524.30682	100.0
525.30859	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01860	2.3
55.05506	18.2
57.03432	9.7
57.07072	51.1
65.03925	1.8
67.05502	34.5
69.03417	4.9
69.07066	15.0
69.94552	4.6
69.94967	2.3
71.04995	6.4
71.08629	38.4
79.05488	18.7
81.03413	54.9
81.07048	45.8
83.04984	10.6
83.08610	32.6
85.02901	28.4
85.06522	1.7
85.10184	20.7
86.09671	1.7
91.04909	1.3
91.05473	26.3
91.06013	1.8
93.07036	14.6
95.04962	22.4
95.08603	44.2
97.02879	1.9
97.06525	2.5
97.10165	7.2
99.08098	1.2
99.11732	1.5
105.07025	20.9
107.04933	5.4
107.08604	6.5
109.06485	2.6
109.10149	19.3
111.04424	3.2
111.08077	11.3
111.11684	1.9
113.06006	2.8
115.05444	1.4
117.07009	1.7
119.08581	13.9
121.10135	8.1
123.08080	1.5
123.11731	7.7
125.09678	1.6
129.07002	10.1
131.08603	8.5
133.06505	2.0
133.10089	7.9
137.13264	3.1
142.07732	2.2
145.10139	2.1
147.08043	2.2
147.11688	10.6
149.09644	5.0
157.10123	11.9
165.12766	3.3
175.11195	14.3
184.07372	2.2
193.12236	59.2
211.13281	60.6
213.05115	1.2
221.22525	1.6
239.23660	9.4
249.14883	1.2
267.15906	4.6
285.17102	1.5
313.27341	5.4
505.39023	2.8
523.39911	100.0
524.40186	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
67.05472	3.0
69.02437	1.8
69.07065	2.4
70.18977	9.6
76.20402	1.6
81.07045	4.6
83.90376	1.8
89.03922	8.3
91.05453	1.9
91.12456	1.6
93.07045	2.0
95.08598	3.1
98.20791	2.1
109.10167	2.1
112.93356	1.7
117.03379	14.7
119.08595	3.1
121.10081	1.9
126.30746	1.8
135.04355	2.3
145.02837	41.5
149.05975	7.9
154.68805	2.0
158.05914	1.8
163.93137	2.0
172.95242	3.7
175.11017	1.7
177.05461	100.0
186.05504	4.3
190.96257	4.5
440.94223	1.9
523.24042	5.3
523.37183	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.6
55.01875	3.4
55.05511	17.8
57.03444	6.2
57.07080	48.7
66.92062	2.7
67.05506	35.3
69.07054	17.6
69.41313	7.8
69.41730	24.2
71.08630	40.1
79.05489	20.6
79.87249	3.1
81.03418	47.8
81.07056	40.5
83.04987	11.1
83.08620	34.5
85.02908	24.7
85.06561	3.7
85.10184	15.9
91.05477	31.9
91.66882	3.6
93.07044	11.6
95.04973	22.3
95.08610	41.5
97.02919	3.6
97.06520	4.3
97.10184	7.9
105.07034	16.7
107.04974	4.3
107.08614	7.5
109.06550	4.7
109.10140	18.9
111.08090	8.1
119.08567	16.9
121.10146	10.3
123.11726	9.6
129.07016	7.8
131.08592	11.9
133.10115	9.5
145.10143	4.4
147.11696	15.5
149.09598	5.6
154.94151	5.6
157.10170	10.1
165.12869	4.5
172.95241	43.4
175.11200	12.8
190.96324	23.5
193.12233	56.8
210.96896	5.4
211.13292	58.8
228.97803	16.9
235.98642	3.5
239.23669	8.3
246.98900	3.9
313.27515	8.6
318.45932	3.3
330.32703	3.5
449.19574	7.9
467.20636	8.8
486.59946	3.4
523.23926	23.6
523.40009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84304	1.1
56.96557	3.2
62.43398	1.2
67.05521	2.9
69.07090	1.9
79.05499	4.7
81.03428	1.8
81.07029	2.0
85.02859	1.5
91.05482	4.2
93.07020	3.3
95.04951	2.0
95.08582	2.3
95.45963	1.3
97.71509	1.4
98.21472	2.6
100.30554	1.7
103.05462	5.1
105.07041	13.3
107.08580	2.3
109.06533	2.6
112.14729	1.6
117.07092	1.9
119.08566	1.6
129.40982	1.3
131.08611	1.9
135.08073	2.5
149.06010	4.0
151.07492	2.4
163.07549	100.0
164.07932	2.4
165.09129	3.6
175.07574	1.3
181.08600	61.3
189.09126	1.5
243.05321	2.7
255.05302	1.7
273.06564	2.5
298.59302	1.5
323.12866	2.8
369.16736	2.3
387.10873	3.3
405.11923	2.4
412.23038	1.3
487.20911	1.9
523.21521	14.5
530.05426	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
53.58853	4.1
55.01862	4.9
55.05529	25.2
55.62262	4.5
57.07078	10.3
57.07469	4.0
61.14137	3.8
67.05498	48.4
69.03435	24.0
69.07062	42.0
69.78383	7.5
69.78786	20.6
71.04984	38.0
71.08633	4.5
79.05486	11.5
80.31872	4.3
81.03408	16.3
81.07056	85.7
83.05001	7.8
83.08632	34.2
85.02901	30.8
85.06557	8.7
87.00818	15.6
91.05502	6.4
93.07040	20.1
95.04959	10.9
95.08617	82.0
97.02885	16.8
97.06532	5.3
97.10159	28.1
98.06023	5.1
105.01836	8.0
105.07014	14.0
107.08578	12.9
109.02872	18.5
109.06550	7.8
109.10163	42.6
111.11713	9.0
117.07014	6.7
119.08564	14.5
121.10129	7.5
123.11732	25.5
125.13271	9.8
127.03921	19.9
131.08615	7.7
133.10118	9.0
137.05965	7.5
137.13268	13.7
143.08521	5.6
145.04898	5.9
145.10100	10.4
147.11617	5.1
149.13266	5.9
161.06006	6.4
163.03923	9.0
181.05011	10.7
189.03908	4.9
221.22624	9.1
231.04897	6.2
231.11562	4.8
239.23697	100.0
257.24878	4.9
523.20056	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.9
60.27511	1.7
69.07075	1.9
70.71285	3.3
70.71647	4.3
71.08677	2.0
77.86373	2.1
79.05503	2.9
85.02908	3.5
88.58098	1.6
91.05460	6.4
93.06995	2.4
95.08621	2.3
98.41599	1.6
103.05463	4.6
105.07021	12.5
107.08565	2.7
109.02868	2.1
119.08529	2.1
127.03924	1.9
133.06499	1.8
138.52965	1.7
145.93372	2.0
147.08051	1.9
149.02377	3.2
149.06053	1.9
163.07535	100.0
165.09125	2.9
175.07535	29.2
181.08577	79.1
189.09094	7.7
193.08627	18.2
197.15071	1.9
207.10165	5.4
286.68143	2.0
343.15347	3.7
361.16510	5.9
391.42511	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01875	1.6
55.05507	3.4
57.03434	1.3
67.05504	4.7
69.03427	4.5
69.07066	5.2
69.80893	5.7
71.04982	3.7
79.05510	6.5
81.03414	5.1
81.07057	9.2
83.04990	1.6
83.08610	3.1
85.02898	6.3
87.00819	2.1
91.05470	4.1
92.16733	1.4
93.07033	4.4
95.04987	3.9
95.08617	7.3
97.02907	3.7
97.06532	1.2
97.10184	2.2
100.76929	1.2
103.05477	4.0
105.04534	1.2
105.07021	12.2
107.04949	2.7
107.08611	4.2
109.02946	1.7
109.06527	1.8
109.10150	4.2
117.07057	1.9
119.08578	3.2
121.10101	1.8
123.11682	3.2
127.03944	2.8
131.08589	2.4
133.06577	1.4
133.10181	2.0
135.08029	1.9
135.11684	1.8
137.05956	2.7
143.08559	1.6
147.08095	2.2
147.11729	2.2
149.02249	1.6
149.05998	3.6
159.11644	1.9
161.05922	2.3
163.03897	7.6
163.07547	100.0
165.09082	1.7
168.07166	1.4
168.17659	1.5
173.13235	1.8
175.07556	22.5
181.05095	7.8
181.08595	81.7
186.07016	1.2
189.09125	8.2
193.08611	11.0
207.10182	6.3
215.06822	1.7
239.23738	5.9
247.09445	1.7
257.19107	1.6
267.06519	4.8
279.10913	1.6
311.05481	1.7
343.15363	5.6
361.16403	5.4
479.22580	1.8
523.21338	2.9
523.28680	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.05519	7.0
65.37501	1.3
65.48837	1.2
67.05504	2.1
69.03419	3.2
69.07060	1.7
69.87009	6.5
79.05489	4.6
81.03413	2.8
81.07044	2.6
85.02902	3.5
91.05475	5.2
93.07020	2.6
95.04972	3.0
95.08624	2.7
97.02884	2.3
99.04456	2.0
103.05469	4.6
105.07021	15.6
107.04935	2.9
107.08599	3.8
109.02886	4.1
109.10161	1.7
119.08555	3.7
121.10151	2.7
127.03893	6.0
131.04924	2.7
133.06535	2.1
135.08026	1.9
135.11642	1.5
137.05980	2.1
141.05493	1.5
144.10310	1.3
144.49020	1.4
145.10124	1.8
147.04308	1.5
147.08107	2.0
148.99586	1.4
149.02330	9.8
149.05910	2.2
151.07539	5.0
161.05977	1.5
161.13162	1.7
163.07541	100.0
164.07904	2.3
165.09128	4.3
175.07530	29.9
181.08594	80.8
182.08882	2.3
184.89903	1.3
189.09076	8.9
193.08607	16.5
207.10211	3.9
282.33209	1.5
327.99979	1.3
343.15390	2.3
361.16379	6.0
399.18579	1.3
479.57324	1.5
523.21564	1.9
523.28925	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50391	0.4
55.01854	0.4
55.05496	2.1
56.05019	1.5
57.03432	0.8
58.06577	1.0
60.08161	17.5
67.05504	1.6
69.07050	1.9
69.27596	4.9
71.07376	5.7
71.08636	0.5
75.64005	0.4
79.05491	0.8
81.07038	1.3
83.08614	1.8
86.09702	53.9
93.07049	1.1
95.08591	1.8
98.21467	0.8
98.98469	5.2
103.68446	0.5
104.10738	96.6
105.11032	0.7
109.10182	0.6
123.37403	0.5
125.00000	28.0
143.00948	0.6
154.94119	0.9
172.88599	0.5
172.95247	2.1
184.07335	100.0
185.07642	0.8
190.96275	1.6
198.07297	0.5
222.52171	0.5
228.98009	0.6
243.76137	0.5
258.10977	0.7
339.29044	1.8
433.79654	0.5
456.33167	0.5
467.21399	0.6
504.34442	8.6
522.35565	17.8
523.35864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05510	0.7
57.47298	0.6
61.92402	0.5
67.05499	1.4
69.03426	4.6
69.07076	1.2
70.78494	0.8
70.78833	1.3
74.66765	0.5
76.85536	0.6
77.03925	0.7
78.10208	0.6
79.05497	3.6
81.03401	0.9
81.07061	2.0
85.02921	0.7
85.06557	0.6
89.03934	1.0
91.05478	1.8
93.07014	0.9
95.01338	0.7
95.04964	1.4
95.08614	1.8
97.02680	0.9
105.07028	1.6
107.04946	2.6
107.08568	1.3
110.27287	0.5
113.02112	2.0
114.02850	0.7
119.04931	0.7
119.08576	1.0
121.06507	1.0
123.04422	2.7
128.06158	0.7
131.08495	0.8
133.10141	0.6
135.04367	0.8
135.08041	1.0
137.05966	1.0
142.07822	0.7
143.08536	0.9
145.02812	0.9
145.06459	1.0
145.10089	1.1
147.04385	1.1
149.05980	1.0
161.05988	1.9
161.09631	2.0
163.03897	100.0
163.07570	1.6
164.04274	1.2
174.06741	2.1
175.07526	2.2
177.09094	1.0
179.03394	5.0
181.04947	94.6
182.05269	0.8
187.07382	0.7
189.09087	6.5
191.07069	1.4
193.08653	0.8
203.10692	0.7
211.07518	0.7
229.08548	4.0
230.04037	0.9
231.04730	1.1
245.08162	0.7
247.09656	12.1
255.09964	0.7
281.08087	4.7
299.09192	6.1
311.09119	4.3
317.10193	11.3
325.14478	0.6
329.10129	7.7
343.12057	0.6
347.11108	2.2
351.12189	2.4
362.22980	0.7
369.13208	1.1
379.46826	0.7
383.14624	0.8
395.14676	2.2
425.72934	0.6
438.25385	0.6
487.17175	1.0
505.18283	1.2
523.25513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.3
67.05491	17.6
69.03434	9.5
69.07058	15.1
70.77940	23.2
71.04977	18.2
79.05467	23.4
81.07063	99.6
83.08603	10.4
85.02895	28.3
87.00834	14.4
90.91281	7.0
91.05457	21.3
93.07037	38.1
95.08628	35.9
97.02868	11.3
102.54945	8.1
103.32405	6.7
105.01856	27.0
105.07040	59.3
107.08597	63.8
109.10172	44.2
113.60103	7.0
119.08582	63.8
121.10093	7.3
123.11699	27.0
127.03922	15.9
127.11197	26.8
131.08607	7.3
133.10103	36.2
135.11696	100.0
136.07481	7.5
143.10614	9.8
147.11671	24.7
161.13280	20.6
163.07518	34.8
175.07564	18.4
181.08582	30.7
193.08629	12.1
203.17982	66.2
221.18994	57.3
269.67889	8.3
359.10678	8.2
377.31931	9.1
459.22638	7.6
534.82971	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.05035	0.3
57.03429	0.3
58.06591	0.3
60.08159	5.6
67.05492	0.3
69.07067	0.8
69.83132	1.7
71.07369	2.8
81.07041	0.3
83.08624	0.3
86.09702	28.4
87.68345	0.3
98.98464	2.7
104.10726	2.4
124.99999	20.3
127.89187	0.2
162.03804	0.3
172.95226	1.0
174.50470	0.3
184.07330	100.0
185.07681	0.8
190.96300	0.5
228.97943	0.3
271.80643	0.3
466.19537	0.4
504.34439	0.9
522.35492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.5
57.03436	36.2
59.04980	9.0
60.04522	8.4
61.02925	16.3
67.05495	19.3
69.03427	43.7
69.07076	22.5
69.33908	83.8
70.06606	45.4
71.01358	9.4
71.04990	8.0
72.08157	10.6
73.02906	52.3
74.06087	7.7
79.05474	22.9
81.03429	15.6
81.07059	36.2
82.06587	9.8
83.04984	9.6
83.08582	7.8
84.04515	8.4
84.08116	14.0
85.02899	88.3
85.06518	14.8
86.09697	40.3
91.05478	27.7
93.07030	31.0
95.04971	19.1
95.08601	35.0
97.02898	26.9
97.06541	13.1
99.04447	8.9
99.80320	8.0
105.07038	43.2
107.04945	15.8
107.08596	30.4
109.02887	11.8
109.06500	16.5
109.10170	22.8
111.04454	16.2
115.03949	13.4
116.07081	42.0
117.06989	12.7
119.08585	61.8
120.08102	19.6
121.06544	9.3
121.10134	45.5
123.08112	13.6
124.07555	9.2
127.03934	15.3
129.05536	9.0
129.06993	8.7
131.08553	27.3
133.04985	13.3
133.10136	61.9
135.08070	10.8
135.11705	13.7
137.09653	11.1
138.05460	8.5
139.07506	8.8
143.08536	13.3
145.10114	38.6
147.06526	29.8
147.11664	45.3
151.07555	13.4
154.05045	9.7
157.10170	12.4
159.07990	10.8
159.11708	17.3
161.09665	12.2
161.13239	13.0
163.03932	17.2
165.09154	10.2
169.10158	9.2
171.11662	15.2
173.09644	9.7
173.13295	45.8
175.14838	87.6
185.13260	14.3
187.11188	12.7
187.14851	27.3
193.15875	29.1
206.04529	15.7
211.14824	12.7
217.15866	17.5
229.15764	11.3
241.15860	10.2
253.15875	14.5
271.16873	38.5
289.18039	54.2
289.57397	8.1
307.19083	100.0
324.21667	21.2
325.19955	13.5
342.22702	33.4
360.23795	36.8
363.08905	12.9
373.13803	12.6
416.80838	8.2
445.15723	9.4
473.15582	20.1
491.16989	7.9
505.18491	14.6
522.21698	11.0
522.29065	45.7
523.18646	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.2
57.07079	33.5
67.05496	25.7
69.07071	12.0
70.94316	7.7
71.04978	2.9
71.08626	17.3
79.05497	24.5
79.39955	2.2
81.03415	3.9
81.07064	25.4
83.04968	3.3
83.08616	15.5
85.10168	9.7
91.05478	12.4
93.07037	37.9
95.04974	8.7
95.08601	47.8
97.02928	2.9
97.06514	5.0
97.10151	10.0
99.04441	4.7
105.07049	9.8
107.04910	6.6
107.08576	29.9
109.06547	2.7
109.10170	11.9
111.11719	2.8
117.07007	10.6
119.08562	12.1
121.06495	6.6
121.10139	9.6
123.11653	4.1
125.05985	2.7
129.06972	3.1
135.08031	3.4
135.11685	38.3
143.08577	3.0
145.10126	22.5
163.11179	53.6
181.12196	12.6
193.12315	3.0
195.00278	4.7
209.11688	3.2
227.10512	5.1
227.12773	100.0
239.23796	2.8
244.38945	2.4
288.20303	2.8
304.19693	2.9
503.42130	2.8
521.38544	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33278	1.0
51.39607	0.8
55.05499	2.6
56.96335	0.9
56.96564	10.1
57.03436	1.0
57.07056	1.5
67.05499	4.4
68.05019	1.5
69.07045	3.5
74.97578	1.1
78.01709	0.9
79.05495	1.3
81.07062	1.8
83.08604	2.6
86.09698	1.2
91.05477	1.5
92.98624	1.2
93.07031	2.9
95.08611	1.2
97.06460	0.9
97.10141	0.9
98.20683	1.8
102.92612	2.0
103.05548	1.0
103.77406	1.0
104.10720	1.7
107.08565	1.6
109.10173	1.3
110.09681	21.0
111.01467	0.9
111.10039	5.5
111.10663	0.9
118.92118	1.0
125.00015	1.0
131.00171	1.5
136.93123	6.6
149.01190	1.7
154.94157	23.7
154.95419	1.5
167.02272	1.5
172.95233	100.0
177.95786	2.1
184.07382	5.1
190.96275	73.9
195.96794	9.2
208.97302	1.4
210.97879	16.0
212.98425	2.5
213.97861	6.5
228.97849	33.4
230.03911	1.6
230.99368	2.9
246.98891	24.1
251.99445	3.0
270.00500	3.9
285.00488	6.4
293.17865	1.1
303.01544	9.5
311.18982	5.0
311.25674	2.6
326.02942	1.8
329.20007	3.4
391.15714	4.4
409.16776	2.3
410.24365	0.9
429.16974	2.0
447.18115	18.1
458.32797	1.0
465.19263	33.8
488.20547	2.1
503.20886	2.2
506.21994	2.6
521.21863	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
69.03413	1.2
70.06583	2.3
70.83354	0.9
70.83714	2.2
79.05501	0.9
82.17111	0.7
85.02882	2.4
91.05466	1.9
95.04941	3.3
96.08139	0.9
97.02884	1.6
103.05465	59.1
105.07025	4.6
109.02837	0.8
110.32655	0.8
115.05464	0.8
127.03935	0.8
131.04927	100.0
133.06485	3.7
137.02283	0.9
137.05980	5.1
145.05179	0.9
147.04416	1.3
149.01027	0.8
161.05951	9.9
163.03888	1.4
163.07533	28.9
164.07823	0.7
167.06990	1.1
175.07541	1.7
179.07060	1.3
187.07526	1.8
243.06575	0.9
243.27341	0.8
279.10141	0.8
296.61472	0.8
304.08749	1.7
311.12772	0.8
317.66928	0.9
341.10538	0.9
521.20404	1.1
521.31238	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	1.1
70.06580	2.3
71.04002	2.2
72.66602	1.1
74.24364	1.2
81.03420	1.4
84.08138	1.2
85.02905	1.8
91.05841	1.2
95.04964	2.1
95.17359	1.0
98.97600	1.2
103.05466	55.1
103.34234	1.0
105.07032	3.3
105.59554	1.0
115.05395	1.3
119.04965	1.1
131.04932	100.0
133.06497	3.0
135.04288	1.1
137.05994	4.4
138.09119	1.6
154.89052	1.2
161.06003	8.8
163.03923	2.1
163.07544	29.5
166.36485	1.2
175.07541	2.0
179.03459	1.3
187.07535	1.0
299.05978	1.4
301.06204	2.0
521.31140	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
56.05025	1.8
58.06602	1.4
60.08161	16.8
61.39969	0.5
67.05502	2.6
69.07056	1.2
69.36450	7.0
71.07367	7.2
72.58315	0.5
76.93234	0.7
81.07059	2.4
86.09703	50.4
93.07051	0.7
95.08605	0.9
98.98453	4.1
100.60545	0.6
104.10738	100.0
109.10149	1.2
116.71679	0.6
124.99079	1.4
124.99999	28.6
143.87871	0.6
163.01547	0.8
184.07332	99.7
203.91774	0.7
258.11060	0.9
287.71774	0.7
337.27335	0.7
402.24118	0.6
502.32953	7.5
520.26514	1.1
520.33929	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1286
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.92122	0.8
53.03927	1.5
55.01873	1.3
55.05508	2.5
57.03437	1.0
60.49465	0.7
62.06063	0.8
67.01868	3.8
67.05500	4.9
67.63762	0.7
68.99796	3.6
69.03426	5.1
69.07063	2.9
69.37534	0.8
69.51477	4.4
69.51903	2.7
70.06584	1.3
71.04984	4.1
73.76781	0.7
79.05493	3.6
81.03418	4.9
81.07061	10.2
82.22005	0.9
83.05016	1.1
83.08632	0.8
85.02905	7.3
86.09701	3.3
87.00825	3.2
91.05460	4.0
93.07023	5.4
95.04973	2.3
95.08616	7.3
97.02882	4.3
97.06527	2.1
97.10217	1.0
99.04448	2.2
99.08129	0.9
105.01869	1.5
105.07013	2.7
107.04974	3.6
107.08586	2.9
109.02902	4.4
109.06494	1.3
109.10157	4.7
117.07014	1.0
119.04945	6.3
119.08569	2.8
120.08108	3.0
121.06503	2.5
121.10088	3.9
123.04407	1.8
123.08008	1.0
123.11720	1.8
127.03918	5.1
129.01849	1.3
131.04868	1.1
131.08572	1.3
133.10143	2.0
135.04416	1.3
135.11719	1.9
137.02335	11.3
137.05995	2.8
137.09555	1.1
143.08507	1.1
145.04956	1.2
145.10156	2.0
147.04405	25.2
147.05521	1.6
147.11690	1.4
149.13257	1.6
151.07573	1.0
153.01822	69.0
156.15649	0.9
159.02921	2.0
159.11731	1.5
161.09619	0.9
161.13257	0.9
163.03908	3.9
163.07596	1.0
163.11096	1.0
165.09047	1.8
171.02885	41.2
175.14771	0.9
179.03395	2.4
181.04944	1.2
189.05614	0.8
195.02946	1.3
231.04881	1.0
237.22136	3.2
255.23187	2.1
271.06015	1.1
273.07568	100.0
273.24307	0.8
274.07852	1.4
315.08704	0.8
341.13525	1.0
521.20215	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.8
58.06358	0.3
58.06607	0.6
60.07880	0.5
60.08159	6.4
67.05486	0.5
70.01529	0.5
70.01933	1.5
71.05093	0.3
71.07372	3.1
81.07063	0.4
86.09700	30.3
88.41901	0.3
98.21396	0.5
98.98457	2.9
104.10752	3.0
124.99995	21.7
143.01039	0.4
184.07329	100.0
185.07697	0.7
207.99995	0.3
258.10947	0.5
296.05441	0.3
502.32639	1.0
520.33813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
54.26262	0.6
55.05506	3.2
56.05027	1.5
57.27023	0.5
58.06609	1.0
60.04519	0.6
65.03928	0.7
67.05498	8.1
68.05016	0.8
69.03418	2.6
69.07055	3.5
70.06590	9.5
71.04989	0.8
71.57254	0.9
72.08138	2.0
73.02914	0.6
73.35184	0.7
74.06075	2.5
79.05498	5.6
81.03406	0.8
81.07059	5.7
82.06564	0.9
83.04964	4.2
84.04488	0.6
84.08148	3.5
85.02921	2.8
86.09701	1.9
87.04487	0.7
91.05424	4.8
93.07040	4.3
94.06561	0.9
95.04968	2.9
95.08595	5.8
96.08119	4.9
97.02893	1.4
98.06052	0.7
98.09692	3.5
102.05518	0.6
103.05479	2.5
105.07013	2.5
107.04955	1.7
107.08589	3.3
108.08130	2.2
108.15941	0.8
109.02853	0.7
109.06491	0.9
109.10139	2.1
110.06036	0.6
110.09676	1.9
111.04462	3.6
114.09145	3.0
116.07057	0.7
117.07059	0.9
119.08569	1.9
120.08123	0.6
121.10136	1.6
124.07556	0.7
127.03915	1.2
128.07069	0.8
129.05508	1.0
131.04913	3.8
131.08563	1.3
133.10135	1.8
135.11711	0.8
137.02397	0.6
137.05963	2.0
138.12770	1.8
139.03937	0.9
145.04973	0.8
147.04366	1.1
147.11681	1.2
149.70700	0.5
150.12837	0.6
151.07524	0.7
152.14413	0.8
161.05986	0.8
163.03946	1.3
163.07607	1.3
167.05495	0.7
179.06996	0.8
206.19049	0.8
213.12354	1.4
222.22168	0.7
225.34117	0.6
246.22090	0.8
248.23732	12.0
250.21645	14.3
251.22005	0.6
266.24811	3.9
268.22705	3.4
274.21616	5.5
284.25876	1.6
286.23801	0.7
292.22681	7.1
299.06216	0.7
304.19055	0.8
310.17743	1.7
310.23721	14.3
310.27307	0.8
311.12918	0.8
328.24820	6.0
346.25836	3.5
352.24875	1.8
358.21826	1.0
370.25797	1.2
438.28540	2.6
448.27368	1.2
456.29605	2.0
466.27914	6.7
474.30740	1.0
484.29068	5.7
502.30133	19.6
520.31177	100.0
521.12390	1.0
521.31360	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.2
70.88160	2.0
79.05492	1.8
85.02882	2.3
89.03907	2.0
91.05836	1.7
98.97569	1.0
103.05461	8.6
105.43056	0.9
107.04944	1.8
120.08103	100.0
121.08418	1.2
131.04927	2.5
135.04416	4.0
136.07605	1.3
145.02834	2.6
147.03113	1.0
147.04376	0.9
149.05986	2.2
163.03902	31.7
164.04185	1.0
166.08638	45.1
183.52533	1.0
237.02858	1.9
300.06143	1.1
430.91614	1.0
441.26764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05315	0.8
55.05514	8.7
57.03432	8.4
59.97666	0.7
60.04513	1.3
65.03923	1.5
67.05502	35.7
69.07070	9.6
69.09203	0.7
71.04991	1.5
71.58401	1.1
76.26118	0.8
79.05493	17.0
81.07056	27.3
83.08606	3.4
86.09707	4.3
88.03989	8.2
91.05462	10.4
93.07039	18.5
95.04966	2.6
95.08604	23.1
97.06511	1.6
98.98450	6.8
105.07020	5.5
106.05015	1.8
107.08589	8.1
109.06528	0.8
109.10140	8.0
117.06991	2.0
119.08600	4.2
121.10142	6.6
123.11673	2.8
124.93778	2.1
124.99956	2.9
127.00579	0.8
131.08536	2.3
133.10117	3.1
135.11655	3.4
139.11147	0.7
145.10127	2.5
147.11687	1.4
149.13145	1.0
159.11678	1.2
161.13258	1.1
167.97990	0.9
184.07335	9.2
185.07710	3.8
186.07736	1.8
187.14778	0.7
261.22073	1.4
335.25778	100.0
336.26202	4.0
348.25528	2.0
520.23834	2.4
521.23737	1.0
536.50909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01854	4.0
55.05497	10.5
65.03535	3.8
67.05512	9.0
69.03423	13.0
69.07065	8.8
70.93726	5.3
70.94041	6.0
71.04977	13.0
78.66805	3.3
79.05491	14.1
81.03413	9.6
81.07069	19.9
83.08616	5.0
84.08133	4.1
85.02893	16.4
91.05487	14.0
93.07047	24.9
95.04970	5.5
95.08604	20.2
97.02904	9.6
97.06508	6.5
99.04430	4.2
99.08101	5.3
105.01888	5.6
105.07014	30.0
107.08595	13.0
109.02856	7.9
109.06499	7.2
109.10166	13.5
117.07023	3.7
119.08588	17.0
121.10129	15.1
121.41152	4.2
123.11726	6.6
125.09619	11.5
127.03918	9.7
127.11226	4.1
133.10123	32.4
135.11754	8.0
137.05968	6.5
143.08556	4.0
143.10660	13.2
145.10135	10.8
147.08069	5.2
147.11720	4.8
147.46338	4.0
149.02374	4.1
149.05972	6.1
149.13272	14.3
151.11200	5.7
152.07030	5.4
159.11659	7.5
161.02310	10.7
161.03584	3.4
161.06004	4.4
161.09633	4.2
161.13202	6.8
163.07538	36.4
163.11295	4.8
165.09102	3.7
167.03395	5.4
167.07115	4.6
167.14313	28.5
179.03392	4.7
181.08583	27.5
189.03947	4.4
201.16411	6.2
203.07013	100.0
203.08769	6.9
204.07376	88.0
207.10176	7.3
219.17451	16.9
221.08101	9.3
222.08438	6.9
230.12671	3.4
231.04988	5.4
237.14854	11.5
237.18503	4.2
252.23164	5.3
276.23279	8.4
298.23590	5.2
322.23779	11.5
339.12320	4.7
340.12625	12.3
349.58835	4.0
352.62643	3.9
437.91299	4.1
476.09393	3.8
520.32324	5.2
520.90149	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	16.1
55.01863	13.0
55.05493	31.3
57.03431	15.9
61.02898	13.3
67.05508	67.1
69.03430	50.7
69.07069	38.6
69.47369	70.8
70.06580	9.9
71.04976	17.8
79.05486	51.8
81.03400	31.5
81.07043	100.0
83.04978	13.2
83.08605	20.6
85.02908	77.1
85.06539	15.8
86.09685	11.4
87.00838	13.4
91.05410	52.2
93.07034	67.9
95.04947	15.5
95.08605	93.4
97.02888	33.1
97.06519	25.5
97.10152	15.1
98.21513	16.0
99.04432	11.3
99.08098	8.4
101.06035	23.7
105.01862	19.1
105.07016	48.0
107.04955	26.9
107.08601	49.4
109.02882	36.6
109.06504	19.5
109.10165	40.5
111.08058	9.8
115.05405	9.9
117.07057	11.0
119.04948	14.7
119.08574	47.6
121.06528	20.0
121.10168	51.2
123.04436	23.2
123.08061	16.1
123.11682	27.5
125.09624	12.7
127.03888	41.1
129.06953	10.6
131.08592	18.0
133.02869	9.8
133.10162	45.1
134.20561	8.8
135.11688	40.7
137.05969	41.7
145.04936	12.0
145.06497	11.3
145.10089	11.0
147.04465	40.0
147.11702	20.1
149.04567	9.1
149.05939	8.8
149.13225	12.2
157.06465	9.3
157.10168	11.1
159.11668	14.2
161.05984	15.3
161.13295	19.5
163.03909	28.4
163.07542	18.3
165.12860	10.2
167.03406	32.1
167.05539	20.6
167.06952	15.1
173.09581	8.8
173.13206	8.5
175.07573	13.0
175.14868	11.8
178.92296	8.5
187.07526	13.8
190.06404	10.0
191.07018	9.3
195.13918	10.3
201.05611	13.9
214.27167	8.8
217.19484	55.8
221.08154	10.6
223.14597	7.9
235.20552	19.9
253.21614	25.3
271.06030	51.3
271.13235	12.1
271.22629	17.4
276.57489	8.4
283.03186	8.8
299.06055	17.8
321.11270	10.8
323.09357	8.5
323.12662	53.6
339.12360	18.7
519.19891	25.5
519.30786	15.4
535.07556	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43821	0.4
55.05505	1.1
65.09908	0.3
67.05512	0.9
69.03430	1.6
69.07059	0.5
70.06583	0.9
70.70044	0.7
70.70383	0.9
71.04994	0.6
79.05499	1.0
81.03419	1.0
81.07056	1.4
84.05046	0.4
84.08150	0.5
85.02917	1.6
86.09711	8.4
91.05497	1.4
93.07052	1.3
95.04978	1.1
95.08612	1.1
97.02905	1.4
97.06544	0.4
98.97568	0.5
105.07038	1.2
107.04974	1.7
107.08601	1.6
109.02882	0.5
109.06550	0.6
109.10160	0.7
116.98614	0.5
119.08603	1.1
121.06475	0.6
121.10136	1.0
123.04466	0.9
123.08057	0.6
123.11806	0.3
125.09627	0.5
127.03930	0.9
129.07050	0.5
131.08511	0.6
133.06488	0.4
133.10150	1.3
135.11679	0.6
137.05989	0.9
137.09663	0.5
145.10130	0.6
147.11714	0.9
149.01257	0.6
151.54585	0.4
158.99648	0.4
161.05989	0.6
165.09166	0.4
165.12791	0.4
167.03340	0.4
167.05606	0.6
167.06985	0.4
175.07547	0.5
177.00644	0.4
189.09235	0.4
197.93327	0.4
203.05327	0.9
203.07083	2.6
207.13843	0.5
221.08130	1.0
235.13326	0.4
243.08942	1.3
259.07928	1.0
268.10718	2.1
283.06314	0.4
283.09698	0.4
299.06070	0.9
321.11282	0.4
339.12296	0.9
339.17984	0.6
357.13855	0.7
357.18878	2.7
415.15970	0.4
434.22842	3.3
459.22299	0.4
487.21762	1.0
519.24170	100.0
520.24310	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1863
Annotation	Phellamurin
Peak:m/z	Relative Intensity
53.03937	0.9
55.01865	0.6
55.05502	0.8
57.03422	1.0
61.02905	0.9
62.53950	0.5
65.11716	0.5
66.46581	0.6
67.05479	0.8
69.03429	3.1
69.07077	0.8
69.43452	5.3
71.04976	1.3
73.60439	0.5
79.05483	0.7
81.03403	2.3
81.07061	3.1
85.02905	8.7
86.03196	0.7
87.04508	0.6
91.05464	2.1
93.07037	1.4
95.04960	1.1
95.08603	1.9
97.02888	3.8
97.06526	0.7
98.21486	1.1
99.04438	2.8
103.03928	3.1
104.04271	0.6
105.03428	0.6
105.07003	1.4
107.04935	1.3
107.08572	1.3
109.02865	1.5
109.06504	1.5
109.68925	0.5
113.50024	0.6
119.08559	2.4
121.06518	0.5
123.04440	0.7
127.03925	5.4
128.04254	0.9
128.06276	0.7
129.07005	1.3
131.08568	0.6
133.02779	1.0
133.06520	0.8
137.05962	2.5
145.04930	2.6
145.10123	0.8
146.05247	0.8
147.08029	4.2
149.02304	3.0
149.05978	0.6
151.03885	1.0
157.06474	0.8
159.08159	0.6
161.02357	9.3
161.06007	4.7
163.03914	2.9
163.06015	1.9
163.07452	0.7
165.09129	0.8
167.03386	4.6
175.03976	1.0
175.07558	2.9
179.03333	0.7
185.05981	3.3
196.10405	0.7
203.07030	100.0
204.07332	1.1
221.08101	5.5
253.21439	0.7
267.06500	1.8
271.06085	1.6
295.99591	0.6
299.06287	1.4
321.11203	1.5
339.12225	8.6
339.15790	0.9
357.12994	0.9
357.28265	1.1
390.48865	0.6
395.15509	0.7
484.73709	0.7
519.18408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95976	0.4
55.01852	0.6
57.03424	0.6
61.02911	0.5
64.05582	0.4
64.25969	0.4
65.03932	0.5
67.05505	0.7
69.03421	1.6
69.89041	2.2
70.35659	0.4
76.05516	0.4
79.05489	0.7
81.03406	0.9
81.07040	1.5
85.02900	4.2
88.80999	0.5
91.05461	3.7
93.07037	0.8
95.01324	0.6
95.04953	1.5
97.02876	1.2
100.11229	0.5
105.03386	0.5
105.07015	1.2
107.04973	0.7
109.02837	0.5
109.06499	1.1
115.05452	0.5
116.06246	0.6
117.07006	0.7
119.04952	2.9
119.08559	1.5
121.06495	0.5
123.04430	9.1
127.03887	1.2
129.06987	1.5
129.50517	0.4
132.05704	0.5
133.02814	0.7
133.06465	0.6
137.06000	0.6
143.08554	0.6
144.05696	0.7
145.06430	0.5
147.04424	0.6
147.08047	3.7
149.02373	2.6
149.04778	0.9
149.05980	18.2
151.03935	1.1
151.07603	0.5
157.06479	0.7
160.05144	0.6
161.02348	9.0
161.05957	3.9
161.18950	0.4
163.03926	3.1
163.07568	2.5
167.03413	4.1
171.08054	1.1
173.06056	0.5
173.09534	0.5
175.03897	1.2
175.07533	4.7
179.07043	0.5
185.05977	4.0
187.07451	0.6
188.04646	0.7
199.07567	0.6
203.07028	100.0
203.10698	4.1
204.07417	1.1
205.05066	0.4
221.08266	3.5
221.11708	17.6
247.13313	1.6
253.08475	0.5
267.06564	2.1
271.05832	1.0
281.08167	2.1
281.11035	0.4
285.11139	2.4
299.06299	0.8
299.09119	3.2
321.11200	1.1
339.12262	10.7
339.15997	1.8
340.12296	0.6
357.13058	0.6
357.16937	1.0
383.11142	0.5
384.14954	0.4
397.12671	1.3
409.12619	0.5
447.16364	3.1
496.31677	0.5
501.21249	0.6
519.16382	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
65.03917	0.8
67.05225	0.5
67.05497	6.1
68.99789	1.4
69.03408	1.8
69.07066	0.6
69.77831	1.4
69.78251	2.1
78.87062	0.7
79.05475	1.3
81.03416	0.7
81.07036	1.2
83.04991	0.8
89.08743	0.5
91.05479	2.0
93.07037	0.9
95.04966	8.9
95.08598	1.2
105.07046	1.8
107.04951	4.6
109.06515	0.7
115.05465	0.7
117.06994	0.6
121.06499	0.7
123.04416	100.0
133.06549	0.6
135.08031	2.3
137.05942	0.7
141.06886	0.5
145.06465	0.8
147.04407	1.0
149.06027	3.3
153.06902	0.7
157.06517	0.6
161.05966	2.2
163.03883	11.6
163.06142	0.7
163.07529	13.2
167.03400	2.2
167.05565	0.6
167.07007	1.2
173.05920	0.9
179.08615	0.6
185.05986	0.9
187.07477	1.0
189.05499	0.7
191.03479	1.0
191.07053	0.8
203.06953	1.2
205.04945	4.4
207.06531	1.1
207.10107	1.8
211.07555	1.9
213.05362	1.1
213.09195	0.7
225.09082	1.4
229.05028	0.7
237.09109	1.3
239.06996	1.1
249.09329	0.7
255.06601	2.5
257.07962	0.6
263.07211	0.9
275.09305	0.8
281.08047	27.5
283.05945	1.1
295.09586	0.7
299.05966	2.3
299.09094	55.4
307.05872	1.0
325.07040	13.1
343.08081	9.5
347.12909	0.9
357.09790	0.8
363.08572	1.1
365.10153	3.6
373.10922	0.8
379.11737	5.4
381.09958	1.1
383.11163	1.7
389.10187	1.6
391.11597	2.8
397.12772	11.1
409.12775	6.3
452.72009	0.6
501.15677	2.3
504.36359	0.8
519.16461	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
52.64679	0.2
53.03927	0.2
55.05511	0.4
59.25186	0.2
65.03936	0.6
67.01833	0.3
67.05486	0.4
69.03426	2.3
71.57951	0.4
76.14223	0.2
77.03904	0.3
79.05492	2.5
81.03394	0.4
81.07044	0.5
86.32144	0.2
89.03896	0.6
91.05398	1.3
91.65562	0.2
93.07036	0.8
95.04950	1.0
95.08598	0.4
104.86976	0.2
105.07004	0.5
107.04949	2.2
107.08579	0.3
115.05450	0.3
117.07017	0.5
119.04934	0.3
119.08587	0.8
123.04430	1.8
128.06270	0.3
129.07002	0.4
133.06439	0.3
135.04391	0.4
137.02356	0.3
137.05981	0.6
145.02837	0.9
146.57776	0.2
147.04385	0.7
147.08034	0.8
149.06013	0.6
160.05273	0.5
161.02289	0.3
161.06017	0.5
163.03893	100.0
164.04248	0.7
167.03401	0.6
171.04326	0.2
172.92081	0.2
175.07495	0.7
179.03461	0.3
179.07138	0.5
179.08542	0.3
181.04939	1.9
185.05977	0.3
189.07069	0.2
192.04123	2.4
203.07034	4.6
203.10690	0.3
205.04953	2.5
207.08101	0.4
210.06645	0.4
213.05502	1.3
216.61005	0.2
225.09119	0.7
229.08601	2.3
234.06512	0.3
235.07448	0.5
239.07062	1.0
263.07141	0.7
281.08066	52.8
282.08435	0.8
295.09631	0.3
299.06152	0.6
299.09094	9.0
325.07056	1.4
325.11398	0.3
327.60645	0.2
339.12173	0.4
343.08246	0.6
347.13138	0.3
365.10107	0.9
383.11417	1.6
391.11804	0.6
409.12808	1.8
488.42508	0.3
501.15381	4.7
519.16406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53721	0.2
53.03930	0.2
55.01862	0.3
58.64334	0.2
65.03938	0.5
65.37695	0.2
67.01849	0.4
68.99786	0.4
69.03425	2.5
69.82145	1.0
69.82562	0.5
77.03916	0.2
79.05492	1.9
80.23254	0.2
82.43585	0.2
83.86541	0.2
89.03922	0.7
91.05460	0.9
93.07016	0.3
95.01310	0.3
95.04958	1.0
98.20750	0.3
105.04514	0.2
107.04940	2.0
117.07020	0.4
119.08575	0.5
123.04427	1.3
129.06947	0.3
135.04414	0.7
137.05995	0.3
145.02835	1.0
145.57922	0.2
147.04385	0.5
147.08054	0.6
149.05959	0.4
158.60306	0.2
160.05182	0.7
161.05899	0.5
163.03893	100.0
164.04263	0.7
167.03503	0.2
175.07568	0.7
178.07809	0.4
179.06984	0.3
181.04958	2.0
185.06012	0.2
187.70021	0.2
192.04141	2.3
201.09161	0.2
203.07033	4.4
205.04941	2.4
207.06395	0.3
210.06625	0.3
211.07483	0.3
213.05495	0.9
225.09050	0.7
229.08585	2.1
235.07472	0.4
239.06993	1.3
247.09377	0.3
253.08456	0.3
263.06982	0.7
281.08066	53.8
282.08408	0.8
283.09537	0.2
299.09143	9.6
325.07025	1.1
339.12247	0.7
343.08148	0.5
357.13919	0.3
365.10046	0.5
383.11209	1.9
391.11816	0.4
409.12784	2.1
501.08624	0.3
501.15530	4.5
504.92334	0.2
519.16388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28050	2.5
51.65510	2.4
55.05507	6.5
57.03433	3.0
60.08174	12.8
67.05511	22.8
69.07065	5.4
70.39691	8.9
71.07369	12.5
79.05502	14.4
81.07063	24.9
82.28635	2.1
83.08619	7.2
86.09705	51.2
86.10179	4.5
91.05481	8.5
93.07047	21.4
95.08624	22.9
98.20843	2.6
98.98488	7.6
104.10754	91.3
105.07027	7.7
107.08616	13.4
109.10165	12.0
113.00022	16.5
114.34999	2.6
117.07032	2.7
118.45345	2.6
119.08600	5.6
121.10175	12.4
123.08083	3.8
123.11694	4.1
124.99998	31.6
131.08578	7.1
133.10153	4.5
135.08052	4.0
135.11697	7.6
136.08441	2.8
141.84430	2.4
145.10136	9.7
147.11691	6.4
149.13269	7.3
149.54179	2.3
159.11736	3.9
161.13275	4.0
173.13281	2.5
179.14323	4.6
184.07358	100.0
229.19495	13.6
237.26956	2.7
247.20601	25.6
269.72998	2.7
321.24319	5.6
332.26730	8.7
339.25351	3.1
352.71942	2.8
406.30441	12.0
500.31366	8.6
518.32556	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1136
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.43159	0.1
67.01857	0.6
67.05488	0.1
68.99776	0.5
69.03412	0.2
69.50084	0.2
69.50497	0.6
78.88966	0.1
81.03415	0.2
81.07050	0.2
85.02892	0.3
91.05453	0.5
93.07069	0.1
95.08633	0.2
97.02845	0.1
99.04413	0.1
103.03922	0.1
105.07026	0.1
107.04935	0.2
107.08605	0.2
109.02832	0.1
119.04939	2.0
119.08581	0.1
121.02842	0.6
121.06503	0.1
121.10159	0.1
122.15911	0.1
127.03896	0.3
129.01855	0.2
137.05971	0.3
145.02795	0.6
145.06393	0.1
153.01820	4.3
160.26213	0.1
163.03888	0.5
163.06015	0.1
171.02892	0.9
187.03946	0.2
203.07048	0.6
221.08028	0.2
225.05461	0.2
229.04950	0.4
243.06433	0.3
247.06166	0.2
254.79651	0.1
271.05994	100.0
272.06335	3.3
339.12161	0.1
346.80084	0.1
423.46820	0.1
433.11267	0.9
519.11163	1.2
519.30969	0.1
533.13043	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01862	1.8
55.05522	1.5
57.03423	3.2
57.39914	1.6
61.02925	4.1
67.05502	2.7
69.03427	13.7
69.26553	10.2
69.26977	7.7
71.04989	5.1
73.02920	4.6
79.05456	1.5
81.03413	20.8
81.07042	3.0
83.04990	1.7
83.08630	2.4
85.02899	69.2
86.09706	1.8
91.05474	2.0
93.07036	1.7
95.04977	2.6
95.08609	4.1
97.02295	3.0
97.02888	31.9
99.04449	42.0
103.03939	68.0
103.05431	2.2
105.06996	3.0
107.04958	3.9
107.08607	1.6
108.04497	2.9
108.17544	1.5
109.02874	18.9
109.10194	2.6
119.08607	1.6
127.03910	100.0
131.08557	1.9
145.04955	60.9
147.08051	2.0
154.06268	4.7
161.02293	2.0
163.03966	2.2
163.06026	39.4
163.07536	5.1
169.04935	2.3
187.06042	5.7
195.10158	14.8
203.07022	19.1
205.07019	3.2
220.07031	2.1
271.07950	8.5
278.24786	9.5
285.11218	3.4
286.07312	1.5
289.08954	3.3
307.10165	2.5
338.26923	5.4
356.27902	13.9
406.08719	1.8
526.41315	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23143	0.4
54.74401	0.4
56.05025	0.7
60.08161	6.1
70.29790	0.6
70.30141	1.7
71.07381	3.2
86.09708	33.5
98.98457	3.9
104.10735	3.2
125.00012	24.4
148.25348	0.4
184.07349	100.0
185.07732	0.8
220.20142	0.5
500.31232	0.6
518.32465	1.2
522.02185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28148	0.5
55.05494	0.6
56.05016	1.9
57.03405	0.6
58.06601	1.7
60.08163	15.8
67.05496	1.8
70.04339	3.1
71.07362	5.8
76.97924	0.5
79.05476	1.7
81.07047	2.0
86.09705	49.6
93.07034	1.6
95.08601	1.6
97.94181	0.5
98.98459	4.8
104.10740	96.2
105.11095	0.7
107.08573	0.8
125.00003	28.5
143.01054	0.7
184.07336	100.0
223.06042	0.6
258.11115	0.7
292.20380	0.6
440.00003	0.7
473.31000	0.6
500.31396	9.2
518.32422	18.8
519.32349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
53.23494	1.5
54.03479	2.0
55.01862	8.6
55.05500	3.5
57.07064	6.2
59.04987	2.2
62.50794	1.7
65.03940	2.2
67.05490	8.3
69.03429	12.5
69.07065	10.4
70.02937	6.2
70.06575	6.6
71.04990	3.5
71.57784	2.2
72.04520	20.5
72.08158	4.1
73.02924	14.4
75.14384	2.0
80.47327	1.9
81.03413	21.2
81.07060	4.6
82.06652	2.0
83.04973	7.4
84.04491	2.2
84.08139	2.8
85.02893	12.4
85.06529	7.9
86.09701	9.7
87.08125	3.1
90.05554	34.5
91.05450	1.8
95.04981	12.8
96.08120	4.5
97.02888	14.6
97.06511	1.8
98.02404	12.2
99.04440	4.9
100.03973	7.2
103.03943	2.6
103.07577	4.0
109.02879	27.7
112.07616	2.4
113.05983	5.5
115.03908	3.5
115.94076	2.1
116.03453	22.0
118.04977	2.6
124.07578	25.1
127.03938	14.2
128.07098	3.4
131.07066	3.3
132.06546	9.3
137.02312	3.6
138.05469	4.9
142.08630	19.9
145.04958	8.1
152.07101	1.9
154.08659	2.1
160.09712	4.4
163.03960	4.3
166.08641	4.3
172.09703	6.2
174.11229	8.0
181.04910	4.2
184.09711	34.4
184.11223	2.1
188.09186	6.1
198.07591	4.7
199.05966	5.3
202.10748	100.0
203.11255	2.4
209.56331	2.2
211.09618	10.8
212.16475	9.8
216.08667	5.0
217.06999	4.6
220.11819	17.3
230.10181	11.0
234.09660	10.3
244.11726	2.7
262.12885	21.5
266.21237	1.9
270.07498	3.2
299.06104	2.9
310.12720	8.9
320.18567	2.4
325.68494	1.7
328.13928	43.8
346.14890	7.4
356.19995	3.7
364.15985	6.0
374.21646	6.9
518.30054	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63942	0.2
65.03926	0.7
66.01959	0.3
69.03417	0.6
69.77515	1.5
70.06590	0.8
72.08153	0.3
81.03406	0.4
81.07075	0.4
83.04984	0.3
85.02901	1.4
86.09698	0.6
91.05476	8.0
93.07063	0.4
95.04971	0.4
95.08595	0.3
98.21451	0.3
108.01667	0.3
111.04427	0.3
119.04935	20.7
127.03937	0.6
128.07120	0.4
142.08661	0.4
147.04399	100.0
148.04736	1.1
159.33315	0.3
163.03922	0.4
202.10867	0.4
264.23254	0.6
266.21176	0.4
290.07471	0.3
297.12421	0.8
308.22125	0.4
326.23325	0.5
339.10803	0.5
356.20142	0.3
378.14227	0.5
395.85580	0.3
430.04602	0.3
482.28030	0.3
500.28259	0.6
518.21130	1.3
518.29498	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.91999	1.7
53.03942	3.6
55.05509	13.9
57.03424	5.3
57.07066	3.0
67.05500	37.8
67.05836	3.1
69.07061	16.2
71.04361	4.0
73.24666	1.8
79.05491	28.0
79.05907	2.9
80.10817	1.8
81.04281	1.6
81.07056	37.1
83.08622	7.6
85.06539	2.9
91.05475	22.5
91.50295	1.9
93.07042	34.5
95.04967	3.6
95.08604	32.0
95.76194	1.5
97.06551	2.0
97.10181	3.8
105.07031	30.2
107.08596	19.8
109.10148	15.0
112.99997	2.8
117.07027	10.9
119.08578	27.2
121.10150	15.8
123.08060	2.7
123.11675	2.5
125.09683	2.1
125.10755	1.7
129.07011	4.6
131.08562	17.5
132.84389	2.2
133.10117	19.9
135.11714	9.5
137.09587	2.4
139.11156	1.7
143.08589	6.7
145.10132	17.6
147.11684	17.7
149.09720	1.6
149.13268	9.1
157.10130	7.0
159.11674	14.8
161.13306	9.4
163.11191	2.3
171.11737	6.0
173.13326	10.4
175.14870	3.0
183.11717	2.8
185.13289	3.3
187.14880	7.1
197.13182	2.4
199.14838	6.2
201.16455	3.1
215.17973	2.3
233.19156	2.0
241.17873	3.7
245.19145	2.6
259.20667	3.5
273.22214	1.9
287.24084	1.9
299.23685	2.4
313.25238	3.5
331.26587	2.3
333.23950	2.6
405.30048	3.9
407.33224	5.4
425.34140	17.7
443.35214	6.6
499.37936	21.2
515.16791	1.7
517.38867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	50.8
57.07063	19.4
64.22662	17.2
67.05508	100.0
69.07050	34.6
71.04999	19.4
71.58784	22.8
79.05493	84.9
81.07055	85.2
83.04939	23.3
91.05488	83.9
93.07048	96.1
95.04965	32.1
95.08591	80.7
97.06596	18.1
97.10172	23.2
105.07008	85.2
107.08572	30.5
109.06539	15.2
109.10140	35.5
113.00020	38.4
117.07029	29.7
119.08562	46.7
121.10129	43.8
123.08112	20.7
129.06984	31.3
131.08588	23.2
133.10081	39.2
135.08055	26.9
137.09584	21.0
139.11168	38.8
145.10129	20.1
147.11668	60.2
153.12701	17.0
159.11761	18.1
171.11623	34.3
172.55815	16.9
203.12732	48.8
247.20764	16.4
269.04791	15.5
275.20007	74.1
293.20932	22.1
405.29938	27.0
429.32214	20.9
517.36981	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67728	21.5
57.36417	22.5
59.09529	23.4
60.25763	23.6
67.05504	55.6
68.41435	22.2
69.07049	67.2
70.63525	88.7
70.76263	24.7
72.48703	20.4
79.05486	98.7
81.07056	100.0
90.87275	21.1
91.05472	52.6
93.07030	94.5
95.04978	34.1
95.08613	79.9
97.06515	26.7
105.07011	37.4
107.04903	23.5
107.08617	47.2
113.00037	65.4
119.08575	50.3
121.10147	33.1
131.08554	34.1
132.86993	23.0
133.10066	37.2
135.08069	45.0
145.10120	55.0
147.11732	46.2
275.20193	93.6
293.21027	35.5
374.79596	24.8
405.30029	45.4
517.37518	46.1
522.90247	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03934	3.5
55.05511	17.2
57.03429	6.1
57.07058	2.8
65.03904	1.6
67.05505	36.8
69.07066	20.3
71.04988	1.8
71.32288	3.6
72.25351	1.4
73.41409	1.3
79.05488	30.7
81.07055	49.1
83.08617	10.5
85.06553	1.9
88.87742	1.6
91.05478	26.3
91.06014	2.0
93.07038	39.7
95.04985	4.5
95.08604	34.1
97.06523	4.3
97.10162	5.6
99.08099	2.0
105.07030	30.5
107.08592	26.0
109.06516	2.3
109.10153	12.2
111.08094	1.7
113.00027	7.5
117.07020	10.1
119.07785	2.8
119.08580	31.0
121.10144	19.4
123.08091	3.9
123.11716	5.9
125.09599	1.8
129.06990	6.2
131.08549	23.4
133.10129	20.1
135.08020	2.5
135.11690	13.5
143.08528	7.1
144.52377	1.4
145.10127	21.2
147.11688	19.7
149.13271	8.4
153.12695	1.6
155.08545	3.2
157.10115	8.5
159.10428	2.3
159.11673	18.0
161.02362	3.5
161.13249	8.8
163.14890	2.8
167.14645	1.7
169.10095	2.0
171.11697	7.2
173.13243	12.3
175.14851	4.5
177.12714	1.5
179.14284	3.7
183.11697	3.4
185.13318	6.2
187.14847	6.4
189.16435	1.5
197.13297	3.1
199.14919	4.1
201.16409	1.7
211.14928	2.1
213.16435	2.8
225.16489	1.8
241.18066	3.9
247.20656	1.6
247.98975	1.6
259.20572	5.0
261.22229	1.6
287.23886	2.4
301.25323	1.7
313.25189	2.3
327.26929	2.9
331.26437	5.7
333.24179	2.0
405.30008	4.6
407.33218	4.2
425.34045	17.4
433.30353	1.9
443.35248	8.6
461.36032	2.3
481.36755	2.4
499.37900	19.5
517.38898	100.0
518.39001	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37786	6.8
53.38616	6.3
55.01873	6.6
55.05507	28.8
56.03534	6.6
57.07074	8.2
60.30660	6.9
65.96092	6.5
67.05502	78.5
69.07056	22.3
70.65287	22.4
79.05488	41.6
81.07047	100.0
83.08614	26.4
85.02937	6.4
91.05460	29.8
93.07050	40.3
95.04978	7.7
95.08605	75.1
97.10181	15.9
105.07018	28.2
107.08595	28.6
109.10165	39.6
113.00047	30.5
119.08601	17.4
121.10130	25.8
123.08029	7.8
123.11702	20.4
131.08574	9.1
133.10123	28.8
135.11707	13.2
145.10141	7.7
147.11703	16.7
149.13226	10.7
157.10133	7.5
158.48666	9.0
161.13264	16.8
163.14879	11.4
175.14900	10.2
179.14352	9.2
187.03574	6.5
230.84984	6.4
245.22604	39.3
263.23761	34.8
331.26288	12.7
337.27423	24.5
401.26300	6.3
405.29993	13.5
407.28198	7.9
517.36774	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73030	1.7
68.15449	1.8
69.03416	2.4
70.06586	2.8
71.57208	2.1
85.02847	2.6
89.03901	4.2
97.02831	2.4
107.04893	2.4
112.07607	4.2
117.03368	6.0
135.04398	14.1
140.07094	2.2
145.02820	9.6
156.49362	2.3
163.03894	100.0
164.04094	1.9
220.75302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
55.05508	10.5
57.03425	4.4
57.07051	3.7
67.05177	1.5
67.05504	20.2
69.07067	13.1
71.04999	1.7
71.08612	5.1
71.58768	1.4
79.05494	11.3
81.07053	24.9
83.04961	1.9
83.08617	5.0
85.06539	2.6
86.09679	2.3
91.05472	9.3
93.07033	14.2
95.04956	2.6
95.08593	19.9
97.06499	2.9
97.10149	2.8
99.08087	2.9
101.50217	1.1
104.10732	2.9
105.07018	12.3
107.08578	11.3
109.06501	12.7
109.10159	8.9
111.08049	2.0
113.00010	100.0
117.07000	3.9
119.08581	13.8
121.06422	1.7
121.10141	9.7
123.08056	29.4
123.11711	2.7
125.09572	2.1
127.74112	1.2
127.86609	1.2
128.06216	1.6
129.06966	2.6
130.35474	1.1
131.08534	5.1
133.10136	13.6
135.08044	15.3
135.11662	5.9
137.09589	3.4
137.13235	1.4
138.31665	1.1
141.06952	1.4
143.08524	4.0
144.09297	1.2
145.10098	7.9
147.11705	8.5
149.09599	3.7
149.13252	4.0
153.06911	1.5
154.02655	1.2
155.08537	4.7
157.10104	4.8
159.11644	6.5
161.09547	1.7
161.13239	1.5
163.11189	2.2
165.12781	2.8
167.08543	3.4
167.14333	3.3
169.10127	3.9
171.11696	3.2
173.13280	2.8
175.14819	10.6
177.12715	5.3
177.16324	2.0
179.08563	3.8
179.14301	34.2
180.09300	2.4
181.10077	5.9
182.18706	1.1
183.11682	4.0
184.07327	3.7
184.43668	1.1
185.13287	1.7
187.03662	17.2
189.16374	1.9
193.10135	5.1
193.15988	2.8
195.11653	7.0
197.13264	2.8
199.14807	1.2
205.10046	1.8
205.15895	8.1
205.17555	1.1
206.10857	1.4
207.11681	2.9
209.13232	7.0
211.14824	3.1
219.11520	1.4
221.13206	4.3
223.14822	6.1
233.18889	1.9
235.14799	2.9
237.16391	3.2
249.16336	2.0
251.17915	2.7
262.16446	1.2
263.20190	2.8
265.19421	3.0
271.20615	2.0
275.20227	1.5
279.21201	1.5
289.21655	8.1
291.20996	1.7
303.26733	3.5
331.26315	52.4
349.27417	6.1
357.27939	1.1
369.27628	3.6
375.28937	2.4
387.28848	8.5
405.29977	67.5
406.30411	1.6
447.32358	1.4
461.34174	1.7
499.27780	2.4
499.39355	6.4
517.28656	5.1
517.40436	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86931	1.7
65.67182	1.8
69.03427	2.5
70.06576	3.3
70.31567	1.9
71.57445	2.6
85.02927	4.7
86.56821	2.0
89.03912	5.9
95.04940	2.6
107.04966	4.4
114.56930	2.4
117.03381	6.4
135.04414	17.3
145.02876	13.3
163.03906	100.0
200.34370	2.1
203.03468	2.7
240.39244	2.0
279.06137	2.3
331.09708	2.0
358.65939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	7.2
58.46310	3.1
66.57396	3.1
69.03418	8.8
70.06607	3.4
71.13183	3.8
71.13485	4.2
85.02898	19.0
86.09738	3.9
89.03907	6.0
97.02869	5.8
98.97575	5.2
100.49348	3.5
107.04958	4.3
116.98586	3.9
117.03343	6.6
123.04349	3.5
127.03924	4.5
134.99681	3.0
135.04420	15.8
145.02821	12.5
146.05940	3.0
163.03903	100.0
167.07005	17.0
179.03497	4.6
180.23248	2.9
193.04959	7.8
237.02788	7.9
251.07114	6.6
297.07059	4.1
355.04166	14.6
374.65955	3.9
397.04340	5.8
488.36853	3.4
536.83118	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
55.01860	0.4
57.13485	0.2
65.03938	0.4
67.01851	0.7
67.05496	0.4
68.99760	0.3
69.07065	0.6
69.85093	1.7
77.03937	1.4
79.05476	1.0
81.07059	0.6
91.05482	3.8
93.07030	0.8
95.04969	0.8
95.08621	0.3
98.21095	0.8
101.18301	0.3
103.05456	0.4
105.03386	3.5
105.07023	0.8
107.04945	1.3
107.08636	0.4
109.06533	0.4
111.04449	0.3
117.07012	1.0
119.04928	0.9
119.08595	2.1
120.02067	0.4
123.04438	3.0
129.06990	0.6
131.04945	0.3
132.05750	0.8
133.02855	2.3
135.04422	0.6
137.02335	1.0
147.04413	0.5
147.08052	1.7
149.02313	1.8
151.03867	1.8
155.08528	0.5
160.05225	1.2
161.02342	100.0
162.02672	1.1
163.03917	1.2
163.07536	0.8
165.05548	0.4
167.03406	6.2
175.07542	3.0
177.01840	5.0
177.05550	0.3
179.03381	2.0
183.08145	0.4
187.07443	0.3
188.04716	0.5
189.01851	1.0
189.05479	1.0
192.04181	7.3
199.07471	0.4
201.09090	0.6
203.07037	19.9
204.07327	0.3
205.04984	5.4
213.22031	0.3
227.07054	3.6
229.08632	5.0
243.06419	0.3
267.06570	1.2
273.07617	0.8
279.06683	0.6
288.95361	0.3
295.05951	2.0
297.07581	6.8
299.05515	0.6
313.07004	0.5
315.08804	0.3
323.05606	1.4
339.12482	0.6
341.06586	4.5
341.10315	0.6
365.10172	1.3
383.11264	1.0
405.30020	0.4
407.11447	0.5
499.14212	0.7
517.14972	5.6
517.27582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1496
Annotation	Gericudranin A
Peak:m/z	Relative Intensity
53.03936	0.5
55.01860	1.2
55.05495	0.3
56.96608	0.2
65.03938	1.3
67.05505	5.9
68.99780	0.6
69.03414	0.4
69.65879	0.2
77.41656	0.2
79.05498	0.9
81.03431	0.5
81.07056	0.8
85.02889	0.8
91.05460	1.2
93.07030	0.7
95.04968	7.9
95.08607	0.5
97.02876	0.3
97.06522	0.4
98.21478	0.4
99.04468	0.3
104.10774	0.4
105.07036	0.4
107.04946	0.8
107.08585	0.5
109.02853	0.5
109.06526	0.2
109.10133	0.3
115.05405	0.3
119.04935	0.5
119.08629	0.6
119.77237	0.2
121.06535	0.5
121.10121	0.5
122.32794	0.2
123.04427	100.0
124.04752	0.9
127.03912	0.6
131.04924	0.5
131.08568	0.3
133.02814	0.2
133.10175	0.3
135.04398	0.3
135.08064	0.5
135.11682	0.3
137.05975	0.7
141.07039	0.2
143.08601	0.3
147.03423	0.3
147.04385	1.5
148.77565	0.3
151.03992	0.3
153.01820	0.4
157.06509	0.3
159.02998	0.3
161.02333	3.1
161.05992	0.9
163.03938	0.5
163.07532	2.0
165.05530	0.6
167.03439	0.9
167.54181	0.2
177.05449	0.4
179.08615	0.3
181.06523	0.3
184.07440	0.3
185.06023	0.3
187.07591	0.6
189.05492	0.3
191.03400	0.3
193.32979	0.2
194.11551	0.3
197.05945	0.3
199.07581	0.4
205.04912	1.3
205.08647	0.7
207.08192	0.3
209.06023	0.3
211.07584	0.7
213.05421	0.3
223.07553	0.6
225.09088	0.4
227.07214	0.3
229.67758	0.2
231.10005	0.2
231.90446	0.3
235.07639	0.4
251.07222	0.3
253.04726	0.3
253.08661	0.3
255.06433	1.9
267.06641	1.2
269.21136	0.5
273.07434	0.4
275.05496	0.3
277.08643	0.3
279.06564	0.7
295.05978	0.7
297.07526	6.8
299.05753	0.8
310.04562	0.3
311.05481	1.2
321.11453	0.4
322.39969	0.3
323.05615	1.0
325.06979	0.8
337.10803	0.3
339.99469	0.3
341.06549	5.3
341.10278	0.4
349.10852	0.5
351.08728	0.9
355.15430	0.4
363.08615	0.5
365.10117	1.1
377.10074	0.5
379.07880	1.1
381.09625	0.6
389.10147	0.8
395.11273	18.1
396.11508	0.3
407.11087	2.4
485.48026	0.3
499.14023	1.1
517.14948	28.6
518.15228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.8
54.04001	2.9
55.01863	6.3
55.05500	7.7
67.05495	20.5
68.99747	2.7
69.03435	14.6
69.07053	10.7
70.06591	3.8
79.05484	6.1
81.03406	10.8
81.07053	17.5
83.04961	3.0
83.08610	5.9
85.02900	15.9
87.00807	3.9
91.05484	13.9
93.07039	10.0
95.04950	11.1
95.08599	16.2
97.02872	7.8
97.06533	6.0
98.51455	3.3
105.01851	3.4
105.07021	14.9
107.04948	5.8
107.08598	7.9
109.02845	7.7
109.10143	12.5
111.08064	3.8
117.07026	6.1
119.04900	4.9
119.08599	8.2
121.02892	3.4
121.06504	4.8
121.10152	8.1
123.04427	58.9
123.08059	6.4
127.03930	11.7
130.07809	2.8
131.08543	5.6
133.10112	8.6
134.99599	3.1
135.04361	4.6
135.08006	3.1
135.11690	7.9
137.05943	6.2
137.09578	4.3
137.36377	3.8
139.11165	3.1
143.08578	4.3
145.10143	4.9
147.02492	3.6
147.04414	26.8
147.11682	8.3
149.05992	7.2
149.09607	3.8
155.13759	2.7
157.10049	3.8
159.08067	3.6
159.11641	4.7
161.02327	4.1
161.05968	7.0
163.03908	14.3
163.07503	8.2
165.12515	3.2
167.07014	5.0
167.08482	3.3
171.07990	4.1
171.11697	5.1
175.11232	4.0
177.05566	2.9
177.09177	3.1
179.03548	3.4
187.14835	4.1
189.09045	4.9
193.04993	3.1
195.08080	6.5
203.10527	5.6
212.08519	3.6
213.09068	4.3
227.10626	4.4
234.15703	7.0
235.07614	3.4
269.08051	9.5
269.21136	6.4
279.06668	3.9
285.36203	3.8
291.10056	4.9
297.07547	6.9
297.34003	3.6
299.05505	12.8
305.11566	4.2
307.09521	6.1
337.10388	7.3
337.14316	100.0
355.11765	18.3
355.15463	13.8
395.11197	6.1
517.14941	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	23.3
65.28700	7.3
67.05508	64.7
69.03415	13.7
69.07049	17.0
69.85929	37.7
71.05706	7.3
79.05492	48.8
81.03402	8.1
81.07062	100.0
83.08610	7.7
83.89954	6.3
85.02891	8.4
91.05479	35.2
92.01180	7.3
93.07033	65.1
95.04980	7.6
95.08588	68.4
97.10141	11.6
99.08083	9.5
105.07005	25.2
107.08566	35.3
109.06517	12.8
109.10113	24.8
117.07005	13.3
117.56696	6.8
119.08567	24.1
121.10143	37.6
122.85574	7.0
123.08054	11.1
123.11686	17.7
128.32036	8.4
129.06999	9.8
131.08549	19.7
133.10120	17.7
135.11703	22.0
145.10115	21.3
147.11694	19.6
149.13228	21.2
159.11685	20.5
163.14954	7.8
173.13239	15.0
185.13229	10.8
187.14861	8.9
242.01180	7.1
243.21129	17.4
251.28490	6.4
254.78252	8.1
261.22009	38.9
335.25708	13.0
345.24057	13.5
353.26984	8.9
427.60007	6.7
479.29462	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.1
55.01864	7.2
55.05514	27.2
55.25816	2.5
57.03428	8.1
57.07057	3.6
64.30334	2.9
65.03934	5.1
67.05504	82.9
69.07075	24.1
69.95187	16.9
71.01350	2.7
71.04996	3.1
76.33289	2.7
79.05061	5.1
79.05491	67.6
81.03425	5.1
81.07057	54.9
81.25934	3.0
83.04987	14.5
83.08596	6.3
85.06536	3.9
91.05483	43.5
93.06477	4.9
93.07043	82.6
95.04951	8.3
95.08605	35.1
97.02853	3.1
97.06525	8.2
97.10166	12.1
99.08157	3.3
105.07025	25.8
107.08598	46.2
109.06494	3.7
109.10159	13.7
111.08046	4.1
117.07031	13.8
119.08559	23.4
121.10143	21.9
129.07013	7.0
131.08548	19.5
133.10120	13.8
135.11685	46.1
143.08549	10.0
145.10115	21.1
147.11687	7.7
149.13254	8.8
153.12773	5.4
157.10083	7.2
159.11696	12.8
161.13242	4.1
163.11200	6.4
169.10126	5.5
171.11690	8.3
173.13312	7.2
181.12251	7.6
183.11655	4.0
185.13327	4.0
187.14822	3.2
195.11725	3.9
197.13254	4.5
199.14912	5.6
201.16484	2.9
229.71782	3.2
261.22211	5.2
329.64392	2.9
349.65372	2.8
359.69165	2.9
359.73929	2.9
423.32529	11.5
441.33539	5.5
515.37299	100.0
515.49554	3.6
516.37793	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	9.3
55.05492	23.8
55.50103	6.8
57.03427	15.9
59.53831	6.4
61.02928	9.1
67.05502	97.6
69.03432	11.8
69.07050	27.7
70.18401	38.3
79.05470	52.4
81.03408	15.1
81.07049	100.0
83.08620	17.5
83.25607	8.0
85.02936	9.6
91.05491	45.7
93.07034	62.0
95.04990	9.4
95.08600	71.4
97.06529	10.4
105.07018	33.6
107.08601	31.5
109.06535	17.9
109.10136	30.1
117.07005	26.6
119.08557	33.0
121.10107	37.5
122.17782	6.8
123.08055	9.5
123.11733	13.4
131.08571	20.0
133.10138	20.9
135.11705	19.3
137.13145	10.2
138.87257	6.5
139.61565	6.5
142.10989	10.2
143.08540	11.1
145.10126	14.9
147.11662	19.5
149.13239	21.5
159.11667	21.4
161.13290	12.2
173.13260	21.2
184.07375	8.1
187.14771	9.8
214.47792	8.0
243.21025	9.2
261.22067	50.1
284.33792	7.4
303.23123	11.0
314.24060	7.9
335.25818	20.3
345.24033	14.8
353.26895	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.6
57.07038	1.1
57.12949	0.9
63.23130	0.9
67.05489	4.2
69.07058	1.8
71.58619	1.4
73.43968	0.9
79.05485	3.2
81.07043	3.7
91.05466	3.7
93.07018	3.7
95.08576	2.7
105.06996	2.4
107.08602	1.7
109.10213	1.1
115.09093	0.9
117.06989	1.8
119.08573	2.3
121.10138	1.8
131.08537	1.3
133.10121	2.6
135.11649	1.3
145.10112	1.5
147.11678	2.8
149.13156	1.0
159.11696	1.4
177.51364	1.1
214.25041	1.0
219.14508	1.0
259.20615	1.5
355.88037	1.0
514.50946	1.5
515.31873	100.0
516.32233	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78311	5.8
53.55477	6.8
55.05505	17.5
57.03424	11.7
62.25301	5.7
65.03931	9.1
67.05499	100.0
69.07053	19.0
70.71635	11.4
70.71963	7.9
76.50700	5.5
79.05488	63.0
81.07053	90.1
83.08604	8.7
85.02902	8.2
91.03957	7.9
91.05477	45.3
93.07035	70.3
95.08604	70.3
97.02882	8.3
97.06483	8.8
105.07012	32.1
106.22751	6.5
107.08574	40.0
109.10122	30.2
117.07029	10.8
119.08583	19.2
121.10114	32.3
123.11662	17.6
131.08548	27.8
133.10089	16.2
135.11664	15.8
145.10109	24.0
147.11707	18.5
149.13271	13.5
159.11690	14.2
161.13208	14.4
163.14807	9.5
173.13277	17.6
243.21062	16.0
257.64365	6.4
261.22174	63.9
301.21655	6.3
335.25827	26.9
353.26852	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37967	8.2
55.05499	28.3
57.07060	9.2
67.05234	8.9
67.05505	100.0
67.30320	8.5
69.03400	13.7
69.07055	22.9
70.32404	23.2
70.32796	16.4
70.34341	9.0
71.05000	9.5
79.05492	71.9
81.03395	9.4
81.07051	91.6
83.08607	18.2
89.74780	9.4
91.05457	55.8
93.07037	90.7
95.08608	91.3
105.06995	33.3
106.16480	10.3
107.08574	43.6
109.10160	42.3
117.07011	32.3
119.08585	27.1
121.10118	45.0
123.11736	25.0
130.40652	8.6
131.08566	25.4
133.10143	21.4
135.11653	27.5
137.09586	9.5
143.08534	11.6
145.10110	32.4
147.11670	26.0
149.13229	29.0
159.11694	32.5
161.13237	13.4
163.14827	18.0
173.13246	16.0
201.16478	10.2
243.21022	33.0
247.20810	9.5
261.22153	96.0
285.51828	9.9
312.41437	10.3
335.26053	11.3
405.26523	10.7
431.85654	10.0
515.31555	17.2
523.65552	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
58.06581	1.2
59.06125	4.6
67.05507	2.9
69.03439	2.6
71.58345	1.5
73.02898	1.4
79.05502	1.4
81.03432	2.8
81.07061	4.9
81.18711	1.2
82.61417	1.1
82.63097	1.3
83.04989	1.8
85.02901	3.5
86.09727	1.7
91.05492	1.8
93.07048	3.8
95.08624	3.4
97.06566	1.6
99.04445	2.6
105.07043	2.9
107.08631	3.5
108.47825	1.1
108.98245	1.1
109.02888	1.8
109.06556	2.3
109.10159	1.4
119.08600	2.5
121.10162	3.3
122.91307	1.1
123.04424	7.5
123.08094	3.9
127.03973	2.7
133.10129	2.7
135.08107	1.7
135.11664	1.3
136.04990	2.3
140.07115	1.3
145.10165	1.6
149.05949	1.6
155.47298	1.2
163.03929	1.4
191.10674	1.3
192.10243	1.2
203.05270	1.2
225.06708	1.7
231.10190	2.4
233.11809	1.3
243.10236	2.5
245.06412	2.9
249.14532	6.3
267.07895	1.2
267.15619	5.8
271.07324	1.5
289.05286	8.5
294.08945	1.1
295.07254	1.5
295.15036	11.1
313.08121	2.2
314.52457	1.2
353.10199	1.5
353.14148	2.8
372.11859	7.2
400.11319	2.1
407.81412	1.3
411.20074	4.6
429.20905	21.7
471.21982	56.7
472.22366	1.7
483.19534	1.9
515.21094	100.0
515.28326	14.3
516.21619	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13044	1.6
55.05499	1.8
61.31715	1.2
65.69846	1.5
67.05481	3.2
69.03423	5.5
69.07048	2.9
69.45461	14.2
71.04964	1.8
71.14532	1.3
79.05478	3.6
81.03415	4.3
81.07059	7.3
85.02900	2.7
91.05476	22.0
93.07034	4.2
95.04980	2.8
95.08608	4.0
97.02869	3.0
97.06522	2.9
98.21543	2.6
99.04417	2.3
105.07018	4.4
107.04963	1.7
107.08602	3.8
109.02889	3.4
109.10181	1.6
115.97335	1.6
119.08580	3.0
121.06462	1.8
121.10150	4.6
123.04402	1.7
123.11695	3.1
125.09672	1.6
127.00113	1.8
127.03920	4.8
129.02927	1.4
131.04709	1.9
133.10136	3.8
135.08011	2.3
137.05988	2.5
149.06000	3.2
161.05986	6.4
163.03856	7.3
163.11194	3.1
167.03221	1.7
176.12344	1.4
185.04265	2.0
203.06987	1.7
223.07379	2.3
227.05217	5.3
245.06377	5.4
249.05240	13.4
267.06244	22.1
271.04294	14.5
289.05319	12.8
363.06906	6.4
384.11368	1.6
389.04764	4.3
407.05762	15.6
427.13730	2.8
429.11505	6.9
429.17117	1.7
471.12610	40.7
515.11621	100.0
515.18634	6.1
515.27472	7.9
516.11859	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.2
55.05494	11.1
56.96547	4.8
67.05492	14.3
69.07068	24.4
69.96580	11.5
69.97002	12.3
79.05489	18.4
80.73110	4.8
81.03398	14.3
81.07050	17.9
83.04987	5.8
83.08605	5.6
86.49483	4.1
91.05475	11.5
93.07029	23.7
95.04944	6.3
95.08579	15.9
97.10147	8.0
105.07001	5.2
107.04945	45.6
107.08545	8.1
109.10158	6.4
110.09325	3.9
111.04475	4.4
119.08549	12.8
121.10094	7.8
131.08534	5.8
133.06413	6.1
133.10130	8.7
135.08107	5.9
145.10109	7.2
149.04738	4.2
149.09660	27.0
161.09639	6.3
201.11011	4.7
273.18628	9.0
291.19516	100.0
309.20419	6.3
327.35193	4.4
463.33374	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03115	8.2
55.01860	13.6
55.66943	9.7
56.89415	9.3
57.03435	9.2
58.02401	8.1
66.04691	9.1
66.69642	7.9
67.05491	27.3
69.03416	15.0
69.07061	30.4
69.59001	65.0
70.06588	28.4
79.05482	17.2
81.03411	100.0
81.07039	27.2
82.06570	16.3
83.08621	17.2
83.42200	8.2
85.02911	13.3
86.09719	27.0
89.86996	9.1
90.96705	9.9
91.05478	28.4
93.07042	13.1
95.04958	35.1
95.08595	32.6
97.02892	9.3
98.21510	10.7
100.07613	40.7
105.07015	16.1
107.08614	24.5
109.10163	12.8
111.08108	15.4
114.09158	13.7
119.08534	10.3
121.10179	17.0
123.08047	12.3
123.11750	10.7
131.08565	14.7
133.10135	26.5
137.09570	14.7
140.07036	57.7
153.02512	8.1
157.10240	11.1
164.10727	21.1
183.14891	10.1
192.10176	19.1
193.12207	85.4
266.84958	11.2
267.15826	53.3
285.16965	76.9
309.17117	21.5
312.47897	8.6
313.11737	35.5
323.12326	23.8
341.11368	13.1
357.39926	11.0
373.13776	43.9
411.18628	10.2
458.89297	9.9
482.18970	37.9
514.22223	19.2
514.29901	51.6
515.20691	16.8
544.21472	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62908	2.5
55.05514	7.2
57.38956	3.0
59.24238	2.7
61.37413	2.7
67.05511	14.7
69.03423	7.5
69.07053	9.4
70.06583	10.4
70.15595	5.0
70.15981	7.9
72.08154	3.8
79.05490	12.4
81.03414	83.9
81.07066	14.4
82.06564	3.5
83.04961	6.3
83.08617	17.9
84.08166	3.2
85.02897	8.5
86.09700	17.2
87.80801	2.6
91.05470	12.7
93.07051	7.5
95.04946	22.4
95.08593	9.9
97.02894	7.1
99.04484	2.5
100.07604	5.4
105.07001	11.8
107.04955	9.1
108.04488	4.8
108.94565	3.3
109.10165	6.1
111.04478	3.5
111.08088	9.0
116.77519	2.7
119.04897	3.2
119.08562	8.8
120.08118	3.1
121.10136	6.1
122.05986	3.5
125.09565	2.8
127.03844	3.5
129.07022	4.0
131.08575	5.7
133.06511	4.7
133.10112	6.5
138.09146	3.7
140.07047	9.2
146.19193	2.6
147.04330	3.3
147.11659	7.5
149.09613	5.5
150.05524	2.8
157.10139	10.9
164.10701	3.9
168.06569	7.5
175.11192	12.1
191.14235	3.5
192.10161	7.9
193.12224	52.6
193.13890	4.6
205.08479	3.2
211.08603	5.2
225.10219	5.9
235.13350	3.0
239.11819	6.3
267.11188	11.9
267.15851	33.0
285.16968	51.1
295.10834	9.4
297.12234	3.6
309.17056	5.8
313.11771	41.6
341.11328	11.6
373.13898	100.0
374.14288	7.7
482.19034	10.5
482.78119	3.1
515.21027	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04697	1.5
67.05503	4.6
68.05015	1.8
68.55726	0.9
69.03400	1.8
69.07060	12.4
70.06577	4.3
79.05477	2.7
80.05001	2.4
81.03404	0.9
81.07034	3.2
82.07346	1.1
84.08107	0.9
85.02888	2.5
86.09691	2.9
89.03896	1.1
91.05468	1.3
93.07037	1.6
94.06561	15.6
95.04954	4.2
95.08595	2.7
96.04516	1.1
97.06512	2.2
98.06036	2.2
104.04953	2.7
107.08575	1.1
108.04475	30.7
109.10136	1.1
110.06007	1.4
112.07619	5.8
116.04975	1.5
118.06492	3.2
122.06024	52.4
123.04417	2.9
124.07587	2.6
127.03992	1.0
133.10065	1.7
140.07053	100.0
144.04439	2.8
145.05104	1.4
146.06000	48.4
148.07666	1.0
150.05453	3.8
152.07121	1.0
154.08620	1.2
160.03900	1.3
162.05482	2.6
163.03905	1.1
166.04889	0.9
168.06557	22.3
169.06853	0.9
172.03923	19.5
172.05391	1.0
173.04727	6.5
174.05495	68.6
175.05855	1.9
176.07097	1.4
191.05746	19.7
192.06531	8.2
204.06546	23.2
206.08113	16.7
206.09903	1.7
213.77246	1.0
221.06032	1.6
225.10147	1.9
233.05948	1.2
239.11812	1.8
252.08897	1.3
253.09612	2.3
265.09717	2.1
267.11264	4.9
280.23694	1.0
281.09235	2.5
285.12338	11.9
295.05984	2.0
295.10709	3.4
295.86508	0.9
297.12408	3.9
299.10269	10.5
300.11438	1.5
301.11853	1.0
313.11792	67.9
314.12180	3.7
323.10214	3.0
324.11148	4.5
329.11334	1.3
331.12851	23.4
341.07016	2.1
341.11282	38.9
342.11801	1.6
345.14313	2.4
356.13669	2.8
359.12207	1.7
373.13879	11.6
438.19791	1.1
440.18188	8.4
464.18283	6.0
482.19208	83.8
483.19321	3.4
496.20801	6.7
500.20279	9.0
514.20313	1.4
515.19940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
55.13430	1.1
65.03931	1.1
66.04684	1.1
66.66109	1.0
67.05502	2.1
68.05019	1.7
69.03421	2.2
69.07064	9.9
70.06588	7.7
71.58351	1.5
78.68568	1.0
79.05473	1.8
80.05010	2.3
81.03432	1.3
81.07056	1.4
84.08144	1.3
86.09702	8.0
89.96307	1.0
91.05494	1.2
91.21700	1.0
92.02615	1.2
93.07020	1.6
94.06568	15.5
95.04974	3.9
95.08602	1.4
98.06057	2.2
104.05023	1.7
105.05785	2.2
105.07008	1.1
105.81804	1.1
108.04471	24.6
112.07612	4.2
116.04960	1.4
118.06532	1.5
122.06023	50.7
123.04459	2.3
124.07648	1.5
124.38116	0.9
126.05484	0.9
140.07059	100.0
141.07385	1.0
144.04474	2.3
145.05130	1.2
146.06006	60.9
148.07507	1.2
150.05490	4.7
162.05481	1.7
168.06543	26.6
172.03943	13.5
173.04736	10.5
174.05499	71.8
175.05878	1.8
176.07059	2.3
183.14903	1.1
188.62073	1.1
189.12660	1.3
190.04991	1.8
191.05771	20.5
191.07512	1.3
192.06564	8.0
193.74876	1.0
199.18045	1.8
204.06534	17.2
206.08104	12.6
211.08708	1.9
213.10291	1.3
225.10210	3.9
237.10249	2.6
238.10684	1.5
239.08121	1.5
239.11760	3.6
240.09024	1.7
241.09729	2.7
252.08759	1.0
253.09682	5.1
254.10341	1.5
262.47125	1.1
265.09763	2.7
267.11365	6.8
281.09180	11.6
282.09573	1.3
285.12369	13.1
286.17462	1.1
295.10779	7.8
297.12335	4.7
298.10739	1.7
299.10306	15.9
300.11099	2.4
313.11795	62.6
314.12186	1.8
323.10187	7.4
324.11035	5.7
331.12927	14.6
341.11316	73.8
342.11810	3.9
345.14581	2.6
355.13025	1.2
356.13638	3.5
372.12753	1.5
373.13867	19.7
374.14233	1.6
436.18451	1.3
440.18173	10.9
464.18277	7.6
482.19208	75.9
483.19501	3.4
496.20853	8.4
500.20285	4.6
514.21021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01863	5.4
55.05513	30.0
57.03430	24.3
57.07074	41.1
58.06591	5.9
58.07397	4.9
60.08155	9.5
61.02647	5.9
61.02924	74.2
65.03941	5.4
67.05176	7.4
67.05505	100.0
69.03423	35.9
69.07057	37.9
70.06586	31.6
71.01304	5.4
71.04960	6.5
71.06956	4.3
71.07349	8.4
71.08620	16.5
71.58779	7.0
73.02909	32.7
74.99759	5.0
79.05496	25.9
81.03403	18.6
81.06583	6.9
81.07050	96.3
83.04990	6.5
83.08615	25.1
85.02426	6.9
85.02905	68.8
85.10178	12.0
86.09702	24.2
87.10014	7.0
88.07625	31.2
91.03951	43.1
91.05476	33.2
93.07032	35.6
95.04961	7.4
95.08606	78.1
97.02889	58.0
97.06529	8.0
97.10147	15.6
98.56139	4.4
99.04423	13.4
101.02371	12.8
102.09163	23.2
103.03961	5.6
104.10743	45.8
105.07018	29.3
105.11077	13.9
106.07400	4.7
106.08600	4.5
107.08566	23.1
109.02842	11.9
109.10136	39.3
111.11729	5.9
117.07006	5.3
119.08571	24.0
121.10126	21.8
121.20397	5.0
123.11702	8.3
125.00021	11.8
126.00370	6.3
127.00401	6.4
127.03891	18.5
129.06964	5.0
131.08578	6.6
133.10135	21.1
135.11687	12.4
136.46756	4.2
137.13255	8.8
143.08546	7.9
145.04930	6.8
145.10190	11.2
147.11705	10.2
149.13261	7.2
161.13272	9.3
163.14784	5.0
173.13232	5.3
175.14861	6.5
183.06551	6.4
184.07352	23.1
185.07651	15.9
186.07817	14.2
228.23262	6.7
256.26346	53.1
257.26736	25.7
277.25296	21.3
283.26312	45.2
284.26669	30.8
311.29355	5.9
315.74738	4.5
351.28979	87.8
393.30505	4.6
495.34872	6.7
512.50397	30.5
513.35870	32.6
513.50696	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81604	4.2
55.01873	7.6
55.05514	17.3
55.36253	4.5
57.03449	23.5
58.69791	4.8
67.05504	59.8
69.03442	13.4
69.07076	57.4
70.06607	6.7
70.93365	9.2
71.04993	53.1
79.05494	41.6
81.07063	100.0
83.05001	5.5
83.08602	7.8
85.02914	17.1
85.06529	26.9
86.09670	4.8
91.05473	33.9
93.07043	71.7
95.04990	7.4
95.08611	87.6
97.02935	8.1
97.06543	28.2
97.10160	9.8
99.08104	10.9
105.07032	39.4
107.08596	47.3
109.06505	5.3
109.10164	43.3
111.08121	23.5
115.07563	21.6
117.07025	6.9
119.08583	32.3
121.10141	51.8
122.06042	11.7
123.11720	15.2
125.09589	8.5
131.08574	15.4
133.10144	29.6
135.11679	57.8
140.07066	23.0
141.09105	9.8
145.10146	15.2
146.05980	8.6
147.11668	38.0
149.13249	22.9
151.07445	4.5
151.11121	4.8
159.11662	18.1
161.13266	26.2
163.11064	5.0
163.14830	7.7
165.12755	6.1
168.06651	5.3
172.04054	5.2
173.13217	11.5
174.05499	14.6
175.14859	9.7
177.16331	5.3
187.14882	9.5
189.16377	13.5
201.16516	6.5
203.17989	8.8
204.06490	6.3
217.19617	8.0
238.10580	6.5
243.21068	33.1
261.22180	31.3
266.10217	6.8
267.23114	11.6
279.23172	74.5
297.24203	53.4
312.10834	5.5
313.11786	15.7
315.25305	56.6
321.03833	5.2
333.26321	35.8
340.10022	13.2
341.11307	15.5
351.27145	12.8
371.12299	6.1
372.12570	18.7
482.19144	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.9
57.03423	10.1
61.02921	13.4
67.05508	37.7
69.03420	11.4
69.07058	15.3
69.53510	10.1
69.53913	33.5
71.04975	4.6
73.02894	7.1
78.99799	4.9
79.05498	38.6
81.03421	6.5
81.07050	41.7
83.04950	8.7
83.08618	11.0
85.02911	16.8
91.05482	34.0
93.07047	58.0
95.04947	9.9
95.08073	5.6
95.08598	29.8
95.32446	5.4
97.02892	12.7
101.59371	5.6
105.07027	33.1
106.07335	5.9
107.08591	31.0
109.06512	7.8
109.10159	8.5
117.07027	15.5
119.08591	34.0
121.10156	29.0
123.08128	7.5
123.11652	5.5
124.33096	4.9
129.05432	4.6
129.06966	9.7
131.08569	19.8
133.10144	28.2
135.11719	24.7
136.25142	5.0
137.09593	7.6
143.08521	6.7
145.10138	19.3
147.08029	5.5
147.11676	31.0
149.13269	14.3
157.10139	8.1
159.09178	8.9
159.11649	11.8
161.13280	20.4
164.71301	6.0
171.11673	8.5
173.13188	8.2
175.11093	5.7
175.14842	12.5
183.11691	6.2
185.13202	10.1
241.19489	23.0
259.20648	41.5
277.21570	11.1
301.21655	5.5
333.24329	11.5
351.25272	100.0
441.26154	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.4
55.01863	8.5
55.05507	35.0
56.93013	3.6
57.03432	46.9
57.07080	6.0
59.05026	3.4
61.02921	21.4
61.19811	3.0
65.03948	6.4
67.05501	81.9
69.03429	41.2
69.07062	26.7
70.34142	3.4
70.60884	11.6
71.04993	22.7
73.02907	14.7
79.05492	79.2
81.03413	32.1
81.07047	100.0
83.04980	11.2
83.08627	18.0
85.02905	41.1
85.06541	9.1
91.03961	8.8
91.05470	74.0
91.06008	4.5
93.07037	99.8
95.04985	14.5
95.08606	88.9
97.02892	37.8
97.06524	11.0
97.10149	5.1
99.04451	13.2
99.08083	6.6
101.02360	10.1
103.03930	9.0
105.07027	63.3
107.08588	65.5
109.02866	10.8
109.06505	10.7
109.10163	30.8
111.04444	5.1
111.08086	6.8
111.81788	3.5
117.07015	28.3
119.08571	48.1
121.10141	46.9
123.08046	7.0
123.11678	7.7
125.09579	3.4
127.03925	22.4
129.05498	11.3
129.07022	8.0
131.08568	30.2
133.10123	37.7
135.08080	5.4
135.11679	42.7
137.09615	7.4
139.11104	3.2
143.08583	9.2
145.05017	6.8
145.06473	4.2
145.10107	33.8
147.11671	32.9
149.09677	6.2
149.13240	22.0
149.14305	4.4
151.11214	5.7
157.10092	11.7
159.11705	23.2
161.09648	3.1
161.13228	18.9
163.11188	7.4
163.14825	7.3
165.12831	3.3
171.11635	8.2
173.13297	16.3
175.11160	4.1
175.14813	10.0
177.12679	3.8
185.13283	11.9
187.14786	20.1
189.16356	4.1
191.14291	4.5
199.14856	6.8
201.07500	3.8
201.16307	5.7
205.15865	6.3
213.16447	5.5
231.21051	3.7
241.19495	14.8
259.20569	43.0
259.23080	4.7
262.66174	3.8
275.20218	4.7
277.21591	35.3
279.71793	3.8
293.21143	5.3
333.24234	9.3
341.41321	3.5
351.25290	61.1
352.41580	3.7
370.93417	3.6
420.10419	3.6
513.30579	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.1
57.07072	7.1
61.02921	20.9
65.24324	6.7
67.05503	45.7
69.03423	18.4
69.07077	23.3
69.93338	11.0
69.93754	24.0
71.04987	7.9
79.05490	42.1
81.03419	13.7
81.07061	52.3
83.08627	12.1
85.02900	13.4
88.02709	6.5
91.03965	9.6
91.05482	44.3
93.07025	45.8
95.04972	11.5
95.08636	39.1
97.02890	17.3
97.06561	8.0
105.06414	8.0
105.07006	38.5
107.08571	33.5
109.06526	7.6
109.10157	18.1
117.07033	10.6
119.08569	38.7
121.10149	29.9
123.08089	7.9
129.07050	11.7
131.08589	25.6
133.10135	28.4
135.08032	7.3
135.11705	31.3
143.08566	13.4
145.10132	19.3
147.11653	32.6
149.13237	17.2
157.10109	9.6
159.11719	19.6
161.09775	7.1
161.13290	23.0
163.14861	12.3
171.11691	12.7
173.13280	14.7
175.14821	7.3
185.13312	10.9
194.98753	7.6
241.19554	19.1
259.20575	56.1
334.42905	7.0
349.23587	9.2
351.25290	100.0
459.27374	9.5
495.29248	7.0
513.28473	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00271	20.0
55.05511	51.8
57.03418	23.8
60.28764	20.7
61.02922	28.5
61.12859	18.1
66.58960	20.6
67.05498	99.6
69.03394	27.9
69.07081	59.9
70.06591	31.8
70.55661	77.9
79.05497	47.5
81.03429	26.4
81.07060	70.5
83.08627	33.2
85.02908	26.5
91.05472	70.8
93.07027	84.2
95.04961	40.8
95.08612	62.7
97.06519	27.4
105.07023	87.4
107.08601	84.2
109.10176	48.5
119.08601	60.8
121.10132	39.3
132.51619	21.7
133.10126	64.7
145.10135	27.8
147.11655	58.0
149.13274	25.5
159.11600	24.6
177.35629	20.8
241.09773	27.5
259.20563	71.4
283.26355	26.9
336.31601	26.3
351.25299	100.0
428.52460	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
53.13272	3.3
55.01885	4.5
55.05503	15.9
57.03421	9.5
57.07058	4.6
61.02909	16.7
67.05505	40.5
69.03425	8.0
69.07050	18.1
70.32475	7.7
70.32883	13.4
71.05000	4.3
71.63383	3.5
73.02922	7.3
79.05482	37.2
81.03384	8.6
81.07048	46.4
83.08598	9.1
85.02888	17.5
91.05482	43.0
93.07029	50.0
95.04963	7.1
95.08600	33.9
97.02882	15.1
97.06510	4.4
98.21456	5.9
105.07024	47.0
107.08588	36.7
109.02873	4.1
109.10152	14.0
111.08012	5.0
112.94395	3.9
115.05457	6.2
117.07007	12.2
119.08573	36.9
121.10117	35.2
123.08051	4.4
123.11687	4.0
127.03861	5.7
129.06993	11.8
131.08560	20.5
133.10110	23.9
135.11760	19.2
135.12608	3.6
143.08563	11.6
145.10104	20.0
147.11681	30.8
149.13260	14.3
156.45905	4.1
157.10101	8.0
159.11687	20.9
161.13248	19.6
163.14784	5.9
169.10037	5.0
171.11652	8.5
173.13243	13.1
175.14798	14.0
179.03532	4.7
185.13222	11.2
199.08607	4.6
199.14888	5.4
231.21165	5.6
241.19496	23.4
244.08363	7.2
259.20538	51.6
275.35110	4.0
277.21692	9.2
283.26138	5.3
293.21124	4.2
301.21573	5.9
313.15347	9.8
333.24045	5.3
351.25281	100.0
396.46170	4.2
436.10901	4.0
441.26752	7.8
495.29163	9.7
512.50610	6.8
513.29602	8.5
513.50415	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05023	1.8
57.03422	0.7
57.07053	1.6
58.06594	1.4
60.08158	15.5
62.99078	0.6
67.05477	1.9
69.07049	1.4
69.42791	3.6
69.43206	1.7
70.06586	1.2
71.07370	6.2
71.08625	0.9
73.02914	0.6
75.04453	1.2
79.05489	0.9
81.07043	2.1
83.08611	1.2
86.09698	42.0
88.07632	0.6
91.05450	0.8
93.07067	0.8
95.08595	1.0
97.10141	0.7
98.20762	1.2
98.98440	3.7
102.09189	0.8
104.10734	100.0
104.49828	0.6
105.07001	0.9
125.00001	23.2
142.48680	0.6
143.01125	0.6
184.07324	59.4
197.85817	0.5
203.86053	0.6
228.05841	0.6
256.26401	3.0
258.11041	0.9
283.26315	3.0
494.32498	5.5
512.33453	25.0
512.50140	6.2
513.33789	1.0
524.24634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18347	0.6
55.05502	1.3
57.07072	15.7
57.28304	0.5
58.06598	1.6
58.75383	0.6
67.05491	2.1
69.07063	2.3
70.06590	13.9
71.08627	9.2
71.57358	1.3
73.02899	1.5
81.07043	1.6
83.08617	1.6
85.10175	2.9
88.07629	18.6
89.06060	0.8
95.08595	2.6
97.10154	1.2
98.90369	0.6
100.22248	0.5
102.09171	13.2
106.08674	0.7
109.10159	0.9
113.05418	0.6
133.08644	0.8
205.67220	0.8
228.23195	4.0
256.26343	47.1
257.26785	0.8
274.27377	4.5
283.26294	48.1
311.29404	4.5
334.27969	0.7
335.01489	0.7
423.76315	0.8
512.50360	100.0
513.50824	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.3
57.03434	17.7
61.02923	19.3
67.05513	40.6
67.90947	6.5
69.07067	20.3
70.12282	35.4
71.04977	10.8
79.05496	42.3
81.07063	36.8
82.74051	5.9
85.02932	17.9
89.79227	7.4
91.03976	7.8
91.05479	40.9
93.07047	56.2
95.08622	33.0
97.02923	11.3
98.20821	10.5
105.07045	40.3
107.08600	42.1
109.10169	14.2
117.07065	11.1
119.08588	34.7
121.10147	24.8
129.07019	12.6
131.08578	19.2
133.10143	27.7
135.11687	20.5
142.77686	7.1
143.08490	6.7
145.10133	17.8
147.11688	28.0
149.13263	15.8
157.10132	10.0
159.11678	18.5
161.13278	23.4
171.11726	13.0
173.13254	11.1
175.14810	11.3
177.89442	5.4
185.13284	6.7
199.14769	8.5
219.17467	15.5
220.17825	14.8
221.18173	9.7
230.19661	7.6
231.21156	7.9
241.19522	22.3
257.19019	6.5
259.20584	52.1
275.20154	6.8
277.21579	8.5
351.25330	100.0
441.26480	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
57.03424	1.9
60.04522	12.6
61.02911	1.8
67.05497	3.7
67.20233	0.7
69.03420	6.6
69.07049	2.2
70.06570	1.6
70.51221	0.8
71.04978	1.9
73.02888	0.9
76.11729	0.9
79.05482	1.4
81.03401	2.0
81.07043	2.6
82.06551	1.3
85.02895	8.4
86.06048	1.6
86.09668	1.5
87.28830	0.7
91.05480	2.1
92.90876	0.9
93.07028	1.4
95.04961	1.1
95.08596	2.6
97.02911	3.7
99.04448	1.9
100.07599	1.3
100.09150	0.7
107.08602	1.8
109.10148	1.7
118.06543	1.0
119.08594	1.1
120.04438	1.2
120.08106	2.1
121.10133	1.6
123.11692	1.2
124.07565	1.9
127.03933	2.2
130.06503	2.2
133.10100	1.1
137.09650	0.8
138.05513	4.3
140.07065	1.8
145.07579	2.5
146.05994	2.2
147.09163	6.6
151.11118	0.8
157.07632	5.4
157.19762	0.7
159.09169	3.2
166.04970	3.6
167.07307	0.8
174.05444	1.4
185.10710	1.4
189.68375	0.9
191.08153	26.6
192.08240	0.7
194.09744	1.0
202.03247	0.9
204.47884	0.8
206.08170	1.5
209.10706	2.3
211.08673	2.8
216.07707	2.6
219.09218	1.9
220.07504	0.9
222.07671	1.4
222.09428	1.0
223.08601	4.8
224.09387	1.8
225.10225	1.7
235.08609	1.1
236.09389	1.6
237.10210	33.7
238.10880	2.1
239.08096	4.8
239.11760	3.7
241.09654	1.2
247.08670	2.6
249.10184	3.1
250.08498	2.9
251.08078	7.4
252.08911	2.8
253.09753	4.1
254.10558	1.0
255.11267	2.1
263.13913	3.5
264.08887	1.3
265.09714	40.1
266.07260	0.7
266.10361	3.4
267.07684	3.3
267.11273	9.6
271.10764	1.0
277.09680	1.4
279.07541	1.7
281.09174	4.1
282.09824	1.2
283.10617	1.7
292.52158	0.8
293.09198	32.3
294.09811	3.1
295.10797	10.6
296.25787	1.1
299.10275	4.3
300.67810	0.8
303.04773	1.5
307.12872	18.1
311.10239	36.5
312.10855	4.2
313.11810	4.0
314.26773	2.2
321.08664	9.9
325.11835	1.4
332.13910	4.8
332.27805	5.5
339.09741	51.6
340.10229	3.1
350.13446	29.8
350.28976	11.7
353.11298	9.7
371.12369	100.0
372.13074	4.2
373.13681	0.8
391.55823	0.8
406.17667	0.9
434.17041	2.3
452.18039	4.7
462.16714	1.8
480.11240	1.2
480.17654	16.0
494.18930	1.7
494.32874	1.2
512.18988	14.1
512.27448	1.8
512.34839	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29287	0.6
55.01861	1.0
55.05497	0.8
60.04505	2.8
62.06069	0.6
66.21971	0.6
67.05479	2.0
69.03413	2.8
69.07048	2.1
70.06567	2.5
74.16145	0.6
79.05502	1.2
81.03400	1.0
81.07040	1.4
85.02920	4.5
86.09707	1.5
87.04461	0.7
91.05461	1.6
93.07034	0.8
94.06586	1.2
95.08620	1.1
97.02903	2.0
100.07593	1.0
105.07024	0.7
107.08613	1.1
109.10141	1.1
110.52808	0.8
118.70084	0.7
120.08015	0.8
124.07560	1.6
133.04967	0.7
138.05501	4.4
140.07042	2.8
146.05991	2.1
147.04279	0.9
166.04988	4.8
174.05556	1.3
191.08191	1.4
192.08075	0.9
206.08261	1.5
209.10733	2.9
210.09326	1.1
211.08679	2.6
219.09187	2.4
220.07552	1.0
222.07878	2.7
222.09625	0.8
223.08667	4.7
224.09401	2.4
225.10199	3.1
235.08768	0.9
236.09413	2.4
237.10219	42.4
238.10854	2.4
239.08150	4.8
239.11780	3.5
247.08716	2.4
248.09335	1.0
249.10274	1.7
250.08627	2.9
251.08170	7.3
252.09004	2.0
253.09700	4.8
254.10509	2.1
255.11293	2.4
264.08957	1.0
265.09711	46.0
266.07120	1.1
266.10455	3.9
267.07700	3.0
267.11282	11.0
268.08963	0.9
268.11905	1.2
269.09103	1.1
279.07593	2.4
281.09158	6.5
282.09851	1.0
283.10791	3.6
293.09195	32.7
294.09814	2.8
295.10767	12.8
299.10275	4.0
300.10941	0.7
311.10233	37.3
312.11053	3.8
313.11786	3.7
321.08673	14.6
325.11853	1.4
327.13257	1.0
332.27762	1.6
339.09732	69.6
340.10486	3.9
341.11465	0.9
350.28992	2.3
353.11307	12.2
354.11874	1.2
357.10886	2.2
371.12357	100.0
372.12958	4.4
372.36798	0.7
373.13837	0.8
377.01828	2.4
434.16953	1.7
436.18890	1.5
452.18143	5.7
462.16708	0.9
480.11069	1.4
480.17612	18.6
494.18768	1.2
512.20233	4.4
512.27606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01858	1.2
57.03438	3.9
59.04988	0.6
61.02925	3.4
67.05485	0.4
69.03425	14.7
69.07058	0.4
69.33063	3.0
71.01337	1.1
71.04989	2.8
73.02919	3.4
75.04469	0.3
76.35930	0.3
79.05486	0.4
81.03413	4.6
85.02901	13.1
87.04465	1.6
91.03943	0.6
91.05444	0.4
97.02885	6.0
99.04445	3.5
101.02393	0.4
109.02895	1.8
114.42222	0.3
115.03890	0.6
116.04984	0.5
117.05477	1.1
118.06524	2.2
122.05992	0.7
127.03931	2.1
132.08092	0.4
138.05464	1.1
140.07076	0.8
145.04939	0.7
145.07584	8.9
146.06009	0.8
146.08379	0.7
147.09166	20.0
157.07588	0.9
159.09171	9.0
160.09953	1.3
160.45441	0.3
161.10687	0.9
166.04964	0.6
173.07106	1.2
173.10707	1.3
174.05534	0.4
175.08659	1.3
179.17882	0.3
184.09924	0.4
185.10701	3.7
186.11452	0.5
187.08656	1.0
187.12305	1.1
189.10219	1.0
191.08145	100.0
192.08502	1.5
194.48749	0.3
197.10728	1.5
199.08701	0.7
199.12296	1.3
201.10231	0.9
203.11644	0.4
209.10829	0.4
211.08623	0.8
213.10263	1.9
215.08116	0.6
215.11751	1.7
216.07675	11.5
219.09138	0.4
219.11171	0.4
223.08682	1.0
225.10214	1.4
227.08107	0.5
227.11807	0.7
229.13350	0.8
231.11328	0.7
233.09206	0.9
236.09583	0.6
237.10228	7.0
239.08136	0.8
239.11734	0.8
241.09848	0.4
243.11258	0.9
245.09268	0.9
245.12880	0.8
250.08606	0.7
251.08122	2.2
252.08925	0.6
253.09714	1.1
255.11223	0.5
259.10922	0.5
263.13910	9.6
265.09732	8.1
266.10336	0.5
267.08084	0.5
267.11252	2.1
271.10706	0.9
279.07721	0.7
280.08533	0.4
281.09210	1.0
283.10782	0.7
289.11829	5.2
293.09210	5.8
294.09821	0.8
295.10748	1.1
299.10266	0.9
307.12866	60.8
308.13177	1.4
311.10281	7.0
312.10825	0.6
313.11905	1.1
321.08627	2.3
327.13416	0.5
332.13159	0.4
339.09735	9.9
340.10251	0.8
350.13452	96.3
351.13724	2.0
353.11169	2.0
354.11725	0.4
357.10712	0.4
371.12375	18.5
372.13153	0.6
373.14059	0.4
434.16940	0.6
436.18814	0.3
452.18195	1.9
469.18301	1.4
480.17673	4.2
494.18216	0.9
512.18768	40.3
513.19135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.6
57.03423	6.3
57.07066	6.2
67.05499	15.2
69.07069	28.3
69.97051	12.2
71.08633	3.9
79.05489	6.9
81.07051	17.3
83.04898	2.2
83.08311	1.6
83.08627	16.6
90.06496	2.1
91.05492	2.8
93.07034	7.7
95.08614	15.0
97.10148	10.5
98.98468	33.8
107.08572	4.0
109.10152	5.2
121.10154	8.0
123.11708	2.9
135.11696	5.2
144.17639	2.4
153.80360	2.2
155.01022	18.0
173.02104	3.5
339.28925	100.0
340.29175	4.1
475.28165	4.3
511.90244	2.7
519.01471	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	16.6
55.01855	15.0
55.05509	36.4
57.03437	35.3
57.07069	5.8
61.02919	15.7
63.58266	3.7
65.03907	5.0
67.05176	6.4
67.05504	86.3
69.03425	46.5
69.07077	34.9
69.52578	33.6
71.01352	7.2
71.04980	13.0
73.02901	11.6
75.59442	4.0
79.05495	74.5
81.03415	49.9
81.07056	98.1
83.04971	25.0
83.08656	20.5
84.08136	4.9
85.02907	39.5
85.06560	6.9
91.03948	8.9
91.05470	75.6
93.07034	57.3
95.04951	25.5
95.08607	53.0
97.02895	43.6
97.06528	16.0
97.10172	13.5
98.21482	9.1
99.04444	10.6
99.08095	9.7
101.02350	9.9
105.07033	66.1
107.04939	16.8
107.08596	63.8
109.02875	13.8
109.06490	19.4
109.10163	34.0
111.04418	6.9
111.08073	9.0
117.06992	26.6
119.08575	60.7
121.06464	8.2
121.10149	39.9
123.08053	12.0
123.11686	9.4
125.09613	13.3
127.03899	27.7
129.05487	9.6
129.07031	18.9
130.07799	4.6
131.08568	38.3
133.06483	7.2
133.10126	45.4
135.08022	12.5
135.11674	18.4
137.02327	5.1
137.05977	5.1
137.09612	12.3
137.13159	5.3
143.08551	15.4
145.04967	7.0
145.06502	6.9
145.10138	39.2
147.11661	39.2
149.09590	13.5
149.13293	7.3
151.07544	6.3
155.08565	10.3
157.10107	17.0
159.11647	34.3
161.09622	10.6
161.13293	12.0
163.03896	16.9
163.07544	7.1
163.11145	12.2
165.12724	10.8
169.10158	8.7
171.06610	4.3
171.11639	10.9
173.09584	4.9
173.13261	12.8
175.11244	10.2
177.12755	6.9
177.77937	4.1
179.08775	4.0
179.14265	6.6
183.11655	10.6
185.09633	5.7
185.13275	8.5
189.11176	7.1
189.12718	5.0
193.12186	10.5
194.70123	5.3
195.13779	5.6
197.13210	5.8
201.12675	5.3
203.14352	4.7
205.04929	5.3
205.15863	5.6
219.17545	5.4
221.15454	4.9
227.12605	5.8
231.10196	4.9
239.18024	13.8
247.20578	8.0
257.19019	26.0
269.17310	6.0
275.20074	100.0
299.00150	5.0
331.22556	5.5
341.20786	5.1
349.19778	6.6
349.23706	75.0
493.27621	8.3
511.29297	25.3
532.89703	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.4
54.41639	3.5
55.01858	12.3
55.05505	28.6
57.03439	22.4
61.02919	26.3
65.03926	6.5
67.05177	5.5
67.05500	71.3
69.03421	41.0
69.07062	41.3
69.31294	36.9
71.04975	8.1
73.02904	12.9
79.05490	55.9
81.03425	33.4
81.07050	53.1
83.04957	14.0
83.08605	16.8
85.02895	35.7
85.06533	5.6
91.03943	8.8
91.05473	57.6
93.07031	48.5
95.04956	12.5
95.08600	42.7
97.02885	30.5
97.06524	15.5
97.10153	16.5
99.04451	8.0
101.02363	4.7
105.07024	45.0
105.51842	3.3
107.04956	10.4
107.08578	41.8
109.02869	7.9
109.06527	8.6
109.10143	28.5
111.04438	6.9
111.08015	4.3
115.05369	4.4
117.07010	19.2
119.08578	36.9
121.06503	5.2
121.10112	20.4
123.04402	4.2
123.08034	6.2
123.11674	9.1
125.09618	14.2
127.03902	16.5
129.06976	5.0
131.08575	22.7
133.10121	33.3
135.08038	8.2
135.11687	14.3
137.09590	8.5
140.45039	3.6
143.08524	9.0
145.10112	24.0
147.11633	21.1
149.09607	16.6
149.13203	6.4
151.11136	3.7
157.06357	3.8
157.10104	11.4
159.11681	22.3
161.13271	7.8
163.11131	11.2
165.12738	3.5
169.10085	4.7
171.11653	5.9
173.11716	12.3
173.13185	8.7
177.12746	4.5
179.14279	6.2
183.06485	3.5
183.11649	5.8
187.11198	3.7
189.11198	14.2
189.12756	3.3
201.12686	4.1
207.04251	3.4
227.12656	4.9
228.17926	3.7
229.14346	11.0
229.19476	8.3
239.17949	13.5
247.20543	13.0
257.18973	19.1
275.20023	100.0
293.21133	7.3
349.23694	85.2
391.24860	4.6
493.27591	5.1
511.29926	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26344	7.0
53.03940	19.2
55.01867	29.4
55.05511	28.6
55.49959	6.2
57.03441	36.5
61.02920	32.2
67.05505	84.7
69.03426	44.4
69.07067	37.1
70.78473	24.5
71.04980	14.2
73.02901	18.5
78.60617	8.9
79.05492	65.2
81.03418	67.0
81.07055	100.0
83.04982	27.9
83.08640	15.3
84.63951	7.4
85.02884	44.8
91.03955	17.0
91.05473	91.2
93.07043	72.5
95.04970	17.3
95.08600	53.0
96.61086	6.9
97.02899	42.3
97.06525	42.9
99.04468	15.0
101.02364	8.7
105.07021	69.5
107.04977	19.3
107.07967	6.8
107.08611	42.0
109.02888	15.6
109.06519	13.8
109.10161	22.7
111.08100	8.2
115.05421	8.9
117.07036	30.0
119.05154	6.9
119.08590	61.4
120.96784	6.6
121.10156	28.6
123.08124	8.8
125.09645	12.0
127.03940	26.0
129.06979	12.4
131.08565	41.1
133.10149	50.0
135.08092	7.8
135.11708	22.1
137.09642	11.5
143.08539	12.6
145.10146	33.2
147.11711	24.1
149.09605	16.7
157.10075	10.5
159.11670	27.7
163.11206	7.8
167.08669	6.6
171.11758	10.9
173.04504	10.7
173.13300	14.0
185.13379	14.0
219.17413	86.4
229.07376	7.4
229.19312	7.4
257.18976	20.8
269.17459	10.7
275.20029	98.6
340.09955	8.6
349.23724	58.5
399.21289	7.5
455.11118	22.2
511.17413	27.7
511.28775	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	18.9
54.80005	3.8
55.01860	18.7
55.05503	35.2
56.96557	4.4
57.03440	35.8
57.07073	4.0
61.02916	15.9
65.03934	7.1
67.05500	100.0
69.03424	59.9
69.07070	27.4
71.01365	6.0
71.04984	13.4
71.31322	7.1
71.31656	4.7
73.02919	8.6
74.02261	3.7
79.05494	86.9
81.03413	66.5
81.07049	78.1
83.04972	23.1
83.08616	12.3
85.02901	42.9
85.06541	8.8
88.21339	3.7
91.03925	5.0
91.05477	93.0
93.07044	77.3
95.04969	21.9
95.08602	63.5
97.02878	48.1
97.06516	15.3
97.10152	9.2
99.04453	13.8
99.08051	5.5
101.02384	6.6
103.03931	8.2
103.05455	7.5
105.07027	71.0
107.04964	11.6
107.08578	44.7
109.02928	19.5
109.06518	21.1
109.10141	29.1
111.04432	8.6
111.08040	5.5
115.05440	8.1
117.07010	40.0
119.08573	55.1
121.06511	14.1
121.10132	37.3
123.08059	10.0
123.11750	7.5
125.09616	9.9
127.03920	29.7
128.06212	7.2
129.05479	6.1
129.07008	16.9
131.08566	52.3
133.06453	4.6
133.10132	44.7
135.08051	12.0
135.11694	22.9
137.09653	8.8
143.07515	3.9
143.08534	20.0
145.05037	5.1
145.06477	8.5
145.10127	35.8
147.11697	25.1
149.06010	8.5
149.09605	11.9
149.13258	10.2
151.11136	6.8
154.07756	4.9
155.08571	7.6
157.10133	18.2
159.08075	4.9
159.11671	26.6
161.09628	7.6
161.13254	9.8
163.07539	13.9
163.11137	9.8
163.14655	4.0
165.12738	6.5
166.07835	4.1
169.10107	7.8
171.07979	6.5
171.11673	14.0
173.04436	12.3
173.09669	5.6
173.11836	6.5
173.13246	18.5
175.11249	7.1
177.12769	5.1
185.09628	5.0
185.13316	4.6
189.16403	4.5
197.13327	7.4
199.14851	7.7
201.16298	6.6
217.15794	8.4
219.17517	4.7
229.14310	12.5
229.19524	10.2
235.16876	6.7
236.77545	4.5
239.17928	7.0
247.12881	4.3
247.20558	6.0
257.18961	17.7
259.20502	5.1
275.20056	65.8
291.19492	5.4
293.21524	4.8
302.10657	4.5
309.20590	5.3
349.23721	55.6
351.35361	4.5
378.91241	5.0
383.22165	4.9
453.24582	27.8
475.26645	4.8
493.27557	6.0
511.29407	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
54.97416	1.1
55.01863	2.2
55.05502	4.1
57.03436	11.8
61.02643	1.4
61.02924	15.4
67.05501	13.1
68.21473	1.0
69.03438	6.6
69.07059	3.5
70.83617	2.2
70.83954	1.4
71.05000	1.9
73.02928	7.6
79.05492	15.6
81.03424	4.5
81.07059	14.0
83.04959	1.2
83.08615	1.7
85.02901	13.4
85.06525	2.4
87.55545	0.9
91.03963	7.9
91.05470	18.6
93.07035	15.5
95.04945	2.7
95.08600	10.5
97.02896	11.0
97.10170	1.5
99.04482	4.8
101.02388	3.6
105.07034	15.2
107.04951	3.0
107.08574	9.1
109.02890	2.6
109.06503	3.2
109.10167	3.2
111.08058	1.5
117.07004	7.6
119.08567	14.6
121.06480	1.1
121.10113	5.3
122.55967	1.1
123.08061	1.1
127.03909	6.1
129.07011	1.4
131.08556	10.7
133.10149	8.4
135.08061	2.5
135.11693	4.5
137.09578	1.1
138.81769	1.0
139.11168	1.0
143.08569	2.7
145.04982	1.7
145.10092	5.7
147.11679	3.4
149.09666	1.6
157.10168	2.4
159.11702	4.2
161.13252	1.4
163.11186	1.0
173.13223	2.4
185.13338	2.9
199.14856	1.1
201.16345	2.8
203.14366	3.2
219.17436	100.0
257.19049	2.7
275.20047	12.6
349.23770	11.2
493.27750	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22798	0.5
56.05029	1.1
57.07063	2.5
58.06605	0.8
58.78844	0.5
60.08160	17.3
63.73736	0.6
66.15310	0.6
69.07052	0.9
69.34899	6.6
69.65481	0.5
71.07377	5.6
71.08623	2.0
81.07034	0.9
83.08636	0.6
86.09703	52.3
95.08601	0.9
98.98473	3.6
104.10739	100.0
107.85704	0.6
125.00001	28.9
184.07332	99.4
185.07730	0.8
246.22507	0.6
258.11017	1.4
327.29034	1.6
402.35626	0.6
492.34473	8.3
510.35529	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	16.8
57.07079	53.8
64.52632	10.4
69.07073	13.4
69.83762	41.5
69.84166	19.9
71.08603	29.4
81.07063	14.0
83.08607	24.7
85.10195	13.0
86.09722	13.0
95.08607	38.3
97.10172	14.3
98.21482	21.5
104.10773	29.1
184.07391	41.6
239.23740	46.8
251.54277	11.8
311.53668	12.4
313.27292	100.0
337.05951	12.9
339.28949	29.9
378.37372	11.9
510.35471	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01848	0.9
58.29808	0.2
60.27207	0.2
64.66078	0.2
68.99780	0.7
69.03418	0.6
69.95338	0.5
69.95732	0.7
71.04986	0.3
79.05495	3.9
81.03403	0.7
84.24667	0.2
85.02891	0.5
86.87669	0.2
91.05470	3.2
93.07019	0.5
95.04970	1.8
97.02876	0.8
98.21449	0.3
99.29452	0.2
103.05453	5.6
105.03379	0.3
105.07021	12.4
107.04895	0.4
107.08559	0.4
109.06494	0.3
111.04400	0.3
115.05456	1.3
117.06979	0.5
119.04921	0.6
119.08523	0.2
120.05698	0.6
121.06495	0.6
123.04414	0.8
123.08084	0.4
128.06215	0.7
129.06999	1.1
131.04927	2.0
131.08571	0.6
133.02800	0.3
133.06456	2.0
135.04405	0.9
135.08055	1.4
137.02361	0.4
137.05971	0.4
141.06966	0.6
143.08630	0.3
144.05701	0.3
145.06467	1.2
145.51550	0.2
146.07289	0.4
146.99796	0.2
147.04414	1.7
148.05170	0.9
149.05992	2.7
151.07544	4.0
152.06146	0.3
153.06996	0.3
154.14969	0.2
155.08551	0.3
157.06480	0.8
158.07295	0.3
159.04407	0.4
159.08028	0.6
160.05185	0.5
161.05975	2.5
161.13071	0.2
163.07527	100.0
164.07883	0.8
165.07072	0.3
165.09116	0.6
169.06442	0.3
171.02969	0.3
171.04361	0.4
173.05959	1.6
174.06723	1.0
175.07550	1.6
177.09064	0.8
181.06447	0.3
181.08591	1.1
183.08015	0.3
185.05959	1.2
187.07518	2.6
189.05473	0.6
189.09097	7.5
197.05833	0.5
199.07513	0.7
201.05438	0.5
201.09068	0.4
203.06978	0.8
205.08565	1.6
207.10051	0.3
211.07596	0.6
213.03773	0.4
213.05525	0.6
214.65575	0.2
215.07007	1.0
227.06937	1.0
231.06502	0.7
239.06944	1.4
257.08051	1.5
271.09641	0.3
275.09082	0.3
277.08713	0.2
283.09442	0.3
297.11209	1.1
299.12796	1.1
309.38962	0.2
311.12796	0.6
323.12732	0.5
325.10767	0.3
335.12897	1.0
343.08316	0.2
343.12238	0.3
351.12234	0.3
361.14050	0.3
365.13809	1.0
379.15381	0.3
389.13824	2.8
401.12436	0.3
407.14917	3.6
425.15903	0.5
475.13165	0.2
493.14685	0.5
511.15985	2.4
532.92126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01856	3.4
55.05497	4.6
57.03416	4.7
57.07064	2.9
59.05000	14.0
60.04532	10.0
61.02914	7.7
67.05500	10.9
69.03423	19.0
69.07081	1.8
70.06578	4.3
70.63453	2.6
70.63807	4.0
71.04989	18.5
73.02908	3.7
79.05498	9.8
80.55071	1.3
81.03419	7.5
81.07055	31.8
83.04990	2.1
83.08595	2.9
84.34193	1.4
85.02901	81.2
86.03255	1.5
86.09682	2.1
87.04440	2.1
91.03953	3.1
91.05473	8.2
93.07035	17.7
95.04962	6.1
95.08598	8.3
97.02892	23.8
97.06479	2.1
99.04446	3.8
100.11246	5.1
105.07029	6.9
107.08573	16.4
109.02905	8.5
109.06512	10.9
109.10139	27.4
111.08077	9.9
115.03909	1.6
119.08551	2.4
121.06486	1.6
121.10160	3.7
122.48202	1.3
123.08033	3.7
123.11707	37.5
127.03905	22.7
133.10146	17.5
135.11642	2.6
138.05409	1.8
145.03897	2.4
145.04956	26.6
147.04306	1.7
147.11610	2.0
151.11174	100.0
152.11676	1.3
153.01779	1.3
153.12686	2.4
163.05994	11.4
169.12224	29.9
227.16356	1.5
246.14917	2.0
276.23392	1.6
294.24323	2.0
294.57166	1.3
295.15176	2.4
312.25378	5.0
313.16373	5.9
325.11215	3.1
330.26276	15.7
331.17374	7.3
347.26297	1.6
348.19937	4.2
348.26950	5.0
451.32791	1.7
456.29745	1.5
466.16550	1.4
492.30896	7.2
510.19290	2.1
510.30670	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.4
57.03429	4.0
61.32965	3.4
66.68829	3.0
66.69176	2.8
69.03437	9.2
69.07085	3.5
69.43121	29.0
70.06565	4.1
72.35267	2.8
81.03422	7.7
81.07069	5.9
85.02901	21.9
87.00822	10.7
87.95243	2.9
91.05478	100.0
92.05828	4.9
93.07079	3.5
95.04961	3.5
95.08594	4.7
97.02879	20.0
98.21509	6.9
99.04461	5.9
100.11281	7.1
103.63438	3.3
105.01910	6.6
105.07050	4.6
107.08600	3.9
109.02883	7.0
123.04425	4.3
127.03924	11.4
132.72409	3.2
145.04993	10.5
151.07561	5.4
159.02895	4.1
167.03455	6.4
179.03439	5.8
191.03473	5.0
233.04495	5.4
245.04482	5.1
269.08212	11.7
293.08072	7.0
305.34845	3.8
311.09241	5.6
335.09128	14.0
338.93835	3.5
353.10422	8.9
406.73224	3.4
407.94949	3.1
467.87762	3.5
510.22299	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
57.03432	3.0
58.90006	2.0
60.04498	3.3
67.05495	7.3
69.03414	6.3
69.07069	2.6
69.44230	16.5
69.44642	4.8
70.06590	10.5
71.04967	4.1
72.08141	2.7
79.05485	6.8
81.03409	5.3
81.07037	9.3
82.06561	7.6
84.08116	4.2
85.02899	11.8
86.09695	6.5
87.04489	2.4
87.96776	2.5
89.29105	1.9
91.05455	8.4
93.07040	6.2
94.06564	6.2
95.04981	3.9
95.08596	7.3
97.02914	4.1
104.48014	1.9
105.07018	4.6
107.08627	3.3
108.08094	2.4
109.02869	2.3
109.10195	2.0
110.09680	24.2
119.08525	3.8
120.08070	5.6
123.04446	3.2
127.03954	3.1
128.07071	2.7
131.08618	2.5
133.10063	2.6
136.07605	3.4
138.09134	100.0
151.11130	2.3
174.12852	2.8
192.13753	5.0
210.14993	4.8
228.15936	4.0
230.95302	2.8
262.10730	4.0
303.05048	3.6
312.25223	4.2
330.26257	8.4
348.27258	12.1
354.19113	3.1
372.20135	22.8
390.21164	4.2
492.31168	4.5
510.16870	9.4
510.23462	11.1
510.32181	35.5
511.17819	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	25.4
57.03423	7.4
60.04749	4.9
67.05500	45.1
69.07064	29.5
69.43418	23.1
69.43841	16.9
71.04987	4.2
71.08632	5.1
79.05494	17.5
81.07052	44.6
83.08620	14.2
91.05486	11.1
93.07048	16.9
95.08606	32.8
98.21540	9.3
98.98469	43.4
105.07028	6.8
107.08591	9.6
109.10158	17.1
116.28024	4.5
116.93101	4.6
121.10171	9.0
123.11711	6.3
131.19489	5.0
133.10117	8.2
135.11691	6.2
142.76003	4.2
155.01033	16.4
158.66875	5.2
249.93021	4.8
256.51263	5.9
263.23923	5.0
291.08041	4.8
323.48969	5.0
337.27344	100.0
337.31149	7.7
473.26413	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01864	2.1
55.05506	2.0
57.03441	1.6
61.02921	1.5
64.38715	1.3
65.03944	3.4
67.05487	1.9
69.03419	6.2
69.07059	1.9
69.96369	6.9
73.02892	1.6
79.05442	1.2
81.03416	4.9
81.07058	2.5
85.02899	13.0
87.00835	4.1
91.05478	100.0
93.07034	3.4
96.79868	1.3
97.02892	9.0
99.04439	3.2
100.11237	3.0
103.99376	1.2
105.01849	4.3
105.07039	1.8
109.02869	5.0
109.10117	1.3
116.37202	1.2
119.08553	1.5
127.03912	13.8
127.78167	1.4
131.35052	1.3
134.02776	1.1
143.67531	1.3
145.04930	5.0
159.02885	2.4
167.03416	2.3
227.07144	1.9
297.31342	1.4
347.01678	1.4
370.61520	1.3
395.33908	1.2
423.40726	1.4
510.22150	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.05514	0.7
57.03419	0.4
58.06586	0.9
67.05485	2.1
69.03419	2.3
69.07050	1.8
70.06586	2.4
70.74417	1.5
71.04984	0.8
72.08141	0.6
74.06068	0.9
79.05499	2.2
79.61177	0.5
81.03398	1.6
81.07066	2.6
82.06555	0.8
83.04958	0.7
84.04491	0.5
84.08099	0.5
84.86386	0.5
85.02888	2.9
85.06541	0.7
85.16255	0.5
86.09688	1.5
91.05457	1.1
93.07044	2.3
94.06557	1.0
95.04940	1.1
95.08598	2.0
97.02856	0.7
99.08063	0.6
105.07027	1.1
106.06641	0.4
107.08585	1.8
108.04464	0.6
108.08103	0.8
109.02882	0.9
109.06552	0.7
110.09695	0.5
112.07575	0.5
113.34435	0.5
116.07075	1.5
119.08567	1.5
120.08074	1.1
121.10114	1.7
127.03900	0.7
129.02678	0.5
131.08589	1.1
133.10161	0.7
135.73828	0.5
136.07616	0.9
137.06023	0.7
138.05473	1.1
145.10133	0.6
147.11650	0.6
149.09576	0.6
152.07031	0.6
160.03918	0.7
162.05435	0.5
163.03825	0.8
167.10620	0.7
175.14899	0.6
178.05028	1.2
185.07196	0.7
185.11711	1.0
186.09142	0.8
187.05032	0.9
195.09206	0.8
198.07838	0.5
199.08653	2.6
201.06601	1.9
201.10281	0.7
205.06044	1.1
209.10677	0.7
210.09131	0.6
211.08591	0.7
213.06618	2.6
213.10277	2.4
215.11946	0.8
219.07426	0.5
223.08723	0.7
223.22542	0.6
224.20100	0.8
227.08080	4.4
227.11707	1.1
229.09697	1.8
231.07634	2.4
237.10214	1.6
238.08575	1.4
239.08125	1.0
239.11710	0.6
241.09656	3.2
245.09193	1.7
248.23763	0.6
250.21709	0.6
251.08131	1.0
255.07649	4.9
255.11316	3.4
257.09134	1.5
265.09735	1.9
266.08054	0.8
267.07687	0.9
267.11438	0.6
268.08392	0.7
269.09222	5.3
273.08722	5.1
274.21680	0.6
275.19788	0.6
283.10767	10.5
285.08527	0.6
285.26196	0.5
287.10330	2.2
292.22745	0.7
293.09232	3.4
293.21075	1.5
301.11868	3.5
310.23718	0.6
311.10242	28.0
312.10892	0.9
319.13025	0.7
329.11301	41.4
330.11774	0.6
346.25870	1.3
347.12357	100.0
347.26221	1.4
348.12729	1.5
350.21365	0.5
473.29202	0.5
490.29834	0.6
491.16263	0.6
491.30780	0.9
508.31427	3.7
509.16525	2.8
509.25946	0.7
509.31506	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01860	0.6
55.05507	1.1
57.03429	0.6
57.07064	0.4
61.02935	0.5
63.05954	0.3
66.69944	0.4
67.05506	3.0
68.25513	0.3
68.99762	0.6
69.03423	2.6
69.07050	1.8
69.44910	2.9
71.04975	0.4
71.28540	0.4
73.02921	0.5
79.05494	2.0
81.03407	3.2
81.07063	3.5
83.04990	0.6
83.08619	0.7
85.02895	3.4
85.06558	0.7
86.09697	0.6
87.00795	1.2
87.04445	0.4
91.05472	2.9
93.07053	2.5
95.04954	1.7
95.08598	2.0
97.02892	1.5
97.06558	0.7
97.10149	1.0
99.04421	1.0
99.08109	0.5
103.05437	0.6
105.01880	1.0
105.07029	1.9
107.04939	0.8
107.08568	1.9
107.86031	0.4
109.02875	1.6
109.06494	1.3
109.10121	1.5
111.04423	0.4
114.28632	0.4
117.07024	0.9
119.04908	0.5
119.08580	2.0
121.06509	1.0
121.10162	1.4
123.04404	0.7
123.08054	0.8
123.11719	0.5
125.05993	0.6
125.09607	0.5
127.03867	3.1
128.06151	0.5
129.07002	1.2
131.04865	1.0
131.08549	1.2
133.06461	0.6
133.10115	1.5
133.13127	0.4
135.08002	0.8
135.11766	0.7
137.05957	1.2
145.04970	1.1
145.10106	1.6
146.33305	0.4
147.04407	1.3
147.08031	0.6
147.11559	0.6
149.05946	0.6
149.09555	0.6
157.10120	0.8
159.02910	0.7
159.08098	0.8
159.11639	0.9
161.05956	1.5
161.09590	0.6
161.13313	0.5
163.03877	1.3
163.07547	0.5
163.11209	0.6
165.09013	0.5
167.07092	0.5
173.09601	0.8
173.13156	0.6
175.03897	5.7
175.07555	1.1
175.11038	0.4
176.04561	0.6
177.05402	0.8
181.04939	0.5
185.13277	0.4
189.05435	0.6
189.09128	0.6
191.03355	1.5
191.07036	0.6
193.04965	3.5
193.12206	0.8
203.03389	5.1
203.07018	2.6
204.03996	0.6
205.04968	6.0
205.12308	0.5
217.04944	5.2
219.06496	2.9
229.08580	0.8
231.06534	22.6
245.08051	1.2
246.08824	0.7
261.11206	100.0
262.11572	1.3
273.11218	0.6
289.05270	1.5
303.12244	1.1
337.25595	0.6
352.23828	0.4
369.13437	0.5
417.16275	0.4
509.27899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3115
Annotation	Broussonetine A
Peak:m/z	Relative Intensity
53.00191	1.0
53.03938	1.7
54.76814	1.0
55.01884	1.3
55.05499	4.9
56.05035	6.8
57.03437	2.0
58.06599	1.5
60.04522	6.6
61.02920	1.5
64.91973	1.1
67.05511	13.1
68.05036	1.0
69.03426	10.1
69.07065	5.9
69.54434	1.0
69.86127	4.4
69.86539	2.1
70.06597	8.8
71.04987	3.3
73.02895	1.3
79.05482	7.8
80.05032	2.3
81.03405	4.7
81.07059	16.1
82.06568	4.2
83.01378	1.2
83.04972	1.9
83.08611	3.7
84.08124	2.1
85.02427	1.5
85.02906	15.7
85.06556	1.9
86.06042	1.3
86.09719	2.6
87.04465	2.7
91.05488	3.8
93.07056	8.0
94.06521	1.7
95.04967	3.7
95.08597	15.1
96.08131	4.8
97.02877	7.3
97.06527	2.0
99.04488	5.1
105.01868	1.6
105.07025	4.1
107.04874	1.4
107.08585	5.8
108.08070	1.2
109.02866	2.7
109.06517	2.2
109.10175	4.3
110.09718	1.2
111.08092	1.5
114.09171	2.5
119.08559	3.7
120.08076	2.5
121.10150	5.4
122.09644	1.1
123.08060	3.8
124.07632	1.3
124.11246	1.4
127.03927	5.4
128.04138	0.9
131.08592	1.4
133.10135	2.6
135.11678	2.8
135.90689	1.0
137.05978	1.7
137.09639	1.3
145.04924	1.4
147.11723	2.2
149.09589	6.3
161.13261	1.1
174.63467	1.1
177.12740	1.4
181.12276	4.7
196.14107	1.2
207.13768	2.7
220.20605	3.5
222.22163	22.0
224.20044	6.6
225.14938	7.8
236.23706	1.5
238.21591	1.5
243.16008	3.7
248.20110	18.3
248.23701	5.1
250.21655	3.3
258.28888	1.2
264.23383	1.5
266.21487	5.3
266.24750	8.9
268.22772	5.8
274.21735	3.4
280.22424	1.3
282.24362	2.6
284.22214	31.9
284.25519	2.8
292.22800	4.5
310.23724	12.3
312.25330	1.3
328.08987	1.4
328.24814	80.8
329.25372	1.5
346.18985	2.8
346.21619	1.7
346.25851	52.5
490.30157	6.9
508.31143	100.0
509.31516	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3117
Annotation	Broussonetine A
Peak:m/z	Relative Intensity
53.03932	1.5
54.13498	0.5
55.05506	2.6
56.05027	1.5
57.03424	1.8
58.06589	0.7
61.02924	1.2
65.03927	0.5
67.05235	0.5
67.05506	6.2
69.03427	5.9
69.07072	3.6
69.79710	2.2
69.80123	1.1
70.06593	8.0
71.04988	1.4
72.08148	0.6
73.02917	0.9
74.06081	1.8
78.38899	0.5
79.05499	5.0
81.03407	3.6
81.07055	7.0
82.06564	1.7
83.08583	1.0
84.08140	2.2
85.02896	7.0
87.04457	1.1
90.12100	0.5
91.05503	2.9
93.07055	5.4
94.06573	0.6
95.04966	1.2
95.08605	4.4
96.08132	6.1
97.02901	3.8
98.09692	5.9
99.04453	0.9
105.07039	2.8
107.04952	0.9
107.08596	2.6
107.49783	0.5
108.08101	1.4
109.02878	1.9
109.10146	2.0
110.09698	1.2
114.09165	3.8
119.08574	2.0
120.08109	1.1
121.10150	1.8
122.09686	0.7
124.11163	0.8
131.08578	1.1
133.10109	1.0
134.47742	0.5
135.11731	1.3
136.07513	0.8
136.84038	0.5
138.05507	0.5
138.12752	1.9
145.10118	0.7
147.11710	0.9
152.14366	1.2
161.13269	0.6
165.05348	0.7
167.06998	2.5
175.14937	0.6
222.18640	0.6
248.23726	13.5
250.21686	12.8
266.24805	6.0
268.22681	2.2
274.21640	4.8
284.25790	2.1
292.22791	4.7
301.03265	0.6
303.05090	0.6
310.23773	16.1
328.08282	1.0
328.24829	16.3
346.09518	0.7
346.25894	20.4
409.57169	0.7
454.27994	1.5
472.29071	8.9
490.30099	7.9
508.31192	100.0
509.31256	3.7
517.66144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25130	4.9
69.25552	15.4
85.02892	6.0
103.05470	7.3
107.04953	4.7
108.05743	2.2
109.02932	1.9
120.08098	100.0
121.08476	2.4
128.81847	1.7
131.04904	2.2
135.04396	3.7
147.04518	1.8
149.05978	2.9
158.46658	1.6
163.03891	10.6
164.04187	3.0
166.08627	51.5
167.07097	1.9
183.06438	2.2
237.03001	2.2
454.50867	2.0
508.30972	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
56.76852	0.6
59.65171	0.5
67.05502	4.2
69.03419	0.9
69.07052	1.1
69.29451	6.6
71.05003	0.7
79.05482	1.2
81.07050	5.2
83.04984	1.3
85.02909	1.1
91.05470	2.0
93.07053	3.1
95.04950	1.2
95.08604	4.6
97.02886	0.6
97.06538	0.6
98.20745	1.1
105.07032	1.6
107.04915	0.7
107.08577	2.2
109.10156	8.3
117.07046	0.6
119.08591	4.9
121.06532	0.6
121.10121	1.7
122.07297	1.7
123.11707	3.1
127.03925	0.9
133.10164	1.3
135.11696	0.6
137.09616	14.4
138.09972	0.6
145.10146	0.7
147.11681	1.0
149.05980	0.6
149.09625	2.4
149.13310	0.8
151.07507	0.6
157.10139	0.7
159.11710	0.7
165.09113	100.0
166.09492	3.3
171.11662	0.8
189.09084	0.6
189.12729	0.6
191.10660	0.6
203.10721	1.4
203.18022	0.8
205.12282	3.9
215.17943	0.6
291.22873	0.6
337.23636	1.0
443.31638	0.7
489.32010	0.8
507.32721	1.6
508.20639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.3
55.05508	21.9
57.03431	8.5
57.07064	14.2
59.05005	2.8
65.03931	2.8
67.05504	100.0
69.07070	20.5
71.08627	10.7
71.32787	4.1
79.05492	38.8
81.03420	4.8
81.07056	78.1
83.04971	4.2
83.08618	20.8
85.06542	3.4
85.10178	4.8
91.05484	26.0
93.07043	46.5
94.24564	2.1
95.04969	2.7
95.08606	46.3
97.06557	4.6
97.10171	13.6
98.01077	2.3
105.07042	19.1
107.08592	26.0
109.10152	49.0
111.08083	3.7
115.70927	2.3
117.06994	5.1
119.08588	15.3
121.10128	21.9
123.11716	9.8
125.09615	10.2
127.70262	2.5
129.06883	2.6
131.08562	12.8
133.10123	11.0
135.11700	10.4
137.13216	5.4
143.08577	2.3
145.10136	8.8
147.07903	2.3
147.11671	8.0
149.13260	10.5
151.14854	2.9
159.11707	9.3
159.69203	2.1
161.13319	5.1
163.14888	2.5
171.11751	3.6
173.11719	11.3
173.13228	5.9
185.13246	2.5
187.14854	3.7
189.11166	11.0
227.12781	8.9
229.14348	26.7
243.21060	5.3
261.22067	16.8
317.24561	3.2
335.25937	18.6
379.29822	3.3
397.31137	5.1
415.32056	7.2
433.33450	3.1
471.34857	5.7
489.35681	24.6
507.39813	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.05510	16.0
57.03434	9.0
61.42962	3.2
67.05510	43.5
69.07059	14.0
69.54425	28.1
70.42137	3.0
71.05011	4.0
74.03959	3.2
77.96915	3.4
79.05496	26.2
81.07058	47.8
83.08638	5.8
91.05502	20.5
93.07045	30.8
95.05001	4.5
95.08622	35.9
98.98468	66.8
105.07035	13.6
107.08591	26.2
109.10153	13.9
119.08588	12.9
121.10156	15.7
122.79182	3.6
123.11691	4.8
126.88508	3.7
131.08553	10.7
132.52916	3.3
133.10141	10.8
135.11729	11.6
145.10162	9.0
147.11729	6.1
149.13303	6.5
155.01038	20.5
159.11702	6.1
161.13239	7.1
163.14815	7.3
167.38698	3.6
173.02069	11.8
173.13240	5.8
184.07437	4.7
243.21111	10.4
247.05759	5.5
258.03885	3.4
261.22177	15.4
272.38330	3.5
317.24808	17.2
335.25821	100.0
345.87762	3.0
471.24490	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.0
55.23091	2.4
57.03418	9.1
57.07079	3.4
67.05503	42.0
69.07044	13.0
69.47563	2.6
69.92799	4.2
69.93213	13.1
70.49693	2.8
71.08633	3.5
79.05494	25.8
81.07055	41.5
83.08595	6.2
91.05477	15.0
93.07039	28.2
95.04979	6.6
95.08611	41.0
98.20822	4.0
98.98463	75.7
105.03376	3.3
105.07018	13.1
105.76773	2.6
107.08599	17.1
109.10150	13.2
117.07011	5.5
119.08586	8.1
121.10157	12.5
123.11725	7.4
131.08568	6.5
133.10095	8.9
135.11682	10.2
145.10132	4.0
147.11729	3.1
149.13255	7.3
155.01033	6.1
157.10208	2.4
159.11700	3.5
161.13228	4.7
163.14709	2.6
172.95226	3.7
173.02092	11.9
173.13266	4.1
224.39323	2.5
243.21007	5.6
243.50687	3.2
247.05865	4.6
261.22116	9.7
317.24805	5.8
335.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94473	0.2
55.05503	0.2
56.05030	0.6
57.03436	0.3
58.06329	0.3
58.06602	0.4
60.08159	6.1
67.05502	1.1
69.07068	0.5
71.07365	2.6
79.05513	0.3
81.07059	0.6
83.08590	0.2
86.09698	29.2
87.17781	0.2
93.07014	0.7
95.08586	0.5
98.98459	3.2
104.10731	3.0
105.07029	0.4
107.08562	0.2
124.11186	0.2
124.99993	20.7
131.47485	0.2
138.92307	0.3
143.00996	0.4
163.09203	0.2
184.07324	100.0
185.07657	0.4
303.47253	0.3
323.25812	0.2
488.30902	0.7
491.65710	0.2
503.46240	0.2
506.32224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01863	2.9
55.05499	3.0
57.03426	1.7
61.02929	1.9
64.01719	0.7
67.05492	2.9
68.99767	1.4
69.03423	8.7
69.07061	2.3
70.06573	1.0
71.04978	1.7
71.57848	1.3
71.58254	1.0
73.02917	2.0
79.05492	3.2
81.03414	8.3
81.07050	5.6
83.04999	1.0
83.08639	0.9
85.02430	1.3
85.02904	16.4
85.06550	1.6
86.06053	1.0
87.00821	5.0
91.03938	0.9
91.05460	2.8
93.07056	4.4
94.57534	0.8
95.04954	3.5
95.08596	6.0
97.02888	8.2
97.06465	0.8
99.04447	4.3
105.01885	5.6
105.07007	4.2
107.04950	100.0
107.08574	3.8
109.02876	5.2
109.06538	1.2
109.10148	3.9
111.04427	1.1
111.08060	1.9
111.47091	0.7
116.10711	1.5
119.04960	1.0
119.08545	2.4
120.73487	0.7
121.06513	3.3
121.10132	3.3
123.04404	1.6
123.08055	0.8
123.11705	2.0
127.03910	11.6
129.01845	1.6
130.07787	0.8
131.04916	2.8
131.08583	1.9
133.06488	1.0
133.10074	1.8
135.04411	1.8
135.08035	1.0
135.11649	2.2
137.05978	2.0
137.09590	1.5
144.05670	1.0
145.04971	4.0
145.06444	1.8
145.10097	1.8
147.02930	1.0
147.04375	1.2
147.07977	0.9
147.11647	2.0
149.05968	10.1
151.07468	1.2
153.05450	6.6
157.10126	1.4
159.02837	4.1
159.11786	0.9
161.13225	1.1
163.03897	1.8
165.05452	1.0
165.09117	4.2
173.05946	3.7
175.07570	1.3
177.05463	2.1
189.09140	1.2
190.09378	1.1
191.07126	2.0
195.06520	2.5
212.11638	0.9
215.07018	3.6
223.20605	0.9
225.11098	1.0
229.05095	0.9
231.05098	1.3
235.20555	1.4
239.06985	0.9
253.21550	1.8
257.08334	0.7
259.09647	20.9
269.75748	0.9
283.09683	1.3
301.10666	5.2
307.28101	0.9
325.10538	1.8
345.24521	2.6
367.11804	2.8
438.88715	0.8
475.17450	1.3
507.18698	1.4
507.30856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	0.8
55.01904	1.0
55.05561	2.4
55.57415	0.6
56.05040	3.4
57.03479	2.2
61.02967	1.5
67.05504	7.5
68.05058	0.9
69.03426	6.8
69.07116	2.3
70.06590	6.4
71.04693	0.8
71.05057	2.0
71.57845	1.4
72.08195	0.7
73.02943	1.1
75.18416	0.6
79.05484	4.4
80.05071	1.2
81.03422	4.8
81.07050	7.8
82.06610	0.9
83.05033	1.1
83.08664	2.0
84.08192	1.6
85.02898	13.0
85.06585	1.4
86.09763	2.2
87.00867	0.8
87.04508	1.1
88.04070	2.0
91.05535	2.0
93.07034	4.3
95.05040	2.2
95.08601	7.4
97.02888	5.7
97.06597	1.0
97.10249	0.7
99.04496	1.4
105.07079	1.9
107.04948	8.7
107.08601	3.0
109.02890	3.5
109.10226	2.0
110.09708	1.1
111.04483	0.9
114.09254	1.0
119.08646	1.8
120.08164	1.2
121.06563	1.1
121.10210	2.7
123.04516	2.0
123.08112	1.0
123.11764	1.2
124.11275	1.4
127.03867	3.8
131.08652	1.2
133.02846	1.4
133.10167	1.0
135.04472	0.8
135.08060	0.9
135.11766	1.5
137.05971	1.0
138.05493	3.4
145.10165	1.4
147.11703	1.5
149.06056	1.3
151.04045	1.1
166.05000	4.0
166.08707	0.9
167.10930	0.7
171.11702	0.8
177.05618	1.1
179.03395	15.7
220.20604	3.0
222.22160	29.9
223.13286	1.0
224.20102	6.2
248.20059	18.5
250.25343	0.8
252.23254	0.9
254.08299	0.7
254.24036	0.9
259.09683	2.9
266.21152	13.5
282.24271	12.9
284.22189	39.1
290.21222	0.9
301.10696	0.6
303.04968	1.9
308.22101	1.4
326.23178	3.2
330.18854	0.9
344.24295	100.0
345.24707	3.5
394.06506	0.7
446.27399	0.9
470.27762	0.7
488.28146	1.3
501.77759	0.8
506.29471	40.0
507.29684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01861	6.8
55.05510	5.8
56.05028	2.7
57.03437	5.5
61.02919	5.9
67.05482	4.2
69.03424	21.5
69.07047	3.6
69.92799	5.2
69.93208	9.3
70.06585	8.0
71.04998	4.4
73.02917	5.5
79.05502	5.8
81.03416	18.9
81.07053	8.8
83.04987	6.9
85.02898	55.5
86.09727	2.7
87.00814	26.2
91.05497	5.8
93.07018	18.0
95.04980	5.2
95.08603	11.5
96.08061	3.1
97.02886	25.0
99.04447	8.6
105.01849	27.7
105.07079	6.0
107.08607	11.8
109.02872	27.2
109.06522	4.5
109.10195	3.3
111.08093	6.7
119.08598	7.7
119.83178	2.3
121.06512	4.9
121.10147	7.4
123.08031	4.5
127.03898	35.8
127.55662	2.3
133.10184	5.7
135.08040	7.4
135.11684	21.5
137.09612	42.2
139.07483	4.9
145.04959	11.9
149.05940	3.5
149.13280	8.4
153.05507	6.0
159.02937	8.0
159.11661	9.4
163.11171	5.5
167.07127	3.1
177.12743	59.7
181.08571	13.4
189.03941	2.7
195.13800	100.0
205.12273	9.7
213.03928	8.6
223.13278	70.5
224.20088	2.9
231.04996	14.3
241.14310	35.7
242.05727	3.2
249.06000	3.1
264.23206	3.3
284.06805	3.5
290.21231	3.4
315.98822	2.9
326.23291	6.0
344.24411	6.0
385.85193	2.5
453.17905	3.1
477.85138	2.6
488.28622	6.9
506.29453	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.05500	14.9
57.06784	2.9
57.07073	47.0
57.84998	1.8
65.03913	2.5
67.05504	31.4
69.03448	2.5
69.07063	11.1
69.40260	4.3
69.40668	18.6
71.04948	2.1
71.08633	33.3
79.05500	13.4
79.10109	1.8
81.03414	100.0
81.07056	35.9
81.55082	1.9
83.04986	3.5
83.08614	32.0
85.10181	18.2
91.05483	22.7
93.07034	11.3
95.04968	27.8
95.08605	30.3
97.06437	1.7
97.10179	6.5
103.90401	1.9
105.07027	15.6
107.04948	6.5
107.08606	2.7
107.60880	2.2
109.10148	17.0
111.08083	7.0
117.07069	2.1
119.08572	10.7
121.06517	3.3
121.10149	7.7
123.11717	7.7
129.07011	9.2
131.08569	7.3
131.46371	2.0
133.10124	7.1
136.34534	2.3
137.09644	2.5
137.13318	3.5
141.81352	2.0
142.07828	3.5
147.11708	8.4
149.09656	4.9
157.10147	9.8
175.11240	8.9
193.12241	50.6
235.12984	2.0
239.23730	7.2
249.15002	4.5
257.72452	2.0
289.81064	2.2
505.38937	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.05505	3.7
57.03416	1.5
57.07074	3.4
67.05502	4.6
69.07076	3.1
71.08619	1.7
71.58299	0.6
71.58731	0.5
79.05483	2.5
81.03410	6.0
81.07059	4.9
83.04989	0.4
83.08622	4.5
85.10179	1.1
89.03903	6.1
91.05492	2.6
93.07056	2.7
95.04961	1.8
95.08613	4.6
97.10155	1.6
105.07010	1.6
107.08580	1.1
109.10165	2.7
117.03377	18.0
119.08549	1.8
121.06506	0.5
121.10135	1.4
123.08049	0.6
123.11696	0.9
129.06955	1.0
131.08551	1.3
133.10132	0.8
134.03618	1.1
135.04427	1.4
135.11702	1.0
145.02846	44.8
147.11609	1.0
149.05989	5.3
157.10115	0.8
157.29288	0.4
159.11723	0.5
162.03094	0.5
163.03979	0.6
173.11661	0.5
175.11147	1.3
177.05467	100.0
178.05809	1.1
186.05516	2.1
193.12216	2.5
195.06436	1.8
197.04146	0.5
229.14267	0.6
239.23734	0.7
311.25729	0.5
505.31494	2.4
505.38721	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3521
Annotation	Clethric acid
Peak:m/z	Relative Intensity
55.01881	34.6
55.05312	5.0
55.05510	59.1
56.24123	5.0
62.19482	5.8
67.05506	92.1
69.03414	7.2
69.07069	58.8
69.32845	40.4
69.33276	19.5
71.04985	9.1
79.05494	71.0
80.73076	6.4
81.07058	100.0
83.04980	12.7
83.08621	46.4
91.05497	75.3
93.07050	76.8
95.04931	21.3
95.08610	64.5
97.06530	48.8
97.10149	35.2
105.07035	70.8
107.04936	22.1
107.08595	64.2
109.06506	15.0
109.10143	37.6
111.08046	11.6
115.05460	7.2
117.07022	40.9
119.08585	53.0
121.06490	14.3
121.10150	35.7
123.08047	9.0
123.11678	12.5
125.09604	29.9
129.07004	20.2
131.08583	52.7
133.06474	9.7
133.10126	45.2
135.08029	11.0
135.11665	22.4
137.09630	8.5
143.08577	30.2
145.06474	6.8
145.10136	38.0
147.08006	7.7
147.11708	23.0
149.09581	14.4
149.13223	7.0
153.09032	7.2
155.08517	8.4
157.10120	21.3
159.11699	27.3
161.09604	13.3
161.13208	11.4
163.07549	7.0
163.11234	10.8
167.08531	12.4
169.10126	10.7
171.11646	17.5
173.09615	8.7
173.13177	14.1
183.11659	13.4
185.09691	7.5
185.13263	20.9
187.11096	11.7
187.14969	6.6
189.11259	13.3
189.12823	10.5
197.13162	13.8
199.14832	9.2
204.01901	6.5
211.14856	8.9
212.94617	6.0
223.60518	6.0
261.32785	6.8
275.20148	38.7
287.19714	6.4
293.21204	12.0
299.23685	9.4
301.21564	20.4
319.22769	7.4
322.75589	6.4
339.23254	8.2
357.24124	16.9
375.25159	18.5
416.61279	6.1
423.32581	7.4
433.30893	19.8
451.32285	35.7
459.34381	12.1
469.33145	67.6
487.34207	65.7
505.34842	22.6
511.46033	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2643
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
62.05066	2.3
67.05502	8.5
69.03413	3.8
69.07056	4.2
69.64599	2.7
69.93050	14.6
70.06599	6.0
74.21868	2.1
79.05505	3.8
81.03405	2.3
81.07043	8.8
82.07384	3.0
83.04984	3.4
84.08107	3.5
93.07028	5.5
95.04983	4.1
95.08607	9.8
97.02889	3.2
100.31606	2.2
103.96555	2.3
107.08597	4.0
107.91006	2.4
109.02929	2.7
109.10175	10.6
119.08606	5.3
123.11689	3.1
133.10155	4.6
135.11673	9.4
137.05891	2.6
163.07521	2.7
193.15921	7.7
211.16972	8.6
250.25226	7.6
251.25690	7.2
252.23183	3.4
253.23470	12.4
270.53610	2.6
276.23297	3.1
277.23669	8.6
294.24500	3.0
295.24612	2.8
312.25424	2.4
313.25604	11.4
330.26224	2.9
331.26831	6.2
451.28763	2.6
469.29849	7.4
487.30905	19.0
505.32007	100.0
530.87598	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60941	1.3
55.01858	4.7
55.05512	8.3
63.37167	1.4
65.18100	1.4
67.05502	14.5
68.99786	4.0
69.07064	58.2
69.68890	2.5
69.69302	7.4
73.43163	1.9
79.05497	12.2
81.03404	1.8
81.07056	17.9
83.04971	2.3
83.08632	3.9
90.36378	1.5
91.05463	8.7
93.07037	8.9
95.04960	3.2
95.08588	8.8
97.06521	4.1
97.10182	2.4
98.21601	1.6
105.07054	7.3
107.04960	2.7
107.08585	6.3
109.06552	1.7
109.10175	3.5
109.96586	1.4
111.12935	1.5
115.05450	1.5
115.40990	1.6
117.07021	4.9
119.08571	4.4
121.06458	2.1
121.10152	3.3
123.04420	6.9
125.09653	3.4
127.03919	1.6
129.06981	2.2
130.15904	3.2
130.63257	1.6
131.08562	4.1
133.06500	1.5
133.10129	5.2
135.11671	3.8
137.02332	12.6
137.05965	2.3
141.06955	2.7
143.08572	1.8
145.10155	1.7
147.04431	9.1
147.11642	1.7
149.05997	4.7
149.13235	2.5
153.06934	4.0
155.08549	2.8
157.10127	2.1
159.11664	2.6
161.06003	4.5
165.05669	1.3
165.07045	6.1
167.08586	3.7
168.05705	2.6
169.06519	2.0
169.10249	1.6
171.08118	2.1
171.11574	1.8
173.05984	4.2
177.12718	2.8
179.08621	1.7
181.06526	3.2
183.08043	5.9
185.06030	1.8
185.13219	1.6
187.07573	3.3
191.08713	2.0
191.10616	4.2
194.07326	2.7
195.08104	4.0
197.06041	8.9
197.09674	4.0
199.07504	6.6
209.05994	2.7
210.06795	3.0
211.07472	12.4
213.05403	1.6
213.09097	2.0
219.08035	3.7
221.06079	1.6
222.06740	2.4
223.07535	6.5
225.09171	4.3
226.59821	1.7
227.07043	2.4
235.07558	5.1
236.08206	2.0
237.05450	2.1
237.09114	5.0
239.04565	1.6
239.07024	31.8
240.07701	3.1
247.07457	7.1
249.09047	2.6
250.06305	3.4
251.06952	8.2
252.07825	2.9
253.04898	2.9
253.08803	3.2
255.06483	24.4
261.09058	2.5
263.07007	6.8
264.07794	3.6
265.04901	3.1
265.08618	8.5
266.05798	6.4
267.06512	76.0
268.07230	6.1
269.08057	36.5
273.09003	1.8
275.07208	2.8
276.07565	1.7
277.08557	5.3
278.05844	3.1
279.06534	42.1
279.09686	1.7
280.07159	6.1
281.08032	11.9
289.08603	3.6
291.06522	4.8
291.10132	2.9
292.07300	14.0
293.08075	53.1
295.09720	7.2
295.12708	1.6
303.13602	1.9
305.08066	10.4
306.08725	4.3
307.09668	20.4
307.13049	3.0
308.10519	1.7
309.14813	1.6
311.12805	3.2
319.09689	8.7
321.11237	10.3
321.14346	2.0
323.12769	52.0
327.16229	2.0
333.11108	3.7
335.12778	16.5
347.12772	10.8
349.14240	15.0
375.19388	2.8
403.18958	23.6
413.17386	3.0
417.16852	3.9
418.17603	1.9
419.18472	12.5
431.18466	17.5
435.17841	6.1
436.18851	7.3
437.19498	12.2
449.19559	100.0
450.19864	2.7
469.23685	4.6
469.33020	3.9
487.24713	21.8
487.34302	2.4
505.25824	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01862	1.7
55.05505	1.4
63.57460	0.6
67.05492	1.8
69.03417	1.6
69.07055	1.3
70.06591	0.9
71.04999	0.7
71.57268	0.6
71.57684	0.8
73.02884	0.6
76.02239	0.6
79.05482	4.2
81.03388	1.9
81.07064	3.1
81.19806	0.5
83.04955	0.8
83.08588	0.7
85.02905	3.4
86.09696	4.0
91.05458	3.9
93.07037	1.8
95.04953	1.9
95.08590	1.9
97.02879	1.2
97.06535	0.9
103.05442	4.4
105.07025	9.7
107.04942	3.2
107.08593	1.8
107.33743	0.6
109.02868	1.2
109.10126	1.8
115.05436	1.7
119.04961	0.9
119.08571	1.5
120.05709	0.6
121.10059	1.0
123.08096	1.0
127.03928	1.0
128.06221	0.8
129.07001	1.5
131.04912	2.1
131.08562	0.8
133.06471	2.4
133.10088	1.1
135.08046	1.3
137.05942	1.7
137.09570	1.8
143.06143	0.6
145.06471	1.0
147.04398	1.1
147.08067	1.2
147.11667	0.7
148.05171	0.7
149.02261	0.7
149.05959	1.4
149.09598	0.6
151.07535	4.1
159.08018	1.0
161.02464	0.7
161.05972	1.7
161.09586	0.7
163.07535	100.0
164.07828	1.4
165.05327	0.7
165.09119	10.7
167.07124	1.0
174.06787	1.5
175.07530	12.6
177.09158	1.1
179.07094	0.9
181.08592	14.5
187.07483	1.3
189.09116	16.2
193.08611	4.3
199.07468	1.3
205.12346	0.8
207.10143	5.7
214.04958	0.9
215.06931	1.0
229.08585	0.7
283.11761	2.7
323.13019	0.9
325.12988	4.3
330.06100	1.3
343.11694	0.7
343.15454	11.5
361.07462	0.6
362.08676	1.1
367.15402	1.8
367.56668	0.7
476.18625	0.9
487.19064	0.8
505.16940	3.7
505.32657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43824	0.8
53.03928	0.9
55.01871	1.6
55.05500	1.6
56.30015	0.7
57.02317	0.7
67.01854	4.4
67.05499	1.6
68.72132	0.7
68.99783	1.8
69.03414	3.4
69.07050	1.4
71.04990	0.7
71.57869	1.6
79.05468	2.0
81.03423	4.1
81.07043	2.4
85.02903	6.5
87.00839	1.3
91.05450	3.2
93.07039	1.5
95.08585	2.7
95.11215	0.6
97.02867	2.8
97.06499	1.0
99.04445	1.3
103.05457	6.1
105.01853	1.3
105.07014	2.9
107.04957	2.2
107.08586	2.0
109.02851	2.9
109.10133	1.9
111.33569	0.7
119.08622	1.7
121.10126	1.0
123.04437	1.0
127.03895	3.8
129.01816	0.9
131.03922	0.9
131.04912	18.6
131.08527	1.2
137.05942	1.4
137.09579	1.2
145.05016	1.6
145.10088	1.2
147.02882	0.8
149.05972	1.2
151.03885	0.9
153.01811	47.1
155.08617	0.8
157.10104	0.9
159.02861	1.4
161.05954	0.7
163.03937	0.9
163.07581	0.9
165.09200	1.2
171.02872	34.3
173.06012	1.5
179.03450	1.2
179.07057	0.7
195.02910	0.9
203.06938	1.2
203.10547	0.9
215.07120	1.2
217.06157	0.8
243.15056	0.7
256.02847	0.9
257.08057	100.0
258.08429	1.1
505.18533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48383	0.3
53.03939	0.4
55.01866	0.3
55.05509	4.0
57.03435	0.4
57.93758	0.3
58.06607	1.7
65.03923	0.9
67.05504	8.6
67.70531	0.3
69.03418	1.7
69.07069	2.5
70.05290	0.7
70.05686	0.9
70.06593	6.9
71.04989	0.5
72.08154	1.7
74.06076	2.8
79.05499	3.6
81.03416	0.4
81.07056	9.8
83.04976	3.6
83.08608	1.4
84.08138	4.6
85.02911	1.8
85.06521	0.4
91.05479	1.5
92.98923	0.4
93.03394	1.1
93.07044	3.3
95.04970	2.5
95.07990	0.4
95.08607	7.1
96.08120	1.5
97.02896	0.7
97.06533	0.6
97.08912	0.4
97.10209	0.4
98.09690	3.2
99.04458	0.5
102.97034	0.3
105.07019	1.1
107.08595	2.4
108.08168	0.4
109.10151	2.5
110.09690	0.6
111.04437	3.8
111.08028	0.6
111.91872	0.3
119.08585	1.2
120.08125	0.4
121.02819	0.5
121.10120	1.7
123.11706	0.6
127.03921	0.5
129.05464	1.0
129.07060	0.4
131.08594	0.8
133.10130	0.8
135.11693	0.8
138.12767	0.3
139.03893	1.6
145.10121	0.7
147.11742	0.6
149.13272	0.4
157.04945	0.4
157.12115	0.3
158.97272	0.3
167.06993	0.4
173.13272	0.4
178.51460	0.3
191.10843	0.3
201.14365	0.4
222.22145	0.4
248.23735	1.6
250.25288	16.8
251.25441	0.3
252.23230	16.3
253.23447	0.6
268.26343	3.4
270.24280	2.6
276.23215	12.5
284.22314	0.4
294.17532	0.4
294.24283	8.4
312.25314	12.9
313.25583	0.7
330.26321	5.3
336.25446	1.8
342.22650	0.7
354.26324	4.8
366.84879	0.3
372.27472	1.3
381.30127	0.3
422.29150	0.8
440.30023	2.5
450.28406	2.1
458.31161	1.4
468.29550	7.3
468.35699	0.6
486.30597	20.4
487.30884	0.6
504.31644	100.0
505.31778	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22069	0.6
53.03940	1.3
55.01862	1.1
55.05510	4.8
56.05033	2.1
58.06593	2.0
61.02897	1.1
65.03925	1.8
67.05502	9.8
69.03431	4.8
69.07069	3.9
69.35343	7.3
70.06587	9.5
71.04992	0.7
72.08154	1.7
74.06073	2.0
79.05493	4.8
81.03419	1.7
81.07050	11.4
81.72818	0.7
83.04985	5.4
83.08610	1.6
84.08153	5.6
85.02911	6.1
86.03239	0.7
91.05479	3.0
93.03393	1.1
93.07069	4.7
94.04171	0.8
95.04961	2.2
95.08600	8.9
96.08127	1.9
97.02901	2.2
98.09679	4.1
98.20712	1.3
103.05480	1.3
105.07035	2.3
107.08589	2.7
108.08151	0.8
109.02885	1.4
109.06473	1.0
109.10137	4.0
111.04453	3.3
116.10715	0.7
117.07034	0.6
119.08627	1.1
121.06554	0.7
121.10145	2.1
122.03645	1.6
123.11735	0.9
127.03893	1.5
131.04890	0.8
135.11702	1.6
137.05975	17.3
138.06319	8.8
139.03912	1.6
145.02885	1.1
145.04959	1.0
161.06021	1.9
162.06352	1.1
163.07529	1.4
175.07524	5.6
176.07852	3.6
177.05481	1.7
187.07463	1.0
188.08012	0.8
192.08923	1.1
199.07535	2.7
200.07939	1.6
203.08429	1.3
219.08150	1.0
220.08463	1.7
220.17918	0.6
231.08014	1.3
232.08475	2.0
247.07422	0.7
248.07936	0.9
248.23715	1.3
250.25288	18.0
252.10849	1.3
252.23210	19.0
252.25771	1.1
253.11026	1.9
253.23488	0.8
260.07596	0.8
264.11099	1.2
268.26303	4.2
270.05331	1.8
270.24274	4.0
276.23239	11.0
277.08316	0.8
278.08917	0.9
280.10568	1.3
287.05478	2.6
291.10126	1.2
292.10553	3.2
293.11154	1.4
294.24307	9.8
309.11185	0.8
311.12827	1.1
312.13074	3.4
312.25275	19.0
323.12769	1.2
324.13052	4.1
330.26318	8.6
336.25223	1.7
342.10748	1.1
342.22617	1.2
354.26379	2.4
428.55972	0.7
440.30020	4.6
444.29611	1.2
450.28510	1.9
458.31018	3.3
468.29556	8.5
486.30606	23.1
504.31650	100.0
505.32111	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13969	0.3
53.03931	0.5
55.01854	0.3
55.05512	3.8
56.05022	1.1
57.03432	0.9
58.06601	2.2
58.49204	0.4
61.02892	0.5
65.03928	0.7
67.05503	8.9
69.03426	2.2
69.07060	2.9
69.82688	0.3
70.06590	19.0
71.04970	0.6
71.57638	0.4
71.58051	0.6
74.06074	0.4
79.05504	3.2
81.03400	1.5
81.07055	8.8
82.06592	0.7
83.04985	3.4
83.08614	1.5
84.04496	0.4
84.08124	1.0
85.02904	2.6
85.06534	0.7
85.07636	0.8
86.09694	0.9
91.05455	1.8
93.03407	0.8
93.07043	3.7
95.04969	2.7
95.08606	8.4
96.08136	1.9
97.02885	1.6
97.06489	0.8
97.10131	0.6
98.09731	1.8
105.07022	1.6
107.04934	0.9
107.08578	2.3
109.02862	0.8
109.06517	0.9
109.10162	3.3
110.09669	0.7
111.04448	3.0
114.09119	0.4
119.08562	1.2
120.08079	0.4
121.06481	0.4
121.10156	1.8
122.09667	0.6
123.11687	0.7
124.07635	0.5
127.03912	1.2
129.05472	0.9
131.04822	0.4
131.08574	0.8
133.10094	1.2
134.10507	0.4
135.08067	0.6
135.11685	1.1
137.05945	2.4
137.09561	0.5
139.03893	1.1
147.11650	0.8
151.03911	0.4
161.05966	0.5
161.13266	0.5
163.03911	0.4
163.11169	0.4
167.03429	0.5
167.07033	0.5
168.03654	0.4
170.15378	0.7
175.07481	0.6
176.07893	0.4
189.09097	0.5
207.13716	0.4
211.06725	0.5
219.08026	0.4
221.08141	0.4
221.15331	0.4
222.21964	0.5
229.81319	0.4
244.66547	0.4
248.23741	1.3
250.25298	21.4
252.23222	28.9
253.10968	2.2
253.23524	0.5
268.26358	2.9
270.24255	3.4
276.23242	8.8
294.24268	9.7
306.27914	0.5
312.25302	23.2
313.25739	0.7
323.12552	0.4
324.25327	0.6
324.28946	1.3
325.10718	0.8
330.26346	7.9
336.25323	1.5
342.22806	1.2
342.30008	1.1
354.26382	8.2
372.27374	0.6
422.28790	0.6
424.30374	0.6
440.30038	5.9
450.28690	2.2
458.31241	2.2
468.29578	15.4
469.29904	0.9
486.30624	20.0
487.30911	0.6
504.31622	100.0
505.31870	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.298
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
65.17451	0.9
67.05495	3.4
69.07060	1.6
71.57995	1.8
79.05485	1.7
81.07051	2.0
81.88733	1.0
91.05826	1.4
93.07006	1.3
93.82715	1.0
95.08588	1.4
98.98455	1.4
105.07041	2.2
109.10149	1.5
116.26596	1.2
119.01021	1.7
119.08592	1.6
121.02933	1.5
133.10165	1.2
145.10152	1.1
179.14255	1.1
193.12512	1.0
194.62036	1.1
195.03078	1.0
195.09856	2.4
262.11755	3.6
299.06134	1.6
331.18597	2.7
331.26364	2.8
428.41711	1.0
428.51389	1.0
440.18121	0.9
503.29730	100.0
504.30295	3.9
525.36090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.6
56.96560	5.3
57.03431	19.6
65.03958	3.6
67.05512	5.2
69.03413	10.5
69.07066	5.5
69.95084	8.0
69.95501	10.0
70.06585	4.8
71.04975	21.9
79.05498	9.0
81.03410	10.8
81.07059	43.4
82.06562	3.7
83.04994	4.2
85.02921	23.7
86.70747	3.0
87.00837	6.5
93.07034	5.8
93.48225	2.9
95.04962	4.9
95.08576	7.3
97.02901	12.0
98.97592	6.6
99.04460	3.4
99.08092	100.0
102.76045	3.1
104.23727	2.8
105.01850	6.2
105.03400	15.6
105.07025	9.9
109.02841	4.1
111.04453	3.4
116.10716	3.3
117.09125	51.3
119.08560	4.9
121.02862	9.6
121.10138	5.3
123.04415	5.4
127.03909	13.3
133.10184	3.8
145.04951	5.2
146.77217	2.9
149.01231	6.1
164.42636	3.3
175.14861	3.7
177.00693	3.2
221.11713	6.7
221.15404	3.4
239.12785	17.0
242.11356	4.1
258.30313	2.8
259.12048	3.8
260.12537	6.4
280.33319	3.2
498.37173	3.2
504.18665	48.9
504.31256	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
57.79375	0.5
65.03932	0.7
67.05509	0.8
69.03426	1.3
69.07072	0.8
71.04984	0.6
79.05525	0.8
81.03423	0.8
81.07042	1.3
85.02909	3.4
91.05470	10.0
93.07043	1.0
95.08667	0.7
97.02914	0.9
105.07022	1.1
107.08601	0.8
109.10176	0.7
117.07048	1.2
119.04951	14.7
119.08638	0.5
121.06497	0.7
123.04428	1.7
127.03911	1.6
133.10109	0.8
137.05954	1.1
145.04956	0.8
145.06468	1.0
149.05980	87.2
150.06380	1.8
151.07538	1.2
161.05983	1.1
163.07556	2.0
165.09171	0.5
175.07541	10.6
201.26443	0.6
205.12238	100.0
206.12613	2.6
229.71965	0.6
231.13779	9.5
243.05455	0.6
247.44000	0.6
255.06508	0.9
267.06543	0.7
285.11249	5.6
299.06116	0.8
341.17462	9.8
447.16513	1.1
490.29413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.6
55.05495	4.4
57.03423	3.6
59.27173	2.4
67.05495	6.5
69.03419	9.9
69.07060	6.7
69.59358	16.3
71.04971	8.3
79.05479	7.5
81.03407	6.8
81.07063	19.8
83.04992	2.7
83.08618	2.8
85.02889	13.8
85.06568	3.0
87.00816	5.8
91.05453	3.4
93.07043	10.9
95.04937	6.2
95.08611	12.6
97.02875	5.4
97.06539	3.2
99.08140	4.5
100.11266	4.0
105.01855	3.2
105.07014	18.5
107.08597	12.0
109.02856	4.8
109.10175	9.1
111.08121	2.7
119.08607	7.9
121.10129	7.3
123.04373	2.7
123.11716	6.0
125.09663	6.7
127.03902	10.5
127.60842	2.5
131.04929	3.2
133.10149	13.1
135.11696	2.5
137.05989	6.9
143.10677	9.0
145.10150	3.6
147.04408	2.6
147.11682	6.8
149.05943	4.5
149.13307	4.0
151.11154	3.4
157.10181	2.8
159.11714	6.4
161.13194	4.1
163.07565	15.6
163.11153	2.7
164.07085	3.8
165.09140	5.8
167.14328	8.5
181.08551	6.9
203.06793	41.6
204.07150	30.6
205.07344	18.2
219.17456	5.7
221.64145	2.8
237.18524	6.6
245.06503	3.4
255.06499	27.3
255.15852	3.4
312.77777	2.7
323.09683	5.0
331.09695	2.7
340.12448	3.8
341.13577	5.7
367.10062	3.4
416.96313	2.7
417.20987	5.7
459.22058	16.0
503.17349	100.0
507.49478	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20990	0.7
57.03417	1.1
58.92196	0.6
69.03431	3.6
69.07080	0.7
69.91223	4.6
70.06593	0.9
72.08134	1.2
73.68423	0.8
79.05479	2.6
81.03401	1.7
81.07046	1.4
84.08139	1.6
85.02901	6.7
86.09706	2.1
87.84163	0.7
91.05433	5.7
93.07034	0.8
94.04174	2.6
95.04941	0.8
97.02879	2.3
98.21484	1.1
101.95632	0.6
103.05473	2.1
104.06284	0.9
105.07043	4.9
105.99384	0.7
107.04941	2.1
107.08555	0.8
109.02878	1.2
109.06500	3.0
115.05485	3.5
117.07027	1.5
119.04963	1.3
119.08557	2.5
122.03655	5.7
124.03978	0.8
127.03920	1.6
128.06229	1.5
129.06990	1.8
131.04915	2.9
132.05716	1.8
133.06514	4.2
137.05974	100.0
137.92084	0.8
138.06352	1.3
141.07008	0.9
143.04935	0.9
145.04895	1.0
145.06500	1.0
146.03711	0.8
147.04408	3.3
147.08002	3.8
149.05995	3.0
151.07603	0.8
157.01222	0.9
157.06506	1.2
159.08076	2.4
160.05193	2.1
161.05972	12.8
163.07573	1.1
167.05586	0.9
167.06941	1.1
171.08049	1.4
175.07547	28.5
179.07138	1.2
184.05252	2.1
187.07549	9.2
189.07069	0.8
190.07785	1.8
191.08583	6.4
191.14264	1.0
195.08109	0.8
199.07521	9.5
202.07794	3.9
203.08553	5.3
205.06387	1.0
217.08633	1.2
218.07306	1.9
219.08051	9.6
220.08815	3.1
231.08070	6.6
232.08916	1.4
235.11346	1.0
236.08412	1.9
247.07455	4.3
248.08369	2.9
251.10654	10.0
251.12985	1.2
259.07571	4.2
260.08298	1.3
263.10632	3.8
264.07874	1.2
265.08594	1.0
276.07693	1.6
277.08783	1.8
279.10129	8.8
280.10751	1.2
291.10165	10.5
292.11020	2.1
295.13303	1.4
296.10645	1.6
299.05951	1.0
311.12781	20.8
323.12778	15.3
341.13846	1.4
375.81152	0.8
401.59204	0.8
503.20224	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1908
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
53.03935	0.9
55.05503	0.7
57.03416	0.7
61.02916	1.7
65.03934	1.5
65.85571	0.5
67.05496	0.9
69.03436	2.6
69.07049	0.8
69.30845	4.2
69.31259	1.0
81.03412	1.4
81.07060	1.1
83.05450	0.5
85.02906	8.0
87.57626	0.5
91.05470	2.1
93.03404	1.0
93.07050	0.8
95.08550	0.7
96.01736	0.4
97.02897	2.5
105.07013	0.6
107.04942	0.8
107.08607	0.7
109.02834	0.9
109.10165	0.5
119.04932	1.9
119.08541	0.7
121.02872	1.5
121.10107	0.7
127.03922	1.5
131.01277	1.4
133.06564	0.6
137.05962	1.3
141.06995	0.6
145.04942	0.7
145.10152	0.5
149.01149	0.8
149.02338	17.1
149.03503	1.0
149.05968	10.3
163.03902	1.2
163.07565	0.7
165.06990	0.7
167.03397	70.8
173.09612	0.6
175.07495	1.1
197.05981	0.9
199.07617	0.5
205.08592	100.0
205.12064	9.7
206.08852	1.7
211.07516	1.6
213.05420	1.8
231.13739	1.5
239.07063	1.7
242.14178	0.5
267.06503	62.5
268.06921	0.9
285.07498	4.5
287.65353	0.5
299.06113	0.8
323.12759	4.5
341.13846	5.9
341.17435	0.8
361.39276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
51.15332	0.7
65.03921	1.4
69.03409	0.8
69.07056	0.8
69.83527	2.9
69.83936	1.1
76.60856	0.6
78.45190	0.6
79.05470	1.0
81.03415	1.4
81.07033	1.9
91.05413	0.8
93.03378	0.9
93.07037	1.4
93.21134	0.6
95.04951	0.6
95.08602	1.7
102.45710	0.6
105.07053	1.4
107.04947	1.1
107.08575	1.3
108.01555	0.6
109.06497	0.7
109.10155	0.9
117.07055	0.6
121.02840	1.7
131.01282	1.5
135.08011	0.6
135.11700	0.6
137.05949	1.2
149.02335	16.9
149.05869	1.2
157.10133	0.9
160.37305	0.6
163.03909	0.8
165.09137	1.1
167.03398	58.4
175.07430	0.8
197.05949	1.1
203.10725	0.8
205.08598	100.0
206.09024	1.4
211.07516	0.9
213.05498	1.8
239.06987	1.5
251.11401	1.0
255.06728	1.0
263.11234	1.1
267.06512	52.8
268.06845	1.6
269.12234	2.0
281.12350	3.8
285.07614	3.8
299.06216	1.2
323.12665	3.7
338.87973	0.7
341.13809	14.4
344.97916	0.8
405.49738	0.6
503.19669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.01865	0.7
56.14665	0.5
65.03937	0.7
67.05501	0.6
69.03422	1.1
69.07050	1.2
69.45248	5.1
79.05488	1.0
81.03405	1.6
81.07037	2.3
85.02898	3.4
91.05429	2.8
93.07028	1.5
95.04945	1.1
95.08599	1.8
97.02853	1.5
99.04465	0.5
105.03362	0.6
105.07034	1.4
107.04927	0.9
107.08556	1.4
109.06509	1.7
109.10157	1.2
115.05363	0.5
115.29711	0.6
117.06962	0.6
119.04934	2.1
119.08564	1.7
121.10128	0.8
123.11738	0.8
127.03880	1.2
128.06148	0.7
129.06995	1.3
131.08595	0.7
133.06534	1.1
133.69890	0.6
135.08081	0.7
137.02333	1.0
144.05704	1.0
147.04408	7.2
147.08063	5.5
149.02341	3.6
151.03888	1.7
157.06462	0.9
160.05135	1.0
161.02335	12.1
161.05949	4.3
161.09627	0.5
163.03870	2.1
167.03397	10.1
175.03902	2.3
175.07510	3.4
185.05945	4.3
203.07021	100.0
204.07362	1.7
221.08069	4.3
227.07155	0.6
255.06670	0.8
269.08051	2.0
281.11700	0.8
323.12756	71.4
324.13098	1.0
338.85098	0.6
341.13870	2.8
370.23553	0.6
371.97794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
65.03937	1.2
67.05495	1.5
68.87865	1.1
69.03421	2.6
69.07059	2.1
70.26041	3.3
73.75355	1.2
79.05477	2.6
81.03409	1.5
81.07044	4.5
85.02893	5.4
85.06493	1.2
91.05410	2.3
91.41154	1.2
93.07060	1.4
95.08601	3.7
97.06525	1.7
105.07034	2.9
107.04931	1.4
107.08604	1.8
109.02882	1.8
109.06496	2.6
109.10145	2.5
119.04927	3.6
119.08599	2.2
123.04491	1.6
127.03856	1.8
128.06163	1.7
129.06973	1.4
131.08556	1.7
131.49516	1.3
137.05951	2.8
147.04401	9.6
147.08031	5.4
147.11659	1.3
149.02313	7.4
151.03914	1.7
159.08043	1.9
161.02364	10.5
161.05992	7.6
163.03961	1.6
163.07504	3.8
167.03403	22.7
170.75232	1.3
175.07545	3.9
181.08540	3.2
185.05948	4.4
193.98122	1.3
203.07028	100.0
205.08585	14.5
221.08057	5.1
255.06491	2.2
267.06528	5.8
269.07990	2.4
299.06140	1.6
323.12781	73.4
341.13693	7.7
381.51834	1.4
470.16925	1.4
503.16534	1.4
518.73328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
57.97584	0.7
61.02925	0.8
67.05504	3.0
69.03436	2.4
69.07055	2.6
69.45704	6.3
71.05008	1.1
79.05499	3.1
81.03425	2.4
81.07060	5.2
81.07450	0.9
81.92785	0.7
85.02911	4.2
91.05457	4.3
93.07044	2.8
95.01338	1.3
95.04947	0.9
95.08598	4.1
95.89057	0.8
96.95638	0.9
97.02938	1.0
98.21535	1.2
105.03365	0.9
105.07055	2.4
107.04945	1.3
107.08591	2.2
109.02921	1.0
109.06538	2.5
109.10181	1.5
117.07014	1.3
119.04936	3.8
119.08589	3.4
121.02839	1.0
121.10093	1.1
123.04472	1.4
123.11682	1.6
127.03938	2.0
129.06982	3.8
131.08588	1.4
133.02861	0.9
135.08041	1.1
137.13251	1.0
141.06999	1.1
144.05728	1.7
147.04411	9.0
147.08029	5.6
147.11601	0.9
149.02332	4.6
151.03926	1.8
157.06433	1.2
160.05188	1.1
161.02344	14.6
161.03587	1.3
161.05954	5.6
163.03946	3.3
167.03409	11.0
167.05576	1.2
175.03929	2.1
175.07565	3.5
185.05971	6.0
187.03859	1.2
188.04601	1.5
197.06036	0.9
203.07033	100.0
204.07370	2.1
215.23003	0.8
221.08115	3.5
222.48148	0.8
227.07120	0.9
248.34761	0.8
255.06595	1.1
269.08099	3.1
299.06158	1.2
323.12772	77.9
324.12769	1.1
341.13821	4.5
485.21967	1.4
503.29739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
55.01868	3.5
55.05502	5.8
57.03423	3.5
61.02920	3.6
62.80201	2.2
67.05499	8.4
69.03426	13.4
69.07086	5.7
70.06577	6.5
71.04978	4.7
71.16708	5.6
78.29472	2.5
79.05479	6.4
81.03409	8.5
81.07070	17.4
83.04958	5.2
85.02902	24.3
86.09710	4.0
87.04495	3.0
91.05463	10.5
93.07030	7.2
95.04959	5.1
95.08594	10.9
97.02890	11.1
97.06513	3.8
99.04477	3.7
99.08107	2.8
103.05419	3.9
105.07024	9.4
107.04933	3.3
107.08598	9.8
109.02880	7.7
109.06496	7.8
109.10142	11.6
115.05458	4.2
117.07016	3.4
119.08575	9.1
121.10123	9.0
122.03623	7.8
123.04431	15.7
123.11700	6.5
127.03934	8.1
128.06226	3.6
129.07013	3.0
131.04897	4.8
131.08525	3.8
132.05754	4.9
133.06485	4.1
133.10115	7.0
135.11656	2.9
137.05975	100.0
147.04352	3.1
147.08098	6.8
147.11639	3.4
149.05974	4.5
149.13268	5.0
151.11212	3.7
159.11740	4.8
161.05959	14.1
163.07533	7.8
165.05475	3.7
167.03435	9.3
175.07549	45.1
177.05528	3.4
177.09087	3.2
179.03381	2.7
187.07561	9.7
189.09106	4.2
191.08522	6.0
199.07585	16.5
201.09171	4.3
202.07796	5.1
203.08549	10.7
205.08635	12.1
219.08070	6.4
219.10117	6.2
220.08601	3.3
231.08041	8.6
231.10149	6.0
237.18507	8.1
248.08351	7.0
251.10716	7.0
258.33856	2.6
259.07483	5.9
263.10587	5.9
267.06558	4.5
277.08609	4.6
279.10312	5.8
291.10019	14.1
292.10971	6.7
311.12643	20.7
323.12738	21.4
341.13779	6.4
341.21387	3.2
503.19284	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.1
67.05471	2.0
68.86297	1.4
69.03426	3.3
69.07076	2.0
70.15275	7.8
71.05002	2.0
71.12886	1.4
79.05492	4.3
81.03398	3.6
81.07059	3.7
81.61932	1.6
84.08073	1.8
85.02900	8.9
86.09697	2.0
91.05497	4.9
93.07050	3.3
95.04988	3.6
95.08595	3.8
97.02908	2.6
99.04501	1.9
100.68717	1.7
102.57912	1.6
105.07022	8.1
107.08555	2.5
107.28970	1.6
109.02911	2.5
109.06535	4.1
115.05476	3.2
117.06911	1.7
119.04970	1.8
119.08562	4.2
121.10161	2.9
122.03647	6.6
124.66075	2.0
127.03954	4.4
128.06168	2.5
131.04877	2.5
133.06444	3.1
133.10158	3.4
137.02438	1.8
137.05975	100.0
147.04391	3.2
147.08018	2.7
149.05972	1.8
155.03349	1.7
159.08118	3.9
161.05981	12.9
163.03966	1.8
163.07468	1.9
166.67567	1.5
167.05437	1.6
175.07529	29.4
187.07532	10.3
190.07903	2.1
191.08545	6.8
199.07579	9.8
202.07817	4.5
203.08583	6.8
219.08107	6.7
220.08855	2.1
231.08063	5.0
236.08351	2.5
241.44937	1.7
247.07567	3.2
248.08374	3.1
251.10637	7.4
255.06523	59.7
256.06921	2.6
259.07474	3.6
263.10657	2.0
264.07703	1.8
269.22845	1.6
277.08728	2.4
279.10120	9.5
291.10117	8.1
292.10840	2.3
296.10364	2.1
311.12790	21.2
323.09299	2.4
323.12695	12.8
503.21002	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
53.52761	0.5
55.01862	3.1
56.96560	0.6
57.03431	3.1
61.02933	2.8
63.07125	0.5
69.03426	18.9
69.22913	2.6
69.23343	4.0
70.06572	0.5
71.01316	0.7
71.04987	5.3
72.08122	1.0
73.02896	2.1
81.02934	1.2
81.03412	23.8
85.02900	16.1
86.09702	0.7
87.04452	1.4
91.03953	1.3
91.05764	0.9
97.02896	6.9
98.20697	1.3
99.04451	6.9
109.02852	1.9
117.05499	1.9
127.03876	3.0
133.07599	4.7
134.06007	1.4
134.07019	0.5
137.06042	0.8
145.04927	1.9
149.09584	1.4
150.39230	0.7
161.07082	7.6
163.03807	0.9
163.08643	6.1
165.10367	0.6
167.05627	0.9
171.06715	0.7
178.07347	1.3
179.08133	1.0
181.79543	0.6
189.06560	6.5
191.08162	4.6
207.07642	100.0
208.07985	2.4
211.62814	0.6
237.05551	0.5
243.65643	0.6
247.10631	0.7
249.08682	1.6
269.74008	0.5
287.10272	0.9
299.06064	1.2
305.11386	2.1
309.94788	0.6
323.12354	39.8
324.12628	1.1
341.13416	76.7
342.13562	1.7
503.20636	1.0
526.48376	0.6
528.86145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1393
Annotation	Daphneside
Peak:m/z	Relative Intensity
61.02919	2.9
62.19013	2.3
69.03402	6.1
70.06596	3.3
70.85704	7.0
81.03398	2.3
85.02889	10.9
91.05769	9.2
97.02872	6.1
98.97561	3.1
105.06998	2.2
107.04982	3.0
109.02847	3.4
127.03852	4.8
129.06989	2.6
137.02313	3.3
137.05971	11.9
147.04395	7.6
153.05402	3.8
161.05975	6.5
163.03900	6.4
167.05527	7.7
175.03886	10.9
175.07574	4.1
179.03362	23.7
187.07547	2.7
189.05495	3.4
191.03372	60.6
192.04094	6.6
203.03374	15.5
204.67860	2.4
205.04959	5.3
217.05003	8.2
217.07289	2.6
221.04456	75.3
231.06516	19.8
245.04411	28.7
257.04477	4.4
259.06027	8.0
275.05469	15.3
281.10678	3.2
287.05475	16.6
299.06024	9.1
299.31870	2.9
305.06461	18.4
323.07547	17.4
341.08698	100.0
503.16272	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1182
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
53.03937	0.1
54.28315	0.1
55.05519	0.1
67.01864	0.8
67.05513	0.1
68.99767	0.5
69.03417	0.2
69.94374	0.3
76.27840	0.1
76.82478	0.1
79.05504	0.1
81.03384	0.3
81.07036	0.2
81.11240	0.1
83.08642	0.1
85.02893	0.2
90.57841	0.1
91.05474	0.1
93.07024	0.1
95.04975	0.1
95.08613	0.2
97.02859	0.1
103.05460	0.8
103.10201	0.1
105.03374	0.5
105.07043	0.1
107.04983	0.1
107.08543	0.2
109.02865	0.2
113.25066	0.1
114.22499	0.1
119.04881	0.1
119.08546	0.1
121.10171	0.1
127.03883	0.3
129.01820	0.2
129.03319	0.5
129.07018	0.1
135.08006	0.1
137.05962	0.2
141.06972	0.1
142.36469	0.1
145.10107	0.1
147.04388	0.6
147.11646	0.1
149.02390	0.1
152.06223	0.1
153.01820	3.2
153.06932	0.1
163.07495	0.1
165.09102	0.1
167.03426	0.2
167.05627	0.1
171.02936	0.6
171.04297	0.1
187.07524	0.2
203.06711	0.1
203.10703	0.2
204.07202	0.1
204.11017	0.1
205.08719	0.2
205.11290	0.1
209.05980	0.4
213.05458	0.3
231.06558	0.2
237.05508	0.1
237.18129	0.1
251.42764	0.1
254.05893	0.1
255.06494	100.0
256.06839	1.7
267.06339	0.1
341.13791	0.1
417.11734	0.5
503.11575	0.9
503.18350	0.4
503.94565	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99781	0.6
69.03423	0.6
69.68292	0.4
70.08990	2.1
79.05476	1.1
85.02890	1.6
88.98163	0.4
91.05773	2.2
95.04955	0.9
97.02882	0.7
98.86008	0.4
107.04945	2.0
123.04419	5.7
127.03899	0.5
135.04405	5.6
151.03909	1.0
163.03896	1.1
167.05522	1.7
179.03389	100.0
180.03714	1.0
205.04694	1.4
221.04594	0.6
237.02968	0.6
260.84579	0.4
266.99890	0.6
283.02893	0.6
299.06116	1.3
341.08701	3.6
354.16742	0.5
503.17508	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05503	4.1
56.41891	0.7
57.03434	1.8
61.02912	2.7
67.05492	2.2
69.03426	7.2
69.07051	3.3
70.06586	3.8
71.04981	1.3
71.57581	0.8
72.08152	1.8
72.82175	0.7
73.02911	2.1
79.05499	1.1
80.59156	0.7
81.03430	4.0
81.07035	3.2
82.06575	5.8
83.04977	3.7
84.04498	1.8
84.08148	2.1
85.02902	14.1
85.06540	1.0
86.06064	8.1
86.09709	4.4
87.04459	3.2
91.05458	2.0
93.07034	2.5
95.04956	1.7
95.08617	1.6
96.08113	3.7
97.02897	6.1
98.09702	1.2
99.04441	3.2
101.06010	1.2
105.07021	0.9
107.04930	0.8
107.08606	1.3
108.08132	1.4
109.02866	2.7
109.06534	0.9
109.10163	1.1
110.06054	4.5
111.04439	2.8
111.24815	0.8
116.10721	4.1
119.08505	1.2
122.09681	1.5
124.07562	1.7
126.09174	3.9
127.03915	3.9
128.07100	5.3
129.05467	1.6
129.10231	1.2
134.09633	1.0
136.07602	1.0
136.11305	0.7
142.08633	6.7
145.04985	2.2
151.11195	1.8
152.10724	0.9
154.08621	52.7
154.12199	1.2
158.75116	0.7
163.04070	0.7
169.12181	1.7
172.09680	100.0
178.04900	1.1
190.10814	0.9
203.07037	1.5
212.16457	34.6
226.14275	0.9
244.15446	0.9
248.23654	1.0
250.21747	1.4
255.06766	1.3
279.15912	1.0
281.22223	0.9
298.12714	0.8
299.06097	1.2
312.87970	0.9
322.20126	3.3
328.24869	0.9
333.32407	0.8
334.15112	1.0
340.21216	10.7
350.14389	1.4
374.21732	42.7
375.22241	0.9
388.19586	1.3
484.29007	2.2
490.45920	0.7
502.25464	6.9
503.20468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.05505	0.6
65.03940	0.9
67.05513	0.7
68.99438	0.5
69.03411	0.7
69.07067	0.6
69.29447	5.9
79.05489	15.9
81.03413	0.5
81.07053	100.0
85.02916	1.5
87.00819	0.7
91.05499	0.8
93.07021	0.6
95.04972	1.1
95.08603	0.8
97.02894	0.6
97.06545	0.5
99.91125	0.5
105.01825	0.6
105.07015	0.5
107.04939	0.6
107.08615	0.9
109.02908	0.6
109.28078	0.5
110.52521	0.5
119.08630	0.5
121.02869	2.1
121.10133	0.8
127.03915	1.0
137.06033	0.5
139.03896	6.5
145.10133	0.7
161.05966	0.6
163.07631	0.6
179.85091	0.5
203.06967	0.8
203.10686	1.3
204.11043	0.7
211.14708	0.5
219.10156	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05503	4.1
56.41891	0.7
57.03434	1.8
61.02912	2.7
67.05492	2.2
69.03426	7.2
69.07051	3.3
70.06586	3.8
71.04981	1.3
71.57581	0.8
72.08152	1.8
72.82175	0.7
73.02911	2.1
79.05499	1.1
80.59156	0.7
81.03430	4.0
81.07035	3.2
82.06575	5.8
83.04977	3.7
84.04498	1.8
84.08148	2.1
85.02902	14.1
85.06540	1.0
86.06064	8.1
86.09709	4.4
87.04459	3.2
91.05458	2.0
93.07034	2.5
95.04956	1.7
95.08617	1.6
96.08113	3.7
97.02897	6.1
98.09702	1.2
99.04441	3.2
101.06010	1.2
105.07021	0.9
107.04930	0.8
107.08606	1.3
108.08132	1.4
109.02866	2.7
109.06534	0.9
109.10163	1.1
110.06054	4.5
111.04439	2.8
111.24815	0.8
116.10721	4.1
119.08505	1.2
122.09681	1.5
124.07562	1.7
126.09174	3.9
127.03915	3.9
128.07100	5.3
129.05467	1.6
129.10231	1.2
134.09633	1.0
136.07602	1.0
136.11305	0.7
142.08633	6.7
145.04985	2.2
151.11195	1.8
152.10724	0.9
154.08621	52.7
154.12199	1.2
158.75116	0.7
163.04070	0.7
169.12181	1.7
172.09680	100.0
178.04900	1.1
190.10814	0.9
203.07037	1.5
212.16457	34.6
226.14275	0.9
244.15446	0.9
248.23654	1.0
250.21747	1.4
255.06766	1.3
279.15912	1.0
281.22223	0.9
298.12714	0.8
299.06097	1.2
312.87970	0.9
322.20126	3.3
328.24869	0.9
333.32407	0.8
334.15112	1.0
340.21216	10.7
350.14389	1.4
374.21732	42.7
375.22241	0.9
388.19586	1.3
484.29007	2.2
490.45920	0.7
502.25464	6.9
503.20468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41186	3.2
55.05502	6.1
57.03431	46.9
61.02923	12.0
69.07050	4.0
69.32055	35.6
78.18390	3.2
79.05493	3.6
81.07069	6.7
87.06300	2.8
90.58804	3.7
93.07018	7.0
95.08645	4.4
97.10155	2.8
98.98461	28.8
105.07024	4.0
107.08577	3.3
117.05495	100.0
119.08618	5.7
122.31636	3.6
123.17775	3.0
131.08566	3.5
145.10106	5.3
155.01059	15.3
161.06052	5.4
163.01727	3.0
173.02019	3.3
195.00311	33.6
196.00652	4.6
197.02208	3.5
253.04855	4.5
311.25775	6.2
329.26877	29.0
501.32202	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01865	0.9
55.05502	0.6
56.12551	0.5
56.96533	0.6
57.03423	1.1
61.02921	0.8
63.29999	0.5
67.05482	0.9
69.03434	3.4
69.07056	0.9
69.87016	2.1
69.87456	1.7
79.05463	1.7
81.03416	1.4
81.07045	2.4
83.04903	0.6
85.02897	7.8
91.05453	2.0
93.07013	1.4
95.04964	0.7
95.08598	1.4
97.02878	1.7
97.10145	0.7
99.04423	1.0
103.05432	0.7
105.07000	1.7
107.04961	1.2
107.08582	1.3
109.02824	1.0
109.10165	0.7
111.28482	0.6
115.05397	0.8
117.06987	0.6
119.04917	1.1
119.08543	1.6
120.08136	0.6
123.04445	3.0
127.03889	1.4
128.06195	11.0
137.06001	0.7
141.06960	1.1
142.07762	0.9
143.08548	21.6
145.04929	0.7
145.06473	1.1
145.10068	1.3
147.08064	0.7
149.05956	2.8
159.08060	1.5
161.05927	1.1
169.10181	0.7
171.08034	51.1
172.08627	1.0
173.05968	2.3
173.09605	2.6
175.07460	1.4
179.08574	0.7
185.09605	7.6
187.07443	0.6
188.08276	1.1
193.04478	0.6
197.09616	3.7
203.06926	3.0
203.10651	100.0
204.10985	1.5
211.11195	0.8
214.09879	1.2
229.12227	16.0
236.71060	0.6
281.07990	4.9
283.09564	3.0
337.13931	1.2
339.11938	1.1
339.15906	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
55.68608	1.1
57.03441	1.1
64.18929	1.1
67.05496	2.4
69.03443	6.0
69.07060	2.0
70.17307	4.9
71.05000	1.3
79.05492	2.5
81.03410	3.4
81.07047	3.2
85.02905	9.3
85.06538	1.1
89.06105	1.0
91.05464	2.6
93.07072	1.7
95.04982	1.8
95.08599	1.7
97.02885	3.0
99.04473	1.3
105.07027	2.9
107.04985	1.4
107.08563	1.6
109.02875	1.8
109.10159	1.8
117.07030	1.5
119.04917	2.7
119.08637	1.3
121.06534	1.2
121.10178	1.3
123.04408	5.9
127.03920	1.8
128.06232	9.0
129.06955	1.9
143.08559	15.2
145.04964	1.9
145.06509	2.1
145.10132	1.9
149.05998	4.5
153.07082	1.2
159.07930	1.2
161.06009	1.9
171.08054	37.5
172.08614	1.1
173.05952	2.5
173.09514	1.2
175.07629	1.4
175.11246	1.2
179.08649	1.5
181.06548	1.0
185.09540	5.1
189.09123	4.2
191.10611	2.5
197.09587	1.3
203.06969	4.6
203.10666	100.0
204.11035	1.7
229.12262	5.6
242.89613	1.0
244.56386	1.0
281.08157	3.1
285.11258	1.1
314.46371	1.1
321.11163	1.4
325.14410	1.5
339.12274	1.6
339.15909	10.6
340.16818	1.1
379.10321	1.1
449.01385	1.3
460.50122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.174
Annotation	Gliocladinin B
Peak:m/z	Relative Intensity
55.01867	0.9
55.05515	1.2
57.03435	0.7
58.48101	0.4
67.05500	0.8
67.10652	0.5
68.99782	0.6
69.03418	1.9
69.33970	1.2
69.34367	4.5
79.05475	1.0
81.03393	1.4
81.07059	2.7
83.05025	0.6
85.02888	1.8
87.00854	0.5
88.09044	0.5
91.05456	1.5
93.07057	1.0
95.01293	0.6
95.04986	0.6
95.08596	1.4
97.02892	0.8
102.76981	0.5
104.81892	0.5
105.07027	1.8
107.04916	0.5
107.08599	0.8
109.02876	1.4
109.06502	1.9
109.10158	1.3
115.05509	0.5
119.08565	2.1
121.03004	0.6
121.10178	0.5
123.04289	0.6
123.08043	0.6
123.11620	0.6
127.03893	2.0
131.08604	0.8
135.11723	0.6
137.05954	0.5
137.09627	0.7
144.05708	0.6
145.10126	0.6
147.08049	2.4
147.11758	0.5
149.02338	1.4
151.03868	0.7
161.02333	4.7
161.06012	2.3
163.03883	1.4
163.07524	0.6
165.09212	0.6
167.03386	1.6
175.03946	0.8
175.07538	1.5
175.14769	0.5
177.01813	0.7
177.05377	0.5
185.05975	1.8
189.05254	2.7
203.06923	100.0
204.07338	1.7
219.06522	9.7
235.16896	2.8
321.09558	3.9
339.08420	0.5
339.12195	13.4
351.10391	0.7
415.19376	0.7
457.20419	2.2
501.17322	53.3
501.33649	1.9
502.17923	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16151	0.1
53.03937	0.2
55.01862	0.5
55.05502	0.4
57.03417	0.4
61.02921	0.3
64.14156	0.1
65.18248	0.2
67.05488	0.4
68.99757	0.2
69.03426	1.4
69.07068	0.4
69.33733	0.6
69.34167	1.0
71.04994	0.3
72.44313	0.2
73.02905	0.2
77.03947	0.2
79.05479	0.5
81.03432	0.9
81.07056	1.3
83.04969	0.2
85.02905	2.3
85.06518	0.3
87.04440	0.2
91.05482	1.7
93.07030	0.6
95.01311	0.5
95.04955	0.3
95.08590	0.6
97.02891	1.1
97.06533	0.2
97.10187	0.2
98.20657	0.2
99.04443	0.4
103.05447	0.2
103.45781	0.2
105.03378	0.6
105.06984	0.5
107.04946	0.4
107.08591	0.5
109.02874	0.5
109.06528	1.1
109.10161	0.4
111.08109	0.2
115.05450	0.3
117.07025	0.4
119.04968	0.3
119.08588	1.5
121.02884	0.2
121.06486	0.2
123.00800	0.4
123.04385	0.2
123.08105	0.2
127.03927	0.7
128.06241	0.3
129.07001	1.4
131.04987	0.2
131.08545	0.5
132.05748	0.3
133.02811	0.8
133.06494	0.5
133.10143	0.4
135.11676	0.4
141.06967	0.2
142.07690	0.2
144.05705	0.6
145.04904	0.3
145.10046	0.2
147.04448	0.3
147.08041	2.9
149.02332	1.6
151.03873	1.4
157.06490	0.8
159.08032	0.2
160.05180	0.6
161.02339	9.1
161.05969	3.1
163.03896	1.8
164.76460	0.2
167.03391	2.3
175.03952	1.2
175.07530	1.9
185.05980	3.4
188.04689	0.6
203.07022	100.0
204.07390	1.7
209.43019	0.2
217.15947	0.2
221.08061	0.2
235.16853	0.6
267.06522	0.2
297.11072	0.3
312.35779	0.2
321.11142	1.0
339.12250	9.1
340.12628	0.4
369.71906	0.2
458.00900	0.2
501.24069	0.2
501.34058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16151	0.1
53.03937	0.2
55.01862	0.5
55.05502	0.4
57.03417	0.4
61.02921	0.3
64.14156	0.1
65.18248	0.2
67.05488	0.4
68.99757	0.2
69.03426	1.4
69.07068	0.4
69.33733	0.6
69.34167	1.0
71.04994	0.3
72.44313	0.2
73.02905	0.2
77.03947	0.2
79.05479	0.5
81.03432	0.9
81.07056	1.3
83.04969	0.2
85.02905	2.3
85.06518	0.3
87.04440	0.2
91.05482	1.7
93.07030	0.6
95.01311	0.5
95.04955	0.3
95.08590	0.6
97.02891	1.1
97.06533	0.2
97.10187	0.2
98.20657	0.2
99.04443	0.4
103.05447	0.2
103.45781	0.2
105.03378	0.6
105.06984	0.5
107.04946	0.4
107.08591	0.5
109.02874	0.5
109.06528	1.1
109.10161	0.4
111.08109	0.2
115.05450	0.3
117.07025	0.4
119.04968	0.3
119.08588	1.5
121.02884	0.2
121.06486	0.2
123.00800	0.4
123.04385	0.2
123.08105	0.2
127.03927	0.7
128.06241	0.3
129.07001	1.4
131.04987	0.2
131.08545	0.5
132.05748	0.3
133.02811	0.8
133.06494	0.5
133.10143	0.4
135.11676	0.4
141.06967	0.2
142.07690	0.2
144.05705	0.6
145.04904	0.3
145.10046	0.2
147.04448	0.3
147.08041	2.9
149.02332	1.6
151.03873	1.4
157.06490	0.8
159.08032	0.2
160.05180	0.6
161.02339	9.1
161.05969	3.1
163.03896	1.8
164.76460	0.2
167.03391	2.3
175.03952	1.2
175.07530	1.9
185.05980	3.4
188.04689	0.6
203.07022	100.0
204.07390	1.7
209.43019	0.2
217.15947	0.2
221.08061	0.2
235.16853	0.6
267.06522	0.2
297.11072	0.3
312.35779	0.2
321.11142	1.0
339.12250	9.1
340.12628	0.4
369.71906	0.2
458.00900	0.2
501.24069	0.2
501.34058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.5
53.84635	7.4
55.01865	18.6
55.05500	14.4
58.06572	10.4
67.05492	25.8
69.03417	33.1
69.07085	17.0
70.06583	32.9
71.58325	7.5
71.58728	10.5
72.08147	12.4
79.05481	18.5
81.03403	29.5
81.07045	36.6
83.04951	18.8
83.08647	7.5
84.04514	16.3
84.08151	12.6
85.02909	48.6
85.06513	9.4
86.09696	12.2
87.00806	10.8
91.05459	18.9
92.50458	7.6
93.07030	34.1
95.04959	18.1
95.08591	24.8
96.08112	15.7
97.02864	12.6
97.06523	13.1
104.10729	9.1
105.01861	10.0
105.07016	36.3
107.08579	58.7
108.08144	13.2
109.02884	16.3
109.06498	11.4
109.10153	26.7
111.08083	9.1
116.88420	9.0
117.07004	8.9
119.08561	29.6
121.06537	13.9
121.10121	32.6
123.08036	17.1
124.07586	33.5
127.03923	26.4
133.10126	68.5
135.08028	28.0
135.11681	22.9
136.11206	12.2
137.09662	42.0
145.10025	8.8
147.07925	7.4
147.11635	14.2
149.09607	50.4
151.11191	17.9
159.11684	9.3
163.03882	9.4
165.09125	8.4
173.13231	9.8
175.14850	15.1
189.09122	9.7
191.14340	39.7
193.15840	10.5
195.14082	10.9
203.07103	10.2
209.15303	17.6
216.17441	13.6
217.15808	21.5
234.18523	100.0
243.03566	7.6
252.19514	54.7
271.52631	7.7
339.12213	9.1
500.18134	14.5
500.24704	45.9
500.31363	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.5
53.84635	7.4
55.01865	18.6
55.05500	14.4
58.06572	10.4
67.05492	25.8
69.03417	33.1
69.07085	17.0
70.06583	32.9
71.58325	7.5
71.58728	10.5
72.08147	12.4
79.05481	18.5
81.03403	29.5
81.07045	36.6
83.04951	18.8
83.08647	7.5
84.04514	16.3
84.08151	12.6
85.02909	48.6
85.06513	9.4
86.09696	12.2
87.00806	10.8
91.05459	18.9
92.50458	7.6
93.07030	34.1
95.04959	18.1
95.08591	24.8
96.08112	15.7
97.02864	12.6
97.06523	13.1
104.10729	9.1
105.01861	10.0
105.07016	36.3
107.08579	58.7
108.08144	13.2
109.02884	16.3
109.06498	11.4
109.10153	26.7
111.08083	9.1
116.88420	9.0
117.07004	8.9
119.08561	29.6
121.06537	13.9
121.10121	32.6
123.08036	17.1
124.07586	33.5
127.03923	26.4
133.10126	68.5
135.08028	28.0
135.11681	22.9
136.11206	12.2
137.09662	42.0
145.10025	8.8
147.07925	7.4
147.11635	14.2
149.09607	50.4
151.11191	17.9
159.11684	9.3
163.03882	9.4
165.09125	8.4
173.13231	9.8
175.14850	15.1
189.09122	9.7
191.14340	39.7
193.15840	10.5
195.14082	10.9
203.07103	10.2
209.15303	17.6
216.17441	13.6
217.15808	21.5
234.18523	100.0
243.03566	7.6
252.19514	54.7
271.52631	7.7
339.12213	9.1
500.18134	14.5
500.24704	45.9
500.31363	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	20.0
67.05497	25.1
69.07064	23.7
69.40885	22.7
69.41309	32.8
79.05489	15.6
81.07048	51.6
83.08629	16.0
89.72233	5.7
91.05490	9.2
93.07049	27.3
95.08596	60.9
105.07035	26.0
107.08613	39.5
109.10152	77.4
111.08036	7.1
117.08484	6.2
119.08582	31.7
121.06506	8.9
121.10152	34.0
122.81645	7.3
123.11724	55.2
131.08612	11.4
133.10159	29.9
135.08035	13.4
135.11678	20.4
143.08568	7.3
145.10109	14.1
147.11694	18.8
149.09492	7.1
149.13254	8.7
157.10115	10.9
159.11751	8.5
161.09544	10.3
161.13286	17.9
163.14885	10.7
173.13266	11.4
185.13339	8.0
189.16370	14.2
199.14944	9.1
203.14351	11.5
203.18088	8.8
215.14394	7.9
217.15894	28.4
217.19464	9.7
309.28659	6.2
369.27972	13.5
420.52707	6.3
421.34674	17.8
439.35721	100.0
454.63388	6.0
499.37296	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.05502	24.6
57.03432	24.3
61.02919	49.6
67.05502	89.6
69.03434	33.3
69.07072	44.6
69.93996	33.9
71.01353	5.8
73.02917	25.3
79.05484	29.9
81.03412	23.0
81.07050	100.0
83.04989	11.0
83.08614	24.5
85.02901	64.6
91.03944	35.5
91.05479	26.2
93.07043	37.3
95.04974	13.9
95.08608	72.4
97.02886	41.2
97.06538	9.4
97.10171	9.6
99.04459	14.1
103.48471	5.8
105.07027	23.0
107.08605	22.4
109.02888	11.2
109.10130	32.7
113.74925	6.5
117.05527	7.0
119.08582	23.1
121.10162	17.9
123.11680	13.7
125.88962	5.8
127.03901	22.5
131.08571	13.8
133.10149	14.2
135.11673	14.6
137.13243	6.6
145.04965	6.9
147.11673	11.9
149.13264	6.4
159.11726	9.4
161.13322	6.8
163.59889	5.6
175.14822	9.1
189.16393	6.2
195.00299	30.6
235.17363	5.6
245.22662	16.6
249.66133	6.0
263.23831	14.2
311.77859	5.6
319.26028	6.1
337.27390	81.5
499.32968	14.0
504.81747	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01860	8.7
55.05267	2.8
55.05508	33.8
57.03434	31.9
57.07067	7.3
61.02925	83.8
65.03933	5.3
65.84924	1.8
67.05502	100.0
68.07688	1.6
69.03428	49.8
69.07064	37.9
71.01353	6.4
71.04985	7.6
71.08630	3.3
71.59081	2.5
73.02913	37.2
75.04465	3.1
79.05483	37.3
81.03413	26.3
81.07051	97.7
83.04971	8.1
83.08614	29.8
85.02897	74.5
85.06551	4.4
87.04466	4.5
91.03951	50.4
91.04523	2.5
91.05474	28.4
93.06474	3.0
93.07038	41.3
95.04959	11.2
95.08601	80.7
97.02888	73.9
97.06535	8.3
97.10164	10.5
99.04449	12.5
99.08045	2.0
101.02361	12.9
103.03936	7.7
105.07014	22.8
105.48028	1.9
107.04934	2.1
107.08578	19.8
109.02862	12.6
109.06506	3.1
109.10144	34.9
111.04426	3.3
111.08082	3.3
113.09636	1.9
115.03931	5.7
117.05482	3.9
117.07005	5.2
119.08574	16.2
121.06519	2.7
121.10149	18.8
123.08054	1.9
123.11715	15.8
125.09592	3.3
127.03909	21.1
129.05470	4.4
129.07019	2.9
131.08565	8.3
133.10112	14.0
135.08104	2.7
135.11714	12.2
137.13245	9.5
145.04953	10.4
145.10132	5.7
147.11674	11.9
149.13263	9.3
151.11174	3.0
151.14824	4.2
153.12759	2.0
155.08537	2.6
157.10158	3.0
159.06540	2.0
159.11703	5.0
161.13232	9.5
163.14842	8.7
165.12743	3.7
165.16379	3.2
171.06587	2.0
171.11775	2.1
172.85779	1.9
173.09546	1.9
173.13329	3.6
175.14850	6.0
177.12733	1.7
177.16425	2.7
183.06528	5.1
189.16405	4.5
193.15887	2.3
195.13739	1.7
199.14789	2.0
201.07622	5.1
201.16310	2.2
245.22705	9.1
263.23715	22.4
317.24646	3.3
329.24689	3.2
337.27325	91.0
338.27509	3.4
353.24557	3.2
365.26791	4.2
371.25708	6.0
407.18411	2.1
445.29837	3.9
463.30600	3.1
481.31717	5.8
499.32553	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.2
55.05514	28.9
57.03430	24.8
57.07066	8.4
61.02925	74.0
67.05506	95.8
69.03435	39.9
69.07066	41.7
71.58514	10.3
73.02911	32.8
75.04478	5.9
79.05486	37.3
81.03427	17.9
81.07051	100.0
83.04963	9.3
83.08622	29.8
85.02914	59.1
86.09692	16.1
88.03978	7.5
91.03958	44.5
91.05482	22.5
93.07039	28.4
95.04971	9.1
95.08596	76.2
97.02885	60.0
97.06525	9.0
97.10145	11.1
99.04486	10.6
101.02382	22.4
101.42416	6.0
103.03976	5.8
104.10746	23.9
105.07038	21.3
105.11063	8.2
107.08584	21.9
109.02895	11.1
109.10163	28.6
119.08591	13.1
120.59008	5.1
121.10155	26.3
123.11714	17.3
127.03896	29.8
128.21860	6.1
129.05505	7.9
133.10129	15.7
135.11711	15.3
137.13191	10.0
139.11279	6.8
139.64954	5.6
145.04965	11.7
147.11688	13.2
153.12717	7.1
161.13245	13.9
175.14903	10.4
184.07378	20.9
185.07669	11.7
186.07831	11.0
245.22726	11.3
263.23730	20.4
314.27509	7.6
337.27325	84.2
359.19553	6.1
460.18970	6.9
499.33517	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01874	2.8
55.05503	9.8
57.03435	3.7
57.07069	1.6
58.99589	4.0
59.05010	2.1
62.78073	1.4
67.05497	13.5
69.03436	7.0
69.07061	7.8
69.09833	1.5
70.06586	2.0
70.82596	1.5
70.82909	3.2
71.04989	1.9
79.05486	7.3
80.05003	2.8
81.03406	5.3
81.07059	9.7
83.04971	1.9
83.08622	5.6
84.73729	1.3
85.02895	9.4
85.06547	3.2
86.00640	1.8
86.99033	2.8
87.00841	2.2
91.05472	12.2
93.07037	9.9
95.04971	5.6
95.08610	8.7
96.04485	4.2
97.06513	3.7
97.10145	7.4
100.02208	1.9
105.01887	3.1
105.05791	2.1
105.07026	5.6
106.06535	1.7
107.05007	2.0
107.08600	6.2
109.02882	4.5
109.06513	4.5
109.10149	9.9
111.02637	2.0
111.08058	4.2
112.02180	32.6
113.05975	2.4
116.01683	7.7
116.06264	2.3
117.05745	2.1
117.07046	2.1
119.08589	3.3
120.08153	1.9
121.06470	2.0
121.10160	2.6
123.01434	1.7
123.02630	2.2
123.11725	2.2
124.02120	3.5
125.09643	3.3
127.03922	7.5
129.12753	4.8
130.06529	3.1
130.13120	2.5
131.08586	4.7
133.00766	1.5
133.10144	1.8
135.02585	1.8
135.04442	1.6
135.08026	2.7
136.02158	5.3
137.05980	2.4
137.09576	2.5
138.00107	8.9
138.03712	63.0
140.01662	4.6
140.05266	2.4
141.07051	1.5
142.03221	2.6
143.08508	1.7
144.05676	2.3
144.08109	2.3
145.08827	4.4
145.10048	2.9
147.11644	2.2
149.02985	3.4
149.05940	1.7
150.03745	8.8
151.05750	3.5
152.01624	1.8
152.05275	4.1
159.04439	2.4
159.08063	4.5
159.11725	1.8
162.02258	3.4
163.04076	1.9
163.07562	5.5
164.01688	5.1
164.05327	2.1
165.12744	1.6
166.03218	3.3
168.04712	2.3
173.11765	3.3
176.05257	2.3
178.03238	1.7
178.05264	2.4
178.06839	50.0
180.04822	2.1
187.07530	100.0
190.06769	1.8
195.05943	4.6
198.09117	1.6
203.07005	2.2
206.06300	7.3
208.07964	1.6
233.15352	3.1
235.09047	4.5
240.05569	3.3
240.12100	1.9
241.06416	20.7
253.06497	1.9
266.12109	2.8
267.04282	3.0
268.11545	1.9
269.05865	2.3
270.06622	1.8
281.09521	59.4
283.10770	1.6
292.13629	4.7
293.09277	1.5
299.10605	16.5
303.15582	1.6
309.09048	14.1
311.10492	2.7
313.11636	2.1
314.12222	4.6
327.10065	2.1
337.14307	7.6
342.11398	2.0
358.18713	1.8
360.16382	4.3
374.14255	8.5
377.15460	1.9
395.16257	8.8
405.14117	2.6
423.15820	6.4
435.19345	3.5
441.16870	29.9
455.22168	1.9
463.18964	2.4
481.19818	9.2
499.21405	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05501	1.4
57.03407	0.9
57.30321	0.5
60.53577	0.5
67.05505	2.4
69.03416	3.4
69.07056	1.8
70.92893	1.5
71.04973	1.0
74.95589	0.5
79.05483	2.2
81.03416	3.3
81.07047	4.3
83.04977	0.8
84.53388	0.5
85.02903	4.1
85.06558	0.6
87.00813	1.5
91.05476	1.8
93.07034	2.1
95.04955	1.9
95.08598	3.6
97.02883	2.2
97.06480	1.1
97.10161	0.8
99.04436	1.0
99.69852	0.4
105.01859	0.9
105.03349	0.6
105.07018	2.4
107.04926	1.6
107.08574	1.0
109.02866	2.5
109.10149	1.5
111.08099	0.7
117.06994	0.8
119.08527	1.3
121.06510	1.1
121.10141	1.4
123.04412	5.5
123.11714	0.6
127.03940	3.0
131.08595	0.6
133.10123	0.9
135.04390	0.5
135.08098	0.9
135.11653	0.6
137.05952	1.0
137.09583	0.8
139.03873	1.5
139.11169	0.6
145.10115	0.8
147.11711	0.9
149.02316	2.9
149.05972	0.9
149.09628	0.5
151.03893	100.0
152.04236	0.7
157.10104	0.7
159.08060	0.7
161.13263	0.6
161.40944	0.5
163.03899	2.0
163.07503	1.7
165.05499	2.3
167.03392	6.0
177.05518	1.5
187.07524	6.4
191.06999	2.3
193.04985	0.7
201.09216	0.6
203.07130	0.6
213.42410	0.5
215.17909	0.5
217.04950	1.3
233.11723	9.1
233.15373	0.9
235.06006	0.6
248.92531	0.5
251.12776	52.1
259.06003	0.8
275.12479	0.5
314.12183	0.7
337.10468	0.6
337.14313	0.8
374.14050	1.1
388.54822	0.6
413.21170	1.2
455.22433	1.6
499.21613	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01583	0.2
55.05486	0.6
62.01013	0.2
63.02362	0.4
65.03935	0.2
67.05496	1.0
68.99740	0.2
69.03408	0.9
69.07072	0.4
69.70517	1.3
70.06593	0.5
70.75888	0.2
72.08128	0.3
79.05495	1.7
81.03394	0.7
81.07034	0.5
83.04966	0.8
83.08555	0.2
85.02897	0.8
85.06534	0.2
86.09714	0.5
89.03912	8.3
89.67380	0.2
91.05477	0.4
93.07022	0.5
95.04959	3.1
95.08580	0.6
95.11616	0.2
97.02858	0.3
97.10155	0.2
98.21385	0.4
105.07018	0.5
107.04948	2.6
107.08575	0.2
109.02841	0.5
109.06506	0.3
109.10136	0.4
111.04433	0.7
111.08070	0.3
117.03372	9.8
117.06985	0.2
119.08588	0.3
120.08065	0.5
121.10125	0.5
127.03879	0.5
131.08501	0.3
133.10130	0.5
135.04402	20.1
135.11650	0.2
136.04689	0.2
143.08452	0.2
145.02835	13.4
146.03165	0.3
163.03889	100.0
164.04225	1.6
180.29475	0.3
181.04924	0.5
186.05458	0.4
191.10846	0.2
226.27039	0.2
251.16422	0.2
279.06555	0.2
319.08093	12.8
423.72586	0.2
499.12268	1.7
499.21030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.8
55.05478	1.5
57.03432	7.2
57.07046	1.0
58.06598	26.8
58.20627	0.5
59.07378	8.9
60.04503	0.6
60.08163	9.0
61.77265	0.5
67.05502	4.4
69.07078	2.4
69.34650	2.8
69.35076	2.6
73.02885	0.7
75.04473	4.9
79.05460	2.1
80.81010	0.5
81.07056	4.3
83.08596	0.8
85.02869	2.0
86.09686	0.7
87.04474	4.9
88.03950	0.7
91.05462	0.7
93.06988	1.6
95.08615	3.8
98.20782	1.1
98.98403	0.5
101.06007	0.6
103.03924	1.2
105.05487	0.9
105.07009	0.7
106.04960	0.7
107.08591	0.7
109.10149	1.2
113.05946	0.6
119.08553	0.9
130.82829	0.5
131.06998	1.9
144.10191	6.9
162.11261	3.9
184.07339	0.7
200.12894	0.7
218.13907	0.5
236.14917	100.0
237.15236	0.9
242.80348	0.5
313.27307	1.3
316.55234	0.5
353.03391	0.5
480.36880	23.0
481.36700	0.7
498.37888	67.9
499.38068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69986	0.7
55.05504	0.9
55.88427	0.7
69.03435	0.8
69.07044	1.0
69.43761	2.9
69.44193	3.6
81.03396	1.2
81.07061	2.5
85.02875	0.9
91.05479	4.6
95.04983	1.1
95.08578	1.9
95.84478	0.8
105.06995	1.0
107.08580	1.3
108.92066	0.7
109.10168	1.0
110.91610	0.7
118.15696	1.0
119.08558	1.1
138.72830	0.8
161.05690	0.8
167.03188	1.2
174.80742	0.7
185.04253	1.2
227.05226	4.7
250.05978	1.1
251.06743	11.1
254.81589	0.8
264.70233	0.7
271.04202	10.2
279.06290	1.0
413.11981	7.8
414.12582	0.9
437.12158	1.0
455.13113	61.0
456.13470	1.6
499.12067	100.0
500.12338	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53548	2.8
55.01859	8.7
55.05499	11.1
57.03449	4.3
61.02897	3.6
67.05504	35.0
68.27392	3.0
69.03429	4.2
69.06777	3.0
69.07064	29.8
71.05000	3.0
71.58044	4.9
79.05481	20.6
81.03391	12.5
81.07046	29.0
83.04964	11.2
83.08636	7.0
85.02917	4.1
91.05477	21.5
93.07024	27.9
94.99257	2.7
95.04974	6.8
95.08604	18.6
97.02898	3.6
97.06525	11.5
98.15917	2.8
99.04417	3.8
105.07020	18.0
107.04952	55.7
107.08591	15.9
109.06503	4.9
109.10149	16.9
111.04432	5.6
117.07050	3.5
119.08598	16.3
121.06500	5.0
121.10149	10.6
123.08030	3.6
125.09687	3.1
129.06995	5.2
131.08516	8.2
133.10110	8.5
135.08018	6.3
137.09605	4.9
139.11136	5.0
143.08545	4.0
145.10109	8.1
147.08118	4.2
149.09601	24.3
149.13280	3.7
153.09195	3.9
157.10133	3.4
157.12265	3.0
159.11633	4.2
161.09586	7.0
161.13246	3.2
165.08975	2.7
173.11708	4.1
173.85664	3.4
175.11157	3.9
195.13890	4.3
202.49664	2.6
222.86461	3.1
226.98186	2.8
235.13441	4.3
269.17661	3.2
273.18478	18.4
291.19528	100.0
309.20670	3.4
463.30646	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01860	6.3
55.05500	9.9
56.35063	2.7
57.03429	8.3
57.07063	6.8
58.07370	3.0
59.04996	32.7
61.02914	6.1
67.05502	12.3
69.03421	23.8
69.07063	45.3
70.06573	3.2
70.74648	8.1
70.74987	3.2
71.04987	7.2
71.08624	3.5
73.02914	7.8
73.06544	6.9
78.41012	3.0
79.05468	3.7
81.03415	15.4
81.07030	16.1
83.08596	4.9
85.02904	54.7
87.00822	26.4
91.03931	4.2
91.05474	5.2
91.16635	3.5
93.07042	5.7
95.04949	2.6
95.08601	3.9
97.02898	34.7
97.06536	2.8
97.10172	10.6
99.04439	7.6
99.14429	3.1
105.01874	36.3
105.05494	10.7
105.06998	4.3
108.04506	4.8
109.02895	18.2
109.10140	19.5
111.11724	32.0
115.11212	7.1
119.08626	3.1
121.10128	6.3
122.06004	3.3
123.04441	3.5
123.06527	4.1
123.11728	5.7
124.07597	6.0
127.03912	35.9
127.11190	42.1
129.12747	61.0
145.04980	15.3
145.12227	7.6
146.06003	8.6
159.02885	9.4
163.07578	6.4
168.06598	6.5
170.85617	2.7
174.05249	3.1
181.08609	5.0
204.06625	3.0
206.08134	6.6
211.08600	4.7
215.16519	7.3
224.10774	4.8
225.10217	11.8
231.04984	12.3
233.17484	8.5
239.11815	11.3
241.09769	3.1
249.06078	3.3
250.08641	4.7
253.09787	7.6
267.11429	13.7
268.11911	3.4
295.10757	8.4
297.12308	4.2
299.10239	4.2
301.14362	5.8
312.25336	3.4
313.11844	50.8
323.10229	4.2
323.14789	3.0
324.10611	4.1
330.26294	10.0
341.11285	29.0
359.12219	5.1
373.13937	100.0
451.58145	3.8
466.19620	7.2
480.21252	4.3
498.21497	7.7
499.22470	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35488	0.9
56.04383	0.7
60.62829	0.8
60.99823	0.7
65.03893	0.7
67.05505	2.0
69.03417	1.8
69.07050	1.2
70.06584	1.8
71.58293	1.9
73.22964	0.7
74.92347	0.8
81.03426	1.3
81.07059	2.1
85.02904	1.5
86.09692	1.2
86.63870	1.0
91.05498	1.1
93.07050	2.2
95.04963	8.9
95.08593	1.4
103.93443	0.8
105.07021	1.3
107.08556	2.3
109.02870	0.8
109.10134	1.7
119.08542	1.4
123.08099	1.6
124.04733	0.7
130.65356	0.8
131.08636	1.3
133.10161	1.6
136.07607	0.9
140.07045	1.0
153.09108	0.8
231.13646	1.4
244.73801	0.8
245.06255	1.5
249.11676	0.7
249.14638	2.7
256.75189	0.8
271.04205	1.1
289.05328	6.2
303.05112	2.3
385.36469	0.9
411.19754	10.2
412.20337	1.0
435.19907	2.3
453.20941	34.8
479.18658	3.3
487.61667	0.9
497.19931	100.0
498.19656	2.3
522.26831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01862	3.9
55.05511	27.3
56.96553	4.5
57.03431	17.7
63.06713	3.9
67.05504	61.8
69.03429	16.9
69.07065	61.2
70.06581	11.6
71.05011	23.1
71.23748	4.1
71.57792	7.8
73.06546	5.9
79.05492	40.5
81.03408	16.4
81.07049	100.0
83.04977	8.9
83.08624	20.1
85.02895	31.0
85.06548	18.9
86.09671	4.4
91.05493	19.9
93.07039	46.4
94.66529	4.1
95.04956	12.5
95.08599	84.4
97.02885	13.8
97.06522	26.8
97.10167	17.4
98.97603	8.6
99.08076	9.3
105.07026	27.0
106.32813	4.1
107.08592	44.7
109.02867	8.0
109.10154	57.5
111.08097	11.4
113.06020	4.1
113.09655	4.0
115.07554	25.3
116.98647	4.7
117.07008	4.7
119.08611	20.0
121.10152	41.1
123.04465	5.8
123.11703	25.8
127.03931	7.3
131.08569	12.0
133.10143	25.6
135.11699	50.7
145.10063	5.7
147.11662	19.1
149.05946	5.3
149.13208	27.1
150.39168	4.7
161.13316	9.2
163.11131	4.9
163.14793	25.4
175.14766	11.2
177.16397	4.8
189.16350	8.2
191.02345	4.7
191.17911	6.9
193.12209	6.1
205.19502	4.5
213.00990	4.4
245.22638	48.9
249.15022	4.6
263.23706	25.4
272.20386	4.0
281.24741	85.6
286.17285	4.4
299.25723	46.6
317.26736	12.1
327.32446	4.3
335.27832	8.0
453.20859	16.6
474.79428	4.1
497.14966	8.1
497.20444	42.2
498.19937	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19851	0.9
61.85944	1.0
69.07076	1.3
69.38813	4.1
69.39236	6.0
70.06600	4.8
71.05006	1.2
71.19758	1.2
75.29601	0.9
81.03429	1.9
81.07057	2.7
85.02892	2.4
86.09677	1.8
91.05508	1.4
93.07078	1.6
95.04975	10.8
95.08599	2.9
97.02888	1.2
98.20785	2.4
107.82233	1.3
109.02892	1.4
120.08131	1.2
127.03902	1.4
179.03438	1.0
234.69498	1.1
249.14629	1.5
249.56544	1.2
271.04254	1.1
289.05164	7.8
351.16724	2.2
365.12686	1.2
369.17892	2.4
411.19812	11.4
435.20038	2.1
453.20926	35.7
479.18805	1.5
497.19916	100.0
498.20190	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10264	1.2
53.03939	3.8
55.01861	3.5
55.05270	1.4
55.05509	15.6
56.05036	8.7
56.96560	2.0
57.03413	4.7
57.07057	3.9
58.06604	1.2
60.04224	1.6
60.04522	30.4
61.02913	4.4
62.46300	1.1
65.03931	1.7
67.05504	30.3
68.05025	1.7
69.03423	19.2
69.07066	20.4
70.06587	8.8
71.04974	4.7
71.08624	1.6
71.46751	2.8
72.04494	3.8
73.02902	4.1
74.06076	1.4
74.53793	1.1
79.05492	17.5
81.03407	8.4
81.07053	36.0
82.06564	4.4
83.04955	2.5
83.08618	14.8
84.04469	1.4
84.08128	1.9
85.02903	43.0
85.06519	4.1
86.06060	3.3
86.09683	3.5
90.05553	2.6
91.03937	1.3
91.05479	10.5
93.07048	17.7
94.06566	1.5
95.04972	3.4
95.08604	34.2
96.08129	3.1
96.08954	1.8
97.02894	14.5
97.06519	4.6
97.10159	6.7
98.97591	4.1
99.04474	3.3
99.08107	3.0
100.11259	8.7
103.05474	1.2
105.07023	7.5
107.04947	1.3
107.08595	10.6
108.08133	1.6
109.02885	6.8
109.06487	2.2
109.10137	14.3
111.04428	1.7
111.11691	1.4
111.83463	1.4
116.07004	1.2
116.98620	4.5
119.04928	1.5
119.08568	5.4
120.08102	2.1
121.10139	18.4
122.06005	1.6
123.04424	4.6
123.11726	6.8
124.07581	2.9
125.09587	2.0
126.09138	3.8
127.03894	11.6
128.07051	2.9
131.08545	2.2
133.10117	6.7
134.99666	1.9
135.04427	1.3
135.11694	11.1
136.69339	1.2
137.05997	2.1
137.13281	4.1
140.07010	2.0
145.04919	3.9
146.99658	2.1
147.11668	4.1
149.01218	1.6
149.13319	5.7
151.14790	1.3
159.07982	1.4
163.14799	2.7
173.01184	1.4
175.11252	1.3
177.16339	1.1
179.03386	4.7
181.04614	1.1
182.15393	4.3
184.07411	1.8
189.09207	1.3
193.74864	1.1
210.14967	4.2
211.16943	2.0
212.17371	2.4
213.17615	2.1
219.21106	1.4
233.22565	2.0
237.10156	4.4
250.25256	2.4
251.11797	1.9
251.23706	2.3
255.38327	1.2
257.09189	2.0
262.25348	10.1
263.23767	1.5
265.09634	4.5
267.11038	1.8
280.26331	23.9
287.10223	2.0
293.09180	4.6
298.27386	43.5
310.75836	1.8
311.10297	5.9
316.28439	66.6
329.11334	2.1
334.29483	100.0
335.29779	2.9
339.09683	7.5
340.28375	1.9
353.11572	1.5
355.47897	1.5
358.29413	3.6
361.75232	1.2
371.12332	10.4
376.30310	2.9
410.15143	1.3
411.19736	3.1
424.30316	2.3
426.15424	1.2
432.83856	1.3
442.31482	4.5
452.18240	1.3
453.21130	8.3
460.32404	3.1
464.18222	3.8
478.33292	8.1
487.37564	2.0
496.18668	8.8
496.34705	42.8
497.19952	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01870	2.4
55.05504	4.5
57.03423	1.8
57.07063	1.7
59.05003	2.3
60.04511	0.5
61.02915	0.9
67.05496	0.7
68.99755	0.5
69.03428	6.6
69.07054	1.3
69.45876	3.9
71.04995	6.4
72.15103	0.4
73.02898	2.0
73.06547	6.0
81.03415	6.5
81.07055	1.0
83.08607	1.6
85.02899	15.7
87.00822	5.9
89.06013	0.8
91.05476	0.7
95.08549	0.5
97.02890	7.8
99.04463	2.9
105.01865	5.7
107.08601	0.7
109.02871	6.0
109.10141	6.7
117.01855	0.9
119.08629	0.6
123.08067	0.5
127.03920	8.8
127.11188	100.0
128.11519	1.2
129.01811	0.6
145.04942	4.9
145.12227	9.5
147.02869	0.4
156.10208	0.7
159.02896	3.1
179.03427	0.5
185.15604	0.5
231.04903	1.9
231.15952	6.1
233.94563	0.5
250.25244	0.5
254.79961	0.5
265.09650	0.7
295.11087	0.5
334.29504	0.9
339.09772	0.8
355.12811	0.9
371.12250	0.9
436.17300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3393
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05024	1.2
57.07058	2.6
58.06605	1.4
59.07393	0.7
60.08160	17.2
67.05459	0.8
68.71043	0.6
69.60736	5.0
71.07378	5.9
71.08642	1.2
81.07052	0.9
86.09703	48.5
98.98459	3.9
104.10738	97.1
124.99999	29.8
129.15677	0.8
145.71416	0.7
154.73164	0.6
156.14951	0.7
184.07332	100.0
258.11002	1.5
293.50061	0.7
313.27335	1.5
390.51685	0.7
478.33023	9.0
496.33951	24.5
508.56912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
57.07060	0.9
58.06624	0.5
60.08162	6.0
67.05512	0.5
69.07071	0.4
69.75983	2.3
71.07372	2.5
71.08603	0.5
81.07050	0.6
86.09702	31.7
95.08565	0.5
98.98469	3.1
100.51434	0.3
104.10738	3.7
109.10164	0.6
125.00003	20.6
143.01120	0.5
162.58400	0.3
184.07335	100.0
185.07654	0.9
230.90474	0.4
468.17404	0.4
478.33044	1.1
496.33792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06425	5.9
55.05497	12.3
65.78306	6.1
67.05495	15.9
69.03431	9.7
69.07058	15.4
70.21152	12.2
70.21551	13.3
71.04981	11.3
72.08144	5.0
72.92621	6.3
73.02930	7.1
79.05460	11.4
81.03420	14.5
81.07050	32.4
83.08578	7.4
85.02903	13.4
86.78549	5.5
87.98747	6.4
91.05473	25.7
92.05806	8.4
93.07030	9.7
95.04946	6.3
95.08600	21.1
97.02863	7.4
105.07007	13.5
107.08607	16.1
109.02878	7.1
109.10148	11.1
111.11827	6.3
119.04950	7.1
119.08571	12.5
121.10231	6.0
127.03957	9.4
130.06520	25.5
133.10040	6.6
135.08075	10.5
145.10086	7.1
163.07545	79.6
163.98129	5.7
175.11285	5.5
179.07072	9.7
181.08606	100.0
371.12350	6.5
464.04312	5.7
464.18005	8.8
496.21973	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83647	3.7
53.03934	13.0
55.01857	18.7
55.05277	5.1
55.05503	38.5
57.03430	44.8
57.07073	4.8
61.02909	17.0
67.05503	87.7
69.03430	43.2
69.07072	24.1
71.01357	8.6
71.04971	8.4
71.58086	5.2
73.02897	13.8
79.05492	95.5
81.03417	46.5
81.07058	100.0
83.04978	17.1
83.08612	18.0
85.02894	29.6
85.06542	7.0
91.03956	9.4
91.05483	76.8
93.07035	82.0
95.04952	24.1
95.08601	65.7
97.02876	26.4
97.06531	14.4
97.10150	9.7
99.04447	10.5
103.03939	8.5
105.07032	66.5
107.04945	7.5
107.08575	57.6
109.02881	9.0
109.06495	14.9
109.10151	20.3
111.04439	7.1
111.08076	7.2
113.06007	3.9
117.07014	30.2
119.08575	50.0
121.06487	10.0
121.10146	41.2
123.08046	6.6
123.11760	8.4
125.09650	7.8
127.03892	13.5
128.06184	11.0
129.05449	9.0
129.06984	20.2
131.08549	43.9
132.95689	4.3
133.06509	8.4
133.10120	41.0
135.08041	7.6
135.11684	25.6
141.06963	5.2
142.07780	6.9
143.08507	17.2
145.05005	6.5
145.10135	37.2
147.07997	6.3
147.11656	37.0
149.13252	19.3
155.08580	10.9
157.10127	18.5
159.08119	4.6
159.11691	27.1
161.09608	8.9
161.13252	12.1
163.11151	5.0
169.10159	10.9
171.11664	9.5
173.09639	6.1
173.11801	5.6
173.13261	16.6
175.14833	9.8
183.11710	9.4
185.13171	10.1
189.12733	4.8
197.13181	7.1
199.14958	6.2
213.16243	5.7
240.40805	5.3
241.19537	9.1
259.20551	28.9
275.19983	5.0
277.21582	15.4
301.21436	8.3
325.21701	6.2
333.24115	23.4
343.22791	6.6
361.23831	5.5
367.22641	9.1
441.26016	10.7
459.27197	10.6
477.27917	9.3
495.29349	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30103	4.5
53.03928	10.3
55.01863	11.8
55.05510	27.8
56.96569	4.1
57.03429	32.7
57.07057	6.7
57.67194	4.1
61.02926	36.6
67.05499	66.1
69.03427	32.4
69.07067	22.3
71.01353	5.8
71.04953	6.6
71.19353	8.6
73.02913	25.6
79.05489	66.0
81.03407	30.0
81.07049	77.2
83.04964	12.9
83.08609	11.6
85.02902	44.7
85.06536	5.8
91.03927	15.6
91.05480	77.9
93.07034	88.1
93.42143	4.1
95.04951	20.6
95.08598	49.5
97.02895	42.7
97.06501	8.4
97.10172	4.4
99.04440	7.4
101.02346	7.5
103.03934	10.0
105.07034	66.9
107.04933	16.6
107.08578	37.9
109.02869	4.6
109.06483	14.1
109.10154	20.4
111.04424	6.5
115.03950	5.5
115.05441	9.9
117.06997	44.5
119.08570	51.9
121.06542	5.2
121.10122	29.4
123.08067	10.4
123.11689	7.9
125.09550	4.5
127.03908	9.3
128.06195	8.6
128.85875	4.3
129.05481	4.5
129.06993	30.2
131.04904	5.1
131.08566	67.1
133.06483	13.9
133.10135	43.4
135.04353	6.7
135.08044	17.3
135.11719	23.2
137.05898	4.0
137.09624	5.6
141.06956	13.5
142.07774	7.1
143.08566	32.8
145.04945	6.2
145.06442	13.4
145.10124	55.1
147.08044	8.7
147.11662	29.0
149.09561	7.9
149.13239	10.6
154.07780	5.8
155.08540	18.8
157.06483	7.9
157.10126	27.9
159.08020	13.4
159.11661	44.9
161.09659	6.6
161.13206	8.9
163.11130	5.0
165.09171	4.6
166.07822	5.6
167.08516	8.8
169.10098	20.5
171.08057	10.9
171.11688	23.9
173.09624	10.7
173.13268	22.7
173.24023	4.2
175.11148	5.5
175.14803	9.6
177.12675	5.3
181.10039	9.1
183.11687	16.6
185.09604	10.3
185.13252	21.8
187.11162	10.7
187.14816	7.6
189.12790	7.3
191.10732	4.9
195.11707	10.7
197.13165	13.6
199.14798	15.3
201.12738	7.2
209.13310	9.2
211.11285	5.0
215.14296	6.7
225.12669	6.6
241.19498	6.9
259.20496	18.8
269.18915	5.8
271.20609	10.5
283.20557	5.6
289.21564	5.9
291.19678	4.5
295.20480	5.1
297.21893	5.1
301.21570	12.4
313.21671	12.7
325.21677	10.1
333.24310	24.0
339.23145	9.1
343.22696	5.5
345.24045	5.6
349.21603	5.7
361.23602	10.9
363.25278	11.5
367.22672	23.9
375.25259	13.8
385.23703	15.0
387.25101	9.4
403.24677	9.9
405.26218	9.6
417.26331	14.0
429.26242	15.9
441.26474	38.7
459.27237	27.6
477.28506	41.2
495.29565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	4.4
53.03941	14.5
55.01874	13.2
55.05286	4.5
55.05516	38.5
57.03443	34.3
57.07063	6.0
57.20008	4.1
59.26655	4.0
61.02923	20.0
65.03928	5.7
67.05507	82.1
69.03435	29.2
69.07076	34.2
69.80783	19.9
69.81190	8.7
71.01363	8.1
71.04995	15.9
73.02923	23.3
75.93964	3.9
77.55685	5.5
79.05495	77.5
81.03424	51.8
81.07063	94.8
83.04980	19.9
83.08610	24.5
84.76109	4.4
85.02906	43.2
85.06535	6.9
91.03957	15.3
91.05487	100.0
93.07040	73.0
93.35624	4.5
95.04969	29.7
95.08598	48.6
97.02904	25.7
97.06510	9.3
97.10147	5.1
101.02386	4.7
105.07043	88.5
107.04978	16.1
107.08598	42.4
109.06515	15.2
109.10146	23.3
111.04414	7.0
111.08080	12.0
115.03942	6.7
115.05478	7.5
117.07015	36.6
119.04950	4.8
119.08593	54.7
119.52280	4.3
121.06522	8.3
121.10138	31.2
123.08073	7.1
123.11689	6.7
125.09632	4.5
127.03912	5.2
128.06236	15.0
129.05493	6.2
129.07016	32.2
131.04857	4.3
131.08575	67.1
133.06514	10.5
133.10161	41.1
135.08047	12.7
135.11697	16.4
137.06090	4.9
139.07550	4.1
141.06978	11.6
142.07773	9.5
143.08553	35.6
145.06487	15.0
145.10139	44.5
147.08047	12.0
147.11685	29.3
147.69452	4.9
149.09630	8.6
149.13255	9.2
153.07065	6.9
153.09148	4.4
155.08566	16.0
157.06552	7.8
157.10115	37.4
159.08055	9.8
159.11728	25.3
161.09602	7.0
161.13251	13.1
163.11237	11.5
165.12733	8.0
167.08603	12.1
169.08873	5.1
169.10107	21.4
171.08040	7.8
171.11674	20.8
173.09633	7.7
173.13271	22.8
175.11206	12.7
175.14821	4.9
181.10237	9.4
183.11699	13.6
185.09579	9.1
185.13255	18.8
187.07417	5.8
187.11160	9.5
187.14825	8.5
189.12810	5.4
193.10625	4.0
193.12242	28.8
195.11806	8.1
197.13219	8.2
199.11223	6.6
199.14906	8.5
201.09079	4.8
201.16542	5.7
203.14415	5.7
209.09746	4.9
209.13272	6.3
211.11508	5.6
211.13208	23.8
211.14986	5.2
215.14337	5.3
225.12729	6.9
241.19644	6.1
253.19353	5.8
259.20569	11.0
267.15652	4.8
271.20615	10.6
283.20453	5.4
285.22079	4.7
297.22244	7.3
299.19968	5.5
301.21570	8.7
325.21582	7.8
333.24152	26.1
349.21628	13.4
361.23895	9.9
367.22617	25.5
375.25165	11.9
385.23752	11.4
403.24734	11.8
417.26337	11.7
423.25055	5.6
429.26260	13.8
441.26151	29.9
459.27411	27.4
477.28555	32.1
495.29849	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60779	1.3
53.03936	5.6
55.01870	6.6
55.05264	2.4
55.05507	28.0
56.96576	1.6
57.03427	15.5
65.03932	2.8
67.05501	43.5
69.03416	8.7
69.07059	12.2
69.92835	5.2
69.93247	3.2
71.04995	9.7
79.05484	47.6
81.03410	100.0
81.06579	3.2
81.07047	51.1
83.04968	23.0
83.08611	42.7
84.08942	2.1
85.02893	57.1
85.06542	3.5
91.05473	60.8
91.14850	1.3
93.07034	34.1
95.04958	47.3
95.08591	22.2
97.02888	6.6
97.06509	7.1
97.10159	9.7
98.21420	2.6
99.04490	2.7
99.08095	2.2
103.05484	1.8
105.07023	45.1
107.04937	9.7
107.08595	15.7
109.02872	1.7
109.06508	8.7
109.10141	9.4
110.78646	1.4
111.04438	6.1
111.08064	21.9
113.06004	5.1
115.05438	3.6
116.98589	1.6
117.07006	5.3
119.08567	35.1
119.09355	2.5
121.06503	2.6
121.10115	15.2
123.08067	6.1
123.11697	5.6
125.09644	3.4
129.06995	18.8
131.08559	18.7
133.06502	4.0
133.10106	16.3
135.08049	2.3
135.11711	2.1
137.02281	1.5
137.09596	4.2
142.07780	6.2
145.10135	6.1
147.08046	6.6
147.11668	26.2
149.09599	10.9
149.13261	1.6
151.11189	1.9
157.10121	18.4
163.07568	2.0
163.11168	2.3
165.09222	1.8
165.12759	8.5
165.16342	1.6
165.82652	1.8
173.09706	2.1
173.13261	2.0
175.11183	21.2
176.11572	2.0
184.07317	2.2
189.11328	2.1
193.12227	97.8
211.13268	90.7
211.15289	3.3
212.13728	2.3
227.12619	1.7
229.08701	2.2
233.15259	1.7
239.09763	1.6
251.05951	1.7
265.11099	1.8
267.15945	4.6
299.05801	1.9
303.05096	3.6
321.67133	1.7
384.16940	1.6
385.23395	2.8
409.15103	2.3
477.28497	4.0
495.29523	65.2
496.29697	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19815	5.8
53.03937	15.2
55.01854	10.5
55.05503	37.0
56.96561	6.9
57.03425	39.4
57.07050	10.3
61.02924	55.4
63.41858	5.4
67.05499	82.2
69.03422	43.5
69.07047	35.4
69.40257	54.6
71.01340	8.2
71.82915	5.0
73.02922	36.7
79.05065	6.5
79.05485	72.6
81.03426	34.7
81.07049	100.0
83.04964	12.6
83.08594	9.3
85.02902	65.3
91.03949	33.3
91.05473	88.1
93.07034	86.2
95.04951	17.9
95.08610	50.2
97.02892	53.0
97.06489	10.1
97.10123	6.6
98.21507	12.9
101.02390	6.6
103.03907	11.7
105.07033	87.0
107.04958	9.9
107.08588	62.6
109.02860	12.0
109.06534	6.8
109.10127	20.5
111.08087	8.2
113.06072	6.3
115.03999	6.9
115.05489	8.4
117.07011	44.5
119.08567	64.8
121.06494	5.9
121.10140	54.7
123.08061	5.9
123.11702	12.1
127.03912	15.5
128.06203	7.4
129.05505	9.3
129.06976	21.3
131.08571	56.8
133.06480	12.9
133.10121	54.2
135.08041	9.8
135.11684	29.9
141.06973	10.4
142.07738	10.7
143.00478	5.1
143.08566	39.4
143.09492	7.6
144.09230	5.8
145.04843	6.3
145.06508	7.4
145.10077	42.8
147.07967	8.4
147.11659	56.0
149.09573	6.1
149.13275	9.8
153.06976	6.3
155.08504	8.8
157.10117	19.6
159.08035	8.7
159.11710	41.2
161.09607	7.5
161.13254	18.7
165.12755	9.3
167.08493	6.4
169.10095	19.2
171.08115	5.7
171.11684	24.9
173.09738	5.4
173.13249	20.2
175.11174	8.7
181.10106	9.7
183.11679	16.0
185.13248	20.3
187.11124	9.5
193.12180	6.5
195.11624	7.8
197.13292	10.7
199.11031	9.0
199.14861	9.5
201.12856	7.3
207.78983	6.1
239.14308	6.1
241.19536	15.3
257.19006	8.3
259.20544	25.9
267.15976	12.0
269.19028	6.1
271.20319	11.8
287.20087	6.3
301.21481	10.2
313.21454	9.4
325.21484	8.2
331.22650	12.6
333.24152	37.7
343.22726	7.3
345.24039	8.9
349.21375	7.7
367.22662	23.0
375.25275	13.8
385.23846	10.5
387.25327	6.8
403.24661	11.9
405.26688	9.6
441.26285	28.6
459.27316	26.0
477.28751	30.5
495.29361	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.2
55.01865	11.9
55.05508	34.9
56.96567	6.1
57.03434	44.7
57.07069	6.0
61.02925	48.7
62.49222	4.6
65.03935	5.4
67.05502	89.3
69.03431	39.3
69.07060	30.6
71.01364	10.1
71.04992	9.2
71.58323	7.1
73.02913	30.4
79.05493	100.0
81.03429	29.1
81.06583	6.8
81.07053	94.6
83.04976	12.6
83.08616	16.4
85.02905	66.4
85.06522	4.7
87.16004	4.1
88.43230	4.3
91.03955	27.9
91.05483	89.3
93.07040	89.2
95.04966	30.6
95.08604	55.6
97.02898	46.3
97.06538	10.6
97.10117	6.6
99.04445	7.7
101.02357	7.8
103.03976	7.7
103.05455	6.5
105.07029	96.5
107.04935	13.0
107.08588	57.0
109.02885	8.1
109.06526	9.3
109.10166	24.8
111.04454	8.9
111.08073	7.3
115.05457	6.9
117.07021	40.9
119.04942	5.3
119.08578	67.6
121.06493	8.3
121.10139	39.8
123.08070	7.7
123.11729	10.8
124.39364	5.2
125.09650	6.1
127.03910	10.3
128.06241	11.6
129.05502	10.2
129.07014	31.6
130.07715	5.3
130.83653	4.6
131.04915	5.1
131.08562	58.4
133.06476	13.2
133.10112	52.7
135.08002	8.0
135.11685	27.8
137.09627	7.6
141.06999	16.6
142.07780	6.4
143.08542	31.3
145.06471	14.4
145.10130	52.8
147.08037	11.2
147.11684	45.8
149.09576	10.9
149.13243	15.8
155.08548	17.8
157.10138	32.0
159.08054	8.0
159.11694	37.3
161.09575	9.3
161.13260	22.4
163.07478	5.1
165.12828	5.1
167.08542	10.4
169.10127	17.3
171.08025	6.8
171.11656	24.1
173.09622	12.1
173.13275	26.1
175.11140	9.1
175.14925	6.2
181.10109	10.0
183.08134	6.0
183.11693	13.5
185.09554	8.7
185.13252	16.6
187.11189	8.2
187.14771	6.1
189.12709	6.7
195.11731	11.0
197.09555	4.2
197.13309	13.3
199.11305	4.5
199.14760	8.0
211.11198	7.6
213.12682	5.5
213.16437	7.8
223.11176	4.7
241.19557	10.8
257.18948	6.7
259.20560	15.8
271.20718	8.8
275.20087	6.6
283.20547	5.9
301.21634	14.7
313.21652	9.6
315.23233	8.9
321.21811	8.1
333.24170	33.5
349.21616	7.3
361.23901	7.9
363.24945	5.2
367.22705	15.2
375.25192	14.6
385.23694	11.9
391.08862	4.7
403.24747	12.2
417.26236	7.4
429.26169	10.4
441.26517	37.5
459.27609	24.3
474.42706	5.0
477.28659	30.0
495.24445	16.4
495.29541	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.6
55.01854	9.6
55.05507	42.3
57.03435	37.7
60.88023	5.4
61.02922	51.6
65.03922	6.1
65.54366	6.0
66.25303	5.7
67.05505	83.4
69.03422	49.6
69.07067	28.7
71.01324	6.2
71.04994	13.8
71.58408	8.9
73.02910	39.0
75.68789	5.5
79.05492	74.1
81.03423	40.3
81.07050	77.9
81.73071	7.0
83.04962	18.5
83.08590	17.7
85.02901	64.3
91.03960	30.8
91.05479	97.0
93.06483	7.7
93.07041	100.0
95.04973	29.8
95.08143	5.3
95.08607	57.4
97.02903	43.0
97.06529	15.9
97.10170	9.8
97.11891	5.0
99.04431	10.7
103.03934	10.3
105.07031	82.5
107.04943	13.2
107.08575	47.7
109.02914	6.3
109.06493	14.0
109.10156	33.4
111.04409	7.3
113.05957	7.4
117.07005	39.9
119.08559	70.9
121.06506	12.4
121.10148	41.0
123.08067	9.6
123.11704	6.6
127.03902	10.1
129.07001	30.9
131.08549	56.1
133.06482	12.1
133.10114	51.5
135.08054	9.2
135.11661	25.8
137.09550	6.5
141.06972	15.5
143.08592	32.4
145.06451	11.1
145.10106	52.6
147.08041	12.5
147.11658	31.8
149.13226	16.6
155.08536	16.1
157.10120	25.0
159.08028	6.9
159.11681	38.1
161.09561	10.7
161.13284	13.9
167.08553	6.7
169.10077	17.5
171.11615	39.0
173.09532	12.8
173.13211	25.1
175.11177	9.0
175.14876	7.6
177.12715	5.7
181.10085	15.8
183.11685	24.1
185.13260	22.9
187.11047	7.5
187.14857	8.3
195.08067	5.8
195.11688	8.6
197.13249	13.0
199.14821	8.1
241.19528	9.9
254.81984	5.8
257.19098	7.6
259.20474	23.7
271.20581	12.1
275.19928	8.8
301.21567	16.3
313.21542	10.9
315.23239	6.4
333.24164	40.1
336.87854	6.3
343.22433	10.9
361.23807	9.5
367.22330	13.7
375.25156	9.6
385.23752	14.0
403.24713	10.9
429.26422	11.3
441.26208	38.0
459.27536	26.7
467.90747	5.9
477.28583	29.2
495.29590	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19774	1.0
52.39568	1.2
55.05498	3.1
56.96547	1.4
67.05498	5.3
69.03415	4.3
69.07078	2.4
69.91114	4.0
69.91523	3.2
70.06579	5.4
71.04985	1.8
73.07986	1.2
78.86619	1.1
79.05492	3.0
81.03416	3.4
81.07047	4.7
83.04977	1.4
85.02906	3.6
86.09692	2.5
91.05473	2.8
91.77811	1.0
93.07050	4.5
94.07407	1.2
95.04994	3.1
95.08595	5.5
97.02870	1.7
97.10140	1.2
98.21478	1.3
98.97606	1.5
105.07053	3.4
107.08611	3.9
108.08992	1.1
109.02905	1.9
109.06550	2.0
109.10174	5.1
110.10538	1.1
116.98640	2.9
117.07032	2.0
119.08604	2.3
121.06422	1.7
121.10142	3.3
123.08115	1.6
123.11684	1.7
125.09618	1.5
127.03934	2.4
131.08542	1.3
133.10155	3.6
134.99666	2.8
135.11641	1.4
136.12021	1.6
137.05959	2.1
144.10959	1.1
144.75598	1.0
145.04974	1.3
159.11780	1.2
167.14308	1.4
168.14645	1.3
175.07549	1.3
179.03459	1.7
182.26892	1.2
211.16975	2.6
212.17342	3.2
229.12329	1.3
237.02751	1.7
247.09389	2.7
247.13107	8.7
275.12585	4.7
295.02603	1.9
307.12125	1.2
316.95734	1.2
371.88486	1.3
391.17569	1.6
409.18924	15.0
421.05481	1.9
427.16681	1.9
435.78128	1.2
451.19473	50.8
495.18323	100.0
496.18204	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.4
55.01848	12.5
55.05513	44.1
56.96570	5.8
57.03436	38.6
61.02925	35.7
65.03929	10.4
67.05503	74.9
69.03431	38.6
69.07055	25.6
69.53094	43.4
71.01347	8.0
71.04987	15.5
73.02904	22.5
75.77116	4.9
79.05489	91.6
81.03410	39.4
81.07056	94.5
83.04980	14.1
83.08599	23.1
85.02911	51.1
85.35138	5.1
91.03947	25.2
91.05472	100.0
93.07039	87.1
95.04962	33.7
95.08596	62.7
97.02892	42.1
97.06517	11.9
97.10148	11.2
99.04451	10.4
101.02362	10.8
103.03960	6.3
105.07025	93.0
105.42625	5.3
105.97122	5.0
107.04964	12.9
107.08598	59.7
109.02841	12.9
109.06514	12.4
109.10136	23.0
111.04419	10.3
111.08044	12.1
115.05454	12.8
117.06989	39.5
119.08581	59.0
121.06503	10.2
121.10146	47.0
123.08044	8.7
123.11655	9.3
127.03905	14.8
129.05437	6.5
129.07013	26.8
131.04996	6.2
131.08548	66.2
132.08914	5.5
133.06494	13.8
133.10101	54.5
135.08031	6.6
135.11664	30.4
137.09541	5.5
141.06975	10.7
142.07739	9.8
143.08592	31.1
145.06451	7.9
145.10118	54.9
147.08060	12.2
147.11690	36.9
149.13257	12.8
155.08531	17.4
157.06454	8.0
157.10146	32.4
159.08070	10.7
159.11678	41.9
160.21931	5.9
161.09602	11.8
161.13239	20.6
169.10150	13.3
169.80266	5.5
171.11690	29.0
173.09598	9.0
173.13237	26.8
175.11180	18.8
175.14893	8.2
181.10075	8.3
183.11656	19.3
185.09659	5.9
185.13257	20.5
187.11182	6.4
191.10658	6.0
193.12244	7.7
195.11710	6.0
197.09816	5.8
199.11182	8.6
199.14853	11.9
201.12715	9.0
215.14409	6.3
233.52774	6.0
241.19540	7.8
243.17308	6.4
259.20609	24.5
271.20471	12.3
277.21704	7.5
285.21497	6.9
287.20023	6.6
295.20572	8.4
301.21555	17.4
333.24280	32.4
343.22699	13.6
349.21774	11.8
357.24268	9.1
361.23663	6.2
363.25351	8.5
367.22684	20.6
373.97919	7.0
375.25299	6.7
385.23431	8.7
388.57291	7.0
403.24640	8.1
417.26071	7.7
429.26187	12.1
441.26343	34.7
459.27338	26.3
477.28400	29.2
495.24951	23.6
495.29315	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1637
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
56.96568	11.6
69.03423	3.1
69.28899	22.8
70.25787	2.1
71.16627	1.9
75.10147	2.3
79.05471	2.3
80.57803	2.5
81.07046	3.4
84.96017	4.3
85.02902	2.6
91.05474	3.4
93.07048	3.3
95.08583	4.4
98.97584	19.4
105.07038	3.7
107.04930	2.5
109.10066	2.9
116.98614	17.4
119.08612	3.0
128.98599	6.3
133.10126	3.8
134.99641	8.1
137.05977	2.6
149.01230	4.0
158.99678	3.5
173.13277	2.2
177.00740	4.2
189.00703	2.4
189.08975	2.5
191.24751	2.4
237.02834	8.5
239.25856	2.6
247.13251	2.5
265.11215	2.4
283.12125	6.4
289.11081	3.4
307.12073	16.7
325.13199	7.3
409.15189	28.4
427.16437	25.0
428.16849	3.0
449.57397	2.2
451.16837	19.6
495.16309	100.0
497.82596	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
56.05018	0.7
57.03418	0.4
57.07055	0.7
58.06612	0.6
60.08159	6.3
67.05486	0.9
69.07050	1.0
70.06590	1.8
70.93316	0.3
70.93650	0.4
71.07367	3.2
71.08632	0.3
79.05470	0.4
80.98002	0.2
81.07043	0.6
83.08593	0.3
86.09700	30.2
87.10054	0.3
88.07635	1.8
91.05475	0.2
93.07051	0.4
95.08602	0.5
98.98466	3.5
102.09171	1.1
102.31975	0.2
104.10737	3.5
107.08578	0.3
109.10120	0.2
121.10158	0.5
124.99995	23.3
129.43323	0.2
135.11662	0.2
139.04027	0.2
143.01039	0.6
149.02338	5.1
149.03467	0.3
151.97295	0.2
153.34499	0.2
184.07327	100.0
185.07739	0.5
193.04947	4.7
235.40169	0.2
237.07542	6.2
254.91310	0.2
277.86099	0.2
284.29453	4.2
284.32275	0.3
291.07785	0.3
311.26010	0.3
313.56012	0.2
476.31400	0.8
494.34808	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.40075	0.6
55.01866	1.0
55.05513	11.0
56.05030	3.6
57.03419	1.0
57.07059	2.2
60.04500	1.2
61.02926	1.4
66.11768	0.8
67.05505	13.9
69.03427	5.3
69.06723	1.1
69.07067	12.0
70.06571	3.3
70.07661	2.4
70.08070	1.2
71.04974	2.1
71.08615	1.4
73.02892	0.9
74.02441	26.4
79.05504	4.7
81.03407	3.1
81.07056	16.5
82.06580	1.7
83.05003	1.1
83.08621	6.2
84.08136	2.0
85.02424	1.3
85.02902	14.9
85.03389	0.5
87.04460	1.2
91.05467	2.6
93.07037	8.0
95.08602	20.9
96.08121	1.1
97.02870	3.2
97.06517	1.6
97.10176	3.6
98.09695	1.0
99.04446	1.4
100.03949	1.1
103.25820	0.8
105.07047	1.4
107.08589	4.8
109.02859	2.9
109.10158	7.7
110.09687	1.4
119.08562	1.4
121.10144	6.0
123.04436	0.8
123.08055	0.8
123.11679	2.0
124.11227	1.9
127.03909	3.3
133.06487	0.8
133.10086	1.4
133.43982	0.7
135.11678	3.2
136.15982	0.7
137.13226	1.0
138.05402	1.0
140.00465	0.7
145.04968	1.1
147.04396	3.9
147.11684	1.2
149.13286	2.2
150.17313	0.8
151.07550	0.9
151.14828	0.9
152.14342	0.7
163.07597	1.0
165.05498	3.3
175.14780	0.9
193.15909	2.4
202.07048	0.7
211.16975	1.8
229.14371	0.9
233.22710	2.2
250.25298	53.0
268.26355	24.3
277.67746	0.7
285.72949	0.8
286.27417	1.0
296.22437	1.5
296.25836	31.5
297.11456	1.0
314.26883	100.0
315.27292	1.1
332.27939	28.7
338.27023	1.4
346.26923	0.9
356.28143	1.6
380.27649	1.2
440.29465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
56.05037	0.5
58.06599	0.7
60.07880	0.5
60.08167	7.8
64.87957	0.3
67.05515	0.6
69.07053	0.9
70.55563	0.7
71.07371	3.0
75.68477	0.3
81.07050	0.6
83.08614	0.4
86.09709	33.8
95.08627	0.6
97.10155	0.4
98.98474	3.4
104.10751	13.9
108.11153	0.3
121.19926	0.3
125.00011	22.7
143.01031	0.6
161.52332	0.4
184.07349	100.0
185.07634	0.6
192.74998	0.3
218.44987	0.4
308.78473	0.4
366.40826	0.3
476.31296	1.8
494.32477	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05508	3.0
56.05036	1.5
57.07056	0.7
58.06588	1.2
60.08161	18.1
67.05499	1.0
69.07067	3.5
69.68613	0.6
70.63078	1.3
71.07365	6.1
71.08612	0.6
76.36012	0.6
81.07067	0.7
83.08622	2.1
86.09703	50.8
95.08569	0.7
97.10172	1.2
98.98469	4.7
104.10741	100.0
109.82213	0.7
110.74155	0.7
125.00008	26.6
184.07335	91.8
185.07655	1.1
258.11002	0.6
265.14484	0.6
311.25690	1.9
476.31403	9.9
494.32376	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04429	1.1
52.86597	1.0
53.29910	0.9
54.70098	1.0
55.01866	2.3
55.05487	1.1
57.03429	2.0
67.05489	4.4
69.03411	4.3
69.07053	4.7
69.31913	12.1
69.81995	1.1
70.06579	2.4
71.04966	4.2
79.05480	4.4
81.03398	4.1
81.07050	5.6
83.04960	1.8
83.08588	1.9
85.02901	7.8
85.06536	9.0
86.09682	2.2
87.00803	2.0
91.05463	3.4
93.07041	8.4
95.04964	2.7
95.08598	9.5
97.02862	4.2
97.06471	1.6
98.21422	2.8
98.97587	1.9
99.04424	1.5
99.08069	6.4
100.11278	1.3
105.07004	4.4
107.04932	3.3
107.08598	10.4
109.02856	2.8
109.06529	1.3
109.10149	20.3
111.08086	1.7
113.05997	2.5
116.98634	2.6
119.04961	1.0
119.08563	6.6
121.10139	4.7
123.11697	4.1
127.03885	3.0
127.11183	1.3
133.10092	4.3
135.04396	1.6
135.11682	24.8
137.09663	1.4
140.37584	0.9
145.05003	1.2
146.06126	1.1
147.04352	1.1
149.13278	5.9
151.07507	1.2
151.14777	1.4
153.12727	14.6
159.02847	1.9
159.11751	1.0
167.14334	2.5
175.14777	11.5
177.00790	1.5
193.15868	3.4
211.16919	100.0
212.17270	1.7
228.10861	1.7
229.08575	6.4
245.08012	2.3
246.08411	2.8
353.11325	1.7
409.14725	2.0
451.18985	1.2
494.18027	1.2
494.32800	2.4
495.17828	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.3
54.44155	1.3
55.01864	1.7
67.05498	2.4
69.03432	4.2
69.07067	4.0
70.06577	1.2
71.04992	17.3
71.25627	2.3
71.25946	1.6
79.05505	2.0
81.03414	2.9
81.07034	3.9
83.04974	1.5
85.02907	6.6
85.06536	2.0
85.44179	1.3
87.00803	2.3
91.05476	2.1
93.07030	3.9
95.04974	2.3
95.08597	9.0
97.02887	2.9
97.06498	2.6
99.03842	2.6
99.04456	44.2
99.05109	2.6
105.01858	1.6
105.07022	2.5
107.08598	6.4
109.02885	2.2
109.06500	2.4
109.10155	4.3
113.09625	5.3
115.07542	2.3
119.08562	5.0
121.06482	1.4
121.10146	3.6
121.83302	1.3
123.04447	3.2
123.08085	3.0
123.11671	2.8
125.09623	2.3
127.03879	3.6
129.06966	1.4
133.10121	4.8
135.11702	14.7
137.05965	2.0
147.04427	9.2
149.05962	1.4
149.13284	1.6
151.14810	2.9
153.12753	1.4
155.16704	1.2
163.03931	1.7
163.07559	3.0
169.15927	1.9
175.14784	6.8
187.07497	8.5
191.03403	4.0
193.15932	7.0
205.05162	1.7
209.50491	1.2
211.16925	100.0
212.17310	1.5
237.09296	1.3
239.07143	1.4
247.09682	8.7
265.08679	1.5
266.09329	1.9
282.08832	2.1
297.11234	30.8
315.12231	45.3
316.12427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01862	2.0
55.05503	2.7
57.03436	1.3
57.07053	1.0
59.37259	0.9
61.02945	0.9
67.05511	6.6
69.03418	4.7
69.07067	5.3
70.26135	3.9
71.04991	6.0
71.41541	0.9
71.73742	0.9
73.02893	1.0
79.05488	2.8
81.03412	2.7
81.07061	6.0
83.04960	1.1
83.08612	1.8
85.02905	7.6
85.06544	12.0
87.00841	1.0
91.05483	3.5
93.07044	9.4
95.04971	2.1
95.08607	10.2
97.02892	3.4
97.06528	2.3
98.20850	1.2
98.97566	2.2
99.04439	2.1
99.08099	4.0
105.01820	1.2
105.07029	3.6
107.04937	2.8
107.08590	15.3
109.02872	3.1
109.06497	1.2
109.09457	1.7
109.10158	20.5
111.08060	1.1
113.06021	1.5
116.98579	1.3
119.04964	1.0
119.08571	6.5
121.10130	4.5
122.06034	0.9
123.11715	4.5
127.03896	3.7
127.11190	2.7
133.10133	6.6
134.99719	1.2
135.04405	2.4
135.11687	29.3
137.09601	1.9
139.11177	1.5
145.04901	0.9
147.11674	2.3
147.12790	1.0
149.13258	9.3
151.14821	1.2
153.12750	18.9
159.02994	0.9
167.14320	2.2
175.14838	12.7
177.00711	1.2
189.08925	1.1
193.15881	4.9
211.16924	100.0
212.17213	2.7
229.08647	4.4
245.07970	1.2
246.08316	1.0
321.04169	0.9
353.11169	2.0
476.32190	1.0
488.84213	1.1
495.17926	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01860	0.7
55.05511	3.2
56.05021	1.7
56.05843	0.8
57.03429	1.7
57.05376	0.4
57.79034	0.3
58.06592	1.3
60.04498	0.5
61.02914	1.3
65.03938	0.6
67.05503	8.1
68.05829	1.2
69.03428	4.8
69.07059	2.1
70.03756	1.2
70.06589	8.5
70.07400	0.8
71.04975	1.1
71.06911	1.6
71.58115	0.5
72.08137	1.2
73.02910	1.1
74.06068	1.5
79.05488	3.5
80.05803	0.7
81.03414	5.6
81.07056	9.2
82.03750	1.2
82.07401	2.7
83.08620	1.3
84.08140	3.3
85.02427	0.6
85.02901	6.7
85.08492	0.7
86.03236	1.1
86.09705	0.6
87.04470	0.9
91.05467	1.7
92.05771	0.6
93.07040	4.0
94.06604	0.4
94.07371	1.2
95.04979	0.8
95.08605	6.9
96.08142	1.1
96.08928	2.8
97.02891	2.6
97.06517	0.7
98.03204	0.6
98.09700	3.5
99.04446	1.2
99.10036	1.2
100.07645	0.5
105.07012	1.8
107.04961	0.8
107.08581	2.5
108.08118	0.4
108.08866	0.6
109.02871	2.6
109.06496	0.7
109.10152	2.9
110.03221	0.9
110.09682	1.0
110.10510	1.0
111.08084	0.5
117.03407	0.5
119.08591	0.9
120.08100	0.7
121.06515	1.0
121.10156	1.3
122.06036	0.5
122.10472	0.5
123.08025	0.4
123.11693	0.8
124.07554	0.4
124.11207	0.5
127.03912	1.5
128.04301	0.3
131.04877	0.4
131.08543	0.6
132.08865	0.4
133.10078	0.6
135.04436	0.6
135.11691	0.7
136.05244	0.6
137.05942	2.0
138.12759	0.4
139.07594	0.5
140.07060	0.6
145.04973	0.4
145.10178	0.5
147.04396	1.1
147.11703	1.0
149.13312	0.6
153.07001	0.5
154.06255	1.1
155.08565	0.8
161.06021	0.8
165.05562	0.9
165.07025	1.6
165.12828	0.4
168.05801	0.4
169.06538	0.4
175.11234	0.6
179.03357	0.5
179.07053	0.4
180.07840	1.7
181.06453	0.8
183.08081	0.8
187.03946	0.5
190.04947	0.6
193.06622	0.5
193.12236	0.5
193.15941	0.7
196.05022	0.4
197.06035	0.8
199.07578	1.1
206.45338	0.3
210.06862	0.5
211.07440	2.5
211.13367	0.7
212.88261	0.4
217.12308	1.2
222.08777	0.7
222.22060	0.5
222.70413	0.4
223.03833	0.4
227.06958	2.5
228.07742	0.7
229.08519	0.6
235.13332	1.3
236.09393	0.5
237.05574	0.5
237.10269	1.7
239.06961	3.7
240.07870	0.8
241.08504	0.5
243.10176	0.7
247.09761	0.7
248.23698	0.8
249.24147	0.4
250.25294	8.5
251.07173	0.7
251.11740	1.4
251.23256	0.3
251.25623	7.6
251.28059	0.6
252.23247	6.2
252.26019	6.1
253.14406	1.7
253.23573	6.1
254.09502	1.4
254.23796	4.2
255.06476	2.8
256.07465	0.6
265.09680	1.7
266.24921	0.4
267.06522	2.1
268.07294	0.5
268.26358	1.3
269.08047	0.6
269.26678	1.8
270.08850	1.1
270.24210	0.5
270.27002	1.4
271.09695	1.7
271.24695	0.6
272.24847	0.9
273.11212	4.3
276.23209	4.4
277.23575	4.3
278.23923	3.7
279.11334	1.5
282.08954	2.2
283.09619	2.7
284.06921	0.6
287.09351	1.4
293.09213	1.7
294.24271	2.5
295.11035	0.5
295.24564	2.3
296.24951	4.0
297.11404	0.5
298.08374	1.1
299.09125	12.5
301.10721	3.0
302.11493	7.3
307.10983	0.6
309.12299	0.5
312.25336	7.3
313.07074	1.6
313.10999	1.4
313.25644	8.8
314.07471	3.9
314.11420	24.8
314.25974	11.6
315.11642	0.5
325.11856	1.2
327.86407	0.4
330.26486	2.9
331.08096	0.8
331.26770	4.1
332.08444	2.6
332.12579	7.2
332.26999	7.5
335.10324	0.9
353.11288	7.8
457.30164	0.5
458.30176	2.9
475.30957	1.9
476.31281	9.5
493.31998	15.2
494.32275	100.0
513.37488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79880	2.1
53.18929	2.2
55.05510	21.6
57.03428	12.0
57.07073	30.3
67.05503	27.4
69.07062	29.4
69.25185	8.4
69.25606	22.5
71.08635	20.9
78.16999	2.6
79.05486	9.4
81.07061	30.6
83.08621	27.4
85.10183	13.4
85.43076	2.8
91.05457	4.5
92.70461	2.5
93.07028	11.8
95.04967	3.3
95.08610	35.5
97.06505	4.5
97.10155	11.3
98.98457	57.7
103.65808	2.6
107.08587	6.6
109.10143	12.9
111.08049	2.6
111.11715	5.0
113.64692	2.4
121.10123	10.6
123.11675	6.6
124.51881	2.6
135.11668	10.4
137.00015	5.8
145.51686	2.5
146.10442	3.1
149.13205	3.8
155.01036	55.9
163.07625	2.6
195.14781	2.5
211.03770	3.3
236.21356	2.7
239.23682	17.1
247.23958	4.2
265.25266	7.4
313.27341	37.5
326.89044	2.8
339.28915	100.0
340.29327	5.6
475.27893	15.1
493.31763	3.8
505.36334	3.3
514.91260	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.5
57.03422	4.7
67.05487	13.0
69.03416	10.5
69.07063	5.5
69.93536	16.1
69.93945	9.7
77.33506	4.7
79.05508	4.8
81.03403	13.6
81.07063	10.0
85.02885	19.0
87.00842	6.1
91.05482	82.8
93.07043	12.0
95.08580	6.8
97.02892	17.0
99.04457	6.8
105.01912	6.3
105.06994	6.3
107.04957	10.8
107.08591	7.4
109.02876	5.6
119.04964	9.4
121.10126	6.3
123.11626	5.9
127.03873	17.8
145.04935	8.6
151.07483	7.3
161.06006	6.8
165.09181	6.7
167.89056	3.9
179.07042	100.0
188.71417	4.1
365.56427	4.8
421.09570	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
54.97949	1.2
55.05510	19.8
57.03431	11.8
57.07080	7.4
59.01049	1.0
67.05499	20.3
69.06721	2.1
69.07071	25.5
69.14186	1.1
70.15662	3.1
70.16071	4.7
71.08623	3.8
79.05490	6.7
81.07056	21.4
83.08614	16.7
85.10178	2.4
90.04462	1.1
91.05476	1.3
93.07044	11.3
95.08050	2.1
95.08600	20.7
96.03234	1.3
97.06511	3.5
97.10167	10.9
98.98466	51.1
99.14591	1.1
102.55891	1.3
105.06998	1.2
107.08578	6.5
109.10149	8.6
111.08044	3.6
111.11712	3.2
113.31123	1.1
116.99509	2.3
121.10133	12.1
123.11653	2.3
124.50848	1.1
135.11705	8.1
136.99989	4.8
149.13235	2.5
151.07434	1.1
155.01038	58.5
163.14931	1.2
165.16481	1.4
193.02556	1.9
211.03601	4.0
229.04709	2.5
247.24101	3.0
265.25333	7.9
339.28955	100.0
340.29211	2.4
349.27032	1.2
361.16516	1.5
475.28333	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81019	5.3
55.01874	12.5
55.05511	31.9
55.86435	5.5
57.03431	5.7
57.07050	7.8
59.27465	5.7
59.35549	5.4
59.98955	5.2
62.52635	4.9
62.71296	5.8
65.14706	5.3
67.05496	53.2
69.07050	13.3
70.86298	5.7
71.58536	8.9
79.05491	67.1
81.07059	40.7
81.10445	5.1
83.04974	20.8
83.08597	14.4
91.05466	34.9
93.07044	48.9
95.04950	11.8
95.08590	29.6
97.06519	11.0
97.10155	16.4
98.98463	8.7
103.83374	5.1
105.07021	50.9
107.04953	28.6
107.08572	56.1
109.06470	5.2
109.10172	32.5
109.10871	5.0
111.08147	5.8
117.06996	14.9
119.08576	31.2
120.12597	6.2
121.10150	15.6
125.09623	15.0
131.08546	24.7
133.10133	23.5
135.08069	9.3
145.10132	10.6
147.11684	17.0
149.09615	57.2
153.09171	7.7
159.11662	8.4
169.12184	7.6
173.11765	12.5
173.13197	7.8
189.11226	16.2
209.15535	11.0
219.13657	5.8
229.19496	10.4
257.18930	18.7
275.20041	100.0
398.42743	5.8
474.18973	5.6
493.34235	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	24.8
55.14094	6.5
57.03421	9.4
57.07068	53.1
67.05505	34.8
69.07061	20.3
69.18336	7.0
71.08623	27.8
76.16248	6.2
79.05498	13.4
81.07057	33.3
82.80131	7.0
83.08607	19.4
85.10170	15.7
86.09700	8.7
91.05467	12.0
93.07042	18.5
95.08604	49.6
97.10127	11.2
105.07021	11.8
107.08587	16.6
109.10137	24.4
119.08544	10.3
121.06435	10.6
121.10130	14.8
123.08066	9.5
123.11665	8.2
129.83479	6.8
131.08615	8.7
145.10106	13.0
167.03477	8.4
206.75975	6.7
216.75084	7.1
239.23682	34.3
254.96004	9.4
275.20120	33.0
307.04544	8.6
313.27338	100.0
347.17142	31.8
347.67453	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01618	2.3
55.01861	14.6
55.05508	40.1
55.23742	2.4
57.03432	16.3
59.05001	6.0
61.60725	2.8
65.03958	3.1
65.39895	2.5
67.05504	54.2
69.03423	9.6
69.07075	14.1
71.04987	10.5
71.58654	2.6
78.70847	2.5
79.05061	5.2
79.05493	58.5
81.03414	100.0
81.07056	64.7
83.01331	10.1
83.04977	28.0
83.08613	36.5
85.02905	34.9
85.06536	6.0
86.98330	2.9
91.05479	61.1
93.07040	50.7
95.04963	46.6
95.08602	30.4
97.02890	10.0
97.06513	12.2
97.10158	10.2
99.04457	5.1
103.05459	3.1
105.07027	51.2
107.04961	22.3
107.08595	29.9
108.64445	3.0
109.06502	17.7
109.10155	12.6
111.04430	11.4
111.08063	15.7
113.05988	2.7
115.05480	4.1
117.06991	18.1
119.08588	38.0
121.06484	9.1
121.10139	27.5
123.08039	14.4
123.11707	4.4
125.05921	4.3
125.09645	5.6
129.06967	16.4
130.07751	5.1
131.08540	22.7
133.06490	6.7
133.10120	23.5
135.08023	4.1
135.11685	17.6
137.09601	5.3
142.07788	3.4
143.08560	5.6
145.10110	28.5
147.04433	2.9
147.08060	8.8
147.11687	18.7
149.05884	3.5
149.09613	9.1
151.11212	3.5
153.12703	7.2
155.08546	4.1
157.10118	17.9
159.09149	3.3
159.11746	5.3
163.11179	38.1
165.08968	3.1
165.12793	5.7
173.09575	6.6
175.11195	20.7
181.12175	6.1
183.11722	4.8
191.10652	5.2
193.12231	72.6
195.11552	3.4
209.11757	12.0
211.13286	59.8
227.12776	6.9
275.20221	3.8
283.15384	4.0
289.86667	3.3
383.22253	6.7
401.23047	4.6
475.26706	5.0
493.27847	87.8
494.28220	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83236	0.3
67.05486	0.9
69.03414	0.7
69.07050	0.8
69.38057	3.9
79.05472	1.1
80.64785	0.3
81.03397	0.6
81.07038	1.4
84.43832	0.3
85.02890	0.7
91.05470	1.1
93.07002	1.1
95.04951	0.6
95.08586	1.4
97.02901	0.7
105.06999	1.2
107.04939	0.5
107.08566	0.9
109.02840	0.5
109.10134	1.0
119.08565	0.6
121.10148	0.8
123.08031	0.5
123.11752	0.4
133.10095	0.5
137.05986	0.9
147.04413	1.1
149.05984	0.5
151.07544	1.6
161.02983	0.4
161.06015	0.5
163.03929	0.5
163.07503	1.9
165.09177	1.0
167.06978	0.4
169.04712	0.5
171.04247	0.4
173.02280	0.4
175.07619	0.4
181.08638	0.5
183.70302	0.4
185.04224	1.5
186.06448	0.8
189.09090	0.4
203.10651	0.5
226.06825	0.6
227.05231	0.5
265.09229	1.1
267.08347	0.5
324.05182	0.4
329.08450	2.1
339.05261	0.3
349.12534	3.7
350.13135	0.5
355.08032	0.4
390.13812	0.4
390.19336	0.4
391.13406	0.8
431.16681	8.7
433.14728	4.4
456.98825	0.4
475.15689	0.8
475.27225	0.5
493.16745	100.0
494.16922	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88608	0.7
53.03939	1.7
55.01861	3.0
55.05494	2.6
56.96556	2.0
57.03428	1.1
57.07074	1.0
59.05036	0.7
67.05495	6.6
68.99771	0.9
69.03416	3.0
69.07054	2.2
71.04996	1.3
79.05489	8.0
81.03416	6.3
81.07057	7.3
83.04971	2.2
83.08614	1.3
84.08088	1.0
85.02898	2.6
85.06535	1.1
89.28378	0.7
89.88210	0.8
91.05476	9.0
91.17044	0.9
93.07054	5.9
95.04957	5.1
95.08603	4.5
96.82568	0.8
97.02836	0.8
97.10137	1.2
98.20724	1.4
98.97589	1.1
99.08090	1.0
103.05457	6.6
105.07032	13.8
107.04939	3.2
107.08570	3.3
109.02876	0.9
109.06506	2.1
109.10168	3.7
111.04412	2.2
111.08074	1.5
115.05446	2.0
116.98611	0.8
117.07014	4.5
119.04968	1.0
119.08568	3.6
120.05698	1.0
120.08075	0.8
121.06483	1.9
121.10136	2.7
123.04427	2.6
123.08066	1.2
123.11668	0.9
125.06029	1.1
125.09605	1.1
127.03913	1.2
128.06223	3.2
129.07025	3.8
131.04918	2.2
131.08574	3.0
133.06487	2.6
133.10098	1.9
135.04416	1.1
135.08066	2.4
135.11665	1.5
137.02348	1.6
137.05959	1.9
137.09570	0.8
139.11192	1.0
141.06967	2.5
142.07747	0.9
143.08549	1.8
144.05746	1.1
145.06461	4.4
145.10126	2.9
147.04340	2.1
147.07994	2.0
147.11670	1.2
149.05984	2.8
149.09627	1.7
151.07576	3.7
153.06947	1.5
153.12776	1.1
154.28206	0.7
155.08508	2.7
157.06491	1.5
157.10126	2.3
159.04385	1.6
159.08057	2.0
160.05144	1.6
161.05969	3.0
161.09636	1.5
161.13176	0.9
162.05621	0.7
163.07542	100.0
163.11214	2.0
165.07008	1.9
165.09109	1.9
165.12762	0.9
166.09436	1.0
167.07086	0.8
171.04424	1.7
171.08069	1.5
171.11711	1.1
173.05980	5.5
173.09608	1.6
173.13208	1.1
175.07547	3.5
175.11185	1.0
177.09035	1.9
179.07088	1.3
181.06526	1.3
181.08577	1.3
183.08038	1.1
184.05136	0.9
185.06003	2.1
187.07549	7.7
189.09061	6.4
193.12427	0.8
195.11723	1.0
197.05945	1.8
199.07587	1.9
201.05443	6.2
201.09137	1.8
203.06985	3.1
205.08611	2.4
209.11746	0.9
211.07567	3.1
213.05421	2.8
215.07034	2.7
219.01547	0.8
227.07019	8.4
237.02805	1.6
239.06992	7.8
290.09445	0.9
291.08548	1.1
295.22571	0.8
331.12115	1.3
347.12811	1.9
361.14380	2.2
371.12827	1.5
374.11374	1.0
383.22165	0.9
389.13846	17.7
404.56165	0.8
407.09940	4.1
407.14926	4.6
425.11472	1.0
449.16284	1.7
475.26245	1.0
492.32028	1.3
493.15015	7.2
493.20694	2.7
493.28159	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65964	5.2
53.03930	9.8
55.01863	16.2
55.05499	21.2
57.03434	7.5
67.05492	39.9
67.12978	4.8
69.03419	24.2
69.07059	22.8
70.40474	6.4
70.40820	20.4
71.04989	10.4
73.23044	5.3
79.05494	36.5
81.03417	58.0
81.07042	51.3
83.04979	22.2
83.08622	19.6
85.02888	25.5
89.33524	5.3
91.05470	100.0
93.07040	41.0
95.04994	27.9
95.05485	4.6
95.08602	36.1
97.02890	22.0
97.06513	13.2
97.10149	9.5
99.03555	5.2
99.04428	9.5
100.78435	5.0
105.07047	24.6
107.04948	17.7
107.08596	30.3
109.02861	9.8
109.06482	9.7
109.10168	21.5
111.04431	24.4
111.08091	17.0
117.06994	13.8
119.08590	24.3
121.06494	7.6
121.10147	19.1
123.07999	5.9
123.11709	8.1
125.09627	6.1
125.96704	5.5
127.03914	16.1
129.07013	7.8
131.08578	19.8
133.06445	6.4
133.10141	14.2
135.08044	8.9
135.11697	17.4
137.05981	6.8
137.09564	7.9
143.08521	8.4
145.04976	6.5
145.10123	17.0
147.08006	7.1
147.11658	10.2
149.09616	11.9
153.12770	8.2
157.10094	14.3
159.07990	6.5
163.07556	40.6
163.11211	21.7
165.09171	5.5
167.07014	5.8
171.11682	6.6
173.13185	6.6
175.11143	8.7
181.12268	15.9
189.09019	6.8
191.10712	12.0
193.12225	18.3
227.12758	14.3
249.14774	8.7
283.15283	11.5
383.21875	6.7
475.26810	11.2
493.28314	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05505	3.0
56.05019	1.1
57.03437	2.0
58.06594	2.2
65.03953	0.5
67.05503	7.5
69.03419	1.7
69.07065	2.6
70.06591	15.3
70.73798	0.9
71.04983	1.2
79.05492	3.0
81.03418	5.5
81.07055	8.8
82.06575	0.9
83.04951	0.5
83.08620	1.2
84.08114	1.4
85.02908	2.7
91.05480	1.9
93.07038	4.6
95.04955	0.5
95.08605	8.8
96.08125	1.5
97.06563	0.5
98.09695	2.7
99.04443	0.5
105.07005	1.2
107.08603	2.4
109.02874	3.7
109.06516	0.7
109.10161	2.7
110.09683	0.6
116.34099	0.4
119.08599	1.1
121.10136	1.6
127.03903	0.5
129.36081	0.3
131.08586	0.4
131.96953	0.4
133.10123	0.8
135.11729	1.2
138.12823	0.4
145.10159	0.5
178.66934	0.4
191.14307	0.5
248.23749	1.6
250.25320	12.9
251.25635	0.5
252.23210	17.1
253.23546	0.9
268.26364	1.3
270.24335	1.6
276.23224	9.9
294.24219	8.8
304.89227	0.5
312.25311	5.9
327.54361	0.4
330.26358	0.9
354.61523	0.4
456.29578	4.8
474.30618	27.4
475.30881	1.3
492.31653	100.0
493.32022	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65964	5.2
53.03930	9.8
55.01863	16.2
55.05499	21.2
57.03434	7.5
67.05492	39.9
67.12978	4.8
69.03419	24.2
69.07059	22.8
70.40474	6.4
70.40820	20.4
71.04989	10.4
73.23044	5.3
79.05494	36.5
81.03417	58.0
81.07042	51.3
83.04979	22.2
83.08622	19.6
85.02888	25.5
89.33524	5.3
91.05470	100.0
93.07040	41.0
95.04994	27.9
95.05485	4.6
95.08602	36.1
97.02890	22.0
97.06513	13.2
97.10149	9.5
99.03555	5.2
99.04428	9.5
100.78435	5.0
105.07047	24.6
107.04948	17.7
107.08596	30.3
109.02861	9.8
109.06482	9.7
109.10168	21.5
111.04431	24.4
111.08091	17.0
117.06994	13.8
119.08590	24.3
121.06494	7.6
121.10147	19.1
123.07999	5.9
123.11709	8.1
125.09627	6.1
125.96704	5.5
127.03914	16.1
129.07013	7.8
131.08578	19.8
133.06445	6.4
133.10141	14.2
135.08044	8.9
135.11697	17.4
137.05981	6.8
137.09564	7.9
143.08521	8.4
145.04976	6.5
145.10123	17.0
147.08006	7.1
147.11658	10.2
149.09616	11.9
153.12770	8.2
157.10094	14.3
159.07990	6.5
163.07556	40.6
163.11211	21.7
165.09171	5.5
167.07014	5.8
171.11682	6.6
173.13185	6.6
175.11143	8.7
181.12268	15.9
189.09019	6.8
191.10712	12.0
193.12225	18.3
227.12758	14.3
249.14774	8.7
283.15283	11.5
383.21875	6.7
475.26810	11.2
493.28314	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.98800	0.6
55.01868	1.2
55.05508	3.9
56.05019	2.7
57.03434	1.9
58.06583	2.3
60.67877	0.8
61.02922	3.3
67.05231	0.6
67.05503	7.7
69.03428	9.9
69.07074	3.4
69.98724	3.5
70.06582	5.9
71.04976	1.1
72.08131	1.9
73.02911	2.1
74.06069	3.8
77.36075	0.7
79.05483	3.1
81.03403	2.7
81.07046	9.8
83.08632	1.6
84.08141	5.2
85.02897	12.8
85.06516	0.8
87.04458	1.8
90.31328	0.6
91.05514	1.2
93.07037	3.8
95.04952	1.1
95.08607	9.5
96.08105	1.4
97.02900	5.7
98.09695	3.4
98.21442	0.8
99.04428	1.4
103.75658	0.7
105.07062	0.9
107.08585	2.1
109.02883	1.4
109.10168	4.1
110.09620	1.1
119.08556	1.1
121.10146	1.5
126.35504	0.8
127.03917	2.7
133.10123	0.9
135.11604	1.0
145.04951	1.2
149.13211	0.8
209.15358	1.0
218.82838	0.7
222.22334	1.0
248.23651	0.9
250.25287	32.4
252.23250	12.6
266.24890	1.3
268.26346	17.9
270.24323	1.4
276.23129	5.3
291.19156	0.7
294.24332	6.1
312.25339	24.6
313.25708	1.1
314.39328	0.7
330.26385	53.5
331.08124	1.1
331.26553	1.8
354.26413	1.3
372.27429	0.7
474.30725	2.7
492.31674	100.0
493.32053	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69362	0.6
53.03942	0.7
55.05506	4.1
56.05020	1.9
57.03424	2.3
58.06586	1.7
66.86204	0.5
67.05501	7.7
69.03419	1.6
69.07056	2.8
70.06589	12.3
70.85945	0.7
70.86271	1.3
71.04979	0.8
72.08163	1.5
74.06067	2.2
74.96175	0.6
79.05483	3.5
81.03410	4.6
81.07053	8.4
82.06597	0.6
83.04975	0.8
83.08608	1.2
84.08146	3.2
85.02911	2.8
91.05484	2.0
93.07034	3.6
95.08607	9.4
96.08130	1.6
98.09728	3.8
99.04440	0.9
105.07037	1.2
107.08582	3.0
109.02883	3.2
109.10153	2.7
110.09612	0.7
119.08513	1.1
121.10139	2.2
135.11723	1.4
138.12752	0.6
171.53807	0.5
224.20178	1.0
248.23723	1.8
250.25291	16.3
252.23230	21.1
252.25790	1.1
253.23799	0.6
268.26392	2.0
270.24265	3.2
276.23227	16.6
294.24316	11.7
312.25336	8.9
330.22763	0.8
330.26266	1.4
357.11288	0.6
438.28464	1.1
456.29559	5.8
474.30640	25.2
475.31262	1.2
492.31656	100.0
493.32095	4.2
518.64368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	7.6
56.77868	4.5
57.03437	23.0
62.06089	100.0
67.05503	40.3
69.07059	7.9
69.82937	4.4
75.04456	10.8
79.05483	18.0
81.03410	5.4
81.07057	40.9
82.53631	5.6
91.05457	16.0
93.07027	19.9
95.04960	4.5
95.08604	27.3
98.98468	58.7
105.07027	11.9
107.04895	4.3
107.08601	10.2
109.10141	14.1
119.08537	11.8
121.10099	8.7
123.11713	7.2
133.10117	6.1
135.11729	6.5
137.99686	4.7
143.08572	6.8
145.10165	7.3
155.01050	48.5
155.17427	4.7
173.02092	6.7
241.19679	5.8
259.20526	7.0
284.98514	5.1
325.85107	5.1
351.25296	52.3
437.03568	5.3
474.26349	6.4
492.30936	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3164
Annotation	Morusimic acid C
Peak:m/z	Relative Intensity
53.03949	0.9
55.05513	3.0
56.05027	1.7
57.03437	1.1
58.06594	1.3
67.05505	6.5
69.03423	1.5
69.07071	1.9
70.06591	5.8
70.35656	1.3
71.05001	1.1
72.08158	1.1
74.06079	2.3
74.06427	0.4
78.34088	0.4
79.05495	3.3
81.03418	5.1
81.07058	8.0
82.31056	0.4
83.08614	1.0
84.08144	4.0
85.02904	2.7
91.05472	1.8
93.07025	3.6
95.07326	0.4
95.08603	7.7
96.08121	1.6
97.06554	0.4
98.09692	2.7
99.04468	0.4
105.07021	1.1
107.08585	1.9
109.02884	2.5
109.10157	2.1
110.09707	0.5
117.57317	0.4
119.08575	0.8
121.10159	1.2
122.92667	0.4
124.03938	0.4
135.11688	0.7
152.14311	0.6
248.23769	1.6
250.25275	10.9
252.23239	12.2
252.25771	0.7
268.26376	1.7
270.24362	1.5
276.23196	10.9
294.24301	8.6
312.25284	4.9
330.26370	1.8
456.29541	4.5
474.30536	13.6
475.30869	0.6
492.31668	100.0
493.31985	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
53.55931	0.9
55.05507	8.5
57.01919	0.8
57.03433	24.2
62.06077	1.5
65.03923	1.9
67.05499	42.6
69.03420	1.1
69.07066	7.0
71.58199	1.6
75.04477	11.2
75.60744	0.9
79.05486	14.9
81.06586	1.8
81.07053	35.7
83.04946	1.0
83.08607	3.2
91.05479	7.7
93.06483	1.0
93.07040	12.8
95.04951	2.2
95.08602	31.5
96.83331	0.8
97.06492	1.6
97.10156	1.1
97.40086	0.8
98.98467	7.0
100.11340	0.8
103.03918	5.0
104.42545	0.7
104.60877	0.7
105.07012	4.8
107.08580	8.2
109.10154	12.8
111.08075	0.9
111.16259	0.8
117.07036	0.9
119.08556	3.5
121.10120	4.7
123.11700	4.4
131.08540	1.7
133.10110	3.8
135.11691	4.2
137.13237	2.2
145.10133	1.8
147.11662	3.0
149.13252	2.4
154.04964	0.8
161.13217	2.2
171.11729	1.2
173.02126	2.9
216.06316	1.1
231.21179	1.1
241.19487	1.2
249.22050	1.9
250.25497	1.1
259.20676	1.2
351.25272	100.0
352.25638	2.5
474.30389	1.7
492.31616	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01864	0.5
55.05504	1.6
56.35740	0.3
57.03414	0.4
57.07074	0.4
59.05012	0.4
65.03934	0.5
67.05188	0.3
67.05505	5.3
69.03412	0.9
69.07057	2.2
70.06573	0.6
71.04972	1.2
71.58412	0.6
72.08122	0.4
74.42091	0.3
76.55709	0.3
76.95696	0.3
79.05489	1.6
80.94991	0.3
81.03402	1.0
81.06583	0.5
81.07052	6.6
83.04980	1.6
83.08619	0.9
85.02899	0.9
85.06535	0.7
86.09694	0.5
91.05479	2.2
93.07051	3.3
95.04950	1.4
95.08604	5.5
97.02860	0.9
97.06499	0.6
97.10167	0.5
99.08083	0.5
101.06020	1.6
105.07027	2.2
107.04951	0.5
107.08588	3.1
109.02846	0.6
109.06516	0.9
109.10151	7.5
111.08098	0.3
111.11761	0.3
115.05466	0.3
115.52575	0.3
115.54541	0.3
117.07006	0.6
117.69760	0.3
119.07954	0.3
119.08595	3.7
121.06483	0.5
121.10147	2.2
122.07296	1.6
123.04432	0.6
123.08068	0.6
123.11708	1.6
123.60345	0.3
125.09586	0.6
127.03921	0.8
128.06194	0.3
129.05495	0.4
129.06963	0.6
131.04875	0.3
131.08528	0.6
133.10107	1.0
135.04401	0.3
135.08078	0.7
135.11674	1.3
137.05983	1.5
137.09613	12.6
137.13211	0.9
139.07533	0.4
139.11195	0.4
141.06924	0.3
141.09114	0.4
145.06473	0.4
145.10159	0.3
147.11632	0.7
149.06026	0.7
149.09619	2.1
149.13266	1.3
151.07587	0.8
155.10660	1.4
157.08594	0.5
159.07993	0.3
159.11714	0.4
161.09674	0.5
161.13303	0.6
163.03992	0.4
163.07593	0.5
163.14847	0.9
165.09109	100.0
166.09477	1.9
167.07050	0.7
167.14322	0.8
169.08646	0.8
173.13213	0.4
175.11102	0.6
177.09154	0.8
178.05022	0.5
179.10645	0.6
181.05081	0.4
187.11148	0.3
189.09132	0.6
191.10645	0.6
201.11223	0.5
203.10695	0.7
203.14331	0.5
205.08745	0.3
205.12233	3.5
215.07147	0.3
217.15701	0.4
239.12813	0.4
239.16402	0.4
244.09723	4.8
245.15158	0.3
257.08224	0.5
281.24661	0.6
309.24231	1.3
321.24216	1.4
329.12680	0.5
353.11154	0.4
427.32172	0.5
473.32584	0.9
474.15872	0.4
491.29712	1.9
492.17505	0.4
492.31369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74362	1.2
53.03930	3.3
55.01864	4.2
55.05500	6.3
55.33481	1.3
57.03434	6.7
57.77163	1.3
59.04984	1.9
61.02904	2.1
61.16993	1.2
65.03938	1.9
67.05501	12.3
67.43947	1.4
68.05044	2.1
69.03426	17.2
69.07059	7.7
69.46276	1.6
69.50632	3.1
69.51036	10.2
70.06590	7.4
71.04993	4.0
72.08130	1.9
73.02909	2.9
74.06068	1.5
78.75871	1.3
79.05498	6.7
80.05007	3.7
81.03403	11.2
81.07062	16.4
82.06606	2.0
82.07343	1.5
83.04961	6.3
83.08626	3.4
84.08145	4.4
85.02898	24.1
85.06535	2.7
86.09718	1.7
87.00837	7.0
91.05473	5.9
93.07054	10.0
94.06560	3.3
95.04957	2.9
95.08609	14.3
96.08134	5.0
96.38524	1.4
97.02889	12.5
97.06516	4.3
98.09708	3.8
98.21540	2.6
99.04452	3.8
99.08069	1.8
105.01849	6.4
105.07038	7.0
107.04950	2.4
107.08595	23.3
108.08112	1.8
109.02886	11.1
109.06512	4.2
109.10157	15.1
110.09660	3.9
111.08088	3.9
119.08556	4.7
120.08100	4.6
121.06499	2.0
121.10137	18.0
122.05975	2.1
122.62228	1.4
123.11724	3.1
124.07534	2.0
125.09643	5.4
127.03900	15.4
129.09151	1.5
131.08588	2.8
133.10130	5.3
135.08060	2.8
135.11646	4.3
137.05989	2.2
137.09595	11.7
138.09152	3.3
139.11133	1.6
145.03946	1.7
145.04915	6.8
145.10167	3.4
147.11621	3.8
149.09633	3.3
149.13249	11.4
151.11165	16.5
153.09190	1.8
159.02904	3.0
161.13246	1.8
163.03955	2.6
163.14848	13.1
165.12767	4.3
166.08580	8.3
167.07056	2.2
169.12274	6.9
173.13240	14.8
191.14297	38.3
209.15379	28.4
213.03984	1.5
218.71547	1.7
227.16412	100.0
228.16753	2.3
231.05040	2.9
237.10091	3.0
249.10249	2.5
250.11006	3.2
250.25247	11.5
251.08154	1.8
252.23230	12.6
253.09592	1.6
265.09723	4.1
268.26373	4.1
270.24313	2.4
276.20612	1.5
276.23215	8.3
278.10495	3.2
281.09204	1.7
283.10818	1.6
293.09290	2.0
294.24228	11.0
295.10809	2.3
311.10373	4.1
312.25360	17.0
327.09756	2.5
330.26334	24.3
339.09680	4.6
352.10495	4.1
353.11325	7.3
354.11926	1.7
354.26553	1.7
456.29477	2.8
464.18024	2.8
474.16711	2.9
474.30737	11.4
492.17542	6.3
492.31613	88.6
493.31732	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79855	0.4
55.05494	1.7
57.03416	0.4
67.05505	6.3
69.07049	1.6
69.58321	2.1
69.58736	0.6
71.04959	0.5
79.05492	3.6
81.03413	0.5
81.07056	5.8
81.24306	0.4
83.04963	1.6
83.08607	0.6
85.06537	0.4
91.05465	2.7
92.64558	0.4
93.07025	2.7
95.04945	1.4
95.08607	4.2
97.10138	0.8
98.20757	0.8
103.05475	0.5
105.07021	1.7
107.04921	2.2
107.08572	2.4
109.06508	1.6
109.10157	7.3
110.10511	0.4
111.04397	0.5
111.08039	0.5
113.80503	0.4
115.05501	0.4
117.06983	0.9
119.08564	4.6
121.06479	1.2
121.10141	1.3
122.07273	2.7
123.11703	6.8
125.09626	0.7
129.06967	0.5
131.08548	1.1
133.06488	0.5
133.10103	0.6
135.08049	0.8
135.11731	0.5
135.86200	0.4
137.05875	0.4
137.09608	14.3
139.07523	0.5
143.08563	0.4
145.10062	0.8
147.08032	0.6
149.09665	1.1
155.10628	1.1
159.11647	0.7
163.07523	0.5
163.11208	0.4
164.70969	0.4
165.09106	100.0
166.09436	1.8
173.11725	0.5
177.00529	0.5
189.12775	0.4
199.02147	0.8
201.11273	1.7
227.12714	0.5
232.72737	0.5
242.90321	0.4
293.24686	0.5
299.19778	1.3
315.19263	1.5
333.19098	1.2
349.29028	0.4
367.22604	0.7
385.23764	0.8
459.27032	1.2
473.21530	0.8
491.22336	3.7
491.29922	3.0
492.21609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1181
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.00401	0.3
53.03746	0.3
53.03946	3.7
55.01865	0.7
55.05487	1.1
55.56979	0.4
57.03430	2.3
61.02930	1.0
64.85446	0.4
67.05492	1.5
68.99774	0.8
69.03088	0.5
69.03432	8.5
69.07053	0.9
70.06585	0.6
70.89462	1.4
71.04971	1.6
72.08163	0.5
73.02894	0.9
73.45966	0.4
74.61755	0.4
77.56170	0.3
79.05478	1.5
81.03419	10.7
81.07066	2.3
83.04982	0.8
85.02904	7.3
86.03135	0.4
86.09702	1.0
87.00822	0.4
89.03329	0.4
91.05464	1.6
93.07065	1.9
95.04967	1.1
95.08592	1.9
97.02888	5.6
97.06516	0.9
97.10198	0.6
99.04440	2.8
103.03909	0.5
103.05456	0.5
105.03372	0.6
105.07020	1.2
107.04967	1.1
107.08582	1.3
109.02869	7.8
109.06510	0.8
109.10136	2.2
111.00816	0.6
111.04459	0.5
111.08035	0.4
117.07027	0.5
119.08553	1.6
121.02869	2.8
121.10133	1.0
123.04424	0.7
123.08096	0.8
123.11660	0.9
127.03909	6.6
131.08548	0.4
133.02855	1.0
133.10155	0.7
135.08142	0.5
135.11685	1.1
137.02336	0.9
137.06000	0.8
137.09610	0.9
139.11150	0.4
145.04955	1.2
145.06479	0.8
145.10123	0.8
147.04414	0.9
147.11661	1.1
149.09608	0.6
149.13193	0.5
151.07504	1.7
153.01840	4.7
157.06461	0.5
159.11694	0.6
161.05968	0.6
161.09610	0.4
163.03888	0.4
163.07533	0.9
165.01846	1.9
165.09177	2.1
165.12752	1.3
166.13080	1.0
167.07057	1.4
169.06424	0.5
173.05992	0.5
177.09204	0.4
181.05017	0.8
183.02904	1.1
185.05911	0.4
187.06021	5.8
193.04939	0.5
196.66049	0.4
203.06960	0.5
207.13786	0.6
213.05421	1.2
223.09641	0.6
223.17146	0.4
231.06613	0.9
241.04886	1.3
248.29536	0.4
252.58119	0.4
258.05182	0.8
278.24768	0.6
287.05493	100.0
288.05759	2.3
299.12839	0.8
311.12662	0.9
329.13876	0.8
490.33472	0.5
491.16211	0.5
491.30176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11652	1.4
51.42110	1.3
53.03935	5.6
55.01862	6.2
55.05516	9.5
57.03415	2.9
57.07074	1.8
59.05000	26.4
61.02923	2.5
67.05505	22.4
68.05843	2.6
68.99805	2.0
69.03089	2.1
69.03427	17.2
69.07068	10.4
70.07394	1.7
70.59363	4.5
71.04975	6.2
73.02912	2.1
75.92790	1.3
78.60744	1.7
79.05490	5.7
81.03423	15.9
81.07057	15.9
82.07391	3.4
83.04984	19.3
83.08600	2.4
85.02903	36.2
85.06518	8.2
86.06042	1.5
87.00834	12.2
91.05472	13.0
93.07040	20.2
94.07378	1.7
95.04972	13.5
95.08601	43.0
96.08916	5.6
97.02887	13.4
97.06514	7.0
97.10157	7.8
99.04450	6.5
101.05999	11.7
105.01869	11.2
105.07036	15.1
105.97828	1.7
107.04942	2.4
107.08580	19.0
108.04468	1.9
109.02901	8.8
109.06554	7.5
109.10153	17.2
110.10501	4.4
111.08097	2.7
113.05992	13.7
116.10719	1.8
117.07015	4.1
119.08578	23.5
120.08913	2.2
121.06495	5.8
121.10153	15.3
123.04445	3.0
123.08073	15.4
123.11721	5.0
125.05977	5.3
127.03905	21.1
127.07554	3.7
129.01849	3.1
129.05490	8.2
131.08553	2.4
133.06520	2.3
133.10136	9.3
135.08017	5.3
135.11676	3.9
137.05986	3.6
137.09583	15.5
137.13185	1.6
138.09901	5.5
139.07515	8.8
139.11176	2.4
141.09093	4.6
142.09457	2.0
145.04965	6.3
145.06517	1.5
145.10109	4.0
147.08046	2.4
147.11685	31.1
149.09621	5.8
149.13289	4.6
151.07578	6.1
151.11145	2.8
153.09068	4.1
154.05017	2.3
159.02887	4.2
159.08041	2.4
159.11716	2.4
161.05945	1.4
161.09622	5.2
161.13251	5.0
163.07553	3.4
163.11130	4.4
165.09113	100.0
165.12740	3.5
166.09448	47.9
167.07030	1.5
175.11134	2.8
177.12746	2.4
179.10652	7.9
179.14299	2.9
181.12257	10.2
187.07530	2.2
187.09628	3.9
189.09081	2.3
189.12701	4.3
189.16510	2.4
191.10571	2.0
193.12241	4.3
203.10620	3.9
203.17911	1.8
205.12195	9.9
206.09950	1.8
206.12576	4.2
207.13850	13.2
207.17407	7.5
208.99631	1.5
209.11823	1.8
213.09068	1.7
219.13858	3.3
223.13257	2.5
224.10980	3.9
225.12860	1.3
225.14832	38.0
225.16925	2.9
229.12283	2.9
231.04913	2.4
231.13741	1.8
235.13264	3.9
247.13304	2.2
257.04504	2.2
261.14896	2.6
271.13342	3.7
289.14371	5.3
307.15515	2.9
328.24716	2.4
393.15366	3.0
428.91367	1.8
437.18204	2.0
490.16174	2.4
490.29733	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34181	0.7
64.45793	0.6
69.37690	1.7
69.38085	6.0
70.06590	0.7
79.05493	0.8
84.08148	1.1
84.59605	0.6
85.02892	1.3
91.05444	1.0
93.07036	1.1
96.20055	0.9
97.78453	0.7
103.05466	7.7
107.04968	2.0
118.23332	0.6
120.08105	100.0
121.08434	1.3
125.68136	0.7
127.03915	0.8
131.04938	1.7
135.46223	0.8
149.05968	1.2
163.03931	2.9
166.08644	48.0
176.72401	0.7
196.09549	0.8
300.74698	0.7
347.59137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
53.99968	2.6
55.01864	4.0
55.05487	7.8
57.03423	3.3
61.02926	3.8
67.05487	9.6
67.37643	2.9
68.99782	3.4
69.03407	12.2
69.07065	5.3
69.48009	21.9
70.06570	4.7
71.04971	3.2
77.23567	2.8
79.05484	5.2
81.03423	13.9
81.07065	13.8
83.04957	6.5
83.08624	2.6
84.22623	2.4
85.02898	48.4
85.06518	3.1
87.00812	10.8
88.75729	2.4
90.05416	2.7
91.05460	8.9
93.07037	8.5
95.04945	5.1
95.08589	12.1
97.02881	15.9
97.06511	5.7
98.20877	5.1
99.04468	6.4
105.01853	11.7
105.03374	8.7
105.07003	10.5
107.04948	3.1
107.08583	12.2
109.02879	14.0
109.06519	15.2
109.10127	10.7
110.03166	3.1
111.08092	4.6
119.08560	10.2
121.10130	16.1
123.08057	43.0
123.11717	18.6
125.06000	3.3
125.09576	3.8
127.03891	29.3
133.10143	7.1
137.05972	4.4
137.09624	27.0
137.13307	4.0
145.04961	7.7
147.02814	3.1
147.08099	4.1
147.11694	19.2
149.09608	9.3
161.13235	7.0
161.42123	3.0
163.11208	3.4
165.09090	5.3
165.12741	100.0
171.11740	2.8
179.14314	11.8
181.12151	4.1
189.12735	15.1
207.13797	48.8
224.10612	5.3
225.14819	10.4
231.04941	8.4
242.17938	2.9
286.16635	3.2
310.23819	6.5
328.24796	5.9
331.34897	3.0
490.17783	3.7
490.30008	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	19.5
57.03424	7.1
67.05502	71.7
69.07049	19.8
69.33283	4.8
70.12319	19.0
79.05489	27.3
81.07057	45.1
83.04951	6.5
83.08614	13.2
91.05476	27.9
93.07038	47.5
95.04940	6.6
95.08599	33.6
101.23480	4.2
105.07026	28.2
105.61463	4.7
107.08601	29.5
109.10155	40.0
111.08099	4.9
116.68198	4.6
117.06992	8.9
119.08579	31.5
121.10155	20.6
129.06993	6.3
131.08530	20.3
133.10152	21.3
135.11661	17.7
137.09583	4.3
143.08598	6.3
145.10106	20.3
147.11658	16.9
149.13245	4.7
157.10121	7.7
159.11688	17.0
161.13229	8.9
161.80634	3.9
169.10213	5.9
169.11815	4.5
171.11674	5.6
173.11821	7.4
173.13220	14.5
175.11295	5.4
185.13208	5.7
187.14885	8.1
201.16405	5.6
211.15057	4.9
232.26027	4.1
261.22174	7.6
263.78320	4.1
267.72647	4.1
379.29901	12.4
397.31088	23.5
471.34448	15.2
489.36169	100.0
490.35980	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
52.61192	2.4
53.03947	4.1
55.05511	25.5
57.03432	5.0
57.07063	4.0
59.04997	2.4
65.03935	3.1
67.05503	77.2
69.07072	16.6
71.05000	5.6
71.37170	2.2
76.09319	2.2
79.05490	34.5
79.05910	3.1
81.07057	48.0
83.08634	8.4
85.06555	5.3
89.35522	2.2
91.05488	28.7
93.07039	39.8
95.04998	8.6
95.08604	32.3
97.06544	3.8
97.10192	6.6
98.20684	3.7
101.73424	2.1
105.07028	32.8
107.08597	20.3
109.06562	3.1
109.10159	48.0
111.08155	3.0
117.06973	12.4
119.08577	34.8
121.10158	20.7
129.07039	7.9
131.08575	23.8
133.10121	22.6
135.11671	11.2
137.09592	2.9
139.11208	3.6
141.07037	3.2
143.08580	7.7
145.10129	21.0
147.11703	14.7
149.09711	3.3
149.13275	6.6
155.08603	3.1
157.10173	6.8
159.11674	14.0
161.13289	8.6
169.10126	3.2
171.11742	7.5
173.11784	11.4
173.13298	9.6
175.14908	6.0
177.12750	3.0
183.11682	4.7
185.13286	5.3
187.14856	3.8
197.13225	2.5
213.14732	5.0
241.19649	3.0
261.22250	4.4
363.25607	2.7
371.75482	2.5
373.18704	2.4
377.26883	3.8
379.29974	11.3
391.28397	6.6
397.31000	20.7
415.32321	5.0
443.35242	3.3
471.35052	17.8
489.35898	100.0
490.35956	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.98095	2.0
53.03950	4.0
53.99858	2.1
55.05510	20.7
57.03419	4.3
59.05031	1.9
62.75057	2.2
64.69868	2.2
65.03934	2.1
67.05502	75.3
69.07071	16.7
71.04989	2.9
74.93862	2.3
76.79853	2.1
78.93950	1.9
79.05490	33.6
79.23807	2.2
81.07050	52.8
83.04981	2.9
83.08607	13.3
85.99737	1.9
91.05470	29.3
93.07041	37.7
95.05025	2.8
95.08604	37.0
97.06509	2.6
97.10188	5.5
105.07033	27.4
107.08611	21.7
109.06533	3.1
109.10151	48.0
111.08123	3.1
117.07006	12.4
119.08585	35.8
121.10116	19.5
123.08110	2.5
123.11699	6.1
129.07016	4.1
131.08580	23.6
133.10135	19.0
135.11671	13.1
137.09648	2.7
141.07001	4.0
143.08624	7.8
145.10127	24.9
147.11658	14.7
149.13297	7.4
155.08618	3.4
157.10143	11.1
159.11688	13.5
161.13303	9.7
169.10152	3.7
171.11774	9.8
173.11795	9.7
173.13333	8.8
175.14886	5.8
182.83725	2.5
183.11697	4.9
185.13293	8.3
187.14920	7.7
188.46156	2.4
197.13332	5.9
199.14891	5.0
201.16399	3.8
231.17572	3.1
232.95285	2.1
261.18182	2.3
261.22266	6.0
276.06155	2.2
285.22321	2.4
315.23611	2.3
363.25589	2.9
369.31497	2.8
379.29843	11.2
397.30966	17.8
411.32751	2.6
415.32385	6.3
453.34235	2.4
471.34811	13.1
489.35962	100.0
490.36166	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
54.33918	0.6
55.01865	1.4
55.05485	1.5
56.30916	0.7
61.02919	1.2
62.56835	0.6
67.05488	2.7
68.99781	7.3
69.03407	2.8
69.07053	2.9
71.18811	1.2
71.19147	0.7
77.03913	0.9
77.50427	0.7
79.05486	5.5
81.03408	2.0
81.07050	11.2
83.05043	0.7
83.08584	1.6
85.02907	5.4
86.09718	0.8
91.05477	4.3
93.07035	3.7
95.04941	2.6
95.08606	2.4
97.02871	1.6
97.06514	1.4
103.05448	3.5
105.07024	2.8
107.04947	7.5
107.08591	1.4
108.05271	1.4
109.02824	1.3
109.06480	1.5
109.10143	2.1
117.06911	0.7
119.08585	2.1
121.06506	11.2
121.10126	1.5
123.04433	5.5
123.08086	0.7
123.11717	0.7
127.03944	1.6
131.04915	1.1
131.08565	1.4
133.06462	1.2
133.10100	0.9
135.04407	58.2
137.05948	2.7
137.09602	1.2
143.08470	0.9
147.04346	1.1
149.05969	82.9
150.06291	1.1
159.04517	0.6
161.05977	7.7
161.09679	0.7
163.07561	0.9
165.09091	6.8
173.05956	1.3
175.07501	0.8
177.99809	0.6
184.07321	0.9
189.08989	0.8
191.10655	100.0
192.11026	1.8
203.06987	0.8
217.12248	6.3
233.05444	0.7
243.06465	1.0
271.09622	2.9
327.12369	1.0
327.15894	11.0
407.02722	0.7
407.76880	0.7
459.49045	0.7
489.11496	1.1
489.28598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05506	13.1
57.03437	15.6
57.07075	2.9
65.03931	2.9
67.05506	62.0
69.07077	14.2
69.87690	13.4
79.05490	41.6
81.07052	74.5
83.04967	2.0
83.08616	9.7
85.70950	2.0
85.83508	1.9
91.05466	25.6
93.07039	60.9
93.48753	2.3
95.04959	4.1
95.07988	2.5
95.08601	50.9
97.06532	4.7
97.10116	3.0
98.19830	2.4
98.98464	90.0
105.07021	24.1
107.08598	40.7
109.10140	23.6
116.99539	3.4
117.07016	8.6
119.08601	19.9
121.10135	29.0
123.08060	3.0
123.11724	10.3
131.08560	17.6
133.10106	18.2
135.11697	22.1
137.00002	6.9
137.13263	3.3
140.01103	2.5
145.10120	11.0
147.11681	11.3
149.09581	4.0
149.13248	13.1
155.01033	78.5
159.11702	11.3
161.13226	12.7
163.14882	11.3
164.32011	2.4
173.13263	9.8
175.14798	5.7
177.16441	2.7
187.14810	6.5
198.75146	2.0
199.14680	2.3
211.03625	7.0
213.31413	2.4
229.04726	6.7
243.21124	19.3
261.22168	37.2
277.21448	2.8
298.65524	2.2
308.69156	2.9
317.24667	17.1
331.77808	2.3
335.25812	100.0
336.26010	4.9
415.22400	4.1
471.24704	12.0
489.32068	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79860	0.3
53.03933	0.4
55.01859	0.2
55.05519	1.2
57.03434	0.4
57.70499	0.3
62.23245	0.2
65.03934	0.3
67.05502	6.1
69.03413	0.9
69.07052	1.0
69.41190	2.5
71.04985	0.5
75.51930	0.2
79.05481	1.2
81.03394	0.3
81.06589	0.4
81.07052	6.5
83.04969	0.8
83.08604	0.7
85.02885	0.7
85.06529	0.8
85.94048	0.3
91.05473	1.6
93.07039	3.6
95.04964	0.7
95.08600	8.4
97.06512	0.4
97.10152	0.3
99.04430	0.7
105.07011	1.2
107.04937	0.7
107.08598	1.8
109.06482	0.8
109.10150	9.3
111.08076	0.5
113.05957	0.5
113.09615	0.4
115.05495	0.3
117.06974	0.4
119.08562	4.2
119.75821	0.2
121.10144	1.5
122.07293	2.3
123.08033	0.9
123.11714	3.7
125.09592	0.3
127.03960	0.3
129.05460	0.4
129.09097	0.5
131.08533	0.4
131.44746	0.2
133.10123	1.3
133.68855	0.3
135.08075	0.6
135.11678	0.6
136.08723	0.2
137.09613	14.1
137.13173	0.4
139.07549	0.3
139.11156	0.4
141.09096	1.0
145.10121	0.4
147.08002	0.6
147.11670	0.8
149.09631	3.0
149.13268	0.4
151.07523	1.1
151.11163	0.8
153.09116	0.8
155.10640	0.7
157.08704	0.5
157.10048	0.4
159.11729	0.5
161.09535	0.5
161.13188	0.4
163.14735	0.4
165.09100	100.0
166.09471	1.3
169.08636	0.3
169.12230	0.4
173.09554	0.5
173.13177	0.5
175.11154	0.9
177.09116	1.1
177.12679	0.3
179.10652	0.6
181.08588	0.3
183.10214	0.3
186.10315	0.3
187.09651	0.6
187.11137	0.5
187.13275	1.1
187.14825	0.4
189.09091	1.1
189.12758	0.9
190.09860	0.3
191.10638	0.5
193.15918	0.3
199.17018	0.3
201.11224	0.6
203.10658	4.5
203.14378	0.3
203.17923	0.9
205.12224	4.2
207.00630	0.3
207.10193	0.5
215.10623	0.3
217.12285	0.3
221.18987	0.8
223.13310	0.6
229.12239	0.7
245.15340	0.8
255.20955	0.4
267.23343	0.3
279.23358	0.6
291.23108	0.4
314.28821	0.3
325.23621	0.9
337.23770	1.3
425.30331	0.8
430.95581	0.3
443.31491	1.3
471.30783	0.7
489.32013	0.7
501.24475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01876	9.7
55.05513	2.2
57.03423	6.4
57.07076	1.9
61.02919	8.7
65.03928	1.6
67.05493	1.9
68.99790	2.0
69.03427	37.6
69.07065	1.6
69.94360	2.2
69.94775	4.6
71.04977	4.9
73.02901	8.0
81.03413	28.6
81.07036	3.0
85.02900	97.2
85.06540	2.8
86.06059	1.8
87.00824	39.0
87.04470	2.1
91.03934	1.9
91.05488	1.9
91.38734	1.4
93.07032	1.6
95.04957	1.2
95.08606	1.3
97.02887	72.1
97.06536	1.7
99.04442	16.4
105.01856	77.6
107.04931	4.2
109.02865	31.4
109.06508	2.6
111.04418	3.1
112.27959	1.1
115.03895	2.6
116.10719	4.0
117.01839	4.1
119.08566	2.4
121.02845	12.6
127.03909	100.0
129.01854	4.9
139.03920	9.0
145.04950	59.3
147.02850	3.4
149.02335	18.1
153.58832	1.3
156.03651	1.5
159.02879	22.6
165.09108	2.7
169.64696	1.3
189.03922	2.9
193.08611	2.7
201.03978	1.4
205.08655	2.0
211.09673	3.5
213.03932	5.3
223.09726	2.8
231.04993	23.9
249.06056	5.0
252.52538	1.2
315.10544	2.3
326.14902	1.6
326.23315	7.1
328.20160	1.2
488.28116	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01867	0.9
57.03433	2.6
60.04264	0.5
60.04525	4.8
61.02924	11.0
68.05022	3.3
69.03426	13.5
70.00712	1.4
70.01122	1.0
71.04988	1.3
73.02911	4.1
79.28012	0.5
80.05015	6.7
81.03414	3.5
82.06577	5.0
85.02901	35.5
86.06047	1.0
87.04460	1.2
90.05527	0.4
90.73335	0.4
91.03409	0.7
91.03947	10.2
97.02885	13.6
98.06047	0.9
99.04448	1.9
100.07600	1.3
101.02349	0.5
102.05533	1.4
103.03919	0.5
104.03285	0.4
109.02853	2.8
110.06049	6.8
115.03897	1.1
127.03908	9.1
128.07066	6.1
145.04945	10.3
146.08110	17.0
157.24020	0.5
162.59743	0.4
163.06036	2.9
164.09178	100.0
165.09502	1.2
185.97198	0.5
188.09082	0.5
206.10168	0.9
290.12408	1.2
308.13287	1.1
326.14447	9.1
392.98325	0.5
398.64709	0.4
432.92294	0.5
442.99631	0.5
488.19684	9.1
488.26532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
54.33918	0.6
55.01865	1.4
55.05485	1.5
56.30916	0.7
61.02919	1.2
62.56835	0.6
67.05488	2.7
68.99781	7.3
69.03407	2.8
69.07053	2.9
71.18811	1.2
71.19147	0.7
77.03913	0.9
77.50427	0.7
79.05486	5.5
81.03408	2.0
81.07050	11.2
83.05043	0.7
83.08584	1.6
85.02907	5.4
86.09718	0.8
91.05477	4.3
93.07035	3.7
95.04941	2.6
95.08606	2.4
97.02871	1.6
97.06514	1.4
103.05448	3.5
105.07024	2.8
107.04947	7.5
107.08591	1.4
108.05271	1.4
109.02824	1.3
109.06480	1.5
109.10143	2.1
117.06911	0.7
119.08585	2.1
121.06506	11.2
121.10126	1.5
123.04433	5.5
123.08086	0.7
123.11717	0.7
127.03944	1.6
131.04915	1.1
131.08565	1.4
133.06462	1.2
133.10100	0.9
135.04407	58.2
137.05948	2.7
137.09602	1.2
143.08470	0.9
147.04346	1.1
149.05969	82.9
150.06291	1.1
159.04517	0.6
161.05977	7.7
161.09679	0.7
163.07561	0.9
165.09091	6.8
173.05956	1.3
175.07501	0.8
177.99809	0.6
184.07321	0.9
189.08989	0.8
191.10655	100.0
192.11026	1.8
203.06987	0.8
217.12248	6.3
233.05444	0.7
243.06465	1.0
271.09622	2.9
327.12369	1.0
327.15894	11.0
407.02722	0.7
407.76880	0.7
459.49045	0.7
489.11496	1.1
489.28598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
55.01870	6.7
55.05510	31.7
57.03388	4.5
57.07074	4.9
57.11845	4.8
67.05497	38.5
69.07072	34.5
69.73075	4.1
69.73416	33.6
71.04995	6.4
78.76073	4.3
79.05490	31.4
81.07045	48.3
83.05000	7.0
83.08620	8.2
87.04459	9.9
89.74818	4.7
91.05472	18.6
93.07054	35.6
95.04961	7.7
95.08613	28.5
97.06519	13.4
97.10187	12.8
105.07026	33.7
107.08598	16.1
109.10143	10.7
117.07021	17.3
119.08561	17.9
121.10136	29.1
129.07027	19.5
131.08578	20.0
133.10124	12.5
135.08040	5.7
135.11684	6.8
139.11189	24.9
141.06938	6.8
143.08551	15.8
145.10133	18.7
147.08131	5.5
147.11737	7.6
155.08582	7.3
157.10101	14.8
159.08084	6.3
159.11743	18.3
167.08627	5.9
169.10129	10.0
171.11700	11.4
173.13290	8.1
180.84691	4.9
181.10175	6.4
183.11702	8.9
185.13309	7.6
195.11656	6.9
199.14934	6.5
203.12810	13.1
275.19949	7.2
285.21902	25.0
287.20093	18.1
309.31390	5.3
406.10107	5.6
433.30865	13.9
451.32022	43.3
469.33115	57.5
470.33453	5.7
487.27667	13.7
487.34952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	Cheiranthic acid
Peak:m/z	Relative Intensity
53.03941	7.7
55.01864	16.9
55.05508	51.2
57.03434	5.1
57.07082	3.3
57.65142	2.3
65.03939	5.8
67.05502	95.8
69.03430	10.3
69.07067	42.2
71.04979	6.5
71.09997	6.6
79.05489	57.7
81.03426	7.6
81.07053	85.9
83.04981	10.6
83.08616	25.8
85.02916	4.8
85.06550	6.7
91.05474	61.7
93.07042	46.3
94.46284	2.3
95.04955	18.9
95.08605	50.2
97.06512	15.5
97.10196	16.8
105.06319	4.1
105.07020	61.2
107.04945	41.6
107.08575	33.3
109.06522	12.7
109.10151	27.7
111.08109	4.1
115.05476	4.4
117.06995	26.1
119.08577	41.8
121.06509	14.8
121.10139	21.1
123.08108	6.0
123.11721	12.1
125.09647	10.7
127.03905	2.7
128.06236	4.9
129.07005	22.2
131.08557	43.6
133.06508	10.6
133.10123	29.6
135.08041	6.0
135.11697	16.1
137.09618	7.4
141.07013	9.3
142.07811	3.8
143.08551	28.2
145.06467	11.3
145.10100	37.1
147.04362	3.6
147.08060	11.9
147.11671	20.2
149.09615	18.3
151.11166	7.5
153.09166	2.9
154.07802	4.3
155.08513	13.2
157.10123	29.6
159.08080	9.8
159.11679	23.9
161.09666	7.2
161.13284	7.1
163.11214	7.2
165.09100	3.6
165.12784	3.6
167.08559	4.3
168.02397	3.0
169.10103	18.4
171.08035	5.7
171.11688	19.6
173.09621	4.3
173.13277	10.7
175.11137	12.7
175.14845	3.6
177.09180	2.8
177.12833	5.9
179.08658	3.3
181.10168	8.8
183.01091	3.1
183.11739	11.4
185.09708	4.0
185.13208	17.4
187.11145	6.3
187.14854	5.9
189.09109	6.0
189.11200	3.6
191.14250	3.7
193.10100	4.1
195.08179	3.2
195.11702	8.1
197.13280	11.7
199.11212	7.1
199.14816	4.7
201.12810	5.6
209.13283	7.6
211.11290	2.8
211.14877	4.1
213.12741	4.2
215.14227	3.1
219.10231	8.8
221.13193	3.3
223.13129	3.7
225.16365	4.5
229.16068	3.4
233.15448	3.7
237.12871	2.9
237.16541	3.3
239.88316	3.0
247.16945	3.4
261.18420	3.3
271.17081	3.3
275.20129	5.3
279.59796	3.8
287.19901	3.6
288.47897	2.5
299.20309	4.4
299.24011	3.7
301.21591	20.0
313.21631	4.5
315.23236	7.9
321.22153	4.8
325.14407	14.7
325.21780	4.5
327.23309	3.1
331.22787	4.9
339.23276	4.6
349.24847	3.3
355.26370	4.1
375.25552	3.7
415.29922	6.2
417.26505	6.7
423.32394	6.2
433.31061	20.5
451.32101	48.1
459.35312	3.7
469.33157	74.7
470.33450	4.1
487.34271	100.0
488.34702	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2146
Annotation	3-Deamino-3-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.74239	0.5
54.27203	0.5
56.54391	0.4
61.92218	0.4
65.89751	0.5
67.05504	0.9
69.03433	0.9
69.36029	0.7
69.36434	4.1
70.06586	1.5
81.03436	0.6
81.07045	0.9
81.25413	0.5
85.02903	1.3
85.99364	0.4
86.09689	1.3
91.05477	0.6
92.38615	0.5
95.04993	0.5
95.08596	0.8
95.16149	0.5
96.02370	0.5
97.02898	0.5
98.20782	1.1
105.06983	0.6
107.04983	0.7
107.08618	0.9
109.02917	0.8
119.08582	0.6
124.16393	0.4
126.85068	0.5
127.03969	0.8
133.10136	0.5
147.04399	0.6
237.09132	0.8
239.08183	1.4
251.10783	0.7
265.08490	3.0
307.09726	2.8
325.10718	0.8
325.16214	1.9
325.22247	0.6
326.06741	1.9
338.15421	0.5
361.02341	0.6
362.81253	0.6
408.29675	0.6
469.14832	3.1
470.14511	0.7
487.07272	2.7
487.21475	100.0
488.21899	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98615	0.5
55.05501	0.6
56.34661	0.5
56.40674	0.5
67.05520	0.6
69.03439	0.6
69.07066	1.5
71.04992	0.7
71.58833	0.8
72.07966	0.5
79.05484	1.8
81.07039	1.6
85.02903	0.8
91.05470	0.8
93.07035	1.1
95.08597	1.1
97.06509	0.7
105.07035	1.0
119.08529	0.6
120.35866	0.5
121.10128	0.6
166.54582	0.5
239.16246	1.1
245.06184	0.5
271.04086	0.6
276.20535	0.6
301.23209	0.5
313.16183	1.6
337.16513	0.5
355.17264	5.0
399.16287	4.2
401.21509	4.7
443.22519	22.4
444.22931	0.6
487.21497	100.0
488.21869	3.8
496.59457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
55.05503	1.1
57.03419	0.5
67.05487	0.5
69.03405	1.8
69.07053	0.6
69.61310	0.5
70.06570	1.9
70.87086	1.5
79.05480	1.1
81.03415	0.9
81.07030	1.9
83.04954	0.9
85.02911	2.7
86.09693	2.0
91.05471	0.9
91.91012	0.6
93.07027	1.0
95.04955	0.9
95.08585	0.5
97.02873	1.5
105.06998	0.9
107.04940	1.2
107.08562	1.0
109.06493	1.1
109.10173	0.7
111.04456	0.6
117.05523	0.6
119.08546	1.0
121.06532	0.6
121.10123	0.8
123.08042	0.6
125.05913	0.5
127.07514	0.6
129.07104	0.5
131.04915	1.7
131.08563	0.8
133.10159	0.8
135.08040	0.8
137.05928	0.9
141.62065	0.5
145.10095	0.7
147.07996	0.9
149.02347	0.6
153.05371	0.7
167.03441	0.9
171.06598	1.0
171.08069	0.5
199.18039	0.6
229.15633	0.5
253.08574	0.7
259.07779	0.9
289.18021	0.6
307.13235	6.9
313.06915	0.6
325.16254	1.4
325.19739	1.1
337.14279	0.5
427.15918	0.6
487.21371	100.0
488.21832	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44316	1.1
55.01874	1.2
55.05507	1.9
56.96560	1.6
58.25776	1.0
64.51730	1.2
67.05506	2.5
69.03432	1.8
69.07069	2.7
71.58408	1.5
79.05490	2.5
81.03407	1.2
81.07055	4.9
85.02898	1.6
91.05494	2.7
93.07051	2.6
95.04955	1.5
95.08627	3.2
97.06551	1.5
105.07060	1.9
107.04922	2.0
107.08598	4.0
109.10149	2.4
117.06996	1.7
119.08549	3.3
119.31453	1.1
120.99011	1.3
123.04491	1.4
126.26974	1.1
131.08548	1.2
145.10110	2.2
159.11659	1.5
163.07465	1.5
165.09128	2.2
173.13414	1.3
205.10133	7.9
239.16272	1.5
313.16385	1.9
355.17349	4.4
399.16275	4.3
401.21460	5.4
427.25589	1.4
443.22534	27.7
444.22934	1.7
487.21573	100.0
488.21872	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1963
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03938	2.3
55.01862	2.3
55.05497	1.8
56.96558	0.9
57.03426	0.9
59.04999	0.7
60.59996	0.7
61.02925	1.1
65.25739	0.7
67.05506	5.2
67.49860	0.7
69.03430	5.4
69.07063	2.6
70.06557	1.4
70.71407	1.6
70.71734	1.4
71.04985	1.0
72.08168	0.9
73.02914	1.0
79.05491	4.7
81.03424	4.2
81.07042	4.8
83.04967	2.0
85.02907	13.0
85.06525	1.2
86.09690	3.0
87.00838	1.3
87.04438	0.9
91.05479	3.5
93.07032	3.9
95.04946	3.5
95.08585	4.3
97.02882	2.9
97.06519	1.1
99.04434	1.4
99.08080	1.1
103.05448	1.7
105.07024	6.5
107.04952	100.0
107.08588	2.1
109.02882	3.0
109.06526	2.0
109.10163	4.1
111.08118	0.7
115.05450	0.8
117.07005	1.7
119.04929	1.1
119.08564	3.2
121.06520	2.2
121.10139	2.8
123.04417	1.0
123.11684	1.0
127.03915	5.0
128.06200	1.0
129.07011	2.1
131.04910	3.0
131.08560	2.0
133.02835	1.0
133.06490	1.1
133.10092	2.3
135.04398	1.6
135.08081	1.3
135.11703	0.8
137.05989	1.9
137.09610	3.5
141.06987	1.1
145.04890	1.4
145.06499	1.7
145.10121	1.6
147.04427	4.3
147.05424	0.8
147.08029	5.3
149.06004	4.9
149.09610	2.2
151.07513	1.8
157.10086	1.5
159.11710	1.6
161.05975	3.6
161.09674	1.5
163.07539	24.1
165.04277	0.9
165.05498	4.9
165.06802	0.9
165.09119	21.6
167.03358	0.9
167.07034	0.8
171.07993	2.0
173.05977	1.4
173.09546	0.9
173.13232	0.9
175.07513	2.8
177.05496	1.9
177.09132	3.3
181.08578	2.7
187.07474	1.1
189.09093	25.5
189.10762	1.8
191.07014	1.4
199.07599	1.2
201.09084	2.9
203.07050	2.1
203.18143	0.8
204.07301	1.8
205.12193	1.7
215.10651	3.6
219.10153	31.9
221.15323	1.1
255.06479	4.4
269.07950	1.8
291.19504	2.8
293.08102	3.1
302.67310	0.8
307.13220	2.9
323.12613	1.5
324.12909	1.0
325.14313	55.1
326.11349	5.1
326.14804	1.7
355.75882	0.9
367.15280	2.5
456.77682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
53.18082	1.2
54.97215	1.2
55.01866	2.7
55.05494	4.1
57.03427	3.3
67.05499	8.8
69.03419	10.0
69.07062	2.7
71.04971	2.3
71.57874	1.8
73.02910	1.6
79.05490	3.9
81.03421	8.3
81.07049	8.8
83.04964	3.4
85.02908	15.4
85.06544	3.0
86.09706	2.4
87.00813	2.3
90.01981	1.5
91.05476	9.8
93.07037	7.1
95.04973	4.1
95.08615	8.8
97.02885	5.1
97.06559	2.1
99.04440	2.5
105.01806	1.8
105.07049	8.8
107.04956	6.0
107.08564	6.4
109.02883	4.4
109.06521	4.3
109.10164	9.1
111.08065	2.3
113.09531	1.5
115.05487	1.8
117.07052	1.8
119.04956	2.1
119.08577	10.0
121.06551	2.2
121.10146	4.8
122.07266	1.6
123.04437	4.3
123.08061	3.1
123.11688	3.0
127.03901	6.6
128.06285	1.9
129.06961	1.5
131.04967	2.4
131.08568	1.7
133.06508	1.6
133.10133	8.6
135.04382	2.4
135.08020	2.7
135.11687	3.8
137.05954	1.9
137.09631	9.8
138.26596	1.3
143.08585	4.1
145.04977	2.5
145.06459	3.8
145.10120	3.9
147.04420	16.6
147.08040	28.5
147.11693	2.2
149.05984	7.0
149.09605	2.5
149.13193	2.0
157.10132	1.8
159.08105	1.6
159.11671	4.0
161.06015	2.4
161.09608	7.5
163.03835	2.8
163.11220	2.2
165.09114	62.5
165.10521	3.3
171.08069	8.5
173.09564	2.2
175.11134	1.8
187.07532	1.5
189.09108	100.0
203.10643	2.1
203.14313	1.4
205.12256	4.0
215.10652	13.4
219.10152	1.7
221.15363	2.1
227.10661	2.6
231.10098	1.7
241.05359	1.7
255.06566	12.0
256.07242	3.3
269.08047	1.5
293.07971	2.7
307.13348	3.6
323.22342	1.9
325.10547	2.8
325.13986	13.3
351.14355	1.7
364.13208	1.7
487.22211	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1963
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03934	1.7
55.01863	1.5
55.05509	5.9
57.03434	1.1
61.02924	0.9
65.03947	0.7
66.59798	0.6
67.05508	7.6
69.03422	4.5
69.07066	5.7
71.04996	1.1
71.58437	0.9
79.05490	5.4
81.03419	3.0
81.07056	9.2
83.04971	1.6
83.08612	2.5
85.02905	4.0
85.06511	0.9
87.10152	0.6
91.05480	6.5
93.07037	6.7
95.04955	4.1
95.08601	9.3
97.02883	1.7
97.06544	1.1
97.10161	2.6
98.86296	0.6
99.08068	0.8
103.05499	0.7
105.07030	5.6
107.04950	100.0
107.08580	5.7
108.05255	0.9
109.02871	2.1
109.06515	1.6
109.10146	3.8
111.04431	1.0
111.08094	1.4
115.05569	0.6
117.07016	2.7
119.04949	1.1
119.08569	5.2
121.06493	1.9
121.10151	3.4
123.04374	1.6
123.08089	1.2
123.11713	2.2
125.09601	1.4
127.03929	2.3
128.06165	0.8
129.06999	2.5
131.04930	2.5
131.08545	4.6
133.10123	2.9
135.04408	1.5
135.08034	1.9
135.11676	2.4
137.05957	0.7
137.09575	1.0
137.13220	0.8
141.06950	1.4
143.08578	3.3
145.06511	1.2
145.10149	3.4
147.04422	3.3
147.08061	1.5
147.11673	2.8
149.05989	3.3
149.09596	2.2
149.13277	1.0
155.08549	1.2
157.10144	2.6
159.04384	0.7
159.08029	1.4
159.11710	2.0
161.05980	2.2
161.09714	0.8
161.13284	0.9
163.11162	1.2
165.05481	4.5
165.09138	2.1
169.10138	1.9
171.08119	0.8
171.11700	2.0
173.09644	1.4
173.13278	2.1
175.07602	0.9
177.05492	1.6
177.09120	2.7
183.11697	1.1
185.09691	0.7
185.13304	1.8
187.11166	0.6
189.09064	3.1
189.16472	0.8
191.07150	0.6
195.11839	0.9
197.13216	1.0
199.14882	0.8
201.09143	3.6
215.14317	0.6
219.10150	31.1
241.08636	0.9
261.87497	0.6
269.08051	4.0
275.07181	0.6
275.20004	1.5
299.23654	1.0
301.21533	1.4
307.13177	1.6
325.14319	48.7
326.14728	1.0
365.28439	1.2
383.29431	1.3
397.22641	1.1
433.30960	1.4
451.32068	2.5
469.33298	4.4
475.58255	0.7
484.47705	0.7
487.11734	0.7
487.35278	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01869	10.5
55.05496	6.2
56.34016	4.7
56.96585	5.0
57.03411	9.1
65.42443	5.0
67.05497	9.4
69.03430	34.5
69.22918	4.8
70.06584	19.3
71.05001	8.6
71.57944	8.0
79.05482	9.1
81.03415	26.8
81.07050	9.8
84.04500	8.5
84.08150	9.3
85.02914	41.9
86.09705	29.8
91.05488	13.2
93.07053	8.5
95.08614	9.4
97.02892	15.6
98.97538	6.5
99.04441	9.4
101.07116	6.4
105.07019	18.6
107.04920	7.0
107.08585	5.7
109.02899	9.2
109.06518	9.3
116.98634	5.8
119.04922	6.4
119.08586	6.1
121.06496	7.7
123.04442	6.8
123.59617	5.3
127.03912	15.0
131.08548	5.0
133.06444	8.0
135.04445	5.6
136.07556	10.0
137.02373	6.0
137.06039	5.9
145.04990	7.2
145.06631	6.6
147.04340	5.5
147.09096	9.3
149.09567	27.0
151.03928	5.4
151.07527	6.0
161.05978	8.2
163.03920	9.5
167.10652	10.4
171.00072	6.7
173.07166	10.1
177.00638	8.4
181.08557	7.6
184.07368	37.3
185.07646	11.2
191.08180	100.0
209.08031	16.6
237.02737	7.3
247.09547	9.1
257.04462	8.1
263.16443	6.1
281.00784	4.9
295.06155	7.6
297.11331	13.3
307.12888	25.0
317.74634	5.5
325.10611	37.9
325.13922	59.7
325.17517	5.4
487.17551	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05491	0.5
57.03437	2.7
59.04996	0.5
59.65886	0.4
61.02909	1.7
67.35291	0.4
69.03085	0.5
69.03427	7.5
70.06567	0.7
71.01340	0.8
71.04978	1.2
71.57213	0.8
73.02894	1.4
76.06155	0.4
81.03417	2.9
81.07076	0.4
83.04974	0.8
84.08127	1.0
85.02910	7.4
86.09716	2.0
87.04460	1.4
91.05476	0.5
93.07081	0.4
97.02888	3.3
98.97576	0.4
99.04456	2.0
102.90517	0.4
109.02840	0.9
110.18547	0.5
116.98619	0.4
118.06568	0.5
121.10092	0.4
127.03905	1.6
129.10210	0.7
132.06860	0.4
133.10205	0.4
136.07571	0.5
145.04974	0.5
145.06581	0.6
145.07593	2.7
146.08444	0.4
147.09163	54.8
148.09608	0.4
159.09161	2.0
163.03983	0.6
163.11154	0.9
173.07101	0.6
173.10788	0.6
187.08749	0.4
189.10205	0.6
191.08148	56.3
225.29161	0.4
246.14464	0.6
263.13901	1.7
281.14948	30.9
307.12933	6.6
325.13925	100.0
326.14188	2.2
341.30081	0.4
353.91971	0.5
443.20163	3.8
487.19281	2.9
487.25885	0.5
496.94034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0843
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
55.01852	1.3
55.05494	1.1
57.03418	1.1
61.02911	0.6
67.05494	1.5
69.03419	3.2
69.07063	1.0
70.06579	3.0
70.72171	2.3
73.02912	0.8
79.05474	0.9
81.03421	1.6
81.07038	1.9
83.04948	0.9
85.02910	6.1
85.06510	0.7
86.09691	2.1
91.05489	1.3
93.07020	1.5
95.04951	2.1
95.08588	1.5
97.02898	2.1
97.06558	1.2
99.04452	1.3
105.07037	1.9
107.08571	1.5
109.06521	0.7
109.10163	1.4
111.08004	0.8
113.06027	0.7
117.07026	1.1
119.08579	2.7
121.06483	0.9
121.10132	2.3
123.08071	1.5
124.07618	0.7
125.05937	1.0
127.03944	1.0
131.08556	1.1
133.10127	2.2
135.04253	0.6
135.11691	1.0
137.06018	2.1
142.07805	0.9
143.08537	1.4
145.10097	2.0
147.06538	1.0
157.10034	1.7
159.11674	0.9
171.06557	1.5
171.08025	1.1
173.13217	1.0
175.14859	0.8
185.04189	9.1
185.09662	0.8
185.13297	1.0
187.11116	0.8
187.14824	0.8
189.09096	0.9
211.14810	0.8
259.17065	0.8
271.16968	2.5
289.18094	1.4
303.05292	0.9
307.19122	1.3
324.02426	5.5
325.03156	17.7
427.87039	0.7
443.76736	0.7
487.08466	100.0
487.20615	4.0
488.08887	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31966	4.6
55.05506	9.4
56.02153	4.9
62.14766	5.3
67.05513	11.9
68.16433	4.9
69.03438	7.9
69.07050	11.0
69.23972	21.8
69.24393	39.3
73.83846	5.0
74.94868	5.3
79.05508	20.2
81.07047	30.6
85.02876	9.2
86.09753	5.5
91.05490	39.3
93.07047	18.1
95.04963	5.6
95.08627	14.0
97.02914	7.8
98.20780	8.5
105.07050	32.4
107.05001	8.1
107.08595	11.6
109.02832	5.6
109.10147	6.5
111.54358	4.7
117.06995	10.6
119.08572	23.5
121.10118	12.8
131.08592	13.5
133.10107	28.0
135.04375	12.7
145.10104	10.4
147.11691	14.5
157.10181	6.8
159.11583	5.6
161.05936	7.3
171.08005	7.2
191.10530	7.6
203.10622	12.5
269.08072	16.5
275.20050	100.0
325.14401	25.4
415.21365	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.1
55.01862	10.9
55.05510	30.6
56.96559	18.8
57.03428	4.8
67.05502	61.5
68.05828	5.4
69.03422	8.8
69.07065	35.0
71.04994	5.2
71.58584	6.9
79.05497	34.2
81.03403	13.2
81.07053	42.3
83.04970	12.4
83.08628	7.3
85.33714	4.7
91.05474	29.8
93.07045	59.1
95.01319	8.7
95.04961	11.2
95.08606	40.0
97.02843	5.6
97.06516	19.4
97.10175	12.9
105.07028	22.4
107.04955	13.7
107.08575	21.8
108.02637	6.0
109.02870	6.0
109.06525	16.8
109.10131	17.9
117.07031	9.3
119.08575	12.6
121.06528	5.0
121.10137	39.6
123.08082	6.4
123.11675	6.9
128.06230	5.2
129.07013	6.5
131.08543	19.8
133.10133	11.1
135.04378	5.3
135.08055	8.5
139.11176	34.9
141.01788	5.7
145.06493	6.4
145.10217	6.9
147.08102	6.3
147.11688	8.4
149.05898	7.4
149.09627	11.5
151.03929	5.9
151.07558	9.7
153.02269	5.3
157.10143	5.9
161.06096	5.1
167.03331	7.4
171.03316	9.0
175.07561	7.2
178.04723	4.9
187.07478	6.0
189.09088	5.4
193.08504	25.6
195.10211	8.0
203.10773	14.0
203.12784	41.6
205.08562	15.7
207.10222	5.7
213.09009	5.1
221.11737	14.6
231.10161	26.0
243.38545	4.8
249.11087	6.6
251.09224	10.8
251.58876	6.4
263.09619	9.1
267.12308	6.0
275.20065	11.9
281.10687	38.6
299.11734	38.7
303.19278	8.1
304.12109	10.2
304.51044	5.3
341.20999	7.3
345.20258	7.9
369.20715	8.9
377.15854	8.6
387.21701	51.8
397.20163	6.5
405.22672	77.9
415.21326	11.5
423.23636	26.9
433.22272	52.8
451.23322	100.0
486.31946	7.1
487.23221	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.9
55.01863	12.8
55.05503	29.2
56.48515	6.6
57.07022	5.8
64.02260	6.8
65.03910	8.0
67.05501	64.5
69.03403	9.9
69.07061	25.6
70.83525	12.7
71.05005	6.3
79.05495	56.5
81.03426	10.6
81.07053	47.9
83.05000	9.2
83.08609	17.8
85.02914	11.6
91.05466	76.2
93.07034	34.4
95.01328	11.2
95.04982	9.7
95.08601	34.2
97.06553	6.4
97.10184	12.6
105.07013	66.8
107.04957	11.3
107.08589	100.0
109.02866	8.3
109.06476	11.7
109.10146	44.4
116.06166	7.3
117.07018	23.7
119.08575	61.0
121.06477	11.6
121.10142	24.4
129.06995	16.6
131.04947	7.0
131.08557	39.3
133.06448	7.4
133.10126	35.3
135.11694	14.3
141.06973	12.6
143.08546	14.7
145.06586	9.7
145.10120	23.3
147.11661	34.8
149.09546	8.1
155.08592	8.1
157.10133	17.4
159.08081	17.6
159.11696	27.4
161.09552	9.3
169.10110	9.5
171.08113	8.7
171.11685	9.2
173.09647	17.0
173.11752	12.6
173.13188	6.7
185.09695	10.1
185.13277	6.7
187.07564	11.6
187.11142	6.2
189.09222	8.7
189.11205	15.0
199.11288	6.3
205.08557	24.3
210.00349	6.5
211.07500	6.8
217.29141	7.0
243.69582	6.5
257.19055	15.6
275.20078	74.7
292.35501	6.4
293.21085	8.1
297.18387	9.9
311.10629	7.1
315.19598	20.7
361.20328	7.0
369.20682	9.1
380.58234	7.2
397.20053	8.2
415.21280	14.7
433.22397	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01862	0.4
55.05509	0.4
65.03936	0.7
66.04715	0.4
69.03433	0.4
69.07052	0.4
70.64371	0.7
73.02916	0.3
79.05494	15.3
80.05824	0.2
81.03428	0.7
81.07056	100.0
82.07375	0.7
85.02920	1.1
87.00826	0.4
91.05469	0.3
93.07045	0.4
95.04964	0.7
95.08570	0.3
97.02883	0.4
99.77889	0.2
102.14612	0.2
105.07020	0.2
107.04968	0.4
108.04515	0.2
109.02879	0.2
120.79384	0.2
121.10162	0.2
123.04403	0.2
127.03941	0.8
140.05350	0.5
146.31262	0.2
147.04478	0.3
159.02974	0.3
162.06491	0.3
174.39845	0.2
203.07086	0.4
203.10701	1.4
204.07489	0.3
211.88721	0.3
220.11586	0.3
324.13116	0.4
456.32199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20883	3.7
55.01860	7.9
55.05498	11.4
56.96569	4.5
62.29856	3.7
65.91157	3.8
67.05502	34.3
69.03429	5.7
69.07078	29.8
71.04988	4.6
71.58124	7.1
79.05492	11.7
81.03434	6.8
81.07065	35.3
81.20200	4.0
81.82273	4.8
83.04968	7.5
83.08673	4.9
85.02892	6.2
86.31237	4.4
91.05473	13.1
93.07038	27.4
95.01338	6.5
95.04942	5.8
95.08601	22.8
97.06536	8.4
97.10162	11.6
101.71279	3.4
105.07016	16.4
107.08570	11.1
109.06508	5.6
109.10164	8.9
117.07008	7.1
119.08564	10.0
121.06503	6.8
121.10126	25.6
121.18651	3.9
123.04413	4.6
123.08117	4.3
129.07010	4.5
131.08585	9.6
131.37825	4.4
133.10088	8.0
137.09612	6.2
137.12144	4.0
139.11169	20.3
147.04451	5.6
149.09625	5.1
159.11546	5.0
165.05479	4.9
188.46167	4.6
203.10693	25.6
203.12624	9.6
205.08629	31.9
221.11694	28.3
260.11548	3.8
289.97678	4.3
305.88190	4.1
308.09351	5.0
328.05515	4.4
333.20715	7.0
334.41034	4.3
367.19080	6.1
369.20340	5.3
387.21664	100.0
405.22714	71.7
415.20975	6.1
423.23795	13.6
433.22437	6.0
435.90231	4.0
451.23218	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98209	1.6
55.05508	2.8
57.03428	6.1
57.06822	2.4
57.07072	28.7
58.00666	1.8
59.85283	1.6
64.05050	1.6
66.46824	1.5
67.05489	5.5
69.07048	4.2
71.08624	15.8
73.21934	1.6
81.07050	7.1
83.08611	5.0
84.91500	1.5
85.10188	7.9
95.08592	10.5
98.98453	21.5
109.10168	3.3
110.80102	1.8
155.01059	12.1
188.09264	2.0
196.41861	2.2
229.04872	2.9
239.23599	2.6
313.27356	100.0
345.04004	1.9
449.26660	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.1
53.23197	2.9
54.69669	3.7
55.01863	8.3
55.05508	16.2
57.03419	9.8
59.77351	3.4
67.05497	24.2
69.03420	26.7
69.07058	18.7
69.20235	2.9
70.15726	14.0
71.04990	16.1
73.02877	3.8
79.05504	25.5
81.03423	17.0
81.07053	84.4
83.04975	13.8
83.08592	7.1
85.02902	31.4
85.06535	7.3
87.00807	16.8
91.05465	23.2
93.07037	46.2
95.04956	13.3
95.08605	43.4
97.02870	15.5
97.06522	9.9
97.10170	6.3
98.20852	4.5
99.04430	4.3
99.08082	9.8
103.05456	3.0
105.01833	8.2
105.07023	66.5
107.04936	5.4
107.08586	36.0
109.02876	12.5
109.06500	14.6
109.10149	39.9
111.08070	6.8
115.03922	3.1
117.06979	5.9
117.35189	3.5
119.04907	6.6
119.08579	45.2
121.06532	8.7
121.09328	4.0
121.10140	43.9
123.04385	6.2
123.08050	10.6
123.11691	26.0
125.09615	21.7
127.03913	24.2
127.07536	10.5
127.11218	4.9
129.01831	3.8
129.06961	5.1
131.08549	20.6
133.06451	2.6
133.10129	61.8
135.08020	5.7
135.11656	14.6
137.09647	8.5
139.11192	3.1
142.07820	5.1
143.08528	4.3
143.10710	9.9
145.04907	5.1
145.10118	24.0
147.04408	8.9
147.08037	7.0
147.11691	37.1
149.02277	3.7
149.06146	3.5
149.09605	7.2
149.13248	8.0
151.07466	3.1
151.11186	5.9
157.10204	7.4
159.02888	4.4
159.07977	3.4
159.11684	22.2
161.02318	9.1
161.05994	9.0
161.09630	5.0
161.13225	12.1
163.03947	5.4
163.11156	6.7
163.14842	5.4
167.03413	5.5
167.10629	3.5
171.11688	6.2
173.06075	3.1
175.11214	6.7
175.14868	6.1
177.12648	3.5
185.57033	2.8
188.63124	3.8
191.10634	4.4
197.13138	4.1
201.16339	21.3
203.07016	100.0
203.17984	8.1
204.07446	3.6
219.17422	32.3
237.14737	4.1
237.18556	22.6
305.24619	4.9
323.12708	75.0
410.42892	3.1
468.82831	2.8
485.24634	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37249	2.7
53.03939	9.1
55.01846	3.3
55.05507	20.4
57.03426	5.9
57.07040	3.1
61.02909	5.5
63.57063	2.5
67.05487	12.6
68.99788	5.8
69.03431	26.1
69.07058	13.0
70.06568	2.8
71.04996	25.4
71.58035	4.2
74.22171	2.7
77.00308	3.2
79.05483	12.2
81.03426	21.6
81.07052	37.6
83.04982	23.0
83.08594	3.3
85.02910	41.9
87.00827	18.8
91.05493	16.0
93.07045	30.1
95.04993	6.1
95.08598	25.4
97.02900	14.1
97.06512	7.0
99.04436	5.9
99.08123	3.7
105.01862	8.9
105.07028	32.3
107.08583	25.2
109.02869	28.9
109.06535	4.7
109.10152	16.5
117.07027	5.7
119.08591	17.8
121.10144	41.6
123.08065	11.4
123.11700	16.6
127.03902	29.1
127.11176	3.8
129.01826	3.5
131.08585	15.0
133.10129	100.0
135.08031	4.0
135.11674	21.8
137.13185	3.7
139.11203	4.9
143.08539	4.1
145.04922	6.4
145.10089	17.9
147.02887	3.6
147.11707	18.7
149.09618	4.4
149.13272	9.8
151.11189	9.3
153.12738	17.2
159.11665	20.0
161.13283	5.9
163.03876	3.0
163.11195	7.2
173.13194	5.4
175.11232	3.5
187.07535	3.7
191.17989	15.4
201.16348	28.9
203.06949	6.7
203.10666	3.4
219.13881	4.6
219.17451	32.5
231.04929	4.5
237.14842	6.1
237.18480	30.0
310.95047	3.5
323.09305	3.8
323.12787	6.4
385.77646	3.4
389.02158	3.4
441.20956	4.1
485.19531	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01885	4.0
55.05502	15.3
55.62724	2.8
57.03420	8.0
57.07065	3.0
59.79792	3.1
65.03929	6.5
67.05503	23.0
69.03425	27.3
69.07059	18.6
71.04971	16.3
71.57589	4.2
73.02909	3.2
73.06541	3.5
73.24372	2.7
76.28848	2.9
79.05475	22.8
80.46833	3.2
81.03409	26.5
81.07046	100.0
83.04958	8.7
83.08598	7.0
85.02898	33.2
85.06521	4.5
86.09673	2.9
87.00814	10.5
91.05478	31.4
93.07039	35.9
95.04938	10.4
95.08591	34.3
97.02893	16.6
97.06495	15.6
97.10153	6.9
99.04437	11.0
99.08081	51.7
105.01855	8.5
105.07022	62.2
107.08584	41.2
109.02876	22.3
109.06487	11.1
109.10146	38.7
111.08057	4.4
115.03922	6.6
117.07011	7.4
119.08574	41.2
121.02856	88.8
121.06464	4.9
121.10141	28.4
123.04426	5.4
123.08098	7.9
123.11711	19.2
125.09626	27.6
127.03909	32.2
127.07531	10.4
127.11213	7.0
128.06227	3.4
129.06911	3.6
131.08548	14.0
133.10135	47.6
135.08035	4.4
135.11661	13.5
137.05995	3.8
137.09573	8.7
139.03894	4.1
143.08545	3.8
143.10641	11.8
145.04922	4.3
145.10129	17.7
147.11671	40.5
149.05913	10.6
149.09540	3.2
149.13240	7.4
151.11121	6.7
157.10092	8.9
159.02838	6.1
159.11656	17.3
161.02429	3.6
161.09613	4.4
161.13237	8.5
163.03851	3.6
163.07526	13.4
163.11159	7.0
171.11613	6.8
173.13167	3.7
175.11230	5.8
175.14819	3.5
177.12778	4.6
179.10730	3.6
181.08568	5.4
187.09390	7.6
189.09229	4.6
201.16374	16.3
203.07014	21.9
203.10628	3.4
203.17932	9.9
205.10432	3.3
213.03825	4.6
219.13847	15.4
219.17410	30.6
219.92201	3.1
220.27415	3.6
221.18951	4.3
231.04976	6.2
237.18456	13.5
261.18509	3.1
305.24689	4.3
323.12711	21.6
327.19415	4.0
485.18994	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37249	2.7
53.03939	9.1
55.01846	3.3
55.05507	20.4
57.03426	5.9
57.07040	3.1
61.02909	5.5
63.57063	2.5
67.05487	12.6
68.99788	5.8
69.03431	26.1
69.07058	13.0
70.06568	2.8
71.04996	25.4
71.58035	4.2
74.22171	2.7
77.00308	3.2
79.05483	12.2
81.03426	21.6
81.07052	37.6
83.04982	23.0
83.08594	3.3
85.02910	41.9
87.00827	18.8
91.05493	16.0
93.07045	30.1
95.04993	6.1
95.08598	25.4
97.02900	14.1
97.06512	7.0
99.04436	5.9
99.08123	3.7
105.01862	8.9
105.07028	32.3
107.08583	25.2
109.02869	28.9
109.06535	4.7
109.10152	16.5
117.07027	5.7
119.08591	17.8
121.10144	41.6
123.08065	11.4
123.11700	16.6
127.03902	29.1
127.11176	3.8
129.01826	3.5
131.08585	15.0
133.10129	100.0
135.08031	4.0
135.11674	21.8
137.13185	3.7
139.11203	4.9
143.08539	4.1
145.04922	6.4
145.10089	17.9
147.02887	3.6
147.11707	18.7
149.09618	4.4
149.13272	9.8
151.11189	9.3
153.12738	17.2
159.11665	20.0
161.13283	5.9
163.03876	3.0
163.11195	7.2
173.13194	5.4
175.11232	3.5
187.07535	3.7
191.17989	15.4
201.16348	28.9
203.06949	6.7
203.10666	3.4
219.13881	4.6
219.17451	32.5
231.04929	4.5
237.14842	6.1
237.18480	30.0
310.95047	3.5
323.09305	3.8
323.12787	6.4
385.77646	3.4
389.02158	3.4
441.20956	4.1
485.19531	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.8
55.01861	10.7
55.05499	9.0
55.27710	2.1
57.03438	12.0
61.02913	9.1
61.59913	2.7
67.05495	10.4
68.99798	4.8
69.03078	4.2
69.03429	59.3
69.07056	4.6
70.06580	4.3
71.04972	7.3
71.58191	3.8
73.02915	10.8
79.05484	10.7
81.03417	53.4
81.07044	17.1
83.01346	3.0
83.04966	4.2
85.02901	73.2
87.00827	23.8
87.04471	2.7
91.05478	13.5
93.07043	32.3
95.04961	8.1
95.08610	17.1
95.51176	2.2
97.02893	26.3
97.06519	4.0
99.04453	19.4
105.01862	13.5
105.07022	18.8
107.04942	4.9
107.08588	19.3
107.29092	2.1
109.02878	52.0
109.06524	8.3
109.10182	11.2
115.03927	2.6
117.01849	5.2
117.07038	2.6
119.08582	13.5
121.06507	4.5
121.10143	71.6
122.12032	2.6
123.08087	7.1
123.11715	6.3
125.05956	3.1
127.03918	64.5
129.01802	4.1
129.06993	3.7
131.08572	9.4
133.10136	13.9
135.08072	4.8
135.11684	21.3
137.05959	4.1
137.09590	3.7
143.08513	4.3
144.09341	2.8
145.04930	13.1
145.10106	6.3
147.11711	4.0
149.05995	4.5
149.09650	3.3
149.13266	5.1
151.07521	26.0
151.11206	3.6
157.10114	4.3
157.12494	2.5
159.02896	18.0
159.04089	2.8
159.08046	3.4
159.11707	17.4
161.05914	3.2
161.09610	7.7
173.13280	8.2
175.11140	3.6
177.12761	10.4
179.10693	4.9
187.05969	3.2
187.07520	46.1
191.14313	10.4
193.12253	6.8
201.09100	2.6
201.12781	4.9
203.07069	7.6
207.17267	2.3
219.13794	47.5
219.17326	4.1
231.04980	5.7
237.14838	97.5
238.15218	3.0
323.12714	11.2
399.20105	5.2
402.05905	2.5
437.56570	2.5
441.21417	14.3
485.20166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01856	0.3
57.03421	0.3
58.56398	0.2
65.03901	0.2
67.05483	0.4
69.03400	0.6
69.07057	0.3
69.80067	1.2
74.84935	0.2
75.97934	0.2
79.05461	0.5
81.03383	0.5
81.07047	1.4
85.02898	1.0
91.05470	3.1
93.07033	0.6
95.01303	0.8
95.04949	0.4
95.08581	0.6
97.02857	0.3
98.21452	0.4
100.76838	0.2
105.03368	0.7
105.07013	0.7
107.04933	0.6
107.08536	0.5
109.02851	0.3
109.06503	1.2
115.05402	0.4
116.06273	0.2
117.06995	0.4
118.65028	0.2
119.04926	2.9
119.08583	1.9
120.02106	0.2
121.02843	0.3
121.10129	0.3
123.00768	0.8
127.03918	0.4
128.06213	0.5
129.06998	2.0
131.04892	0.3
131.08542	0.8
132.05615	0.2
133.02834	0.6
133.06464	0.6
135.04391	0.4
135.11725	0.2
141.06943	0.5
144.05696	1.1
147.04395	6.6
147.06934	0.3
147.08028	4.2
147.11617	0.3
149.02325	2.2
149.05974	1.7
150.64197	0.2
151.03856	1.9
157.06435	0.8
159.04395	0.4
159.08035	0.4
160.05194	0.5
161.02327	11.5
161.05963	4.9
163.03871	1.9
167.03380	4.2
169.06395	0.4
175.03891	1.9
175.07535	2.9
179.03360	0.4
185.05951	5.7
187.07523	10.3
188.04642	0.5
193.04860	0.2
195.27972	0.2
196.60785	0.2
197.05951	0.6
203.07004	100.0
204.07384	1.5
206.05751	0.3
221.08083	1.1
277.12286	0.2
281.07922	0.4
281.11743	0.3
286.45981	0.2
305.11584	0.2
323.12735	67.0
324.13107	1.6
331.03275	0.2
363.08072	0.2
485.17181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
57.07075	15.9
58.06601	1.3
60.04495	0.8
67.05496	3.1
69.07063	2.8
70.06593	11.2
70.83382	0.9
70.83722	2.2
71.08638	6.2
73.02878	1.8
80.96075	0.8
81.07047	3.6
83.08607	1.8
85.10185	4.9
88.07626	19.5
95.08618	3.3
97.10208	1.1
102.09174	13.3
109.10120	2.0
155.14514	0.7
176.39870	0.9
228.23221	43.9
246.24301	3.6
255.23169	3.7
256.26413	2.8
283.26306	47.1
358.98248	0.8
371.03531	0.8
421.96252	0.8
484.47235	100.0
485.47916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05502	0.3
60.55169	0.2
65.03926	0.3
67.05484	0.4
69.03406	0.3
69.07055	0.4
69.76595	1.2
71.61765	0.2
75.04876	0.2
79.05464	0.6
81.03417	0.4
81.07043	1.7
85.02890	0.6
91.05472	2.8
93.07013	0.5
95.01319	0.8
95.04940	0.2
95.08587	0.5
97.02898	0.3
103.05419	0.3
105.03397	1.0
105.07012	0.6
107.04938	0.4
107.08590	0.4
109.02846	0.2
109.06499	1.3
109.10126	0.4
115.05444	0.3
117.06997	0.3
119.04939	2.0
119.08566	1.8
121.02885	0.2
121.10114	0.3
123.00755	0.5
128.06184	0.3
129.06995	2.0
131.04936	0.2
131.08543	0.7
133.02835	0.6
133.06487	0.6
133.10223	0.2
135.07994	0.3
144.05688	0.6
147.04410	5.0
147.08032	3.7
149.02332	1.9
151.03896	1.6
153.05489	0.3
157.06476	0.8
159.08075	0.3
159.95457	0.2
160.05170	0.6
161.02336	11.5
161.05952	4.5
163.03886	1.9
163.07550	0.9
167.03389	4.1
169.06429	0.3
175.03926	1.5
175.07512	2.7
185.05960	4.9
187.07558	0.8
188.04666	0.5
197.05984	0.3
203.07013	100.0
204.07394	1.8
221.05975	0.3
221.08081	0.7
221.19295	0.2
281.11697	0.3
301.27582	0.2
305.00986	0.2
323.12744	66.1
324.13040	1.9
501.19821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	29.8
60.01995	6.4
67.05500	38.2
69.07053	24.6
70.01585	16.2
70.01997	26.4
73.13079	6.9
79.05488	25.2
81.07050	44.6
83.08605	24.4
85.06532	7.7
91.05465	19.8
93.07040	22.1
95.08605	34.8
97.06564	7.1
97.10169	10.4
100.89035	7.8
102.25727	8.2
105.07025	22.5
107.08588	8.9
109.10146	9.0
117.07014	10.6
119.08567	24.8
121.10156	10.2
123.11674	7.9
125.09621	7.2
128.06203	16.9
129.06963	42.6
131.08562	15.5
133.10130	14.8
133.42465	6.6
134.63271	6.2
141.05949	6.9
141.06981	20.3
142.07777	14.6
143.08606	45.9
145.10104	23.7
155.01070	19.2
155.08490	38.1
157.10133	38.2
159.11635	10.8
167.08531	14.8
169.10132	35.4
171.11708	29.6
181.10133	15.8
183.11662	28.2
185.13219	19.8
187.83441	7.6
193.10184	10.8
195.11754	19.5
197.02298	7.4
197.13188	18.7
199.14798	8.7
203.07069	14.7
207.11600	10.6
209.13226	17.9
211.14848	11.8
221.13033	6.8
223.14775	10.9
225.16266	8.2
225.54430	7.3
227.18105	8.7
271.16962	8.8
299.20139	11.7
313.21707	13.2
341.25024	11.7
345.65430	6.9
429.31436	24.6
447.32632	80.5
465.33588	31.5
465.39352	7.2
481.56912	7.4
483.35007	100.0
484.34970	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63126	8.5
71.57528	16.9
84.04504	35.9
91.05485	10.2
98.97565	9.1
118.06560	18.0
126.05499	40.8
144.08081	13.2
146.06020	76.7
163.03929	15.5
188.07077	100.0
191.80196	9.5
200.48682	10.9
205.09726	23.2
206.88979	9.5
216.07413	9.2
251.40698	10.7
263.10339	17.0
280.12799	14.4
321.14359	13.1
468.22723	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.9
55.05504	26.4
57.03436	34.9
61.02930	64.0
67.05179	6.5
67.05504	82.4
69.03424	41.1
69.07059	16.5
71.01350	6.5
71.04982	11.0
73.02908	31.1
79.05489	65.1
81.03408	25.9
81.07053	100.0
83.04946	7.6
83.08620	7.9
85.02907	57.8
89.78931	4.0
91.03953	33.0
91.05479	37.5
93.06483	5.7
93.07045	69.0
95.04977	17.6
95.08598	79.8
97.02893	52.8
97.06566	5.0
99.04447	11.9
101.02368	14.5
103.03945	10.8
105.07034	44.7
107.04894	4.3
107.08578	41.6
107.61126	3.6
109.02873	10.6
109.06513	9.2
109.10145	37.7
111.08068	6.1
115.05360	3.7
117.07010	15.7
118.89683	3.1
119.08574	33.5
121.06538	3.7
121.10154	36.4
123.08028	5.1
123.11697	8.7
125.09696	4.9
127.03929	22.9
129.05405	5.2
129.06949	7.1
131.08540	18.3
131.85454	3.5
133.10141	25.4
135.08035	5.6
135.11671	22.0
143.08556	6.5
145.04980	6.3
145.10115	18.0
147.08043	4.5
147.11673	15.5
149.13261	9.3
157.10147	8.9
159.11711	11.6
161.13269	9.2
169.30779	3.7
171.11621	6.0
173.13260	5.6
175.14806	4.5
183.06551	4.7
185.13174	4.6
187.14917	4.7
198.04034	4.0
229.19577	5.7
247.20538	20.8
264.59564	4.5
321.24237	68.2
349.23645	5.6
447.27325	4.6
483.29053	13.9
508.25327	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.2
57.03432	33.6
61.02929	75.0
61.60371	12.0
67.05505	99.9
69.03426	53.2
69.07088	24.2
69.88976	52.8
71.01366	15.1
73.02909	27.3
79.05508	75.8
81.03419	27.4
81.07058	100.0
85.02915	81.4
91.03972	55.1
91.05486	48.2
93.07066	56.6
95.04954	14.9
95.08602	82.3
97.02913	48.7
101.02399	14.7
105.07053	48.5
107.04939	11.3
107.08601	43.8
109.02885	13.3
109.10149	34.5
116.84032	10.4
117.36544	9.6
119.08588	25.8
121.10154	35.9
127.03935	26.2
131.08569	29.8
133.10146	27.7
135.11687	10.8
135.33159	9.6
145.10149	27.1
149.13350	11.7
159.11652	14.6
173.13261	10.7
244.50833	12.2
247.20648	11.3
321.24258	56.0
391.80734	11.3
452.77304	11.1
483.30603	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54354	0.8
55.05501	1.7
67.05503	1.3
69.03423	1.9
69.07052	2.7
69.47765	2.8
69.48201	3.8
79.05475	2.0
80.34374	0.8
80.78824	0.7
81.03403	2.1
81.07070	4.1
85.02893	2.5
90.40560	0.8
91.05492	1.3
93.07065	3.9
94.94353	0.7
95.04970	1.3
95.08614	4.1
97.02895	1.3
97.10154	2.7
105.07011	2.9
107.08585	2.7
109.02909	1.5
109.06520	1.3
109.10155	3.0
119.04930	1.0
119.08570	1.7
121.10123	5.5
123.11673	1.0
127.03873	1.1
135.11688	1.2
137.09558	0.9
139.10997	0.8
145.10092	0.9
147.04408	3.6
161.02946	1.1
163.03920	3.4
189.16559	1.0
217.15947	0.9
229.09816	0.8
235.09416	2.0
235.16815	1.8
245.06416	1.9
252.87241	0.9
261.47946	0.9
271.04230	1.2
289.05261	2.6
316.08582	0.8
347.26767	0.9
393.27872	1.2
397.15131	4.5
397.21545	4.3
439.15717	16.9
439.22873	24.9
483.14694	37.6
483.21893	100.0
484.15005	2.0
484.22260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01869	8.6
55.05504	21.6
57.07069	7.6
58.99578	15.5
67.05508	31.8
69.03407	18.2
69.07067	60.6
69.46399	42.6
71.04987	4.9
77.40520	4.4
79.05499	26.3
80.05025	4.2
81.03403	13.5
81.07057	51.3
83.04956	8.8
83.08620	13.2
85.02916	22.4
86.00620	8.0
86.99047	14.4
87.00811	9.0
88.02241	6.4
91.05486	27.7
93.07038	26.4
94.06552	7.4
95.04955	13.2
95.08624	22.1
97.01118	6.6
97.02892	9.2
97.06493	7.8
97.10159	9.7
98.00636	4.9
100.02227	4.9
105.01866	6.8
105.07047	23.7
107.04960	12.7
107.08588	25.0
108.04464	8.0
109.02858	9.2
109.06540	11.3
109.10152	14.8
111.02724	5.6
111.08096	7.4
111.11700	20.0
112.02195	16.8
112.12110	4.7
114.03737	7.6
116.01672	61.2
117.07030	13.9
118.06539	4.4
119.08583	24.4
121.06463	5.5
121.10155	9.5
122.06039	5.1
123.08068	12.6
124.02177	7.7
126.03745	14.1
127.03920	13.9
128.01567	4.9
128.06252	5.7
129.06990	5.1
129.12759	23.4
130.13098	7.8
131.08578	15.4
133.10130	9.8
135.08043	6.0
135.11636	5.1
136.11214	5.8
137.09674	8.0
138.00078	14.1
138.03719	16.5
140.01700	10.3
142.07770	7.5
143.08553	10.6
144.01169	7.7
145.06137	5.7
145.10063	10.1
147.11662	7.6
149.09669	10.3
150.03680	25.4
151.07533	5.5
152.01608	7.3
152.05273	10.8
158.09631	5.8
159.08051	6.2
159.11736	5.3
161.09654	11.3
162.02205	13.5
162.03714	7.3
163.07603	8.8
163.11151	8.7
164.01694	7.6
166.03223	15.9
178.03230	8.9
178.12253	6.1
180.54700	5.0
187.07660	5.2
189.09090	8.0
194.09897	6.0
203.07033	8.6
208.11510	6.1
217.56644	4.9
218.10059	8.5
220.11520	11.0
236.11076	29.2
238.09032	6.0
240.10448	9.6
242.12120	7.3
248.11096	22.2
253.06410	17.5
254.12059	11.3
264.10596	42.6
266.12057	34.8
273.18616	9.7
276.10513	16.4
276.76849	4.8
282.11642	27.4
291.19568	25.5
291.53159	4.4
292.10092	19.7
294.11475	12.4
310.11118	7.1
311.14249	15.7
321.12796	18.3
323.14261	16.7
337.12247	6.1
339.13785	29.4
344.16980	12.4
349.12207	11.6
357.14801	9.8
362.17767	10.0
367.13190	40.3
368.13959	14.0
369.14673	53.7
385.14310	81.9
406.96753	5.6
419.20087	15.3
437.21591	5.1
447.19479	24.6
465.20532	100.0
483.21497	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54355	2.1
52.24954	1.6
53.03933	3.6
55.01875	4.4
55.05508	17.2
57.03432	8.0
59.04996	3.6
60.44627	1.7
61.02914	2.8
67.05493	12.1
69.03431	13.7
69.07069	37.7
70.06573	3.2
71.05000	3.4
71.57410	2.5
71.57782	2.7
79.05497	18.6
81.03429	10.1
81.07057	16.1
83.04969	6.2
83.08647	2.5
85.02892	10.8
85.06524	4.3
89.03902	5.3
91.05478	7.6
93.07055	12.5
95.04965	7.8
95.08615	15.5
97.02900	4.9
97.06528	98.2
97.10153	13.2
99.04459	4.1
105.07039	13.9
107.08604	10.5
109.02853	7.5
109.06519	5.7
109.10156	9.0
111.04442	2.2
111.08053	3.4
117.03397	5.8
119.08583	9.0
120.08136	2.2
121.06497	3.7
121.10123	9.0
123.04374	2.2
123.08047	4.0
123.11733	4.7
125.09608	5.4
127.03910	11.0
129.07069	2.1
129.09140	3.4
131.08569	5.5
133.02855	4.0
133.10115	7.7
135.04431	10.2
135.08041	3.1
135.11682	3.2
137.09641	2.9
139.11110	2.4
143.10725	3.0
145.02814	5.4
145.10118	5.2
147.04355	2.4
147.11676	3.1
149.13242	3.2
151.11299	2.1
157.10202	2.3
159.04431	7.8
159.08072	3.6
159.11710	5.4
161.02353	34.4
161.09657	2.8
161.13240	3.0
163.03915	66.7
164.32755	2.1
165.12735	2.9
171.11728	2.7
173.02354	65.3
175.11310	2.4
175.14857	2.8
185.05981	4.7
187.07571	2.9
191.03342	10.1
199.07634	2.1
215.07027	100.0
217.12291	6.8
217.15878	5.0
233.08109	4.3
235.09663	5.6
235.13283	4.3
241.08606	15.2
248.58321	1.9
259.09610	29.7
261.33304	1.8
273.11252	16.4
291.12244	89.8
306.18222	2.4
347.18301	1.8
351.22150	2.0
429.67841	2.3
465.28635	2.2
483.21533	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20716	1.2
69.03416	2.6
71.57066	2.4
72.08158	1.9
74.30791	1.3
79.05509	3.3
81.03417	1.7
85.02898	2.7
95.04972	3.5
104.22266	1.4
107.04951	100.0
108.05279	2.0
110.27530	1.4
111.52112	1.5
116.98547	1.5
122.66245	1.4
152.07039	1.8
156.07765	1.8
163.03754	2.9
163.53522	1.4
174.24745	1.8
185.04269	3.4
209.10487	1.5
210.75490	1.4
215.01614	73.4
289.82227	1.5
377.07019	5.3
483.10883	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.6
62.49294	0.6
67.13805	0.6
71.56741	0.9
98.97583	4.4
105.11293	0.6
116.98622	5.3
132.96611	1.2
134.99673	6.2
153.00696	1.8
174.97668	2.5
177.00975	0.9
192.98686	6.5
193.60924	0.7
202.87479	0.7
203.32732	0.6
208.96675	2.0
214.95557	0.8
216.98671	1.7
232.96649	12.0
234.99806	6.7
238.95564	0.9
240.98895	0.8
250.97737	18.4
251.97845	0.9
252.98180	0.7
253.00925	1.8
256.96677	11.4
258.99948	8.0
260.00082	1.6
261.00092	1.2
261.02881	1.0
264.99063	0.9
268.98801	1.5
274.97723	56.5
275.97894	3.1
276.97833	1.5
277.00934	11.6
278.01205	2.2
279.00925	2.7
280.96829	2.8
282.99966	8.4
284.00192	2.2
284.99857	2.3
292.98804	21.0
293.99017	1.9
297.99359	2.3
298.97745	35.2
299.97723	2.2
300.97791	1.0
301.01031	24.5
301.98199	0.7
302.01175	4.2
303.00952	6.5
307.97327	1.1
316.98807	100.0
317.98975	4.6
318.98804	2.3
319.02206	1.6
332.96732	1.0
334.99887	6.5
340.00473	5.3
340.98734	1.2
358.99997	5.2
360.99979	1.3
374.97861	3.0
380.96912	1.4
398.97864	0.8
401.01089	3.5
402.01318	2.0
410.98773	0.7
416.98962	10.3
417.98767	0.8
422.97684	5.8
425.01108	2.0
440.98813	40.7
441.99042	2.2
443.02533	9.6
444.02536	1.9
445.02200	4.3
446.02252	1.2
447.02249	1.1
452.98495	0.8
458.99960	89.7
460.00070	5.9
460.99677	1.8
473.01721	0.8
477.01141	1.8
482.01501	8.7
483.01511	6.5
484.01581	0.9
501.02527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70447	0.5
56.05045	1.2
57.07077	3.9
58.06602	1.6
60.08161	19.0
64.29001	0.5
67.05478	1.1
69.07056	0.6
69.25269	6.3
71.07367	6.9
71.08604	1.6
74.37138	0.6
79.62260	0.6
79.70367	0.6
81.07040	1.2
85.39155	0.6
86.09701	50.4
91.72757	0.6
95.08600	1.4
98.98459	4.4
104.10735	100.0
105.11097	0.7
107.69798	0.5
109.10191	1.0
124.99997	26.3
158.98801	0.7
184.07332	99.9
185.07651	1.3
195.25081	0.6
258.11005	1.6
261.47931	0.6
299.25735	1.9
406.06967	0.6
464.31348	9.0
482.32431	21.7
483.32971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.3
57.07090	6.4
62.71873	4.7
62.97743	3.9
67.05509	23.4
69.07067	32.8
71.05006	5.6
71.58619	6.2
74.06083	6.7
79.05492	31.8
81.03414	5.7
81.07040	27.0
83.08611	6.6
86.09701	33.5
89.06030	8.8
89.41675	4.4
91.05485	30.7
93.07032	27.2
95.04982	17.0
95.08604	16.2
97.10181	6.9
105.07030	24.5
107.04966	27.9
107.08598	15.7
119.08596	21.3
121.10165	17.6
131.08585	9.7
133.10133	22.4
135.08046	20.6
139.11145	9.4
145.10123	8.6
147.11618	6.1
149.09579	4.6
161.13304	5.8
189.05038	4.7
203.12798	11.2
207.13860	4.4
215.14023	4.4
237.14941	15.3
275.20078	100.0
286.56564	5.0
293.21136	64.6
297.57733	4.8
310.31027	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.6
57.07074	9.3
67.05481	8.6
69.03420	18.4
69.07068	80.0
71.04991	10.4
71.58687	9.7
73.02908	12.3
73.06559	9.0
80.96816	6.9
81.03405	15.1
81.07050	16.4
82.87340	6.7
83.08643	8.5
83.86357	8.0
84.04511	9.7
85.02909	44.5
87.00817	31.0
89.06016	19.1
91.05456	8.5
93.07066	11.1
95.08617	11.3
97.02898	38.4
98.31446	7.5
99.04456	17.2
105.01865	30.5
105.07009	12.6
109.02865	14.8
111.11716	83.2
127.03912	42.4
129.12756	100.0
145.04970	14.9
145.10155	9.1
159.02896	11.7
159.64642	7.0
199.16904	17.0
211.23367	7.5
212.91272	6.7
214.42400	6.4
217.18051	12.5
221.87291	7.6
329.66257	7.4
391.15552	6.9
397.20920	7.5
482.34827	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.324
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05494	4.6
57.06876	2.4
57.07080	26.9
59.90466	2.8
62.06085	26.2
69.07066	4.6
69.84167	5.4
69.84564	16.2
71.08631	26.0
81.07032	6.9
83.08571	3.0
85.10174	13.0
89.06035	17.9
95.08599	9.4
98.98477	4.6
109.10165	6.1
128.88766	2.8
133.08598	10.9
155.01038	4.2
177.11237	3.5
180.21660	3.0
186.03407	2.7
195.12941	2.8
267.27008	3.5
283.17340	4.2
310.31097	24.6
341.30508	100.0
342.30643	6.5
372.01981	3.0
421.26834	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01856	3.9
55.05503	8.1
57.03426	6.0
61.02908	5.1
61.11138	1.8
62.69544	2.0
67.05495	13.1
69.03427	5.7
69.07063	4.0
71.04967	2.8
79.05501	14.7
81.03419	59.0
81.07051	15.1
83.04979	11.6
83.08631	17.9
85.02892	19.2
85.06525	3.0
91.05475	21.6
93.07053	12.9
95.04405	3.5
95.04955	19.2
95.08598	7.1
97.02896	6.2
97.06512	2.4
97.10196	3.1
101.98498	2.3
105.07037	13.9
107.04936	5.3
107.08594	6.0
109.06498	4.6
111.08067	7.5
113.05997	2.7
119.08564	8.7
121.10125	7.8
129.06987	7.5
131.08556	10.4
133.06512	3.7
133.10103	8.7
137.09714	2.4
140.07053	2.6
142.07764	3.9
147.11687	13.9
149.09590	5.0
153.12714	3.7
157.10123	7.9
165.12796	3.3
175.11183	16.1
193.12239	59.6
211.13280	53.2
267.15912	21.5
283.09647	3.2
285.10175	3.5
285.16959	100.0
303.11383	5.1
476.99365	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08770	5.1
55.01855	6.0
55.05494	7.6
57.07072	16.4
69.03428	20.3
69.07072	53.7
69.28640	60.4
71.04993	8.7
71.08622	9.8
73.02935	7.2
73.06550	14.8
77.25934	4.3
79.25698	4.4
81.03435	27.8
81.07059	7.0
83.08610	9.3
85.02900	50.6
87.00825	28.8
89.06019	22.7
97.02888	24.7
98.20762	10.0
99.04445	8.8
105.01892	25.2
109.02870	18.3
111.11730	75.9
122.27258	5.3
127.03935	40.7
129.12753	100.0
145.04979	21.6
159.02968	5.8
199.16998	15.0
216.53780	5.0
217.18002	14.2
230.76433	6.1
231.04939	11.6
238.05835	5.8
241.09819	5.6
243.21555	5.8
369.92682	6.2
379.43631	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.05508	20.5
57.03458	7.1
57.07079	6.9
59.05020	5.3
67.05516	17.6
69.03452	17.0
69.07064	25.9
71.04976	6.3
71.58314	5.7
73.77790	3.0
79.05469	9.3
81.03412	9.7
81.07069	17.9
83.08609	6.9
85.02886	17.9
87.00786	5.3
91.05460	7.9
92.99763	3.1
93.07034	10.6
95.04966	5.6
95.08607	14.8
97.02891	9.6
97.10147	24.1
99.04480	4.7
102.04776	3.6
105.01856	8.7
105.07018	11.2
105.25962	3.4
107.04938	5.4
107.08581	9.2
107.57214	2.8
107.98690	2.9
108.12191	3.0
109.02853	7.8
109.06523	3.5
109.10150	45.2
110.07162	5.0
111.11704	4.8
115.11212	17.3
117.07037	5.8
119.08533	6.5
121.10140	9.3
127.03916	14.1
127.11190	100.0
129.12752	6.0
133.10133	3.3
135.11685	5.0
137.05914	6.9
143.08586	3.3
145.10107	6.1
145.12221	12.5
147.11629	4.3
149.09538	4.7
159.11589	4.4
163.07593	4.9
173.09616	4.4
175.11165	5.0
175.56427	3.2
178.06834	18.5
182.79163	3.2
215.14378	3.8
215.16396	3.9
231.05009	3.3
233.17403	7.6
250.21590	3.3
281.09564	17.2
289.05185	4.0
414.54346	3.9
430.97583	3.6
434.77957	3.5
481.20291	18.6
481.26514	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41047	9.4
55.01862	46.7
55.05501	14.5
55.31060	10.4
67.05507	57.0
67.40038	9.9
69.07059	37.7
71.58730	17.3
79.05479	20.6
81.07047	38.6
83.04979	15.5
93.07034	29.5
95.08607	26.8
97.06519	65.3
107.04983	22.4
107.08576	17.3
109.06520	10.5
109.10104	26.2
111.04433	28.7
111.54891	9.7
119.08596	16.0
121.10147	18.7
124.99969	15.1
130.70894	13.0
131.08563	15.6
137.09535	10.6
149.09613	17.4
160.97247	11.8
161.09666	11.9
167.08438	12.5
169.28996	10.1
210.71713	11.3
273.18542	22.9
291.19574	100.0
309.20560	19.1
385.99667	11.5
435.56903	12.1
481.38345	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05502	1.6
64.89215	0.8
67.05495	1.5
69.03428	1.5
70.92060	1.7
79.05484	2.7
81.03421	1.5
81.07044	2.9
85.02872	1.0
86.30594	0.7
91.05474	3.1
93.07053	3.9
95.04981	1.4
95.08611	3.9
97.02882	0.8
105.07028	4.4
107.08626	4.3
109.06507	1.0
109.10138	1.4
119.08588	4.4
121.10130	0.9
131.08537	1.0
133.10123	6.5
135.11687	2.9
137.09579	1.2
145.10109	1.0
147.11703	1.5
149.06001	1.3
157.85904	1.0
165.05544	0.9
175.14798	1.2
183.24309	0.8
202.11763	0.8
203.05276	1.7
204.19829	0.8
245.06383	6.6
287.03687	1.6
289.05295	100.0
290.05618	2.1
301.21674	0.7
394.09979	0.9
463.19739	1.1
481.16376	14.3
481.20734	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
55.17493	0.9
60.07153	0.8
62.41523	0.8
67.05481	2.6
69.03416	1.6
69.07033	0.8
70.06583	1.0
71.58321	0.7
79.05479	1.9
81.03416	1.6
81.07047	2.6
81.47415	0.8
83.04996	0.8
85.02901	1.8
86.84477	0.8
89.81576	0.7
91.05465	3.0
93.07030	4.4
95.04961	1.7
95.08611	3.9
97.02874	1.0
99.04469	0.8
105.07014	6.0
107.04929	0.8
107.08585	3.8
109.10135	1.9
115.72958	0.7
119.08593	4.9
121.10152	0.9
123.11753	1.1
127.03769	0.8
131.08606	0.9
133.10153	6.4
135.11685	3.5
137.09563	1.3
141.08981	0.9
146.05989	0.9
147.11699	1.5
149.05971	1.3
167.07089	1.0
185.04332	0.9
203.05280	1.9
241.77226	0.9
245.06377	6.1
271.04242	0.9
285.16827	1.0
287.03775	1.0
289.05289	100.0
316.99142	1.0
317.08450	2.5
333.04202	1.0
349.12695	1.2
421.05383	1.5
437.21664	1.0
481.16119	69.3
482.16995	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.05501	3.6
57.03449	1.3
67.05504	4.5
67.47384	1.0
69.03417	3.2
69.07063	4.2
69.49641	0.9
69.88917	1.9
69.89336	4.0
71.04993	1.4
73.02869	1.1
79.05488	4.0
79.59981	0.8
81.03411	3.6
81.07050	8.0
83.04961	1.1
83.08613	1.4
85.02904	3.6
85.06541	1.6
86.09689	2.5
91.05496	4.2
93.07034	4.7
95.04958	2.7
95.08609	6.1
97.02859	1.5
97.06526	2.1
97.10158	2.8
98.09692	1.7
98.21500	1.0
99.08097	1.4
99.10006	1.0
103.05482	1.0
105.07047	4.7
107.04980	1.5
107.08592	5.2
109.02885	2.4
109.06536	2.1
109.10140	5.5
111.08076	1.7
114.89165	0.9
119.08574	3.0
120.08124	1.5
121.10135	4.0
123.04411	0.9
123.08073	1.3
123.11662	2.0
127.03883	3.3
129.06990	0.9
130.06517	1.2
131.08569	3.8
132.82719	0.9
133.06549	1.3
133.10127	2.9
135.08052	1.5
135.11678	2.0
136.29361	0.8
137.05901	4.2
137.09608	1.4
139.11221	1.9
143.08522	1.4
145.06554	1.1
145.10126	2.0
147.04359	1.0
147.08014	1.0
147.11682	1.5
149.09592	1.3
149.13278	1.8
151.07529	3.3
157.10124	2.0
159.11678	2.8
163.03879	1.1
163.11183	1.8
171.11682	1.3
173.09520	1.0
175.11229	0.9
177.09135	1.0
187.11182	0.9
191.03387	1.2
196.07445	1.7
215.14241	1.0
227.05254	0.9
233.15154	9.7
266.08017	1.1
271.04343	2.4
289.05530	1.2
301.21439	1.6
340.08276	2.7
377.19272	3.5
395.20361	11.0
419.20450	2.0
437.21442	39.5
438.22006	1.2
481.20444	100.0
482.20840	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92813	0.7
55.05494	1.3
65.90137	0.5
67.05479	1.1
69.03400	1.6
69.07049	1.0
70.06568	0.6
71.04993	0.8
71.57746	0.8
79.05470	1.8
81.03395	1.7
81.07025	2.2
83.93221	0.6
85.02880	1.4
85.06558	0.6
90.31348	0.7
91.05436	1.7
93.07007	2.7
95.04954	0.9
95.08607	3.0
98.70076	0.5
105.07037	4.2
107.08549	2.3
109.02842	0.7
109.10129	1.3
117.06991	0.9
119.08602	3.5
121.10104	1.3
127.03761	0.8
131.08508	0.9
133.10136	4.0
135.11638	2.6
145.04877	0.6
145.10097	1.0
149.05952	1.5
163.03816	1.0
163.11180	1.1
167.06995	0.9
169.04710	0.8
170.68037	0.6
175.14847	0.9
191.07063	0.6
203.05362	1.1
215.05058	1.4
227.12799	1.0
228.13007	1.2
229.06718	1.0
245.06387	4.5
247.40146	0.6
283.15219	1.0
284.15686	2.5
289.05295	66.2
301.10895	0.7
302.10825	0.9
317.08374	3.3
349.12671	3.1
396.37775	0.6
421.27676	0.7
437.21445	0.8
481.16519	100.0
482.16852	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
55.05500	2.4
56.05033	1.5
57.03432	1.2
58.06607	1.5
60.07845	0.8
60.08158	16.6
67.05505	2.3
69.07060	1.7
71.07381	7.6
71.58591	1.1
79.05490	2.4
81.07059	2.8
83.08615	1.5
85.06503	0.7
85.37743	0.8
85.96251	0.7
86.09702	55.2
88.49085	0.7
93.07049	2.4
95.08584	2.3
97.06522	2.6
98.98470	4.6
99.02903	0.7
104.10739	97.6
107.08591	1.8
109.10129	1.1
123.11695	0.9
125.00000	30.1
143.01019	0.8
152.03188	0.7
177.81279	0.8
181.02577	0.7
184.07332	100.0
218.70203	0.8
258.10864	1.5
278.96851	0.7
297.24124	1.3
351.42999	0.8
425.74680	0.7
462.29578	5.1
480.23950	1.4
480.30771	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0971
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03940	1.6
55.01862	2.0
55.05504	1.2
57.03428	1.3
59.51492	0.7
61.02905	2.0
67.05485	2.1
68.99778	1.6
69.03429	4.1
69.07056	1.0
70.06584	2.4
70.87023	1.4
70.87422	1.4
71.04992	0.9
77.22215	0.6
79.05476	2.0
80.73941	0.7
81.03404	3.3
81.07031	1.2
85.02899	9.6
86.09692	1.0
87.04485	1.2
91.05473	1.6
92.51691	0.7
93.06998	2.0
95.04947	1.6
95.08593	2.3
96.21135	0.6
97.02878	3.2
97.06453	0.7
99.04462	1.5
105.07021	1.3
107.08579	2.1
109.02879	2.0
109.10147	1.4
117.06985	0.8
119.08596	0.9
120.08087	1.7
121.02860	1.1
121.10117	1.1
122.06004	1.1
123.04405	1.1
125.02411	0.7
127.03912	2.4
133.10107	0.8
137.02348	14.2
137.03357	0.9
137.05978	1.0
138.09167	0.7
141.01534	0.7
145.04922	1.6
147.04375	0.7
153.01802	4.2
157.53278	0.7
164.07062	1.3
169.01314	4.1
171.04329	0.9
181.01263	1.8
189.12782	0.7
199.03928	2.1
203.03297	0.8
217.04927	2.7
227.03391	1.8
237.10237	1.0
238.10542	1.3
240.73140	0.7
245.04420	5.3
268.11496	1.0
273.03958	11.1
294.09674	0.8
301.03406	13.1
303.04834	1.0
312.10767	1.0
319.04471	100.0
320.04761	2.5
322.09085	1.0
339.09631	2.2
340.10092	5.5
357.67389	0.9
399.41498	1.0
463.17081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
56.05011	0.9
58.06609	1.6
60.08159	18.6
65.96687	0.7
67.05487	2.9
69.07050	1.4
70.06589	1.1
71.07374	6.9
71.31866	0.8
77.43599	0.7
79.05494	2.6
81.07056	2.8
83.08619	1.2
86.09702	53.5
91.05443	1.4
93.07043	2.4
94.62914	0.7
95.08604	2.5
97.06509	1.0
97.10167	0.9
98.98470	4.0
102.66511	0.7
104.10738	100.0
107.08562	1.4
109.10164	1.1
121.10136	1.4
124.99995	28.0
125.17116	0.6
135.11658	1.1
163.03857	5.8
184.07332	99.5
207.06558	6.1
211.52074	0.8
258.11096	1.8
297.24149	1.2
300.28900	2.6
383.26474	0.8
443.95355	0.8
462.24280	0.7
462.29803	7.4
480.30786	18.4
507.10486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46208	0.3
55.01851	0.5
57.03398	0.5
58.38985	0.3
61.02913	0.6
67.05479	1.4
68.99763	0.6
69.03428	4.4
69.66952	2.7
70.06586	0.6
73.02885	0.5
79.05474	0.6
81.03401	1.3
81.07048	0.9
85.02447	0.4
85.02905	4.9
91.05447	1.5
93.07029	1.5
95.01300	0.5
95.04962	0.8
95.08595	0.4
95.12801	0.3
97.02872	1.5
99.04433	0.5
105.03351	0.4
105.07002	0.5
107.04932	1.2
107.08585	0.4
109.02850	0.7
109.06551	0.5
115.05437	1.1
117.07013	2.3
119.04951	2.0
119.08482	0.5
121.06457	1.4
123.03568	0.6
123.04427	10.2
131.04916	0.6
131.08574	0.4
133.06442	0.7
133.10136	0.5
135.04390	0.9
137.05980	1.3
145.05064	0.5
145.06451	2.7
147.04410	35.2
148.05121	0.8
149.05977	10.1
155.04900	1.2
161.05975	3.3
163.03873	2.0
166.07706	0.4
167.07089	0.6
167.08496	0.5
171.08089	0.3
173.05981	24.5
174.06757	2.1
181.06461	0.8
185.05972	0.4
187.07545	2.9
189.05423	0.4
191.07031	1.7
191.08521	0.7
194.07278	0.9
195.08083	0.4
197.05923	0.8
198.06871	0.4
199.07533	1.1
201.05597	0.3
209.09575	1.1
211.07524	0.5
212.08295	0.4
213.05490	0.7
213.09134	2.4
215.07074	2.7
219.07996	0.8
226.06209	0.5
227.06955	0.5
227.10658	1.2
236.08356	0.4
237.09059	2.7
240.07806	1.1
241.08600	0.9
247.07501	0.6
250.06297	0.6
254.05693	0.5
255.06390	0.6
255.07268	0.6
255.10165	7.6
257.47174	0.4
265.08423	2.7
266.09152	0.7
268.07309	2.5
281.26675	0.6
282.27167	0.4
283.09644	66.7
284.10107	1.9
295.10101	0.4
299.27710	0.5
301.10699	100.0
302.11102	1.2
307.09485	0.7
316.28336	1.0
317.28775	1.3
318.29169	0.8
325.10568	0.7
339.09805	0.6
343.11755	0.9
367.11716	0.6
409.05762	0.4
420.26978	0.5
445.14914	3.0
463.16055	1.1
479.34338	2.2
480.17545	0.5
480.34833	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30404	6.3
53.25261	5.0
55.05507	23.1
57.03416	6.9
57.07070	11.7
61.02922	7.3
67.05505	43.2
68.99780	7.0
69.03439	39.2
69.07057	24.0
70.06580	6.6
70.55370	13.8
70.55771	12.0
71.05003	7.8
73.02919	11.2
74.65048	5.6
79.05498	18.8
81.03419	23.7
81.07056	62.0
83.05007	7.0
83.08609	22.9
85.02412	11.6
85.02899	100.0
87.00818	38.1
87.04458	8.4
87.67332	5.6
91.05471	15.6
93.07047	15.2
95.04952	11.9
95.08605	67.2
97.02868	29.2
97.06526	6.8
97.10158	16.7
98.09684	68.7
99.04480	14.2
105.01873	76.8
105.07022	11.4
107.04924	9.1
107.08566	18.8
109.02856	33.6
109.06507	9.6
109.10140	75.0
116.10744	11.3
119.08566	13.7
120.08129	9.9
121.06576	6.3
121.10152	15.3
123.11693	71.8
124.99971	6.0
127.03912	56.2
133.10112	10.3
135.11685	25.7
137.05962	8.4
137.13272	22.3
145.04968	31.2
145.10085	19.4
147.04385	8.8
147.11632	8.1
157.10051	6.8
159.02972	8.6
163.11118	38.1
165.05379	6.0
178.06206	6.4
179.17949	52.3
181.12157	7.9
196.07321	55.3
197.19005	36.6
227.12773	33.2
231.04977	26.5
249.06093	11.1
283.15421	83.8
293.80685	5.9
312.40002	6.0
317.06631	8.6
318.06873	15.7
382.25940	10.7
436.20334	31.4
437.21405	8.8
462.22375	28.3
480.18613	66.5
481.20184	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27317	0.6
55.01843	0.5
55.05490	1.2
56.05031	0.7
57.03404	0.8
61.02893	1.2
65.03927	0.6
67.05508	3.4
68.05815	0.6
69.03434	6.0
69.07050	0.5
69.98922	2.4
70.03739	0.5
70.06599	2.3
71.04959	0.8
71.06918	0.7
73.02901	0.9
74.06038	1.4
79.05473	0.9
81.03379	1.6
81.07053	3.6
82.03696	0.6
82.07372	0.6
83.08611	0.7
84.08114	1.4
85.02904	5.4
86.03200	1.4
87.04436	0.6
88.65287	0.5
91.05434	1.8
93.07005	1.1
95.04941	1.4
95.08640	2.7
96.08108	0.8
96.08879	0.8
97.02863	2.0
98.09671	0.9
98.21431	0.7
107.04932	1.1
109.10146	0.8
110.09573	0.6
110.10458	1.0
115.05407	0.6
117.06973	1.6
119.04897	1.7
121.06497	0.7
121.10084	0.6
123.04417	7.2
127.03876	0.9
128.04225	0.6
135.04381	1.3
137.02359	0.5
137.05942	1.1
145.06453	1.9
147.04411	25.2
149.04921	0.8
149.05983	8.2
150.12650	0.5
155.04890	0.7
161.06015	2.5
163.03879	1.8
167.07010	0.8
167.08507	0.5
173.05991	21.0
174.06712	1.9
184.66934	0.5
185.05922	0.6
187.07512	2.0
191.07021	2.3
191.08586	0.7
201.08931	0.5
213.09048	1.4
215.07010	2.2
219.08072	0.6
227.10637	1.4
237.09238	2.1
240.07733	1.1
251.25491	0.6
255.10185	8.1
262.25195	0.8
263.25552	0.9
265.08533	3.0
267.11301	0.7
268.07300	2.2
280.26364	4.9
281.26691	7.7
282.27048	2.9
283.09650	71.1
284.09924	1.0
293.09238	0.9
294.09805	0.5
295.10834	0.7
298.27383	3.0
299.27798	5.5
300.28040	3.3
301.10699	100.0
302.11044	1.7
311.10376	1.1
316.28445	6.0
317.28772	12.4
318.28989	6.5
321.08655	0.8
339.09698	5.4
409.05542	1.0
462.32944	0.8
463.16019	4.5
479.34109	16.3
479.40958	1.1
480.18149	0.9
480.34363	26.0
481.07700	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01871	2.2
55.05513	11.9
57.03434	1.6
57.07061	5.6
59.05007	3.0
65.03942	3.7
67.05504	86.7
69.07056	11.5
69.32355	13.3
69.32759	2.3
71.04977	2.8
71.08644	1.5
79.05492	39.0
81.07057	65.4
83.08612	8.1
85.06543	2.6
91.05476	26.1
93.07037	55.0
95.04942	5.1
95.08605	47.0
97.06528	3.0
99.08067	1.7
104.84654	1.4
105.07024	19.2
107.08593	30.8
109.10155	51.6
111.08111	1.8
113.09642	1.4
117.07043	11.0
119.08578	17.0
121.10133	24.4
123.11703	7.7
125.09600	2.0
131.08568	18.8
133.10127	11.5
135.11685	22.6
136.59433	1.4
137.09610	5.4
137.13242	6.0
145.10115	15.4
147.11687	9.5
149.13254	12.1
151.14789	2.6
155.10643	5.3
159.11676	14.4
161.13261	7.6
163.14873	6.7
173.11739	45.6
173.13254	13.6
179.96602	1.6
187.14850	8.3
201.16354	1.7
231.43845	1.7
233.22649	3.3
243.21075	18.3
243.71660	1.4
261.22128	100.0
262.22498	3.9
264.17245	1.6
279.23166	8.7
288.92139	1.5
318.11200	1.5
357.96442	1.4
364.54364	1.7
395.68799	1.7
397.30560	2.6
415.32083	8.3
433.33322	3.0
443.31522	1.7
446.75574	1.8
461.32745	4.2
479.33881	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.2
55.01866	12.8
55.05513	37.3
57.03442	39.8
58.55531	4.4
61.02925	7.4
65.03931	5.5
67.05505	100.0
69.03431	51.3
69.07072	36.8
71.01351	9.6
71.04996	13.3
71.58473	7.9
73.02905	4.4
75.04427	6.2
79.05489	70.2
81.03426	39.3
81.07063	99.5
83.04987	23.4
83.08598	17.8
85.02911	24.5
91.05479	85.3
93.07043	93.4
94.50823	5.0
95.04969	29.6
95.08611	68.4
97.02871	18.6
97.06493	10.4
97.10151	8.5
99.04437	12.3
99.08138	4.9
101.02402	5.2
103.03941	14.0
105.07035	76.9
107.04945	15.7
107.07950	6.5
107.08600	49.5
108.64324	4.6
109.02867	21.1
109.06525	6.7
109.10153	31.7
111.04433	9.4
117.07003	40.5
118.81573	4.2
119.08592	67.3
121.06525	16.9
121.10156	33.2
123.04446	7.3
123.08024	6.2
123.11715	8.6
125.09599	6.4
127.03888	25.3
128.06236	11.2
129.05519	9.2
129.06993	26.5
131.08565	60.6
133.06488	18.0
133.10141	34.6
135.08044	12.1
135.11699	26.5
137.09645	5.7
137.13297	6.2
139.11258	6.4
141.06985	10.5
143.08545	23.2
145.04933	5.8
145.06519	11.7
145.10133	39.9
147.08041	16.7
147.11644	28.2
149.05882	6.8
149.09613	9.7
149.13258	17.9
155.08578	15.9
156.09367	7.0
157.10155	25.3
157.39929	5.0
157.68788	4.8
159.08083	10.5
159.11679	29.7
161.06006	8.5
161.09627	9.7
161.13187	13.6
163.03909	10.4
163.11171	8.8
163.14827	7.5
167.08485	5.6
169.10083	11.0
171.08060	6.6
171.11678	20.3
173.13269	17.6
175.07599	5.9
175.11143	9.6
175.14803	5.9
183.08109	6.6
183.11661	10.2
184.07355	9.7
185.09625	7.6
185.13232	11.8
187.11137	11.3
187.14848	7.1
189.12869	6.6
197.09639	6.0
197.13298	8.6
199.14868	10.7
201.12706	9.3
207.06526	14.4
211.14752	7.1
217.15923	5.1
223.14847	6.0
243.21046	6.1
261.22101	11.1
285.22180	6.7
299.23602	8.5
303.04880	5.3
303.23151	5.8
315.23227	12.2
327.13806	5.2
327.23239	7.4
341.24704	11.6
351.23148	17.9
369.24237	40.8
387.25452	26.5
405.26498	6.4
425.26822	6.3
431.28046	6.9
443.27792	25.3
449.28717	7.3
461.28937	64.6
467.95389	5.5
479.29953	71.1
480.32825	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.5
55.01867	15.9
55.05510	38.9
56.34578	2.8
57.03431	46.3
57.07071	7.7
60.79566	2.6
61.02914	4.5
65.03941	7.0
67.05499	92.6
69.03423	67.7
69.07068	30.5
69.50580	11.0
69.51009	13.6
71.01328	4.7
71.04981	12.2
73.02912	15.1
77.03912	3.1
78.21813	2.8
79.05488	83.4
81.03413	54.5
81.06579	6.3
81.07048	100.0
82.10684	2.8
83.04971	20.5
83.08615	20.0
85.02895	38.1
85.06546	7.1
87.04460	8.1
91.05472	76.2
93.07034	88.5
95.04961	25.6
95.08601	64.5
97.02885	26.8
97.06518	13.8
97.10181	9.2
99.04462	19.3
99.08080	4.5
101.02368	4.4
103.03937	9.4
103.05466	6.3
105.07021	69.3
107.04948	7.4
107.08586	51.8
108.53983	2.9
109.02875	34.0
109.06507	13.2
109.10139	25.9
111.04442	14.2
111.08060	6.2
115.03928	4.3
115.05439	4.8
116.06260	3.2
117.07004	38.0
119.04974	3.5
119.08575	56.4
119.09361	4.4
121.06493	14.8
121.10134	36.2
123.04430	7.0
123.08112	8.0
123.11714	10.5
125.09621	7.0
127.03914	33.5
128.06223	8.2
129.05481	14.6
129.06984	22.5
130.07828	3.7
131.08557	42.6
133.06490	11.5
133.10121	36.8
135.08083	8.1
135.11674	22.4
137.05986	4.1
137.09627	7.4
137.13263	5.6
139.11140	3.3
141.07007	8.1
142.07777	4.9
143.08557	26.8
145.04955	8.7
145.06454	5.1
145.10107	38.3
147.08049	10.0
147.11681	29.4
147.57622	2.6
149.05968	2.8
149.09624	9.0
149.13281	8.9
151.07593	4.8
151.11124	3.3
153.06999	3.6
155.08540	13.2
157.06532	4.9
157.10091	19.5
159.08015	6.3
159.11673	29.0
161.09628	6.5
161.13182	14.8
163.07611	3.2
163.11139	4.6
163.14803	4.0
165.07043	3.7
167.08528	5.4
169.10155	9.4
171.08032	5.1
171.11646	23.4
173.09558	6.8
173.13257	22.3
175.11232	7.5
175.14885	6.3
177.12794	5.6
181.10098	4.4
183.06506	10.1
183.08040	5.9
183.11665	9.5
185.09654	6.5
185.13271	16.8
187.11134	3.8
187.14844	10.3
189.12790	6.1
194.10712	2.8
195.11684	6.8
195.48595	3.2
197.13271	8.3
199.11197	7.3
199.14777	10.0
201.07487	3.9
201.12711	5.6
201.16350	4.5
204.99785	2.9
207.11719	3.6
211.14914	6.2
213.12665	4.7
215.14389	3.6
221.13297	3.0
223.14682	4.4
241.19438	3.4
243.20984	3.1
245.15482	3.1
255.20985	3.0
259.20633	8.2
261.22076	11.9
271.20868	3.8
273.22131	8.6
275.23669	3.2
285.22119	4.8
287.23700	4.7
291.23077	3.5
297.22107	4.1
301.21613	3.4
303.23044	7.8
305.26691	2.9
313.21625	5.0
315.23349	9.2
327.23169	7.9
335.25977	4.5
339.23230	6.2
341.24707	7.0
345.24078	10.3
351.23163	12.7
357.24301	3.4
359.25690	5.4
369.24265	21.7
375.25299	3.1
387.25223	14.3
389.26837	3.1
405.26675	4.0
408.78375	3.2
425.26700	4.1
431.27966	3.6
443.27881	26.4
449.28558	4.1
461.28882	38.0
479.30069	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53213	3.5
51.22319	4.3
53.03933	16.2
55.01866	10.7
55.05519	41.6
57.03238	3.9
57.03439	40.7
57.07069	7.9
59.14078	4.2
65.03954	6.9
67.05509	87.2
69.03432	51.1
69.07076	30.2
70.96926	10.6
70.97276	4.5
71.01334	6.7
71.04993	21.5
71.67788	4.8
73.02927	7.9
79.05498	78.6
81.03419	43.2
81.07054	100.0
83.04980	13.8
83.08617	13.8
85.02913	21.2
87.04472	6.4
91.05486	78.3
93.07048	87.0
95.04443	4.7
95.04953	24.1
95.08605	73.7
97.02887	28.1
97.06532	8.7
97.10164	9.1
99.04453	11.7
103.03949	12.5
105.06377	7.3
105.07040	73.9
107.04935	10.0
107.08598	47.9
109.02885	21.7
109.06516	14.7
109.10158	32.0
111.04465	7.9
111.08103	6.0
111.39179	4.9
113.05972	5.0
115.03890	5.5
115.05418	8.3
117.07016	37.6
119.08582	52.0
121.06467	8.9
121.10148	36.1
123.04430	6.3
123.08099	8.6
123.11713	13.1
127.03899	24.7
128.06233	6.9
129.05553	6.2
129.06976	31.1
131.08583	54.1
133.06508	9.6
133.10147	37.6
135.08057	12.3
135.11714	25.2
141.06975	8.8
142.07822	9.8
143.08542	29.6
145.06496	18.0
145.10120	36.7
147.08066	13.1
147.11688	27.5
149.13260	13.4
155.08511	7.9
157.06465	7.5
157.10107	22.7
159.08044	9.7
159.11684	24.3
161.09668	9.3
161.13229	14.5
163.07501	5.1
163.14865	5.5
167.08566	7.5
168.53410	4.6
169.10120	12.3
171.08049	5.9
171.11687	18.0
173.09659	9.8
173.13289	19.7
175.11208	10.2
175.14792	6.7
177.12802	5.7
181.10146	6.2
183.06561	6.2
183.11729	16.1
185.09689	6.0
185.13268	19.3
187.14859	10.0
189.12704	7.4
191.10576	5.5
191.42793	5.2
195.11728	8.4
197.13249	9.5
198.91327	4.2
199.11218	9.6
199.14975	5.4
200.55458	4.6
201.12730	7.0
202.25323	4.6
209.13295	5.1
211.14926	7.3
221.13239	4.8
257.15326	6.7
259.20673	6.3
261.22144	11.1
267.17462	4.7
273.22101	5.9
283.20593	5.5
301.21463	7.1
327.23227	12.6
339.23026	5.9
341.24838	9.3
345.24100	7.3
351.23340	16.9
357.24289	6.9
359.25818	5.4
369.24319	33.7
370.25043	5.3
387.25284	26.3
389.27066	5.7
419.27829	5.9
431.28116	6.2
443.27878	21.9
461.28922	43.1
479.29987	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10820	2.4
53.03941	12.7
55.01863	16.4
55.05508	40.3
57.03432	49.8
57.07058	4.2
61.02914	4.8
65.03920	6.2
65.27798	2.6
67.05499	100.0
69.03428	78.4
69.07066	28.6
69.51011	20.8
71.01337	8.7
71.01688	2.1
71.04974	10.6
73.02907	15.1
75.04453	2.9
79.05486	78.4
81.03413	63.1
81.07051	97.4
82.38126	2.3
83.04967	16.6
83.08607	16.1
85.02896	39.0
85.06484	2.6
85.84576	2.2
87.04443	9.6
90.21021	2.4
91.05470	70.7
93.07035	85.1
95.01299	4.1
95.04954	24.9
95.08597	63.3
97.02895	27.5
97.06510	9.1
97.10142	8.3
98.20699	3.1
99.04440	19.3
101.02388	6.8
103.03938	15.4
103.05453	5.2
105.07027	70.0
107.04945	11.6
107.08592	40.9
109.02867	32.2
109.06532	11.2
109.10147	24.2
111.04432	7.8
111.08054	7.4
111.11699	2.6
115.03908	5.8
115.05417	5.1
117.05486	3.0
117.07020	37.4
119.07793	4.1
119.08578	47.6
121.06477	11.3
121.10137	31.1
123.04411	6.3
123.08049	7.8
123.11697	6.1
123.51569	2.4
125.09597	5.4
127.03920	31.4
128.06252	5.0
129.05450	10.3
129.07002	25.9
130.07745	3.5
131.08560	47.1
133.06488	10.2
133.10115	33.2
135.08040	6.7
135.11671	19.2
137.05954	3.7
137.09633	6.0
139.11241	2.6
141.06969	9.1
142.07756	3.7
143.08562	22.6
145.04973	10.5
145.06439	8.0
145.10107	39.4
147.08035	9.1
147.11685	27.1
149.05963	2.4
149.09627	8.1
149.13248	12.3
151.07549	2.9
154.07767	2.8
155.08504	13.2
157.06454	4.3
157.10127	16.7
159.08011	6.8
159.11687	26.8
161.05956	2.7
161.09592	8.8
161.13240	17.8
163.11194	4.7
163.14793	4.5
165.07002	3.0
167.08571	5.7
169.10175	11.2
171.08040	4.4
171.11674	12.5
173.09596	6.5
173.13251	19.8
175.07462	2.7
175.11186	5.4
175.14793	7.2
177.12764	4.5
179.08502	3.9
181.10075	7.3
183.06506	8.3
183.08005	2.8
183.11668	8.9
185.09644	4.4
185.13269	11.2
187.11179	6.9
187.14774	10.3
189.12704	7.0
195.11633	3.1
197.13278	7.0
199.11104	3.5
199.14763	8.8
201.07578	6.9
201.16347	6.3
203.14307	4.7
211.11154	2.8
211.14827	3.6
213.16365	4.4
219.13812	5.3
223.16719	2.3
225.16258	2.8
227.14403	3.3
231.13698	3.9
239.14270	3.6
241.19553	3.1
243.21042	3.5
259.20523	8.0
261.22141	11.6
263.16183	2.7
271.20596	3.3
273.22003	8.7
277.21735	2.8
285.22141	6.5
297.22025	3.1
301.21588	6.3
303.23151	8.1
307.28171	19.3
315.23151	7.2
323.23425	4.0
327.23087	8.1
335.25632	5.5
341.24689	10.8
345.24191	7.5
351.23062	10.0
357.24335	3.9
359.25818	3.8
369.24127	22.6
377.26471	2.9
387.25275	16.0
405.26599	3.7
419.28204	3.1
443.27866	18.4
449.28867	4.0
461.29013	32.0
479.30063	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29118	0.8
55.05518	0.9
58.99863	1.7
63.38518	0.8
67.05510	1.9
69.03412	1.0
69.07062	1.8
69.31730	0.9
69.32067	9.8
73.41695	0.8
77.00912	7.2
79.05503	2.0
81.07042	4.7
83.08614	1.3
91.05478	2.4
93.07054	2.1
95.01946	4.7
95.04952	1.4
95.08620	3.0
97.10231	1.3
98.44525	0.9
105.07029	2.5
107.08578	1.1
109.06528	1.3
109.10167	0.9
114.61169	0.8
119.08578	1.7
121.10143	2.0
123.11766	1.0
127.03882	1.0
133.10143	1.5
137.05998	0.9
141.03972	2.4
143.05571	1.2
149.06039	1.1
153.03952	0.8
155.05540	2.5
157.03516	1.0
159.05008	4.5
161.06578	3.4
163.04018	0.9
163.07530	1.6
169.07108	3.8
169.10759	1.9
171.04936	1.9
173.06621	8.8
175.08087	1.2
187.04546	1.3
187.08173	11.5
189.05972	1.1
191.07637	2.9
195.08684	4.9
195.12413	1.3
196.08382	1.1
197.10229	7.2
199.08168	1.6
201.06075	2.8
201.07683	3.3
201.09526	1.0
203.09148	1.7
205.05559	2.4
205.09175	1.9
207.12241	1.1
211.07994	1.0
213.09723	13.3
215.09258	1.6
215.11226	10.0
219.06984	5.7
219.08980	1.3
221.10223	4.4
223.11797	2.5
225.09764	1.4
225.13310	8.0
231.10794	2.6
233.10165	4.1
237.09821	1.6
239.11314	14.3
243.14433	16.6
251.11278	61.8
252.11569	1.6
253.08939	1.0
257.12347	8.4
261.15540	2.6
269.12347	100.0
270.12665	2.1
274.13028	4.2
287.13403	61.6
288.13593	1.7
292.13937	5.9
310.15103	2.7
313.20782	0.9
392.47830	0.9
435.25986	2.5
461.17896	0.7
461.23849	21.5
479.24896	84.1
480.25201	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.7
55.05512	5.2
67.05496	7.9
69.03426	12.5
69.07058	7.7
70.21781	2.2
70.83658	4.1
70.83993	3.2
72.05235	2.2
78.94057	2.4
79.05495	8.9
81.03410	11.5
81.07056	15.8
83.08628	3.1
85.02894	11.3
85.06515	6.0
87.00833	6.2
91.05490	10.0
93.07063	14.3
94.07342	3.5
95.04969	7.2
95.08611	18.0
97.02901	7.1
97.10138	4.6
98.97588	2.7
99.04443	6.7
99.08050	2.4
105.07048	10.9
106.07353	4.5
107.04982	5.6
107.08604	14.0
108.08859	2.8
109.02875	7.7
109.06555	7.0
109.10179	7.8
113.09637	4.1
117.07032	5.4
119.08585	8.6
120.08916	2.9
121.06509	7.4
121.10145	9.6
123.04449	2.5
123.08019	3.5
125.09657	6.9
127.03913	8.3
133.10147	5.6
135.08061	6.7
135.11705	2.7
137.05962	15.6
143.08549	5.1
145.10150	4.1
147.08102	3.9
147.11734	6.7
148.12067	3.3
149.06007	11.4
149.13252	2.7
151.07559	7.4
157.10124	3.3
161.06024	4.7
161.13339	2.8
163.03880	4.8
163.07581	9.1
166.37987	2.5
167.07060	9.1
171.11713	4.4
177.12715	2.9
181.04941	6.0
189.12782	2.5
190.13126	2.8
194.21747	2.6
213.16385	3.9
217.12283	3.7
218.12689	9.1
231.13641	6.6
235.13377	7.2
236.13582	20.1
251.11378	4.4
253.14378	3.3
254.14740	6.5
260.23453	2.6
269.12302	21.2
289.05383	3.4
299.12781	6.1
354.11584	4.0
393.18927	11.0
435.19904	44.6
436.20120	3.3
460.30667	2.8
479.18887	100.0
479.29642	4.6
480.19308	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89397	1.1
53.03941	1.4
55.01864	1.6
55.05497	2.7
57.03442	1.6
67.05495	3.7
69.03415	4.6
69.07072	2.9
70.17602	4.0
71.04989	1.5
73.02908	1.4
79.05488	7.1
81.03403	2.9
81.07059	7.7
83.04992	1.2
85.02908	9.1
91.05480	5.2
93.07044	4.7
95.04990	2.0
95.08633	2.6
97.02898	2.4
97.06514	2.2
103.05449	4.5
105.07017	16.7
107.04976	2.0
107.08572	2.3
109.02849	2.6
109.06497	1.4
109.10194	3.2
119.08531	1.5
121.06514	1.5
121.10151	2.0
123.04465	1.3
123.08047	1.3
125.02364	1.5
127.03882	2.4
128.06221	1.5
129.06927	1.4
131.04955	2.2
131.08586	2.4
133.06503	4.5
133.10161	2.0
135.08095	2.1
135.11722	1.6
137.06010	1.9
137.09706	1.2
143.08681	1.5
147.11642	2.1
149.05984	5.0
149.13193	1.5
151.07498	1.8
161.06023	1.9
163.03922	11.8
163.07536	100.0
164.07906	1.9
174.06741	1.6
175.07494	2.6
177.09122	1.3
181.05049	12.6
181.08583	82.0
189.09111	12.8
207.10156	9.3
281.08215	1.8
299.09384	2.9
299.12708	22.6
313.06998	4.9
317.13831	5.6
432.66800	1.3
435.16339	2.5
461.17996	4.6
479.14523	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51392	3.6
64.92319	2.7
65.77537	2.6
69.34179	30.1
69.34511	6.1
79.05517	3.1
80.91142	2.8
81.07043	4.9
85.02940	3.4
103.05477	6.4
105.07020	10.7
121.06482	4.3
124.84360	2.9
128.82216	3.2
133.06479	3.7
149.06001	20.2
151.07578	3.4
163.07538	100.0
164.07851	2.8
181.08588	87.0
181.10201	4.5
189.09036	4.5
207.10115	2.9
267.73944	2.9
291.11563	3.4
299.12619	8.8
299.92331	3.2
317.13730	5.3
323.12692	3.9
341.14087	3.3
388.64136	3.3
389.17349	2.8
439.01581	3.3
447.88007	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1546
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
51.26622	0.8
53.03931	1.0
55.05515	1.7
57.03413	1.8
61.02919	0.9
67.05498	2.4
69.03431	7.9
69.07071	2.3
70.06599	3.1
70.33902	1.7
70.34293	2.6
72.08160	1.3
72.76323	0.9
73.16996	0.9
79.05498	3.4
81.03413	3.4
81.07057	4.0
84.08160	1.5
85.02901	10.7
85.06538	0.9
86.03200	1.0
86.09723	4.1
87.04430	0.9
89.77718	0.9
91.05474	2.3
93.07048	2.6
95.04955	2.2
95.08604	2.6
96.08152	1.1
97.02903	3.0
105.07024	1.3
107.04971	3.4
107.08547	1.2
109.02862	2.2
109.10176	2.1
110.79623	0.9
111.08104	1.1
119.08606	1.2
120.08118	2.1
121.10164	1.7
123.04434	1.5
127.03909	3.3
133.06511	1.2
133.10187	1.1
135.04413	1.2
136.07574	1.1
137.05966	2.2
145.02914	1.2
147.04366	1.5
151.07587	1.5
161.05980	1.0
163.03906	95.9
164.04314	1.7
181.04956	100.0
182.05296	2.5
197.11746	1.6
203.31400	0.8
211.11235	0.9
246.14946	1.4
246.65167	1.5
261.07709	1.0
262.25281	1.5
263.25662	2.1
280.26245	2.3
281.08118	9.1
281.26581	2.5
298.27487	2.3
299.09100	13.8
299.15884	1.2
299.27740	2.4
316.28439	3.4
317.10156	14.6
317.13818	1.0
317.28775	2.8
478.33597	7.3
479.06244	1.1
479.34033	15.2
500.70367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1545
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
53.03935	0.7
53.97859	0.3
57.03451	0.4
59.66175	0.3
61.02943	0.7
65.54472	0.3
69.03432	3.8
69.55579	2.0
69.56002	0.7
70.52401	0.3
71.04980	0.4
73.02892	0.3
76.89751	0.3
77.03915	0.5
79.05488	2.0
81.03419	1.5
81.64902	0.4
85.02906	6.5
89.03916	0.7
91.05466	0.3
95.04973	0.9
97.02909	1.9
99.04472	0.3
107.04924	2.2
109.02867	0.5
110.18483	0.4
121.44624	0.3
127.03916	1.2
135.04420	0.7
145.02829	1.1
145.04959	0.6
148.36101	0.3
153.06984	0.3
161.06029	0.4
163.03905	100.0
164.04225	1.8
181.04956	97.6
182.05304	1.8
213.05484	0.7
281.08078	10.7
282.08521	0.6
299.09122	15.5
317.10208	16.5
318.10406	0.5
461.13995	0.4
479.19214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1544
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
53.03943	0.7
55.01874	0.6
55.05509	0.8
55.45761	0.4
56.05021	0.4
57.03429	0.5
57.04131	0.4
61.02929	1.2
65.03946	0.7
67.05505	1.2
69.03431	5.9
69.07071	0.7
69.28878	0.5
69.29194	5.3
70.06598	2.3
71.04993	1.1
71.31315	0.5
71.31989	0.5
72.08131	0.6
73.47124	0.6
79.05502	3.4
79.06196	0.4
81.03439	1.7
81.07077	2.2
82.07404	0.7
83.04979	1.1
84.04496	0.6
84.08152	1.2
85.02907	5.8
85.06565	0.5
86.09712	1.7
89.03917	1.2
91.05486	1.8
93.07056	1.3
95.01337	0.7
95.04979	1.4
95.08633	1.1
97.02891	2.5
98.21470	1.0
99.04456	0.9
103.05473	0.5
107.04943	3.3
107.08594	1.1
109.02897	1.2
109.06563	0.5
109.10175	0.7
111.03127	0.4
111.04380	0.8
119.04938	0.6
119.08543	0.9
119.13570	0.5
120.08120	1.0
126.09151	1.5
127.03930	1.4
133.10068	0.8
133.65868	0.5
135.04405	1.6
135.08049	0.6
136.07542	0.8
137.02362	0.6
137.05991	1.6
145.02858	1.6
147.04410	1.0
151.03918	0.6
163.03908	100.0
164.04277	1.5
167.07048	1.1
168.07375	0.7
179.07085	0.6
181.04959	99.9
182.05328	2.0
197.08098	1.1
197.80585	0.4
214.11624	0.7
281.08084	9.6
288.12149	1.0
297.26123	0.9
298.26776	0.6
299.09137	15.8
314.27054	0.7
315.27109	1.4
316.27820	1.1
317.06622	1.1
317.10187	13.0
317.28409	0.8
443.14584	1.0
456.52899	0.6
461.14999	1.8
467.26477	0.5
478.33243	2.3
479.33609	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07402	12.3
61.75606	12.3
71.56741	13.9
71.57104	14.9
82.83336	14.3
85.04343	13.4
136.93999	56.8
142.97601	15.1
148.94028	21.4
166.95091	44.3
170.70003	13.4
182.19359	13.0
196.96051	13.2
256.97995	17.8
336.94119	13.6
380.66745	13.3
381.07913	100.0
419.03497	51.0
447.06964	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.4
55.01855	3.0
55.05502	3.2
57.03425	4.1
61.02914	2.8
67.05497	3.6
68.76380	1.3
68.99764	2.2
69.03429	24.5
70.06563	3.8
71.04982	3.6
71.34254	3.2
73.02910	1.8
79.05473	6.2
80.17480	1.4
80.64974	1.4
81.02979	2.2
81.03413	24.2
81.07043	3.0
82.35171	1.4
83.04962	5.5
84.08142	1.3
85.02901	32.3
86.09671	1.6
87.00823	9.4
93.07006	1.7
95.04970	3.9
95.08616	2.0
97.02899	8.8
99.04455	9.3
101.02409	1.6
105.01848	3.8
107.04932	4.0
109.02877	21.0
109.10153	1.7
110.56611	1.7
111.04427	3.7
115.03919	1.7
120.08069	2.4
123.04467	1.8
127.03907	53.3
135.04419	1.3
137.27521	1.5
145.04919	4.2
147.04390	2.5
163.03896	100.0
167.07028	2.0
169.04854	2.2
181.04941	90.4
189.03992	3.4
195.10225	1.9
196.10478	3.0
213.03937	5.5
216.02736	1.5
231.05032	4.8
235.06035	1.7
262.25293	3.9
273.06177	2.6
280.26340	3.8
281.08124	9.6
281.26791	2.1
298.27206	4.6
299.09137	16.0
299.28030	1.9
316.28339	5.9
317.06815	2.6
317.10184	13.1
317.25287	1.9
317.28772	2.3
432.08005	1.4
461.09344	6.5
461.14981	1.7
478.34113	12.4
479.16394	1.9
479.34320	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1548
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
53.03933	1.4
55.01863	1.1
56.85413	0.8
57.03417	1.2
67.05494	1.7
69.03429	6.3
69.07065	0.9
69.42943	4.0
69.43369	2.9
71.05000	1.1
79.05495	4.4
81.03413	5.5
81.07063	1.6
85.02902	8.3
86.09673	1.0
91.05460	1.1
93.07000	0.8
94.06870	0.7
95.04973	1.7
95.08601	1.9
97.02870	2.9
99.27422	0.7
107.04922	2.5
107.08562	1.3
109.02823	1.1
109.10132	1.0
110.44912	0.7
111.73064	0.9
119.08533	0.9
126.84231	0.7
127.03907	2.1
135.04356	1.0
135.11691	0.8
145.04907	1.6
147.04395	1.6
160.87593	0.8
163.03893	91.6
164.04166	1.4
173.06012	1.1
181.04948	100.0
182.05336	1.0
193.12251	1.3
227.12628	0.9
239.07094	0.9
262.76953	0.7
267.16037	0.9
279.66214	0.9
281.08090	10.1
281.26822	1.3
283.09616	1.1
283.15311	1.4
299.09161	14.4
300.09518	1.0
301.10611	2.2
317.10184	9.9
317.21106	0.9
416.30505	0.9
478.33853	1.2
479.19101	0.9
479.26917	0.8
479.33926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01873	0.9
55.05500	3.1
56.05034	2.1
57.03419	2.7
58.06576	1.4
61.02915	2.9
67.05502	10.4
69.03424	9.7
69.07073	3.0
70.06596	6.6
70.46753	1.2
70.47160	1.9
71.04974	1.6
72.08159	0.7
72.68297	0.6
73.02908	2.8
74.06071	2.5
79.05490	4.3
81.03407	2.8
81.07049	9.9
83.01325	0.6
83.08648	0.8
84.08145	4.6
85.02897	14.7
87.04468	2.3
91.03944	1.2
91.05458	0.8
93.07044	4.5
95.04941	0.7
95.08601	6.7
96.08142	2.2
97.02890	5.4
98.09695	3.8
99.04411	1.1
101.02345	0.8
103.03954	0.9
105.07027	1.6
107.08598	2.3
109.02906	1.1
109.10157	2.5
110.09676	1.6
121.10136	2.0
124.11230	0.9
127.03887	3.2
135.11710	0.9
136.99788	0.6
145.04996	1.0
149.13129	0.7
169.92416	0.6
182.13971	0.6
198.62363	0.6
250.25349	1.6
252.23180	2.0
262.25311	3.3
280.26334	31.6
285.03949	1.7
298.27386	25.6
302.04294	0.9
316.28439	63.4
317.06589	5.6
317.28802	1.4
346.68613	0.7
358.29568	1.1
460.32770	2.0
478.33731	100.0
479.34378	3.8
481.04193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16430	0.7
53.03949	1.9
55.01869	1.7
55.05504	4.9
56.05036	2.2
57.03430	3.5
58.06580	0.9
60.49632	0.7
61.02932	2.6
65.03926	1.0
67.05501	11.3
69.03425	10.9
69.07076	6.4
69.38178	0.7
70.06589	10.0
71.04994	1.8
71.57381	0.8
71.57776	1.9
72.08146	2.0
73.02917	1.9
73.06585	0.8
74.06079	3.0
79.05495	9.2
81.03420	4.6
81.07057	13.8
82.06580	2.0
83.08610	2.2
84.04503	4.9
84.08151	4.3
85.02902	18.4
85.06535	1.0
86.09714	3.0
87.00861	1.0
87.04472	2.8
91.05482	2.7
93.07033	8.0
95.01350	0.8
95.04955	1.4
95.08595	10.4
96.08135	3.3
97.02887	7.4
97.08972	0.8
98.09714	3.4
99.04475	2.4
105.07037	2.6
106.17656	0.7
107.05006	2.0
107.08552	4.3
108.08080	1.1
109.02908	3.3
109.06566	0.9
109.10171	2.2
110.06059	2.4
110.09719	1.9
114.09174	3.5
119.08600	2.9
120.08102	1.2
121.10149	3.1
123.04434	1.2
124.07587	4.0
124.11212	1.1
127.03925	5.2
133.10167	1.4
135.04506	0.9
135.08163	0.9
135.11740	1.5
136.03958	1.0
137.05963	1.1
138.05505	0.9
138.09161	5.4
138.12811	2.3
145.02800	1.0
145.04948	0.9
149.09734	0.8
152.10736	1.5
155.19037	0.9
163.03902	67.2
166.83363	0.8
167.07048	1.0
173.38519	0.7
179.90948	0.8
181.04953	72.0
181.08426	5.3
195.10269	1.2
196.17050	1.5
212.10690	4.3
214.18170	1.2
234.22163	1.0
236.20036	4.2
236.23753	1.8
238.18066	1.4
252.23242	2.8
254.21080	2.1
262.18069	2.3
262.25299	30.0
262.28006	1.6
270.24326	1.1
280.19473	1.3
280.23221	1.4
280.26315	30.2
281.08093	7.9
298.08575	1.1
298.20264	2.2
298.24078	1.3
298.27374	33.0
299.09103	13.5
299.11911	0.9
303.05377	0.8
316.21503	6.5
316.25003	2.1
316.28424	42.5
317.10178	9.1
317.28925	1.2
358.29666	1.4
460.32968	2.1
478.33902	100.0
479.34283	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
60.04515	0.5
66.08595	0.5
70.06583	0.5
70.51981	1.3
70.52330	0.4
79.05472	0.6
82.85034	0.4
84.08130	0.5
85.02903	0.7
95.04959	1.6
107.04950	100.0
108.05276	1.2
156.37761	0.4
170.19186	0.4
315.29504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2924
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.28492	1.6
55.05506	14.9
57.03430	8.3
57.07061	2.1
62.06088	2.5
66.54278	1.5
67.05505	30.0
69.07069	19.3
69.95648	9.1
71.05002	2.1
79.05497	7.4
80.54224	1.6
81.07052	32.9
83.08615	6.7
91.05479	5.4
93.07032	7.7
95.08598	21.3
97.06541	1.7
97.10157	4.4
98.06026	4.2
98.98459	1.8
105.07030	3.9
107.08617	4.5
109.10172	7.3
119.08528	4.0
121.10136	3.8
123.11694	4.0
133.10141	1.7
181.96281	1.7
189.61179	1.7
203.28903	1.5
208.17053	1.6
306.27890	56.5
307.28152	2.4
337.27347	100.0
338.27563	5.8
387.37253	1.6
404.81015	1.7
456.41571	1.9
472.14078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.4
57.03432	4.3
61.22096	2.9
62.06090	33.6
67.05502	33.8
69.07066	13.1
69.87909	9.8
69.88343	8.9
79.05499	8.5
81.07043	33.1
83.08611	6.0
91.05490	6.9
93.07058	11.3
95.08601	21.8
97.10198	3.8
98.98452	6.7
100.53555	2.9
105.07029	3.7
107.08604	5.1
109.10147	6.3
109.89923	3.1
119.08586	6.1
121.10137	4.5
123.11676	4.5
147.11702	3.0
155.01077	3.0
173.02196	3.7
216.06340	3.6
263.23727	6.9
294.80280	2.8
306.28046	13.6
337.27350	100.0
479.80161	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14945	1.4
51.02398	1.5
55.01854	2.4
55.05514	13.3
57.03428	2.0
57.07057	4.8
65.03928	2.7
67.05499	57.7
69.02431	1.7
69.07058	12.8
70.83781	3.0
70.84148	3.4
71.04973	3.3
79.05488	49.0
81.06586	2.4
81.07053	40.9
83.04984	2.4
83.08616	7.8
85.06526	2.4
90.62661	1.4
91.05473	67.8
93.07039	61.5
93.07626	3.2
95.04982	8.4
95.08601	35.4
97.06515	2.4
97.10171	3.3
99.08064	2.8
103.05460	2.0
105.07023	62.9
107.07867	2.9
107.08582	37.1
109.06505	4.2
109.10142	30.8
111.08111	2.3
117.06993	17.7
119.08584	55.7
121.10130	25.2
123.08040	3.2
123.11743	1.9
128.06232	2.8
129.06982	12.0
130.07825	2.0
131.08546	21.8
133.10123	43.5
135.08029	2.5
135.11688	28.2
137.09575	4.5
142.07748	1.9
143.08557	10.4
145.10129	19.2
147.11684	41.5
149.09593	2.2
149.13245	18.5
155.10661	3.8
157.10162	10.4
159.11678	26.4
161.09589	2.5
161.13240	28.9
163.14767	4.5
171.11694	13.8
173.11720	22.8
173.13252	12.3
175.14816	13.7
177.12772	2.0
185.13248	12.1
187.14857	3.1
199.14819	7.0
201.16386	1.9
213.16290	2.4
231.17528	2.6
231.21031	8.4
241.19516	32.0
257.18924	4.3
259.20560	100.0
260.20828	4.2
268.52820	1.7
275.20062	3.7
277.21631	10.2
315.53366	1.5
395.29236	2.5
413.30426	4.1
431.31512	2.2
459.30927	7.2
477.32373	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01871	1.6
55.05511	4.9
55.19491	0.6
57.03421	1.1
67.05170	1.2
67.05500	12.1
69.03409	3.5
69.07051	2.8
69.78163	4.5
70.39568	0.6
71.04989	0.9
79.05482	5.7
81.03413	3.2
81.07055	12.5
83.04964	2.1
83.08615	2.2
85.02893	2.2
85.06540	1.1
86.09676	1.9
91.05475	16.7
93.07038	6.4
95.04967	4.9
95.08598	15.4
96.08942	0.8
97.02874	0.9
97.06509	1.7
97.10155	1.2
99.08076	1.3
104.10719	1.9
105.07027	6.4
107.04960	1.8
107.08572	5.0
109.02868	1.2
109.06528	1.7
109.10153	11.6
114.00875	0.6
117.06998	1.6
119.08553	2.9
121.02782	1.1
121.06502	1.9
121.10148	2.8
123.04439	0.7
123.08068	9.8
123.11713	5.0
124.99948	1.0
125.09618	1.2
127.03877	1.2
128.06183	0.9
129.07010	1.4
131.08566	1.8
133.06496	1.1
133.10127	3.4
135.04388	1.1
135.08041	2.7
135.11659	1.6
137.09628	3.8
137.13240	0.7
138.09940	0.7
139.07491	1.0
139.11209	0.9
141.06989	1.2
143.08601	0.7
145.06493	0.8
145.10106	1.3
147.08025	1.9
147.11697	1.7
149.06015	1.4
149.09647	1.6
149.13275	1.5
149.76743	0.7
151.07535	100.0
152.07866	1.9
155.10661	1.7
157.06422	0.7
157.10106	1.1
159.08043	0.9
159.11687	1.4
161.05998	1.5
161.09583	2.6
163.07533	6.5
163.11153	0.9
163.14815	1.0
165.06902	1.0
165.09109	8.7
166.09465	4.7
167.07094	1.2
167.09703	1.4
173.09593	1.1
173.13281	1.3
175.11211	3.3
177.09135	2.4
179.06987	1.3
184.07372	1.9
187.07527	1.1
187.11098	1.2
189.09087	0.9
189.11250	1.1
189.12779	2.2
191.10628	6.9
193.12195	0.8
199.07518	0.8
199.11143	1.1
201.11212	0.7
203.10681	1.4
205.12253	4.8
221.13327	0.7
227.12749	1.3
231.13805	0.9
233.15346	1.3
268.31235	0.7
293.24716	0.9
297.11035	1.6
303.19577	2.9
315.12289	1.1
367.22556	1.5
385.23691	1.3
395.29587	0.9
403.24841	1.1
413.30368	3.6
431.31671	0.9
445.41730	0.7
459.27411	2.3
477.27960	3.5
489.33136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.0
55.01874	14.5
55.05511	23.6
57.03432	9.0
57.07072	5.8
59.04992	3.1
61.02914	6.7
65.03943	4.7
67.05501	63.5
69.03425	31.4
69.07066	27.8
70.06590	6.8
70.91758	4.6
70.92063	3.6
71.04997	30.1
71.08614	3.0
73.02888	4.1
79.05489	35.6
80.70841	2.9
81.03412	15.8
81.06589	4.9
81.07053	82.0
83.04967	13.6
83.08615	16.1
85.02901	68.9
85.06538	91.7
86.04334	3.0
87.04472	5.3
91.05479	29.7
92.36496	3.1
93.07043	55.7
95.04957	15.1
95.08604	100.0
97.02878	17.8
97.06544	20.7
97.10161	10.6
99.04453	8.2
99.08099	8.7
99.38673	2.9
103.05524	3.5
105.07039	28.0
107.04922	3.5
107.08592	37.7
109.02882	13.8
109.06506	11.0
109.10156	55.5
111.08067	12.5
113.06009	28.9
117.07069	4.9
119.08606	25.8
120.08102	2.9
121.06493	5.2
121.10147	39.5
123.08051	14.7
123.11705	9.1
125.09617	8.5
127.03921	14.5
131.08556	13.8
133.10132	36.7
135.08032	8.3
135.11693	32.0
137.06001	6.2
137.09615	4.8
139.11136	4.6
141.09093	7.9
145.04938	6.9
145.10112	16.6
147.11707	27.0
149.06003	5.0
149.09616	5.4
149.13260	22.0
151.07545	20.8
151.11150	4.4
151.14780	6.5
157.10170	3.2
159.11710	12.3
161.06010	5.6
161.13281	14.5
163.07449	4.3
163.11246	4.8
163.14761	9.0
165.09094	10.9
165.12791	5.1
167.07112	4.3
173.09586	2.9
173.13281	8.0
175.14827	5.6
176.15181	3.1
177.16298	6.0
187.14809	7.4
191.10684	8.0
191.17979	4.1
193.15903	3.4
201.16418	3.4
203.17941	22.0
205.12250	6.7
211.16896	5.0
221.18909	9.1
231.21169	3.6
239.19983	3.9
243.21138	20.2
261.22125	15.9
267.23251	8.9
279.23111	42.5
297.11224	9.1
297.23944	17.3
301.11844	4.2
302.59619	3.5
315.12262	10.5
315.25195	55.0
362.69656	3.6
477.16068	3.5
477.32458	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
55.01853	12.4
55.05511	36.3
57.03419	16.0
57.97695	4.1
67.05500	62.2
69.03419	17.7
69.07072	31.8
69.65498	3.7
70.64352	11.5
70.64705	5.0
71.04992	9.6
73.02884	4.5
79.05486	54.8
81.02991	5.0
81.03417	60.6
81.06590	5.6
81.07053	97.4
83.04962	10.8
83.08625	26.2
85.02888	9.0
85.06555	7.8
91.05476	70.5
93.07041	57.2
95.04961	28.0
95.08590	33.2
97.02860	11.8
97.06518	12.1
97.10175	7.0
99.04460	8.0
103.03884	4.1
105.07022	70.1
107.04943	16.1
107.08569	36.6
109.06506	14.9
109.10136	17.4
111.08123	4.8
115.05423	5.6
117.07019	37.0
119.08572	51.3
121.06474	11.8
121.10147	25.0
123.04462	6.2
123.08039	10.2
123.11701	14.4
125.06021	4.6
125.09631	7.7
128.06169	12.2
129.06984	44.6
130.07776	6.7
131.08542	47.7
133.06482	9.5
133.10107	29.1
135.08072	8.0
135.11671	10.9
137.05963	6.6
137.09607	6.8
141.06989	18.2
142.07773	13.1
143.08565	30.5
145.06471	16.9
145.10109	36.7
147.07991	10.6
147.11656	31.4
149.09543	5.2
149.13251	6.6
153.07002	7.6
154.07701	8.5
155.08517	28.0
156.08023	4.1
156.09276	5.3
157.06476	9.4
157.10126	26.5
159.08072	14.1
159.11696	22.2
161.09601	4.8
161.13216	9.0
163.11180	10.4
165.06960	9.9
165.12726	15.1
167.07068	3.9
167.08530	16.8
169.06497	6.1
169.10104	33.2
171.08034	16.4
171.11682	25.9
173.09633	16.6
173.13295	9.9
175.11168	8.7
175.14731	5.3
179.08496	5.5
181.06410	5.8
181.10092	15.4
182.10918	7.5
183.08028	11.0
183.11667	26.6
185.09599	16.6
185.13255	13.6
187.11185	9.2
187.14784	6.3
193.12198	14.8
195.11671	18.3
196.08923	4.8
197.09673	6.9
197.13289	15.2
199.11157	11.7
199.14839	7.3
201.12784	8.0
203.14352	5.2
207.11812	5.0
209.09641	6.1
209.13312	13.8
211.11220	7.6
211.14809	9.9
213.12883	5.9
215.14252	6.1
219.00616	4.3
221.13263	5.2
223.11050	5.3
223.14771	7.2
225.12679	8.8
227.12598	7.2
227.14557	6.0
227.61778	4.5
229.12038	5.1
237.12625	5.5
239.10541	4.4
241.15793	5.2
247.63521	4.6
267.15906	10.3
271.20776	4.2
281.18954	4.7
313.21530	6.4
321.22351	6.5
325.21567	16.2
339.23029	17.9
343.22620	6.9
349.21460	16.5
357.24252	12.1
367.22586	41.9
385.23746	25.3
387.25055	8.8
399.25281	5.9
403.24597	9.5
417.26251	10.7
423.25092	6.2
429.26184	16.0
434.30103	5.3
441.26395	49.7
442.26282	5.5
459.27396	60.8
477.28345	100.0
478.28915	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38640	3.2
54.25115	3.1
54.65116	3.2
55.01880	21.6
55.05507	83.0
57.03424	12.1
64.67043	3.1
65.03936	8.1
67.05177	6.9
67.05503	91.0
69.03426	14.9
69.07065	39.9
70.48615	10.9
70.48967	4.1
71.04973	9.0
79.05489	95.6
79.73807	3.7
80.05850	3.8
81.03413	60.0
81.07048	100.0
83.04984	22.0
83.08620	40.4
85.02909	13.1
85.06525	9.6
91.05474	75.7
93.07035	72.4
95.04969	39.0
95.08591	61.1
97.06509	15.0
97.10154	57.1
99.04492	3.5
103.05465	6.9
105.07023	56.7
107.04947	43.2
107.08596	57.8
109.02879	4.2
109.06517	20.8
109.10148	29.8
111.04430	7.2
111.08067	17.5
111.11681	3.9
115.05413	5.9
117.07001	25.9
119.04929	5.7
119.08570	38.2
120.08081	3.4
121.06500	39.7
121.10126	31.4
123.04453	4.0
123.08058	21.8
123.11695	8.6
125.09612	42.8
128.06252	5.2
129.06981	28.2
131.04907	6.0
131.08563	32.2
133.06487	15.6
133.10143	22.0
135.04443	5.1
135.08029	17.9
135.11665	16.9
139.11208	4.8
141.06946	7.4
142.07773	5.3
143.08546	14.6
143.10689	3.6
145.06483	25.3
145.10103	20.6
147.04401	7.0
147.08046	12.5
147.11656	15.1
149.05997	5.1
149.09613	10.0
149.13275	11.5
151.07539	16.3
153.09071	9.9
153.12715	5.1
155.08600	8.8
157.06520	6.5
157.10065	16.7
159.08047	10.5
159.11670	13.5
161.05991	3.9
161.09631	8.5
161.13290	5.2
163.11122	18.8
165.12764	5.9
167.08696	4.1
169.10120	4.3
171.08098	9.8
171.11659	10.2
173.09644	8.9
175.06015	3.3
175.11192	11.7
179.08566	4.0
181.10086	4.4
183.08017	4.3
183.11656	3.8
185.09543	5.0
185.13240	6.2
187.11226	7.7
189.11209	26.6
189.12735	7.5
191.10648	6.5
193.12231	27.6
195.11765	6.4
195.13632	4.0
197.13275	5.6
199.11174	6.0
203.14415	5.6
205.12199	4.7
209.11551	4.6
215.14310	6.0
217.12238	5.0
219.13950	5.7
221.15240	3.7
223.13286	4.5
225.12724	4.4
227.12727	23.8
231.13728	5.4
233.15393	19.5
240.67140	3.3
241.14241	5.4
243.13634	5.1
255.13754	5.5
259.13385	5.0
261.14801	4.5
267.15915	15.1
273.14813	18.3
307.20401	3.9
339.23181	6.1
341.21100	7.7
349.21561	23.6
357.24295	12.6
367.22653	42.5
375.25003	5.7
385.23706	75.7
403.24890	29.8
433.25833	6.6
441.26349	10.4
459.27429	79.0
460.27731	6.4
477.28439	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44300	3.4
53.03927	7.1
55.01867	17.7
55.05506	69.6
55.36247	4.2
57.03429	14.1
57.07070	3.7
63.90025	3.3
65.03908	5.3
67.05499	70.9
69.03410	15.0
69.07067	25.1
69.11680	3.7
71.04962	6.4
79.05482	83.0
80.73040	3.6
81.03409	36.3
81.07041	70.9
83.04966	9.0
83.08607	39.4
85.02895	6.4
85.06532	7.8
87.11517	4.1
89.62014	3.9
91.05470	52.2
93.07037	43.5
95.04960	32.9
95.08603	37.5
97.06515	13.7
97.10157	57.2
98.00205	4.1
98.21541	5.4
105.07009	41.7
107.04955	46.4
107.08584	42.0
109.02885	5.8
109.06505	21.1
109.10127	26.9
111.04398	4.9
111.08076	6.3
113.05960	7.3
115.05427	9.1
117.06998	18.2
119.08561	37.4
121.06499	40.1
121.10147	22.7
122.48105	3.9
123.04414	4.6
123.08038	12.4
123.11719	4.8
125.09620	44.8
128.06215	3.7
129.06976	22.1
131.04880	7.4
131.08528	22.1
133.06477	15.6
133.10118	15.8
135.08031	15.7
135.11674	13.5
137.05978	7.1
137.09616	5.2
141.07043	4.8
142.07758	6.5
143.08557	14.2
145.06500	26.7
145.10118	16.2
147.04370	6.8
147.08028	14.8
147.11647	19.3
149.09616	9.0
149.13121	4.9
151.07516	6.3
153.09068	8.6
153.12767	3.8
155.08556	7.8
157.06459	7.8
157.10098	12.6
159.08043	14.1
159.11685	12.3
161.05963	5.2
161.09599	8.6
161.13254	4.7
163.11223	9.1
165.12708	4.9
169.10059	6.9
171.08035	7.1
171.11682	13.1
173.09602	8.3
175.11206	12.4
175.30655	3.9
177.12679	5.2
183.11644	5.0
185.13332	4.6
187.11177	7.8
187.14882	6.1
189.11192	33.9
189.12689	6.4
193.12169	21.4
195.11703	3.9
197.09543	5.9
197.13239	5.4
199.11185	9.9
203.14322	4.5
205.12207	5.5
211.13281	8.3
215.14264	11.1
217.12196	4.7
217.15842	4.0
223.11032	3.8
227.12781	14.2
231.13815	5.6
233.15228	19.6
235.13304	4.1
237.12524	4.4
241.14278	5.7
245.15347	5.6
249.14568	4.6
255.13678	5.8
257.15466	4.1
267.15799	6.4
273.14780	17.4
289.17874	4.6
291.15729	8.2
326.17456	5.2
339.23035	11.9
349.21494	18.8
357.24182	22.5
367.22647	60.4
385.23688	100.0
403.24652	32.3
441.26218	9.8
459.27368	65.4
477.17334	6.5
477.28384	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
55.01871	15.9
55.05516	35.5
56.96563	4.1
57.03439	18.0
59.05000	4.5
59.71439	3.8
65.03934	8.1
67.05501	49.2
69.03430	22.6
69.07069	25.5
69.91813	8.9
69.92239	14.3
71.01340	3.6
71.04971	7.2
71.64120	3.1
72.10515	3.2
73.02902	7.6
74.48211	3.5
75.04464	3.3
79.05492	43.2
81.03425	24.0
81.07056	56.5
83.04963	12.6
83.08613	16.1
85.02901	9.0
85.06525	5.0
91.05481	60.2
93.07047	52.8
95.04961	15.6
95.08601	39.6
97.02889	7.4
97.06524	7.7
97.10156	11.1
98.97571	5.7
99.04444	4.6
103.05453	5.6
105.07037	62.9
107.04945	11.4
107.08602	28.1
109.10157	13.9
111.04424	5.7
111.08055	5.7
115.05441	9.4
116.98637	3.7
117.07030	50.9
119.08582	38.6
121.06481	12.3
121.10146	15.1
122.41441	4.5
123.08065	5.3
125.09621	6.6
127.03894	4.6
128.06229	15.5
129.05521	7.6
129.07007	43.7
131.04897	3.9
131.08556	50.7
133.06497	9.6
133.10104	28.1
135.08034	8.9
135.11707	11.0
141.07021	20.2
142.07771	11.9
143.08565	39.1
144.09290	3.9
145.06487	23.4
145.10117	35.8
147.08041	10.5
147.11685	14.6
147.74075	3.5
149.09592	7.9
149.13245	7.3
149.56093	4.0
153.06990	11.0
154.07756	5.3
155.08548	40.9
157.06480	11.6
157.10120	38.5
158.99738	4.1
159.08061	15.9
159.11664	24.3
161.09619	9.0
161.13231	5.4
165.07014	11.0
165.09113	4.2
166.07750	3.3
167.08574	15.6
168.09364	5.5
169.06451	7.2
169.10130	34.2
171.08101	20.3
171.11679	26.0
173.09668	13.9
173.13264	14.0
175.11150	4.6
175.14764	4.0
177.00798	3.9
177.12701	5.8
178.07919	3.9
179.08568	6.6
180.09343	7.7
181.10159	21.5
182.10863	5.4
183.08047	12.7
183.11685	27.0
185.09624	15.4
185.13249	18.4
187.11241	9.4
187.14854	6.9
193.10085	8.6
195.08022	6.6
195.11702	16.1
197.09610	12.9
197.13249	14.3
199.11212	11.5
199.14778	10.4
201.09181	3.9
201.12743	10.1
207.11761	7.8
209.09618	10.1
209.13295	9.2
211.11197	8.8
211.14816	10.4
213.12753	5.3
213.16258	4.2
215.14368	5.4
221.13272	5.8
223.11221	12.4
223.14848	7.6
225.12744	11.0
225.16451	4.5
229.12187	5.1
235.14890	5.0
237.12743	6.8
239.14331	5.7
241.19633	3.8
247.14803	3.5
271.20358	3.5
272.10788	3.3
277.21643	4.8
287.19925	4.2
291.19611	9.6
295.20523	9.5
307.20615	4.5
313.21512	7.6
321.22192	9.2
325.21646	17.6
337.21719	6.2
339.23218	6.5
341.20999	4.2
343.22772	7.4
349.21530	30.5
355.22754	6.3
357.24359	9.6
367.22723	54.4
375.25339	4.7
385.23758	37.5
387.25491	12.6
399.25381	4.8
403.24780	6.7
417.26309	13.8
423.25247	11.5
429.26270	18.5
441.26364	74.1
459.27472	65.3
477.28476	100.0
478.28452	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
55.01883	8.9
55.05510	33.2
57.03420	14.6
57.07088	4.1
61.02925	5.6
67.05500	55.8
69.03426	14.9
69.07070	20.7
70.56367	12.9
71.04986	7.7
73.02892	5.1
75.82299	5.3
79.05489	51.4
80.53007	4.0
80.95107	4.1
81.03420	22.9
81.07049	58.8
83.04975	11.2
83.08637	13.2
85.02901	5.4
91.05476	55.6
93.07041	42.5
95.00703	4.5
95.04946	21.2
95.08604	30.9
97.02887	6.1
97.06556	11.6
97.10151	8.4
98.97565	3.7
103.05454	4.7
105.07026	45.4
107.04935	15.8
107.08587	31.1
109.06531	5.5
109.10140	14.2
111.04415	4.7
115.05466	9.5
117.07013	45.1
119.08578	31.4
121.06478	10.8
121.10160	19.4
123.08123	4.7
125.05962	3.7
125.09613	6.3
128.06245	20.6
129.07008	46.5
131.04909	6.8
131.08566	42.6
133.06523	8.0
133.10139	18.1
135.08003	4.1
135.11722	11.4
139.07510	5.1
141.07004	26.5
142.07799	14.8
143.08575	40.7
145.06496	16.3
145.10127	26.7
147.08018	5.9
147.11711	15.7
149.05943	5.6
149.13309	7.4
153.06989	12.6
154.07780	6.6
155.08556	42.0
156.09361	7.1
157.06485	16.1
157.10147	27.9
159.08067	14.9
159.11697	25.7
161.09589	5.0
161.13261	8.3
163.11163	8.0
165.07043	11.1
167.08563	19.0
168.09389	7.7
169.10144	30.7
171.08083	14.5
171.11676	26.8
173.09673	14.5
173.13263	13.5
175.11073	6.1
179.08540	4.2
181.10098	24.3
182.10725	4.0
183.08121	7.2
183.11728	26.3
185.09685	10.5
185.13274	14.7
187.07494	5.1
187.11247	5.8
189.12694	5.4
193.10120	8.7
195.11691	15.6
196.08725	4.6
196.41299	3.8
197.09639	11.1
197.13316	16.6
199.11215	10.8
199.14832	5.6
201.12718	5.6
207.11688	7.8
209.09570	5.0
209.13307	13.7
211.11154	12.1
211.14839	6.9
213.12775	9.2
213.16386	5.0
219.11731	6.5
221.13202	6.6
223.11212	7.4
225.12785	8.4
233.13254	7.0
237.12712	6.5
251.14270	5.1
253.19601	3.8
257.18878	3.6
259.20688	4.7
271.20587	4.9
295.20697	5.0
297.22296	8.9
305.68304	4.0
307.20541	7.1
325.21631	17.6
337.21518	5.3
339.23123	16.9
347.22198	6.0
349.21274	22.5
357.24332	4.6
367.22672	39.7
373.23721	11.3
385.23740	26.7
387.25333	9.2
403.24622	7.7
417.26443	18.3
423.25186	9.9
429.26544	25.2
441.26422	74.0
441.32333	4.7
459.27316	61.5
477.28506	100.0
478.28323	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01866	3.7
55.05506	29.3
57.03435	3.4
57.07080	2.4
59.04989	4.3
62.70423	2.2
65.03941	5.5
67.05504	18.3
69.03426	24.1
69.07053	13.6
70.00736	3.6
70.01134	5.7
71.04974	4.8
73.02879	2.9
79.05476	7.8
80.43967	2.0
81.03423	11.1
81.07042	19.1
83.04974	26.8
83.08609	16.9
85.02904	24.3
85.06549	13.8
87.00812	7.5
91.05479	63.9
92.05811	24.3
93.06142	3.2
93.07027	14.7
95.04974	7.1
95.08585	16.3
97.02878	7.4
97.06515	3.4
97.10152	7.9
99.04448	4.7
99.08077	7.2
101.06002	3.6
105.01855	2.7
105.07015	9.0
107.04935	8.7
107.08589	20.4
109.02846	12.2
109.06525	4.9
109.09465	3.6
109.10156	48.0
111.08045	6.2
113.05998	3.7
115.07516	2.4
119.08561	10.4
121.06531	3.4
121.10122	7.8
123.04348	2.6
123.08089	2.3
123.11714	23.0
125.09614	14.5
127.03898	11.8
127.11201	15.6
131.04961	2.3
131.08545	3.5
133.10106	7.3
135.08061	3.5
135.11681	12.6
137.05956	2.9
137.09618	2.7
145.04922	3.2
145.06476	2.5
145.10126	2.5
147.11664	4.8
149.13254	8.9
151.07510	5.9
151.11148	6.5
153.12704	2.5
155.71275	2.5
159.02852	4.9
159.11644	3.8
161.05904	3.5
163.03934	5.1
167.06996	3.5
167.14297	21.1
169.12224	34.9
172.04012	2.1
175.14769	5.9
185.15376	17.0
191.03316	2.6
191.07071	2.4
193.15898	10.0
211.16922	92.9
213.12961	2.6
221.50394	2.3
229.17982	100.0
233.04520	2.6
250.11855	2.3
276.54440	2.6
293.08005	4.8
294.08408	2.9
295.08664	6.0
297.11154	4.2
311.09006	3.1
313.09598	2.8
315.12119	5.9
315.26730	2.5
335.09174	3.7
337.09851	10.9
346.67334	2.6
355.10703	2.8
367.22736	5.0
385.23547	8.9
410.60406	2.8
449.38559	2.4
459.27448	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1754
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
53.03958	0.8
60.09879	0.9
67.05494	1.6
68.99768	1.5
69.03418	2.0
69.07059	0.8
69.95879	2.1
69.96290	2.4
70.06577	0.7
71.04976	0.9
79.05523	2.1
81.03401	1.6
81.07053	1.9
85.02888	3.7
85.06521	1.0
87.57208	0.8
90.40959	0.9
91.05477	2.1
93.07046	1.0
95.04931	2.3
95.08598	1.9
97.02916	4.3
97.06547	0.9
103.05464	0.9
105.07012	2.6
107.04931	1.5
107.08648	1.0
107.43137	0.7
109.06519	1.3
115.05424	1.2
119.04925	2.4
119.08555	1.0
123.04427	12.7
128.06215	1.8
129.06978	3.0
131.05008	1.0
131.08620	1.3
133.06456	1.2
135.04385	2.0
135.08092	1.8
135.11649	0.9
137.06003	4.9
141.06949	2.0
144.05647	1.1
145.06430	1.8
147.04405	36.9
148.05115	1.3
149.05966	2.3
151.07533	2.8
157.06508	3.1
158.07300	1.3
159.04466	1.0
159.08005	2.0
160.05211	1.2
161.05864	1.3
163.03918	1.7
163.07536	15.5
167.08559	1.1
173.05954	3.2
175.07547	3.6
179.07042	1.1
181.08649	1.0
187.07533	23.7
188.08278	3.1
191.08507	1.5
202.07721	1.3
205.06525	0.9
205.08498	4.5
210.06789	1.7
211.07503	1.2
213.05409	0.9
219.08052	1.3
221.06105	1.1
223.07513	1.4
227.10657	3.0
236.08325	0.9
237.09135	4.0
238.09888	1.7
239.06969	2.0
240.07602	1.2
241.08585	0.9
241.12177	1.1
247.07375	1.1
248.08456	1.0
249.09079	2.2
250.06277	1.4
251.10730	1.2
252.07764	1.0
253.16954	0.8
254.09332	2.1
255.10207	1.2
265.08603	7.0
266.09442	4.4
267.06546	1.7
267.10138	3.8
268.07208	2.0
269.11649	7.2
279.10187	1.2
281.08078	1.6
282.08868	9.6
295.09473	1.0
297.11203	100.0
298.11609	3.2
315.12250	93.0
316.12579	4.1
321.11368	2.1
339.12128	2.4
350.50098	1.1
357.13275	1.6
357.93115	0.9
363.12299	1.5
477.17914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1387
Annotation	Scutellarein 6,7-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
55.05510	1.2
55.31103	0.2
60.24322	0.3
61.02900	0.4
65.03892	0.2
67.05504	1.3
68.97779	0.2
68.99786	0.5
69.03426	4.1
69.07029	0.5
70.06550	0.8
71.04984	0.3
71.58002	0.2
71.58399	0.4
73.25377	0.2
76.09055	0.2
79.05460	0.6
81.03378	1.1
81.07017	1.2
82.06552	0.7
83.04964	0.4
83.08579	0.4
84.08085	0.3
85.02906	3.3
85.06525	0.3
87.04436	0.3
91.05453	0.6
93.03367	1.2
93.07009	0.7
94.06516	0.5
95.04921	0.3
95.08598	1.2
96.08095	1.1
96.08897	0.3
97.02893	1.4
97.08878	0.4
98.09705	0.3
99.04433	0.5
103.85209	0.3
105.07014	0.8
107.07338	0.3
107.08542	0.7
108.08114	0.4
109.02842	0.9
109.06498	0.4
109.10116	0.7
111.04402	1.2
119.04902	1.0
119.08558	0.6
120.08120	0.5
121.02849	2.9
121.10133	0.3
125.09612	0.3
127.03889	0.9
133.10107	0.5
134.10536	0.3
137.02312	1.8
138.09035	0.2
145.02873	1.2
145.04947	0.5
151.03784	0.6
155.03343	0.6
161.02281	1.1
163.03888	1.2
169.04944	0.8
173.04478	0.3
175.14803	0.3
176.15182	0.3
179.03389	16.1
187.03957	0.3
193.86334	0.3
197.04391	2.4
207.01437	0.3
221.11787	0.3
223.07480	0.4
229.04987	2.3
231.03024	0.3
249.04210	0.3
250.25261	0.6
251.25420	0.3
253.04793	0.5
255.06458	0.8
260.23697	0.6
269.08096	1.6
271.06027	0.7
278.24774	3.7
279.06396	1.8
279.25070	2.7
287.05508	0.4
296.25858	4.6
297.07559	100.0
297.26230	3.1
298.07861	2.2
314.23135	0.5
314.26865	10.6
315.08606	71.2
315.27206	7.8
316.08896	1.5
362.42050	0.3
437.47614	0.3
441.20065	0.3
476.32138	2.7
477.13712	0.7
477.25381	0.5
477.32520	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61814	3.4
53.03947	5.5
55.01873	6.4
55.05517	25.3
57.03419	7.4
63.57685	2.8
65.03950	4.9
67.05501	45.2
69.03422	14.2
69.07059	19.2
70.25375	3.4
71.05000	7.4
71.58320	2.7
79.05479	35.0
81.03426	24.9
81.07056	63.0
82.07407	3.7
83.04977	12.1
83.08606	15.2
85.02895	14.3
85.48252	3.0
87.00820	5.8
89.53652	3.0
91.05473	89.5
93.07040	35.8
95.04971	19.7
95.08592	33.3
97.02876	17.8
97.06514	12.9
97.10166	12.4
98.06030	3.3
99.04481	5.4
105.01874	4.6
105.07018	31.3
107.04935	18.9
107.08592	30.4
109.02893	11.6
109.06506	9.3
109.10149	28.9
111.08063	5.0
117.07015	15.7
119.08571	25.9
120.08107	10.1
121.06499	10.8
121.10118	22.0
123.08085	11.9
123.11721	12.8
125.05984	5.0
125.09624	10.3
127.03902	9.1
129.06995	11.4
131.08586	8.2
133.06493	3.7
133.10136	17.2
135.08113	7.8
135.11703	11.0
137.05980	6.8
137.09590	18.5
138.09978	7.4
143.08585	10.1
145.04996	6.2
145.06476	7.9
145.10097	16.1
147.04417	5.2
147.08043	4.6
147.11656	13.9
149.05905	4.1
149.09621	13.5
149.13280	8.8
151.03908	4.8
151.07552	45.0
151.11171	8.8
153.08977	3.6
155.08557	5.5
157.10094	6.5
159.08063	7.9
159.11664	7.3
161.13266	4.0
163.07584	6.9
163.11166	6.3
165.09105	100.0
166.09468	49.7
167.06970	4.4
167.09662	9.1
171.11578	3.9
173.09697	4.2
175.11192	6.5
175.14824	6.2
176.72328	3.3
177.12733	4.4
179.07048	5.2
185.13321	3.8
189.11211	4.0
189.12781	3.6
191.10655	7.3
191.14362	3.2
193.12273	7.8
205.12288	10.8
206.12572	7.4
211.16872	5.2
227.12683	4.2
228.04764	15.3
229.05156	16.6
233.15385	8.0
255.13858	3.7
297.11276	7.8
315.12259	6.5
349.21457	3.3
350.51773	3.4
357.24524	4.2
367.22595	5.3
381.92099	3.3
385.23685	13.0
403.24933	4.3
459.27274	18.5
476.32700	19.1
477.27826	26.7
477.33923	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1387
Annotation	Scutellarein 6,7-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
55.05480	0.9
57.03420	0.3
60.68644	0.3
61.02905	0.3
67.05451	0.8
67.09801	0.2
68.99754	0.4
69.03432	3.4
69.07047	0.3
70.06557	1.2
71.04952	0.4
71.58439	0.4
72.08150	0.2
79.05452	0.5
81.03371	0.9
81.07059	1.4
82.06559	0.7
85.02902	3.4
87.04408	0.4
91.05460	0.6
93.03374	0.9
93.07011	0.6
94.06538	0.5
95.04961	0.3
95.08588	0.7
95.94166	0.2
96.08104	0.3
97.02904	1.4
97.08917	0.4
99.04416	0.4
105.06999	0.3
107.08544	0.3
109.02865	0.6
109.10131	0.6
111.04445	1.4
119.04913	0.9
119.08540	0.7
121.02862	2.5
123.08031	0.4
124.08393	0.2
127.03898	0.7
128.60219	0.3
131.08571	0.3
137.02327	1.5
139.03859	0.3
145.02823	1.1
145.04951	0.6
151.03911	0.6
155.03365	0.4
160.05296	0.3
161.02310	0.8
163.03862	1.1
169.04924	0.9
169.07602	0.5
175.14738	0.3
179.03389	16.5
197.04431	2.5
216.19389	0.3
221.11681	0.3
229.04961	2.3
231.02885	0.6
239.12872	0.7
247.06038	0.3
253.04886	0.4
255.06560	0.8
260.23868	0.4
269.08093	1.3
271.05927	0.3
273.03992	0.4
273.07565	0.3
278.24802	2.0
279.06506	2.1
279.25113	1.9
293.33844	0.3
296.25864	3.0
297.07565	100.0
297.26154	1.8
298.07809	2.4
314.26852	5.7
315.08618	71.0
315.27240	5.0
316.08923	1.7
412.42169	0.3
441.20419	0.5
459.21524	0.5
472.96344	0.3
476.32147	1.9
477.13913	0.6
477.32257	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05510	2.4
56.05021	0.5
57.03434	2.8
61.02925	3.5
62.29574	0.5
65.05776	0.4
67.05500	4.2
68.05030	0.6
69.03423	11.4
69.07059	3.7
69.53993	3.7
70.06582	4.6
70.07291	0.4
71.01353	0.7
71.04980	1.5
73.02914	2.7
79.05498	2.5
81.03410	3.4
81.07060	4.0
82.06580	1.4
83.08613	0.8
84.08131	0.9
85.02898	13.8
85.06544	0.7
86.09718	1.1
87.00821	0.5
87.04465	2.2
91.03947	0.6
91.05480	2.1
93.07021	3.5
94.06558	3.2
95.04977	0.8
95.08598	3.4
96.08129	4.0
97.02883	5.6
99.04494	1.3
105.07033	1.8
107.04990	0.8
107.07313	0.5
107.08595	1.5
108.08121	3.0
109.02857	2.4
109.06487	0.6
109.08904	1.2
109.10135	0.7
110.09662	2.4
120.08090	0.9
121.10146	0.5
122.09679	3.6
127.03951	2.6
127.09974	0.7
131.08572	0.7
133.10127	0.7
134.09662	0.6
135.11707	0.5
136.03957	0.6
136.11203	1.1
140.10732	1.2
145.04948	0.9
149.09599	0.6
153.05502	0.5
163.03928	0.6
200.12823	1.0
210.15604	0.5
234.22101	0.6
238.21611	0.6
248.23799	1.9
250.21689	0.6
252.23299	0.7
260.23630	2.8
266.24808	1.6
276.23141	0.9
278.24765	17.7
279.25220	1.2
296.22504	1.7
296.25784	23.5
297.26120	1.0
307.12784	0.6
314.26859	59.3
315.08670	0.8
315.27258	2.3
356.27658	1.0
458.31497	0.7
476.32220	100.0
477.32404	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01413	0.3
53.03908	1.1
54.76056	0.3
55.01852	0.8
55.05504	3.3
56.05006	0.8
57.03432	2.3
58.06581	0.6
61.02927	2.3
63.71063	0.3
67.05503	7.2
68.05022	2.2
69.03429	8.0
69.07063	2.9
70.06586	2.6
71.04991	3.5
72.04511	8.2
72.05342	0.4
72.08141	0.6
73.02884	1.5
73.05273	0.5
79.05485	4.3
80.04983	0.7
81.03421	2.9
81.07056	7.3
82.03712	0.4
82.06525	1.2
83.04959	0.6
83.08598	0.9
84.08116	0.9
85.02899	16.7
85.06528	0.7
86.06024	1.6
86.09680	0.6
87.04465	2.5
91.05457	1.8
93.07034	3.9
94.06539	0.6
95.04926	1.0
95.08053	0.4
95.08595	5.1
96.07571	0.4
96.08117	4.1
97.02876	5.2
97.06509	0.6
97.08852	0.4
97.10137	0.4
98.09647	0.6
99.04456	4.4
100.04745	1.2
100.07595	0.8
101.02390	0.5
105.01819	0.5
105.07035	1.7
106.07289	0.3
107.08588	2.5
108.08113	2.4
109.02856	2.2
109.06470	0.8
109.10159	1.8
110.09691	2.6
110.10345	0.6
111.08037	0.3
112.07618	3.1
112.68019	0.3
114.09116	0.5
117.06998	0.4
121.10117	1.9
122.09670	1.7
122.10396	0.4
123.08038	0.7
123.11687	0.4
126.09134	0.6
127.03899	3.1
131.08586	0.5
133.10080	1.6
134.10495	0.5
135.11650	1.1
136.11150	0.4
145.04910	0.9
145.10049	0.5
147.11589	0.7
149.13304	0.6
151.07465	0.5
159.02843	0.5
165.94576	0.3
173.13196	0.6
174.13527	0.4
175.14818	0.3
179.27704	0.3
179.99812	0.3
183.13692	1.0
184.14117	1.1
209.15324	0.9
210.15671	0.9
227.16367	2.0
228.16762	2.3
248.23662	1.0
252.23189	0.5
254.74480	0.5
260.23688	1.4
266.24722	3.7
278.24780	18.2
279.25082	0.9
294.24515	0.4
296.25824	49.3
297.26099	2.1
314.26865	100.0
315.27240	4.6
338.27081	0.4
343.11249	0.5
356.28021	1.6
422.29092	0.4
440.30026	1.2
458.30927	1.6
476.32181	39.5
477.32553	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92405	2.9
53.92672	3.0
55.05495	12.9
57.03412	6.0
62.05798	3.3
62.06084	48.2
67.05497	36.4
69.07056	11.4
69.52359	3.2
69.52711	28.9
76.01763	3.5
79.05498	24.1
81.07058	31.5
83.08612	5.2
91.05457	11.8
93.07034	26.3
95.04953	3.6
95.08603	22.8
96.95850	3.6
97.77631	4.2
98.98444	9.4
105.07024	4.5
107.08562	10.7
107.44276	3.2
109.10154	11.9
109.48975	3.7
114.73875	3.6
117.11353	3.2
119.08556	6.1
121.10136	8.7
131.08492	7.8
133.10164	4.6
147.11615	4.5
174.22778	3.3
198.05167	3.1
216.06210	4.7
261.22269	7.0
294.67380	3.7
304.26297	19.3
309.63928	3.7
335.25763	100.0
336.26065	4.6
461.10156	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39863	0.5
53.03911	1.2
55.01830	1.0
55.05507	5.0
56.05008	1.1
57.03398	1.8
58.06573	0.6
61.02879	1.7
67.05500	5.9
69.03423	6.6
69.07076	4.6
69.52866	1.1
69.53274	3.6
70.06585	6.3
71.04974	1.4
73.02854	2.0
75.68999	0.5
79.05489	2.9
80.04966	0.9
81.03368	2.4
81.07050	5.3
82.06576	3.3
83.08582	1.6
84.08111	0.8
85.02899	11.9
87.04424	1.4
87.48804	0.6
88.23402	0.5
91.03914	1.0
91.05429	1.9
93.07043	3.6
94.06561	3.9
95.04935	1.6
95.08604	5.9
96.08126	5.0
97.02888	4.9
97.08873	2.9
98.09686	0.9
98.20715	0.7
99.04412	3.1
105.06967	2.1
106.06538	0.8
107.07327	0.7
107.08533	2.2
108.08057	2.5
109.02821	2.0
109.06515	1.0
109.10110	2.4
110.09615	1.7
111.04392	0.6
117.06929	0.6
119.04919	0.7
119.08494	2.4
120.08038	1.8
121.02763	1.7
121.10102	1.5
122.09612	2.2
127.03902	4.0
131.08568	0.6
133.10129	3.7
134.09558	0.7
135.11676	0.8
136.06059	0.9
136.11186	1.1
137.02330	1.0
140.10646	1.6
145.04906	1.4
145.10013	0.8
147.11617	1.2
152.10620	0.9
156.10222	0.7
161.02257	0.5
163.03908	1.4
175.14815	3.2
179.03407	10.2
193.15863	0.7
197.04385	1.6
210.15573	0.7
227.16429	0.7
228.16698	0.7
229.04912	1.6
247.32629	0.7
250.25372	5.3
255.06606	1.1
260.23694	6.2
269.07938	1.0
278.24759	41.1
279.06436	1.6
279.24976	1.9
296.25833	51.8
297.07559	66.4
297.26163	1.8
314.26865	100.0
315.08606	51.5
315.27264	4.5
458.31137	1.9
463.22720	0.8
476.32178	41.3
477.32562	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05508	9.0
57.03192	0.7
57.03438	7.6
57.07051	0.7
61.06952	0.6
65.03934	1.1
65.80134	0.5
67.05502	29.3
69.07066	7.5
70.78020	0.5
71.04974	0.7
79.05492	17.8
81.07053	24.7
83.04978	1.1
83.08617	2.3
91.05479	8.8
93.07043	15.5
95.04964	2.1
95.08605	21.8
97.06506	0.8
97.10174	1.0
98.06050	2.0
98.98506	0.9
105.07030	4.5
107.08593	8.0
109.06506	0.7
109.10162	6.8
111.11691	0.5
117.07018	1.0
119.08583	3.3
121.10135	6.4
123.11697	1.9
124.01575	0.7
131.08545	1.7
133.10110	2.3
135.11679	2.5
136.36481	0.6
137.13269	0.7
145.10164	1.3
147.11668	1.3
149.13257	1.4
159.11636	0.9
161.13284	0.6
173.13287	0.6
174.52103	0.5
216.06258	0.6
217.15303	0.6
229.58675	0.6
261.22089	0.8
304.26340	12.2
305.26706	0.7
335.25787	100.0
336.26163	4.2
351.41132	0.5
469.58447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
57.03438	1.5
62.06087	1.5
67.05508	13.9
69.07066	3.1
69.27795	10.6
71.74318	0.8
79.05489	6.1
81.07063	10.6
83.08659	1.8
85.05288	1.5
86.54675	0.8
91.05494	2.2
91.30973	0.7
93.07040	5.4
95.08621	6.9
98.06059	7.8
98.20770	1.4
98.98482	2.6
105.07087	1.0
107.08624	2.1
109.10166	2.7
116.44818	0.9
119.08600	1.4
121.10171	2.2
123.11691	1.3
133.10127	0.9
145.10127	1.1
145.55997	1.0
155.70018	0.9
193.81580	1.0
257.56528	0.9
297.68793	1.0
304.26358	100.0
305.26822	2.3
330.12839	0.9
335.25809	55.6
336.25854	1.3
362.49179	0.9
471.28516	0.9
476.27106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86345	3.4
53.03966	6.1
55.01862	7.4
55.05499	16.4
57.03434	9.1
67.05502	20.0
69.03425	11.5
69.07063	23.2
70.06587	6.4
71.04991	5.5
71.58405	4.9
71.58801	6.2
72.83506	4.5
73.54494	3.7
79.05482	25.3
81.03407	14.8
81.07056	32.1
83.04987	7.6
83.08606	12.0
84.08176	4.3
85.02895	21.7
91.05487	17.3
93.07046	32.5
95.04971	13.7
95.08598	32.6
97.02892	9.8
97.06574	5.0
97.10178	9.8
100.11238	5.4
104.87226	4.1
105.01876	4.0
105.07030	29.7
107.04965	6.7
107.08578	33.2
107.10506	4.4
109.02877	5.8
109.06552	4.5
109.10149	21.5
117.07001	7.3
119.08577	20.7
121.06438	6.6
121.10126	35.5
123.08055	5.0
123.11713	4.6
126.09209	5.2
127.03928	10.8
127.08675	4.3
129.07036	7.0
131.08545	9.8
133.10130	17.4
135.08125	3.9
135.11708	17.1
137.05988	7.0
145.04967	8.8
145.10159	10.2
147.04437	7.9
149.13283	6.4
151.07555	9.1
161.05975	6.1
163.07570	14.2
165.09093	21.6
166.09410	5.0
175.14835	37.1
177.16391	100.0
182.15340	5.3
189.11209	4.8
193.15881	14.5
297.11176	8.4
315.12219	6.5
367.22760	4.7
385.23859	5.8
459.27493	5.5
476.27090	9.6
476.33987	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.3
55.05499	9.0
59.45811	3.9
61.02911	5.7
67.05499	11.2
69.03423	20.7
69.07066	13.8
70.06611	7.1
71.57370	4.6
73.02917	4.9
79.05506	7.8
79.55801	4.4
79.60510	4.1
81.03418	9.3
81.07053	16.9
82.24538	4.2
83.08630	4.9
85.02911	28.9
85.62512	4.4
87.00832	7.0
87.04459	5.0
91.05447	9.8
93.07059	13.4
95.04951	5.5
95.08598	14.1
97.02894	9.2
97.06510	6.5
105.07023	18.4
107.08583	12.7
109.02864	7.1
109.10141	10.3
119.08592	39.1
123.04472	5.0
127.03875	11.4
133.10132	35.2
134.14984	4.4
135.04251	4.5
137.06013	5.7
145.04971	6.7
147.04410	13.5
161.06029	5.9
163.07507	5.5
173.06084	5.4
175.07397	4.9
175.14815	100.0
187.07481	5.0
269.11453	4.2
278.24829	29.8
290.05884	4.7
296.25708	26.8
297.08459	4.4
297.11276	36.2
314.26791	60.4
315.12152	43.0
330.26416	5.2
360.17950	5.2
375.01331	5.2
385.72995	4.5
476.32047	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01852	4.4
55.05524	15.2
55.22017	2.7
56.05024	3.6
57.03440	3.5
57.07051	5.4
63.94046	2.5
65.03931	4.8
67.05503	24.7
69.03430	14.7
69.03729	2.6
69.07066	23.0
70.06572	6.2
71.04984	7.0
71.58356	5.2
73.02911	3.4
79.05487	22.5
81.03407	12.9
81.07053	34.5
83.04990	4.9
83.08606	8.0
85.02908	20.3
85.06519	5.2
86.09727	3.7
87.00827	4.1
87.11685	2.4
91.05485	38.2
92.05804	8.8
93.07040	30.4
95.04959	8.5
95.08608	46.3
97.02888	8.7
97.06509	5.2
99.04444	3.1
99.08085	7.4
105.01864	6.3
105.06393	4.6
105.07031	61.5
106.07349	3.7
107.04973	3.3
107.08591	37.8
108.08975	2.7
109.02853	6.8
109.06506	6.8
109.10160	18.3
110.10484	6.4
111.08099	3.4
111.22015	2.7
112.23618	2.9
113.09622	5.6
117.06997	5.1
119.08580	70.9
121.06506	4.4
121.10136	13.4
123.08076	7.9
123.11697	11.4
124.08372	3.8
125.09602	3.4
127.03914	12.4
127.09949	3.2
131.08540	6.0
133.10129	80.6
135.04407	2.5
135.07990	6.2
135.11690	39.0
137.05911	3.1
137.09587	8.1
140.10739	3.5
141.06871	3.4
145.04939	3.9
145.10172	5.8
147.04440	5.0
147.11671	16.8
149.06029	4.4
149.13246	3.1
151.07536	43.1
152.07898	19.4
153.12750	4.0
161.09612	8.1
163.07494	20.0
165.06721	2.6
165.09135	6.7
166.09433	6.7
168.06535	4.7
169.08588	3.1
173.13225	2.6
175.07469	4.9
175.14824	100.0
177.09081	3.2
189.09117	7.2
191.10667	17.1
191.12195	3.2
192.10979	10.0
193.12248	11.3
193.15897	10.7
222.22154	3.2
250.25366	10.2
255.06548	3.2
257.07962	3.4
259.10782	3.8
296.22495	6.2
296.25821	92.4
297.11203	9.4
301.11752	6.1
304.19876	3.1
314.23218	5.2
314.26880	96.3
315.12222	10.5
353.10495	4.2
384.22461	3.3
443.62286	3.2
459.26416	3.2
476.18839	4.0
476.32538	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01871	1.4
55.05506	2.2
57.03432	1.8
67.05491	2.6
69.03427	6.4
69.07069	2.6
69.35858	9.8
71.04987	3.2
73.02930	1.7
79.05495	2.7
81.03410	4.0
81.07047	9.2
83.08626	0.9
85.02903	14.7
87.00830	5.7
91.05492	4.9
93.07024	5.8
95.08601	13.6
97.02898	4.0
99.04469	2.2
99.08084	3.7
105.01866	6.2
105.07028	7.6
107.08578	10.0
109.02866	4.0
109.10151	1.7
109.77016	1.1
113.09615	1.6
119.08578	53.6
120.08847	1.1
123.11697	5.9
127.03905	8.5
131.08502	1.6
133.10126	100.0
134.10486	1.7
135.11690	18.0
137.09656	1.6
145.04956	3.6
147.11668	2.7
159.02910	1.7
175.14818	94.4
176.15207	1.6
193.15884	20.0
211.16910	18.5
231.05046	2.2
476.32397	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
53.90482	2.7
54.90849	2.9
55.05494	8.7
61.53860	2.9
64.31544	2.6
65.02795	2.8
67.05492	14.7
69.03413	9.7
69.07068	16.2
70.06572	7.5
70.72308	9.8
71.04969	3.7
79.05471	12.4
81.03419	3.7
81.07061	18.8
83.04978	4.1
83.08607	4.4
85.02882	19.7
85.06543	3.1
87.00768	4.4
91.05465	13.1
93.07048	15.1
95.04944	4.5
95.08607	22.3
96.94189	3.7
97.02897	5.0
97.06546	3.5
105.01837	5.8
105.07040	26.4
106.04807	3.0
107.08588	20.5
109.02865	8.5
109.10151	8.7
113.05923	3.0
117.06985	8.0
119.04903	3.2
119.08579	78.4
121.10149	10.0
123.11683	5.4
127.03925	12.3
131.08543	5.6
133.10126	39.3
135.11716	8.3
137.09554	4.1
138.09900	3.5
145.04918	4.0
145.10133	6.2
147.11678	6.3
149.09621	3.1
151.07510	10.2
165.09117	26.3
166.09537	14.8
175.14828	100.0
186.31284	3.1
191.10646	2.9
205.12234	3.6
220.15825	3.3
222.75325	3.2
236.23698	30.0
278.24719	7.1
296.25809	24.0
314.26883	54.4
476.32458	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	19.0
57.03185	3.9
57.03437	35.2
59.04990	2.7
61.02907	11.2
63.51644	2.4
67.05493	2.7
69.03425	35.2
69.37821	24.3
71.01350	7.3
71.04984	2.5
71.13692	2.5
72.04511	3.2
72.92541	2.4
73.02917	31.6
81.03407	8.5
81.07074	3.2
85.02906	78.2
87.04473	7.0
89.91666	2.6
91.03974	2.5
93.07076	3.0
95.08585	2.8
97.02290	3.4
97.02892	46.0
99.04451	6.1
103.03926	5.5
105.07037	20.8
107.08581	2.3
109.02856	9.5
115.03921	24.7
124.05202	27.4
126.39922	2.3
127.03913	21.2
132.06551	3.7
133.04974	42.4
133.06490	16.7
133.10103	5.8
137.05980	27.6
144.06523	2.7
145.04951	25.4
150.07642	4.6
163.06094	6.2
165.09109	100.0
175.14828	6.3
193.05128	3.0
201.09105	4.3
223.06082	2.8
241.07056	5.5
259.08011	3.3
263.11398	2.4
278.24689	7.4
296.25775	6.3
314.26880	16.1
330.26294	2.5
331.26294	2.4
337.84747	2.5
476.32468	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39649	3.8
52.62664	3.7
55.05506	10.1
62.64845	3.8
63.61453	3.3
67.05509	8.9
69.07052	11.9
69.36099	28.2
69.36515	12.3
70.06596	10.0
79.05497	7.6
81.03423	5.5
81.07043	15.2
82.06596	5.4
85.02905	16.2
91.05473	10.3
93.07031	9.8
94.97500	3.4
95.08595	25.2
96.08089	4.5
97.02875	9.1
97.06532	4.1
97.08909	4.6
99.04468	11.0
105.07066	12.3
105.58553	3.6
107.08591	8.9
108.08885	4.4
109.02914	4.4
109.10143	19.0
119.08591	32.6
121.10159	8.4
123.04549	4.2
125.78262	3.9
126.05472	3.5
127.03928	7.8
133.10123	35.1
135.11728	6.6
137.09662	7.4
145.10202	5.3
147.11656	10.6
175.14825	58.3
193.15877	14.2
212.26537	4.7
228.16467	5.2
233.59883	3.9
260.23843	7.6
278.24811	39.6
296.25888	42.7
297.07544	43.2
314.26904	100.0
315.08633	31.8
342.08759	4.4
360.96030	5.1
476.32440	42.6
499.90134	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01857	4.0
55.05501	1.7
57.03417	3.2
58.45766	1.1
61.02925	2.2
67.05505	3.6
69.03429	8.9
69.03748	1.9
69.07056	1.6
70.06585	3.9
71.04985	3.7
73.02883	2.6
79.05485	5.7
81.03418	9.3
81.07061	2.3
82.06573	2.5
84.04491	2.9
85.02901	19.1
86.09701	3.0
87.00821	6.0
89.06017	6.4
91.05479	4.6
93.07008	2.7
95.04937	1.8
95.08591	2.7
96.08147	2.3
97.02881	9.5
98.06051	2.6
99.04453	5.4
103.05472	4.7
105.01884	3.8
105.07023	41.9
107.04916	2.2
108.04483	2.9
109.02876	8.8
111.04341	1.2
115.05453	9.4
117.01820	2.4
118.04111	3.2
119.04910	1.5
121.10131	1.6
122.06003	1.7
123.04424	2.0
124.07597	1.8
126.05526	1.8
127.03912	11.7
129.10307	1.4
133.05469	2.2
133.06480	46.0
133.10065	1.6
136.07564	2.4
137.02310	2.1
138.09117	2.3
139.09113	1.3
142.08522	1.3
143.06029	2.2
145.04953	6.1
149.02318	2.2
149.07417	1.6
159.02885	3.0
161.05968	100.0
162.06425	1.7
176.26617	1.7
193.08585	78.8
194.08850	1.7
220.46672	1.4
231.05016	2.4
278.21045	3.1
294.24570	1.3
296.22455	2.4
314.10242	3.5
314.23233	2.5
386.23462	1.6
422.25287	2.2
440.26248	5.5
458.27423	15.7
476.28595	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01857	1.9
55.05505	5.8
57.03435	1.3
65.03954	0.8
66.92591	0.8
67.05500	10.6
69.03417	2.1
69.07074	4.7
69.79194	4.8
71.04984	0.9
78.21714	0.9
79.05485	7.5
81.03408	5.9
81.07046	11.6
82.07355	0.7
82.99246	0.8
83.04981	2.0
83.08611	2.7
85.02890	2.1
86.20909	0.8
91.05473	6.0
93.07040	7.2
95.04967	4.2
95.08603	11.2
97.02903	0.9
97.06550	1.6
97.10147	2.2
105.07032	6.0
107.04950	2.3
107.08588	7.3
109.02867	1.8
109.06506	4.9
109.10150	11.8
110.06842	0.9
111.04398	0.8
111.08044	1.4
113.09634	0.9
117.07036	2.5
117.39788	0.7
119.08570	6.2
121.06487	2.2
121.10126	4.3
122.07263	2.8
123.04404	1.1
123.08047	1.7
123.11691	3.5
125.05954	0.9
125.09645	1.9
127.03896	1.1
127.11240	0.7
129.06955	1.2
131.08549	2.7
133.06482	0.8
133.10126	3.0
135.08072	3.6
135.11681	3.2
137.05972	1.3
137.09607	12.8
141.07011	0.8
143.08627	1.0
145.06451	1.7
145.10100	2.6
147.04369	1.3
147.08055	0.8
147.11649	1.6
149.09587	5.1
149.13257	1.5
151.07530	1.9
153.09105	1.3
155.08577	1.0
157.10184	1.7
159.08069	2.2
159.11617	1.8
161.05978	2.9
161.09583	1.4
161.13275	1.4
163.11140	1.8
165.09106	100.0
166.09433	1.9
173.09698	1.1
173.13193	1.0
174.13654	1.1
175.07562	0.9
175.11142	1.8
175.14658	1.0
177.09087	1.5
179.10658	1.2
183.11687	1.0
187.11220	1.0
189.09247	1.4
189.12828	1.1
189.16400	0.9
190.09779	1.0
191.10658	1.8
191.14334	0.9
192.14644	2.1
193.12296	1.1
199.11183	1.0
203.10448	1.0
205.12219	7.2
209.15154	1.0
227.12816	2.9
228.04703	5.1
251.14587	1.0
289.14389	1.3
294.24289	1.3
295.24588	1.7
313.25504	1.6
365.21027	1.2
383.22073	5.7
401.23163	2.4
412.65970	0.7
439.25018	1.4
439.31775	1.0
457.25711	3.3
475.26627	6.1
475.32623	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.6
55.01848	2.5
55.05509	24.6
57.03149	2.9
57.03434	55.5
57.07071	66.4
60.72691	2.4
61.02926	48.1
66.98824	1.9
67.05502	38.6
69.03426	36.0
69.07059	31.6
69.27489	22.4
71.01344	3.8
71.04975	7.0
71.08629	49.9
73.02908	26.4
79.05478	11.0
81.03413	35.3
81.07050	47.0
83.04955	3.9
83.08142	2.8
83.08612	31.6
83.65733	2.0
85.02901	66.6
85.06555	4.0
85.10178	27.9
87.04424	3.8
91.03944	33.0
91.05458	4.3
93.07034	13.5
95.04958	2.5
95.08603	55.0
97.02884	57.2
97.06486	2.9
97.10155	18.2
98.98460	49.5
99.04436	15.7
101.02348	9.3
103.03926	15.7
105.07043	3.2
107.08568	7.4
109.02867	22.5
109.10144	26.2
111.04443	2.5
111.11675	3.7
115.03898	6.8
116.99502	3.7
117.05497	3.2
119.08603	4.4
121.10112	4.8
123.11704	11.1
127.03918	34.5
129.05482	4.5
131.08531	3.8
133.10040	2.5
135.11685	7.8
136.99980	31.3
137.13225	6.9
145.03877	2.5
145.04938	7.4
152.08850	2.4
155.01022	45.9
159.06465	2.1
159.11783	3.3
171.06514	3.8
181.12181	2.5
182.62715	2.4
183.06493	9.6
193.02591	6.6
199.15825	2.2
201.07570	6.1
211.03665	7.3
239.23679	38.4
257.24817	4.3
265.25250	2.3
283.06055	3.6
313.27335	100.0
314.27725	3.6
329.72238	2.3
330.06119	2.9
339.29007	28.4
341.26764	3.4
383.27942	22.6
457.31525	6.6
475.27048	24.7
475.32944	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01864	3.7
55.05510	11.6
57.03230	2.9
57.03442	30.5
57.03687	5.9
57.07074	58.4
58.12083	3.0
59.03711	2.8
61.02924	67.1
67.05508	33.8
69.03428	29.6
69.07070	20.1
71.01356	5.4
71.04988	5.9
71.08623	36.3
71.58403	3.7
73.02924	34.2
78.97282	3.4
79.05470	15.3
81.03409	24.3
81.07064	37.2
83.04953	4.0
83.08607	18.8
85.02900	54.6
85.10178	24.9
91.03400	5.5
91.03949	43.1
91.05473	12.6
93.07017	11.8
95.04959	6.1
95.08595	42.8
97.02885	68.3
97.10158	11.5
98.98419	10.4
99.04448	7.8
101.02367	15.1
103.03934	4.3
105.07034	6.3
107.08585	8.3
108.03785	3.6
109.02871	12.7
109.10172	21.1
115.03921	5.5
119.08552	6.5
121.06506	3.2
121.10083	6.1
123.08064	3.3
123.11723	10.1
127.03916	18.9
129.05496	4.1
133.10086	4.5
134.72925	3.0
136.99983	5.4
137.13257	6.9
145.04962	7.4
147.11685	3.7
155.01004	10.1
183.06551	8.1
239.23755	28.4
246.01195	3.4
257.24728	5.4
258.97449	3.5
262.58475	3.6
266.17621	3.6
276.62347	3.9
292.20325	3.8
298.55640	3.5
313.27368	100.0
331.88782	4.3
374.03729	3.5
457.31302	5.9
475.32831	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45776	2.8
51.63372	2.1
53.03931	8.4
55.01870	5.1
55.05492	4.2
57.03420	5.3
57.07059	3.2
60.77361	2.3
61.02919	4.1
67.05489	6.6
69.03431	19.9
69.07057	5.8
70.06589	5.0
70.74185	7.8
71.04993	30.1
73.02910	3.5
79.05478	6.3
81.03422	19.4
81.03834	3.4
81.07046	11.0
83.04963	3.1
83.08607	5.9
85.02906	36.6
85.06554	13.3
86.09692	10.6
87.00827	15.1
88.82779	2.6
91.05468	6.3
93.07031	13.1
95.04980	13.8
95.08604	10.3
97.02878	13.8
97.06526	7.5
99.04454	100.0
105.01861	11.7
105.07021	10.4
107.07939	3.1
107.08607	23.2
109.02865	14.2
109.06496	9.3
109.10159	10.4
111.08062	2.9
113.09588	3.6
119.08561	6.8
121.06461	3.1
121.10123	16.2
123.08084	19.1
123.11698	10.9
125.09634	8.3
127.03905	23.6
127.07584	2.6
127.08536	2.3
129.01846	2.8
131.08563	5.6
133.10135	25.1
135.08029	4.3
137.09572	2.9
139.11198	6.5
145.04993	7.6
145.10187	2.8
147.11700	13.0
149.09650	3.5
149.13249	10.4
151.07596	2.5
151.11201	5.2
153.09103	5.5
157.10141	3.0
159.02858	6.7
165.09145	2.5
165.12701	7.6
167.10696	3.4
169.12256	6.1
171.10201	3.0
173.13219	10.9
183.13815	33.4
186.07782	2.4
191.14307	12.3
209.15356	40.4
223.24075	2.7
227.16420	94.2
228.16754	3.4
231.05026	3.9
314.27109	2.8
475.32480	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01864	2.3
55.05516	5.8
57.03434	1.3
57.07073	1.2
61.02906	1.1
62.06099	0.9
66.04878	0.9
67.05501	17.0
68.99814	1.1
69.03415	4.6
69.07069	6.9
69.22678	0.9
70.84069	0.9
71.04984	3.1
71.58245	1.3
73.02952	1.1
79.05488	6.2
81.03408	4.4
81.07059	17.2
81.50426	0.9
83.04969	2.4
83.08604	2.6
85.02896	6.4
85.06538	2.9
87.00813	1.6
91.05475	6.5
93.07043	12.7
95.04961	3.8
95.08607	36.0
96.08942	1.0
97.02907	1.9
97.06554	2.4
97.10142	1.1
99.04426	4.7
100.28922	0.9
101.06033	0.9
105.07030	7.3
105.70408	1.1
107.04934	2.7
107.08617	8.7
109.02887	2.2
109.06524	2.3
109.10152	20.9
111.04462	2.5
111.08098	3.5
113.05998	2.4
113.09640	1.5
117.06998	2.5
119.08585	7.7
121.02946	1.4
121.06492	2.7
121.10143	6.9
123.08057	15.2
123.11714	7.7
125.06001	1.2
125.09615	3.4
127.03930	2.8
127.11234	1.4
128.53600	1.0
129.07007	1.3
131.08551	3.0
133.06551	1.6
133.10130	4.5
134.71431	1.0
135.04388	1.5
135.08054	7.3
135.11682	4.5
136.46292	0.9
137.05994	2.8
137.09601	7.5
137.13281	1.3
139.07567	3.3
139.11163	1.1
141.09079	4.7
143.08623	2.3
145.10124	3.8
147.04419	1.0
147.08031	2.5
147.11685	3.1
149.05977	1.3
149.09607	2.4
149.13287	2.0
151.07544	100.0
151.11171	2.5
152.07915	3.1
155.10672	4.1
157.08621	1.9
157.10017	1.3
159.08112	1.2
159.11713	3.7
161.02325	2.0
161.05986	2.6
161.09607	2.6
161.13237	1.4
163.03915	3.2
163.07532	6.1
163.11192	2.6
165.09105	19.6
167.07072	2.7
169.08598	1.4
169.10187	0.9
173.09570	3.2
173.11743	1.0
175.07510	1.8
175.11182	4.0
175.14755	1.7
176.08305	2.6
177.09119	13.6
179.10683	1.1
183.10155	1.1
185.09697	1.1
187.09654	3.3
187.11191	2.3
187.13315	1.3
189.09099	5.3
190.09860	1.1
191.10667	32.6
191.17953	1.6
193.08678	2.0
199.11172	2.2
201.09239	1.1
201.11194	2.5
201.12834	1.3
203.10686	4.1
203.17989	1.4
203.22902	1.0
205.12242	14.7
209.19014	1.6
213.12738	1.2
215.10686	5.2
217.12148	1.5
227.06972	1.5
227.18295	1.7
229.12396	1.2
231.13805	4.3
241.08603	1.8
253.08598	2.9
269.07901	1.3
270.08926	2.9
271.05829	1.2
279.06549	2.9
281.08105	3.0
295.09650	2.3
297.07468	1.2
303.19589	2.6
313.10721	15.1
314.11096	2.4
393.28085	1.1
411.28665	2.4
429.29990	4.3
457.29617	2.3
475.10013	1.8
475.32520	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01870	7.3
55.05508	6.9
57.03420	11.0
62.40088	3.3
64.54604	4.1
67.05511	8.0
69.03428	27.6
69.07056	11.8
70.06586	28.3
70.70192	8.8
71.04989	37.6
73.02899	7.5
81.03395	18.7
81.07054	20.2
83.08637	10.1
84.04481	4.1
85.02911	49.5
85.06536	14.2
87.00822	22.4
91.05475	11.1
93.07037	17.3
95.04957	15.1
95.08586	15.2
97.02882	13.2
97.06537	17.8
99.04449	100.0
105.01858	11.1
105.07035	23.4
107.08595	29.2
109.02876	11.8
109.06501	27.3
109.10139	16.8
113.09659	6.1
117.07009	5.4
119.08587	13.8
120.08021	8.0
121.10122	16.4
123.08080	21.0
123.11697	15.0
125.09635	10.2
127.03923	28.3
131.08553	10.4
133.10126	44.9
135.08063	5.3
135.11684	6.7
145.04910	11.1
145.10091	6.6
147.02617	4.3
147.11696	23.9
149.09608	18.4
149.13266	11.4
151.07498	8.9
151.11220	8.1
153.09109	14.8
159.02931	6.8
163.14833	5.0
165.12785	8.9
169.12201	10.3
173.13297	22.5
175.14844	14.8
183.13785	26.1
191.14314	31.0
209.09674	4.3
209.15346	61.5
227.16397	86.5
229.15463	8.2
267.06659	4.7
286.65967	5.1
313.06894	5.2
314.27112	5.0
414.24695	4.3
432.53748	4.5
475.31964	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01871	3.2
55.05500	4.0
55.26699	0.9
57.03433	3.4
57.07056	2.2
58.30027	1.0
58.87683	0.9
59.48120	1.0
61.02923	2.9
62.48034	1.0
67.05497	5.8
68.99778	1.4
69.03430	18.5
69.07065	2.9
70.03348	4.1
70.06586	1.5
71.04990	29.1
72.08157	1.3
73.02922	1.7
75.52306	1.1
75.89317	1.0
79.05482	2.9
81.03419	17.0
81.07053	6.7
83.04971	1.7
83.08611	4.8
85.02906	28.1
85.06548	10.2
86.09707	1.0
86.55598	0.9
87.00832	11.3
91.03976	1.1
91.05477	3.7
93.07045	6.0
95.04977	2.6
95.08596	7.8
97.02878	8.3
97.06516	3.2
97.10202	1.0
98.20773	1.2
99.04453	100.0
105.01881	6.7
105.07019	7.7
106.70744	0.9
107.08583	18.5
109.02879	9.7
109.06507	4.3
109.10170	8.7
113.05997	1.5
113.09637	4.7
115.07581	1.3
117.01845	2.5
117.06985	1.2
119.08571	4.2
120.08158	1.4
121.10156	7.4
123.08068	14.1
123.11690	9.6
125.09639	5.0
127.03910	17.9
129.01886	1.8
131.08563	3.3
133.10120	12.3
135.08107	2.1
135.11726	1.6
135.34839	1.1
137.05948	2.0
137.09647	1.7
139.11168	3.8
141.09106	1.0
145.04973	4.9
145.10121	3.0
147.11682	4.0
149.09641	2.7
149.13245	6.8
151.07535	1.8
151.11188	5.2
153.09155	1.4
159.02919	5.7
163.07518	1.6
165.09070	2.0
165.12772	3.3
167.10657	2.3
169.12224	17.9
173.13281	6.2
183.13809	22.2
187.14783	1.2
191.14246	5.6
209.15398	17.5
212.07924	1.3
227.16417	71.4
231.05008	3.2
252.09384	1.2
266.05807	1.1
269.04309	2.6
287.05475	2.4
290.12042	1.1
295.06015	6.9
296.06345	19.7
297.03903	3.9
297.07300	1.8
312.08691	2.3
313.08987	4.1
475.31662	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.1
55.01865	8.5
55.05497	15.8
57.03432	12.4
61.02922	10.3
67.05507	31.0
69.03418	42.4
69.07076	27.1
70.06596	14.2
70.50216	20.5
71.04984	28.6
74.06075	17.2
78.26138	4.6
79.05489	21.8
81.03419	19.4
81.07041	41.9
82.06587	7.2
83.04987	17.7
84.04501	16.1
84.08176	7.2
85.02903	54.3
85.06535	20.1
86.09707	68.4
87.00816	21.1
91.05473	27.3
93.07026	47.6
95.04960	17.1
95.08604	43.3
97.02888	28.8
97.06527	66.8
99.04486	17.8
99.08120	6.6
100.07620	7.8
102.05558	9.4
105.01871	19.4
105.07014	33.5
107.04953	13.5
107.08590	64.9
109.02879	23.0
109.06519	28.7
109.10178	30.2
109.72658	6.7
111.08101	11.6
113.06013	5.5
115.07590	5.8
117.07059	9.8
119.08580	23.1
120.08080	9.8
121.06499	18.8
121.10136	50.8
123.08048	20.4
123.11731	9.3
124.07607	8.9
125.06006	6.4
125.09621	15.1
127.03927	42.5
127.07571	5.3
128.07147	5.2
129.06949	8.5
131.08568	25.0
133.10161	41.7
135.08034	18.0
135.11688	17.5
137.05946	7.9
137.09625	7.9
138.09146	8.2
139.07524	6.6
140.06970	6.4
145.04961	8.6
145.10060	12.0
146.06039	10.5
147.11696	19.0
149.09618	40.0
149.13251	29.6
151.11195	26.5
161.13272	7.1
163.03880	7.9
163.11124	6.0
163.14824	17.4
165.12723	7.3
166.08670	11.3
169.12239	10.9
173.13182	33.4
179.14278	5.2
189.12665	6.4
191.10358	7.3
191.14323	58.1
201.12361	7.4
203.10344	9.5
207.13788	6.9
209.15366	100.0
215.13954	10.9
227.16460	28.2
231.09846	10.7
245.18373	8.8
275.16263	6.3
313.07053	6.2
313.11011	7.0
421.25647	6.6
457.29828	7.4
475.16000	6.1
475.31155	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05501	0.9
55.59895	0.4
57.03423	0.5
61.02920	1.4
65.03939	5.8
67.05499	1.8
67.10602	0.4
68.99792	1.7
69.03433	1.1
69.07072	0.9
69.37646	4.3
69.38060	1.0
71.03625	0.4
79.05486	1.2
79.30043	0.4
80.24713	0.5
81.03403	1.1
81.07048	2.1
83.04974	0.4
85.02902	1.8
87.00851	1.2
91.05482	100.0
92.05814	1.4
93.02888	0.5
93.03385	2.8
93.07060	1.3
95.04984	0.8
95.08609	2.8
97.02904	1.7
98.20714	1.0
103.05452	0.5
105.03405	0.5
105.07040	4.1
107.04971	0.8
107.08568	1.2
109.02898	0.6
109.10165	2.0
115.05453	1.3
117.07056	0.8
119.04951	1.2
119.08567	1.0
121.10111	0.7
123.08082	1.4
123.11750	0.6
127.03927	1.0
129.01851	1.0
129.06990	0.6
131.04982	0.7
131.08528	1.0
133.06479	0.9
133.10138	1.0
135.08064	0.8
135.11682	0.5
137.09650	1.3
143.05008	0.7
145.10161	0.8
147.04385	0.8
149.02376	0.6
149.09436	0.5
151.07553	5.3
155.04993	0.6
159.04361	0.6
161.02298	1.1
161.05986	0.9
163.03902	1.2
165.09108	6.3
167.03403	3.0
167.08601	0.7
173.02293	0.6
175.03972	1.8
176.10513	0.5
177.09221	0.6
178.07788	0.6
179.03464	2.3
181.01459	1.1
189.09149	0.5
191.03423	5.8
191.10686	1.6
197.04396	0.9
201.05531	0.8
203.03412	2.9
205.04918	0.8
209.06067	0.7
215.03500	1.6
219.06520	0.6
221.09764	1.0
227.07224	0.6
229.04979	1.3
233.04456	7.3
237.09155	0.9
238.66924	0.5
239.06975	2.4
245.04549	1.7
251.07043	2.1
257.04416	1.6
257.08118	4.7
265.08636	1.9
269.08298	2.3
275.05539	1.5
279.10223	1.2
281.08127	1.7
293.08063	17.1
294.08377	0.5
297.07645	1.4
305.08044	1.2
307.09607	1.0
311.09143	6.6
317.08255	1.7
323.09106	3.8
335.09103	17.3
335.13052	1.0
343.04593	0.6
353.10150	6.4
367.06967	0.6
371.11288	1.1
409.09192	1.2
421.09372	1.4
428.59866	0.5
439.10443	3.5
457.11148	2.8
475.10382	1.0
475.32700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.3
55.12074	3.1
59.11366	2.9
67.05507	7.9
69.03430	46.7
69.07072	8.0
69.77179	3.9
70.06570	5.1
71.04983	3.7
71.57397	3.4
71.57823	5.0
79.05488	7.1
81.03410	11.7
81.07066	11.1
81.72849	3.1
83.04960	5.9
85.02901	15.3
86.69904	3.5
87.00822	9.0
91.05472	7.9
92.05827	3.9
93.07024	9.0
95.08602	15.3
97.02927	5.2
105.01871	5.6
105.07030	12.7
107.08596	25.5
108.08920	7.8
109.02833	9.3
109.06521	5.9
109.10165	4.9
119.08592	13.7
120.08920	5.4
121.06493	5.4
121.10136	12.4
123.11687	5.9
125.09633	18.1
127.03934	7.7
131.08577	8.0
133.10149	9.3
135.08073	7.7
135.11679	9.2
145.04956	4.2
147.11690	4.1
149.09593	8.8
149.13242	3.8
151.07535	10.3
152.07874	6.6
153.09122	4.3
161.13254	6.3
162.13596	9.2
163.14809	7.0
173.13301	24.7
179.14424	4.5
181.22484	3.5
191.14299	65.7
207.13753	9.6
208.14156	9.6
209.15363	100.0
225.14862	7.2
226.15219	12.3
256.37271	3.3
270.74600	3.8
294.24133	4.0
312.25610	4.5
474.30563	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25615	1.5
55.01867	2.1
55.05512	4.0
57.03447	2.6
57.07062	2.7
58.97692	1.5
67.05503	6.8
68.99790	1.7
69.03433	8.6
69.07059	3.8
70.06606	2.6
71.04992	5.5
79.05492	5.5
81.03421	8.0
81.07072	10.3
84.04480	1.6
85.02903	15.8
85.06524	3.8
87.00817	7.1
91.05480	11.9
92.05810	1.5
93.07037	5.7
95.04969	5.3
95.08602	8.1
97.02901	7.1
97.06541	5.8
99.04433	3.0
105.01867	5.6
105.07008	17.0
107.08591	10.7
109.02863	5.5
109.06516	62.7
109.10153	16.2
111.08058	1.9
117.07037	3.8
119.08578	5.4
120.08096	2.2
121.06439	1.7
121.10163	5.8
123.08083	8.7
124.07573	1.6
127.03938	9.7
129.06989	1.9
131.08562	27.0
133.09113	3.3
133.10126	65.8
135.08051	27.8
135.11688	2.8
137.05969	2.0
143.08560	3.2
145.04962	2.4
145.10117	3.7
147.04428	2.3
147.11697	6.0
149.09641	2.8
149.13280	3.1
153.09064	3.9
158.10904	4.3
159.02922	3.7
161.09662	1.6
165.09077	8.5
166.09433	5.8
173.13261	45.1
173.14702	3.4
191.10641	3.8
191.14302	100.0
192.14639	2.8
199.57741	1.5
205.12216	2.5
206.12604	3.3
207.40158	1.6
209.15356	39.0
229.61079	1.5
231.05025	1.9
252.23164	2.1
276.23279	2.5
294.24292	3.5
300.12033	1.7
312.25348	3.5
415.15198	6.5
430.17877	1.8
456.15512	1.6
474.09357	2.6
474.16208	6.3
474.30347	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24493	9.0
51.96962	8.5
54.16154	10.8
55.05502	12.9
67.05496	20.8
69.07045	25.0
70.84584	23.1
70.84979	18.1
81.07044	38.9
83.08601	15.2
91.05487	27.0
93.07030	53.4
95.08594	83.7
100.17044	9.7
105.06996	38.1
107.08600	67.9
109.10157	39.4
115.07557	13.6
117.89325	10.7
119.08569	88.8
121.10128	54.3
123.11723	19.4
125.09595	11.0
129.93362	9.6
131.08551	18.9
133.10132	100.0
135.11658	44.3
145.10121	64.9
147.11670	96.1
149.13211	17.8
157.10170	10.8
158.10820	12.4
159.11719	33.3
161.13232	41.5
163.14743	21.3
171.11644	19.6
173.13263	29.6
175.14841	22.9
187.14841	37.8
189.12738	18.4
189.16325	70.0
191.17935	41.7
198.21091	11.7
199.14738	10.4
201.16385	19.0
203.17947	65.6
215.17923	24.7
265.30341	11.0
395.33185	65.7
398.84323	10.2
413.34433	17.4
473.36960	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3621
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.02385	1.1
53.03941	1.2
55.05510	12.2
57.03409	1.5
57.07073	1.2
58.57573	1.1
59.28213	1.0
61.75833	1.0
67.05499	25.9
67.17162	0.9
69.07061	12.9
70.34405	1.0
71.47977	2.6
79.05486	13.4
79.05910	1.5
81.03428	1.1
81.07053	26.6
83.05000	2.0
83.08611	6.7
85.06557	1.3
87.80338	0.9
88.07658	1.0
91.05474	21.8
93.07034	16.8
95.04947	1.4
95.08600	21.8
97.06508	2.3
97.10159	2.7
105.07020	31.2
106.62260	1.1
107.08594	10.0
107.52951	1.0
109.06514	1.9
109.10149	11.0
111.08073	1.8
111.11751	1.4
117.07001	7.0
119.08575	22.1
119.09361	2.1
121.10123	8.1
123.08091	1.5
123.11699	2.4
124.38655	1.1
127.70407	1.0
129.06987	2.9
131.08546	15.0
133.10127	16.7
135.11687	3.9
137.13254	1.4
143.08560	4.3
145.10109	10.5
147.11659	11.0
149.13289	1.4
155.08578	2.5
157.10115	3.7
159.11717	8.7
161.13200	6.9
169.10185	2.3
171.11717	2.8
173.13268	6.9
175.14844	2.2
178.94936	1.0
183.11676	1.5
185.13321	2.1
187.14815	3.1
195.11723	1.3
197.13318	2.8
199.14729	1.6
201.16377	1.3
209.13223	1.1
209.15430	1.2
213.16396	1.3
225.16444	1.2
237.18625	1.3
247.17078	1.3
256.26309	3.0
261.18680	1.3
275.20053	1.8
279.23438	1.7
285.22198	1.6
289.21573	1.6
303.23178	2.7
313.25452	1.6
317.24713	3.2
329.24826	1.7
331.26395	2.4
419.32678	3.3
437.34198	11.9
455.29953	1.1
455.35361	11.4
473.36276	100.0
474.36661	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
67.05495	1.1
69.03420	2.2
69.07077	0.7
69.30017	5.3
69.30433	1.5
70.06581	2.7
71.04980	0.6
71.84309	0.6
81.03404	2.0
81.07050	1.2
85.02895	2.7
85.41003	0.6
86.09717	1.7
87.00851	0.8
91.05501	1.2
93.07041	0.9
95.04974	0.9
95.08608	1.7
97.02873	0.7
98.21465	1.2
99.04461	1.0
105.07035	2.2
107.08582	1.0
109.02870	1.1
111.08114	0.6
119.08585	1.2
123.08090	0.9
127.03902	1.8
133.10065	0.7
143.01917	0.6
145.05037	0.8
145.10103	0.8
146.06020	0.8
147.11719	1.2
149.09622	1.3
151.07533	1.8
163.11205	0.6
189.12775	2.5
194.83064	0.6
203.05286	5.4
207.12085	0.8
207.13815	3.0
225.14851	1.8
234.47858	0.7
249.14598	5.0
251.13039	0.6
257.05157	0.7
269.12378	1.2
293.13416	2.1
311.14655	22.8
350.79199	0.8
353.14618	0.7
411.19937	1.8
473.19937	100.0
474.20438	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.1
55.05498	19.6
67.05172	5.0
67.05504	21.9
69.03430	16.5
69.07066	13.5
69.70014	13.7
69.70433	26.0
70.06589	10.0
79.05495	28.2
81.03420	17.4
81.07047	41.8
83.04956	10.4
83.08633	7.2
85.02897	11.6
87.00803	6.6
91.05470	31.6
93.07040	47.3
95.04970	7.5
95.08609	31.8
97.02901	10.0
97.06525	25.1
99.04420	7.2
103.40778	4.9
105.01875	6.8
105.07030	62.9
107.08588	96.7
109.02889	42.4
109.06555	8.7
109.10150	16.5
119.08575	88.6
121.10138	34.0
123.04464	6.2
123.08087	14.7
123.11613	7.5
125.09685	7.7
127.03893	13.2
133.10129	19.4
135.08032	11.2
135.11658	8.7
137.05980	10.7
139.07628	7.9
140.63597	5.6
145.10158	10.5
147.08044	5.6
149.09592	9.6
151.07549	87.4
153.09117	6.9
159.02861	7.1
161.13266	100.0
163.14885	9.0
165.09103	16.9
173.13164	6.4
179.14317	33.5
189.12744	14.6
191.14333	7.6
207.13792	93.0
209.15372	10.4
225.14842	80.7
225.16878	7.6
311.12927	13.2
473.13852	9.0
473.19958	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30344	0.6
64.18630	0.7
69.03418	1.0
69.07037	0.9
70.06575	1.3
70.90518	1.9
71.04975	0.6
72.08141	1.7
79.05464	0.7
81.03441	1.4
85.02894	2.4
85.06522	0.8
85.84991	0.7
86.09703	4.2
87.00822	0.7
91.05476	0.8
93.07043	1.0
95.08604	1.0
97.02895	0.7
105.01856	1.0
105.07012	0.7
107.08612	0.9
109.02839	1.0
109.06568	0.7
118.06537	0.7
119.08566	1.0
121.10155	0.9
127.03929	1.8
146.06039	0.8
147.11584	0.7
149.09637	1.2
151.07550	1.1
165.12714	0.9
189.12761	1.8
203.05263	4.2
204.20438	0.6
207.12143	0.7
207.13878	3.5
215.13788	1.0
225.14903	1.2
243.13388	0.8
249.14603	3.9
251.12526	0.8
269.12286	1.1
293.13104	1.2
311.14630	20.9
411.19830	1.6
473.19922	100.0
474.20386	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32649	0.4
53.93399	0.6
67.05470	0.6
69.03428	1.0
69.07068	0.9
69.44501	2.0
69.44927	2.5
70.06588	8.0
70.87408	0.5
74.02432	0.7
78.55701	0.5
79.05496	0.7
81.03427	0.6
81.74203	0.4
85.02888	1.2
86.09705	3.1
88.03978	1.1
91.05517	1.1
93.07071	0.9
97.02926	0.7
104.26662	0.5
107.04993	0.6
109.02847	0.6
118.06535	1.8
119.04928	1.0
125.07089	0.8
127.03912	1.1
136.07582	2.6
137.07893	0.5
143.01883	0.8
143.03133	0.6
146.05988	4.8
163.03911	1.6
165.05499	1.3
182.08177	1.6
183.08156	0.5
185.09218	1.1
203.05283	4.7
207.13860	1.5
249.14671	3.5
260.10443	0.8
269.12402	1.1
286.10626	0.7
293.13486	1.7
300.13312	0.5
311.14694	14.2
411.19855	1.8
413.17252	0.9
473.19928	100.0
474.20303	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.0
57.03434	7.3
57.07065	2.8
61.53546	1.0
65.03958	1.8
67.05498	29.8
69.07066	16.4
69.78824	6.2
71.05016	1.3
71.08617	1.4
75.06977	1.0
79.05490	10.0
81.07054	31.1
83.04999	1.5
83.08622	7.3
85.06534	1.3
86.28544	1.1
91.05460	8.3
93.07050	8.9
95.05011	1.4
95.08601	22.4
97.06509	2.1
97.10155	4.7
99.08131	1.2
105.07008	5.5
107.08576	4.9
109.10161	8.4
111.08066	1.5
112.07174	1.1
117.07015	1.2
119.08543	6.0
121.10158	4.5
123.11726	2.6
133.10153	3.9
134.98180	100.0
135.11679	3.5
137.13287	1.4
145.10149	2.4
147.11716	3.0
152.99223	3.1
159.11656	1.3
161.13243	1.6
173.13356	1.2
176.00891	3.7
189.00145	4.5
209.01962	2.0
227.01718	3.4
234.63400	1.2
245.27625	1.1
321.22635	1.7
337.27353	50.9
338.27698	1.3
359.25607	12.9
471.24786	52.1
471.34967	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2376
Annotation	Subtrifloralactone L
Peak:m/z	Relative Intensity
53.03931	4.0
55.01869	7.3
55.05500	9.9
57.03433	5.2
61.02919	3.4
67.05505	36.1
69.03429	8.0
69.07057	28.6
69.46586	27.5
76.76852	3.0
77.28773	2.9
79.05492	38.0
81.03412	24.2
81.07054	33.3
82.04195	12.6
83.04972	10.1
83.08602	5.8
85.02921	3.5
88.52855	3.4
91.05464	29.3
93.07038	33.9
94.07806	3.8
95.04965	48.6
95.08614	23.8
96.09386	4.9
97.06516	8.0
97.10119	4.3
98.20734	4.0
105.03425	4.4
105.07016	20.1
107.04948	92.4
107.05626	6.9
107.08579	19.2
108.05729	3.8
109.06506	9.2
109.10161	8.0
115.05499	3.1
117.07011	13.8
119.08563	17.0
121.06497	27.8
121.10126	14.7
123.04436	5.6
123.08049	12.9
124.56243	3.0
128.06227	3.9
131.08597	15.7
132.09357	4.4
133.02831	16.2
133.06483	9.9
133.10120	12.9
135.04341	4.2
135.08020	19.4
135.11688	4.4
137.09642	10.0
139.11185	7.3
143.08525	6.9
143.46510	3.2
145.10124	10.8
147.08058	10.0
149.09613	66.2
150.10396	7.6
155.01053	5.0
157.10100	4.6
159.11670	5.8
161.02348	5.6
161.06062	5.3
161.09645	3.8
163.03923	10.6
163.11189	6.7
173.02316	9.0
173.13277	4.4
174.35066	3.8
179.03416	19.6
183.11647	3.6
190.96405	3.8
191.03372	10.7
199.03844	3.8
203.12727	6.1
209.13246	6.0
217.04953	4.4
217.15749	5.2
224.14157	6.6
227.14397	3.5
237.14851	6.9
245.15335	8.3
246.19806	4.2
251.26901	3.3
263.16376	42.2
269.11615	5.2
273.18463	5.5
274.19168	3.2
275.19971	10.5
280.67282	3.7
284.45114	3.2
291.19540	9.8
292.20306	82.0
293.21030	14.9
394.77377	3.2
407.22076	3.4
417.20523	4.9
435.21680	63.0
453.22577	29.6
471.17163	5.0
471.23822	100.0
471.30167	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
55.01863	14.7
55.05509	34.2
56.96544	8.1
62.67847	6.0
65.03941	12.2
67.05502	70.9
69.03413	10.8
69.07061	47.6
70.29442	5.3
70.43927	5.1
71.04968	9.1
79.05489	65.7
81.03416	42.4
81.07060	57.6
83.04981	17.1
83.08602	16.6
85.02898	13.9
89.03884	5.9
91.05475	63.6
93.07054	59.6
95.04977	35.6
95.08611	64.6
97.06522	17.3
97.10143	11.7
98.21539	14.4
99.08109	6.4
103.05447	8.5
105.07027	43.8
107.04953	63.0
107.08589	39.1
109.06524	13.3
109.10150	35.6
117.07016	24.1
119.04904	12.0
119.08585	33.2
121.06516	16.5
121.10099	21.3
123.04387	9.6
123.08059	19.1
125.09638	10.8
128.06198	8.6
131.04884	7.6
131.08569	25.3
133.06477	11.6
133.10106	18.8
135.04433	7.7
135.08032	24.5
137.09647	14.7
143.08554	18.3
145.10081	11.6
147.04399	18.7
147.08031	12.5
147.11710	7.0
149.05995	54.0
149.09636	42.3
151.07507	10.5
157.10152	8.7
159.04416	12.3
159.11719	18.9
161.05913	10.1
161.09613	13.6
163.03905	55.1
163.07529	11.6
163.11154	15.1
165.09129	10.9
171.11600	9.2
173.02330	15.9
175.11206	18.2
185.05946	8.4
187.03891	24.8
197.06006	10.7
199.03926	17.0
201.05466	14.3
205.12173	36.6
213.05426	11.4
223.13245	64.7
227.07013	8.3
235.13264	12.1
239.59174	6.0
242.05598	7.4
255.06538	38.7
255.10164	18.6
267.10126	9.7
269.11786	14.9
273.18454	26.7
283.13351	10.7
291.19507	100.0
297.11075	9.0
303.04898	11.8
310.12061	34.8
311.12302	9.4
368.62790	5.7
377.01944	9.2
415.08179	9.9
417.20532	24.1
435.21387	14.2
453.23288	7.4
457.28470	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62081	3.4
53.03939	4.5
55.01873	5.8
55.05519	22.3
67.05504	30.6
69.03413	11.1
69.07072	21.5
69.07378	3.4
71.03587	5.4
71.03925	8.2
71.04962	4.5
79.05477	16.8
81.07078	23.5
83.04985	4.1
83.08598	11.2
85.02901	5.2
91.05475	29.9
93.07044	22.4
95.04955	5.5
95.08603	15.1
97.06522	8.3
97.10160	10.4
99.94433	4.2
105.07014	12.3
107.04932	8.8
107.08589	10.4
109.06489	5.1
109.10147	12.6
115.05440	7.4
117.07025	5.4
118.05207	4.0
119.04926	11.1
119.08585	16.2
119.32967	3.7
121.10134	8.6
123.11800	3.8
125.09659	11.2
129.06982	9.2
131.04927	5.8
133.06438	3.8
143.08531	4.8
147.04361	10.2
149.05991	20.8
149.09570	9.4
153.06958	4.0
157.06445	5.9
159.04369	8.6
161.05923	8.6
163.03934	5.2
163.07521	12.6
169.06630	4.0
171.04404	5.3
171.08018	5.1
173.11734	4.0
175.03900	26.4
181.10072	4.6
183.08017	3.9
185.05977	8.0
186.85425	4.4
187.03912	100.0
187.07391	5.2
189.05432	6.2
195.08070	8.0
197.05989	7.9
199.03917	29.0
201.05421	15.9
205.12274	12.1
213.05435	39.5
217.04999	24.6
219.07980	4.7
222.06778	4.6
223.13216	27.7
225.05316	6.7
227.07066	4.7
227.10669	7.5
237.09058	8.3
239.03407	4.6
239.07050	7.2
243.10330	4.7
251.10472	4.9
255.10165	77.4
265.12073	4.6
267.10162	13.6
269.11740	12.9
271.10889	8.2
271.13501	6.5
281.11774	6.0
283.13251	6.3
291.19522	12.4
309.11179	8.7
389.21320	6.4
407.22244	8.9
417.20483	14.2
435.21613	21.6
453.22583	12.2
471.24789	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52391	6.9
53.03937	14.5
55.01859	23.3
55.05502	29.5
57.03420	8.5
65.03935	9.9
67.05505	67.0
69.07071	61.2
71.43175	14.6
75.49814	8.2
79.05492	85.5
81.03416	39.2
81.07054	72.8
83.04967	21.3
83.08620	17.4
91.05493	82.9
91.19081	7.9
93.07037	90.5
95.04970	33.5
95.08607	87.7
97.06486	12.9
98.55847	8.6
101.29456	8.5
105.07028	48.7
107.04967	40.0
107.08590	100.0
109.06516	15.2
109.10154	22.5
117.07040	21.5
119.08580	40.3
121.02825	12.0
121.10143	34.0
123.04468	8.4
123.08057	27.2
125.09694	9.2
127.02965	8.1
129.07002	11.4
131.00201	8.1
131.04955	12.0
131.08574	39.2
133.02838	9.5
133.06471	20.6
133.10141	25.2
135.08044	19.3
135.11670	12.4
137.09633	10.6
143.08537	14.1
145.06430	10.8
145.10115	16.4
146.07388	9.5
147.04416	22.1
147.08070	12.4
147.11752	14.7
149.02356	23.0
149.09608	60.0
151.07526	10.0
157.06528	8.3
157.10117	19.9
159.04404	13.9
159.11684	13.0
161.02342	13.6
161.09648	17.8
163.03908	59.7
163.11166	10.0
169.10175	12.8
171.11736	13.3
173.02347	22.5
173.05997	15.2
175.11203	21.6
187.03909	48.7
191.10660	8.5
193.04959	19.8
197.05910	14.7
198.48032	9.0
199.03877	28.2
201.05502	14.2
207.56822	10.6
217.12213	9.2
227.06854	8.6
227.17995	9.5
237.99986	8.0
245.19220	12.7
251.76576	9.5
255.17326	12.7
267.10245	15.0
269.11667	24.6
273.18527	30.7
283.13046	10.5
286.25259	8.2
291.19550	43.4
297.11325	15.0
309.11499	14.2
311.12836	17.4
407.22345	17.3
417.20660	81.5
435.21658	43.1
453.23029	11.0
471.13806	21.4
479.35129	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.2
55.01863	16.2
55.05506	35.4
55.48015	5.4
56.68670	4.9
57.03437	9.1
57.07101	4.9
67.05502	74.4
69.03402	8.8
69.07067	50.0
69.37449	50.3
71.04983	7.8
79.05493	100.0
80.06262	5.8
81.03415	31.5
81.07054	63.5
83.04978	15.3
83.08602	13.6
85.02884	5.6
89.03876	5.1
91.05476	88.2
93.07036	59.7
95.04964	31.0
95.08604	64.1
97.06513	12.6
97.10166	16.5
105.07018	45.3
107.04948	63.7
107.08578	77.4
109.06504	18.9
109.10180	25.5
115.05459	10.5
117.07014	34.0
119.04891	6.7
119.08556	43.5
121.06467	10.9
121.10147	31.2
123.08045	20.1
125.09631	7.7
129.06995	20.9
131.04929	8.0
131.08574	18.6
132.03542	5.7
133.02827	12.2
133.06554	7.9
133.10086	19.6
135.08072	25.8
136.08830	12.5
137.05904	7.2
137.09589	19.2
141.06989	6.9
143.08528	15.4
145.02797	11.4
145.06406	8.3
145.10100	13.6
147.04356	10.4
147.08127	8.1
147.11658	7.7
149.09601	52.0
151.11226	6.8
157.10143	9.7
159.04430	11.5
159.08118	6.6
159.11682	6.6
161.02370	12.0
161.09634	18.5
163.03915	85.7
163.11137	10.1
163.14870	7.2
169.10088	6.5
172.72636	6.2
173.02330	18.4
173.05956	11.5
175.03874	11.1
175.11186	23.8
183.04358	7.8
185.09628	6.8
187.03894	34.1
187.11137	9.3
189.05405	9.0
194.70897	5.9
199.03882	25.8
201.05438	13.0
203.10660	10.9
213.05524	10.1
227.17958	7.2
245.18990	8.4
251.10663	6.5
255.10196	18.3
255.17458	16.8
269.11636	31.0
273.18530	31.5
283.13251	17.3
291.19513	55.9
311.12814	16.9
313.14139	7.4
363.55838	5.8
382.12796	6.5
391.22662	9.6
399.19449	7.5
407.22186	9.3
417.20493	77.3
435.21539	39.6
453.22894	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01870	11.1
55.05506	22.4
56.96556	5.2
63.68003	4.1
67.05510	40.4
69.07067	38.8
70.83139	5.4
70.83500	11.0
71.04989	5.9
73.48035	3.7
77.00905	8.5
79.05497	38.8
81.03420	20.1
81.07055	71.4
82.08631	3.9
83.04980	9.7
83.08624	12.9
85.02894	7.5
91.05487	41.2
93.07039	32.7
93.95659	4.3
95.04958	30.3
95.08601	36.0
97.02876	4.9
97.06515	9.5
97.10167	15.8
98.21503	4.1
100.26542	4.1
103.05471	5.8
105.07050	28.6
107.04951	25.4
107.08584	29.8
109.06520	11.2
109.10165	16.8
111.08091	4.4
112.60986	4.3
117.07019	15.2
119.04957	4.9
119.08590	27.1
121.06501	16.1
121.10156	15.3
123.08054	11.6
125.09618	6.9
127.52582	4.2
127.59472	4.0
129.07022	11.2
131.08578	14.4
133.06439	5.0
133.10164	13.3
135.04364	4.5
135.08049	10.2
135.11688	6.2
137.09621	5.2
143.08507	9.6
145.10144	14.2
147.04373	9.6
147.08037	14.0
147.11687	6.9
149.06015	6.6
149.09615	21.1
157.10120	12.4
159.04385	4.2
159.11684	7.1
161.09654	8.4
163.03934	20.4
163.11168	5.5
165.09190	6.7
169.10188	4.9
173.02356	8.2
173.06544	8.7
173.11682	6.7
175.11165	7.4
177.05396	4.5
177.12788	4.2
187.03941	17.6
187.08110	5.7
191.03392	8.7
199.03894	15.9
201.05461	6.0
201.09744	9.8
205.09177	4.5
213.05417	10.7
215.03569	5.1
217.10808	5.6
223.13286	8.7
229.12814	5.9
237.89929	3.9
247.11615	5.3
249.14922	5.3
253.12692	3.8
255.06326	5.0
255.10143	9.8
255.17484	6.0
262.80902	4.5
265.12900	35.9
269.11691	5.4
273.18527	28.4
283.13904	50.1
288.14316	4.6
291.19550	100.0
297.11197	5.4
318.34323	3.9
357.23996	4.1
379.52780	4.0
417.20322	6.7
435.21564	11.6
453.22610	6.3
471.25723	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.03416	0.7
65.03937	1.1
67.05506	1.4
69.03419	1.1
69.07064	1.5
69.35916	4.9
79.05482	2.1
81.03412	1.5
81.07043	1.4
84.05396	0.6
85.02917	1.6
91.05476	21.8
93.07028	0.9
95.04985	0.9
95.08601	1.4
105.07010	2.9
106.04176	0.6
107.08595	1.5
109.02869	0.6
109.06532	0.7
119.04940	28.8
119.08584	1.5
123.04497	0.6
127.03941	0.7
129.06952	0.5
130.21202	0.5
131.08592	0.8
135.04387	0.5
145.10123	1.1
149.05977	100.0
150.06325	0.8
151.07513	1.4
157.73817	0.6
163.06287	1.0
163.07550	12.8
163.11229	0.6
170.15265	0.6
173.09666	1.1
175.07513	0.8
190.54385	0.5
203.14520	0.6
205.10220	0.5
205.12234	53.8
223.13283	97.7
224.13730	0.8
239.07175	0.6
253.08913	0.5
266.05612	0.6
267.06519	1.2
295.13846	0.6
309.11102	2.0
311.49100	0.5
355.96317	0.6
380.94147	0.5
382.94394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
53.85627	4.4
55.01865	10.3
55.05512	26.7
56.96563	10.0
57.03432	7.8
59.04995	5.5
67.05498	80.3
69.03428	9.6
69.07066	36.6
71.04985	12.6
71.19584	13.2
73.02916	4.7
74.54839	5.0
75.25483	4.2
76.02216	10.7
79.05502	31.1
81.03412	10.3
81.07061	49.9
83.04992	13.4
83.08613	10.9
85.02889	12.6
91.05476	55.1
93.07034	41.2
95.04939	9.4
95.08611	46.4
97.02896	5.6
97.06553	7.8
97.10171	16.2
98.97572	11.0
100.15420	4.4
103.05450	6.6
105.07027	25.3
105.46799	4.9
107.04943	10.7
107.08584	22.7
109.06553	4.7
109.10159	52.4
111.08045	7.5
115.05460	19.6
116.06200	4.2
116.98633	10.8
117.06996	17.5
119.08566	40.9
121.10134	21.8
123.08040	8.5
123.11713	4.9
125.09628	7.3
129.07037	12.9
131.04918	12.9
131.08585	9.3
133.06461	4.9
133.10130	12.6
134.99666	11.8
135.08066	9.7
135.11589	10.2
137.09602	33.9
139.11154	4.4
141.07031	6.3
143.04919	6.0
145.06493	14.5
145.10170	10.7
147.04407	10.3
147.07994	11.4
149.09520	5.0
149.13255	6.5
153.00778	7.0
153.07022	9.9
155.08499	4.8
157.06526	14.3
157.10075	6.9
159.04405	17.5
161.05991	44.1
163.11113	6.0
165.09111	13.7
167.08557	7.3
169.06528	7.1
171.04404	16.2
171.08060	5.6
171.11694	7.3
173.05997	41.9
173.11736	13.9
175.03902	8.4
175.07651	5.8
177.00624	6.1
177.05490	14.5
179.04868	9.1
179.08481	6.2
181.06499	15.7
181.12265	6.8
183.04420	10.2
183.07967	9.7
184.05200	7.1
185.05943	23.3
185.09563	5.3
187.03879	88.8
187.07558	10.4
189.05550	9.9
195.08031	11.4
197.05980	16.9
197.09645	7.3
198.06760	10.3
199.03894	39.1
199.07480	22.2
200.04660	24.6
201.05461	100.0
201.07208	8.7
201.09120	8.2
202.06186	9.4
203.06927	6.1
203.10716	4.6
205.04932	25.1
209.06036	5.5
209.09680	14.3
210.06819	8.2
211.07535	18.4
213.05435	59.5
213.09120	18.0
214.06265	7.0
215.07062	15.3
217.04997	12.7
223.07535	11.7
224.08377	6.0
225.05399	11.7
225.09093	23.3
226.06229	10.6
227.03404	17.2
227.07036	21.3
227.10597	24.8
229.05032	8.3
229.08636	13.6
235.07530	8.1
237.09035	13.7
239.03326	18.4
239.06979	12.1
239.10687	6.7
241.05150	8.9
241.08604	15.9
243.06602	7.6
243.10217	9.5
245.11758	10.0
251.10712	13.1
253.08585	17.6
253.12270	5.9
255.06783	7.0
255.07246	8.1
255.10158	65.1
259.06314	11.8
267.10217	23.7
269.11771	25.3
271.13196	34.7
275.20013	7.8
279.10318	6.2
283.13348	14.8
295.13058	5.6
297.11093	7.3
309.11142	16.1
309.20395	8.1
315.12354	5.5
337.14282	16.4
339.15967	5.4
355.15649	8.7
365.13736	30.4
365.20944	6.1
367.15375	13.1
380.99640	5.0
383.14783	25.9
385.16592	8.8
393.20596	17.7
407.22232	8.3
411.21600	18.2
417.20520	18.6
425.23489	10.6
435.16098	9.5
435.21576	70.5
440.34610	5.3
453.22726	96.6
471.23941	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01858	1.3
55.05504	1.3
57.03417	1.2
59.18114	0.8
61.02916	1.2
65.03936	0.9
67.05492	2.5
69.03423	4.1
69.07060	1.6
69.11076	0.6
69.68352	5.6
79.05490	2.1
81.03402	4.2
81.07040	3.6
83.04980	1.7
85.02905	7.9
87.00809	1.4
91.05476	1.9
93.07008	1.7
95.04963	1.9
95.08584	2.7
97.02876	1.8
97.06538	0.9
98.97538	0.8
99.04443	1.5
102.38154	0.7
105.01854	1.7
105.07002	2.5
107.04936	1.8
107.08555	1.5
109.02847	1.3
109.06515	1.5
109.10146	1.2
111.08047	0.8
117.07036	0.9
119.04943	0.9
119.08574	2.6
121.06513	0.8
121.10137	1.2
123.04430	8.9
125.09671	0.7
127.03908	6.7
129.06927	0.8
131.08495	1.2
133.10110	2.0
135.04381	0.8
135.11734	1.1
137.02351	8.1
137.05930	1.4
137.09616	0.9
141.06981	1.4
141.24828	0.8
143.08566	1.5
145.04979	1.0
145.10120	2.0
147.04398	2.2
147.07993	1.3
147.11702	1.4
149.09612	0.9
153.07101	0.9
157.06448	1.6
159.08025	1.1
161.05969	1.7
162.02888	0.8
163.11263	1.1
165.07085	1.0
165.09142	0.7
168.26633	0.9
169.06477	1.1
171.08073	2.2
177.16393	0.9
181.06474	1.1
182.07291	0.9
183.07999	1.5
184.19017	0.7
185.06012	1.8
187.14771	3.2
193.10162	0.8
197.05983	1.1
198.06664	1.0
199.07559	1.8
205.12175	0.9
205.15851	2.9
211.07518	5.8
211.11211	1.6
217.09978	0.9
219.08092	0.9
220.08867	1.0
221.05824	0.8
221.09578	1.8
223.13315	0.9
224.08319	1.4
225.09109	1.0
226.06161	4.3
227.07021	1.2
235.07588	1.2
235.11118	1.1
237.02892	1.0
239.07039	16.5
239.10623	1.1
245.09537	1.6
247.07480	0.9
248.08325	3.7
249.09087	1.3
251.07124	1.0
252.07784	1.8
252.32733	0.8
253.08611	2.7
253.12221	2.1
255.06438	6.6
263.10565	4.5
265.08499	1.7
266.05869	4.2
266.09341	4.2
267.06488	3.6
267.10217	1.2
276.07693	1.3
279.06543	3.8
280.07306	2.2
281.08362	1.7
281.11716	11.4
291.10059	2.2
293.08096	0.9
294.08688	3.9
309.11182	100.0
310.11539	4.0
351.12332	0.8
411.16736	2.4
421.77356	0.9
429.17874	2.3
471.17181	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05506	0.8
67.05496	1.3
68.99780	1.6
69.03413	1.9
69.07053	0.6
70.02884	2.8
70.06603	0.7
74.18586	0.5
79.05497	0.6
81.03409	2.1
81.07037	0.8
85.02903	4.4
91.05462	1.2
93.07018	1.0
95.04978	1.2
95.08585	0.8
97.02878	1.3
99.04442	0.7
105.07004	0.8
107.08598	0.7
109.02887	1.0
109.06549	0.5
109.10144	0.6
111.04454	0.5
113.59303	0.5
115.05454	0.6
117.06992	0.8
119.08534	0.6
121.10117	0.6
123.04424	9.1
127.03899	4.9
128.06206	1.6
129.07039	0.7
131.08568	0.8
133.10092	0.7
137.02335	10.8
137.05984	0.6
141.06953	0.7
143.08519	1.4
145.06444	0.9
145.10130	0.7
147.04422	1.2
149.02368	0.6
153.07042	0.7
157.06532	0.5
159.08072	0.9
165.07019	1.4
169.06450	0.6
171.08075	3.4
172.08731	0.7
179.08545	1.2
181.06485	1.4
182.07248	0.5
183.08064	2.2
185.06003	1.8
187.14737	0.8
193.10175	0.9
195.08008	0.6
197.05978	1.8
198.06703	0.7
199.07550	3.4
200.08403	0.5
202.07814	0.7
205.15877	0.7
211.07545	7.2
211.11105	2.9
217.10295	0.7
220.08736	0.7
221.05933	0.7
221.09633	1.6
223.07623	0.9
224.08299	0.8
225.05463	0.5
225.09187	1.0
226.06216	4.0
227.07077	0.9
231.05022	0.5
231.07930	0.5
234.06769	0.7
235.11169	1.4
238.06241	1.0
238.09779	0.8
239.06998	15.8
239.10655	1.5
242.05792	0.7
245.09694	1.4
248.08334	4.4
249.09085	1.8
251.06967	2.5
252.07849	2.4
253.04895	0.7
253.08606	1.8
255.06479	7.7
263.10745	2.7
265.08600	0.8
266.05753	2.3
266.09381	4.7
267.06537	3.1
267.09909	0.5
276.07870	1.2
277.08533	0.6
279.06494	3.8
280.07272	1.8
281.08521	1.0
281.11713	16.5
291.10172	2.6
292.10956	0.6
293.07990	1.4
294.08798	3.8
309.11197	100.0
310.11563	3.9
333.11169	0.8
480.94794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05322	6.4
58.33079	6.1
61.31233	7.2
65.25582	6.0
70.85190	6.9
70.85548	18.5
86.06073	13.8
98.97547	6.4
102.83984	6.0
130.48900	9.3
159.25589	6.7
245.11365	19.0
307.27289	7.5
309.05640	7.4
427.09668	17.3
471.08765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05485	0.7
61.02898	0.8
66.35217	0.5
67.05516	1.3
67.32968	0.6
69.03426	5.2
70.06580	2.6
70.64480	2.0
71.04993	3.1
72.08146	0.7
79.05473	0.9
81.03413	3.7
81.07045	1.5
83.04965	1.1
84.08114	0.9
84.27152	0.7
85.02906	7.0
85.06532	1.3
86.09704	3.3
87.90337	0.7
89.06030	7.6
91.05478	1.2
93.07019	1.5
95.04957	1.5
95.08604	1.3
97.02874	6.8
97.06544	1.1
99.04438	1.8
105.07003	1.4
107.04923	0.8
107.08593	1.7
109.02874	3.3
109.06509	1.2
119.08538	1.1
121.06441	0.9
121.10143	1.1
122.03642	1.9
123.04418	1.5
127.03911	5.9
131.08598	0.7
133.02843	14.2
137.02341	0.8
137.05922	3.9
137.52602	0.7
145.04956	2.2
147.04396	1.7
148.05209	1.0
149.05991	2.0
150.33453	0.7
161.09607	0.8
163.11176	2.1
165.05409	1.3
167.07016	2.1
175.08623	1.6
178.02617	6.7
181.08562	4.6
182.08949	0.8
193.04956	100.0
194.05286	1.3
199.07568	0.7
205.12227	2.7
215.14038	0.9
223.05797	0.7
223.13216	3.8
239.07079	1.1
243.13145	0.8
256.73508	0.7
265.11456	0.8
274.71497	0.7
281.11679	1.5
291.19495	1.3
294.08432	0.9
307.53580	0.6
309.11218	7.7
309.16840	1.4
427.19531	1.7
471.21964	2.1
471.27316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57197	3.4
53.03943	7.3
55.01866	9.0
55.05510	12.8
55.81309	4.4
56.96556	5.3
57.03437	11.4
59.05000	5.6
61.02930	12.7
65.03931	6.0
67.05503	50.5
68.99748	4.2
69.03430	33.0
69.07067	28.4
69.83342	16.6
69.83743	5.8
70.06596	22.5
70.07415	4.0
71.04995	100.0
71.05372	7.1
71.08654	3.7
72.15096	4.0
73.02924	9.0
79.05497	36.6
79.87549	3.9
81.03417	18.5
81.07060	45.1
83.04993	8.5
83.06115	3.9
83.08598	6.0
84.08149	7.0
85.02906	60.0
85.06545	16.8
86.09724	8.2
86.14666	4.0
87.00834	7.8
87.04484	7.8
91.05471	30.0
93.07051	41.5
95.04949	18.2
95.08610	48.7
96.08149	5.0
97.02897	26.2
97.06551	27.1
98.06087	5.5
99.04449	9.5
103.05500	9.1
105.07030	29.1
107.04964	9.0
107.08599	37.6
109.02881	13.3
109.06521	12.5
109.10167	36.7
110.07159	10.7
111.04456	7.6
111.08101	7.0
114.09203	4.4
115.03914	5.5
115.07558	21.8
116.07909	6.6
117.07025	8.7
119.08582	22.7
121.06512	7.7
121.10149	38.3
123.04417	4.8
123.08051	4.9
123.11719	7.6
124.07607	14.6
125.00037	4.5
125.09611	9.9
126.09104	5.9
127.03934	17.4
127.08701	5.7
128.06241	6.5
129.05508	8.8
129.09157	5.1
130.66684	3.4
131.04950	11.5
131.08585	13.4
133.06494	4.9
133.10139	31.0
134.99780	4.1
135.04442	6.3
135.08142	5.5
135.10207	4.1
135.11681	29.8
136.07574	4.7
136.58888	4.0
137.05981	8.8
137.09619	6.5
138.05560	4.0
138.09192	6.6
139.07588	4.3
139.11194	5.5
141.06992	5.8
142.07820	4.5
143.08568	11.9
145.05005	8.5
145.06487	6.5
145.10150	16.5
147.04425	6.6
147.08064	7.3
147.11623	17.8
149.06015	9.9
149.09610	9.1
149.13217	9.0
150.05560	4.9
150.61424	4.5
151.07654	4.4
152.07127	5.7
155.07050	4.2
155.08472	5.2
156.09395	4.1
157.08801	5.8
157.10150	12.1
158.10951	3.9
159.08095	13.5
159.11708	12.1
160.08665	3.9
161.05998	10.3
161.09647	11.8
161.13232	9.2
163.07541	4.4
164.07101	12.7
167.07143	5.3
167.08603	6.7
169.10184	4.9
171.08078	5.2
171.11700	6.4
173.09602	8.1
173.13261	5.8
175.11217	5.1
175.14815	8.0
177.09114	13.1
178.47609	3.6
179.06886	4.3
181.04959	4.7
181.08667	13.0
184.07411	8.5
185.09734	6.7
185.13251	3.8
187.07555	9.2
187.11211	4.9
189.09047	9.3
191.07018	5.1
195.07986	5.5
197.09714	5.0
197.13206	6.0
199.07451	5.3
199.11176	42.5
199.14908	6.0
200.04794	5.0
201.09068	3.9
201.12772	16.2
203.07066	5.0
205.12160	4.1
205.14244	5.3
213.09169	7.2
215.07021	12.5
215.10771	6.6
217.08617	10.8
217.19518	12.9
231.10190	7.8
235.09679	7.6
235.20576	15.6
241.15933	16.9
244.10414	3.8
247.13310	4.3
253.21646	56.4
259.09793	6.6
259.16980	9.4
271.16882	17.0
271.22675	50.1
272.15762	7.2
277.10742	47.9
278.10815	4.7
289.15024	5.3
289.18039	87.3
289.23468	22.1
292.07367	9.3
307.09637	17.7
307.13327	10.7
307.19043	23.0
307.24637	7.9
433.08374	4.3
433.22153	8.2
451.23105	5.0
469.17044	12.4
469.24323	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	16.6
55.01871	15.2
55.05508	50.3
57.03438	7.5
59.47173	4.0
61.02919	16.5
64.95905	3.7
65.03922	7.0
67.05501	40.3
68.10790	4.3
68.99786	10.2
69.03428	78.3
69.07068	30.5
71.04994	40.7
71.58236	5.5
73.02927	7.1
79.05496	38.3
80.43272	4.1
81.03416	58.4
81.07059	90.0
83.04999	20.5
83.08611	6.6
85.02903	60.6
85.15195	4.2
87.00829	37.4
91.05479	45.6
93.07035	68.2
95.04954	30.0
95.08612	49.8
96.84270	4.6
97.02883	29.0
97.06519	21.3
97.10181	7.9
99.04449	11.7
103.03954	8.3
103.05476	7.0
105.01892	10.3
105.07031	90.0
107.04996	10.2
107.08598	58.3
109.02869	27.4
109.06511	28.5
109.10154	65.5
111.04461	13.0
111.08080	4.7
113.68391	3.9
115.03926	7.5
117.07020	14.1
119.08579	100.0
120.08125	9.4
121.06501	12.8
121.10136	67.5
123.04464	11.4
123.08074	17.6
123.11714	17.7
125.09619	6.5
127.03914	37.9
127.11187	25.9
128.06215	5.9
129.01788	9.6
129.06999	9.5
130.07817	7.5
131.08540	31.7
133.06485	12.3
133.10129	97.7
135.08044	8.8
135.11676	34.2
137.05998	5.3
137.09589	6.8
137.13258	7.0
139.07570	5.2
141.06952	6.8
142.07820	8.1
143.08569	19.5
144.09392	6.4
145.04974	7.5
145.06522	5.0
145.10118	36.8
147.08046	44.4
147.11688	41.2
149.02318	13.6
149.09613	7.6
149.13248	15.8
151.07501	6.8
151.11209	8.0
153.12708	14.2
155.08580	10.0
156.09352	5.6
157.10138	20.6
159.02921	12.2
159.08020	8.7
159.11665	51.4
161.09639	24.8
161.13261	80.7
163.03911	15.2
163.07552	5.8
165.09134	14.8
167.08592	5.6
169.10149	10.6
170.10951	5.5
171.11703	13.8
173.09631	8.7
173.13284	12.0
175.11217	16.1
175.14828	34.1
177.12730	5.9
177.16422	6.8
181.10133	6.5
183.11713	8.2
185.13315	16.9
187.07568	13.4
187.11125	9.0
187.14729	6.5
189.09114	5.7
189.12682	6.8
189.16376	15.6
191.10831	4.7
193.16074	6.0
197.13301	8.3
201.12787	5.5
201.16417	15.6
203.14314	68.6
203.18054	9.0
205.15828	8.3
210.40247	4.2
213.16260	6.2
215.07085	14.2
219.17493	5.8
221.15367	45.1
221.18945	5.5
225.12746	10.9
243.13837	6.0
245.19009	10.2
259.09671	10.6
277.10803	11.5
292.07361	12.1
307.09613	43.5
311.20056	12.6
329.21045	11.0
415.21353	6.1
433.22159	6.8
451.23224	7.6
467.82855	5.3
469.24326	11.0
486.04977	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.4
55.01869	19.9
55.05507	50.2
56.96569	6.6
57.03431	14.6
61.02929	14.4
67.05506	50.7
68.99792	12.2
69.03424	64.7
69.07073	41.6
71.04988	32.3
71.57768	7.5
73.02920	12.8
79.05500	43.7
81.03420	49.0
81.06596	8.2
81.07059	100.0
83.04976	20.3
83.08616	15.1
85.02902	91.8
85.06534	15.7
87.00816	35.4
91.05488	49.3
93.07037	70.3
95.04972	39.8
95.08610	63.4
97.02907	32.5
97.06535	34.4
97.10184	8.7
99.04459	14.6
99.08093	18.3
105.01846	18.1
105.03387	10.7
105.07024	70.2
106.41734	7.2
107.04951	9.8
107.08585	76.6
109.02883	34.0
109.06500	20.7
109.10176	45.4
111.04436	15.2
115.03954	10.6
117.07011	22.1
119.08588	98.1
121.06451	9.6
121.10167	65.5
123.04488	12.7
123.08089	20.1
123.11717	32.3
125.09610	16.3
127.03930	36.2
127.11236	37.8
128.06229	9.7
129.01831	16.4
129.07008	12.8
131.08540	33.1
133.10150	69.5
135.04449	7.8
135.08061	15.8
135.11667	29.5
137.05981	11.4
137.09668	9.0
137.13187	9.9
141.06934	7.5
142.07768	10.1
143.08556	27.7
145.04935	10.3
145.06544	7.2
145.10130	56.3
147.08058	33.0
147.11681	44.7
149.09644	17.4
149.13216	22.0
151.11223	12.3
153.12697	8.3
155.08505	12.7
157.10101	30.2
159.02843	18.3
159.08041	10.1
159.11679	62.9
161.06009	7.6
161.09586	25.7
161.13216	64.2
163.03903	25.2
165.09122	8.4
169.10039	9.3
171.11719	20.7
173.02292	12.1
173.09669	15.8
173.13246	21.4
175.11148	19.3
175.14818	26.4
179.03433	7.5
181.44205	7.4
183.11726	17.3
185.09604	14.2
185.13321	20.6
187.14784	11.0
189.16353	18.3
193.15749	8.7
195.11679	7.7
197.13322	16.8
201.12585	8.3
201.16374	19.8
203.14252	37.3
203.17969	12.3
207.11754	8.6
213.16408	11.9
215.07013	21.9
219.63431	6.5
221.15372	45.0
225.12738	13.4
231.05096	8.9
245.18965	14.8
259.09628	21.5
277.10828	21.0
278.31046	7.3
293.18994	8.9
307.09579	24.8
311.20105	13.5
329.21146	8.3
355.58835	6.0
451.23282	15.7
469.23999	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
54.20407	2.7
55.01859	5.0
55.05506	10.8
56.96552	3.9
57.03436	27.7
63.54365	2.6
66.65810	2.9
67.05505	14.5
68.99761	2.8
69.03423	19.4
69.07066	21.4
70.06583	3.2
71.04996	8.8
71.31319	4.7
73.06353	2.9
79.05496	21.7
81.03406	13.9
81.07052	59.7
83.04980	3.7
83.08620	3.7
84.25333	2.8
85.02884	18.3
85.06538	5.2
87.00825	4.1
91.05476	33.7
93.07034	14.9
95.04966	22.4
95.08609	18.4
97.02887	11.3
97.06526	40.0
97.10126	3.5
99.04475	7.2
99.08087	100.0
105.03388	73.3
105.06992	14.7
107.04948	4.3
107.08574	14.1
109.02888	16.4
109.06511	4.4
109.10223	14.4
111.08056	3.4
117.07030	4.9
117.09112	5.6
119.08595	15.4
121.06475	4.8
121.10145	13.3
121.10992	3.5
123.11719	3.7
127.03893	19.2
131.08527	4.1
133.06503	4.1
133.10149	11.1
135.04422	5.9
135.10660	3.2
135.11688	8.1
143.08534	5.0
145.02855	4.6
145.10098	6.5
147.08110	5.2
147.11681	9.3
149.05957	7.5
159.02979	2.9
159.11690	5.0
161.02373	9.7
161.09637	6.7
161.13252	5.0
163.03889	30.2
163.11194	8.6
165.05591	3.2
171.11757	3.6
173.02353	26.7
173.13257	6.2
187.07536	8.0
203.10732	7.4
203.14281	7.2
215.07004	36.4
216.07402	3.4
221.11734	6.6
221.15422	8.7
239.72028	3.3
259.09686	40.7
260.09885	4.4
277.10703	31.5
289.25290	3.9
292.07285	9.3
307.09641	30.3
368.07706	3.8
469.14905	4.4
469.20538	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01860	0.5
55.05500	0.7
57.03407	0.6
57.07062	0.3
67.05482	1.3
69.03403	1.1
69.07055	1.9
70.83352	0.8
71.04964	0.4
79.05473	1.3
81.03389	0.7
81.07062	2.0
83.04991	0.4
85.02888	1.1
85.06525	0.3
90.76358	0.3
91.05457	1.2
93.07048	1.5
95.04955	0.9
95.08607	1.4
97.06538	3.7
99.08099	0.4
105.06997	1.2
107.04910	0.8
107.08581	1.3
109.02898	0.4
109.10149	1.0
111.04384	0.3
111.08002	0.3
117.07022	0.5
119.04919	0.4
119.08544	1.2
120.08123	0.3
121.06503	0.4
121.10125	0.9
123.04480	0.3
123.05586	0.5
123.08001	0.6
123.11662	0.3
127.03862	0.5
128.06165	0.7
129.06902	0.4
131.08534	0.8
133.06461	0.2
133.10080	0.4
135.04352	0.4
135.08035	0.4
135.11717	0.3
137.05972	0.9
143.08557	0.7
145.02785	0.3
145.06435	0.6
147.04504	0.3
147.11708	0.6
149.02345	0.3
149.05957	1.2
149.13225	0.3
151.07487	0.3
157.10205	0.3
159.08078	0.4
159.11668	0.6
161.02313	1.3
161.06065	0.3
163.03920	2.5
165.05518	0.3
165.09035	0.4
171.08025	0.4
173.02356	2.1
173.06004	0.8
175.07368	0.4
179.08685	0.3
187.04021	0.3
187.63942	0.3
189.09062	0.4
203.10648	0.7
207.08064	0.4
215.06963	3.1
215.08766	0.4
218.07253	0.4
219.08044	0.4
221.11597	1.3
221.15329	0.3
223.07433	0.4
226.06250	0.4
231.17334	0.3
235.07549	0.7
236.08192	0.4
237.05370	0.4
242.05682	0.5
247.07477	0.5
251.10710	0.8
259.09677	3.9
260.09937	0.9
261.09198	0.9
263.07016	0.4
264.07803	1.2
265.04846	0.7
266.05685	0.6
277.10580	2.4
279.06531	3.2
279.10135	1.2
292.07278	38.3
293.07666	1.9
306.08804	0.5
307.09619	100.0
308.09964	4.2
312.68369	0.3
437.59579	0.3
469.15103	0.3
469.20474	4.3
469.31262	0.3
470.19730	0.3
483.83167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38009	2.2
55.05495	3.3
56.52089	1.7
57.03431	4.1
57.07072	19.4
58.06600	100.0
67.05489	5.4
69.07057	4.8
71.08630	16.9
71.58760	3.2
76.07641	58.7
79.08384	1.5
81.07044	6.6
83.08604	5.6
85.10182	8.8
93.07034	2.1
95.08607	10.3
97.10156	2.5
109.10143	4.6
155.01004	2.3
156.04210	2.8
230.07796	2.5
296.29541	7.7
313.27353	81.9
314.27734	8.5
427.57806	1.8
450.29733	6.1
459.45236	1.9
464.54999	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3082
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05466	0.4
56.05023	1.3
57.07069	3.5
58.06602	1.7
59.07384	0.5
60.08162	16.3
67.05499	1.6
67.65975	0.4
69.07044	1.1
70.71280	0.6
70.71637	1.2
71.07374	5.4
71.08618	1.9
76.49678	0.4
81.07052	1.2
83.35558	0.4
85.10193	0.7
86.09702	50.2
95.08595	1.4
98.98460	3.5
104.10738	100.0
105.07013	0.5
105.11111	0.9
109.10152	0.7
109.93324	0.5
124.99998	25.4
133.53780	0.5
135.92270	0.5
143.01112	0.5
163.01544	0.5
180.26047	0.5
184.07335	95.2
185.07794	0.5
258.10959	1.2
264.32172	0.5
285.24194	2.2
317.12439	0.5
391.22766	0.9
442.17902	0.5
450.29874	8.7
451.30026	0.7
468.30872	22.2
469.30975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.308
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
51.89751	1.3
55.05503	4.2
57.03443	8.0
57.07078	32.4
58.07404	3.2
62.06091	21.8
66.57457	1.3
67.05495	8.7
69.07056	5.0
71.08630	23.7
71.58797	2.3
72.08963	1.8
81.07056	10.0
82.07426	1.2
83.08620	8.2
85.10182	11.0
86.10515	2.4
89.06042	1.7
93.12249	1.1
94.33125	1.4
95.08609	15.2
96.08938	2.5
97.10165	4.8
98.98460	25.9
99.11758	1.4
109.10175	5.8
110.10516	2.0
111.11758	1.2
122.51271	1.3
123.11702	2.8
124.01583	1.3
133.08609	2.6
133.66901	1.2
137.00021	2.0
137.13326	1.3
142.02687	1.4
148.29651	1.3
155.01039	26.3
155.02208	2.2
156.01440	2.9
156.68318	1.2
156.97372	1.1
216.06497	1.4
236.02731	1.4
240.23969	2.6
243.11513	1.3
253.25333	1.8
296.29431	15.1
313.27353	5.6
314.27707	36.1
327.28940	100.0
328.29245	3.4
403.37619	1.3
407.25528	3.8
450.27066	5.5
468.31488	1.8
468.39523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
56.05026	0.7
57.92606	0.3
58.02230	0.3
58.06597	0.6
60.08160	7.2
67.05498	0.5
69.03411	0.6
69.07069	0.5
70.06556	0.5
71.07372	2.7
71.17728	0.7
79.05464	0.3
81.03375	0.4
81.07040	1.0
81.56961	0.3
85.02895	2.1
86.03236	0.5
86.09702	33.7
91.05479	0.6
93.07031	0.4
95.04953	0.5
95.08597	0.6
97.02861	0.4
97.06526	0.4
97.19335	0.3
98.98460	3.7
104.10741	5.3
105.07010	0.6
110.07131	0.3
111.08114	0.3
113.31493	0.3
117.06409	0.4
119.08555	0.5
119.28870	0.3
120.08044	0.3
124.99998	25.2
137.05959	0.6
142.08672	0.3
148.05182	1.0
167.03375	0.6
181.08592	6.8
184.07332	100.0
185.07687	0.8
219.19913	0.3
303.05063	1.5
304.05322	3.5
305.05542	3.3
306.05750	5.1
319.70355	0.4
376.10162	0.3
383.13092	0.8
425.14087	2.1
450.22385	1.0
468.16388	0.4
468.23386	2.4
469.13147	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.5
55.05499	13.4
60.08159	25.6
67.05476	15.3
69.03429	24.4
69.07060	20.1
69.32973	12.0
70.06588	27.8
70.26299	44.7
71.04971	25.9
79.05465	19.3
81.03424	24.5
81.07030	37.2
83.04984	19.0
83.08612	19.5
85.02882	42.7
86.09694	72.5
91.05482	19.6
93.07035	43.7
95.04965	28.6
95.08591	44.8
97.02868	24.2
97.06522	38.2
99.04461	14.5
104.10152	11.9
104.10737	73.0
105.07018	33.8
107.08547	16.1
109.06519	20.8
110.68619	11.5
111.08092	22.5
113.81154	10.9
119.08595	30.7
120.08128	22.4
121.06523	63.2
124.99975	43.2
127.03938	17.3
131.08517	19.3
133.10056	16.1
135.08105	12.2
139.07530	11.5
142.76962	12.9
143.08437	14.3
147.11717	37.8
147.14224	13.1
148.52104	12.6
155.08574	13.8
161.05942	16.7
163.03839	20.3
165.12773	12.6
171.11696	12.8
175.11224	21.4
184.07367	100.0
185.13239	11.4
189.09161	18.1
189.12801	12.5
211.13191	16.8
215.06975	43.8
217.08627	11.7
217.12233	53.9
235.13269	98.7
239.11617	14.2
253.14412	79.7
259.09674	65.0
307.13269	19.5
327.13297	33.5
452.08133	12.8
468.22275	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1186
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01872	0.7
55.05502	0.4
55.25967	0.3
57.03448	0.5
64.53464	0.3
65.01353	0.3
67.01855	1.1
67.05506	0.6
68.99780	1.5
69.03443	2.3
69.49377	0.7
69.49791	2.4
70.06569	0.4
72.23898	0.4
79.05496	0.5
81.03396	0.6
84.08118	0.3
85.02896	2.3
86.09691	0.9
91.05431	0.5
95.04987	0.9
97.02881	1.6
98.20708	0.7
98.97580	0.4
99.04446	0.5
107.04945	0.9
109.02889	0.5
111.00808	0.8
111.04426	1.1
120.07991	0.5
121.02864	1.1
123.04421	9.4
127.03889	1.0
129.10258	0.6
136.07607	0.9
137.02339	1.8
147.04283	0.5
149.02339	4.3
151.03899	1.0
153.01823	100.0
154.02145	0.8
155.02217	0.5
157.06482	0.6
161.02316	0.6
161.05922	0.6
163.03868	1.5
164.07018	0.4
165.01837	1.3
167.03416	0.7
171.02885	4.9
179.03369	2.9
185.05957	0.5
189.05432	0.7
191.03380	0.6
195.02872	2.5
201.05452	0.5
213.05458	1.3
217.04933	1.4
219.02870	0.6
229.04924	0.5
230.05315	0.6
231.06560	3.9
241.04918	0.5
249.04044	0.7
257.04419	0.4
258.04861	0.5
259.06024	4.0
279.04785	0.5
287.05484	7.1
287.14014	0.4
303.05026	7.7
304.05319	6.3
305.05682	18.1
429.15186	0.5
467.20538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12416	2.8
52.66359	2.7
53.03953	4.0
55.01844	3.1
55.05499	11.8
56.85300	2.8
57.03437	8.1
57.07063	2.9
60.18775	3.1
67.05499	35.0
69.03414	9.1
69.07076	22.1
69.68652	3.0
70.06588	5.3
70.07836	11.2
70.08253	6.1
70.78199	2.7
74.11223	3.0
76.25016	2.9
79.05492	15.9
81.03419	6.6
81.06583	4.2
81.07048	54.2
82.06564	3.5
83.04956	6.0
83.08601	14.2
85.02888	12.2
85.06528	4.9
91.05486	15.1
93.07042	41.1
94.07386	4.2
95.04953	7.3
95.08595	22.8
96.08900	3.2
97.02878	4.9
97.06517	12.5
97.10184	5.0
98.20823	4.2
99.04468	7.3
99.08099	3.7
100.11239	10.9
105.07016	12.3
107.08579	20.7
109.02875	5.8
109.06525	5.7
109.10126	10.2
111.08068	8.2
117.07018	8.1
119.04970	3.0
119.08548	8.3
121.06496	3.0
121.10135	14.0
122.51585	2.9
123.08077	3.1
123.11741	3.9
124.07642	3.8
127.03936	7.1
128.07043	3.5
131.08549	8.9
133.10123	11.1
135.11667	7.6
140.10661	3.3
145.10019	2.9
147.11708	3.2
149.09647	4.2
149.13266	28.2
154.98187	3.1
159.11697	10.1
162.41702	3.2
163.07576	5.1
165.16400	3.9
168.13812	4.9
177.12782	6.9
182.15419	7.3
195.13818	14.5
196.13237	5.0
210.14847	7.1
269.17456	100.0
303.05057	5.8
304.05286	10.5
331.75082	4.7
339.18210	4.8
466.28922	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01857	0.9
56.96553	1.0
57.03417	0.7
60.04512	2.9
61.02919	0.7
67.05495	0.7
69.03414	2.5
70.06578	1.8
71.56953	0.8
73.02925	0.7
79.05495	0.9
81.03398	1.2
84.96020	0.7
85.02899	5.0
91.05484	1.0
93.96833	0.6
95.04970	1.9
97.02897	2.3
98.97535	3.0
99.08244	0.7
107.04951	100.0
108.05296	1.3
111.75740	0.7
113.90516	0.6
116.07108	0.7
116.98605	2.3
119.11365	0.6
123.04476	0.6
127.03941	1.4
128.98553	0.9
134.13338	0.7
134.99673	2.3
135.04428	1.2
135.37399	0.6
137.05907	1.5
137.82755	0.5
145.34346	0.7
146.99617	0.6
147.04433	1.8
153.01839	3.6
155.04626	1.0
158.99631	1.2
163.03908	2.7
166.08382	0.6
167.07132	0.9
169.06067	0.7
170.99579	0.8
177.00700	2.1
179.07021	0.8
185.41473	0.6
189.00624	0.9
196.44145	0.6
219.01848	1.6
227.06816	1.4
237.02867	2.0
244.07870	2.6
309.08530	0.8
321.09225	0.6
325.10489	3.8
325.60544	0.9
331.10507	1.4
466.14529	1.0
466.28018	0.7
467.17242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19367	4.3
55.05502	35.3
57.03426	7.0
57.07064	8.1
65.03932	5.7
67.05170	8.0
67.05502	100.0
69.03437	6.2
69.07066	20.2
69.98096	15.0
69.98509	9.8
70.06573	6.5
76.42379	4.1
79.05487	45.4
81.03395	12.6
81.07053	41.6
82.99641	4.8
83.05002	6.3
83.08645	11.4
85.02882	6.7
85.06514	4.2
88.07618	13.5
91.05470	40.7
91.62341	7.3
93.07038	33.9
95.04958	16.6
95.08595	44.3
97.06538	7.3
97.10177	14.0
102.09194	7.1
105.07043	27.3
107.04971	6.9
107.08590	26.4
109.06511	6.8
109.10147	53.2
117.07001	8.1
119.08572	26.8
121.10146	18.3
123.08092	7.7
125.09634	11.1
131.08554	11.8
133.10114	22.9
135.08078	8.5
135.11690	11.9
137.09636	20.0
139.11189	11.2
143.08534	5.4
145.10124	9.7
147.11682	10.5
149.02307	23.5
149.09639	10.0
155.08507	6.5
159.11722	4.2
171.43358	4.6
173.11708	15.9
173.13159	8.9
189.11284	8.0
193.04953	32.5
203.12775	5.9
207.13823	7.3
208.01778	4.2
225.14977	4.6
237.07545	32.0
239.18076	5.0
256.26300	16.4
257.19031	7.0
275.20035	40.8
277.21677	5.7
293.21103	18.4
303.04984	44.7
466.31619	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31693	0.8
53.03934	2.2
55.01863	3.2
55.05509	7.5
56.25726	0.8
57.03419	2.0
58.06713	0.8
61.02895	1.0
64.27428	0.9
67.05502	8.9
68.99792	1.4
69.03432	4.7
69.07066	6.5
71.04988	1.6
71.13145	2.0
71.13500	1.2
79.05477	8.8
81.03395	4.6
81.07050	14.4
83.04973	3.4
83.08620	2.8
85.02915	8.4
87.04450	1.4
91.05472	9.6
92.89838	1.2
93.07037	8.4
95.04960	5.3
95.08591	7.5
97.02890	3.3
97.06510	1.5
97.10154	2.5
98.09692	1.9
99.04440	1.7
99.08128	1.0
101.02394	3.0
103.05491	1.3
105.07028	12.2
107.04946	3.7
107.08586	7.7
109.02891	2.3
109.06519	4.2
109.10151	4.3
111.00823	1.7
111.04403	1.0
111.08059	1.3
115.05486	1.7
117.07004	4.3
119.04969	1.8
119.08573	7.8
121.02884	1.8
121.06494	3.3
121.10160	4.0
123.04432	1.3
123.08028	1.8
123.11689	2.8
125.09608	1.7
127.03987	2.0
128.06194	2.0
129.07065	4.5
131.08565	6.2
133.06482	2.0
133.10136	4.2
135.04497	1.6
135.08051	2.3
135.11765	1.6
137.02347	4.3
137.05969	2.3
141.05698	1.0
141.06979	2.2
143.08527	4.5
144.09280	0.9
145.06471	1.8
145.10178	4.5
147.08046	2.3
147.11696	3.2
149.05952	1.2
151.07558	1.2
151.11177	1.1
153.01802	4.6
155.07141	1.0
155.08542	3.0
157.10149	2.6
157.12086	1.0
159.08067	3.6
159.11664	2.0
161.05968	1.6
161.09628	1.9
161.13271	1.3
163.07561	1.1
163.11118	1.1
163.95096	0.9
165.01819	1.3
165.05492	1.1
165.12798	1.1
167.07043	2.3
167.08447	1.0
169.06395	0.9
169.10143	2.4
171.08067	2.6
171.11617	1.9
173.05984	1.3
173.09654	2.6
175.11192	1.8
177.05571	1.0
177.09113	2.0
179.07022	1.1
181.08607	1.0
181.10153	1.9
183.02885	1.2
183.08035	1.3
183.11638	1.6
185.09563	2.4
185.13280	1.1
187.07588	3.6
187.11240	1.2
189.09113	1.4
193.10187	1.4
195.11659	1.9
197.09634	2.6
197.13315	1.1
199.07558	1.1
199.11134	1.5
201.05490	2.7
201.12671	0.9
203.07022	1.7
203.10732	1.2
205.08647	1.6
209.09772	2.0
221.13252	1.1
225.12706	1.0
229.04990	4.8
231.10066	1.4
231.13889	1.0
233.07985	1.2
233.15363	2.5
247.05984	1.1
257.04514	3.7
265.10703	1.7
275.20117	3.6
285.03952	1.3
303.04968	100.0
304.05322	8.4
304.20273	1.2
323.20224	2.7
333.18649	1.6
341.21075	3.0
351.19519	4.2
369.20578	3.8
379.18930	3.8
387.21570	2.2
397.20090	4.0
401.22739	1.3
415.21021	3.2
429.22702	2.0
447.23663	2.7
465.24698	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1752
Annotation	LMPK12020267
Peak:m/z	Relative Intensity
55.01885	2.4
55.05525	2.4
57.03444	2.9
67.05480	4.1
68.99810	3.3
69.03422	8.1
70.06563	3.0
71.58599	3.7
73.02907	2.3
73.33891	1.8
79.05459	4.1
81.03445	4.5
81.07053	4.4
85.02898	11.4
91.05471	7.1
93.07048	10.8
95.04948	3.4
95.08582	4.9
97.02900	6.2
99.04463	3.0
103.05484	4.2
105.07040	6.2
107.04963	4.3
107.08595	3.8
109.02858	3.3
109.06535	2.8
109.10162	4.2
111.08134	3.3
119.08561	5.2
120.08064	3.4
121.02862	1.9
121.06482	7.3
121.10145	3.8
123.08076	2.1
127.03899	2.7
131.08653	2.3
133.06439	2.5
133.10071	4.4
135.04393	2.6
135.08057	3.3
137.02351	5.5
139.02956	2.2
145.06467	3.6
147.04468	2.5
149.05974	100.0
153.01816	4.9
153.12752	2.0
163.03867	2.2
165.01962	2.7
167.07027	78.0
169.01341	2.6
175.07568	6.4
191.07028	5.4
229.04922	4.3
233.07997	4.0
257.04501	2.8
267.10080	2.1
275.09158	4.4
285.11267	6.8
289.32526	2.4
303.04962	71.0
303.08405	4.5
303.12048	4.9
304.05240	4.5
309.11295	3.3
311.11472	3.6
322.28745	2.5
339.11111	2.8
351.67899	2.1
363.11057	2.7
418.99008	2.4
465.28580	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
55.05513	18.8
56.01309	2.5
57.03426	8.2
61.02929	3.3
65.05299	2.3
67.02847	2.7
67.05499	26.5
67.27253	2.4
69.03426	12.8
69.07063	20.3
69.49818	21.6
70.06512	2.3
71.04998	5.4
79.05484	17.7
81.03422	9.0
81.07057	62.6
83.04971	9.0
83.08604	7.6
85.02905	9.5
85.06547	4.2
91.05466	19.4
93.07034	22.9
95.04935	7.7
95.08601	25.9
97.02905	6.5
97.06523	5.8
97.10154	10.5
98.21518	5.0
99.08053	2.7
105.07021	35.1
107.08580	20.1
109.02872	8.3
109.06525	5.7
109.10169	8.9
115.05473	2.3
119.08588	26.8
120.08078	2.2
121.06552	4.2
121.10149	21.9
123.08096	7.2
123.11721	22.1
125.09675	3.2
127.03927	5.7
131.08533	6.8
133.10121	9.3
135.11691	5.5
137.05927	6.0
139.11195	4.7
145.10109	5.7
147.11684	52.4
149.09579	4.5
149.13257	4.1
157.12169	3.1
159.11681	6.7
161.09590	2.7
163.11163	5.0
165.12703	24.5
171.11642	3.3
175.11220	3.4
177.09128	3.6
183.13809	6.5
187.14845	2.9
196.89482	2.7
199.14673	2.8
203.75133	2.4
216.07556	6.1
229.14296	6.9
231.13913	3.0
267.15915	34.2
285.16937	100.0
291.31485	2.5
303.05072	24.1
421.14844	12.0
427.72980	3.2
447.27487	4.0
465.13522	20.7
465.28406	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
55.05511	13.8
59.00521	5.1
60.88069	5.2
67.05508	29.5
69.03433	6.1
69.07059	14.0
69.37361	27.3
69.37801	28.5
79.05479	16.6
81.03396	7.7
81.07054	36.1
83.04990	7.4
83.08614	8.2
85.02906	9.4
87.11996	5.0
91.05466	17.1
93.07060	30.4
95.04993	13.3
95.08601	22.4
97.02901	5.6
97.10149	8.3
98.85787	5.6
105.07018	9.6
107.08598	15.8
109.06522	5.4
109.10149	13.2
119.08624	10.9
123.11745	7.2
131.08540	9.5
133.10167	11.8
135.11742	6.6
137.02336	8.3
213.09038	5.5
228.38197	5.7
303.05017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01851	1.0
55.05503	1.3
55.54597	0.6
56.96564	0.8
57.03420	0.9
58.59337	0.5
61.02913	1.9
63.50887	0.6
67.05489	2.0
68.99802	0.7
69.03429	4.6
69.07056	1.2
71.05000	0.7
73.02846	0.6
73.12794	0.5
79.05487	1.3
81.03409	2.2
81.07040	1.9
85.02903	11.2
91.05457	1.7
93.07046	0.9
95.04980	1.2
95.08594	2.0
97.02891	3.8
97.10199	0.6
99.04447	0.9
104.55008	0.6
105.07038	0.9
107.04942	0.7
107.08543	1.1
109.02880	1.3
109.06560	0.9
109.10150	1.2
111.00758	0.8
119.08585	0.8
119.25435	0.6
121.02837	1.9
121.10165	0.7
123.04405	1.1
124.43867	0.6
127.03905	2.5
128.06303	0.6
129.06952	0.6
133.10060	1.2
135.04436	0.6
135.11554	0.7
137.02336	4.5
145.04950	1.5
145.06453	0.9
151.07533	0.7
151.08672	0.7
153.01817	5.1
161.06009	0.7
161.09602	0.9
163.03906	1.0
165.01849	2.1
201.05421	2.6
219.06454	0.7
229.04939	5.3
229.24156	0.5
229.28789	0.6
231.69370	0.6
243.99866	0.6
247.06134	1.0
255.53816	0.6
257.04367	4.2
274.04916	0.9
285.03928	1.4
303.04977	100.0
304.05212	1.2
319.51492	0.7
331.15875	0.7
349.16818	2.0
367.18195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03948	0.9
55.05511	2.5
57.03443	1.1
59.70994	0.7
61.02917	1.8
65.03933	0.9
67.05507	5.1
68.99790	1.3
69.03423	3.0
69.07064	2.1
71.58377	0.8
79.05502	2.8
81.03407	2.2
81.07065	3.7
81.76784	0.8
85.02912	10.5
87.36815	0.8
91.05492	3.0
93.07061	3.1
95.04932	1.6
95.08607	2.6
97.02914	2.9
97.10136	1.0
102.07086	0.7
105.07056	2.7
105.17598	0.8
107.08590	2.8
109.02908	1.3
109.06527	1.0
109.10183	2.8
119.08595	1.7
121.02866	0.9
121.10201	1.1
123.08092	0.9
125.09607	1.0
127.03938	2.4
131.08589	1.1
133.10135	1.5
137.02362	4.8
147.11671	0.9
149.02382	1.1
153.01845	5.7
159.11789	0.8
165.01852	2.2
201.05479	1.9
203.07104	1.8
229.04973	4.8
257.04514	3.0
275.20029	1.7
285.04041	1.6
297.75168	0.8
303.04999	100.0
303.85025	0.9
304.05820	0.8
307.49976	0.9
316.28131	0.8
323.44385	0.9
336.30399	0.8
337.21231	0.9
357.32376	0.7
370.18057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.83791	0.1
55.05490	0.1
65.03938	0.4
65.53879	0.1
67.05493	0.3
68.99790	1.1
69.03415	0.2
70.06582	0.2
71.47098	0.2
81.03402	0.4
81.07042	0.2
81.37453	0.1
85.02892	0.5
91.05444	0.1
93.03394	0.3
93.07039	0.1
95.04958	0.5
97.02885	0.2
107.04968	0.2
109.02874	0.7
110.45854	0.1
111.00787	1.3
111.02548	0.1
117.07008	0.2
121.02859	1.2
123.04391	0.3
127.03918	0.3
131.04906	0.2
131.52878	0.1
135.04424	0.3
137.02333	4.6
137.03355	0.3
145.06474	0.5
149.02333	0.5
153.01819	5.7
155.04893	0.4
157.06465	0.2
159.04353	0.1
161.05948	0.4
163.03899	0.7
165.01839	2.9
166.02567	0.4
173.06006	0.9
183.02888	1.1
183.04405	0.4
187.03882	0.5
191.03415	0.3
191.07156	0.2
195.02882	0.4
201.05444	2.5
205.04932	0.4
211.03925	0.2
213.05441	0.2
215.03271	0.2
217.05000	0.1
219.06509	0.5
228.04128	0.3
229.04950	5.9
230.05385	0.2
232.03423	0.2
239.03470	0.2
247.05943	1.0
254.26152	0.1
257.04437	3.7
264.80753	0.1
274.04700	1.0
275.05569	0.3
285.03973	1.5
293.37167	0.1
303.04971	100.0
304.05280	2.1
315.04587	0.2
402.37027	0.1
464.28345	0.3
465.10352	0.3
465.19064	0.3
465.28906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.61473	0.5
52.71684	0.5
53.03933	0.8
53.99883	0.5
55.01861	0.6
55.05487	1.6
57.03419	0.9
61.02911	1.3
67.05479	2.5
68.99784	1.1
69.03431	2.7
69.07058	1.4
70.06586	1.0
71.04968	0.7
71.49168	0.7
73.02868	0.6
79.05489	1.0
81.03408	2.3
81.07034	2.5
85.02898	9.7
91.05444	1.0
93.07031	1.8
93.42050	0.5
95.04991	0.7
95.08584	1.9
97.02888	3.7
99.04398	0.5
105.07014	1.2
107.04897	0.5
107.08630	1.1
109.02869	1.1
109.06530	0.8
109.10136	1.1
111.00822	1.1
119.08586	0.8
121.02869	1.8
127.03886	1.9
131.08589	0.7
137.02345	4.0
142.23473	0.6
145.04953	1.2
145.10098	0.8
149.02370	0.7
153.01797	5.7
155.04927	0.7
159.11775	0.5
163.03903	0.6
165.01799	3.2
173.05957	0.8
183.02905	1.2
201.05394	2.5
219.06483	0.6
229.04973	5.6
247.06046	0.7
257.04385	2.8
278.25241	0.6
285.03961	2.0
303.04977	100.0
304.05264	2.5
327.04831	0.7
465.15515	1.2
467.05173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.19886	0.1
56.05005	0.2
56.96540	0.2
57.03454	0.2
61.02908	0.2
63.13211	0.2
65.03940	0.5
68.99783	0.9
69.03421	0.6
69.76272	0.8
69.76685	0.4
70.06583	0.5
71.04975	0.7
72.08121	0.2
81.03415	0.9
81.07040	0.2
84.08134	0.2
85.02901	1.2
86.06074	0.5
89.02156	0.2
89.06032	3.7
90.06378	1.0
91.05492	0.3
93.03397	0.5
94.06532	0.2
95.04955	0.4
97.02894	1.3
98.03221	0.4
105.03417	0.2
109.02876	1.0
111.00806	1.2
115.05428	0.2
116.98602	0.2
117.07024	0.2
119.82275	0.2
119.83169	0.1
121.02887	1.3
123.04430	0.6
123.08032	0.3
127.03909	0.9
128.04300	0.2
131.04927	0.3
133.06522	0.2
135.04379	0.4
135.06511	0.7
136.06804	0.2
137.02335	4.8
137.05998	0.7
145.02876	0.2
145.04953	0.5
145.06512	0.5
147.04428	0.3
149.02371	0.6
149.05919	0.3
153.01836	4.8
154.04922	0.2
155.04897	0.4
161.05974	0.5
163.03906	1.1
165.01817	2.5
166.02644	0.4
169.01274	0.3
173.05989	0.6
177.05511	0.2
179.03421	0.3
183.02867	0.9
183.04298	0.4
187.03894	0.5
191.03358	0.2
195.02870	0.3
201.05452	2.2
205.05042	0.3
213.05417	0.2
219.06491	0.4
228.04086	0.3
229.04971	6.2
239.03561	0.3
247.05904	0.9
257.04443	3.5
267.11475	0.2
274.04703	0.7
275.05460	0.3
285.03979	1.5
285.12369	0.2
299.53848	0.2
303.04987	100.0
304.05276	1.2
447.39822	0.2
465.10306	0.5
465.18790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
67.11379	1.3
69.03418	2.1
70.48570	4.5
78.15243	1.4
81.03378	2.1
85.02891	6.5
87.45882	1.3
90.20362	1.2
96.33322	1.2
97.02888	2.4
115.99203	1.2
137.02357	3.7
153.01788	3.0
165.01802	1.8
201.05476	2.3
228.61212	1.4
229.04851	6.5
233.31035	1.4
241.79562	1.3
257.04431	2.6
303.04977	100.0
371.58432	1.4
376.74515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03935	1.0
55.01865	1.0
57.03426	1.1
61.02910	1.5
67.05508	0.7
68.99782	1.2
69.03423	3.8
69.56433	0.8
69.56772	4.4
70.06576	0.9
79.05479	1.0
81.03394	2.5
81.07032	1.1
85.02896	10.0
86.09697	1.6
86.62232	0.5
87.04461	0.6
91.05450	1.5
93.07033	1.4
95.04947	0.9
95.08588	0.6
97.02890	4.3
99.04454	0.6
105.07033	0.7
107.08595	0.6
109.02848	2.2
109.06502	0.6
110.43395	0.5
111.00787	1.3
120.08100	2.4
121.02852	1.8
123.04419	0.8
127.03901	2.0
135.24652	0.5
136.07623	0.7
137.02310	4.0
145.04919	2.1
148.05159	1.9
149.02238	0.6
149.05539	1.3
152.07051	1.9
153.01801	6.3
163.03880	0.7
165.01781	2.7
173.05975	0.8
179.03426	0.7
181.08592	12.8
182.08934	11.0
183.02834	1.0
183.04347	0.9
195.02832	0.6
201.05423	2.0
229.04927	6.2
241.13409	1.0
247.05989	0.8
257.04446	3.0
267.19485	0.5
274.04901	1.1
285.03842	1.4
285.12671	0.6
303.04974	100.0
304.05289	1.9
315.04703	0.6
455.53430	0.7
465.13672	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03930	0.9
55.01870	0.8
57.03432	0.7
57.16673	0.5
61.02914	2.0
67.05492	0.8
68.99783	2.8
69.03437	4.1
69.71620	2.7
69.72038	1.3
71.04996	0.6
73.02921	0.5
79.05471	0.5
81.03405	2.3
81.07056	0.5
85.02901	9.9
86.09698	1.7
91.34031	0.5
93.07018	0.7
95.04984	1.1
95.08606	1.0
97.02899	2.7
98.20715	0.5
99.04462	0.5
105.07017	1.1
107.04924	0.6
107.08573	0.6
109.17664	0.5
111.00793	2.8
120.08086	1.5
121.02838	1.8
123.04412	0.9
127.03927	2.5
132.77844	0.6
135.11687	0.5
137.02332	7.1
137.05956	1.7
137.68791	0.5
138.09128	1.0
145.04959	1.8
145.06424	0.6
149.02357	5.1
153.01816	9.6
161.05992	1.3
163.03920	1.5
165.01793	3.0
173.06050	0.7
177.05444	1.0
183.02928	1.6
187.03857	0.9
191.03383	0.8
201.05487	1.4
203.83401	0.6
205.04959	2.1
219.02965	1.3
224.30309	0.6
229.04935	6.9
233.04433	1.9
247.06029	1.5
257.04495	5.4
267.19519	1.0
274.04703	2.2
285.03833	1.5
303.04980	100.0
304.05243	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1024
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03928	0.4
55.01861	0.6
57.03412	0.9
61.02918	1.1
65.03929	0.3
65.46981	0.3
65.58705	0.3
68.99789	0.8
69.03424	3.0
71.02235	0.5
71.02583	0.6
73.02884	0.5
73.77572	0.3
75.51846	0.3
76.83672	0.3
81.03405	2.1
85.02902	8.6
91.03930	0.5
93.03384	0.5
95.04955	0.4
97.02893	2.9
99.04443	0.6
109.02869	1.3
111.00771	0.9
111.22449	0.4
115.05459	0.3
121.02900	0.6
124.25149	0.3
127.03934	2.1
137.02332	3.1
145.04941	1.4
149.02315	0.6
153.01816	3.5
161.05989	0.4
163.03944	0.6
165.01863	2.0
183.02856	0.9
188.40727	0.4
201.05444	2.0
219.03001	0.4
229.04965	5.5
247.06125	0.7
257.04443	2.7
274.04559	0.8
285.03806	1.3
303.04968	100.0
304.05411	1.7
315.04877	0.7
345.06055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.36771	0.1
55.01866	0.3
58.39539	0.1
65.03928	0.4
67.01859	0.2
67.05487	0.2
68.99786	1.0
69.03413	0.5
70.06587	0.2
70.56409	0.4
75.16865	0.1
79.05505	0.1
81.03402	0.5
81.07019	0.1
85.02898	0.9
86.09708	0.2
87.05592	0.1
93.03400	0.3
95.04950	0.4
97.02888	0.5
97.06546	0.1
98.20771	0.1
98.97565	0.1
104.05328	0.2
105.03427	0.1
105.07015	0.1
107.04931	0.2
109.02866	0.7
111.00797	1.2
111.04403	0.3
116.98532	0.1
117.03322	0.1
117.07018	0.2
121.02844	1.3
123.04417	0.4
123.08057	0.2
127.03876	0.4
131.04901	0.3
135.04439	0.3
137.02336	4.3
137.03360	0.2
137.06004	0.2
145.02766	0.2
145.04982	0.2
145.06471	0.2
149.02338	0.5
153.01813	5.7
155.04883	0.3
157.06541	0.3
161.05960	0.5
163.03923	1.0
165.01826	2.4
165.03098	0.2
166.02591	0.3
171.02841	0.1
173.05969	0.7
175.00774	0.1
177.05487	0.2
179.03337	0.3
183.02881	1.0
183.04411	0.4
185.05896	0.1
187.03922	0.5
195.02898	0.3
201.05444	2.8
205.04982	0.2
211.03984	0.2
213.05504	0.3
215.03232	0.2
219.06505	0.4
228.04143	0.3
229.04948	5.9
239.03606	0.2
245.04411	0.2
247.05966	1.0
257.04425	3.7
274.02057	0.1
274.04623	0.8
275.05402	0.3
285.03955	1.7
302.04117	0.1
303.04965	100.0
304.05338	2.3
398.55408	0.1
456.40442	0.1
465.10013	0.3
465.19083	0.4
465.26572	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03924	1.4
55.01845	0.6
55.05522	3.1
56.05036	2.1
57.03433	2.4
58.06571	1.4
61.02901	1.3
65.03929	0.7
65.19927	0.4
67.05505	7.1
68.99780	1.2
69.03430	5.6
69.07070	3.1
70.06592	9.4
70.14105	2.1
71.04996	2.1
72.08131	1.4
73.02885	1.5
74.06047	1.4
79.05493	5.0
81.02986	0.6
81.03414	6.5
81.07056	7.6
82.06550	1.0
83.04965	0.8
83.08601	1.1
84.04485	0.8
84.08138	3.9
85.02432	0.6
85.02903	7.5
85.06500	0.7
86.09679	1.6
86.98195	0.4
87.04469	0.6
89.06021	4.8
91.03970	0.4
91.05476	2.7
93.07027	4.9
94.06558	0.9
95.04944	1.5
95.08606	5.4
96.08145	2.1
97.02879	4.8
97.06490	0.9
98.09697	3.5
99.04403	1.7
103.03968	0.8
105.03356	0.5
105.07001	1.4
107.04931	2.5
107.08591	2.8
108.08102	1.2
109.02879	4.0
109.06507	0.8
109.10158	2.2
110.09670	0.9
114.09060	0.4
115.05381	0.5
117.06931	0.9
119.08564	1.3
120.08081	2.9
121.02863	5.2
121.06459	0.7
121.08454	0.5
121.10126	1.3
123.04424	17.1
123.08062	0.9
124.03946	0.6
125.76411	0.4
127.03928	3.2
128.07083	0.7
131.04912	0.8
131.08557	1.0
133.10072	1.2
135.04375	0.5
135.06516	0.5
135.08055	0.6
135.11679	0.8
136.03896	0.4
136.07523	1.3
137.02301	1.7
138.09142	0.6
138.12761	0.6
140.07033	0.8
141.07355	0.5
145.04947	2.6
145.10072	0.8
146.05975	2.0
147.04382	1.3
147.06366	1.7
147.11673	0.8
149.02316	1.0
149.13249	0.8
151.03854	0.8
153.01836	2.5
154.08600	1.3
161.13312	0.5
163.03891	0.7
163.06001	1.3
165.01791	0.5
166.08617	0.8
169.01294	1.7
173.05911	1.0
187.03802	0.5
191.03438	0.6
201.05495	1.1
215.07004	0.5
215.08987	0.6
220.20624	1.2
222.22150	15.0
224.20076	14.8
229.05023	3.7
238.18015	0.5
240.23244	2.0
242.21230	2.3
247.05972	0.8
248.20079	10.5
255.06471	1.0
257.04465	3.8
257.08289	0.5
266.21100	9.3
268.08206	0.5
271.06009	1.0
274.04419	0.7
283.09610	0.8
284.06714	0.8
284.09912	1.8
284.22198	19.5
285.03900	4.8
285.07529	1.5
285.22647	0.5
301.10831	0.6
302.04163	1.7
302.07364	1.7
302.11084	1.5
302.19940	0.4
302.23230	9.3
303.04990	71.6
305.15198	0.4
323.09637	0.6
428.26587	3.4
446.16623	0.5
446.21622	0.7
446.27579	12.4
464.28552	100.0
465.28973	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	2.1
57.03426	1.2
57.62241	0.9
61.02907	1.9
65.03928	1.1
69.03426	13.3
69.07037	1.4
69.43697	1.7
69.44099	6.9
70.06570	1.3
71.04963	2.2
73.02892	2.1
79.05468	4.0
81.03413	7.9
81.07047	2.9
85.02435	1.6
85.02903	24.8
86.09671	1.9
87.00369	1.1
87.00830	10.1
90.25895	0.8
91.05475	2.3
93.07039	6.7
95.08587	1.7
97.02872	8.8
99.04414	4.2
105.01867	11.2
105.07018	9.5
107.04955	2.6
107.08570	5.7
109.02875	6.6
109.06474	2.0
110.06046	6.8
117.01839	1.2
119.08582	2.1
121.06529	1.4
121.10139	40.2
122.10439	1.1
123.08065	1.9
127.03909	15.0
129.01855	1.3
131.08525	1.1
134.06013	1.2
137.05945	1.2
138.05487	2.3
138.47290	0.8
145.05003	6.2
149.09612	100.0
150.09976	2.1
152.07187	1.0
159.02870	3.7
167.10674	20.6
168.38252	0.9
177.09090	1.3
178.09450	1.0
181.12216	10.0
190.33191	0.9
207.51495	0.9
229.05112	1.0
231.04958	3.5
303.04993	8.4
306.75876	1.0
307.95718	1.1
340.09970	1.3
351.02240	0.9
353.43304	1.2
358.11240	3.1
380.15979	0.9
415.15991	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.1
69.03421	5.5
69.07063	2.9
69.40684	13.3
69.41091	4.1
70.06579	7.6
79.05473	2.5
81.03409	3.4
81.07056	3.2
82.06590	2.8
83.08573	1.7
84.04490	2.3
85.02889	8.9
85.61984	1.8
86.09684	6.4
86.80519	2.0
91.03949	2.7
93.07042	2.0
95.04942	2.3
95.08588	3.5
97.02879	7.9
105.07014	2.2
109.02856	4.3
110.09684	13.4
120.08138	4.0
121.00596	1.8
121.10075	2.5
122.59193	2.2
127.03904	5.1
137.02373	3.1
137.06036	2.3
138.09138	46.3
140.07039	1.9
151.51958	2.0
153.01810	6.9
161.11179	1.7
163.03902	10.0
164.04242	5.1
169.01367	2.2
173.05846	2.4
181.04933	2.8
201.05556	2.6
204.61705	2.1
216.91031	1.9
229.04974	5.9
229.15489	3.1
238.16104	13.0
243.06273	3.0
246.14825	4.9
246.64955	2.9
271.06009	9.4
283.09747	2.1
284.09937	5.3
301.10931	3.9
302.07684	8.1
302.11026	6.0
302.26694	2.7
303.04990	100.0
307.25470	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71940	0.3
52.67145	0.3
53.03933	0.4
61.02919	0.5
65.03937	0.3
66.87605	0.3
68.99785	0.4
69.03416	1.0
70.12766	0.3
70.43803	0.3
70.56378	0.8
71.45891	0.2
79.05457	0.3
81.03397	1.2
85.02895	2.8
91.03935	0.3
91.05471	1.4
95.04956	1.1
97.02885	1.1
107.04944	1.0
108.05699	0.3
109.06516	0.5
121.02833	0.4
123.04412	1.2
127.03923	0.5
135.04396	0.3
135.42592	0.2
136.05183	0.7
137.02324	1.6
137.05940	2.8
138.06755	2.0
145.04936	0.6
148.05177	12.6
151.03914	1.2
153.01837	1.6
163.03926	0.5
165.01791	0.9
165.05406	0.4
166.06229	0.9
173.05936	0.3
181.08578	100.0
182.08925	1.0
183.02963	0.4
201.05438	1.0
229.05009	1.9
247.06163	0.3
257.04404	1.2
284.40167	0.3
285.04068	0.5
303.04968	30.2
315.04736	0.4
473.69910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05496	0.5
57.03428	0.9
61.02920	0.6
67.05489	1.2
68.99791	0.6
69.03430	2.6
70.06596	2.3
71.58208	0.5
72.41741	0.4
73.02927	0.7
79.05502	0.6
81.03423	1.9
81.07041	1.2
84.08095	0.7
85.02904	6.9
86.09705	1.4
91.05491	2.1
93.03365	0.4
93.07072	0.5
95.04956	1.4
95.08661	0.4
97.02895	2.5
97.06501	0.5
99.04450	0.7
105.07004	0.4
107.04954	1.1
109.02861	1.3
109.06522	0.8
109.10115	0.7
110.05989	0.5
111.00788	1.1
120.08106	1.3
121.02863	1.1
121.06541	0.6
123.04426	1.2
124.07571	0.4
127.03902	1.5
129.10239	0.6
135.04347	0.7
136.05124	0.5
137.02348	3.1
137.05981	2.8
138.06787	2.2
138.09143	0.4
138.35449	0.4
145.04965	0.7
148.05193	12.7
149.02374	0.6
149.05972	1.3
151.03880	1.4
152.55095	0.5
153.01820	3.0
161.05940	0.9
163.03891	1.0
165.01804	1.2
166.06303	0.5
167.07065	0.7
173.06021	0.6
181.08594	100.0
182.08949	1.2
183.04462	0.5
187.03917	0.7
199.09741	0.6
201.05487	1.6
210.14240	0.4
229.04982	3.2
257.04361	2.0
271.06085	0.7
274.04681	0.9
279.26389	0.4
285.04016	0.9
302.07709	1.0
303.04987	44.8
344.04651	0.5
464.28500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.1
55.05503	23.5
56.96558	5.8
57.03415	7.5
57.07066	5.0
63.82167	4.4
67.05505	93.8
69.03407	4.1
69.07063	25.6
71.04992	5.6
79.05495	35.1
81.03412	16.3
81.07052	36.2
83.04969	6.4
83.08615	10.8
84.78819	4.2
85.06557	5.8
88.64955	4.4
91.05476	35.7
93.07054	39.9
95.04970	10.6
95.08590	27.7
97.06519	13.4
97.10174	6.3
98.20755	11.8
105.07019	22.4
106.53836	3.5
107.04951	100.0
107.08572	22.5
109.10155	48.0
111.04453	4.7
111.08051	5.4
117.07013	6.5
119.08567	27.4
121.06508	6.2
121.10119	13.4
123.08108	5.0
128.06204	4.4
129.06999	4.3
131.08577	15.0
133.06491	7.5
133.10109	9.7
135.08041	37.2
135.11681	6.6
137.09628	15.8
139.11163	3.5
143.08549	7.7
145.10115	14.1
147.08038	10.0
147.11659	4.4
149.09610	33.5
151.07602	4.8
155.10695	5.8
155.62062	4.4
157.10086	7.1
161.09628	4.0
163.11121	7.4
165.09052	5.5
173.11743	21.1
175.11281	4.1
179.10582	4.2
183.10257	4.3
211.14516	4.2
221.37555	4.0
235.13252	4.2
245.19022	4.5
273.18433	22.8
275.19791	4.0
291.19556	90.4
309.20560	8.7
430.66870	4.7
445.29205	5.8
463.30429	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91905	3.7
55.01865	11.4
55.05514	19.9
56.96558	5.3
57.03429	4.6
67.05504	99.8
67.86279	3.7
69.07073	30.9
70.31361	11.1
70.31779	6.9
71.04970	5.0
79.05489	40.8
81.03423	10.2
81.07050	40.1
83.04985	12.4
83.08631	11.9
91.05491	39.0
93.07040	37.5
95.04971	15.8
95.08606	29.1
97.06522	8.5
97.10179	4.8
98.20668	4.8
105.07028	26.6
107.04956	100.0
107.08608	21.2
109.06535	7.8
109.10152	45.0
117.07030	12.0
119.08575	30.0
121.10157	9.8
125.09592	4.9
128.06166	4.7
129.07080	5.5
131.08583	16.7
133.06499	9.5
133.10129	10.0
135.08054	33.1
135.11685	5.1
135.20740	3.7
137.09650	11.9
143.08600	6.4
145.10114	9.5
147.08101	7.4
149.09624	26.9
157.10144	9.5
159.11740	5.8
161.09637	8.0
163.11067	4.8
171.11761	6.6
173.11728	15.9
189.11266	5.2
197.13347	4.8
208.45560	4.5
227.17868	5.3
235.13509	5.6
273.18427	30.1
291.19540	77.4
309.20605	4.8
312.04437	4.1
422.45770	4.2
463.30325	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01862	12.1
55.05515	32.6
57.03436	5.4
57.07076	2.7
58.11425	3.1
59.04999	2.7
61.02905	4.1
65.03922	3.8
67.05506	100.0
69.03426	4.0
69.07070	27.6
69.32569	14.5
69.32994	16.3
71.04974	5.0
79.05070	4.5
79.05494	67.9
81.03405	15.8
81.07055	68.2
83.04974	13.3
83.08620	16.2
85.02904	3.9
85.06521	5.0
91.05480	51.2
92.57090	3.5
93.07040	61.7
95.04976	21.2
95.08604	41.8
97.02856	3.7
97.06535	13.5
97.10158	5.2
105.07034	38.8
107.04955	88.2
107.08593	29.4
109.10146	39.5
111.04453	3.6
111.08067	4.9
117.07022	17.3
119.08585	33.9
121.06490	7.1
121.10135	19.0
123.08040	4.0
125.09616	4.6
128.06158	3.4
129.06996	9.2
130.07802	2.9
131.08559	23.5
133.06499	8.6
133.10114	16.8
135.08046	32.3
135.11691	10.2
137.09563	14.6
141.07089	3.0
143.08545	8.6
145.10118	21.2
147.07986	6.7
147.11673	8.5
149.09642	30.6
149.13231	15.9
155.08499	4.6
157.10136	10.8
159.11710	12.9
161.09666	6.6
163.11246	8.0
165.09123	4.7
169.10059	3.8
171.11674	6.9
173.11716	21.5
173.13167	6.2
175.11160	8.4
177.12799	3.7
185.13272	3.6
191.30630	2.7
195.13666	4.3
203.10773	2.9
213.12674	3.5
218.11145	2.9
227.12674	6.2
233.15448	2.9
235.13252	3.8
243.05948	2.8
255.17497	3.2
261.09940	3.1
261.18509	3.4
273.18500	25.5
291.19534	74.1
309.20807	5.1
343.26404	6.0
353.24893	12.1
371.25845	13.2
389.26791	8.5
445.29517	12.4
463.30609	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01869	8.7
55.05514	27.8
57.03427	8.7
62.38418	4.0
65.03926	5.1
67.05502	100.0
69.07069	31.5
70.27187	12.4
70.27557	7.2
71.04972	3.5
75.19157	3.1
79.05489	72.6
81.03417	5.8
81.07052	77.2
83.04968	9.9
83.08607	16.6
85.06571	3.6
91.05476	78.4
93.07041	61.4
95.04972	19.1
95.08614	43.7
97.06533	12.0
97.07153	3.5
97.10167	8.4
98.20900	4.2
105.07021	70.9
107.04950	46.2
107.08585	32.0
109.06510	8.1
109.10133	32.6
110.06814	3.5
111.08114	5.0
115.05424	4.2
117.07010	32.0
119.08580	49.9
121.06506	8.0
121.10131	17.1
123.08041	9.4
123.11729	5.3
125.09649	5.1
128.06213	6.0
129.07010	24.8
131.08554	58.0
133.06534	5.2
133.10132	25.0
135.08047	25.2
135.11662	9.2
137.09605	11.3
141.06981	6.0
143.08533	24.0
145.10109	27.7
147.08072	10.6
147.11670	9.4
149.09602	21.7
149.13272	7.2
155.08568	8.8
157.10123	13.5
159.11717	17.2
161.09662	5.1
167.08572	4.7
169.10158	6.1
171.11658	10.5
173.11690	8.5
173.13133	7.1
175.11142	6.0
181.10123	7.6
183.11697	10.9
185.13269	4.8
187.14880	5.3
195.11685	7.5
195.13570	4.5
197.13313	7.4
211.14871	6.4
223.14845	3.6
227.14331	5.4
247.17017	4.0
255.17389	5.5
257.83578	3.6
261.18521	3.5
273.18616	17.3
291.19568	34.4
301.99991	3.4
325.25244	7.7
335.24097	7.3
343.26279	12.1
353.24762	31.5
371.25671	34.6
389.26691	34.7
427.28690	4.7
435.61853	3.8
444.49423	3.3
445.29440	36.7
463.30627	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38146	1.5
53.03959	1.7
55.01875	3.0
55.05507	7.3
56.96563	2.5
57.03429	2.1
63.64328	1.6
67.05513	14.8
69.03427	10.4
69.07077	10.6
70.06544	1.8
71.04993	2.7
71.58547	2.2
79.05490	10.5
81.03414	5.0
81.07051	22.8
83.04962	2.6
83.08621	4.4
85.02902	14.8
85.06532	2.4
91.05479	10.9
93.07044	10.3
95.04974	5.9
95.08607	15.6
97.02882	4.4
97.06512	2.6
97.10184	2.3
99.04456	2.2
99.08105	3.4
103.05483	5.2
105.07025	20.4
107.04964	4.2
107.08590	9.5
109.02895	5.1
109.06519	7.3
109.10161	21.5
111.08073	2.5
117.07053	3.3
119.08567	9.8
121.06506	2.5
121.10133	9.1
123.04411	2.5
123.08092	2.3
123.11694	6.2
125.05978	1.8
125.09628	2.4
127.03939	3.4
127.11166	1.8
129.07069	2.0
131.04910	2.6
131.08545	6.9
133.06493	5.0
133.10156	5.2
135.04404	2.1
135.08052	4.5
135.11674	5.5
137.05966	28.6
137.09662	1.7
139.11180	2.3
143.08536	3.1
145.10117	4.9
147.08064	3.0
147.11694	4.2
149.09668	2.8
149.13268	2.1
151.07547	3.2
157.10216	2.9
159.11716	3.2
161.09584	3.0
163.03883	2.4
163.07544	100.0
163.11209	2.7
165.09113	1.8
173.11711	2.3
175.11215	2.7
177.09102	14.8
181.06766	3.5
181.08601	67.0
181.10210	3.5
185.09717	2.0
187.07521	3.8
189.09169	8.8
191.07071	2.1
191.10658	7.1
201.09152	2.1
203.10793	1.9
205.12082	1.7
212.52802	2.1
278.27090	1.7
283.13278	34.1
289.17932	2.8
399.29153	2.5
444.82349	1.8
445.18701	4.7
445.29443	2.9
463.16776	2.9
463.26761	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1598
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
53.03934	1.1
55.01867	0.6
55.05487	1.1
55.13358	0.3
57.03425	0.6
61.02905	0.9
64.19466	0.4
65.03972	0.4
67.05492	1.1
69.03429	5.6
69.07045	0.8
70.06589	0.7
71.05004	0.6
71.17132	0.7
72.72846	0.4
73.02914	0.4
74.91534	0.4
79.05489	2.7
81.03410	2.4
81.07031	1.3
85.02904	8.2
89.03924	0.6
91.03919	0.5
91.05475	1.4
93.07037	0.9
93.99694	0.4
95.01259	0.5
95.04958	1.7
95.08586	1.2
96.20607	0.3
97.02897	2.6
99.04443	0.9
105.07021	1.2
107.04938	1.8
107.08553	0.5
109.02865	1.1
109.06599	0.5
109.10139	1.1
119.04912	2.3
119.08602	0.7
121.02828	0.4
121.10117	0.8
127.03899	2.1
135.04459	0.7
145.02841	1.3
145.04964	1.0
145.06451	0.5
145.10072	0.5
147.04410	7.1
147.11589	0.4
151.07581	0.5
163.03900	100.0
164.04195	1.5
181.04956	31.8
182.05254	0.5
215.10727	1.1
237.24158	0.6
264.26724	0.7
265.27267	0.5
268.07312	1.0
273.04135	0.4
282.24774	0.4
282.27954	1.0
283.09650	29.8
283.24835	0.7
284.10110	0.4
300.25458	0.9
300.28973	1.2
301.10690	42.3
301.25681	0.8
301.29376	0.9
302.11185	0.6
422.34326	0.4
455.02829	0.4
462.34009	0.7
463.34949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3424
Annotation	D-Glucosylsphingosine
Peak:m/z	Relative Intensity
53.03936	1.0
55.05511	5.5
55.59933	0.6
56.05026	2.1
57.03445	3.3
58.06589	1.7
61.02916	2.7
63.36688	0.6
67.05502	7.8
69.03430	9.5
69.06782	0.7
69.07068	8.3
70.06594	4.8
70.69724	2.2
71.01351	0.9
72.08144	1.7
72.12516	0.7
73.02909	2.5
74.06074	3.7
79.05473	3.0
81.03406	2.6
81.07052	8.7
83.08609	2.6
84.08131	4.0
85.02902	16.8
87.04473	1.9
88.73704	0.7
91.03934	0.7
93.07037	2.2
95.08591	8.3
96.08117	2.2
97.02870	4.7
97.10155	1.0
98.09688	5.3
99.04406	0.9
100.11213	0.8
101.02379	1.2
103.03930	1.2
107.08561	1.2
109.02872	2.2
109.10192	3.3
110.09690	0.9
114.09162	2.9
120.15552	0.8
121.10164	1.0
123.11761	1.0
124.11266	0.7
127.03919	4.2
135.11803	0.8
138.12793	1.1
145.04939	1.0
149.06015	1.7
152.14328	0.8
153.92682	0.6
163.03888	5.0
167.07050	0.7
181.04906	1.2
236.23720	1.4
264.26852	41.0
265.27280	1.3
282.27893	33.3
283.09729	1.0
283.28308	1.5
300.28949	59.3
301.10721	2.4
301.29318	1.4
342.29938	2.0
426.31696	0.9
444.33212	2.4
462.34241	100.0
463.34354	4.0
467.69424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	13.9
55.05505	49.3
58.88110	9.7
67.05507	100.0
67.68759	10.4
69.07061	46.4
70.10735	42.2
79.05490	77.4
81.03408	25.4
81.07063	81.9
83.04996	11.4
88.75157	9.7
91.05467	94.1
93.07030	92.2
95.04967	21.3
95.08607	66.0
97.06524	22.1
97.10146	13.2
105.07031	77.7
107.04959	28.9
107.08594	40.1
109.10136	18.9
117.07008	58.6
119.04950	9.8
119.08618	50.1
121.06488	12.2
121.10139	38.3
123.07924	11.3
125.09619	13.7
129.06993	56.4
131.08560	55.6
133.06409	12.2
133.10083	21.4
135.08035	14.6
135.11694	18.0
141.07018	24.3
143.08554	44.7
145.06427	21.1
145.10158	29.8
147.11665	18.8
149.09618	22.6
151.11142	11.3
155.08537	38.9
157.06392	12.3
157.10139	40.8
159.08057	16.7
159.11826	13.8
161.09607	11.6
163.11368	12.2
167.08572	21.0
169.10126	20.8
171.08112	11.2
171.11772	20.7
181.10136	12.3
183.11649	16.1
185.13332	13.4
197.13235	12.6
215.14357	17.6
221.13326	16.3
333.22113	14.6
343.66443	11.1
351.23090	24.7
360.56839	11.3
369.24127	32.8
387.25082	24.3
425.26968	11.2
443.27740	53.8
461.29031	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24709	6.9
55.05506	28.9
57.07078	100.0
65.03932	9.2
66.57445	8.7
67.05508	44.6
68.01384	11.8
69.07072	58.7
71.08630	81.4
71.50452	13.2
79.05492	16.6
81.07063	99.9
83.08631	51.2
85.10195	36.7
88.50922	7.8
91.05457	9.6
93.07029	13.9
95.08613	77.4
97.10159	25.9
98.98466	12.7
109.10155	52.6
110.05950	9.3
123.11719	29.1
135.11700	7.7
136.03897	12.0
137.13269	13.8
151.14867	11.8
160.07516	10.9
175.07550	37.1
176.07021	18.2
176.08415	10.9
177.09059	15.8
180.06606	14.6
182.04504	20.5
188.07039	20.2
189.09155	24.5
190.09975	14.1
191.10722	17.8
202.08742	8.4
204.11464	19.3
206.08141	16.4
207.10492	8.1
207.33932	7.7
214.08356	11.9
216.10077	19.1
217.12146	9.1
220.06050	8.9
222.07654	35.9
273.46625	7.4
281.28333	17.1
300.50470	7.3
308.32721	8.3
355.77271	8.0
416.32693	27.2
426.29913	21.0
444.31192	16.4
462.32205	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73233	2.7
52.21665	2.4
53.03933	11.5
55.01875	15.5
55.05267	2.9
55.05512	33.1
57.03202	2.3
57.03434	21.9
57.07072	4.8
60.97036	2.6
65.03954	4.9
67.05176	5.3
67.05505	72.3
69.03423	20.3
69.07068	25.9
69.65432	21.6
71.04980	12.6
79.05489	51.4
81.03418	38.6
81.07050	67.9
83.04964	10.8
83.08612	14.2
85.02875	6.0
85.06524	4.0
91.05480	55.0
93.06476	4.5
93.07042	64.5
95.01318	17.0
95.04963	29.9
95.08606	55.0
97.02898	14.3
97.06517	9.4
97.10207	6.2
99.04456	7.1
99.08031	2.8
103.03956	6.7
103.05449	7.1
105.07021	61.3
107.04944	14.0
107.08591	33.0
107.25417	3.0
109.02879	8.4
109.06498	12.0
109.09406	4.5
109.10135	26.6
111.04438	9.5
111.08099	4.6
115.05434	4.4
117.07008	37.1
119.07796	4.0
119.08583	37.4
121.06481	11.0
121.10114	19.8
123.04430	8.7
123.08041	9.4
123.11671	5.4
128.06223	10.6
129.05467	3.9
129.07001	26.7
131.04880	5.1
131.08569	40.8
133.06477	13.8
133.10127	26.7
135.04459	4.3
135.08020	10.4
135.11699	15.1
137.06020	3.7
137.09615	5.6
141.06989	13.6
142.07773	7.0
143.08559	31.0
145.06496	15.3
145.10136	30.8
147.08015	16.0
147.11679	13.4
149.05978	7.5
149.09529	3.8
149.13263	9.8
151.07529	5.7
153.05528	4.2
153.06862	3.5
154.07753	4.9
155.08551	20.0
156.09259	4.9
157.06520	7.0
157.10124	18.5
158.07289	6.4
159.08047	12.6
159.11676	25.0
161.05989	5.2
161.09583	7.5
161.13246	6.8
163.07565	17.1
163.11134	6.5
165.09099	5.3
167.08556	7.2
169.10135	17.2
171.08009	8.6
171.11751	14.5
173.09598	11.5
173.13249	14.4
175.07585	7.4
175.11206	5.5
176.17598	3.5
177.12701	3.4
179.08598	3.5
181.10104	9.1
183.06557	4.8
183.08049	5.5
183.11682	12.8
183.86598	2.9
185.09616	8.3
185.13289	12.4
187.07545	4.8
187.11192	7.4
187.14754	5.7
189.09103	5.2
189.12787	3.1
193.10164	4.2
195.11697	9.0
197.09532	5.8
197.13258	10.1
199.11160	8.6
199.14792	8.8
201.12762	8.7
201.16344	4.7
207.13652	3.6
209.13185	4.3
211.11125	8.9
211.14848	5.3
213.12717	11.1
213.16467	4.2
215.10736	3.1
215.14427	5.9
223.14865	4.6
225.12732	5.2
227.14386	4.9
229.15898	3.5
231.13887	3.4
239.14241	3.2
243.13873	3.9
251.14738	3.6
259.20624	9.0
299.23547	3.8
317.24731	4.9
323.23642	6.3
325.21335	4.0
327.23230	9.3
335.25827	15.7
341.24728	17.3
351.23010	20.6
369.24243	58.9
387.25262	17.6
425.26804	6.5
431.27716	4.6
443.27936	62.5
461.28943	100.0
462.29166	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.8
53.03949	10.7
55.01875	14.2
55.05516	32.9
57.03434	21.3
57.07066	5.9
59.04995	2.3
61.02954	1.8
65.03940	5.2
67.05502	70.3
69.03430	18.1
69.07069	25.4
69.58753	13.0
71.01357	4.1
71.04977	7.8
79.05489	54.7
81.03419	29.5
81.07057	71.5
83.04977	13.8
83.08612	12.5
85.02883	5.5
85.06532	4.2
85.59582	2.0
86.67720	2.4
87.04461	4.6
89.79948	2.0
91.05480	57.6
93.06480	3.0
93.07044	59.3
95.01331	16.4
95.04964	26.4
95.08604	53.9
95.09074	1.2
97.02906	22.5
97.06523	7.4
97.10164	5.2
99.04459	5.1
103.03953	5.1
103.05457	3.9
105.04523	2.0
105.07033	59.0
107.04948	11.9
107.08588	34.9
109.02869	10.4
109.06515	8.1
109.10162	21.8
111.04417	7.7
111.08072	5.0
115.05444	7.4
116.06257	3.0
117.07023	33.8
119.04914	4.2
119.08570	39.9
121.06505	8.8
121.10152	25.1
123.04424	9.6
123.08036	4.8
123.11686	5.1
125.09598	3.9
127.03893	3.9
128.06230	11.2
129.05481	2.7
129.06978	25.9
130.07791	4.5
131.04950	5.1
131.08560	44.3
133.06502	13.6
133.10118	25.2
135.04416	2.2
135.08040	6.7
135.11685	15.2
137.05998	3.6
137.09630	5.4
139.11139	2.1
141.06990	10.7
142.07739	7.4
143.08554	29.3
144.05688	3.3
144.09293	3.4
145.06494	18.8
145.10129	32.2
147.04440	3.2
147.08029	14.8
147.11673	17.6
149.05988	4.6
149.09596	4.9
149.13264	8.2
151.07553	2.6
151.72520	2.4
153.05568	2.4
153.06934	4.1
154.07779	4.0
155.08525	20.7
156.09317	4.5
157.06519	7.1
157.10129	24.0
158.07269	2.4
159.08107	11.9
159.11697	23.0
161.06017	7.4
161.09628	9.7
161.13258	12.6
163.07516	3.7
163.11217	3.9
163.14842	3.3
165.07063	2.8
165.09146	3.9
167.08537	6.3
167.10667	2.2
168.09245	4.1
169.04872	2.3
169.06447	2.5
169.10149	17.9
171.08022	13.6
171.11673	19.4
173.05959	2.7
173.09619	7.9
173.13196	15.9
175.07571	9.8
175.11177	7.5
175.14748	4.0
177.09079	2.9
177.12755	4.9
179.08484	3.5
180.09315	2.4
181.10153	10.0
183.06528	4.4
183.07956	3.7
183.11716	13.0
185.09599	8.7
185.13239	13.2
187.07578	3.6
187.11200	8.6
187.14844	7.5
189.09102	4.3
189.12747	5.1
191.10747	3.7
193.10181	3.8
195.08255	1.9
195.11723	4.3
197.09639	7.1
197.13185	11.7
199.11176	8.8
199.14816	8.0
201.09152	2.3
201.12744	7.2
201.16417	2.8
203.10699	5.1
203.14398	2.8
205.12283	3.4
207.11697	3.6
209.13269	6.5
211.11174	6.5
211.14842	6.1
212.11882	2.2
213.12761	8.7
213.16254	3.0
215.14357	5.3
217.12386	3.1
221.13202	3.4
223.14809	4.1
225.12836	3.4
225.16380	2.1
227.14304	4.7
229.12242	3.2
236.94518	2.0
237.16496	3.1
239.14352	5.1
241.19533	4.2
245.15424	2.5
259.20602	8.3
271.20486	3.3
273.18466	2.2
273.22232	2.1
277.21716	2.4
283.20569	3.7
285.22083	3.6
297.22122	2.6
299.23630	2.9
301.21600	3.4
309.18799	2.9
309.22214	4.2
315.23163	4.4
323.23706	8.7
327.23166	12.0
331.22427	2.6
333.21957	2.9
335.25781	13.7
341.24698	14.4
345.24268	4.4
351.23016	20.2
359.25900	3.0
363.25388	2.4
369.24243	58.8
370.24319	2.3
387.25296	11.2
401.27130	2.4
425.26898	4.1
443.27881	49.2
444.28296	3.6
461.28964	100.0
462.29065	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85253	2.2
53.03945	3.1
53.25860	2.4
55.01869	6.0
55.05500	14.4
57.03439	5.3
57.07068	4.3
65.03913	2.7
67.05500	32.4
67.36935	2.3
69.03423	9.2
69.07072	17.4
71.04993	2.8
71.13210	5.9
79.05502	23.4
81.03416	10.0
81.07056	38.5
83.04978	11.0
83.08616	6.3
85.02895	15.7
85.06515	13.0
91.05466	21.9
93.07033	24.7
95.04973	10.7
95.08604	36.4
97.02902	6.2
97.06535	9.8
97.10168	4.7
105.07027	28.1
107.04945	4.9
107.08578	19.8
109.02869	5.3
109.06496	5.9
109.10178	16.3
111.04430	4.0
111.08086	5.5
111.11687	2.7
113.06007	4.3
117.07060	7.0
119.08559	15.0
121.06482	3.6
121.10143	14.1
123.08063	16.7
123.11697	7.4
125.09645	4.3
127.03911	11.0
129.06976	4.4
131.08585	6.9
133.10141	12.3
135.08055	7.7
135.11699	8.1
136.99728	3.3
137.05995	4.2
139.11195	2.9
141.09131	2.9
143.08597	6.2
144.09410	2.6
145.10120	8.2
147.11708	12.0
149.05969	3.1
149.13297	4.2
151.07536	100.0
155.08435	3.1
159.11696	7.0
161.09647	6.0
161.13219	4.5
163.03954	3.2
163.07529	21.7
165.09129	7.7
167.07069	3.4
171.11737	5.1
175.07503	3.0
177.09097	7.5
191.10619	21.2
199.14807	2.8
205.12242	6.3
207.13832	11.1
223.20541	6.1
245.22758	3.4
247.30353	3.0
263.23474	3.1
281.17331	22.9
281.24826	3.8
299.09030	4.3
335.72385	3.0
369.23804	4.8
415.32175	4.5
425.30237	4.3
461.29156	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27598	3.6
53.03939	9.3
55.01870	16.1
55.05507	32.8
57.03439	18.5
57.07064	6.4
60.31437	3.4
61.02919	10.8
67.05499	17.5
68.99796	4.6
69.03428	69.0
69.07067	63.6
71.04990	14.3
71.13693	6.2
73.02911	11.8
79.05502	10.5
81.03417	54.6
81.07056	36.8
83.04987	15.4
83.08624	13.8
85.02900	100.0
85.06543	23.1
87.00822	47.4
91.05494	5.1
93.07037	17.9
93.84583	3.8
95.08604	54.9
97.02889	49.6
97.06519	7.4
97.10184	19.3
99.04464	23.3
99.08090	38.9
105.01881	26.6
105.07034	6.2
107.08597	28.9
109.02877	60.7
109.10168	18.9
111.08072	5.6
111.11736	12.8
113.09637	11.2
117.01897	4.3
120.40485	4.2
121.10149	51.6
123.11716	11.6
125.09652	10.5
127.03912	82.0
129.01903	5.4
135.11699	25.1
137.13248	14.9
139.11159	12.9
145.04976	21.9
147.02899	5.4
149.13289	7.2
151.14880	8.1
153.12679	19.3
158.21906	3.6
159.02898	25.3
163.07605	11.0
177.16376	81.1
195.17447	72.8
195.19119	5.9
213.03825	5.1
213.18497	46.5
231.05034	14.8
262.25290	4.9
263.25537	9.1
281.26846	19.4
298.27371	15.2
299.27753	17.5
412.34088	4.3
461.33054	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94082	0.9
53.03929	1.7
55.01862	1.5
55.05495	4.4
57.03419	1.2
65.03941	1.0
67.05498	7.4
69.03415	3.6
69.07047	4.7
70.26228	4.4
71.04963	1.3
79.05476	6.9
81.03401	4.4
81.07062	11.1
82.23673	1.0
83.04971	3.2
83.08604	1.4
83.85791	1.1
85.02891	4.5
85.06535	1.4
91.05482	8.4
93.07050	6.7
95.04964	5.4
95.08595	5.9
97.06547	2.2
99.04462	1.4
103.05450	3.5
105.07030	15.9
107.04928	3.3
107.08581	4.5
108.08049	1.1
109.02888	2.9
109.06501	2.2
109.10155	4.7
111.04437	2.1
114.70363	1.2
115.05430	2.6
117.07009	1.4
119.04895	1.9
119.08553	4.4
121.02866	1.2
121.06479	2.1
121.10114	3.0
121.90594	1.1
123.04410	2.3
123.08071	2.6
123.11730	1.9
127.03889	2.8
129.07014	1.6
131.04956	1.4
131.08589	2.4
133.06529	3.5
133.10124	2.2
135.04396	1.5
135.08080	2.8
135.11667	1.8
137.05988	2.0
139.11140	1.4
143.08488	1.5
145.06497	1.5
145.10130	1.6
147.11668	3.7
149.05981	1.6
149.09541	1.5
149.13239	1.8
151.07549	5.3
157.10144	1.5
159.08018	1.4
161.05978	1.5
161.09599	1.7
161.13252	1.4
163.07538	100.0
164.07901	2.4
165.06793	1.5
165.09106	4.7
167.07069	1.9
173.05978	1.4
173.09573	1.6
175.07541	1.4
177.09131	3.0
181.05096	1.4
181.08594	7.3
183.03159	1.1
185.05853	1.1
189.09071	6.1
199.14957	1.2
205.08498	1.4
223.09767	1.2
231.08670	1.1
248.58676	1.0
257.07788	1.3
281.08047	1.8
281.17447	2.1
283.11887	6.1
299.09271	2.4
299.12750	4.0
311.12601	1.4
321.37140	1.2
323.12753	2.9
328.18924	1.1
341.13821	4.5
369.24637	1.0
443.28110	1.3
461.28455	3.4
475.14221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
54.04782	1.4
54.12737	1.2
55.01872	13.6
55.05509	29.5
57.03439	12.2
57.07056	5.7
59.04982	3.2
61.02922	9.3
67.05514	12.9
68.99765	5.1
69.03429	60.9
69.07069	55.5
70.03754	1.5
71.04993	11.8
71.08619	1.3
73.02911	11.2
79.05487	7.6
81.03415	55.0
81.07057	29.6
83.01370	1.7
83.04981	13.6
83.08611	8.5
85.02905	100.0
85.06535	19.5
87.00830	36.3
87.04454	2.9
91.03975	1.8
91.05480	5.3
93.07033	13.1
94.06569	1.7
95.04949	2.3
95.08605	39.3
97.02293	2.4
97.02892	33.7
97.06521	6.8
97.10149	15.1
99.04449	22.6
99.08086	36.8
101.02389	1.6
103.03933	2.4
105.01866	30.3
105.07015	4.8
107.04979	1.6
107.08591	25.1
109.02876	51.0
109.06530	1.6
109.10160	15.6
111.08106	3.2
111.11736	10.2
113.09641	16.3
115.03918	1.9
117.01827	5.8
119.08492	2.0
121.06505	1.5
121.10146	31.4
123.08099	1.8
123.11681	9.8
125.09641	9.4
127.03920	86.1
127.11272	2.0
129.01845	6.3
129.12660	1.7
135.11691	17.6
137.13239	20.6
139.11172	6.8
145.04968	30.1
147.02892	4.6
149.13200	3.7
151.14801	6.6
153.12733	21.8
155.14365	1.5
159.02885	28.6
159.11708	1.6
163.07478	6.4
167.07047	2.8
175.14856	1.7
177.09164	1.8
177.16386	66.0
189.03999	1.8
195.17450	69.3
196.17751	2.8
213.03894	3.5
213.18484	42.4
217.08376	1.7
231.05017	18.7
237.18408	1.7
262.25388	2.2
263.25665	7.2
280.26450	4.4
281.26666	17.3
296.39313	1.4
298.27429	8.2
299.27753	21.1
461.23703	8.5
461.33011	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.4
55.01865	18.1
55.05509	24.2
55.74026	1.5
57.03428	11.5
57.07072	4.2
59.04996	2.1
61.02919	8.8
64.14451	1.8
67.05507	16.1
68.99781	4.4
69.03425	60.1
69.07064	42.9
70.06578	3.9
70.63750	3.2
70.64085	2.6
71.01307	2.1
71.04988	13.9
71.08629	2.2
73.02905	15.0
79.05485	12.6
81.03413	65.6
81.07051	37.4
83.04982	12.6
83.08620	7.6
85.02901	100.0
85.06534	15.6
86.03220	1.8
87.00826	32.6
91.03956	5.8
91.05481	6.5
93.07035	17.4
94.06596	2.4
95.04969	5.1
95.08603	47.3
96.08122	2.9
97.02892	30.8
97.06515	7.0
97.10149	13.5
98.09669	2.4
99.04453	23.9
99.08092	31.9
100.11226	3.8
105.01862	30.2
105.07039	6.7
107.04974	4.4
107.08588	30.5
108.08098	2.3
108.08907	1.7
109.02872	51.6
109.06489	2.9
109.10139	20.6
110.09721	1.9
110.10485	3.0
111.08104	5.2
111.11711	11.2
113.09632	10.8
115.03959	2.6
117.01850	4.8
119.08563	7.0
120.53233	1.9
121.09285	3.5
121.10130	27.1
123.08030	2.7
123.11696	11.1
125.09636	8.5
127.02961	4.1
127.03907	86.3
127.11265	2.2
129.01865	6.5
133.10175	5.3
135.11678	20.3
136.12016	2.7
137.06003	4.8
137.09599	2.5
137.13255	16.6
139.11177	8.5
145.04936	29.7
145.09985	2.2
147.02879	5.4
147.04379	1.8
149.13245	5.9
151.07565	4.2
151.11165	2.4
151.14781	3.4
153.11609	2.8
153.12741	16.9
159.02887	27.9
163.07506	8.8
165.09094	3.3
175.14888	3.5
177.09178	2.0
177.16376	63.7
184.07864	1.6
193.15880	2.9
195.17444	62.7
210.14946	2.1
213.03885	2.3
213.18497	34.6
231.04945	17.0
262.25122	2.9
263.25610	9.0
280.26407	6.4
281.26715	16.9
281.49579	1.9
298.27393	7.2
299.12689	2.5
299.27765	19.1
336.22812	2.6
443.32217	2.2
458.88153	2.0
461.23898	3.0
461.25763	3.2
461.33023	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01864	1.8
55.05498	2.9
56.05041	1.1
57.03432	1.5
65.03922	1.5
66.33929	0.9
67.05497	5.1
69.03430	6.5
69.07066	2.4
69.47909	9.7
70.06582	1.2
71.04981	1.9
71.58447	1.1
72.04510	2.1
73.02892	1.1
79.05484	4.8
81.03402	3.6
81.07050	8.1
83.08608	1.6
85.02890	7.8
91.05476	6.3
93.07035	6.3
95.04952	3.2
95.08617	5.5
96.08112	1.6
97.02898	3.4
98.09679	1.2
98.12951	0.9
99.04430	1.7
99.08110	1.4
103.05463	4.9
103.68450	0.9
105.01869	1.7
105.07043	6.5
107.04951	8.4
107.08575	4.3
109.02874	2.8
109.06495	2.1
109.10161	2.4
115.05429	1.3
115.32661	0.9
117.06985	1.5
119.04926	4.1
119.08563	3.5
121.02879	1.5
121.06527	6.5
121.10150	2.0
123.08064	1.5
125.05972	1.1
125.09598	1.7
126.24481	1.1
127.03892	3.1
129.07039	1.5
131.04909	9.2
133.06465	2.9
133.10085	2.4
135.04330	1.1
135.07974	1.1
135.11699	1.3
137.05951	7.0
137.09650	1.5
144.05650	1.0
145.06477	1.4
147.04370	1.4
147.08060	2.0
147.11635	1.2
147.73776	1.0
149.05974	100.0
150.06250	1.2
151.07530	5.6
160.05194	1.1
161.05930	2.3
163.07544	29.8
165.09146	2.4
167.07036	21.2
173.05991	2.3
173.09717	1.1
175.07542	20.7
175.57230	1.1
177.09122	1.5
179.07069	1.3
181.08572	2.4
187.07556	4.1
191.07072	3.6
191.10690	1.3
193.08557	5.5
199.07614	1.3
209.08005	1.4
215.07011	1.4
217.08543	1.6
233.08061	3.2
234.08629	1.1
241.74411	1.1
269.10318	1.6
280.26382	4.2
281.11679	3.6
281.26694	11.0
293.10245	1.7
298.27371	7.8
299.09332	3.9
299.12747	54.1
299.27756	11.0
300.13181	1.5
311.12628	1.0
319.11609	1.3
323.12723	10.9
331.74463	1.4
341.13672	1.6
365.13940	5.8
407.15042	1.2
425.15771	1.6
443.16565	1.3
460.32770	1.8
461.32889	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83289	0.4
53.03936	0.8
53.43859	0.4
55.01856	0.6
55.05507	0.5
59.32719	0.4
67.05502	0.6
69.03419	0.8
70.17136	1.6
79.05496	3.5
81.03409	0.9
81.07057	1.7
86.33428	0.4
91.05480	2.5
93.07019	0.9
95.04969	2.0
95.08604	0.6
97.02890	0.5
98.21521	0.4
98.36066	0.4
103.05457	4.1
105.04522	0.5
105.07025	11.5
107.04929	0.7
107.08587	1.2
109.02828	0.6
109.10135	1.0
119.08526	0.6
121.06527	0.5
121.10109	0.6
123.04401	1.0
123.08102	0.5
127.03920	0.5
129.01743	0.5
131.04915	1.2
133.06462	1.5
135.04407	1.6
135.08049	1.1
137.05963	0.6
148.05229	0.6
149.05980	3.1
151.06450	0.5
151.07507	2.5
163.07535	100.0
164.07893	1.6
165.09096	1.3
173.16594	0.4
177.09160	0.4
181.05042	0.6
181.08551	1.5
189.09224	0.6
190.09882	0.5
191.06931	0.4
203.06950	0.5
213.12872	0.4
274.32150	0.5
281.08301	0.4
285.11188	1.2
299.09265	0.8
299.12735	8.2
311.56982	0.4
325.12567	0.8
461.18335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01865	3.0
55.05503	2.4
57.03419	4.1
60.04518	1.0
61.02920	2.5
64.83661	1.0
66.56847	0.9
67.05485	3.1
68.99779	4.2
69.03073	1.7
69.03426	20.2
69.07054	3.2
69.50973	2.0
69.51384	7.0
70.06584	3.2
71.01347	1.2
71.04995	12.0
72.05337	2.1
72.08138	1.2
72.59959	1.0
73.02912	2.6
79.05481	3.0
81.03416	19.7
81.03870	2.1
81.07050	4.2
83.04976	2.8
84.04504	1.7
85.02905	30.2
85.06533	3.0
86.03183	1.7
86.09706	10.9
86.22472	0.9
87.00806	4.9
89.06027	42.8
90.06352	11.9
91.03910	1.0
91.05485	5.3
92.05768	1.3
93.07061	2.9
95.04971	3.8
95.08595	2.8
97.02885	23.9
98.03220	3.9
99.04461	8.7
103.03933	1.3
105.01834	2.0
105.07005	2.0
107.04921	2.4
107.08557	2.6
109.02873	21.7
109.06531	1.1
109.10149	1.2
110.03178	1.5
111.04433	2.0
111.08105	1.1
115.03891	1.7
119.04924	3.2
119.08562	2.5
120.05259	1.2
121.02847	1.2
121.06509	1.6
121.10130	1.8
123.04428	2.5
124.07558	2.3
127.03912	34.9
128.04213	1.9
131.08531	1.0
133.10115	3.0
135.06544	9.4
135.11678	1.2
136.03902	1.4
136.06857	2.8
137.06027	1.8
141.76112	0.9
145.04965	8.5
146.05319	1.2
147.04416	15.0
148.04741	10.1
149.09561	1.5
151.03876	2.8
161.05956	1.0
163.03896	5.3
163.11162	1.1
165.05403	1.4
171.02948	2.4
171.04395	2.1
181.00060	1.0
187.06004	2.5
189.03960	3.0
189.05522	1.5
197.11707	1.5
203.14531	1.1
207.08138	1.2
207.10045	1.1
213.03911	4.1
213.05511	3.3
225.09088	3.6
231.05002	2.1
239.07016	4.8
244.09396	1.5
261.09753	2.9
262.10013	3.3
263.07013	3.0
263.16327	1.2
281.08063	77.8
282.08322	1.3
299.09116	100.0
300.09369	1.3
329.16049	1.2
339.06894	1.1
375.19315	2.1
417.20410	4.3
456.24869	1.0
461.14163	6.1
461.19705	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67389	0.5
53.03943	1.8
55.01865	1.3
55.05507	5.3
56.05023	1.1
57.03440	2.6
57.07066	0.9
58.06586	0.5
61.02924	2.9
63.96080	0.5
67.05500	4.5
69.03076	1.1
69.03426	11.1
69.07063	6.8
70.06591	4.8
70.72105	1.2
70.72462	1.0
71.04983	1.3
73.02925	3.7
79.05491	3.9
80.05026	0.6
81.03411	6.0
81.05779	0.7
81.07048	5.9
82.06570	2.1
83.04962	1.1
83.08604	1.7
84.08139	1.1
85.02905	16.5
85.06545	1.1
87.00809	1.7
87.04460	1.7
88.74550	0.5
91.05475	1.4
93.07041	4.6
94.06571	4.0
95.04955	1.0
95.08599	4.2
96.08124	6.3
97.02888	6.2
97.06544	1.3
97.10181	1.5
98.09655	1.0
99.04446	2.1
99.08083	2.2
101.02377	1.1
105.01858	1.8
105.07043	1.8
107.08609	2.8
108.08108	4.1
108.08767	0.5
109.02882	4.1
109.08902	1.2
109.10130	1.6
110.09679	2.9
113.09614	0.9
113.12983	0.5
119.08559	0.9
121.10126	2.9
122.09662	6.1
122.10466	0.9
123.10439	0.9
123.11762	1.0
124.11260	0.6
125.09681	0.7
127.03912	6.7
127.09959	0.8
129.01907	0.7
133.10103	0.7
135.11678	1.5
136.11203	1.4
137.09639	0.6
137.13216	0.7
140.10718	3.1
143.00179	0.6
145.04985	1.4
149.13266	0.6
151.84628	0.7
152.11565	0.6
153.12755	0.7
159.02888	1.4
163.07468	0.6
166.13104	1.4
167.03346	0.5
167.07059	0.8
171.88416	0.5
177.16359	4.1
195.17471	3.3
206.09116	0.6
209.15405	1.1
210.15709	1.9
211.15878	1.1
213.18405	1.2
222.22139	1.1
231.05043	0.9
260.23898	1.0
262.25293	22.5
280.26349	48.5
281.26718	0.9
298.27402	65.5
299.27765	1.8
315.86841	0.5
340.28552	1.7
460.32675	100.0
461.32843	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01862	0.5
55.05507	4.2
56.05017	0.6
57.03435	2.5
57.07052	0.6
58.06594	0.3
61.02921	2.5
67.05504	3.7
68.04996	1.0
69.03424	6.0
69.07064	4.1
69.17715	0.3
70.06584	4.5
70.13812	0.5
70.14226	1.4
71.04964	1.1
73.02911	2.2
79.05492	3.1
80.04986	0.6
81.03382	1.5
81.07047	2.1
82.06580	2.2
83.08592	1.0
84.08106	0.5
85.02903	11.2
87.04461	1.9
91.03934	0.6
91.05443	1.3
93.07043	2.5
94.06564	3.1
95.08603	2.4
96.08120	4.9
96.60458	0.4
97.02892	3.3
98.20856	0.4
99.04430	1.1
101.02358	0.7
103.03947	0.8
105.06992	1.0
107.07311	0.7
107.08537	1.3
108.08121	2.6
109.02847	1.6
109.06535	0.4
109.08868	1.3
109.10132	1.1
110.09692	3.4
119.08530	0.6
120.08072	0.5
120.18551	0.4
121.10126	0.7
122.09659	4.6
123.11691	0.4
127.03933	2.4
127.09943	0.7
133.10146	0.5
135.11650	0.4
136.11180	1.2
138.12744	0.3
140.10670	1.5
145.04907	0.5
146.52499	0.4
150.12756	0.7
222.22141	0.7
223.09471	0.4
234.22166	0.4
260.23706	1.2
262.25293	22.7
280.26340	44.2
281.08060	0.6
281.26563	0.5
298.27390	58.8
299.09201	1.5
299.27753	1.2
340.28522	2.0
460.32672	100.0
461.33105	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.6
55.01873	17.0
55.05272	8.8
55.05512	100.0
55.46585	7.6
67.05509	68.3
69.03429	10.1
69.07057	29.4
71.57753	13.0
79.05499	82.0
81.03411	9.3
81.07063	74.4
82.72276	8.5
83.04988	9.6
83.08616	36.4
91.05470	77.8
93.07057	43.9
95.04965	14.2
95.08607	31.1
97.06521	12.0
97.10185	77.8
98.42899	7.7
103.05481	38.9
104.74141	8.7
105.07052	51.4
107.04944	17.5
107.08602	37.8
109.10158	21.9
115.05450	25.1
117.07015	81.8
119.08575	31.5
121.06497	15.0
121.10091	12.7
123.07987	12.4
125.09628	49.2
129.06998	50.2
131.04886	9.4
131.08568	59.9
133.06454	15.4
133.10135	16.0
135.08011	20.0
141.07013	20.4
143.08582	20.8
145.06490	22.5
145.10118	26.6
147.08038	14.9
153.07021	9.5
153.09143	10.5
155.08575	21.6
157.06520	12.0
157.10091	11.1
159.08052	13.9
161.05994	10.4
169.10211	16.8
171.11693	11.2
173.13329	11.9
181.10097	11.0
187.14839	29.3
189.09293	7.9
189.11206	39.2
197.13287	27.1
206.26186	8.4
215.14316	100.0
227.12732	41.0
241.11954	9.8
265.12369	8.2
271.16824	11.0
305.26917	12.9
339.23260	11.0
349.21692	14.5
367.22864	45.5
385.23770	36.3
403.24963	13.7
441.26471	62.4
441.31970	8.0
456.85687	10.8
459.27350	83.5
472.56702	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.9
55.01874	12.7
55.05517	2.9
57.03450	9.5
60.04505	2.2
60.24354	1.9
61.02914	7.7
65.03922	2.7
67.05497	5.9
68.05018	1.9
68.99799	4.1
69.03430	41.1
69.07058	4.5
69.08145	2.0
69.37388	6.9
69.37807	10.9
70.06574	2.4
71.04987	7.2
71.07020	1.7
72.04514	4.0
73.02917	9.0
79.05474	5.2
81.03419	38.7
81.07043	5.4
84.04452	1.8
85.02906	98.4
87.00835	33.8
87.04441	2.2
91.03969	3.0
91.05481	3.4
93.07041	5.5
95.04964	1.9
95.08601	7.5
96.08163	2.6
97.02889	36.8
97.94791	2.0
99.04458	19.2
103.05457	7.4
105.01862	31.8
105.07021	6.4
107.04968	9.4
107.08611	3.8
108.04484	7.2
109.02882	33.2
109.10155	5.0
117.01849	5.3
117.07072	2.3
119.08583	2.6
121.06483	1.9
121.10235	2.0
126.05513	5.5
127.03916	62.9
129.01831	3.7
131.08595	2.0
135.08029	8.4
135.11734	2.6
139.03897	5.3
145.04965	27.0
147.02873	1.8
151.07532	6.0
154.06241	38.6
159.02888	28.1
163.07545	31.8
165.09074	2.4
166.09431	1.9
167.07048	5.1
175.14818	2.0
195.10165	100.0
213.03894	2.7
219.10223	1.8
230.06412	2.0
231.05028	9.8
248.07678	4.7
262.25269	2.9
280.26288	21.6
298.27417	23.1
299.12766	2.1
460.26941	3.0
460.32666	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01878	14.5
55.05513	69.2
57.03436	8.4
57.07067	2.3
65.03932	3.9
67.05508	57.9
69.03443	9.2
69.07070	17.8
71.04993	3.3
71.58301	2.8
72.66635	1.8
75.96935	1.7
76.36131	1.7
79.05499	54.1
81.03415	5.5
81.07063	44.9
83.04985	8.3
83.08617	30.8
83.52654	2.2
85.06577	2.3
91.05486	50.6
93.03393	2.4
93.07049	30.6
95.04940	10.0
95.08607	22.9
97.06516	2.3
97.10175	53.8
103.05474	21.6
105.03378	3.2
105.07039	40.9
105.99255	2.2
107.04930	9.1
107.08597	26.5
109.06548	5.6
109.10168	21.5
111.08096	4.3
115.05457	15.5
116.06243	2.0
117.07019	66.1
119.04929	3.3
119.08582	23.5
121.06495	6.8
121.10159	6.2
123.08081	4.2
123.11730	3.3
125.09640	43.1
127.97663	1.8
128.06238	8.9
129.07008	29.3
131.04926	6.3
131.08568	41.6
133.06541	12.6
133.10133	8.0
134.46733	2.1
135.08038	14.7
135.11665	5.1
137.06029	2.1
137.09589	3.8
139.07538	2.8
141.06981	13.3
142.07797	2.6
143.04926	4.4
143.08580	18.6
145.06505	18.1
145.10127	16.1
147.08066	3.9
147.11708	2.9
149.09624	8.9
151.11209	2.2
153.07033	4.5
153.09123	3.4
154.07773	3.2
155.08572	19.4
157.06528	6.4
157.10179	8.1
159.08037	8.1
159.11690	9.1
161.09700	2.3
163.11205	2.2
167.07324	2.3
167.08565	9.4
168.09334	2.4
169.10133	14.2
171.08031	6.3
171.10301	2.6
171.11731	8.3
173.11797	2.4
173.13225	4.0
175.11267	3.6
179.08562	2.6
181.10078	3.6
183.07980	2.7
183.11787	4.2
185.09651	2.5
185.13274	6.2
187.14835	21.0
189.11249	32.2
189.12776	2.1
195.11723	5.9
197.13225	21.1
199.11198	5.3
207.11627	2.5
209.13210	2.4
211.14955	2.4
213.12769	6.1
215.14337	100.0
223.11279	3.5
227.12750	35.9
231.13762	3.1
233.15428	4.9
237.12836	4.0
241.12230	5.3
245.13704	3.4
255.13864	2.9
259.13226	2.2
269.15350	2.5
271.16919	9.3
273.14890	2.5
283.16751	2.2
331.20856	2.5
339.23239	7.5
349.21671	14.6
357.24326	2.8
367.18460	1.7
367.22665	39.9
385.23810	19.3
393.50586	2.1
403.24930	5.8
432.40518	2.0
441.26379	56.0
459.27365	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
50.84214	1.7
53.03940	3.5
55.01866	3.5
55.05511	17.7
57.03428	8.5
65.03908	1.8
67.05508	18.7
69.03413	5.9
69.07078	13.1
69.58207	14.6
71.05000	2.7
73.07341	1.6
79.05491	17.7
81.03420	22.4
81.07057	22.0
83.04986	5.8
83.08628	6.8
85.02889	2.6
85.06524	2.0
91.05473	23.9
93.07037	14.8
95.04981	16.9
95.08611	14.8
97.02897	2.6
97.06522	3.7
97.10154	5.3
103.05455	3.8
105.07038	18.8
107.04961	7.6
107.08598	10.4
109.02901	2.9
109.06516	4.1
109.10156	6.9
111.04436	5.1
113.00026	6.0
115.05492	6.5
117.07003	15.5
119.08560	11.4
121.06499	6.2
121.10159	4.2
125.09658	3.3
128.06229	7.4
129.07016	18.9
131.04901	3.5
131.08585	18.6
133.06537	4.0
133.10139	7.3
135.08078	4.5
135.11670	2.7
137.05943	2.4
137.09604	2.3
141.06998	12.4
142.07799	6.8
143.08539	19.7
145.06479	9.1
145.10107	14.4
147.08078	3.4
147.11679	3.4
149.05981	4.4
149.09619	3.2
151.07532	3.5
153.07010	12.0
154.07759	7.0
155.08537	23.0
156.09380	2.6
157.06514	5.1
157.10156	12.0
159.08049	5.4
159.11752	5.6
161.09622	4.9
163.07544	2.6
165.06976	8.7
165.09106	2.2
166.07793	4.8
167.08548	15.7
168.09320	5.4
169.06487	2.7
169.10120	22.2
170.10858	2.3
171.08054	8.3
171.11679	13.8
173.09639	4.6
173.13298	5.1
175.11195	2.2
178.07788	2.7
179.08580	7.6
180.09286	3.9
181.06480	4.5
181.10106	13.8
182.07320	3.5
182.10933	2.4
183.08023	9.9
183.11708	14.7
185.09654	8.0
185.13257	5.8
187.07536	3.4
187.11192	2.0
187.14835	2.3
191.08519	2.8
193.10153	5.5
194.07372	1.7
195.08084	11.6
195.11723	12.3
196.08835	4.4
197.09607	13.5
197.13258	6.0
199.11217	4.4
199.14880	2.3
201.09067	3.0
205.10168	2.7
207.11737	5.4
208.08951	2.1
209.09595	10.1
209.13257	4.9
210.10416	3.1
211.11188	12.1
211.14880	4.1
213.09119	4.9
213.12762	3.2
213.16328	2.3
221.13326	6.3
223.11174	6.0
223.14912	3.4
224.12030	2.6
225.12770	10.2
225.16406	2.4
229.12302	3.6
237.12737	6.0
239.14365	5.2
241.12155	2.7
243.13789	2.6
251.14299	4.2
269.15540	2.5
273.18451	3.5
291.19601	2.1
303.41556	2.0
307.20645	5.2
311.16867	2.1
321.22229	6.0
325.21625	3.9
331.20380	5.0
337.22043	2.8
339.19547	2.0
339.23068	9.6
347.22171	4.2
349.21536	20.6
367.22659	36.2
385.23743	11.8
423.25162	5.2
429.26477	7.4
441.26343	100.0
459.21252	3.1
459.27472	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
65.89168	0.5
67.05521	0.6
68.53563	0.6
68.67316	0.5
70.06585	2.4
71.57838	0.9
74.06087	0.9
76.23537	0.5
79.05482	0.8
79.64438	0.5
81.03413	0.9
85.02898	2.1
86.09706	1.6
89.01254	0.7
93.07007	0.8
99.04458	0.6
100.41345	0.6
100.81253	0.6
105.07061	1.3
107.04967	0.8
109.05158	0.9
120.06586	0.6
127.03931	0.7
133.10106	0.8
134.04626	12.7
137.09743	0.6
140.02773	0.9
149.99992	1.0
150.87845	0.7
152.05685	2.3
153.14282	0.6
165.02325	10.4
167.02647	1.6
178.03584	1.5
182.04958	84.1
183.03355	0.9
183.04826	0.6
193.00500	1.0
208.02876	100.0
209.03027	0.9
234.70195	0.6
296.10019	0.7
314.09290	1.1
318.09662	0.8
327.08676	50.4
328.08835	0.9
343.73669	0.6
360.57944	0.8
459.17886	3.3
480.52310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	5.3
55.05505	6.2
67.05503	18.1
69.03439	6.0
69.07067	10.8
70.70438	15.3
79.05487	6.1
81.07030	9.5
82.91055	5.0
83.04989	6.3
83.08652	5.8
85.02919	12.3
90.19560	4.9
93.07036	6.5
95.08620	27.5
101.21612	5.9
105.07067	6.3
107.08601	21.1
109.06483	7.3
109.10151	100.0
119.08575	36.6
121.10156	18.6
123.08048	12.2
123.11728	9.7
127.03913	6.2
129.34947	5.4
133.10161	19.7
135.11691	86.3
137.09660	16.1
149.13277	6.2
151.07564	5.6
151.11185	11.7
151.14891	7.6
175.14807	41.0
188.00185	6.0
193.15865	56.6
211.16940	89.8
216.02219	5.2
235.66725	4.8
273.03009	5.4
294.02051	6.2
325.89474	5.2
367.59534	5.2
446.73343	5.8
475.06232	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98827	0.6
53.03945	1.9
55.01859	1.7
55.05522	0.6
56.05025	1.4
56.96553	1.1
57.03438	3.4
58.05989	0.6
59.04967	0.6
60.04508	1.6
61.02923	5.1
64.10317	0.5
68.04719	0.7
68.05028	7.6
69.03426	16.2
69.07078	0.7
70.06584	4.8
71.04985	2.8
71.41553	0.8
72.04492	0.7
73.02913	2.7
74.06066	0.5
80.05017	2.9
81.03424	4.6
83.01313	0.7
84.08139	3.3
85.02902	46.0
86.03225	0.7
86.06071	2.8
86.09700	7.4
87.04459	2.4
87.05602	0.5
88.07623	0.6
91.03950	2.0
97.02888	17.5
98.03201	0.8
98.06051	4.6
98.97579	2.0
99.04441	3.3
109.02892	3.7
110.01279	0.7
110.97539	0.6
116.07070	4.7
116.98597	1.8
119.01863	1.1
127.03911	11.6
128.98555	0.7
130.08647	2.7
131.00174	2.1
132.10175	3.4
133.03464	1.1
134.08122	100.0
134.99702	1.0
135.08464	0.9
136.07556	0.8
138.05510	0.7
145.03810	0.4
145.04958	10.7
149.01180	1.1
151.02676	0.6
153.05765	1.0
158.99742	0.7
159.05016	0.7
163.04309	0.5
163.06020	0.9
169.04425	1.0
175.04512	0.8
176.09177	0.8
177.00754	1.2
177.04263	1.4
178.04895	4.0
189.06145	1.0
191.02170	0.9
197.07254	0.5
214.73096	0.5
218.66112	0.6
219.01646	1.2
219.07086	1.1
229.09171	1.5
231.07092	1.4
235.77122	0.6
237.02838	1.1
238.80920	0.5
242.08136	0.8
246.05251	0.6
249.06169	1.4
250.06985	1.2
258.06839	1.0
260.11310	1.2
291.09290	0.7
296.13400	5.5
305.10675	1.2
309.60898	0.6
310.11200	3.4
317.09863	1.0
318.10767	1.9
321.10361	3.9
322.10599	1.6
323.10498	0.7
337.07776	1.1
458.12466	1.2
458.18573	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.3
60.90627	0.9
61.99483	0.9
66.21601	1.0
67.66445	0.9
69.03427	1.5
69.56049	6.3
69.56461	2.3
70.06597	2.6
70.40252	0.9
77.58627	0.9
79.05508	1.0
84.08102	1.4
85.02879	4.0
86.09690	1.4
93.07040	1.3
97.02902	2.0
103.05443	6.3
104.58232	1.0
107.04928	1.7
111.04294	1.1
111.53325	1.1
120.08097	100.0
122.05920	0.9
127.03886	1.5
131.04913	2.6
131.07047	2.1
134.08116	7.2
146.08104	1.1
149.05907	2.0
161.91179	1.0
163.03920	3.0
164.07137	1.5
166.08632	44.9
183.23264	1.1
237.02716	1.7
241.06371	1.2
458.13138	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35088	4.5
53.83701	4.5
64.77773	4.6
67.05494	6.6
69.03417	16.1
69.61430	14.5
69.61852	23.3
78.98613	5.0
79.05484	9.1
81.07044	9.5
85.02876	11.8
91.05469	6.9
91.58189	5.2
93.07040	6.6
95.08614	22.3
96.49995	5.1
97.02910	7.2
98.21454	10.8
105.07019	9.1
107.08582	30.9
108.54240	5.1
109.02866	5.7
109.06544	9.6
109.10166	15.2
119.08677	5.3
121.10146	24.1
125.09660	7.9
133.10133	77.0
135.08011	9.8
135.11691	6.8
137.09595	39.5
139.00578	5.1
139.11191	5.3
146.10786	4.7
147.11691	7.7
149.09595	8.0
149.13260	17.3
151.11165	58.7
163.14839	13.3
173.13252	15.4
191.14308	100.0
209.15375	44.3
298.19986	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
53.06671	2.2
53.87569	2.0
55.01870	4.6
55.05522	2.7
55.67340	2.1
57.03442	3.1
57.07072	3.2
67.05507	6.6
69.03429	31.7
69.07060	12.8
71.04981	4.0
72.08156	3.0
79.05492	8.7
81.03423	13.2
81.07061	11.6
83.04999	6.0
85.02897	17.2
86.09688	6.1
87.00825	6.0
91.05473	10.8
93.07049	12.4
95.04974	2.7
95.08607	8.3
97.02900	6.5
97.06545	2.1
98.20708	4.1
98.97597	4.0
99.04484	3.1
101.11604	2.2
105.01845	4.4
105.07047	6.3
107.08582	17.9
109.02892	9.4
109.06516	5.2
109.10150	6.8
111.08123	1.9
117.07005	2.6
119.08580	5.9
121.06512	12.3
121.10146	14.6
123.08048	6.4
123.11709	4.0
124.78104	2.3
125.05965	2.2
125.09631	10.0
127.03923	7.2
131.08586	5.1
133.10120	10.1
135.08041	12.0
135.11699	4.4
137.09584	6.3
145.10153	3.6
147.04387	2.5
147.11665	19.4
149.09622	8.1
149.13275	10.8
151.07587	2.4
151.11180	3.7
161.09650	4.2
163.14893	2.3
173.13304	15.0
176.11711	2.2
191.14302	100.0
209.15379	85.3
210.14845	3.9
273.49115	2.5
295.08450	2.6
403.23682	2.2
439.18994	2.5
463.89410	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2408
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
52.84192	0.5
53.03946	0.9
55.01874	0.9
55.05506	0.7
57.03424	0.5
60.17893	0.5
62.31762	0.5
67.05512	1.8
69.03432	2.9
69.07063	1.0
70.06571	1.6
70.69739	1.7
71.04991	1.2
79.05477	2.2
81.03413	3.1
81.07053	2.1
85.02898	4.1
85.06542	0.7
86.09691	0.9
87.00825	1.3
87.04465	0.6
91.05464	2.9
93.07022	2.6
95.04980	1.6
95.08604	1.8
97.02833	1.2
97.06496	0.7
98.97579	1.5
99.04453	1.4
105.01837	0.8
105.07014	2.4
107.08607	3.2
109.02867	2.0
109.06523	1.1
109.10147	1.7
116.98631	1.6
117.07055	0.5
119.04967	1.6
119.08567	1.6
120.05324	0.8
120.08080	1.0
121.10104	3.0
123.08051	1.1
125.09650	0.5
127.03916	3.4
127.43777	0.5
131.08577	1.1
133.10124	2.5
134.99687	0.8
135.04414	3.5
135.08040	1.0
135.11729	0.8
136.04765	2.0
137.09612	1.2
145.04939	0.7
145.10126	0.8
147.11688	0.9
149.09615	21.6
149.13152	0.5
150.09969	0.8
151.11212	1.3
159.02840	0.9
161.13110	0.5
165.12816	0.8
173.09697	0.6
173.13193	1.0
174.83595	0.5
177.00754	0.8
181.58714	0.5
191.14270	4.7
203.05267	3.1
208.13324	5.0
209.13643	4.9
209.15428	5.3
231.04958	0.8
241.58408	0.5
251.46751	0.6
277.17770	6.8
295.18845	1.2
315.13455	1.2
316.13651	3.5
325.68515	0.6
385.18289	4.2
413.17923	1.5
457.24078	100.0
458.24332	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35281	6.4
53.32907	6.4
69.03413	29.4
69.07063	14.7
70.92484	19.4
71.04977	11.4
73.78103	6.1
74.70256	6.1
79.05478	11.6
81.03407	17.2
81.07030	9.0
83.04959	10.0
85.02913	16.3
95.08612	14.6
98.97588	7.3
105.07030	12.8
107.08572	37.7
107.14565	6.3
109.02870	12.6
109.06499	12.4
109.10151	18.5
119.08569	11.1
121.10139	28.7
127.03910	20.0
131.08510	10.5
133.10115	55.4
135.08066	12.5
137.09599	36.8
147.11650	16.0
149.09613	14.8
149.13266	17.0
151.11183	48.8
161.09659	6.5
163.14801	8.2
173.13258	22.4
191.14288	100.0
209.15361	72.0
227.16466	11.3
231.05295	6.4
262.95923	6.0
348.05399	6.9
389.66931	6.4
467.83057	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99989	2.1
55.05505	3.3
61.11008	1.9
61.56974	1.9
67.05488	3.3
69.03416	8.0
69.07053	2.7
69.96773	9.1
79.05479	4.2
81.03420	2.8
81.07044	8.3
85.02895	8.6
87.00793	3.1
91.05483	4.3
92.75790	2.2
93.07038	3.0
95.08595	2.4
97.02861	2.4
104.40660	2.3
105.07022	7.6
107.04993	2.3
107.08585	19.3
109.02885	3.6
109.06532	3.5
109.10149	4.9
119.08511	2.7
121.10142	11.6
122.07280	5.5
123.08032	2.5
123.14471	2.4
127.03912	4.7
128.77769	2.3
133.10121	100.0
135.08083	7.3
136.94510	2.1
137.09612	50.3
146.19208	2.0
149.13246	11.7
151.11169	13.8
162.72369	2.4
165.12747	10.8
173.13219	4.7
191.14326	45.5
202.69060	2.0
209.15373	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
54.81448	1.1
55.01868	2.5
55.05502	5.0
56.96558	1.5
57.03437	2.1
65.03943	2.0
67.05502	4.8
69.03426	14.3
69.07057	3.9
69.63303	3.3
69.63720	5.6
70.06597	3.2
71.04987	3.0
79.05476	7.7
81.03420	8.8
81.07054	8.5
83.04966	5.4
83.08618	1.4
84.08208	1.3
85.02912	11.6
85.06548	2.3
86.09695	1.8
87.00846	4.6
91.05471	12.0
93.07053	7.5
95.04968	4.6
95.08609	8.8
97.02896	5.3
97.37982	1.1
98.97587	2.1
99.04450	2.9
99.08091	1.3
99.12525	1.1
102.38767	1.3
105.01881	4.1
105.07019	14.0
107.04977	2.6
107.08588	82.4
109.02882	5.7
109.06511	5.9
109.10163	4.7
111.08072	1.5
116.98627	2.9
117.07022	1.8
119.08544	8.4
120.08137	1.4
121.06511	3.9
121.10136	10.3
123.04408	1.5
123.08082	3.8
123.11708	1.3
125.09648	5.0
127.03916	11.6
131.08571	5.0
133.10124	53.4
135.08057	21.7
135.11703	2.2
137.09621	9.9
139.11227	2.8
143.08588	2.3
144.09393	1.2
145.04985	2.5
145.10147	3.1
147.11707	10.7
149.09669	3.4
149.13281	5.4
151.07588	1.5
151.11232	2.7
153.09024	1.3
158.10922	2.3
159.02939	3.2
161.05957	1.5
163.07538	3.0
163.11208	1.9
163.14844	2.8
165.12784	1.3
173.09755	1.2
173.13287	8.8
175.14807	1.3
191.10701	2.8
191.14299	50.1
203.05319	1.9
209.11917	2.5
209.15366	15.4
228.02222	1.2
231.05101	2.2
246.06192	1.2
277.17780	5.3
279.19400	2.0
295.18716	2.1
371.13684	2.3
413.17551	1.4
454.41464	1.3
457.16214	5.3
457.24158	100.0
458.24298	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56606	2.3
53.03947	7.1
55.01867	6.6
55.05505	6.5
61.02915	3.6
67.05495	12.3
68.10692	2.1
68.99803	2.3
69.03424	15.5
69.07059	5.6
69.56232	5.3
69.56638	13.9
70.06593	8.6
71.04980	8.8
73.02896	3.7
79.05492	24.4
80.31522	2.4
81.03420	16.3
81.06589	2.8
81.07057	53.6
83.04977	5.7
83.08640	4.7
85.02898	19.0
85.06529	5.6
86.09692	6.7
87.00844	5.1
91.05433	11.1
93.07036	23.1
95.04947	8.7
95.08621	11.8
97.02885	7.7
97.06534	7.2
98.20796	5.2
98.97565	2.4
99.04456	5.9
102.12518	2.3
103.05470	2.2
105.01840	2.7
105.07017	11.3
107.04957	3.1
107.08603	13.9
109.02863	10.4
109.06515	82.3
109.10151	8.8
111.04412	2.9
111.08083	3.0
115.56597	2.5
119.08552	7.2
121.06486	5.7
121.10132	12.6
123.08076	5.9
123.11712	4.0
127.03912	17.4
129.06926	2.7
131.08577	6.8
133.10126	13.6
135.08070	7.6
135.11696	2.7
135.53455	2.4
137.09602	3.1
145.04919	3.3
145.10103	3.8
147.11629	11.4
149.09622	39.5
149.13237	8.0
151.11166	5.0
153.09125	4.6
159.02901	4.9
159.11748	3.4
163.14833	3.2
167.14360	2.5
173.13260	8.7
175.14752	3.7
176.19022	2.6
191.10587	3.1
191.14291	40.6
209.07947	2.4
209.11499	3.0
209.15346	30.2
231.04930	3.0
316.13760	3.5
371.16638	8.0
387.20740	2.2
413.17850	21.1
457.16745	47.6
457.24008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.00807	0.3
53.43651	0.3
55.01870	2.2
55.05528	0.5
61.02915	0.9
62.34474	0.4
65.03938	14.6
65.04279	0.8
66.30856	0.4
67.05503	0.8
68.99786	2.4
69.03426	0.8
69.40373	0.7
69.40781	3.0
73.02921	0.4
77.03893	0.4
78.04717	0.3
79.05498	1.7
81.03407	0.5
81.07075	0.6
83.04990	0.7
85.02896	2.4
87.00829	1.6
89.03898	0.5
91.05478	100.0
92.05819	1.4
93.03402	12.2
93.03976	0.7
93.07046	0.5
95.04977	1.0
95.08618	1.0
96.79301	0.4
97.02895	4.3
98.21517	0.7
99.66441	0.4
101.51141	0.4
103.03947	0.9
103.05470	2.2
105.03391	0.9
105.07028	13.9
106.07384	0.6
107.01308	0.6
107.04940	0.8
107.08591	0.5
109.02870	0.7
109.10164	0.6
115.05462	3.2
115.18714	0.3
117.03365	0.4
117.07030	0.8
119.04964	3.1
121.10136	0.5
123.08112	0.5
125.63320	0.3
128.06190	1.0
129.01843	1.1
129.07001	0.8
131.04916	1.4
133.06508	2.1
141.06995	1.0
143.04910	3.1
143.85167	0.4
145.02827	0.6
145.06482	1.1
147.04413	1.3
151.03893	0.4
151.07538	1.1
155.04910	2.4
159.04424	1.4
161.02432	1.2
161.05997	2.9
165.07014	1.2
165.12717	0.4
167.03348	2.1
167.08549	0.8
169.06494	0.6
171.04440	0.9
173.02364	0.8
175.03954	1.3
177.05498	0.6
177.24847	0.4
178.07753	3.7
179.03398	5.0
179.08539	1.3
181.06477	0.6
183.04448	0.6
186.03055	1.2
187.03885	2.3
188.04626	0.6
189.05464	1.6
190.07768	0.5
191.03374	7.3
191.07037	0.7
191.08582	0.9
191.10580	0.4
191.14233	0.5
193.04951	0.5
193.10164	1.6
194.07458	0.4
195.08125	0.6
197.04445	5.2
197.06129	0.6
199.03888	1.1
201.05481	2.7
202.07762	0.5
203.03392	2.2
203.08565	1.3
204.04160	3.1
205.04971	3.9
207.02972	0.6
207.08107	0.8
209.04436	0.7
209.15352	0.6
211.02203	0.5
211.03998	0.6
213.05513	0.5
213.33319	0.4
215.03369	3.6
215.08604	1.1
217.04997	1.7
218.07339	0.6
219.06422	2.4
219.08234	0.3
221.04358	0.4
221.09590	4.9
227.03348	1.0
229.04944	3.0
231.02863	0.5
233.04442	14.3
233.09598	1.2
235.07501	1.1
236.08357	0.5
237.09129	1.2
239.03424	0.4
239.07028	4.5
239.10497	0.7
244.03722	1.8
245.04388	4.2
247.05911	0.8
249.09082	1.0
251.04703	0.4
251.07021	2.3
253.08632	0.9
257.04477	8.9
257.08096	11.0
258.04764	0.6
261.09152	0.9
262.04767	1.2
263.05432	0.8
265.08539	1.7
267.06528	1.2
267.09723	0.4
269.08136	1.6
275.05481	6.5
279.10165	5.5
281.08090	3.3
289.08459	2.2
293.08078	17.2
294.08475	0.6
307.09644	4.1
309.07590	0.7
309.11237	0.4
311.09091	3.6
317.08054	8.9
318.08588	0.4
323.09137	4.3
335.09122	62.1
336.09384	2.5
343.04480	0.7
353.10172	13.9
354.10416	0.6
361.05573	1.2
371.11176	1.1
376.44989	0.4
377.09985	0.5
399.10925	0.4
403.08060	0.5
409.09482	0.5
421.09137	2.8
439.10202	6.0
449.46579	0.4
457.11160	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
52.39739	0.2
53.03939	0.9
55.05480	0.4
57.03436	0.6
61.02935	0.2
65.03939	0.2
67.05497	0.4
69.03432	3.0
69.07050	0.3
69.40816	1.2
69.41253	1.1
70.06602	1.5
71.04992	3.6
72.08134	0.4
72.91081	0.2
73.02890	0.4
79.05494	0.5
81.03060	0.2
81.03423	2.6
81.07045	0.6
82.57010	0.2
83.04984	0.6
83.99995	0.2
84.08129	0.5
85.02908	3.4
86.09694	0.6
89.03921	0.6
89.06029	13.6
91.05453	1.0
93.07034	0.6
95.04965	0.6
95.08623	0.3
97.02884	7.7
99.04435	1.4
105.03401	0.7
105.07021	0.8
107.08588	0.6
109.02872	3.5
109.06496	0.3
110.06057	0.2
111.04425	0.3
117.03345	0.3
117.05526	0.3
120.08090	0.2
121.06475	0.5
121.10157	1.1
123.04423	10.6
125.09553	0.6
127.03914	3.7
131.08549	0.5
133.02846	9.0
135.04393	2.2
135.06480	0.7
135.08049	0.4
136.07608	0.4
145.04955	3.5
149.09633	3.5
151.03893	4.2
151.07483	0.3
151.11139	0.3
163.03874	0.4
173.13205	0.4
179.03383	100.0
180.03755	1.7
191.14354	1.4
209.04402	0.3
209.15341	0.8
217.06828	0.3
243.08446	0.3
261.09634	0.7
302.21039	0.2
348.98483	0.3
371.16904	0.3
413.17892	1.6
457.16138	2.2
457.22922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05502	2.7
56.96553	2.0
57.03426	5.7
59.04980	2.2
61.02917	4.7
67.05502	2.4
69.03423	7.7
69.07070	16.7
70.06587	5.8
71.05009	1.9
71.57539	1.2
73.02917	3.1
75.59062	1.5
79.05493	2.9
81.03414	4.5
81.07038	2.1
82.06574	2.1
83.06117	1.2
85.02905	41.0
85.06529	2.1
86.09708	1.9
87.04433	1.4
91.03964	2.3
91.05480	1.4
93.07052	1.8
95.04986	2.2
95.08578	1.4
97.02898	11.5
97.06526	36.2
99.04462	2.1
99.08101	16.1
107.04955	3.8
109.02894	3.3
109.06519	2.1
111.04424	1.8
113.06007	2.0
115.07565	100.0
116.07912	1.4
119.04918	2.3
120.05297	1.9
122.06017	2.3
127.03938	11.7
128.07086	2.9
135.04445	1.7
145.04945	11.2
147.04396	6.1
147.47699	1.4
148.04735	2.2
148.07549	1.7
153.14870	1.2
163.03896	4.4
163.05992	2.6
169.08624	1.5
179.03406	1.6
190.08867	1.3
219.30788	1.2
230.14490	1.5
231.31622	1.5
241.10742	4.2
259.11844	13.0
259.14420	2.1
275.43533	1.4
277.12851	13.4
301.11719	1.5
322.38840	1.3
412.12952	3.7
456.11325	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
57.06834	1.3
57.07079	18.6
58.06599	2.6
67.05491	3.2
69.07052	4.0
70.06589	16.5
70.84682	2.4
71.08630	11.0
73.02911	1.5
81.07050	4.8
83.08604	2.9
85.10184	3.3
88.07626	24.1
95.08603	3.8
97.10159	1.0
102.09176	16.3
109.10169	1.5
115.07593	1.0
126.12555	1.0
156.17368	1.2
167.71179	1.0
200.20085	57.6
201.20456	1.1
218.21214	4.4
248.95195	0.9
283.26297	59.5
284.26764	1.8
383.27386	1.1
388.03079	1.0
456.44092	100.0
457.29117	6.0
457.44421	2.7
460.71915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Krukovine A
Peak:m/z	Relative Intensity
50.35518	1.6
55.05509	5.9
57.07070	2.2
60.23445	1.8
63.78751	2.0
67.05502	5.5
69.07074	6.2
70.40464	1.7
70.65177	5.5
79.05496	6.5
81.07067	14.0
83.05019	2.1
91.05478	5.7
93.07038	13.4
95.04980	5.3
95.08596	17.8
97.10160	1.7
105.07032	14.8
107.05035	1.9
107.08598	19.7
109.10137	13.5
111.08067	2.8
111.22997	2.2
117.07050	3.3
118.26510	1.8
119.08577	24.8
121.06511	2.4
121.10126	9.7
123.08057	2.4
123.11724	5.2
124.29552	1.8
125.06004	5.7
131.08591	4.3
133.10136	26.5
135.08105	4.1
135.11688	23.9
139.07602	4.4
139.11179	2.4
143.08626	4.7
145.10121	12.3
147.11720	14.7
149.13303	4.1
151.11258	4.1
157.10161	4.0
159.07997	3.8
159.11694	5.7
161.13293	4.5
163.14850	5.5
169.10132	3.9
171.11671	4.3
173.09662	7.8
173.13329	2.9
175.11218	4.6
175.66310	1.7
177.09114	4.9
183.11763	2.4
187.11183	12.2
187.14890	9.2
189.16380	45.8
191.10669	3.1
195.37328	1.9
196.12564	1.9
197.13284	4.9
205.15952	4.8
207.17432	100.0
211.91229	1.8
215.14328	14.0
229.15866	74.9
230.16541	2.1
231.17522	8.4
233.15337	34.8
243.17479	5.9
247.16907	31.9
247.19089	2.3
257.18927	3.1
283.20660	4.4
322.46558	1.7
419.33472	4.5
437.34225	39.4
438.34882	2.4
455.35263	72.7
456.35770	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.96571	1.1
57.03433	1.6
58.73526	1.2
67.05481	1.1
69.03423	1.4
69.07055	1.1
69.75068	7.1
70.06593	1.9
72.08146	1.2
82.06594	1.3
84.04494	1.8
85.02878	3.1
87.04388	1.1
95.04964	1.2
97.02904	1.2
98.21456	2.2
107.04945	2.3
112.73231	1.4
126.05460	1.4
135.04434	2.6
136.07561	1.8
147.04369	1.1
161.01271	1.2
163.03885	8.0
167.07079	5.8
170.02744	1.0
189.05286	2.4
206.05521	7.1
207.06287	12.7
225.07292	1.2
227.05280	3.5
237.00635	2.0
258.24072	1.1
271.04266	4.4
293.11374	1.4
293.14908	1.1
363.80899	1.1
369.11639	8.5
393.11465	1.3
411.12579	44.4
412.13007	3.0
455.11554	100.0
456.11697	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	1.4
70.78651	2.4
70.78990	1.3
99.43961	1.2
104.27187	1.0
404.39081	1.2
455.11612	100.0
456.12015	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50067	15.2
51.82949	16.0
55.05502	49.5
57.03414	18.1
67.05505	99.3
69.03436	20.2
69.07068	92.2
70.09388	86.4
71.04993	23.5
73.78940	18.7
79.05502	90.8
81.03397	20.2
81.07043	97.2
83.04959	20.5
91.05485	95.3
93.07027	99.3
95.04943	42.4
95.08604	99.6
97.06559	31.8
105.07036	100.0
107.04965	42.7
107.08602	48.7
109.06533	19.4
109.10143	59.0
117.07056	30.0
119.08566	73.7
121.06508	34.4
121.10132	74.2
123.04482	22.0
123.11720	20.3
123.89648	18.0
129.07027	35.2
131.08543	42.7
133.10146	76.6
135.11685	23.7
145.10104	33.5
147.11728	23.0
149.09579	23.6
159.11688	37.8
163.03899	73.2
173.76393	21.5
175.03812	16.4
185.09665	21.0
191.03351	43.0
233.08121	63.9
243.06563	19.4
257.79211	17.9
275.20157	38.1
323.16162	27.1
393.24258	32.8
419.22119	36.3
455.23495	19.6
460.96146	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81993	1.0
55.05512	5.2
55.63882	1.0
57.03438	8.2
57.06791	1.7
57.07075	29.9
67.05505	8.8
69.07075	6.4
70.32884	4.1
71.08630	19.3
81.07043	8.6
83.08624	5.7
85.10185	8.5
88.21587	1.0
89.06011	1.1
95.05003	1.3
95.08604	13.5
97.10166	2.6
103.07639	1.0
106.94427	1.0
109.10160	5.3
123.11705	2.7
174.96037	1.2
190.96400	1.4
191.96935	1.1
207.34833	1.1
239.23631	2.2
257.11700	1.3
257.24686	1.5
282.27902	41.0
313.27359	100.0
314.27472	1.6
454.33582	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.03448	3.3
57.07076	22.4
60.89377	2.0
62.05790	2.3
62.06088	26.0
67.05504	4.0
69.07050	2.3
69.50090	4.9
69.50495	12.5
71.08636	13.4
79.53619	2.2
79.98979	2.0
81.07046	4.8
83.08632	3.2
85.10176	8.0
95.08607	6.7
97.10191	3.9
98.98465	4.1
109.07934	2.0
109.10122	2.9
124.01598	2.1
155.01048	6.3
216.06308	2.6
282.27890	11.7
313.27365	100.0
393.24136	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76476	4.5
53.03939	9.0
55.01855	14.7
55.05494	15.0
57.03428	40.4
57.07065	8.0
60.47984	4.6
60.97182	5.0
61.02909	5.8
67.05489	24.5
69.03425	25.3
69.07065	25.7
70.06573	20.2
71.04980	8.2
71.57937	5.0
72.08159	8.6
75.75133	5.4
81.03405	18.7
81.07045	16.5
83.04951	7.3
83.08604	17.2
84.08134	5.1
85.02908	32.2
85.06530	8.3
86.09702	6.6
87.00835	10.0
91.05446	13.6
91.72545	4.5
93.07020	9.2
95.04955	5.0
95.08601	7.6
97.02880	21.2
97.06524	13.5
98.06049	8.1
99.04446	9.3
101.85144	4.9
105.01866	8.2
105.07030	7.8
107.04951	8.0
107.08516	9.7
109.02882	7.3
109.06503	7.6
109.10153	83.5
111.08088	11.5
119.08614	7.1
121.10122	6.9
122.83544	5.3
124.07590	9.2
127.03885	21.3
127.11195	79.8
131.08539	6.1
142.08621	9.4
149.05949	5.2
151.07445	6.0
151.11194	7.3
152.05702	14.4
153.12724	20.3
155.14278	18.7
159.02853	8.1
169.12303	10.2
171.13799	100.0
177.12779	7.0
185.10571	5.3
189.12759	5.6
193.08519	4.8
195.13832	13.3
235.13110	6.6
261.10141	4.7
267.11118	9.3
292.15601	7.5
313.11792	18.2
411.12411	10.7
454.19608	15.7
455.22025	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.05502	29.5
57.07075	3.8
67.05505	42.9
69.03423	15.1
69.07056	15.7
69.37541	34.0
70.06575	3.7
71.04993	83.3
76.57708	4.1
78.17605	3.3
79.05507	19.1
81.03423	8.9
81.07062	59.4
83.04981	6.5
83.08619	15.7
84.08185	4.1
85.02889	18.4
85.06534	11.6
87.00802	4.2
88.46869	3.4
88.65959	4.1
91.05477	10.4
93.07037	29.7
95.04954	8.5
95.08614	59.6
96.08880	3.3
97.02895	7.6
97.06551	12.0
97.10172	14.4
100.07610	4.8
100.11249	37.5
105.01913	3.4
105.07055	12.0
105.51958	3.5
107.04903	4.4
107.08592	25.4
109.02895	7.9
109.06513	4.4
109.10144	29.2
111.04472	5.7
119.08582	10.8
121.10150	28.6
123.11713	18.8
127.03893	7.5
133.10126	6.1
135.11725	22.3
136.07712	3.5
137.13228	9.4
145.10109	5.2
147.08000	3.7
149.13274	9.5
169.42111	3.3
177.16318	3.9
182.15384	7.8
187.07516	3.6
203.05240	13.4
205.08525	5.8
209.16550	11.1
210.14912	11.4
219.21123	10.7
229.11969	6.7
237.22127	66.9
240.06706	3.6
255.23166	44.9
273.14648	15.8
273.17792	3.5
273.24271	14.6
291.12042	44.9
291.15445	7.0
291.25305	7.3
409.18338	3.9
429.23288	3.6
435.33240	12.8
453.17059	100.0
453.21555	51.4
453.34332	34.6
454.17688	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.4
55.05510	33.2
56.96553	3.2
57.03430	1.9
57.07063	3.1
65.03928	1.8
66.10127	1.3
67.05503	20.8
69.03413	8.3
69.07063	21.5
69.15303	1.4
69.70581	8.0
69.72563	1.4
70.06561	5.0
71.04990	40.6
79.05483	11.2
81.03395	6.3
81.07052	29.9
81.15222	1.4
82.06564	5.6
83.04970	3.6
83.08617	22.8
84.04478	5.9
84.08137	2.0
84.08944	2.7
85.02908	11.6
85.06521	4.7
85.21921	1.2
86.06055	1.5
86.09679	2.1
91.05469	5.4
93.07032	15.2
94.06535	3.3
95.04925	4.0
95.08600	29.4
96.08081	1.6
97.02856	3.5
97.06528	9.9
97.10151	4.5
98.09672	2.3
98.97546	3.9
99.04460	2.7
99.08028	1.5
100.07584	5.2
100.11252	100.0
101.11572	7.5
102.56738	1.3
105.06994	5.4
107.04950	1.9
107.08604	10.7
109.02859	5.2
109.06451	1.9
109.10157	13.2
110.06055	1.5
111.04440	10.1
111.11715	1.8
112.07607	3.4
116.98578	5.2
117.07065	1.6
119.08531	6.4
121.10127	13.8
122.06036	6.9
123.04439	3.1
123.08089	1.8
123.11697	8.7
127.03874	5.7
127.08610	1.9
128.07048	6.2
131.08524	2.9
133.10080	4.1
134.99625	2.9
135.08037	2.1
135.11650	7.3
137.05952	2.6
137.13211	3.6
139.08646	6.6
140.07027	1.9
145.06456	1.8
145.10085	2.7
145.16026	1.6
145.77223	1.4
147.08017	2.0
147.11629	2.8
149.09604	1.5
149.13202	5.0
151.03844	3.1
154.12233	4.6
155.08386	1.5
156.13808	5.2
157.09964	2.0
159.08026	2.9
159.11694	1.8
162.09145	2.8
163.14778	3.1
174.12740	5.1
177.00618	3.5
177.16353	1.9
182.15404	19.7
184.07242	2.4
184.13368	1.7
202.12178	5.3
205.08577	6.6
209.16492	22.1
210.14906	16.1
210.16722	3.0
219.01775	2.3
219.21001	5.3
226.19102	5.7
227.19473	2.2
228.15942	1.8
229.13478	2.2
237.02904	3.1
237.22124	31.1
243.11032	2.4
245.12845	3.0
255.23212	22.9
256.23486	1.9
273.12228	4.2
273.14847	1.5
273.24179	5.7
281.18411	2.0
291.13477	16.2
291.19513	2.0
291.25174	2.4
333.05048	1.6
335.24344	1.5
336.22678	4.1
367.14166	2.1
385.15210	6.3
404.83951	1.5
409.14713	2.2
411.16821	3.2
427.15759	1.6
435.33276	19.8
452.56302	1.4
453.17188	13.5
453.34683	91.4
454.17477	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.6
55.01871	30.0
55.05273	3.1
55.05513	44.9
57.03422	13.2
57.07059	3.2
61.02919	4.9
64.32733	3.3
64.40652	3.1
65.03943	2.8
66.68903	3.1
67.05499	43.7
68.35960	2.9
69.03425	37.0
69.07066	93.6
70.06596	5.2
71.04986	8.7
71.58375	2.9
73.02911	6.4
79.05486	41.8
81.03410	39.0
81.07046	48.3
82.06564	7.9
82.88048	3.3
83.04974	22.7
83.08621	22.9
84.08131	3.2
85.02898	63.4
85.06531	3.5
87.00811	5.8
91.05478	40.9
93.07041	47.8
95.04954	22.2
95.08599	41.0
97.02880	14.6
97.06535	44.4
97.10157	18.8
99.04447	13.3
99.08072	6.6
100.07605	5.8
100.11256	84.1
103.03921	14.6
103.05457	4.1
105.01858	3.4
105.07022	41.3
107.04953	29.4
107.08586	35.3
109.02870	17.2
109.06506	28.5
109.10156	15.4
111.04453	24.9
111.08112	7.7
112.07629	3.4
114.09113	3.4
115.05457	5.9
117.06995	18.1
119.04977	4.6
119.08583	36.7
121.06475	17.3
121.10134	20.2
123.04403	8.9
123.08072	17.0
123.11707	6.4
124.23235	3.1
125.09618	16.4
126.09114	3.8
127.03916	27.3
128.06204	6.1
128.07076	8.0
129.05525	3.5
129.07001	14.0
130.07788	6.6
131.04880	3.4
131.08563	23.2
133.06506	9.2
133.09213	3.8
133.10109	19.5
134.99677	3.3
135.08015	15.0
135.11710	8.4
137.05956	7.9
137.09593	9.3
139.08646	6.1
141.06978	4.2
142.07829	4.2
143.08545	13.4
145.06445	7.0
145.10110	54.4
147.08047	7.8
147.11662	12.4
149.05922	8.2
149.09619	10.9
149.13257	4.5
151.07521	6.1
153.09045	6.3
156.13806	5.4
157.06447	3.7
157.10152	17.9
159.02826	3.5
159.08020	8.4
159.11659	18.3
161.05986	8.9
161.09592	11.7
161.13240	5.0
162.07037	3.3
163.03857	3.5
163.07507	6.7
163.11191	8.3
165.09106	3.5
169.10103	4.7
171.11703	8.1
173.13252	10.1
175.07542	9.0
175.11244	8.0
177.12717	4.3
182.15398	27.4
183.11594	4.1
184.07430	4.9
185.09605	4.4
187.07484	4.1
187.11229	5.2
187.14822	100.0
187.16460	6.9
189.12692	7.6
189.16408	6.6
191.10648	3.8
191.14267	4.5
193.12302	7.1
199.09561	4.8
199.11172	6.5
199.14728	3.2
201.12685	4.2
203.10660	8.1
205.08533	5.2
205.12227	3.6
209.16504	14.7
210.14861	27.0
215.07045	3.3
215.10709	3.2
219.13765	6.5
221.11763	5.2
226.19067	6.1
227.17632	10.2
233.15297	5.0
237.14705	4.5
245.18951	5.7
247.13226	4.7
249.14946	5.6
261.10678	4.7
261.14844	14.1
263.12814	6.9
263.20047	7.7
273.18448	12.6
275.16290	4.0
276.72919	4.0
279.15903	10.8
285.14810	3.5
291.16556	4.0
291.19437	20.1
297.18515	4.3
303.15909	11.4
315.19635	18.4
326.27954	4.1
333.80371	3.2
346.10916	3.9
354.97278	3.8
389.80969	4.6
409.26062	4.1
410.30127	4.7
417.22345	5.5
435.23840	4.7
435.33032	16.5
453.24628	6.1
453.34161	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
55.01870	36.2
55.05509	28.3
57.03437	12.2
57.07063	2.4
61.02903	2.0
65.03933	4.4
67.05504	50.6
69.03427	31.6
69.07064	100.0
69.29045	21.7
71.01333	6.1
71.04991	9.0
73.02908	6.3
79.05485	53.7
79.37547	1.9
81.02975	4.1
81.03416	43.1
81.07056	43.7
83.04990	14.2
83.08616	9.6
85.02902	60.7
91.04915	2.4
91.05479	39.5
93.07040	50.6
95.04967	28.7
95.08599	32.2
97.02894	16.7
97.06516	31.7
97.10162	13.9
98.98418	2.4
99.04450	10.3
100.07592	2.6
100.11242	2.9
103.03931	8.7
105.07024	31.6
107.04955	52.5
107.08594	33.2
109.02843	11.4
109.06515	28.5
109.07259	3.3
109.10139	22.5
111.04448	23.1
111.08073	4.7
115.05429	4.1
117.07014	16.8
119.04896	4.8
119.08573	28.4
121.02873	2.2
121.06489	14.3
121.10123	17.2
123.04445	4.0
123.08070	16.6
123.11673	2.8
125.09631	11.2
127.03908	32.4
128.06248	4.6
129.07036	15.9
131.04926	5.7
131.08557	18.7
133.06479	15.8
133.10152	16.8
135.04398	3.6
135.07083	2.8
135.08022	18.2
135.11668	9.1
137.05988	2.6
137.09605	10.2
141.06984	3.2
142.07813	3.6
143.08556	10.8
145.06502	9.5
145.10118	14.8
147.08031	11.5
147.11685	13.1
149.02299	5.5
149.05984	6.3
149.09615	6.3
150.07349	2.3
151.07547	8.9
151.11209	3.3
153.07010	2.5
153.09119	7.3
155.08595	4.9
155.10628	2.3
157.06502	4.4
157.10139	10.2
159.08047	6.9
159.11690	10.3
161.06001	4.6
161.09572	11.1
161.13235	5.9
163.11177	4.6
165.09114	2.3
165.12657	2.7
167.03409	15.1
169.10124	3.2
171.08060	2.8
171.11670	7.3
173.05975	3.3
173.09698	3.3
173.11723	5.8
173.13243	7.1
175.07542	7.8
175.11201	9.7
177.12700	4.3
179.10677	4.6
181.10127	3.7
182.15439	3.7
183.08041	2.5
183.11685	3.7
185.09660	5.4
185.13231	2.7
187.11191	4.3
189.08994	2.5
189.11183	6.5
189.12785	5.8
191.10678	5.3
191.14293	5.4
193.12239	10.2
197.11690	3.3
197.13307	2.6
199.09624	8.1
199.11278	6.2
201.12703	4.3
203.10687	9.7
203.14355	2.5
203.17926	2.5
205.08572	19.3
210.14911	3.0
217.12225	6.0
219.13757	12.1
221.11694	5.5
233.15242	3.4
235.13309	5.2
237.14856	7.3
245.18916	3.3
249.14853	9.6
251.16534	4.3
255.17352	2.7
261.14789	18.8
263.12775	6.6
263.20074	10.8
273.18423	24.2
275.16483	3.6
277.14368	6.9
279.15833	12.9
281.17392	3.5
285.14780	4.1
286.79065	2.1
287.20114	5.0
291.19507	37.9
297.18686	3.4
303.15930	19.3
309.20346	3.3
315.19586	23.2
321.16879	8.1
323.14883	5.0
333.20551	4.5
341.15952	5.0
357.20731	4.6
375.21417	3.7
381.20660	3.5
417.22644	5.9
435.23703	11.6
438.40021	2.5
453.24750	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.8
55.01870	30.9
55.05511	27.2
57.03438	14.4
58.36790	2.8
61.24516	2.7
65.02840	3.0
66.01261	3.1
67.05502	33.3
69.03423	19.6
69.07068	100.0
71.04981	8.2
79.05491	39.8
81.03403	24.0
81.07050	37.0
83.05001	14.5
83.08602	11.9
84.10371	3.0
84.28406	2.8
85.02408	2.3
85.02901	66.6
85.06577	2.7
85.33076	3.0
91.05467	34.2
93.07043	36.1
95.04961	18.6
95.08616	24.2
97.02905	9.0
97.06514	35.2
97.10162	9.6
99.04440	8.2
100.11263	4.8
103.03922	13.0
105.07019	25.3
107.04953	30.6
107.08598	24.9
109.06527	30.9
109.10172	16.2
110.15768	2.8
111.04424	13.2
117.07001	9.3
119.04945	5.2
119.08568	23.0
121.06524	20.4
121.10118	14.7
123.04427	3.5
123.08054	18.6
123.11692	4.5
125.09641	9.2
127.03904	20.5
129.07014	9.7
131.08574	20.5
133.06491	9.3
133.10104	14.6
135.08043	17.9
135.11708	7.3
137.05971	3.9
137.09673	6.7
143.08554	9.5
145.06461	7.0
145.10100	16.7
147.08011	6.3
147.11679	9.7
149.06007	5.8
149.09637	7.4
151.07549	6.2
153.09135	4.8
157.06458	3.3
157.10109	10.7
159.08031	5.1
159.11636	11.7
161.09555	8.1
169.10097	4.2
171.11699	5.9
173.09653	7.0
173.13365	6.0
175.07532	6.5
175.11134	10.0
185.09601	6.9
185.13289	5.0
187.11195	7.4
189.09270	3.2
189.11165	5.1
189.12730	4.4
191.14362	3.5
193.12234	11.0
197.11751	3.2
199.09676	8.3
199.11224	5.8
201.09377	3.1
203.10710	11.6
209.16557	3.8
211.14769	4.3
217.12224	4.6
219.13809	12.8
221.11760	6.5
222.21693	3.3
233.15370	6.7
237.14810	8.1
245.19057	4.0
247.13303	3.3
249.14783	5.1
255.13921	3.8
261.14807	25.2
263.12787	9.3
263.20035	6.7
273.18546	15.7
277.14340	7.2
279.15930	13.4
291.19547	28.3
297.18454	3.5
303.16000	18.0
304.21158	3.8
315.19513	26.1
321.16940	5.0
333.20483	4.5
341.15607	4.1
357.20361	6.9
375.21939	3.5
381.20782	3.7
399.21805	3.9
435.23572	7.7
435.33057	13.3
453.24689	4.8
453.34256	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2274
Annotation	Arisugacin C
Peak:m/z	Relative Intensity
53.03941	5.3
54.04746	2.2
55.01870	9.8
55.05514	13.2
60.00813	1.4
62.12241	1.6
65.03954	2.1
67.05510	33.4
69.03432	6.0
69.07071	26.2
70.20552	1.5
71.05007	3.9
71.58086	1.6
71.58453	2.6
79.05499	40.0
80.06290	2.5
81.03421	24.7
81.07059	28.5
82.04207	10.6
83.04988	11.4
83.08619	3.8
85.06516	1.6
91.05486	26.6
92.06297	2.1
93.07047	26.4
94.04202	3.7
94.07846	2.9
95.04970	46.5
95.08604	19.8
96.09443	2.0
97.06551	8.9
97.10145	4.3
98.60529	2.1
103.05479	2.0
105.03427	5.2
105.07038	20.7
106.07845	2.0
107.04964	89.5
107.08598	19.8
108.05778	2.3
108.09450	1.6
109.06522	7.0
109.10178	6.3
115.05438	3.3
117.07023	15.2
118.07878	1.9
119.04942	4.4
119.08585	14.4
121.06516	27.3
121.10152	14.2
123.04511	2.1
123.08092	10.8
123.11713	1.9
124.08881	2.8
128.06186	1.8
129.07027	5.1
131.08578	16.9
132.09364	2.0
133.02847	16.1
133.06508	8.8
133.10153	9.7
134.10895	2.0
135.08066	16.2
135.11748	2.7
136.08871	1.6
137.09630	8.5
139.11211	4.7
141.07060	1.6
143.08612	3.1
145.06531	3.0
145.10135	8.1
147.08084	6.8
147.11732	3.8
149.09625	61.5
149.26221	1.8
150.10338	4.6
151.11258	2.1
153.01869	3.5
157.06541	3.2
157.10139	5.1
159.08055	2.2
159.11766	5.4
161.02339	29.4
161.05994	2.2
161.09657	5.9
161.13268	2.0
163.03903	10.0
163.07574	2.2
163.11211	5.9
167.08624	2.4
171.11720	4.2
172.95235	2.5
173.02350	14.4
173.05986	2.7
173.13271	2.6
175.11247	4.3
177.12798	2.9
178.13538	1.7
181.08615	2.2
183.04527	1.9
185.06012	2.4
185.09622	2.3
187.03958	3.1
189.12782	2.7
190.96338	2.6
195.11691	1.7
197.06023	2.9
199.04044	6.9
199.14841	2.8
207.13805	2.4
213.05473	3.0
217.15910	3.9
223.13452	2.5
224.14030	2.9
225.05325	1.9
227.14395	3.9
237.14938	5.9
238.06177	1.9
241.05055	4.7
244.61473	1.8
245.15288	10.2
245.19167	2.4
246.19989	2.4
249.14778	2.3
263.16418	39.5
267.10083	1.7
270.30487	2.1
273.18607	5.8
274.19348	6.3
275.20074	13.6
286.99857	1.8
291.19614	6.8
292.20313	62.7
292.23541	3.1
292.41931	1.7
293.21033	12.0
309.11279	1.8
311.05527	1.9
329.06625	4.6
329.13901	2.1
339.15961	3.3
341.13953	2.0
367.15338	4.5
407.22217	4.8
417.20648	5.9
435.21710	100.0
436.22058	5.4
453.22818	57.0
453.33176	1.9
454.23013	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90174	2.3
53.03926	6.2
55.01876	14.5
55.05510	30.1
56.96556	4.2
57.03427	7.0
65.03918	3.7
65.67937	2.1
67.05499	60.0
69.03425	15.7
69.06721	3.2
69.07062	33.7
70.97646	5.4
71.04977	11.1
79.05484	35.8
81.03411	14.7
81.07050	47.4
83.04992	11.8
83.08609	13.1
85.02890	13.4
85.06538	5.0
91.05470	56.4
93.07038	40.3
94.57874	2.1
95.04985	14.0
95.08047	4.0
95.08600	46.9
97.02873	7.5
97.06536	11.6
97.10152	8.9
98.47980	2.3
99.04448	5.7
100.11246	4.0
103.05458	4.4
105.07023	22.2
107.04935	7.5
107.08582	21.7
107.73354	2.3
109.02848	3.4
109.06498	7.8
109.10152	37.4
111.04457	3.8
111.08057	5.2
114.34311	2.5
115.05449	10.0
117.07008	14.6
119.04967	3.3
119.08570	41.4
121.06490	5.0
121.10143	21.8
123.04391	4.4
123.08068	11.4
123.11687	5.0
125.09608	8.8
127.03881	3.3
128.06183	6.6
129.07007	12.8
131.04906	17.8
131.08548	13.1
133.06454	7.0
133.10129	12.1
135.08052	7.2
135.11652	8.6
137.05934	4.3
137.09602	31.7
139.11130	5.8
141.07042	4.4
143.04854	6.0
143.08586	4.4
144.05760	3.0
145.06436	8.4
145.10130	12.0
147.04422	11.2
147.08029	9.4
147.11687	4.1
149.05968	5.2
149.09581	4.8
149.13248	3.6
151.11130	2.8
152.06148	3.9
153.06982	5.6
153.09039	3.3
155.04948	4.4
155.10641	3.5
157.06485	10.8
157.10060	5.3
159.04428	22.1
159.07985	3.3
159.11676	4.5
161.05975	20.3
161.09631	5.7
163.03899	2.9
163.11153	7.6
165.06996	6.9
165.09082	9.4
166.07767	4.4
167.08612	7.6
169.06490	8.4
169.10136	3.0
171.04419	11.6
171.08046	5.7
171.11641	4.9
172.05190	3.3
173.06004	23.7
173.11714	10.4
173.13098	2.6
175.03909	15.3
175.07526	4.8
177.05452	8.0
179.08549	5.4
181.06410	10.8
181.10098	5.5
181.12247	3.6
183.04364	6.5
183.08023	8.9
183.10036	2.6
184.05161	5.1
185.05966	21.0
185.09569	4.9
187.03882	100.0
187.07494	7.1
189.05453	7.2
189.11168	4.2
193.04941	3.0
193.10207	3.1
194.07434	3.7
195.08064	4.7
195.11775	3.1
197.05948	16.7
197.09680	3.6
198.06741	8.1
199.03874	30.9
199.07510	11.8
199.11218	3.6
200.04677	11.2
201.05440	48.5
201.09172	5.1
202.06201	2.7
203.07008	6.4
205.04890	8.2
205.08464	2.5
207.08047	5.5
209.09503	11.1
210.06802	4.8
211.07535	15.5
212.08318	5.5
213.03462	4.3
213.05463	69.1
213.08916	12.8
214.06111	5.2
215.03421	3.1
215.07013	8.5
215.10612	4.0
217.04865	11.9
219.07988	3.4
221.05977	4.2
223.07521	10.3
223.11182	5.1
224.08119	2.8
225.05428	9.9
225.09108	12.7
226.06155	8.0
227.03427	18.8
227.07002	18.9
227.10608	16.2
229.04939	8.7
229.08557	3.4
235.07359	6.6
237.05443	3.1
237.09116	11.4
238.06270	3.4
239.03322	7.7
239.07031	11.1
239.10625	6.9
240.04402	2.8
240.07701	5.5
241.05038	14.2
241.08514	13.8
241.12228	4.7
242.05737	3.8
243.06448	6.9
243.10010	4.0
245.04454	4.7
245.11812	3.7
249.09105	6.2
251.06882	5.6
251.10732	10.9
253.05099	3.9
253.08574	15.3
253.12198	5.3
255.06519	10.0
255.10146	61.2
256.10526	2.8
259.06433	4.4
263.10553	6.7
265.08347	3.9
265.12253	6.0
267.06525	4.1
267.10104	14.1
267.12717	2.6
269.11703	25.8
271.13315	9.6
279.10165	6.1
281.08456	5.3
281.11737	10.6
283.13187	8.8
291.10236	4.3
291.13455	4.3
293.11600	4.8
295.13098	4.3
297.11188	5.9
299.12930	3.5
305.11685	5.6
307.13321	4.3
309.11127	2.8
309.14648	5.0
313.14554	3.2
319.13327	4.4
321.14832	4.3
323.12741	9.7
323.16254	3.2
325.14294	5.0
337.14395	16.4
339.15857	4.8
349.14166	3.8
351.15948	2.6
365.13797	21.1
366.14365	3.6
367.15308	15.0
379.15332	3.5
383.14801	26.7
385.16464	3.7
389.21014	7.9
393.20609	7.9
399.19095	5.9
407.22076	16.7
411.21780	5.9
417.20636	19.1
435.21597	67.2
435.31412	2.5
453.22668	69.0
453.33957	6.8
454.23019	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01859	2.7
55.05506	2.4
57.03432	3.1
57.07054	1.4
64.39821	1.4
67.05483	4.9
69.03423	10.1
69.07069	12.4
69.49625	11.7
69.50014	2.8
70.06581	3.2
71.04987	17.2
79.05486	12.9
81.03426	10.7
81.07051	57.2
83.04955	4.6
83.08558	1.5
85.02905	18.7
85.06548	1.6
86.09694	3.4
87.00816	6.1
89.06033	1.5
91.05450	3.1
93.07046	6.8
95.04965	4.0
95.08584	4.5
97.02869	5.7
97.06519	5.3
98.20715	3.2
99.04443	5.6
105.01858	5.3
105.07025	3.1
107.04916	1.6
107.08579	10.9
109.02882	7.3
109.06519	3.4
109.10134	16.9
113.06001	1.9
119.08531	1.8
120.08080	1.4
121.10118	2.4
123.11686	14.9
124.07593	1.4
125.09648	7.2
127.03921	16.3
127.11169	10.5
133.10107	5.8
135.11678	1.5
136.07492	3.1
138.09102	1.7
141.12740	4.6
143.10669	6.2
145.04968	4.0
147.04424	2.1
151.03920	1.5
151.11172	20.4
159.02866	2.4
164.07060	2.9
169.12231	100.0
170.12477	1.9
176.53418	1.4
181.08676	1.6
187.13252	4.4
213.04056	1.6
231.05045	2.2
260.09875	1.6
276.37112	1.5
277.26596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05509	21.8
57.03434	8.5
57.07074	12.1
58.06925	0.7
59.04993	0.8
59.82840	0.8
62.06080	1.4
67.05499	4.5
69.07066	24.2
70.72357	1.5
70.72721	1.6
71.08630	7.8
79.05486	2.5
81.07055	5.0
83.08615	23.8
85.10181	3.0
87.59003	0.7
93.07023	3.4
95.08610	4.3
97.06521	2.7
97.10165	15.3
98.06052	1.0
98.98474	1.2
104.10737	2.7
107.08576	2.9
109.10141	1.6
111.08066	1.0
111.11731	4.5
121.10141	4.2
125.09641	0.8
125.13223	0.8
135.11670	2.3
140.64087	0.7
145.10023	0.7
149.13239	1.2
154.43092	0.8
155.01001	0.8
157.10046	0.7
172.95218	1.6
184.07379	0.9
190.96272	2.0
193.57254	0.8
219.21124	0.9
280.26434	7.7
311.25790	100.0
312.26019	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01864	2.8
55.05494	3.7
57.03429	2.9
57.07073	2.0
67.05504	17.5
69.03429	13.2
69.07065	7.1
69.24738	3.9
69.25157	10.0
70.06585	2.7
71.04990	24.1
71.77359	1.1
72.05336	1.4
73.02914	2.2
79.05500	5.9
81.03411	8.8
81.07057	14.9
83.04969	3.7
83.08610	1.9
85.02905	18.8
85.06543	39.6
86.09698	4.2
87.00834	5.8
91.05483	14.8
93.07047	6.2
95.04954	3.9
95.08585	4.2
97.02888	5.6
97.06531	5.6
97.86085	1.2
97.97251	1.3
98.06855	1.9
98.28849	1.3
99.04448	3.3
104.10657	1.6
105.01878	5.7
105.07024	15.7
107.08588	13.4
109.02885	7.9
109.06496	2.5
109.10159	21.0
119.08543	1.5
121.10123	2.0
123.08017	1.5
123.11707	6.7
124.07538	1.4
127.03917	10.0
131.08488	1.7
133.10127	39.1
134.10458	1.6
136.07515	1.2
145.04982	3.6
151.11186	34.4
152.11563	1.8
153.01843	1.5
161.05983	2.3
162.06294	1.7
163.03917	2.4
164.04282	1.2
167.03400	1.6
169.12241	36.9
185.09274	1.3
187.13289	100.0
188.13678	1.8
203.07008	4.0
204.07364	5.5
205.08548	3.2
211.13304	1.3
213.09007	1.6
214.09465	1.8
215.06926	1.7
216.07442	1.7
220.19461	1.2
259.09625	3.7
260.10049	6.1
278.10925	1.2
290.06567	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05510	19.3
57.03432	4.5
57.07074	3.0
61.97763	2.0
65.03926	5.1
67.05504	23.7
69.03423	8.1
69.07069	15.0
70.18823	7.3
71.04968	1.9
79.05495	25.7
81.03420	4.5
81.07058	25.6
83.05000	3.4
83.08611	6.1
85.02903	2.2
85.06514	2.1
91.05476	47.3
92.31316	1.8
93.07043	27.5
95.01317	4.2
95.04961	5.5
95.08603	15.8
97.06525	6.0
97.10186	2.7
103.05485	2.1
105.07029	55.0
107.04969	4.6
107.08595	16.0
109.06506	4.7
109.10171	7.2
111.04498	2.7
113.05933	2.5
115.05476	4.9
117.07030	17.7
119.08575	50.7
121.06546	4.3
121.10143	9.0
123.04424	5.5
127.03935	3.0
129.07002	10.1
131.08562	21.6
133.06461	4.2
133.10132	33.6
133.97981	2.2
135.08040	5.2
135.11703	3.3
137.06000	3.3
137.09613	3.5
139.11148	2.0
140.33447	1.9
141.06976	3.6
143.08575	7.7
145.06480	2.7
145.10124	13.9
147.08046	5.2
147.11665	19.4
149.09615	6.1
149.13223	2.9
154.56032	1.9
155.08589	9.5
157.10136	9.7
159.08087	4.0
159.11644	12.5
161.06000	2.1
161.09644	3.9
161.13258	6.2
163.07500	3.0
165.05487	2.2
165.06955	1.8
169.10130	6.3
171.08095	5.0
171.11659	6.1
173.09680	5.0
173.13295	7.4
175.11200	3.6
179.10698	6.4
183.11734	5.3
185.09641	6.0
185.13272	3.3
187.11232	3.3
189.09158	2.4
193.10251	2.2
195.11626	2.2
197.13283	6.2
201.09152	2.1
211.11186	3.7
227.06998	3.0
227.10674	2.5
231.10242	2.7
233.15427	8.1
239.17989	5.4
240.03148	2.1
245.08051	5.6
257.18997	7.4
267.06705	2.5
272.15152	2.2
275.20053	100.0
276.20624	3.7
278.38611	2.2
287.20203	2.6
289.06027	3.5
297.18369	2.7
315.19693	4.5
327.19702	3.2
341.21262	2.3
353.21225	3.1
369.20465	3.2
379.18948	2.6
387.21741	2.6
397.20120	4.5
405.22519	3.1
415.21152	5.5
423.23465	2.4
433.22061	11.1
451.22955	7.4
451.32697	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01862	8.2
55.05513	8.3
57.03431	8.3
57.07067	3.4
59.83614	2.4
61.02921	8.8
65.03951	2.4
65.94204	2.3
67.05508	16.2
69.03428	35.1
69.07062	15.5
69.61996	18.2
70.06595	5.8
71.04991	13.7
72.08159	5.7
73.02906	5.0
79.05493	11.2
81.03423	24.8
81.07056	15.2
83.01310	2.9
83.04983	10.8
83.08603	4.5
85.02904	64.4
85.06535	10.6
86.09711	10.9
87.00842	2.8
87.04468	6.3
91.03980	3.0
91.05483	13.2
93.07051	14.8
95.04960	40.1
95.08583	15.2
97.02890	28.3
97.06541	11.5
98.09703	6.6
99.04458	6.6
100.07625	2.5
103.05455	2.7
105.07039	20.3
107.04940	7.7
107.08581	17.9
109.02876	11.5
109.06541	13.2
109.10168	11.1
111.04431	24.6
111.08087	4.3
113.06047	3.7
115.05434	3.8
117.07043	5.3
118.18428	2.5
119.08562	20.0
120.08102	7.5
121.06525	13.0
121.10123	17.1
123.11725	4.7
125.06004	12.6
125.09612	6.6
127.03936	17.6
128.06224	6.1
129.06952	5.0
131.04924	3.6
131.08553	20.1
133.06502	5.2
133.10144	15.6
135.04475	3.3
135.08063	4.1
135.11710	4.5
136.07602	4.1
137.02325	3.4
137.05971	11.3
137.09569	6.5
139.03865	3.1
139.07561	6.5
141.06990	8.2
142.07764	4.7
143.08563	12.2
145.04984	6.3
145.06436	4.3
145.10146	14.3
147.04456	3.1
147.08084	4.9
147.11722	8.6
149.06015	5.7
149.09599	5.1
151.07524	5.8
151.11160	7.4
153.01883	7.9
153.05568	3.9
155.08514	7.4
156.09384	4.3
157.10130	20.1
159.08076	7.4
159.11699	10.1
161.06038	4.0
161.09628	7.8
163.03944	9.3
163.07527	3.3
165.09096	3.6
167.08528	4.8
169.06529	3.5
169.10130	17.4
169.12239	6.2
171.08012	4.3
171.11696	8.6
173.09662	9.0
173.13240	21.0
175.07457	5.3
175.11179	3.7
177.09065	4.7
178.04999	5.8
181.10110	7.7
182.10904	4.1
182.15375	3.6
183.11731	11.1
185.08064	6.9
185.09633	17.6
185.13216	6.3
186.08487	8.5
187.07564	3.4
187.11148	16.9
189.09064	6.1
189.12842	3.2
191.07033	14.1
193.10190	3.9
195.08109	7.0
195.11655	6.5
196.08820	4.1
197.09666	8.3
197.13297	5.5
199.11197	4.7
201.09195	3.4
201.12630	3.7
203.07021	8.5
203.10550	3.8
206.04500	5.3
207.11720	3.1
208.12497	4.3
211.11215	7.5
211.14828	5.4
213.09117	6.5
213.12659	5.2
213.16451	7.1
215.07007	9.5
215.10670	13.2
217.08687	6.0
223.14804	6.2
225.12755	4.8
225.16438	12.3
231.10185	7.1
231.13809	9.4
239.14275	3.2
240.15129	14.5
241.08507	4.1
241.15862	58.5
243.17444	3.6
253.15938	14.9
253.21567	3.1
259.09698	18.3
259.16956	5.2
271.05850	3.7
271.16907	100.0
271.22714	3.6
273.18481	4.2
277.10654	6.0
287.05246	2.9
289.06827	9.8
289.17920	20.2
337.21146	5.1
354.23740	6.7
451.16574	9.2
451.23221	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00730	1.9
52.65922	1.8
54.75417	2.3
55.01844	2.2
55.05523	10.8
56.96560	2.3
57.03435	4.4
58.41143	1.8
67.05501	17.1
69.03436	3.9
69.07069	11.3
69.41549	9.0
69.41969	8.4
71.04964	2.0
71.29935	2.0
74.64978	1.7
79.05495	21.3
81.03445	2.9
81.07043	19.1
83.04965	2.6
83.08615	6.6
85.02895	2.6
91.05475	47.0
91.70337	1.9
93.07026	12.4
95.01345	2.6
95.04950	6.8
95.08603	11.9
96.16193	2.0
97.02929	1.9
97.06511	6.4
97.10191	3.5
98.20794	3.8
105.07026	53.2
106.52582	1.7
107.08580	13.1
109.06544	5.9
109.10153	7.5
117.07023	9.0
119.08578	37.2
121.06496	3.2
121.10161	7.0
123.04446	2.8
123.08089	3.0
125.09639	3.4
128.06291	1.9
129.06966	5.3
131.08540	18.1
133.10124	37.8
135.08084	2.7
135.11688	2.4
137.05930	1.8
137.09567	2.2
142.72781	2.0
143.08553	3.3
145.06461	2.3
145.10120	14.6
147.11673	18.5
149.06015	2.1
149.09659	3.5
151.07559	2.5
157.10123	4.5
159.11662	10.5
161.09579	3.4
161.13246	4.2
163.03899	7.1
167.08595	2.5
169.10181	2.7
171.11623	3.6
173.09642	3.1
173.13277	6.2
175.11209	2.2
177.09140	2.0
181.04967	5.6
181.08673	2.3
183.11644	3.0
189.12872	2.4
197.13240	3.4
201.56403	2.4
202.96136	2.0
203.10696	3.9
213.63380	1.9
233.15419	4.3
239.17838	2.3
257.19022	5.7
267.09174	2.7
275.20050	100.0
276.20786	4.2
285.10071	3.8
289.05878	2.2
309.13251	3.1
349.45837	2.4
352.20508	2.0
433.22330	14.0
451.23370	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
51.57438	0.8
51.59679	0.9
53.03950	2.0
55.01860	3.3
55.05508	14.2
57.03434	1.2
61.02921	3.1
65.03951	1.6
67.05502	17.9
69.03419	2.9
69.07069	9.9
69.57823	3.5
69.58255	4.3
71.04990	2.4
73.06595	1.1
79.05489	16.0
81.03417	2.3
81.07050	19.2
83.04974	4.9
83.08611	5.2
85.02894	3.2
85.06535	1.6
91.05477	37.1
93.07041	17.0
95.01311	3.1
95.04953	11.0
95.08613	13.0
97.06517	5.6
97.10189	1.6
98.45286	1.0
103.05466	1.8
105.07027	52.0
107.08598	12.8
109.02837	1.7
109.06509	4.6
109.10148	5.2
111.04449	1.3
111.08086	1.7
113.02367	1.0
115.05445	1.4
117.07015	12.3
119.08575	39.8
121.06503	2.9
121.10136	6.0
123.04415	1.3
123.08102	2.7
123.11703	1.4
125.09656	1.3
127.03918	3.7
128.06207	2.1
129.06998	4.2
131.08553	17.3
133.10129	38.8
135.08116	1.9
135.11707	4.3
135.20316	0.9
137.05962	3.0
137.09621	1.3
141.01779	2.1
141.06992	2.2
141.98256	0.9
143.08560	4.2
145.06517	2.9
145.10106	16.1
146.10837	1.3
147.08044	1.5
147.11678	17.0
149.09599	1.3
149.13217	2.0
151.07524	1.2
151.11255	1.3
153.05530	1.1
155.08528	2.4
157.10124	3.8
159.08102	1.4
159.11684	11.7
161.09593	2.3
161.13272	5.4
162.15807	1.0
163.07480	1.4
163.11160	2.4
163.14781	1.7
165.05505	1.8
167.08568	2.0
169.10153	5.5
171.08092	1.4
171.11687	3.0
173.06004	1.5
173.09621	2.2
173.13266	6.8
175.07512	1.3
175.11171	1.9
175.14735	1.2
181.08626	1.0
183.11679	3.5
185.09651	2.6
185.13225	1.3
187.11215	1.6
187.14821	1.0
189.09041	2.0
191.10579	1.2
197.13313	1.9
201.07620	1.2
201.12762	1.8
211.14771	1.5
215.14397	2.0
217.12260	1.1
229.15907	1.8
233.15413	4.3
239.17943	2.5
241.12553	1.1
243.08711	2.0
245.11797	1.4
257.18997	7.2
259.47931	1.0
275.20050	100.0
276.20462	3.1
287.20221	1.1
308.78076	1.0
309.13260	5.1
315.19553	1.1
327.94266	1.1
337.17920	1.1
351.19385	2.0
369.20621	2.3
387.21634	2.8
397.20081	1.9
415.20874	3.8
433.22241	16.0
451.23199	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01870	18.5
55.05509	48.5
57.03416	12.3
57.07067	6.8
67.05511	77.6
69.03420	17.8
69.07059	48.3
70.05815	6.9
70.30767	27.0
71.04987	14.8
79.05493	68.7
81.03419	20.8
81.07063	78.1
83.04967	25.1
83.08593	13.0
91.05479	100.0
93.07034	64.0
95.01327	51.2
95.04974	20.6
95.08607	47.1
97.06538	10.7
97.10158	8.4
101.02357	7.8
103.05466	12.9
105.07022	70.8
107.04950	12.0
107.08548	35.1
109.06475	8.8
109.10150	29.7
113.09740	6.5
115.05466	7.2
117.01009	9.1
117.07002	38.3
119.04944	9.0
119.08582	47.4
121.06507	7.8
121.10138	30.7
123.04419	9.9
123.08059	8.2
123.11622	10.8
127.03902	13.8
128.06189	9.6
129.07018	26.1
131.08591	53.7
133.06529	11.7
133.10115	54.8
135.08026	16.7
135.11697	12.2
137.09590	32.3
139.11191	9.5
141.06953	20.9
143.08615	25.7
145.06487	19.4
145.10085	25.1
147.08102	18.4
147.11703	15.0
149.09601	19.7
153.06943	7.0
154.07693	6.7
155.08551	21.2
157.06500	14.0
157.10097	19.7
159.08058	16.2
159.11681	27.6
161.02382	8.8
161.06013	15.8
161.09595	21.5
163.07561	17.3
163.11177	7.7
167.08475	6.9
169.10120	14.3
171.08046	18.6
171.11740	10.4
173.02374	11.3
173.09627	11.0
173.13297	15.0
175.01553	25.0
175.07556	8.7
175.11192	8.6
181.02655	6.4
183.11751	11.6
185.09563	18.0
185.13322	8.9
187.07535	9.7
187.11163	18.4
187.14793	9.9
189.09158	13.5
197.09636	8.4
197.13263	16.7
199.07741	7.7
199.11247	19.2
201.05330	7.3
201.09097	11.8
203.10686	19.9
205.08380	8.2
207.11792	7.2
211.14925	8.3
213.09244	8.1
213.12695	9.5
215.10686	16.3
225.09186	9.7
231.10184	10.0
239.18013	21.1
243.10162	9.5
257.18912	13.7
261.11313	9.7
271.09644	9.7
275.06177	8.9
275.17188	7.0
275.20157	30.2
284.00500	7.5
285.18607	13.5
297.18741	7.1
303.19724	14.2
315.19556	19.9
327.19312	8.3
331.13000	14.5
343.18600	10.9
351.19418	10.1
353.21167	16.0
369.20590	29.8
371.22037	13.6
379.19141	16.2
387.21875	44.3
395.09927	13.1
397.20087	39.5
405.22702	73.2
415.20920	35.9
433.15097	13.4
433.21753	22.5
434.13626	8.1
451.22592	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.7
53.03943	0.9
53.80326	0.4
55.01861	0.8
55.04866	0.4
55.05497	1.0
56.96582	0.4
57.03417	0.6
57.07063	0.5
61.02906	0.7
61.98743	0.4
65.03928	1.9
67.05502	3.3
69.03428	4.4
69.07062	1.8
70.06597	0.6
71.04989	1.0
71.47466	1.0
73.02908	0.7
79.05502	2.3
81.03400	1.8
81.07047	4.3
83.04962	1.2
83.08625	0.5
84.08120	0.5
85.02899	7.6
86.09678	0.6
87.04478	0.6
89.03932	0.5
91.05487	1.4
93.03392	1.1
93.07024	1.5
95.04945	1.6
95.08599	1.6
97.02896	2.4
97.06521	6.7
98.97554	0.5
99.04431	0.7
105.07005	1.7
107.04923	0.6
107.08581	1.7
109.02880	1.1
109.06528	0.5
109.10154	3.1
111.04414	1.2
119.04859	0.5
119.08547	1.1
120.08128	0.5
121.02841	1.9
121.06510	0.6
121.10113	1.2
123.04425	0.5
123.08085	0.8
123.11696	6.5
127.03882	2.3
129.06958	0.7
131.01270	1.9
131.08566	0.9
133.02805	0.4
133.10107	1.3
135.04402	1.8
135.08066	0.5
135.11678	1.8
137.05988	0.9
145.04974	1.0
145.10144	0.5
147.11678	1.0
149.02325	21.5
151.03886	0.7
156.59891	0.4
159.11652	0.7
161.02341	1.6
163.03893	6.0
167.03389	100.0
168.03751	1.2
173.02296	1.6
177.05392	0.5
185.09503	0.5
189.05458	2.0
191.07054	1.3
201.05357	0.4
203.07045	1.7
207.02560	0.5
207.06525	0.7
215.07033	4.2
217.19627	0.6
229.12181	0.6
231.10239	0.5
259.09604	7.2
271.13269	35.7
289.14331	3.9
289.25580	0.7
307.12476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.01869	22.9
55.05515	60.1
57.03425	13.4
57.07062	19.5
65.03949	6.4
65.88583	4.5
67.05503	78.9
69.03429	15.9
69.07069	41.7
71.04996	26.5
71.58364	7.7
73.30914	3.8
73.75652	3.8
75.28622	4.9
79.05499	75.0
81.03411	19.1
81.07056	79.2
83.04982	41.1
83.08620	19.7
85.02891	8.2
91.05479	100.0
93.07043	62.7
95.01328	34.2
95.04971	29.5
95.08603	56.6
97.02879	8.4
97.06523	19.2
97.10171	17.3
101.02373	8.2
105.07024	82.3
107.04954	13.8
107.08587	42.8
109.02890	5.2
109.06518	17.4
109.10164	27.3
111.04453	7.1
111.08116	4.8
113.02378	7.0
115.05446	7.6
117.01031	12.6
117.07015	42.0
119.04943	6.6
119.08576	47.5
121.06507	14.6
121.10139	28.2
123.04416	11.8
123.08088	9.1
125.09692	5.2
127.03929	5.2
128.06206	12.9
129.07028	34.5
131.04994	6.8
131.08563	50.8
133.06485	15.1
133.10123	45.4
135.04427	10.6
135.08064	25.1
135.11690	11.1
137.05914	7.3
137.09639	28.8
139.03902	7.7
139.11180	5.3
141.01836	6.5
141.06979	15.3
142.07806	11.7
143.08521	25.2
145.06485	31.1
145.10103	32.1
147.04414	12.6
147.07976	21.2
147.11687	16.6
149.06035	9.0
149.09607	18.2
151.03935	4.7
151.07608	6.5
154.07793	6.1
155.08571	22.5
157.06519	9.5
157.10165	23.0
159.08037	18.3
159.11702	16.7
161.02284	6.7
161.06006	12.7
161.09608	16.4
163.03912	4.5
163.07533	15.1
163.11147	13.0
165.03149	19.3
165.05490	8.4
165.06895	5.9
165.09146	4.8
167.08568	10.4
169.10179	23.7
171.08043	9.6
171.11694	14.1
173.02377	14.8
173.06029	8.8
173.09624	22.6
173.13254	10.7
175.01556	41.8
175.03937	4.8
175.07584	9.4
175.11185	13.7
177.05455	5.1
179.08490	9.3
180.76582	4.0
181.02661	8.3
181.10117	12.3
183.07979	6.0
183.11691	11.4
185.09639	18.3
185.13278	9.5
186.77214	4.0
187.07588	8.7
187.11188	22.8
189.05507	7.5
189.09111	10.4
189.12744	5.1
191.10690	6.6
193.08557	6.2
195.08064	4.3
195.11691	5.6
197.09653	7.7
197.13345	9.8
199.07510	5.1
199.11107	7.8
201.05446	5.0
201.09116	9.0
201.12885	10.5
202.77818	4.1
203.07048	6.2
203.10686	15.8
203.12636	7.6
205.12231	5.2
209.13239	5.1
211.07555	5.5
211.11168	10.7
211.18999	5.0
213.09122	8.3
215.07051	8.2
215.10707	13.9
217.08746	8.9
217.12318	4.7
221.11676	7.4
222.13387	5.0
223.11346	5.7
225.09113	6.8
225.16559	5.0
227.10727	10.4
229.08620	4.9
231.10234	7.4
233.11710	5.5
233.15366	5.9
239.17996	10.1
241.19394	4.7
243.10139	11.2
257.18979	13.5
259.09854	6.3
261.11203	6.7
271.09698	4.6
275.06744	6.4
275.20007	28.5
277.21439	4.8
285.18521	13.3
287.19980	7.9
290.18640	11.1
297.18567	15.5
299.16309	6.5
299.19934	4.7
303.19623	22.1
307.11694	6.6
309.14841	5.0
315.19510	14.9
325.12762	14.4
325.18121	5.8
327.19577	6.0
331.13113	26.9
341.17523	5.9
343.19128	9.6
345.16840	5.4
351.19666	5.3
353.21085	9.5
359.22229	6.3
369.20645	20.7
371.22391	9.3
377.09042	9.9
379.19113	7.8
387.22095	43.1
389.23358	8.7
395.10223	26.1
397.20090	29.1
405.22714	44.1
415.21451	24.3
433.15283	13.2
433.21729	19.1
451.16385	16.5
451.22321	19.0
455.70605	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86800	1.2
52.73094	1.3
55.01875	3.5
55.05501	6.0
57.03415	1.5
57.07063	1.3
67.05505	9.3
69.03419	6.2
69.07067	21.4
69.92989	8.0
71.04979	3.2
79.05497	16.3
81.03416	4.3
81.07052	13.1
83.04983	2.8
83.08632	2.4
85.02910	4.6
89.03918	8.3
91.05482	6.8
93.07053	12.3
95.04956	5.7
95.08595	10.8
95.17195	1.5
96.82209	1.4
97.02923	1.4
97.06525	61.2
97.07151	3.2
97.10126	2.7
105.07024	8.8
107.04962	6.2
107.08588	8.4
109.02879	3.3
109.06495	3.1
109.10143	6.9
111.08118	3.3
115.05395	1.8
116.65101	1.7
117.03369	8.1
117.07035	2.1
119.08594	8.2
121.06490	2.4
121.10128	7.2
123.08047	2.3
123.11714	4.1
125.09624	2.3
127.03902	2.5
131.08586	4.6
133.10143	5.0
134.03621	6.9
135.04401	18.1
135.11693	2.8
137.06042	3.2
142.07681	1.7
143.08600	2.3
145.02835	12.2
145.06476	2.3
145.10130	4.1
147.11707	4.9
149.09610	2.7
149.13258	5.1
151.07512	1.7
156.42673	1.5
157.10110	2.7
159.04320	1.4
159.11694	4.4
161.02376	4.1
161.09631	1.9
161.13277	2.1
163.03906	98.1
163.07555	4.9
163.11206	1.5
163.14789	2.2
166.07729	1.4
169.10178	2.2
173.02336	12.6
173.13242	2.2
175.11197	1.6
175.14760	1.6
177.09302	1.8
183.11642	1.7
185.13226	1.4
187.11133	1.6
191.03471	2.3
201.16351	1.8
215.07043	14.4
233.69307	1.4
259.09656	100.0
260.09943	3.0
289.15314	1.6
289.25052	1.7
344.90668	1.7
351.08990	1.7
418.46481	1.6
433.15344	1.6
433.29526	2.2
451.30988	2.1
460.39960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91356	1.2
69.86990	1.0
70.78255	3.6
75.59301	1.3
111.47893	1.2
117.50134	1.4
129.87317	1.3
202.94664	1.3
245.70694	1.3
251.05974	1.5
391.02579	2.4
451.04880	100.0
451.13077	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29908	4.4
55.01848	5.3
56.96561	70.0
57.03433	11.3
58.06548	4.2
61.02914	7.1
68.40726	4.6
69.03422	24.4
70.06565	4.6
71.04984	4.4
71.45252	5.9
73.02899	11.2
73.94685	4.7
79.05459	4.4
81.03410	9.1
84.08129	5.7
84.96029	13.2
85.02910	60.8
86.03192	4.6
87.04404	6.1
91.03991	5.4
97.02883	34.3
98.03108	4.3
98.97575	74.7
99.04466	6.1
107.04932	8.3
109.02847	6.0
109.07654	6.7
110.97550	8.5
115.03961	4.2
116.98611	65.5
119.01926	17.2
119.03570	4.0
121.01741	4.5
126.05502	51.2
127.03904	19.6
127.04945	4.9
127.05862	15.3
127.08711	11.3
128.98624	22.4
131.00139	14.2
131.01901	11.2
133.01695	7.7
133.03473	9.0
134.99631	34.1
139.03969	6.3
143.08138	6.4
145.01709	6.0
145.03485	8.5
145.04909	14.3
146.99631	28.4
149.01234	20.8
149.06638	10.5
151.02739	8.6
158.99652	27.0
160.70267	4.7
161.01205	25.4
161.02934	10.8
161.04649	4.6
161.06566	13.4
162.99112	5.0
163.02693	4.8
163.03912	12.3
165.00679	12.9
167.02252	8.3
170.05168	12.4
170.99600	8.4
171.04985	5.3
173.01237	6.5
173.02983	11.0
173.06564	7.8
175.02818	7.2
177.00696	38.7
178.04892	14.5
179.02211	7.5
179.07619	11.0
185.06619	13.2
187.02716	4.9
188.97040	5.3
189.00644	9.8
190.98578	16.3
191.02261	11.1
191.07602	4.4
195.05222	4.6
199.04701	5.2
201.00629	9.0
201.04297	6.6
203.02261	4.8
203.07597	21.1
205.00197	8.6
205.03862	6.1
206.98093	6.8
207.01714	9.9
209.01392	4.7
215.07648	21.6
216.60437	5.2
217.03851	6.0
219.01720	33.7
221.05037	17.7
227.07584	6.6
232.99599	11.9
237.00504	7.2
237.02803	86.7
239.07690	8.1
241.72699	5.5
242.07294	15.8
247.01089	6.9
247.04840	5.4
248.99171	9.4
251.07773	10.8
255.03952	11.0
263.00696	7.1
267.00378	8.0
275.04773	4.9
275.09747	13.3
277.05978	14.3
281.01883	7.8
291.00287	5.7
293.10895	9.8
295.06967	79.2
305.10809	77.3
309.08298	6.6
310.11005	18.9
310.61417	6.0
318.08240	7.5
321.08624	7.5
323.06366	9.7
323.11771	12.6
335.06354	5.9
339.09482	5.1
377.00156	6.8
422.50516	4.8
451.04248	100.0
451.13538	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03176	0.2
55.01863	0.2
55.05500	0.3
57.03426	0.2
65.03934	0.2
67.05492	0.4
68.99787	0.6
69.03413	0.5
70.06580	0.4
71.04092	0.2
71.05012	0.3
71.52001	0.2
71.57180	0.3
73.46121	0.2
78.04708	1.9
79.05499	1.1
81.03399	0.5
81.07034	0.5
84.08170	0.2
85.02902	1.3
86.09705	0.5
91.05477	0.5
93.03367	0.2
93.07045	0.4
95.04956	0.7
95.08568	0.2
96.05754	0.2
97.02863	0.5
105.01888	0.5
105.03382	0.4
105.07001	0.3
106.04153	1.5
107.04942	0.8
107.08617	0.2
108.04441	0.2
109.02863	0.7
109.06498	0.3
111.00782	0.4
111.04412	0.3
116.41853	0.2
119.08527	0.5
120.08053	0.3
121.02865	1.4
121.06496	0.3
122.03101	0.5
123.04427	5.7
123.05334	0.3
124.05220	1.9
124.07581	0.2
124.99968	0.2
127.03882	0.7
128.07104	0.2
133.02834	0.4
133.10159	0.3
134.03638	0.4
135.04427	0.4
136.07565	0.2
137.02315	0.5
137.05966	0.6
145.04919	0.6
147.04414	0.3
147.11673	0.6
148.04614	0.2
151.03894	1.1
152.04674	1.3
153.01805	2.1
154.02191	1.0
157.06387	0.2
165.01801	0.7
166.02187	0.4
167.07031	100.0
168.04152	0.2
168.07367	1.5
175.14830	0.8
183.02818	0.2
184.03113	0.2
184.07375	0.6
185.05974	0.4
186.06297	0.3
213.05534	0.4
214.05791	0.6
217.15950	0.4
231.04982	0.2
232.06905	0.3
233.78204	0.2
235.16838	0.4
241.05048	0.3
241.08440	0.3
242.05254	0.4
242.08839	0.5
243.14615	0.3
258.05377	0.3
259.05362	0.4
261.58044	0.2
269.07944	0.3
270.08331	0.7
271.14554	0.3
282.20923	0.3
284.09616	0.2
287.05502	16.8
288.05832	40.9
288.21786	0.4
289.06091	1.6
289.15399	0.2
450.15601	0.2
450.26276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01858	0.6
57.03418	0.2
61.02916	0.5
62.63892	0.2
69.03080	0.2
69.03426	2.4
70.70214	0.5
70.70549	0.4
71.04971	0.4
73.02932	0.3
78.04706	2.0
79.05470	0.8
81.03418	2.8
83.04971	0.2
85.02897	5.6
86.09717	0.2
87.00823	2.3
91.03963	0.2
91.95516	0.2
95.04950	0.8
96.05727	0.4
97.02888	2.3
99.04440	0.8
105.01833	1.2
106.04157	0.9
107.04952	0.4
108.04463	1.3
109.02886	2.8
117.01842	0.5
123.04424	5.1
124.05216	1.9
126.05515	0.8
127.03903	3.3
127.77811	0.2
129.01813	0.3
132.04411	0.2
134.03584	0.3
135.04390	0.2
137.05884	0.3
145.04915	1.4
147.02898	0.3
151.03914	1.0
152.04677	1.1
153.01846	0.3
159.02928	1.3
163.03905	0.3
167.07027	100.0
168.04233	0.3
168.07385	2.0
183.03181	0.2
199.07063	0.2
213.04018	0.2
230.06590	0.5
231.05054	0.5
248.07573	0.7
259.11685	0.4
260.12366	0.4
261.12436	0.6
287.05521	1.3
288.05841	2.6
288.08936	0.4
300.95242	0.2
302.84302	0.2
450.19876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03934	1.8
55.05521	0.8
57.03425	1.7
57.03677	0.7
57.75996	0.7
58.60317	0.8
61.02914	2.1
62.16886	0.9
64.03556	0.6
66.70369	0.7
67.05486	2.3
68.99793	1.4
69.03434	3.6
69.07043	1.0
70.96761	1.6
71.04980	1.0
71.38486	0.6
72.87303	0.7
73.02898	1.0
79.05476	1.7
81.03386	1.6
81.07051	2.2
85.02905	9.5
91.05497	0.9
93.07016	1.4
95.04958	0.9
95.08594	1.5
97.02879	2.4
105.07003	1.6
107.04939	1.3
107.08559	1.6
109.02854	1.0
109.10130	0.9
111.00751	1.2
117.06979	1.3
119.08528	1.4
121.02918	3.7
121.03607	0.8
127.03918	1.3
153.01810	7.3
165.01799	2.3
185.05977	0.9
213.05484	2.6
231.06560	1.2
241.04944	1.1
258.05298	1.4
287.05475	100.0
288.05746	4.2
299.05194	0.9
322.76675	0.8
372.59280	0.7
449.21252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35271	1.3
63.41805	1.4
63.82843	1.4
69.03432	1.7
69.69626	10.2
74.19386	1.3
84.04484	3.3
85.02902	2.3
86.09669	1.9
88.85111	1.6
98.97644	1.4
119.19181	1.7
121.02832	2.5
126.05559	1.9
132.04430	1.7
137.02335	2.4
149.20624	1.6
153.01825	6.3
163.03922	4.8
165.01884	2.1
185.05943	1.6
213.05501	2.2
241.08488	1.6
258.05197	2.0
260.12332	2.2
269.08051	1.5
287.05490	100.0
288.05945	3.3
333.87372	1.4
394.39398	1.7
438.20648	1.4
449.14194	45.2
449.19247	2.3
450.14642	1.7
460.34485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
61.02925	1.9
68.99768	0.9
69.03419	2.8
70.13696	1.9
70.14096	2.0
73.02895	0.8
81.03416	1.8
81.63335	0.8
85.02901	8.1
97.02888	3.0
111.00825	0.8
111.74241	1.0
121.02863	3.5
127.03922	1.8
128.42842	0.7
131.63492	0.8
137.02422	0.8
145.05009	1.1
147.04317	0.9
148.03566	0.8
153.01817	5.6
155.91028	0.8
165.01855	1.4
165.41559	0.8
193.64249	1.0
213.05521	1.6
231.06525	0.9
258.05219	1.6
287.05490	100.0
288.05804	4.1
334.39069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
56.05569	0.2
56.05852	0.2
57.03426	0.2
62.42466	0.2
68.99780	0.9
69.03411	0.5
69.07034	0.3
69.78793	0.4
69.79181	1.5
70.06570	0.8
81.03413	0.3
83.04970	0.3
85.02887	0.6
86.09688	0.4
97.02856	0.4
103.05479	0.2
105.03349	0.4
107.04956	0.7
109.02790	0.3
111.00792	1.0
120.08128	0.3
121.02853	3.8
123.04404	0.4
127.03907	0.4
131.04875	0.2
133.02866	0.6
135.04446	0.3
137.02319	1.0
141.06906	0.3
145.06509	0.4
147.04401	0.9
153.00580	0.3
153.01822	5.4
157.06464	0.6
163.03796	0.4
165.01825	2.1
167.07040	0.8
171.04387	0.4
183.02875	1.3
185.05943	0.7
197.06068	0.4
213.05452	2.1
231.06487	0.7
241.04916	0.9
241.08592	0.5
246.74802	0.3
258.05270	1.3
259.06042	0.7
269.04355	0.4
269.08060	0.5
287.05484	100.0
288.05826	2.9
302.32074	0.3
338.63226	0.2
405.17349	0.4
449.10464	0.3
468.46408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03932	0.2
55.01864	0.3
55.05503	0.2
57.03419	0.3
61.02914	0.3
65.03931	0.2
66.16032	0.1
67.05491	0.3
68.99471	0.2
68.99792	0.9
69.03439	0.8
69.07053	0.2
70.06574	0.5
71.04974	0.5
71.57145	0.2
71.57529	0.1
72.08129	0.1
73.02890	0.1
79.05486	0.7
81.03413	0.6
81.07043	0.5
83.04971	0.2
84.04482	0.1
84.08096	0.2
85.02420	0.2
85.02901	2.8
85.06505	0.1
86.09652	0.2
91.05437	0.3
93.07037	0.3
95.04935	0.3
95.08576	0.2
97.02886	0.6
97.06503	0.2
99.04455	0.2
99.08080	0.2
103.05458	0.2
105.03397	0.4
105.07012	0.3
107.04961	0.7
107.08612	0.2
109.02882	0.9
109.10239	0.2
111.00791	0.9
111.04429	0.4
113.54944	0.1
113.94529	0.1
117.07004	0.2
118.80239	0.1
119.08553	0.3
121.02855	3.4
121.03754	0.2
121.04137	0.1
121.06522	0.2
121.10174	0.1
123.04424	0.2
124.07533	0.2
127.03901	0.8
128.06171	0.1
129.06941	0.2
130.55724	0.1
131.04875	0.1
131.08546	0.2
133.02843	0.6
133.10091	0.2
136.07579	0.2
137.02338	1.3
141.07083	0.1
142.19595	0.1
145.04935	0.3
145.06471	0.4
145.10103	0.1
147.04390	0.9
147.08040	0.1
147.11589	0.1
149.05951	0.1
151.03798	0.1
153.01814	5.3
154.01892	0.1
157.06454	0.7
161.05997	0.3
163.03896	0.2
165.01817	2.0
167.07019	0.3
171.04373	0.2
175.04018	0.1
183.01433	0.2
183.02885	1.1
184.13383	0.1
185.05942	0.6
189.05479	0.2
197.05981	0.2
199.03882	0.2
201.05504	0.2
203.03438	0.2
203.07022	0.3
213.05438	1.9
217.05042	0.1
229.04939	0.2
231.06468	0.9
241.04916	1.2
243.06255	0.2
252.13043	0.2
257.04547	0.2
258.05234	1.4
259.06061	0.8
269.04318	0.2
287.05472	100.0
288.05814	2.9
288.08835	0.3
303.04929	2.1
311.05685	0.2
329.06464	0.4
449.10873	1.3
449.29431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
54.39948	0.1
55.01845	0.4
57.03437	0.9
58.61095	0.1
59.48174	0.1
61.02924	1.5
65.03938	0.2
66.13161	0.2
67.01838	0.1
67.82829	0.1
68.99798	0.9
69.03090	0.2
69.03429	2.9
69.47078	1.1
70.34577	0.1
71.04973	0.4
73.02897	0.5
79.05471	0.2
81.03416	1.6
83.01308	0.2
85.02901	8.9
87.04449	0.3
91.03951	0.4
95.04949	0.2
97.02882	3.0
99.04450	0.5
105.03379	0.5
107.04952	0.5
109.02872	1.0
111.00800	0.8
111.04443	0.2
121.02851	3.1
124.01581	0.1
125.27979	0.2
127.03910	1.7
127.46368	0.1
129.06989	0.1
133.02826	0.6
133.56087	0.1
135.04398	0.3
137.02321	1.1
145.04964	1.2
145.06519	0.3
147.04411	0.8
147.09268	0.1
153.01820	5.3
157.06494	0.5
161.06015	0.3
165.01826	2.3
171.02991	0.1
171.04395	0.3
177.71179	0.1
183.02898	1.2
185.05943	0.6
189.05484	0.2
197.05849	0.2
203.06981	0.3
213.05443	1.6
229.04924	0.2
231.06465	0.8
241.04971	1.0
258.05231	1.4
259.06042	0.5
269.04538	0.2
287.05481	100.0
288.05838	3.1
299.05557	0.4
300.06177	0.2
311.05496	0.2
329.06531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.88864	0.2
53.03956	0.2
55.01873	0.2
60.33580	0.2
62.23572	0.1
65.03943	0.2
65.51763	0.2
65.61665	0.2
68.79362	0.2
68.99782	0.8
69.03435	1.2
70.06574	0.2
70.91203	0.5
73.79436	0.2
78.38364	0.2
79.05479	0.2
82.63538	0.2
85.02901	0.6
90.85760	0.2
91.05441	0.4
95.04944	0.3
97.02892	0.3
99.61720	0.2
103.76653	0.2
105.03405	0.5
107.04949	0.9
109.02892	0.4
111.00781	1.2
111.04430	0.2
121.02859	3.5
124.40955	0.2
127.03892	0.3
129.07028	0.2
129.67780	0.2
131.04926	0.3
131.08481	0.2
133.02834	0.7
135.04419	0.3
137.02309	1.7
137.64073	0.2
145.06493	0.5
147.04376	0.9
149.02364	0.4
149.05930	0.2
153.01819	6.0
157.06456	0.5
160.05203	0.2
161.05954	0.3
165.01825	2.7
167.08548	0.2
171.02937	0.2
171.04414	0.4
173.05913	0.3
175.03868	0.3
183.02856	1.1
185.05983	0.8
195.08043	0.4
197.06052	0.3
198.06886	0.2
199.07558	0.2
207.03986	0.2
213.05415	2.4
213.09059	0.5
214.05809	0.2
223.07535	0.3
229.05093	0.2
231.06458	1.0
241.05016	0.9
241.08588	3.1
251.07033	0.5
256.06949	0.3
258.05273	1.5
259.05829	0.5
269.08047	6.0
270.08389	0.2
281.29431	0.2
286.08429	0.3
287.05493	100.0
287.08853	6.2
288.05838	4.2
293.08060	0.7
311.09128	0.7
329.10315	0.2
444.37238	0.2
446.60977	0.2
449.14883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.94174	0.4
53.03923	0.6
54.23301	0.5
57.03416	0.7
58.85154	0.5
61.02926	0.9
63.53808	0.4
69.03412	2.1
70.85559	1.5
71.04988	0.7
77.26151	0.6
81.03404	0.7
81.07034	0.6
85.02498	0.5
85.02905	5.3
97.02860	1.5
107.04939	1.5
109.02864	0.6
111.00734	0.6
121.02862	1.9
127.03866	1.0
135.04414	1.6
137.02373	1.3
145.04950	0.9
147.04395	0.6
153.01831	8.7
165.01849	1.4
177.55696	0.6
185.05919	0.8
213.05472	2.4
231.06487	0.7
240.48323	0.5
241.04962	1.3
255.06390	0.6
256.06848	1.3
258.05402	0.7
287.05499	100.0
288.05817	4.3
303.05020	0.7
313.66849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.1
55.01873	0.1
57.03436	0.2
60.04498	0.2
68.99795	0.7
69.03406	0.3
69.29918	0.4
69.30338	0.9
70.06582	0.2
71.04972	0.1
72.08147	0.3
79.05473	0.3
81.03400	0.3
82.74825	0.1
84.04505	0.1
85.02882	0.4
86.09712	0.2
89.06013	0.3
91.05430	0.2
95.04960	0.3
97.02870	0.2
103.05434	0.2
105.03375	0.6
107.04934	0.6
109.02854	0.5
111.00796	1.0
111.04443	0.2
119.08517	0.1
120.08082	0.5
121.02858	3.3
123.04410	0.2
129.07014	0.2
133.02811	0.5
135.04424	0.3
137.02322	1.4
137.03424	0.4
138.77493	0.1
140.07025	0.2
145.05028	0.1
145.06482	0.5
147.04416	0.8
153.01819	5.2
153.51463	0.1
157.06487	0.5
161.05962	0.2
162.40231	0.2
163.03903	0.4
165.01814	2.1
166.08643	0.3
167.07045	0.2
168.60379	0.1
171.03000	0.2
171.04443	0.3
183.02885	1.3
184.07605	0.2
185.05930	0.8
189.05441	0.2
197.05931	0.3
201.11009	0.1
206.48387	0.2
213.05440	1.8
231.06566	0.8
234.97142	0.1
241.05025	0.8
241.08723	0.2
243.06444	0.2
251.97055	0.2
252.97951	0.3
258.05228	1.6
259.05966	0.5
268.60431	0.1
269.04547	0.2
269.07983	0.3
275.97086	0.4
287.05478	100.0
288.05801	3.4
329.06192	0.1
405.17404	1.1
449.10736	0.4
449.15820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.40469	0.5
53.02741	0.5
53.03942	1.0
55.01868	0.7
55.05500	0.9
57.03432	1.6
61.02906	1.6
62.08519	0.5
67.05479	1.3
68.99791	0.7
69.03431	5.6
70.06588	1.8
71.04979	0.6
71.32430	0.6
71.57755	0.9
79.05480	1.9
81.03430	3.1
81.07053	1.5
83.04954	1.0
84.08121	0.7
85.02421	1.0
85.02896	10.3
86.09733	1.0
89.44752	0.6
91.05462	1.9
93.07050	1.2
95.04951	1.0
95.08592	1.9
97.02885	3.5
97.06578	0.7
99.04449	1.1
105.03378	0.8
105.07034	1.4
107.04900	1.0
108.83430	0.6
109.02863	1.8
119.08594	1.2
121.02876	4.1
121.10137	1.0
127.03900	2.2
128.72008	0.6
136.07581	2.2
137.02332	1.8
145.04967	1.5
145.10164	0.6
147.04434	1.4
153.01791	6.0
161.05957	0.7
164.07076	1.6
165.01837	2.2
183.02905	0.9
185.05994	0.9
195.07948	0.9
201.05614	0.7
213.05476	2.5
223.07568	0.9
231.06450	0.9
241.04872	1.3
241.08571	5.4
241.13152	0.6
250.21864	0.7
251.07030	1.8
256.06885	0.7
258.05316	1.1
269.08026	9.4
286.08591	0.7
287.05505	100.0
287.08911	8.8
288.05841	4.0
346.26300	0.6
428.95535	0.7
430.27179	0.6
431.28360	0.9
448.29050	1.5
449.19806	0.9
449.29324	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.51280	0.1
53.03939	0.2
55.01864	0.3
57.03424	0.2
61.72431	0.2
65.03905	0.2
65.75815	0.1
66.32487	0.1
67.05489	0.2
68.99789	0.8
69.03431	0.9
69.07066	0.3
70.06583	0.6
70.13203	0.2
71.04971	0.4
71.57845	0.1
71.58257	0.2
72.08138	0.2
79.05481	0.5
81.03394	0.5
81.07053	0.3
83.04965	0.2
84.04498	0.3
84.08131	0.3
85.02907	1.0
85.06518	0.2
86.09709	0.5
89.06015	0.8
91.05487	0.4
93.03484	0.2
93.07028	0.5
95.04968	0.4
97.02884	0.5
97.06525	0.2
99.04430	0.2
105.03372	0.3
105.07025	0.2
107.04957	1.1
107.08611	0.2
108.08085	0.2
109.02869	0.6
109.06519	0.2
110.23560	0.2
111.00792	0.9
111.04427	0.4
116.07050	0.1
121.02860	3.1
121.06510	0.2
121.10117	0.2
123.04458	0.2
124.07507	0.2
127.03899	0.6
129.06990	0.2
129.10144	0.1
130.05048	0.2
130.62392	0.1
131.04922	0.3
132.08029	0.2
133.02838	0.5
133.10085	0.2
135.04405	0.9
137.02341	1.5
137.06023	0.2
145.04968	0.3
145.06482	0.4
146.08057	0.2
147.04410	0.9
151.03897	0.3
153.01822	6.6
157.06480	0.6
159.08069	0.2
161.05956	0.3
163.07526	0.2
165.01828	2.1
167.03426	0.3
167.07034	0.6
171.04411	0.3
175.07558	0.2
183.02875	1.1
185.05927	0.8
189.05507	0.2
195.06586	0.2
195.10081	0.2
203.03239	0.2
203.07077	0.2
213.05444	2.3
213.11147	0.3
229.04964	0.3
229.08658	0.2
231.06549	0.8
241.05025	0.9
258.05173	1.2
259.06000	0.6
286.04459	0.2
287.05481	100.0
288.05832	3.0
292.22665	0.2
328.24860	0.8
332.11514	0.2
449.10550	0.3
449.20041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01852	0.5
55.05500	0.9
57.03436	0.7
61.02913	0.6
65.03955	0.3
67.05484	0.9
68.99787	0.6
69.03431	2.4
69.07047	1.0
69.31180	1.3
69.31611	1.6
70.06596	0.5
71.05023	0.3
72.08128	0.4
76.74538	0.3
79.05479	1.1
81.03410	1.9
81.07057	1.5
83.04963	0.4
83.08629	0.3
85.02434	0.4
85.02901	5.0
86.09685	0.8
91.05458	0.8
93.07030	0.8
95.04950	0.6
95.08590	1.2
97.02896	2.1
97.10201	0.3
99.04420	0.6
100.11253	0.3
105.07022	0.9
107.04945	4.3
107.08601	0.8
109.02864	1.2
109.06534	0.3
109.10134	0.8
110.06034	0.7
111.00797	0.5
117.06979	0.5
119.08566	0.6
120.08089	0.9
121.02866	0.8
121.10158	0.8
123.11700	0.3
127.03900	1.1
131.08588	0.5
133.10130	0.8
135.04417	6.5
135.11597	0.4
136.07562	0.4
137.02342	0.8
137.05957	0.6
143.08533	0.4
145.04970	0.6
145.06458	0.3
145.10164	0.6
147.04425	0.7
147.11719	0.4
149.13348	0.3
153.01823	20.1
157.10034	0.3
159.11713	0.3
161.05942	0.4
163.03870	0.4
163.07549	0.4
165.01868	0.8
171.02982	0.3
173.07196	0.3
180.13634	0.4
181.04890	0.5
185.06029	0.3
189.05385	0.3
189.09213	0.4
195.07889	0.3
196.10068	0.3
197.13297	0.3
203.03502	0.3
203.05275	0.7
213.05429	0.7
237.50555	0.3
258.05103	0.4
259.05853	0.5
271.33533	0.3
287.05487	100.0
288.05844	4.1
307.16656	0.4
400.82837	0.3
431.30246	0.5
449.10818	1.0
449.31119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03925	0.2
55.01858	0.3
55.05490	0.3
55.58307	0.2
56.46428	0.2
57.03420	0.4
61.02906	0.3
63.40419	0.2
65.03912	0.2
67.01844	0.6
67.05493	0.5
68.44900	0.2
68.99775	0.7
69.03428	1.2
69.07051	0.6
71.04961	0.4
71.58207	0.3
73.02899	0.2
79.05509	0.5
81.03394	0.7
81.07050	1.1
83.04943	0.3
83.08592	0.3
85.02898	2.0
86.09676	0.6
91.05431	0.4
93.07027	0.5
95.08581	0.8
97.02874	1.0
99.08022	0.3
105.07021	0.8
107.04941	0.6
107.08569	0.4
109.02842	0.7
109.10118	0.4
111.04419	0.4
114.58930	0.2
117.03474	0.2
117.07073	0.3
119.08580	0.5
120.08057	0.3
121.02858	0.5
121.10104	0.5
123.08121	0.2
123.69015	0.2
127.03909	0.6
129.06941	0.3
131.08533	0.4
133.06512	0.3
133.10121	0.3
135.04416	1.5
135.08020	0.3
135.11684	0.2
137.02315	0.5
137.06001	0.3
145.04909	0.3
145.10069	0.4
147.04366	0.5
149.02310	0.2
149.13240	0.3
153.01834	5.5
154.08823	0.2
155.07108	0.2
157.06422	0.3
161.02339	0.7
165.01703	0.3
171.02887	0.8
171.11682	0.3
177.09171	0.3
183.11723	0.3
183.13799	0.2
194.11043	0.3
241.04915	0.6
258.05475	0.3
269.04590	0.4
287.05496	100.0
288.05841	3.0
307.10330	0.2
334.73734	0.2
387.95789	0.3
449.10788	13.8
450.11237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.9
55.05504	14.9
56.05014	16.1
57.03421	6.5
58.06606	23.1
60.04507	4.1
61.02930	5.8
62.39751	4.1
67.05504	13.8
69.03424	27.4
69.07047	9.2
70.06586	11.7
71.04980	10.1
71.57718	8.7
74.06069	7.3
79.05473	11.8
79.47491	3.9
81.03411	14.6
81.07046	26.6
82.06564	12.6
83.04984	9.2
83.08609	11.8
83.41383	4.7
84.04478	12.2
84.08131	8.8
85.02912	41.9
86.06057	5.0
86.09709	7.2
87.04477	6.8
90.52473	3.7
91.05475	14.4
93.07018	21.1
94.06576	4.9
95.04967	23.9
95.08607	14.7
96.08128	9.5
97.02923	20.3
97.06539	6.7
97.10170	3.8
98.06046	11.2
98.09679	9.2
99.04436	13.2
100.07592	8.5
100.08290	4.4
105.07030	15.5
107.04964	5.5
107.08598	32.5
108.08112	10.8
109.02853	11.5
109.06505	17.1
109.10162	22.3
110.06025	11.7
110.09691	6.1
111.04441	4.8
119.08566	16.7
120.08096	4.3
121.10167	20.4
122.06059	6.5
122.09649	9.4
123.08050	8.7
123.11696	10.6
124.07597	9.7
124.11238	4.0
125.09584	9.6
126.05480	5.6
127.03870	8.0
131.08575	6.5
133.10121	16.7
135.08035	5.7
135.11684	6.1
137.09598	7.3
139.03871	5.1
140.07111	7.7
141.07037	4.0
141.88547	4.8
145.04932	4.5
145.10103	13.1
147.07930	3.8
147.11694	14.6
148.07536	9.0
148.11195	12.4
149.09569	14.7
151.11127	5.1
153.01886	6.5
153.09125	10.1
159.11737	5.6
161.13292	5.0
163.11154	10.4
165.12743	6.4
173.13290	11.9
175.11244	7.1
186.07623	11.1
191.14307	11.1
192.13867	5.1
197.88205	4.5
204.08673	29.9
207.13763	9.1
209.15314	8.0
225.14908	9.3
225.96642	4.6
232.16986	11.6
250.18010	38.2
251.16374	7.8
252.19507	5.6
268.19067	55.7
286.20120	47.7
287.05521	60.3
412.23022	4.5
430.19717	4.5
430.24442	53.8
448.25372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
57.45645	0.6
59.48859	0.7
61.02911	0.9
67.05506	0.9
68.99789	1.3
69.03419	3.3
70.06572	1.1
71.04975	0.8
71.35504	1.4
77.82256	0.6
79.05489	1.4
81.03410	1.7
81.07056	1.1
83.84865	0.6
85.02908	4.8
86.09706	0.9
91.05482	2.7
93.07059	1.6
95.08622	0.9
97.02882	2.2
99.04451	0.8
101.02300	0.7
105.03394	0.8
105.07046	3.3
107.04972	1.2
107.08601	0.6
109.02907	1.1
111.00767	0.8
117.06995	1.6
119.08587	1.3
120.08137	0.9
121.02863	4.0
121.06469	0.9
127.03920	1.8
129.06998	1.5
131.08585	3.8
133.02824	0.9
133.06526	1.1
133.10127	2.8
137.02351	1.0
137.05966	0.9
142.07788	0.8
143.08556	3.0
145.04883	0.7
145.06468	1.7
145.10202	3.3
147.03349	1.1
147.04414	9.2
147.08116	0.7
147.11656	1.0
149.09637	0.8
153.01814	5.7
154.56581	0.6
157.10115	2.8
159.08086	0.8
159.11684	15.1
161.09634	1.1
163.11197	0.6
165.01797	2.3
165.09204	0.7
169.10118	1.2
169.24721	0.7
171.11693	1.0
173.09599	4.2
175.11221	3.6
182.10069	0.6
183.02869	1.6
185.09621	1.9
187.11221	3.4
189.12749	0.9
191.10657	10.7
203.10712	3.6
205.12202	1.6
213.05455	2.2
215.10707	1.6
216.81602	0.6
221.11722	14.6
231.06638	1.1
233.11655	4.5
235.13321	1.3
251.12788	29.9
257.04434	0.7
258.05206	1.5
259.05994	0.9
269.13858	2.2
286.08112	1.0
287.05499	100.0
303.04947	2.3
352.55072	0.7
448.17856	1.0
448.23627	1.3
448.29086	1.7
449.10947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57264	3.4
55.01881	23.4
55.05513	48.0
57.03436	79.5
57.07085	18.0
63.66071	3.2
67.05503	41.0
69.07071	60.7
70.00360	12.6
70.00764	6.6
71.08621	12.4
79.05500	27.6
80.77679	3.9
81.07063	52.5
83.08611	41.1
85.06556	4.9
85.10209	4.4
91.05473	9.6
93.07050	40.5
95.08600	41.0
97.06533	5.1
97.10182	32.2
98.98466	88.3
105.07047	8.0
107.08589	21.7
109.10172	16.5
111.11703	6.4
113.00019	80.0
119.08537	8.4
121.10117	21.5
123.11726	9.1
125.19892	4.4
131.08609	4.9
133.10135	8.2
135.11729	13.0
136.99991	100.0
155.01053	69.0
159.11755	5.0
163.14842	4.4
169.02682	18.8
180.05287	3.2
187.03717	7.1
193.02635	15.4
211.03688	9.9
237.22150	15.7
243.21104	5.9
261.22198	12.6
311.25827	67.8
335.25824	52.3
447.25079	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67730	0.9
55.26826	1.0
56.05014	3.3
60.05643	2.2
65.03930	1.9
65.70631	1.1
68.05029	1.2
68.91238	1.0
68.99793	1.5
69.03416	2.8
70.06594	4.8
71.57137	1.5
72.08157	1.3
79.05479	1.8
81.03376	1.3
81.07025	1.7
81.82829	0.9
82.06583	2.1
83.04978	1.8
83.06107	2.5
84.08165	1.2
85.02905	2.5
86.09699	2.6
86.76788	0.8
94.06516	1.0
95.04968	1.0
95.06046	1.5
97.02893	2.2
97.07669	1.9
105.03387	3.5
106.06560	1.4
107.04953	2.4
109.02887	1.7
109.45654	1.1
111.04433	2.5
111.05579	7.4
113.07131	2.2
120.04453	19.0
121.02850	4.8
123.04449	1.1
123.05541	1.6
124.03979	1.1
124.07606	1.3
126.06626	14.2
127.03911	1.6
127.07395	1.7
128.07065	9.8
132.04449	30.7
134.06010	12.3
137.02397	1.2
137.04704	3.0
140.08199	1.9
147.04362	1.4
150.05432	1.6
151.06158	10.6
153.01834	5.1
154.08664	1.7
163.03882	4.7
164.07074	1.3
165.01855	1.7
168.08824	2.8
177.00703	1.6
183.02962	1.9
202.09758	20.6
213.05478	1.4
215.08400	1.2
216.11349	4.0
223.97743	1.4
230.09224	14.0
231.12411	1.6
232.10812	7.9
242.09270	4.3
257.10422	6.7
258.05200	1.6
259.11890	100.0
260.12180	2.7
269.08289	1.4
269.52481	1.1
277.12903	2.9
284.11459	3.2
287.05493	71.2
301.14066	12.9
302.12433	40.9
303.12762	1.6
319.15198	2.6
332.13593	1.5
360.16611	1.1
406.17310	15.6
426.02417	1.6
448.19403	94.9
449.19778	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.7
57.03424	2.3
57.07069	7.5
59.97523	1.7
67.05499	9.0
69.07059	6.5
69.90430	3.6
69.90846	5.4
71.08617	7.4
73.90971	1.7
79.05503	2.0
81.07046	7.7
82.11393	1.7
83.08601	2.9
85.10169	3.5
91.05404	2.1
93.07055	2.7
95.08571	5.2
97.10175	1.8
109.10154	4.6
110.27198	1.5
121.10112	2.5
126.66908	1.6
129.02802	1.5
134.98183	21.5
137.09546	2.1
149.02313	2.4
149.09624	2.1
160.08304	1.7
168.78265	2.0
209.01836	3.0
295.14539	1.7
313.27374	13.9
314.27472	2.4
353.26590	2.7
366.56915	2.0
429.23840	2.8
429.37192	2.8
447.24802	100.0
448.25195	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
55.01871	19.7
55.05262	4.4
55.05508	52.3
57.03434	63.9
57.07057	12.0
67.05504	47.4
69.00299	3.1
69.07067	52.3
69.33381	11.4
69.33805	21.0
71.08630	6.8
79.05488	34.6
81.07052	57.4
82.81936	2.9
83.08623	34.6
91.05480	13.2
93.07041	41.0
95.08609	45.4
97.06538	4.4
97.10161	25.3
98.98463	73.2
99.04380	3.4
105.06992	9.4
107.08579	20.2
109.10168	18.2
111.08102	4.8
111.11683	5.9
113.00010	100.0
116.99506	3.8
119.08578	8.4
121.10133	23.0
123.11736	5.8
131.00912	3.2
131.08575	8.9
133.10115	5.9
135.11687	12.0
136.99985	74.3
137.13271	3.9
145.10068	6.0
147.11674	5.2
149.13260	7.2
155.01039	66.2
159.11758	3.1
161.13298	3.6
163.14792	4.3
169.02647	16.9
187.03667	10.8
193.02734	15.3
200.86485	3.5
203.51949	3.4
211.03667	11.8
237.22145	15.8
243.21028	5.5
261.22079	16.4
293.24481	3.8
311.25787	60.9
317.24619	4.5
335.25812	71.6
378.15765	3.0
414.35883	3.8
447.25024	81.2
449.54102	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01873	5.0
55.05264	1.1
55.05510	12.6
57.03436	21.0
57.07064	1.8
59.04992	1.6
61.02924	64.7
65.03950	1.6
66.68309	0.7
67.05502	31.3
69.03425	33.0
69.07062	15.3
70.26456	2.2
70.66343	0.7
71.01340	4.2
71.04989	8.5
73.02914	30.6
75.04482	1.7
79.05491	24.4
81.03416	26.0
81.07053	100.0
83.04977	9.4
83.08621	10.2
85.02901	60.0
85.03430	1.9
85.06533	6.2
85.41875	0.7
87.04463	3.4
91.03949	31.1
91.05466	27.0
91.06007	1.2
93.07040	18.6
95.04958	5.3
95.08600	20.4
97.02887	49.2
97.06517	8.8
97.07074	1.0
97.10172	3.1
99.00848	1.2
99.04446	11.8
99.08067	5.3
101.02387	12.6
103.03941	5.4
103.05542	0.8
105.07023	49.4
107.04948	1.8
107.08582	16.6
109.02871	16.4
109.06508	7.8
109.10137	3.3
111.04452	3.2
111.08061	0.9
113.06062	1.0
115.03912	3.8
115.07583	1.2
117.05491	1.7
117.07026	1.1
119.08572	38.4
121.06528	1.3
121.10135	29.5
123.04463	1.1
123.08053	5.6
123.11704	36.5
124.83593	0.7
125.09653	2.5
127.03905	22.9
127.07540	3.7
129.05479	4.1
129.07002	2.1
131.08542	2.4
133.10146	4.7
135.08043	1.1
135.11630	1.4
137.05957	5.4
137.09586	1.6
137.13251	3.1
139.11192	1.1
141.09070	1.6
145.04955	9.5
145.10112	1.6
147.11679	97.7
148.12035	1.5
149.02412	1.2
149.09642	1.9
149.13417	0.9
155.07062	0.9
157.10167	3.3
159.06575	2.1
159.11678	0.9
163.03920	2.1
163.07542	1.2
163.14925	1.0
165.12749	63.2
166.13077	0.8
169.10046	0.9
171.06567	1.0
171.08066	1.0
173.13213	0.8
175.11237	3.8
177.09094	2.9
177.10484	0.7
182.57240	0.8
183.06557	6.5
183.13789	14.0
191.10646	1.5
193.12177	5.8
201.07568	4.6
211.13257	1.2
219.08690	1.0
229.14322	23.6
251.10698	0.9
267.10098	1.2
267.15909	25.0
268.16193	1.1
280.84723	0.8
285.11392	5.8
285.16943	60.9
286.17279	1.0
294.80200	0.7
309.17099	3.5
313.16510	2.8
327.05060	1.1
327.18063	3.1
337.16467	0.8
339.18262	1.0
351.18106	1.3
355.15091	1.0
363.09531	0.8
393.19305	0.9
411.20242	3.1
429.21335	3.7
447.22076	8.1
447.27704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47353	2.1
53.03933	6.8
55.01868	8.7
55.05508	14.2
57.03435	24.9
61.02924	56.2
64.14930	2.3
67.05501	30.0
69.03423	36.1
69.07072	16.1
69.39687	20.7
71.01332	5.6
71.04993	7.4
73.02915	28.0
79.05494	22.1
81.03426	26.7
81.07057	89.9
83.01380	2.4
83.05000	14.5
83.08621	8.9
85.02904	62.2
85.06546	9.5
86.09731	4.3
87.00804	2.3
87.04463	2.4
91.03949	29.2
91.05465	34.2
93.07026	19.1
95.04972	9.0
95.08604	24.1
96.87585	2.2
97.02892	46.9
97.06548	8.4
97.10186	3.8
99.04459	13.2
99.08095	6.7
101.02385	18.9
103.03942	7.1
105.07024	47.4
107.04970	7.1
107.08585	19.2
109.02882	23.5
109.06507	9.6
109.10150	6.3
111.04430	3.6
115.03931	3.9
119.08582	37.5
121.10139	27.4
123.08081	6.9
123.11712	36.0
125.09609	3.3
127.03912	26.7
127.07545	2.6
129.05516	3.4
129.06912	3.7
131.04947	7.8
131.08574	5.1
133.10139	7.5
135.08076	4.1
135.11708	2.6
135.69244	1.9
137.05975	5.6
137.13260	5.4
141.09140	3.7
143.08571	2.2
145.04964	7.7
145.10135	5.4
147.08080	2.5
147.11685	100.0
148.12123	2.6
149.09543	3.9
149.13171	2.5
151.07521	4.3
153.06900	3.0
157.06476	2.2
157.10103	3.0
159.06529	4.0
159.11670	2.9
165.05513	2.5
165.09116	2.4
165.12749	68.4
166.13240	2.2
169.09995	2.1
171.06581	2.2
171.11655	2.6
175.11192	5.8
177.09132	2.6
181.06503	2.9
183.06526	8.1
183.13820	9.7
193.12256	6.3
199.07553	6.9
199.14972	2.4
199.16922	3.2
201.07594	5.3
211.13278	2.7
225.09041	2.5
229.14359	21.6
239.07098	2.6
255.06551	3.0
267.10150	15.3
267.15973	23.0
268.07346	8.3
285.11389	8.8
285.16937	66.2
303.04993	2.8
313.16452	5.7
355.27899	2.7
411.20184	3.6
447.22223	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.2
57.03423	9.0
58.42157	7.3
60.04523	13.9
61.02919	16.2
67.05496	14.0
69.03433	39.0
69.07065	9.1
70.06580	22.7
70.89380	22.3
71.04986	12.2
79.05494	18.2
81.03403	10.3
81.07047	18.6
83.04981	22.4
83.08621	8.5
84.04530	13.5
84.08134	13.8
85.02907	53.5
86.06053	11.2
86.09705	71.5
91.05371	8.6
91.05841	11.0
93.07043	20.3
95.04960	20.4
95.08600	24.2
96.08120	19.9
97.02866	17.1
97.06520	10.6
99.04447	19.3
100.07575	8.7
103.05462	25.0
105.07014	20.6
105.57287	7.9
107.08588	18.0
107.92535	7.1
108.08089	10.4
109.02882	10.9
109.06557	14.1
109.10142	17.9
112.07659	8.7
119.08577	19.4
120.08083	7.0
121.06446	10.3
121.10118	32.0
122.09713	9.5
123.08047	27.5
124.07602	47.3
124.11241	14.3
127.03938	12.6
131.04904	50.6
133.10133	13.4
135.08063	14.5
135.11682	9.0
137.09596	9.6
142.12263	10.8
143.11778	42.1
145.04945	11.7
145.10165	11.5
147.08075	8.5
147.11754	9.7
149.09639	14.9
163.07487	35.3
163.11163	12.7
167.05547	8.5
167.10651	21.5
171.11407	10.2
172.50793	7.1
173.12947	9.7
174.09099	14.8
177.12747	12.7
189.12698	15.6
192.10283	9.7
192.13841	7.5
193.19551	6.7
196.13292	18.1
205.12170	9.2
206.15402	8.6
207.13797	6.9
228.13327	6.9
230.15396	9.1
240.15846	10.8
248.16530	36.4
266.17459	100.0
266.20557	11.4
267.86752	7.2
274.27780	8.7
284.18518	92.8
377.06857	9.7
405.05902	19.6
428.22623	10.7
446.18448	7.6
446.23474	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41805	2.4
53.03932	8.0
55.01857	7.6
55.03088	2.5
55.05509	21.3
57.03434	32.3
57.18521	2.8
61.02924	77.9
63.45166	2.6
63.58607	2.5
63.86633	2.5
65.99461	2.9
67.05500	39.1
69.03423	39.5
69.07052	11.6
70.06588	2.9
71.01346	5.2
71.04979	9.3
71.57347	5.4
73.02910	38.0
74.48904	3.1
79.05486	40.4
81.03415	93.6
81.07043	41.8
83.04982	29.3
83.08609	24.5
85.02898	100.0
85.06537	5.4
86.09697	3.9
87.04469	3.3
91.03954	41.9
91.05465	62.3
93.07031	28.2
95.04964	34.5
95.08599	18.6
97.02885	65.1
97.06546	5.4
97.10156	4.5
97.90741	3.6
99.04439	14.7
101.02370	12.9
103.03933	7.2
105.07022	50.3
107.04959	15.0
107.08589	10.4
109.02867	19.4
109.06518	8.1
111.04426	6.9
111.08086	17.9
115.03915	4.9
117.07017	3.9
118.01192	2.7
119.08586	30.9
121.10145	13.2
123.08073	7.0
127.03910	28.9
129.05493	6.9
129.06981	15.7
131.08571	20.1
132.27170	3.0
133.06506	4.2
133.10144	24.1
142.07782	4.2
145.04971	10.8
145.10133	5.0
147.11702	25.2
149.09619	8.0
155.71921	3.1
157.08940	4.9
157.10120	29.8
163.11215	3.3
165.12700	8.9
175.11174	28.5
193.12238	96.6
211.13277	90.4
212.07013	3.6
260.09253	6.2
267.15857	17.1
268.07251	5.4
275.89688	2.7
278.10202	6.2
285.16974	63.7
404.32263	3.0
405.39566	3.1
447.22250	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.05500	11.5
57.03434	4.9
57.07082	4.5
58.06578	5.1
60.04517	7.8
61.02921	4.3
67.05492	10.4
69.03432	22.1
69.07063	6.0
70.06590	23.1
71.04990	8.7
71.58218	7.0
72.08143	12.5
76.25837	4.0
79.05474	9.4
81.03410	15.6
81.07041	13.5
82.06585	6.4
83.04990	4.5
84.08139	9.9
85.02905	36.3
85.06496	4.5
86.09708	55.5
87.30690	4.0
91.05400	5.7
93.07041	13.8
95.04974	21.7
95.08600	11.9
96.08131	7.6
97.02884	17.6
97.06509	9.6
98.06030	5.4
99.04429	10.7
103.05452	44.5
104.18891	4.5
105.07027	14.7
105.38889	5.3
107.08598	12.8
108.08056	6.9
109.02863	7.6
109.06535	8.3
109.10144	9.4
111.08040	4.9
119.08561	11.9
120.08091	4.6
121.02857	5.5
121.06542	4.4
121.10147	11.6
123.04376	7.6
123.08037	10.6
123.11690	4.7
124.07581	19.1
124.11181	4.7
125.09627	7.0
127.03918	12.4
131.04025	8.5
131.04929	100.0
131.08574	4.7
133.10150	8.3
134.09581	5.5
135.08028	7.3
135.11728	5.9
137.09540	5.4
142.12268	9.2
143.11795	13.9
145.05019	4.9
145.10120	11.2
147.11661	7.8
148.11201	5.7
149.09634	14.3
153.09158	5.4
159.11681	10.1
161.13255	5.8
163.07553	45.9
165.09129	4.7
167.10667	8.5
171.11490	10.6
185.12881	5.8
189.12729	31.5
196.13416	5.3
201.78619	4.4
205.12282	4.7
206.15460	7.9
207.13751	8.3
222.15089	4.8
226.84764	4.4
248.16400	23.1
260.04968	4.6
266.17535	53.0
266.20587	8.8
284.18610	50.8
284.22040	7.5
402.17899	7.3
428.22449	8.5
446.23312	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01859	1.2
55.05503	3.0
57.07047	1.3
65.03936	1.4
65.63453	1.0
66.58437	1.1
67.04246	2.9
67.05495	3.1
69.03411	1.5
69.07066	16.4
70.06585	1.8
70.07410	0.9
71.58462	1.3
71.58890	1.5
79.05492	3.8
81.03410	3.4
81.07055	4.7
82.06578	17.2
83.05019	1.3
83.08646	1.2
84.08147	4.6
84.47760	1.0
85.02917	1.9
86.09702	100.0
87.10044	1.2
91.05406	5.4
92.05838	1.4
93.07045	3.5
94.06572	1.6
95.04979	2.0
95.08600	2.3
96.08119	3.4
97.02886	2.0
97.06542	2.4
97.10226	1.2
100.07584	1.8
105.07041	1.9
107.04901	0.9
107.08618	2.6
108.08127	1.8
110.06036	12.3
119.04957	2.9
119.08607	1.9
121.06516	2.4
121.10147	1.6
123.04407	2.0
123.08106	1.1
124.07581	3.3
127.08694	5.4
129.06999	2.7
131.04964	1.6
131.08594	3.1
133.10168	1.8
135.07953	1.2
135.11671	1.1
136.07574	6.6
137.05986	3.0
139.08638	5.8
143.08562	1.3
145.06470	1.4
145.10043	2.9
147.04417	3.8
148.04758	2.0
149.05994	8.5
150.12770	8.2
155.08537	1.4
157.06520	4.1
157.10074	1.4
163.11165	1.3
165.05478	3.2
165.06844	1.2
167.07089	1.6
171.08072	1.7
172.08807	14.3
173.09628	5.3
175.07442	1.6
178.12195	6.4
179.07027	4.9
180.07341	4.0
182.08107	2.9
185.09633	3.7
187.07518	2.0
193.12294	2.1
195.14912	34.6
196.15320	1.3
197.08092	2.5
198.08449	2.3
198.12033	1.4
200.10687	9.6
201.09135	1.0
202.12300	3.0
219.14952	2.5
223.14410	2.0
227.12788	1.1
228.13136	1.3
229.08617	6.9
231.10135	2.1
237.15929	22.6
246.11249	56.0
247.11482	1.2
265.15530	3.5
267.15851	1.3
285.11359	1.5
289.88605	1.2
292.11810	8.2
305.15338	1.3
320.30341	1.2
332.70718	1.0
333.14444	13.9
359.19601	16.9
400.22433	1.9
404.21744	3.8
405.20218	4.3
418.23328	1.7
446.22775	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	5.1
66.54800	4.5
67.05511	7.8
69.07056	17.1
77.24844	4.0
79.65648	3.8
80.71796	4.5
83.08611	8.7
95.08607	10.5
97.10155	7.6
98.20778	9.1
119.08693	5.0
137.09613	11.6
149.09648	8.9
165.09120	100.0
165.60397	4.5
191.10660	4.7
269.66772	4.2
286.06339	4.3
365.37415	4.4
427.35669	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03933	0.8
55.01855	0.7
55.05498	0.5
56.05027	0.5
59.04979	1.5
61.02908	0.5
61.23054	0.5
65.25279	0.4
67.05484	1.0
68.05005	0.5
69.03439	2.8
70.06591	2.4
71.04955	0.6
71.58283	0.9
72.08139	0.5
78.03442	1.5
78.76130	0.4
79.05472	0.7
80.05009	1.0
81.03416	3.7
81.07043	1.8
84.08138	0.4
85.02912	4.2
85.06530	1.3
86.09688	1.6
87.00832	0.5
89.03896	0.9
89.06021	1.4
91.05432	0.4
91.05831	0.7
93.07047	1.0
94.87856	0.4
95.04964	0.6
95.08592	1.2
96.04457	1.7
97.02905	2.2
97.03469	0.4
98.06023	0.6
99.04445	0.7
102.40192	0.4
103.07567	1.5
105.03387	1.1
105.07004	0.6
106.02909	8.8
107.04976	0.5
107.08570	0.8
109.02878	2.8
109.10103	0.5
116.07012	0.4
117.07011	0.4
119.08546	0.9
119.89481	0.5
123.04432	12.9
124.03954	36.0
127.03901	1.8
133.02858	10.4
133.08601	0.8
133.53140	0.4
134.08107	1.4
134.10428	0.4
135.04382	2.2
138.09064	0.4
143.08594	0.5
145.10168	1.1
147.10104	0.6
149.02319	2.8
151.03912	4.9
163.03929	2.1
163.11205	0.6
179.03394	100.0
180.03703	1.6
181.04942	1.3
197.11708	1.5
198.12024	2.3
224.56903	0.4
227.25333	0.4
248.20001	0.6
250.07092	1.9
250.25317	0.5
252.23221	2.1
253.23601	0.5
254.81516	0.5
268.08157	21.8
270.24188	0.9
271.24731	0.6
276.23264	0.6
301.11929	0.5
303.04977	0.9
312.67838	0.6
315.04956	0.4
330.25763	0.4
341.06567	0.5
346.04456	0.4
409.30914	0.5
427.16226	0.7
427.31772	0.5
445.32858	3.7
446.10815	41.5
446.27432	1.8
446.32947	2.6
447.11023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25749	4.0
55.05502	19.7
56.33259	4.1
57.07071	50.5
58.43094	4.5
60.90763	5.1
62.14806	5.0
67.05501	16.4
67.60322	4.5
69.03439	7.6
69.07063	37.4
71.08614	29.8
71.59161	9.4
79.05486	13.5
81.07047	57.2
83.04982	4.7
83.08616	28.8
85.10181	17.2
91.05439	11.7
93.07048	53.7
95.04950	10.6
95.08611	50.3
97.10150	12.7
105.07029	19.5
107.08574	40.6
109.06424	4.9
109.10176	26.4
111.04434	100.0
111.11705	9.7
113.00079	5.3
113.02370	7.7
119.08583	16.1
121.10149	70.5
122.55771	4.9
123.04433	9.9
123.11700	14.9
131.08505	7.4
133.10100	7.8
135.11728	13.2
137.13213	5.3
145.10121	8.4
149.13237	26.1
153.03249	6.1
153.05495	8.1
159.11635	5.9
161.09677	8.0
163.14839	7.2
167.05528	5.4
169.02586	6.2
171.11412	5.5
181.04895	5.9
185.09602	8.6
189.09151	8.2
203.10699	18.0
275.27365	35.1
338.92770	5.0
385.31055	7.1
427.31726	11.9
445.28766	9.1
445.34119	9.8
453.02734	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	25.2
57.07072	40.9
63.05813	4.1
65.78545	4.2
67.05494	18.9
69.03423	5.0
69.07070	31.7
71.04308	10.3
71.08617	36.1
73.04764	10.0
79.05482	16.3
81.07058	69.3
83.08618	30.2
84.26855	4.6
85.06504	4.2
85.10186	15.3
88.02210	10.0
91.05851	59.4
93.07040	52.2
95.04954	7.6
95.08619	44.3
97.10162	14.9
105.07048	13.2
107.08605	39.6
109.10162	25.2
111.04449	100.0
113.00012	7.9
113.02383	9.8
114.07352	6.8
117.07029	6.4
119.08587	14.0
121.06557	5.4
121.10143	57.0
123.04427	7.6
123.11677	13.8
133.10100	14.2
135.11711	10.8
137.05965	5.6
147.11597	6.4
149.04482	6.3
149.13249	29.3
150.30676	5.3
153.05438	10.1
159.07999	7.0
161.09633	5.8
163.14795	14.6
165.09102	6.7
167.05550	25.2
169.02579	12.3
171.06635	4.6
185.13176	5.9
189.09047	7.0
203.10713	18.4
225.04335	9.8
275.27310	32.7
342.99908	6.0
354.33939	5.3
359.02899	37.6
360.02838	7.8
427.31931	10.2
445.28659	10.5
445.33575	17.2
453.14963	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01868	5.9
55.05504	60.4
57.03434	32.9
57.07072	34.9
59.07367	2.1
59.34772	2.2
67.05500	75.3
69.03410	3.3
69.07063	74.3
71.04973	5.2
71.08624	25.5
73.06572	3.2
75.04472	7.8
75.87772	2.2
79.05485	33.8
81.07050	94.2
83.04983	8.1
83.08615	57.8
83.09112	2.3
85.06539	5.8
85.10163	13.5
91.05494	8.9
93.07037	44.8
95.08600	100.0
97.06519	20.7
97.10165	34.4
97.48683	2.3
99.08092	2.9
101.06008	3.3
105.07027	4.6
107.08577	32.9
109.10149	38.3
111.07388	2.7
111.08048	14.1
111.11714	9.3
113.00006	63.5
113.13091	1.9
115.07576	3.2
119.08584	6.9
121.10132	41.9
123.11686	18.1
125.09621	9.7
131.07013	2.8
131.08533	2.3
133.10133	5.2
135.11679	29.5
137.13271	8.3
139.11182	15.3
143.10687	4.4
145.10190	2.6
147.11653	4.0
149.13254	19.4
151.14807	4.2
153.12743	10.6
161.13237	6.2
163.14812	9.9
165.12755	3.6
165.68449	2.0
167.14333	6.3
169.02600	42.4
171.13768	2.6
177.16341	10.2
191.18053	3.5
195.17513	5.1
213.18478	2.6
233.22623	19.3
251.23674	25.0
261.22208	9.8
279.23148	21.2
297.24411	3.8
315.25284	90.6
316.05441	2.2
316.25528	3.6
353.26831	35.6
359.03256	2.2
365.58719	2.1
369.17911	2.1
371.27905	41.9
385.79538	2.1
427.30518	6.2
445.31647	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
55.01860	6.2
55.05512	28.5
57.03420	4.6
57.07059	2.5
65.03929	6.8
67.05505	71.2
69.07068	24.0
70.72717	2.2
71.04996	5.1
71.58213	4.4
73.69465	1.9
79.05492	64.1
81.03391	2.1
81.07056	70.7
83.04978	6.0
83.08607	12.3
85.06527	3.6
91.05447	79.8
93.07048	56.3
95.04961	14.0
95.08608	48.7
97.06539	6.0
97.10152	5.7
103.05460	4.9
105.07030	73.7
106.75598	2.1
107.04952	8.1
107.08579	24.5
109.06515	6.6
109.10137	17.3
111.08085	3.4
113.00017	7.5
115.05446	6.4
117.07018	36.6
119.04946	2.0
119.08583	47.8
121.06492	6.2
121.10156	17.7
123.08051	6.2
123.11737	3.0
128.06235	6.5
129.06996	28.6
130.07800	3.5
131.08566	64.2
133.06508	6.1
133.10095	24.1
135.08038	6.0
135.11650	10.3
137.09550	3.3
141.07014	8.5
142.07782	3.1
143.08562	25.8
145.06453	4.6
145.10126	33.0
147.08058	6.5
147.11725	10.5
149.09605	3.2
149.13327	4.6
151.07574	6.1
155.07436	2.3
155.08498	12.6
157.10141	17.5
159.08081	2.9
159.11694	17.2
161.05902	2.2
161.09656	4.8
161.13255	5.8
163.14882	3.2
167.05533	4.1
167.08499	4.1
169.02708	2.5
169.10117	12.8
171.11667	13.1
173.09740	2.3
173.13249	6.3
175.11220	2.9
177.12843	2.5
181.10168	6.9
183.11691	8.9
185.13284	9.1
187.11113	2.9
187.14780	6.3
195.11690	7.0
197.13237	5.6
199.14793	3.7
201.12697	2.5
201.38359	2.1
209.13264	4.9
211.14903	5.0
213.16309	3.1
215.14265	2.2
223.14943	3.2
227.14395	3.9
229.15962	2.2
233.15475	2.9
241.19563	2.5
243.17319	2.1
245.15240	2.9
247.17000	4.8
259.20663	3.0
261.18503	4.4
273.18436	3.4
275.20532	2.2
282.82083	2.0
325.25235	5.7
333.24213	5.3
335.23752	7.4
343.26288	12.5
353.24771	23.5
359.02707	6.4
371.25745	24.4
389.26794	25.2
395.15060	5.2
427.28537	3.9
445.29462	100.0
446.29880	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
53.57191	2.4
55.01862	5.2
55.05505	27.3
57.03420	8.0
58.52438	2.3
65.03928	4.1
67.05500	70.0
69.07062	19.8
71.04976	4.4
71.58115	4.2
72.08073	2.2
79.05489	65.2
81.06583	3.8
81.07048	60.4
83.04967	6.9
83.08607	12.1
85.06520	3.4
91.05454	85.3
93.07038	60.3
95.04963	14.6
95.08595	39.2
97.06517	9.0
97.10179	6.4
99.71476	2.4
103.05465	3.0
105.07018	82.5
107.04977	10.9
107.08587	23.6
109.06493	9.2
109.10149	20.6
115.05457	6.9
116.06246	2.5
117.07007	42.6
119.08564	48.3
121.06500	7.1
121.10150	21.1
123.08027	5.8
128.06186	5.7
129.06990	29.6
131.08557	63.4
133.06465	4.3
133.10117	25.4
135.08101	5.0
135.11673	10.6
137.09645	2.4
141.06973	8.5
142.07765	4.9
143.08524	27.0
145.06403	3.5
145.10120	34.9
147.08003	6.7
147.11658	11.7
149.09589	6.1
149.13251	2.7
149.16980	2.3
151.11171	2.8
153.06915	3.0
155.08569	19.0
157.10083	18.5
159.08052	3.3
159.11691	15.6
161.09628	2.8
161.13177	2.5
163.11154	2.9
163.14795	2.3
167.05577	3.2
167.08490	5.6
169.10103	9.8
171.08064	2.7
171.11673	10.1
173.09529	2.3
173.13232	6.4
175.11151	6.7
181.10118	7.0
183.11665	8.1
185.09596	3.3
185.13255	8.5
187.14832	4.7
188.68468	2.6
195.11655	8.2
197.13208	9.6
199.14752	4.8
209.13252	4.5
211.14757	4.3
213.16277	3.4
221.13318	3.0
223.14734	3.7
225.16414	3.8
229.15855	3.6
241.15855	5.4
245.15411	3.4
247.16843	5.3
251.17816	2.6
259.16885	3.1
261.18597	5.0
273.18286	4.3
274.99487	2.3
285.18439	2.4
325.25153	6.1
335.23587	8.6
343.26260	13.7
353.24692	26.4
355.15833	5.2
359.02869	6.1
371.25702	26.7
389.26807	20.2
427.28149	3.5
445.29361	100.0
446.29825	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12220	2.1
52.51197	2.0
53.03942	5.0
55.01856	4.2
55.05254	3.1
55.05505	25.8
57.03421	9.1
57.07048	2.3
59.03652	2.4
65.03933	2.8
67.05502	64.7
69.07066	23.9
69.96919	13.0
71.04990	3.3
76.70329	2.1
79.05062	4.3
79.05494	51.4
81.03419	2.8
81.07056	60.9
83.04968	5.9
83.08607	9.6
85.06535	3.2
91.05461	65.6
92.05781	2.5
93.06474	3.5
93.07047	45.0
95.04962	12.3
95.08602	39.0
97.06535	7.1
97.10158	4.6
98.21500	3.1
98.98431	2.5
105.07033	66.3
106.07355	3.2
107.04966	8.2
107.08597	21.8
109.06485	5.3
109.10155	13.9
111.08076	4.8
113.00003	26.1
115.05453	5.8
117.07031	30.4
119.08585	33.2
121.06525	3.0
121.10172	16.9
123.08070	5.6
123.11742	3.0
128.06224	4.8
129.07004	23.2
130.07840	2.9
131.08569	48.6
133.06514	4.5
133.10124	20.3
135.08044	5.5
135.11690	7.5
137.09645	4.2
141.07040	7.0
142.07767	3.1
143.08556	27.0
145.06438	4.6
145.10121	29.7
147.08083	4.4
147.11655	5.4
149.09587	2.9
149.18192	2.3
155.08578	10.1
157.10103	19.6
159.11726	12.5
161.09682	4.7
161.13243	4.2
163.11154	3.5
167.05591	2.2
167.08580	5.6
169.02589	18.8
169.10144	9.8
171.11665	10.7
173.13266	6.2
175.11203	2.7
181.10173	3.5
183.11682	9.1
185.13295	8.4
187.11197	3.5
187.14813	5.4
195.11676	5.6
195.41960	2.1
197.13293	6.1
199.14786	3.3
209.13303	4.9
211.14793	5.0
215.14290	5.8
223.14911	7.7
225.16479	3.6
233.15251	3.8
241.19443	2.9
245.04628	2.2
247.16870	3.2
255.17468	3.0
261.18433	3.9
273.18533	4.6
308.64706	2.6
325.25311	5.5
335.23703	5.7
343.26343	4.2
353.24725	20.5
359.02975	5.1
371.25793	25.1
389.26892	20.5
427.28348	5.2
445.29465	100.0
446.29852	5.5
468.67679	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01865	1.1
55.05510	1.1
57.03425	1.7
59.05001	0.9
61.02920	1.4
67.05481	2.1
68.05021	0.6
69.03428	9.2
69.07053	1.6
70.06579	1.9
70.14196	1.2
70.14590	1.4
70.42122	0.5
71.04986	0.8
72.08131	2.2
73.02888	0.5
73.04749	0.7
79.05485	2.6
81.03417	5.8
81.07062	3.4
83.04987	0.6
84.08137	0.6
85.02905	15.8
85.06534	1.0
86.09697	5.9
87.00840	5.0
91.05471	3.5
93.07043	8.1
95.04951	1.8
95.08586	1.9
97.02877	4.7
98.06005	0.8
99.04430	3.2
105.01862	3.7
105.07030	8.4
107.07867	1.0
107.08589	18.9
109.02881	6.5
109.06515	1.8
109.10130	2.0
111.08035	0.8
115.03955	0.5
116.07055	0.6
119.04933	0.8
119.08562	2.6
121.02890	1.3
121.06491	2.4
121.10114	1.3
123.04388	0.9
123.11657	0.9
125.05963	1.2
127.03901	9.7
127.82694	0.6
131.08568	1.3
133.10129	19.7
134.08130	1.8
135.10690	1.1
135.11690	18.3
135.12712	0.9
137.02611	0.6
137.05954	2.0
137.09576	2.0
143.08556	0.7
145.04933	1.6
148.74907	0.6
151.11159	1.1
157.13354	0.9
159.02837	1.1
161.05974	0.6
161.09613	10.6
167.05556	1.2
179.10666	33.0
185.16443	0.7
197.11723	100.0
198.12080	2.3
213.04010	0.8
231.05029	1.2
233.14781	0.7
238.14737	0.7
252.23192	1.7
276.23190	0.7
359.02786	1.1
409.30765	1.1
427.31595	2.5
445.24432	1.1
445.32642	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01865	2.0
55.93687	1.1
57.03409	1.7
57.94899	1.0
59.04987	1.4
67.05488	2.4
69.03432	8.9
69.07056	1.2
69.58107	1.1
70.06586	3.0
71.57739	1.9
73.04758	1.3
78.03492	1.3
79.05486	4.4
81.03405	6.6
81.07064	4.6
85.02907	17.3
85.06531	4.7
86.09709	5.7
87.00819	5.1
91.05408	2.1
91.05847	2.1
93.07032	8.0
95.04969	1.8
95.08581	1.7
96.20044	1.2
97.02873	6.9
99.04449	2.8
105.01870	4.4
105.07043	9.8
106.02934	3.1
107.08594	20.1
109.02881	4.5
109.06516	2.4
109.10142	2.1
119.08555	2.9
121.06550	2.3
121.10146	1.4
123.04446	3.9
124.03947	14.0
127.03915	9.7
127.56962	1.3
131.08612	1.8
133.02853	4.4
133.10129	17.3
134.08159	2.0
135.11676	17.9
137.05890	1.2
137.09615	2.7
145.04953	2.4
145.10161	1.2
151.03923	3.0
151.11159	1.5
157.59480	1.3
159.02896	1.8
161.09621	9.4
167.05606	1.7
179.03391	39.9
179.10667	30.5
197.11725	100.0
198.12090	2.2
252.23308	4.4
265.18033	1.5
268.08139	8.2
270.24359	2.0
303.05118	2.6
359.02701	2.6
445.32727	11.7
446.10849	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01863	2.5
55.05502	1.2
57.03425	2.0
61.02919	1.8
63.92437	0.6
67.05486	2.5
68.05017	1.0
69.03428	11.0
69.07057	1.4
70.06570	1.2
71.04973	1.3
71.57381	0.8
72.08148	1.1
73.02913	1.6
73.04752	0.9
74.06050	0.7
79.05482	2.5
81.03413	6.1
81.07047	3.7
81.79932	0.7
84.08147	0.7
85.02431	1.2
85.02899	15.5
85.06535	3.5
86.09705	4.0
87.00832	4.0
91.05461	3.1
91.05900	1.2
93.07034	6.5
95.04954	1.9
95.08604	3.3
97.02879	5.6
97.06516	0.8
98.06042	1.1
98.09721	0.6
99.04446	2.7
105.01860	2.7
105.07027	6.5
107.04941	0.7
107.08590	31.2
109.02866	8.1
109.06499	1.7
109.10143	2.1
116.07076	1.0
117.07014	0.7
119.04817	0.9
119.08575	5.6
121.02835	3.1
121.06472	1.9
121.10162	5.6
123.04450	1.0
123.08072	1.4
123.11697	0.9
127.03912	10.2
129.01805	0.9
131.08536	1.3
133.10118	14.6
134.08096	2.5
135.08067	0.8
135.11661	1.8
137.05975	1.4
137.09586	1.9
139.07513	1.4
143.08566	1.1
145.04927	2.6
145.10092	1.4
147.02826	0.7
147.04378	0.9
149.05928	1.0
149.09590	2.4
151.07509	0.8
151.11162	6.2
155.06076	0.9
159.02872	2.5
161.09596	5.2
163.03723	0.9
163.11154	1.0
167.05518	1.5
167.10655	10.2
169.12315	0.8
179.03358	0.6
179.05873	0.6
179.10666	14.2
195.05438	0.7
197.11720	100.0
198.05563	0.7
198.12013	1.0
213.06645	0.8
225.06657	1.2
231.04915	2.1
247.16887	1.0
252.23158	3.6
265.17981	1.9
267.07733	0.9
270.24216	2.2
271.07062	0.7
276.23251	1.5
280.73904	0.6
281.57648	0.7
283.09500	1.0
295.06979	1.1
313.08136	1.6
342.99631	0.9
359.02902	1.8
377.01965	1.0
409.30264	0.9
427.31815	1.3
445.13147	1.0
445.16754	1.0
445.32861	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	4.3
67.05495	3.3
69.03420	6.2
70.06589	6.0
70.12296	2.7
71.57258	5.6
73.04746	13.7
81.03387	3.3
84.04484	4.3
85.02881	7.7
85.06548	4.8
91.05795	100.0
93.03664	3.6
95.04948	2.9
97.02879	11.9
98.97566	6.7
109.06833	2.8
111.04445	4.9
114.07358	5.0
116.98606	9.9
121.02856	39.7
125.98128	2.6
128.98592	2.8
130.05048	3.3
134.99641	7.6
135.04369	3.6
135.41440	2.9
136.06158	8.5
137.04590	6.2
139.03882	3.4
146.99591	5.6
163.03906	19.0
167.05559	35.6
167.06847	5.2
204.07126	2.7
219.01740	4.8
225.04279	12.5
227.02155	4.0
235.00650	3.3
237.02832	10.1
253.01688	4.2
283.07776	3.2
325.05865	5.5
342.99591	10.9
359.02856	51.3
380.89893	3.4
445.11035	21.9
445.20236	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12872	6.8
60.01960	6.9
68.90344	7.5
69.22794	6.1
69.27371	67.9
70.06595	11.9
85.02892	9.6
86.06085	16.9
98.97588	7.1
141.00917	7.9
173.09181	8.2
179.44601	6.8
445.10977	100.0
445.18112	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	34.6
57.03429	10.7
57.07059	8.0
59.60885	7.6
67.05508	77.2
69.03416	12.1
69.07066	34.0
69.85374	32.1
69.85781	15.9
79.05480	47.5
81.03429	13.8
81.07059	54.9
83.08629	19.1
85.06548	9.2
91.05444	38.8
93.07051	63.6
95.04975	14.2
95.08604	88.6
97.02833	7.5
97.06517	10.1
97.10166	24.0
98.21428	9.8
105.07042	39.4
107.04946	14.1
107.08598	23.6
108.92588	7.6
109.06521	8.6
109.10133	40.7
110.92463	7.5
117.07004	12.2
119.08588	28.7
121.06496	10.6
121.10120	23.9
125.09656	14.3
127.97652	7.2
131.08545	33.8
133.10118	32.0
135.08014	11.0
137.09595	45.3
139.11259	11.4
142.37914	8.2
145.10086	15.2
147.11713	17.9
149.09612	11.1
159.11674	15.7
171.11655	9.4
173.11739	8.1
189.11314	15.2
257.19016	17.8
275.20071	100.0
293.21106	80.0
349.72879	7.9
409.22101	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
56.96562	36.7
61.02917	2.9
69.03419	10.5
70.06579	4.6
70.40928	10.4
73.02940	4.0
73.04767	12.6
76.76949	2.5
79.05507	3.3
81.03417	4.1
84.04507	2.8
84.08115	8.6
84.96029	6.9
85.02899	18.1
86.06050	3.7
91.05798	72.9
93.21750	2.8
95.04998	3.0
97.02885	12.2
97.96803	5.0
98.97578	100.0
102.97075	3.2
105.90811	2.5
107.04943	7.8
109.06816	3.1
110.97547	5.5
111.04439	2.7
114.42697	2.2
115.97845	5.9
116.98615	97.5
121.02873	48.0
121.06508	3.2
122.07150	2.7
123.07890	3.1
127.03917	6.6
128.98598	23.0
129.10190	4.9
131.00195	5.6
133.98830	4.7
134.99657	71.3
135.04474	3.2
136.06184	2.7
140.00243	4.0
140.98552	3.1
143.00223	4.5
144.04733	2.8
144.98064	3.2
146.99637	41.3
149.01173	7.8
149.04515	4.7
149.05917	4.4
152.05635	3.2
153.00729	14.0
158.99651	24.6
161.01208	10.2
162.99150	3.4
163.03944	11.4
165.00696	10.4
167.05540	30.4
170.99718	5.9
177.00708	60.4
179.02249	3.9
189.00674	10.8
193.01675	17.3
195.01810	5.6
197.02992	2.6
200.02293	3.1
205.09103	3.2
211.02797	39.7
212.00078	2.9
219.01761	35.1
223.02817	11.0
225.04282	16.3
227.02213	5.8
229.03802	2.9
237.02797	97.0
239.02333	7.6
241.03827	22.1
242.03270	3.1
247.02821	8.2
249.04234	5.2
255.03867	11.9
259.04846	4.3
260.02063	4.0
260.04379	3.8
263.04492	3.4
265.03836	26.1
265.06342	4.8
272.06595	3.4
274.07147	3.1
278.03070	3.3
281.03351	10.5
283.04840	7.5
283.07953	4.4
288.05392	3.5
307.04889	14.5
325.06033	3.4
342.99695	5.3
354.70563	2.8
359.02823	43.4
367.06940	3.5
385.08081	52.8
403.09106	88.0
404.09436	3.3
426.10992	3.7
445.09970	22.9
445.16336	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30144	1.1
55.05494	2.0
59.18535	1.1
67.05482	2.3
69.39907	11.7
72.10928	1.3
79.05490	1.9
81.07082	2.0
83.04938	1.6
85.06525	1.4
86.09724	1.2
91.05445	1.6
93.07053	2.2
95.08608	3.3
105.07032	3.2
107.08568	1.5
109.10183	2.5
123.08023	2.1
133.06456	1.3
136.06168	7.5
140.04951	4.7
142.06535	1.4
151.07535	4.8
152.07874	1.7
155.06024	23.5
156.08224	1.1
163.07533	12.2
167.06001	6.0
167.07220	1.3
168.06876	3.9
169.07599	44.5
169.11829	1.1
170.06026	4.0
170.14934	1.4
179.06024	15.8
181.07591	2.2
182.06067	2.3
182.08391	2.4
183.05522	20.3
183.09111	1.4
184.07582	1.6
185.07089	10.9
193.07608	14.5
194.06073	2.5
195.05510	33.3
196.06320	16.9
197.07108	29.9
198.05493	9.3
201.06517	2.1
207.05525	10.7
209.07144	4.7
210.05312	1.3
210.08025	1.6
210.99170	2.4
211.04987	2.7
211.08612	6.3
213.06564	29.5
221.07072	24.7
222.07698	1.6
223.05061	3.0
225.06586	52.2
229.06096	25.4
237.06567	8.1
238.07391	4.6
239.04492	3.6
239.08141	31.8
241.03702	1.3
241.06070	3.8
243.07634	6.9
249.06593	12.3
253.06104	4.6
255.07556	2.2
256.08322	2.4
257.05423	6.7
264.23270	1.5
265.06097	3.7
267.07599	24.2
269.05597	4.8
271.07123	44.1
277.06042	15.6
285.08698	35.2
295.07141	46.4
312.10013	1.9
313.08200	42.3
314.08569	2.6
331.09195	9.1
338.14954	7.0
380.16064	15.6
384.15515	56.6
385.16089	1.8
398.17075	37.5
399.16864	1.9
408.26682	1.9
426.16608	50.2
427.16910	2.4
444.17664	100.0
444.80487	1.4
445.18011	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01868	0.8
56.96574	0.5
57.03437	2.0
59.04995	2.2
61.02910	1.1
67.03014	0.4
69.03432	7.1
70.06569	0.8
70.76478	0.6
70.76862	0.7
71.04974	0.6
72.68711	0.3
72.84471	0.4
73.04740	0.5
75.04464	0.9
81.03413	1.8
85.02430	0.7
85.02903	9.3
86.28988	0.3
87.04471	5.1
90.65609	0.4
91.05801	3.0
94.87997	0.4
95.04952	0.4
97.02901	4.0
98.97589	0.4
99.04436	0.8
101.06000	3.1
107.04953	0.8
109.02861	0.8
111.04433	0.8
115.03924	2.0
119.03562	1.2
120.08241	0.5
121.02877	0.4
127.03916	0.9
129.05484	1.0
130.84567	0.3
135.04404	0.6
136.06180	100.0
137.04568	1.0
137.06586	0.6
145.04947	0.8
147.06520	4.0
163.03897	2.3
167.05626	0.9
175.05757	0.3
218.05151	0.4
231.97063	0.4
237.02521	0.4
243.47934	0.4
253.01659	0.5
282.11957	8.1
298.11487	1.3
302.48776	0.4
342.99637	0.6
350.34833	0.4
359.02911	1.4
444.17459	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30144	1.1
55.05494	2.0
59.18535	1.1
67.05482	2.3
69.39907	11.7
72.10928	1.3
79.05490	1.9
81.07082	2.0
83.04938	1.6
85.06525	1.4
86.09724	1.2
91.05445	1.6
93.07053	2.2
95.08608	3.3
105.07032	3.2
107.08568	1.5
109.10183	2.5
123.08023	2.1
133.06456	1.3
136.06168	7.5
140.04951	4.7
142.06535	1.4
151.07535	4.8
152.07874	1.7
155.06024	23.5
156.08224	1.1
163.07533	12.2
167.06001	6.0
167.07220	1.3
168.06876	3.9
169.07599	44.5
169.11829	1.1
170.06026	4.0
170.14934	1.4
179.06024	15.8
181.07591	2.2
182.06067	2.3
182.08391	2.4
183.05522	20.3
183.09111	1.4
184.07582	1.6
185.07089	10.9
193.07608	14.5
194.06073	2.5
195.05510	33.3
196.06320	16.9
197.07108	29.9
198.05493	9.3
201.06517	2.1
207.05525	10.7
209.07144	4.7
210.05312	1.3
210.08025	1.6
210.99170	2.4
211.04987	2.7
211.08612	6.3
213.06564	29.5
221.07072	24.7
222.07698	1.6
223.05061	3.0
225.06586	52.2
229.06096	25.4
237.06567	8.1
238.07391	4.6
239.04492	3.6
239.08141	31.8
241.03702	1.3
241.06070	3.8
243.07634	6.9
249.06593	12.3
253.06104	4.6
255.07556	2.2
256.08322	2.4
257.05423	6.7
264.23270	1.5
265.06097	3.7
267.07599	24.2
269.05597	4.8
271.07123	44.1
277.06042	15.6
285.08698	35.2
295.07141	46.4
312.10013	1.9
313.08200	42.3
314.08569	2.6
331.09195	9.1
338.14954	7.0
380.16064	15.6
384.15515	56.6
385.16089	1.8
398.17075	37.5
399.16864	1.9
408.26682	1.9
426.16608	50.2
427.16910	2.4
444.17664	100.0
444.80487	1.4
445.18011	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01865	7.9
55.05506	17.8
57.03440	15.8
57.07066	3.1
59.04991	6.3
61.02921	17.8
67.05493	9.9
69.03079	4.2
69.03429	55.1
69.07062	5.0
69.85887	17.0
70.06583	15.2
71.04979	13.7
72.08161	5.4
73.02902	11.2
74.22643	2.6
79.05489	11.2
81.03410	25.4
81.07047	11.2
83.04984	21.0
84.04442	3.9
85.02901	100.0
85.06522	9.0
86.03216	3.5
86.09715	3.6
87.04468	4.8
91.03935	7.2
91.05479	16.8
93.07051	21.8
95.04953	23.2
95.08599	8.1
97.02895	37.4
97.06509	3.1
98.97562	4.1
99.04449	9.4
99.12135	2.8
101.06001	5.5
102.05623	2.8
105.07024	20.3
107.04955	3.7
107.08581	19.2
109.02869	11.3
109.06515	10.8
109.10154	14.6
111.04424	9.8
113.13540	2.7
115.05383	2.6
116.98611	4.3
117.07035	4.7
119.04927	3.1
119.08575	33.3
121.06488	11.8
121.10132	25.1
123.08073	3.9
123.11726	4.9
124.07593	4.4
125.06035	3.5
127.03927	17.8
128.06209	3.7
129.07014	3.9
131.08606	13.5
133.10139	16.4
135.08051	16.4
135.11676	11.6
135.13153	2.8
137.06027	6.6
137.09593	22.4
138.05464	6.7
141.00095	3.0
141.07030	3.0
142.07755	3.3
143.08531	11.4
145.04948	15.2
145.10117	15.9
147.08084	5.5
147.09158	53.5
147.11685	6.2
149.09599	8.7
150.09129	4.3
154.07700	3.0
156.09349	5.1
156.15073	2.7
157.10126	16.0
159.08051	73.1
159.11668	10.7
161.09598	9.9
161.13214	5.6
163.11165	46.0
165.12750	3.2
167.06992	6.0
171.11673	6.0
173.09581	3.2
173.13155	8.0
175.11195	9.4
175.14827	5.8
177.09099	20.6
179.08611	4.7
179.10585	4.5
181.12209	12.8
181.51678	2.6
183.11647	3.8
185.09590	4.3
185.13232	8.8
187.11174	12.7
187.14781	3.1
191.10699	3.4
195.10365	3.1
199.14822	6.1
201.12682	6.8
203.10454	3.3
203.14317	22.4
209.13176	5.6
209.15320	3.9
215.14330	8.1
217.15965	5.6
219.13734	5.2
227.14278	12.9
233.15324	8.4
238.12924	2.8
245.15393	44.4
253.81648	3.5
263.16415	69.8
281.14923	52.0
281.17606	11.7
318.91522	2.9
360.68195	3.3
382.46127	2.8
443.20142	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
54.49454	0.6
55.01862	1.2
55.05519	0.9
57.03440	3.8
59.53411	0.6
60.59888	0.7
61.02927	3.7
67.05487	1.8
69.03426	13.1
70.06583	3.2
70.75852	1.1
70.76186	1.3
71.01325	0.7
71.04991	1.5
72.08151	0.7
73.02910	3.7
79.05477	1.4
81.03416	3.9
81.07051	1.1
83.04974	2.3
84.08148	0.9
85.02900	19.2
85.06535	0.8
86.09692	1.1
87.04457	1.6
91.05481	2.1
93.07031	2.1
95.04974	2.5
95.08593	1.2
97.02887	6.2
97.06499	0.9
99.04473	3.4
101.02363	0.6
101.05969	1.0
105.07016	2.3
107.08580	3.1
109.02881	2.4
109.06506	1.4
109.10106	1.4
115.03954	0.6
117.48877	0.6
119.08583	3.5
121.06523	0.6
121.10144	2.6
127.03916	3.5
131.08586	1.1
132.06790	1.4
133.10123	1.1
135.08047	1.5
135.11745	0.7
137.05997	0.9
137.09586	2.2
143.08574	1.3
144.93077	0.6
145.04948	1.3
145.10107	1.6
146.08423	1.0
147.09166	73.5
148.09505	1.3
149.09610	0.8
157.10121	1.0
159.08070	7.2
159.09261	1.3
159.11694	1.0
161.09621	1.4
163.11195	4.3
167.07077	1.1
169.10022	0.7
171.11766	0.7
175.11130	1.4
175.14920	0.7
176.24323	0.6
177.09106	2.8
181.12280	1.3
185.13306	1.4
187.11098	1.2
189.05244	1.3
189.10208	1.7
199.14845	0.7
203.11902	0.8
203.14330	1.9
215.14383	0.7
219.13785	0.6
227.14287	1.8
245.15268	5.1
263.16348	5.5
281.14944	54.7
282.15323	1.9
323.16098	0.9
443.15067	10.6
443.20270	100.0
444.20847	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01862	6.7
55.05517	36.9
56.05047	4.1
57.03432	11.9
57.07066	2.6
59.04988	9.3
61.02914	11.6
65.28784	2.5
67.05486	10.1
68.37342	3.2
69.03436	36.7
70.06599	13.2
71.04986	5.7
71.32698	5.9
72.08144	5.4
73.02899	4.6
79.05494	9.2
81.03426	16.8
81.07064	18.1
82.06556	3.1
83.04977	45.2
84.08116	8.0
85.02911	81.2
85.06535	10.1
86.09711	6.0
87.04465	6.9
91.05483	21.2
93.07020	14.2
95.04990	21.6
95.08611	7.7
97.02889	31.2
97.06528	7.0
98.97553	2.8
99.04469	6.7
100.07612	10.1
101.06019	22.1
105.07013	19.9
107.04957	5.3
107.08591	19.8
109.02850	8.6
109.06503	12.6
109.10144	7.4
111.04461	4.1
117.06994	7.9
117.48476	2.5
119.04930	4.5
119.08584	30.1
121.06493	9.9
121.10151	21.2
123.04424	3.7
123.08068	9.4
125.05984	5.5
127.03920	15.9
129.07027	3.4
131.08575	8.9
133.06522	4.3
133.10139	16.7
135.08029	10.7
135.11707	8.6
136.07558	7.6
137.05945	12.0
137.09576	6.6
141.07005	4.0
143.08556	7.5
145.04977	9.0
145.06448	4.3
145.10176	13.3
146.07246	3.3
147.08040	24.8
147.09177	28.2
147.11693	3.0
148.88136	2.8
149.09593	6.0
151.07584	6.4
153.12709	3.8
157.10086	4.4
159.08005	6.0
159.11696	8.6
161.09615	19.8
163.03865	4.7
163.11182	100.0
171.11674	4.5
175.11243	3.4
177.05421	3.2
177.09070	14.1
179.10629	10.2
181.12247	34.3
185.13222	7.0
187.11255	3.8
189.09073	6.8
195.10132	3.8
199.14949	3.2
203.14359	8.7
205.12239	4.6
207.10196	16.7
215.14359	3.0
227.14378	4.9
233.15349	7.9
245.15396	17.1
263.16403	45.3
265.05295	4.3
281.08389	3.9
281.14847	20.0
281.17572	21.9
408.80792	3.1
443.14725	4.9
443.19681	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	3.6
55.04251	3.9
56.67939	0.6
62.11860	0.6
63.20160	0.6
69.03443	1.0
70.63687	1.9
73.02934	0.8
80.05013	0.9
81.03421	1.3
81.04537	21.5
82.05320	9.4
85.02882	2.7
87.04436	0.6
95.34196	0.5
97.02874	1.2
98.97582	0.7
99.04491	0.7
110.07137	0.7
110.55904	0.7
122.07149	100.0
123.07932	92.8
123.30614	0.5
124.08309	1.0
129.66557	0.6
135.04442	0.7
142.03238	0.7
160.04245	1.9
163.03926	0.8
165.07698	3.7
172.04283	1.5
243.92924	0.6
249.76909	0.6
272.53732	0.6
281.10660	63.2
282.10928	1.5
323.11801	1.4
443.15952	60.2
444.16260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.60941	0.3
55.01853	1.1
55.05490	0.7
57.03433	0.5
65.43564	0.3
67.05487	0.9
68.99776	0.6
69.03415	1.0
69.07052	0.9
71.04981	0.5
71.58110	0.6
73.02914	0.4
79.05493	4.3
81.03394	0.6
81.07051	2.3
83.04987	0.5
85.02892	1.5
85.06541	0.5
86.09729	0.5
86.14967	0.3
91.05470	3.0
92.06268	0.4
93.07030	1.6
95.04971	2.0
95.08616	1.8
97.02911	0.8
97.06538	0.3
99.04423	0.5
103.03973	0.6
103.05465	4.8
104.05676	0.4
105.07030	13.1
107.04961	0.8
107.08592	1.3
109.02824	0.5
109.06502	0.9
109.10150	1.1
111.04376	0.3
115.05450	1.3
117.07021	1.2
119.04958	0.6
119.08588	1.0
121.02869	0.3
121.06474	1.3
121.10177	0.8
123.04375	0.9
123.08056	0.8
123.11687	0.6
125.09572	0.4
127.03892	0.4
128.06230	0.9
129.06995	1.5
131.04918	1.9
131.08557	1.2
133.06493	2.7
133.10100	0.8
135.04382	1.1
135.08032	1.3
137.05927	0.7
137.09587	0.8
141.06999	0.7
143.08568	0.4
144.05640	0.6
145.06482	2.1
145.10123	0.4
147.04430	2.4
147.08049	0.6
147.11736	0.6
148.05164	0.8
149.05992	5.6
151.06436	0.5
151.07550	6.7
153.05547	0.4
155.08536	0.4
157.06511	0.5
158.07295	0.4
159.08044	1.0
159.11722	0.4
161.05974	2.5
161.09569	0.6
161.13345	0.4
163.07542	100.0
164.07851	1.9
165.09099	4.3
167.07097	0.4
171.08034	0.8
171.11761	0.4
171.58940	0.3
173.00069	0.3
173.05975	3.0
173.13248	0.3
174.06764	1.4
175.07527	3.2
177.09094	1.8
179.06990	0.4
181.08588	7.9
185.05934	0.4
187.07571	1.2
189.05470	0.8
189.09116	12.5
190.09689	0.4
191.07037	0.5
191.10710	0.8
195.10081	0.4
199.07585	0.4
201.09096	0.4
205.12209	0.4
207.10159	1.7
215.07031	1.0
223.09750	1.2
224.46690	0.4
227.06964	0.5
259.09729	0.3
275.09354	0.4
283.11890	0.8
299.12717	0.4
311.12668	2.0
321.11142	0.4
323.12769	11.0
330.97708	0.3
335.12839	1.0
341.13824	0.5
347.12311	0.3
365.13818	3.5
377.13947	0.4
389.13913	0.5
395.14774	0.7
407.14874	1.6
425.15817	3.3
425.31180	0.4
443.16998	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.42101	1.6
55.05507	2.6
56.55224	1.6
64.78501	1.6
65.86700	1.6
67.05493	2.5
69.07053	6.8
71.58224	1.9
74.07175	2.2
78.94422	2.0
81.07043	7.5
83.08616	2.8
93.07030	5.0
95.08608	12.0
105.06980	2.7
107.08597	7.6
109.10149	6.8
119.08549	5.9
121.10130	5.8
123.11681	4.9
133.10114	3.8
135.08044	6.7
135.11678	6.1
137.13274	2.3
149.09657	13.0
149.13249	3.1
161.13254	3.2
173.13326	3.9
175.14828	2.5
189.16286	3.4
196.30295	2.0
233.19034	3.3
234.91400	1.9
235.16983	4.3
287.23730	4.1
384.11386	1.9
441.37268	100.0
442.37775	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14588	1.6
53.03939	3.4
55.05496	4.4
57.03435	2.2
57.07071	2.4
65.21436	1.8
67.05497	8.4
68.99754	1.9
69.03416	12.1
69.07075	11.9
69.34411	18.6
70.06591	1.8
71.04992	3.4
76.79640	1.8
79.05486	8.3
81.03407	7.5
81.07057	8.5
81.14697	1.9
83.04971	2.8
85.02905	15.7
85.06551	3.5
87.00821	6.0
91.05480	11.4
93.07047	10.2
95.04985	3.4
95.08596	15.7
97.02894	12.6
97.06524	3.4
99.04452	2.9
101.02389	2.6
105.01869	7.4
105.07037	14.4
107.04942	6.5
107.08594	18.3
109.02871	7.3
109.06479	3.1
109.10172	11.1
115.03853	2.0
119.04902	3.7
119.08573	34.9
121.06506	3.0
121.10128	21.3
123.08067	4.0
123.11677	3.3
125.02332	4.9
127.03925	10.8
131.08514	4.9
133.10129	34.3
134.10422	2.1
135.10779	2.2
135.11725	5.2
137.09613	3.9
143.08591	3.2
145.04855	2.2
145.10126	6.8
147.08115	2.1
147.11708	9.7
149.07465	3.9
149.09618	2.2
149.13258	4.0
151.07455	2.0
159.02829	2.2
159.11707	5.8
161.13211	5.2
163.03938	10.4
165.09122	2.0
173.13261	5.9
174.28746	1.7
174.94560	1.9
175.07666	2.7
175.11172	3.9
175.14824	100.0
177.16368	20.4
187.14803	6.1
193.15913	4.4
205.15892	13.1
231.04970	3.0
279.15710	2.2
283.16922	1.9
289.05276	3.4
301.17877	2.2
441.16156	6.4
441.21744	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06843	5.7
53.03947	11.2
55.01867	9.4
55.05499	27.2
57.03422	10.5
60.28054	5.9
67.05518	43.2
68.74599	7.5
68.99801	7.6
69.03423	45.2
69.07073	31.5
69.87241	20.2
69.87653	16.8
70.06571	13.9
71.04990	15.3
72.08192	6.8
79.05498	30.1
80.60401	6.4
81.03426	43.7
81.07050	51.6
83.04971	13.6
83.08614	11.7
85.02908	35.4
85.06539	16.0
86.09686	7.1
87.00825	14.7
91.05484	33.9
93.07059	48.1
95.04960	43.9
95.08596	56.0
97.02881	19.2
97.06538	12.4
97.10174	11.1
98.21454	8.2
99.04446	16.1
103.03976	6.6
105.01838	8.7
105.07030	51.3
107.04917	8.6
107.08584	47.2
109.02895	22.2
109.06505	47.4
109.10169	27.1
111.04408	12.5
113.06029	7.2
113.09689	8.4
115.03880	6.7
117.07007	12.3
119.08580	55.8
121.06498	19.5
121.10138	37.3
123.04488	11.6
123.08076	22.1
123.11726	16.6
125.05978	9.7
125.09599	9.6
127.03903	22.7
129.06999	11.2
131.08577	25.0
133.06485	9.4
133.10155	39.7
134.87444	6.2
135.08026	9.5
135.11678	22.7
137.06001	10.2
137.09659	13.9
143.08531	13.7
145.06458	8.0
145.10095	34.2
147.08058	13.6
147.11685	24.0
149.09619	15.8
149.13271	14.8
151.07492	15.1
151.11174	9.8
153.01772	7.7
155.08629	10.5
157.10133	19.4
159.08057	8.5
159.11719	26.4
161.05919	8.2
161.09633	15.4
161.13271	15.9
163.03932	7.3
163.07603	9.4
163.11209	13.3
165.07127	6.3
165.09113	26.9
171.11624	17.3
173.09698	8.6
173.13246	25.8
175.11194	18.3
175.14864	20.7
177.09117	9.9
183.11647	7.2
184.12376	6.1
185.09622	8.6
185.13275	6.7
187.07570	7.3
187.14844	10.8
189.09093	9.5
189.12691	7.3
191.14378	15.5
193.15912	8.3
197.09540	6.4
197.13232	10.0
201.12663	8.6
202.12036	6.4
203.14252	7.4
205.15842	11.9
212.16554	11.5
213.16464	8.6
215.14378	7.8
217.15884	13.1
219.13795	7.1
225.12987	7.0
235.16956	21.2
242.01909	6.2
273.18686	8.2
277.18027	10.6
281.92581	6.3
283.10065	6.5
283.16962	9.3
397.18237	32.7
405.19080	11.7
423.20480	24.3
441.17068	100.0
441.24594	25.7
441.30215	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75881	0.7
67.05495	1.6
69.03414	1.8
69.07046	1.4
70.06575	2.0
71.04977	1.2
71.57316	0.9
72.08165	0.9
74.89585	0.7
79.05472	1.6
79.65691	0.8
81.03414	2.3
81.07047	2.3
85.02900	2.1
86.09697	2.8
91.05472	2.5
93.07040	1.8
95.08602	1.8
97.02898	1.4
99.04449	2.4
105.07038	1.2
106.96503	0.7
107.08583	2.6
109.02890	1.4
109.10143	1.8
116.07057	0.7
119.01913	1.5
119.08596	1.7
121.10124	1.8
123.08018	1.1
123.66887	0.7
127.03912	2.4
133.10143	1.5
135.11676	0.9
145.10092	1.0
149.09648	0.9
161.02913	1.1
175.14870	1.3
179.03345	1.0
193.04964	1.2
193.11992	2.4
227.05287	1.8
245.06363	6.9
267.03677	0.8
271.04211	1.4
287.03757	1.1
289.05280	55.6
337.15854	0.9
355.17371	3.8
379.17273	2.2
397.18338	32.0
423.16293	9.3
441.17285	100.0
442.17657	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01844	1.1
57.03436	1.6
67.05498	1.1
69.03423	6.4
70.06586	5.1
71.04988	3.6
71.07574	2.7
71.63787	1.1
73.02913	1.2
75.70050	0.9
81.03418	5.4
81.07018	1.3
84.08120	1.5
85.02899	11.2
86.09685	4.1
87.04449	1.4
89.03897	6.1
89.06032	9.6
89.07123	1.0
91.05478	1.9
93.07033	1.6
94.06520	1.0
95.04968	2.2
95.08612	1.2
97.02879	11.8
99.04438	4.1
104.62813	0.9
105.07017	2.2
107.04944	3.3
107.08611	1.7
108.08109	1.4
108.39825	1.4
109.02907	5.6
110.06038	3.0
117.03378	6.3
117.38422	0.9
120.08079	1.4
121.10143	1.1
122.06033	3.4
124.07595	3.5
125.08367	4.3
127.03917	7.1
130.06537	1.2
133.02821	4.3
135.04413	19.6
136.07545	7.3
137.05969	2.4
138.09081	1.5
145.02827	9.4
145.04948	3.2
145.06494	1.3
146.05989	3.0
147.04369	1.3
147.06363	1.7
149.05923	1.0
150.05515	1.2
152.07053	1.8
159.07918	1.0
163.03903	100.0
164.04266	1.6
174.05420	1.5
175.05856	2.6
175.07410	1.0
178.02571	1.9
192.43903	1.0
193.04965	27.9
193.06735	2.4
195.49538	1.0
215.11803	1.2
231.11237	1.1
233.12943	1.2
243.08812	1.4
244.09627	3.5
250.76564	1.0
261.12344	3.1
269.04453	1.5
279.08685	1.6
279.13422	11.2
279.16412	2.0
287.14078	1.5
423.13019	1.4
441.22058	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1369
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
55.60978	1.2
56.96537	1.7
57.44755	1.2
64.31527	1.1
67.72884	1.0
70.06571	1.9
70.20380	4.8
72.67808	0.9
85.02915	2.3
96.98020	1.0
97.02896	1.8
98.97581	4.0
107.04947	1.1
116.98625	2.0
128.98631	1.1
134.99686	1.5
146.99661	1.8
161.01202	1.6
163.03900	2.9
177.00798	2.0
189.00722	1.3
201.00754	2.1
219.01811	2.6
260.25873	1.2
261.02805	4.4
279.03827	1.8
441.13687	100.0
442.14386	1.6
458.48328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72029	0.2
53.03931	0.6
55.01853	0.4
57.03431	0.3
69.03415	1.5
70.06568	0.8
70.36187	0.8
71.04971	0.4
79.05472	0.4
81.03397	1.2
81.07030	0.4
85.02898	2.8
85.07649	1.1
87.00809	0.7
87.42220	0.2
89.03920	0.4
89.82775	0.3
90.74953	0.3
91.03963	0.4
91.05471	1.5
92.05783	0.4
94.04166	0.3
95.08596	0.4
97.02869	1.0
97.06505	0.3
99.04444	0.4
105.01842	0.9
107.04948	0.6
109.02885	1.3
122.03616	1.0
122.05999	0.3
123.04351	0.3
127.03918	2.1
128.07069	0.7
129.07394	0.4
133.02849	17.3
135.08018	0.4
137.05960	4.1
145.04935	0.6
149.05995	1.3
150.03084	1.0
159.02898	0.8
163.03844	0.8
165.05511	2.3
178.02592	8.2
179.03169	0.3
193.04955	100.0
194.05283	2.5
229.85886	0.3
231.04919	0.3
279.06857	0.4
289.05280	0.8
297.07541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33352	0.1
52.72186	0.1
55.01876	0.2
55.05502	0.2
67.01865	0.6
67.05473	0.2
67.94254	0.2
68.99789	0.5
69.03420	0.2
70.06578	0.4
71.05000	0.2
71.57837	0.1
79.05472	0.2
81.03393	0.4
81.07056	0.4
83.08591	0.2
84.03953	0.1
84.08134	0.1
85.02914	1.0
86.09708	0.3
89.11490	0.1
91.05476	0.5
93.07050	0.3
94.64417	0.2
95.04972	0.3
95.08601	0.3
97.02861	0.2
97.06534	0.2
99.04446	0.3
100.11199	0.2
103.05472	0.2
105.07044	0.2
107.08597	0.3
109.02872	0.3
109.10181	0.2
112.67211	0.1
119.04950	0.2
119.08595	0.2
120.08104	1.3
121.08427	0.5
121.10139	0.2
125.05997	0.7
127.03931	0.7
137.05911	0.1
140.07013	0.1
147.04413	0.8
149.09723	0.2
151.03787	0.3
153.01862	0.7
157.10170	0.1
159.11528	0.2
169.04959	0.6
172.46266	0.2
179.03398	0.3
193.04964	100.0
194.05316	1.8
227.17674	0.2
246.14867	0.2
248.12817	0.2
249.13335	0.1
279.04681	0.1
289.05322	0.3
355.10254	0.3
361.50366	0.2
391.43134	0.1
410.31015	0.1
423.33337	0.3
441.10251	0.9
441.17160	1.5
469.46249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	23.0
70.06590	2.8
70.27948	8.3
75.22370	1.7
84.96030	8.1
85.02905	4.4
91.46285	1.9
97.02922	2.3
97.94714	1.9
98.96928	4.1
98.97579	84.1
110.97562	18.9
116.98617	59.9
124.99110	2.3
127.03920	2.6
128.98592	31.2
131.00165	3.1
134.99673	25.4
140.98581	8.1
143.00119	12.3
145.01692	3.4
146.99640	29.1
147.04456	6.0
149.01221	4.0
152.98596	2.9
157.42796	1.8
158.01286	2.3
158.99646	37.0
161.01233	19.6
163.03905	7.4
165.00697	2.7
170.99622	24.0
173.01338	2.1
177.00708	42.9
179.02252	4.0
182.99661	8.7
189.00706	36.6
194.99759	2.3
195.01689	3.8
199.50848	2.1
201.00688	64.2
207.01787	8.2
213.00703	4.3
219.01753	61.6
231.01695	4.8
237.02824	31.2
243.01733	20.1
255.03856	2.9
261.02798	100.0
265.05087	1.9
271.69891	1.8
272.07019	2.2
273.02786	7.3
279.03857	71.8
280.93707	2.1
291.03979	17.8
297.04977	4.7
302.05435	5.3
309.04907	3.1
321.04895	41.2
327.93063	1.9
333.04904	3.7
351.05865	5.4
381.07077	3.0
390.58295	1.8
399.07864	3.8
441.09131	15.7
441.14600	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01860	0.8
55.05514	5.4
56.05034	5.0
57.03423	1.1
67.05507	11.4
69.03426	0.9
69.07078	10.0
71.04978	0.9
74.29224	0.7
76.28519	0.7
79.05497	11.9
81.00430	0.7
81.03412	1.1
81.07058	9.2
83.04991	2.5
83.08622	2.4
84.04508	100.0
84.53635	0.7
85.02919	0.9
91.05484	10.1
93.07043	11.1
95.04980	5.3
95.08620	8.8
97.06535	2.1
97.10180	2.4
98.20676	1.0
102.05544	13.2
105.04501	0.8
105.07029	9.4
107.04957	6.0
107.08601	6.4
109.06541	1.4
109.10162	4.6
117.07034	2.3
119.08598	6.1
121.06517	0.8
121.10162	5.9
125.09704	1.3
129.07007	0.7
130.05009	66.9
131.08588	3.0
133.10146	5.7
135.08052	5.3
137.09650	1.9
139.11179	4.6
145.10136	2.5
146.15977	0.7
147.11702	2.4
148.06053	24.5
149.09650	2.3
151.11191	0.9
159.11699	1.5
161.13286	1.2
177.12909	0.7
183.13721	0.9
203.12788	4.5
207.13826	1.0
219.13896	0.8
225.14903	1.1
237.14909	3.7
239.18105	0.7
257.19061	2.4
260.99591	0.8
275.20087	21.8
291.70386	0.9
293.21124	11.8
394.25873	1.2
440.26422	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97840	4.8
55.05489	14.2
55.96001	5.7
57.07077	11.4
67.05489	22.3
69.07053	19.2
69.94972	30.9
79.05470	14.8
81.07061	57.1
81.94756	4.9
83.08609	14.8
89.06030	15.2
90.82926	4.7
91.05455	14.2
93.07048	40.1
95.08609	100.0
97.10163	5.6
102.86111	5.6
105.07017	37.6
107.08588	77.2
109.10158	53.8
119.08574	78.7
121.10126	49.0
123.11715	24.4
131.08578	11.7
133.08618	7.9
133.10103	56.7
135.11681	36.9
137.13281	11.6
143.08588	5.4
145.10127	16.2
147.11688	33.7
149.13242	20.2
157.10144	8.6
159.11691	9.0
161.13214	23.1
161.27640	4.6
163.14761	20.6
171.11667	6.7
173.13191	8.1
175.14851	14.1
177.16328	14.6
183.82336	4.8
187.14774	8.2
189.16399	61.2
191.17921	78.7
201.16339	12.7
203.17966	86.3
205.19635	27.7
207.17447	14.9
213.16351	9.1
215.17940	16.2
217.15857	18.2
217.19453	19.4
231.21033	9.6
235.16936	6.4
240.15041	8.4
249.18459	18.8
393.34955	14.1
421.34445	10.1
439.35989	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01858	4.4
55.05511	14.1
56.05029	5.7
56.96571	6.8
57.03434	4.9
59.04985	4.8
65.27234	2.6
67.05501	38.3
68.05838	5.5
69.03404	4.0
69.06726	2.6
69.07066	68.7
69.25730	5.7
69.26137	26.9
71.04972	4.6
79.05494	27.4
81.03423	15.3
81.07045	31.0
82.06606	5.8
83.04958	7.7
83.08626	6.6
84.04504	100.0
85.02898	11.1
85.06541	5.8
86.09698	15.0
91.05476	20.9
93.07036	31.6
95.04964	31.6
95.08613	23.2
97.06555	5.7
99.04475	3.3
102.05537	35.0
105.07030	25.5
107.04958	13.0
107.05663	2.7
107.08583	15.5
109.06515	5.8
109.10175	15.9
110.10497	7.3
111.08076	5.4
116.98558	3.8
117.07029	6.6
119.08583	17.7
121.06512	6.0
121.10118	14.5
129.07030	5.5
130.05008	36.4
131.08565	9.5
133.10080	14.3
135.08072	12.9
135.11682	6.0
137.09587	3.5
139.11165	4.7
143.08559	3.4
145.10139	9.2
147.08086	3.0
147.11700	9.1
148.06044	62.8
149.09665	6.2
151.07422	3.7
151.11198	4.8
155.08510	4.0
159.11716	6.0
161.05966	2.9
161.13300	3.4
173.13286	4.9
177.12798	3.7
189.12810	3.4
193.12331	5.6
194.12512	4.3
203.12863	4.0
207.13863	8.5
209.29782	2.7
211.13362	5.1
225.14893	5.8
237.14857	31.1
251.11159	3.1
257.19150	3.4
258.96939	2.9
275.20102	56.5
284.15701	3.3
291.19315	2.9
293.21109	99.9
314.87619	2.8
328.24649	3.0
337.14407	9.7
422.15988	11.6
440.16879	9.7
440.26932	11.1
441.15082	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72500	5.2
53.03930	6.0
55.05499	10.1
56.05025	12.1
57.07061	13.4
62.41914	4.5
63.14702	4.2
65.97917	4.4
67.05487	11.7
69.03433	24.0
69.07048	15.8
70.06593	5.9
70.62523	17.6
71.04974	5.1
72.15932	4.9
79.05482	12.0
81.03395	18.0
81.07049	37.9
83.04976	6.4
83.06104	78.7
84.08131	5.9
85.02895	14.5
85.06529	44.3
86.50743	5.3
89.10735	5.0
91.05476	28.0
93.07051	8.4
95.04957	4.8
95.08608	26.2
97.02860	8.5
99.04445	6.9
99.08078	21.2
105.07015	15.1
107.04914	9.2
107.08572	15.0
109.02845	15.7
109.06519	5.0
109.10127	6.4
119.08598	9.2
121.10113	9.3
127.03912	28.4
131.08504	9.6
133.06482	5.1
133.10138	9.9
135.08022	11.5
136.07535	5.5
137.06007	5.2
137.13252	26.7
145.04945	6.2
145.10263	5.9
149.09575	7.9
149.13266	6.8
155.14273	47.2
158.10934	6.0
173.10854	4.4
173.13242	11.0
173.15324	13.6
184.61526	5.0
191.14294	53.7
191.16414	16.6
232.55547	4.7
289.05402	7.6
439.15643	100.0
439.22672	15.3
440.16052	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.5
57.07069	13.5
57.50661	3.7
59.86752	3.6
67.05505	27.9
69.07058	22.1
69.45208	35.8
71.08634	7.7
79.05498	11.3
81.07056	86.4
83.08618	11.5
87.85238	3.8
88.55956	3.5
89.06031	7.1
91.05486	8.0
93.07035	12.9
95.08597	100.0
97.10136	6.0
98.89575	3.5
104.71462	3.7
105.06993	20.0
107.08610	17.1
109.10155	45.0
119.08575	15.7
121.10150	16.8
123.11687	33.3
131.08556	13.9
133.10141	10.7
135.11702	11.4
137.13245	50.6
143.08548	5.5
145.10139	13.8
147.11679	10.6
149.13217	5.6
157.10069	8.7
159.11722	8.8
161.13190	4.4
171.11726	6.7
173.13271	8.1
175.14856	4.8
179.17957	9.1
184.18102	3.5
185.13272	6.1
187.14790	8.4
189.16344	4.2
199.14795	8.4
201.16399	6.7
213.16440	10.9
215.17975	4.8
222.20468	3.8
227.17966	4.3
241.19460	7.4
243.21135	8.6
245.15378	5.0
255.21065	7.1
259.16986	11.3
269.22592	5.1
287.19894	5.1
393.35437	20.2
406.82303	3.9
406.87921	3.6
439.35577	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.8
55.01867	8.1
55.05490	13.5
57.03421	9.7
57.07064	9.7
58.61784	3.0
67.05487	20.6
68.99796	5.7
69.03431	25.5
69.07060	10.1
69.49016	27.4
69.49341	6.9
71.04995	7.4
73.45810	2.9
79.05507	20.3
81.03414	37.6
81.07050	37.5
83.04966	12.5
83.08614	9.8
85.02899	33.2
85.06541	7.8
87.00813	9.2
91.05467	29.0
93.07038	26.1
95.04963	13.7
95.08604	20.8
97.02880	36.7
97.06520	6.2
99.04427	7.5
99.08087	6.1
103.05432	3.8
105.07015	28.0
107.04932	6.5
107.08585	39.5
109.02876	38.6
109.06506	21.1
109.10167	22.2
111.04431	11.8
111.08071	14.6
115.03922	4.4
115.05460	3.7
117.07018	11.5
119.08565	36.1
121.06496	8.5
121.10142	26.7
123.04423	6.4
123.08100	25.3
123.11701	8.8
127.03911	38.0
129.01877	4.0
129.07021	6.5
131.08556	37.2
133.06497	5.1
133.10143	21.5
135.08038	14.4
135.11682	13.4
137.05975	10.0
137.09537	3.9
143.08563	9.4
145.06425	4.3
145.10103	16.7
147.07967	6.8
147.11705	12.1
149.09599	9.7
149.13248	14.3
151.07555	8.0
153.09120	6.9
158.10919	7.6
159.02924	5.6
159.11668	4.0
161.05959	4.9
161.13281	6.1
163.07497	4.8
163.11153	5.5
163.14799	6.7
171.11682	4.6
173.09581	8.7
173.13257	33.7
175.11201	4.6
175.14818	14.8
189.12747	10.0
191.07010	8.7
191.10681	5.1
191.14302	100.0
191.16054	5.7
209.15349	5.4
213.03947	3.4
213.12665	3.9
233.15234	7.1
239.14310	4.0
275.16565	4.6
299.16394	8.0
353.19287	3.8
421.18451	9.6
439.23010	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.0
55.05496	9.1
57.03419	6.0
57.07085	29.4
58.27701	4.3
67.05502	23.6
69.03428	22.6
69.07077	14.9
70.06582	8.6
71.04999	12.3
79.05481	20.2
79.83265	5.3
81.03411	38.6
81.07050	50.6
83.05006	6.0
85.02913	29.9
85.06547	37.2
87.00829	8.2
91.05462	15.3
93.07032	16.6
95.04958	20.6
95.08588	32.3
97.02893	100.0
97.06530	33.6
99.04453	14.3
99.08100	49.8
103.30357	4.5
105.07045	18.9
107.08604	34.3
109.02882	46.3
109.06496	12.1
109.10145	12.5
111.04409	6.6
119.08564	12.3
119.27974	4.5
121.10112	15.3
123.08080	11.2
123.11690	5.3
127.03911	65.4
128.06224	5.0
129.07033	6.3
131.08575	14.8
131.63396	4.3
133.10164	13.1
135.08061	8.3
136.06128	5.5
137.05952	6.0
137.13243	22.6
145.10139	8.5
147.08064	6.6
147.11702	10.9
149.09659	9.1
149.13248	17.0
155.10664	6.0
155.14293	41.5
159.11699	5.0
161.05975	4.8
163.14799	9.5
173.09528	7.7
173.13266	15.0
173.15427	12.8
174.12065	5.1
183.73773	4.8
191.10646	8.0
191.14330	37.7
191.16414	20.0
209.15491	5.8
213.03932	9.8
269.47070	4.6
320.97064	4.7
371.90744	5.3
421.18607	5.0
439.14832	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01863	1.0
55.04032	0.7
55.05507	3.5
57.03429	1.2
57.07057	1.2
63.75766	0.5
65.03908	1.1
65.71658	0.5
67.05499	5.5
68.99771	1.5
69.03425	8.6
69.07076	3.6
70.11514	3.0
71.04970	1.0
79.05489	7.2
81.03410	3.8
81.07056	8.3
83.04987	3.1
83.08605	1.3
85.02883	4.8
87.00800	1.1
91.05479	7.7
93.07030	6.7
95.04955	5.9
95.08594	3.3
97.02882	2.8
97.06515	1.8
99.04455	1.3
103.05473	1.3
105.01861	1.5
105.07030	10.6
107.04946	3.9
107.08591	19.2
109.02885	4.2
109.06502	3.1
109.10154	8.9
111.08057	1.0
115.05473	1.5
117.07030	3.2
117.96915	0.6
118.04832	0.6
119.04919	0.9
119.08571	6.4
121.06503	2.5
121.09322	0.9
121.10149	13.6
122.07284	7.0
123.04443	0.7
123.08073	2.1
123.11699	1.5
125.06002	0.9
127.03930	3.6
129.07047	0.9
131.08601	3.3
133.10126	100.0
134.10419	1.6
135.08047	7.3
135.11668	2.5
137.05975	2.1
137.09612	50.2
143.08577	2.1
145.06468	1.2
145.10130	2.9
147.08040	1.5
147.11679	3.0
149.09619	7.4
149.13255	8.9
151.11172	1.1
157.10112	0.9
158.10951	2.1
159.08066	1.0
159.11740	0.9
161.06036	0.9
161.09639	1.4
161.13246	1.6
163.11177	0.7
163.14825	2.7
165.12755	1.0
171.08023	0.9
171.11720	0.7
173.09694	0.7
173.13254	7.7
175.11252	1.1
177.12746	0.7
187.11226	1.1
187.14879	1.3
189.12674	1.3
191.14301	33.8
192.14696	1.7
201.12740	1.0
203.14366	0.8
209.15393	1.5
277.14124	2.7
278.87552	0.6
299.16373	0.9
300.88440	0.6
302.04236	0.7
304.64563	0.6
317.17505	0.7
335.18573	1.0
353.19351	0.8
395.16537	0.9
403.17697	0.8
421.18799	1.2
439.14313	0.9
439.19766	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01875	2.8
55.05503	4.6
57.07071	17.1
59.04999	4.0
64.52398	1.6
65.95078	1.4
67.05500	4.0
69.03430	9.9
69.07055	5.8
69.56796	6.1
69.57231	6.5
71.04998	2.0
71.70345	1.4
78.94797	1.6
79.05486	3.9
81.03416	6.4
81.07056	10.3
83.04980	3.3
85.02905	15.7
86.09714	3.0
87.00822	5.8
91.05460	5.6
93.07020	5.4
95.04993	1.9
95.08612	10.3
97.02869	5.1
97.06523	2.4
97.10144	2.5
99.04447	3.5
103.05480	1.6
104.10722	6.3
105.01871	6.5
105.07055	8.0
107.04892	2.4
107.08601	12.2
108.81211	2.0
109.02853	5.6
109.06500	2.8
109.10127	5.6
111.89883	1.8
117.07034	1.9
119.08552	5.0
121.06498	2.2
121.10135	7.5
122.07272	5.4
123.08096	1.5
127.03909	8.2
131.08556	3.4
133.10124	48.6
135.08031	5.2
135.11734	1.9
137.09608	31.9
137.13242	19.9
140.11234	1.6
145.04941	4.4
147.11633	1.6
149.09584	4.0
149.13214	4.1
153.12808	3.3
154.85590	1.6
155.14299	100.0
159.02806	2.1
170.05228	1.6
173.13234	2.6
173.13783	2.0
173.15385	26.0
178.65947	1.5
184.07355	5.2
191.14304	18.4
203.83406	1.5
231.05087	2.7
434.09521	1.6
438.21899	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
67.05506	5.2
69.03420	10.1
69.07061	5.4
69.36474	22.2
74.69468	2.3
79.05486	7.9
81.03416	12.2
81.07045	7.2
83.04967	3.3
85.02907	9.8
85.06526	2.8
87.00838	2.9
91.05456	7.1
93.07038	7.8
95.04945	5.9
95.08604	3.7
97.02876	7.1
97.06508	3.5
98.12022	1.8
99.04440	4.3
105.07029	13.0
107.08593	22.4
109.02866	8.0
109.06490	2.4
109.10165	12.0
117.07011	5.1
119.08584	5.6
121.06484	2.9
121.10173	13.9
122.07269	3.4
127.03922	13.1
131.08539	6.0
133.10129	100.0
133.49249	2.4
135.08073	6.9
135.11676	2.5
137.09618	55.4
145.10104	4.6
147.11745	3.1
149.09618	7.7
149.13245	7.8
151.11145	3.4
163.14725	2.2
169.12207	2.7
173.13327	5.5
176.16811	2.1
191.14313	38.0
213.03883	4.3
231.04988	2.2
239.71725	2.1
245.52275	3.1
255.52194	2.2
269.37341	2.2
439.15610	4.7
448.62167	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01877	2.7
55.05507	4.2
57.03435	2.4
57.08110	1.6
59.04953	1.6
61.02914	2.1
67.05498	4.5
69.03420	9.7
69.07058	5.5
70.50044	6.1
71.04932	1.6
71.08627	56.6
73.02923	2.3
79.05461	2.3
81.03395	9.1
81.07054	5.1
85.02897	17.5
85.06520	2.3
87.00813	9.6
87.95478	2.1
91.05469	5.6
93.07050	2.6
95.04974	3.1
95.08606	3.7
97.02876	8.2
97.06498	2.6
99.04436	2.9
99.08088	100.0
105.01877	8.3
105.07040	4.7
107.08591	2.4
109.02892	7.7
109.10147	2.8
109.49438	1.4
119.08559	3.5
120.08123	3.4
121.10090	2.2
127.03898	10.9
129.12772	12.0
131.08557	2.6
145.04913	4.7
145.10147	1.8
147.11681	3.0
153.01814	1.7
154.15427	1.5
155.08562	14.1
155.14307	2.6
157.10075	2.1
159.02895	2.6
161.13290	1.7
163.07526	2.8
173.15369	57.9
181.08536	3.0
225.56073	1.5
231.04958	1.9
270.24805	1.6
311.53329	1.6
326.23395	2.1
438.19739	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.61662	0.6
55.01857	1.9
55.05500	1.5
56.42841	0.7
57.03413	1.9
57.07071	20.6
59.04993	5.0
61.02909	0.9
67.05514	1.4
68.99758	1.0
69.03423	6.5
69.05800	0.7
69.07067	5.5
70.71824	2.6
71.04996	1.5
73.02899	1.3
79.73276	0.6
81.03421	4.6
81.07036	3.7
83.08618	1.0
85.02902	13.3
87.00833	5.9
91.05451	1.0
93.07008	0.9
95.08628	3.9
97.02869	5.4
97.10167	1.9
99.04440	2.2
105.01876	4.8
107.08573	1.1
109.02871	4.6
111.11716	2.9
112.35681	0.6
127.03904	8.4
133.10153	5.4
137.09589	2.3
137.13249	11.7
145.04939	3.0
147.03000	0.9
155.14297	100.0
156.14621	1.4
159.02921	2.2
161.09595	0.8
173.15363	24.0
173.16855	1.3
174.15781	0.9
191.14314	2.2
231.04997	1.6
300.17703	0.7
316.10883	0.7
362.80524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33631	4.8
53.03946	9.2
55.01842	7.2
55.05508	27.0
67.05499	73.5
69.07064	21.2
71.57420	5.6
71.57885	6.5
79.05502	33.4
81.03409	9.6
81.07063	47.9
83.04987	9.0
83.08613	10.4
91.05473	97.8
92.06282	13.0
93.07040	35.0
95.04971	11.0
95.08585	30.5
97.06509	6.9
105.07016	100.0
107.04940	10.2
107.08613	24.4
109.10175	22.8
117.07002	44.9
119.08571	42.2
121.10138	19.4
129.07005	23.3
131.04956	8.9
131.08551	58.4
133.02835	18.3
133.10133	31.4
135.08032	10.6
137.09616	9.3
143.08588	14.0
145.06561	5.9
145.10123	33.3
147.04414	15.4
147.11685	16.5
149.05997	15.4
154.19124	7.2
155.08549	9.4
157.10098	14.6
159.04411	8.3
159.11676	19.1
160.91960	6.1
161.13159	7.6
163.03880	57.2
167.08641	6.7
172.59508	6.4
173.02309	21.7
173.06035	7.9
183.11769	8.2
187.07587	8.2
191.06998	17.8
192.07341	10.7
197.05843	6.6
197.13292	8.9
199.03897	13.3
203.07169	9.5
215.07039	21.5
225.05508	6.6
227.07002	12.8
237.05551	15.5
239.17847	7.1
255.06433	30.9
258.19815	7.5
275.20029	22.7
293.11740	12.6
299.12967	6.7
355.18668	7.5
391.22006	6.7
409.51196	6.6
419.22168	52.8
437.18909	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77601	2.7
53.03937	7.5
53.31141	2.9
55.01859	10.1
55.05505	21.2
57.03415	4.1
57.07069	4.6
62.33640	2.6
65.03940	3.9
67.05497	52.1
69.03407	10.8
69.07064	19.7
69.26428	11.9
69.26852	22.3
71.04977	4.5
76.46461	2.6
79.05488	34.9
81.03397	19.9
81.07050	47.5
83.04961	7.6
83.08602	7.2
83.19703	2.8
85.02910	28.8
91.05480	38.1
93.07039	46.3
95.04950	12.5
95.08594	32.9
95.24610	2.8
97.02869	9.6
97.06515	7.4
97.10163	3.8
98.21548	6.2
105.07024	43.5
107.04945	12.1
107.08601	26.2
109.02837	11.0
109.06498	11.6
109.10136	25.0
111.08060	3.8
117.07000	15.4
119.08572	27.0
121.06486	11.4
121.10133	14.8
123.08043	7.6
123.11713	2.9
125.09612	3.7
127.03905	18.3
128.06126	4.8
129.06993	7.1
131.08563	21.0
133.06468	6.1
133.10124	25.5
135.08043	8.6
135.11661	9.2
137.09575	6.2
142.07747	3.5
143.08539	8.5
145.06471	4.4
145.10133	21.0
147.04391	8.4
147.08078	6.7
147.11674	16.6
149.09595	8.2
151.11076	5.4
155.08566	4.5
157.10153	6.1
159.11661	12.9
161.09613	4.9
161.13237	4.7
163.03865	6.0
163.11130	8.9
167.08617	3.7
169.10040	4.5
171.11682	4.3
173.13248	7.9
175.03941	8.9
175.11060	3.1
177.12677	3.6
185.13152	4.0
187.07498	2.8
187.11145	3.0
191.10660	2.8
191.14304	3.3
195.07996	4.0
197.05998	3.8
197.09514	3.6
197.13283	5.8
199.14815	3.0
201.05472	25.0
201.12650	3.4
203.06960	8.3
211.07455	3.6
211.14726	3.2
213.05389	3.6
215.06992	5.3
215.17787	3.0
219.17426	2.9
227.07004	6.1
239.06866	3.3
239.17972	4.0
247.20544	3.5
257.18939	18.9
261.17810	3.2
275.20032	100.0
276.20590	3.2
293.20981	7.8
388.62009	3.0
391.22659	3.7
401.21246	4.6
419.21988	22.6
437.25189	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.2
53.03951	7.0
55.01864	7.5
55.05301	2.7
55.05515	27.3
57.03421	3.6
57.07071	4.4
65.03960	3.5
67.05503	53.4
69.03420	6.5
69.07069	22.8
70.04224	15.8
70.86459	3.3
71.04993	6.5
74.64555	2.7
79.05494	49.5
81.03412	10.4
81.07053	54.0
83.04984	8.0
83.08608	8.6
85.02839	3.5
87.14397	2.9
91.05482	63.2
93.07037	46.0
95.04960	16.2
95.08603	36.7
97.06510	6.6
97.10182	7.6
103.05441	4.9
105.07026	40.9
107.04942	19.9
107.08585	31.4
109.02866	4.2
109.06488	7.6
109.10151	21.7
115.05462	15.4
117.07001	17.3
117.36188	3.1
119.04948	4.0
119.08575	38.5
121.06528	7.5
121.10139	16.7
121.35498	2.8
123.04433	13.3
123.08069	5.8
123.11731	5.7
125.09658	7.3
127.03926	3.5
128.06210	7.0
129.06981	16.4
131.04938	8.3
131.08549	26.6
133.06482	9.9
133.10123	11.8
135.08058	5.9
135.11716	7.7
137.05983	4.9
137.09558	8.3
137.13184	2.8
141.06993	33.8
143.08539	17.1
145.06474	11.1
145.10112	23.5
147.04410	100.0
147.08044	12.2
147.11684	6.7
149.05936	4.8
149.09641	5.9
149.13307	5.8
149.86092	3.8
151.07535	3.7
152.06090	4.6
153.07013	5.2
155.04927	4.0
155.08527	12.1
157.06465	5.8
157.10150	8.1
159.08022	9.2
159.11707	9.0
160.05193	22.8
161.05988	58.6
161.09680	4.4
161.13310	4.1
163.03929	6.7
163.07552	3.6
163.11223	5.7
165.06995	10.8
167.08585	7.3
169.06493	11.7
169.10217	4.4
171.08083	11.8
171.11641	3.4
173.05988	62.2
173.09595	4.3
173.13274	5.1
175.03929	6.2
175.07544	10.8
175.14935	3.7
178.07903	3.8
179.08551	8.1
180.09294	3.4
181.06511	8.5
183.08035	6.8
185.06029	3.4
185.13200	4.1
186.03094	6.4
187.03979	7.0
187.07571	17.0
187.14809	8.1
189.09099	95.8
190.02562	3.5
191.08553	8.6
193.06540	6.0
193.10065	5.9
194.07195	3.7
195.08035	11.3
197.05972	28.8
197.09647	4.5
198.06772	6.6
199.07564	7.5
201.09082	12.6
203.08691	5.8
205.06392	4.1
205.14264	3.2
205.15860	20.6
206.07343	4.6
207.08061	8.4
209.09654	7.2
210.06734	13.0
211.07529	30.5
213.05479	5.1
213.09192	9.2
215.07019	70.1
215.10544	4.1
219.08028	7.1
221.09683	6.9
223.07539	9.4
224.08368	6.9
225.05565	6.4
225.09058	14.2
226.09953	4.8
227.10712	7.9
229.08554	4.5
233.07903	21.3
235.07629	5.0
236.08351	3.7
237.09129	11.0
238.09854	4.3
239.07072	5.8
239.10666	9.2
241.08624	6.1
247.07597	4.9
247.11438	3.3
251.10634	8.1
253.08572	12.3
253.12294	10.2
261.09045	4.8
263.06900	3.6
267.10175	8.4
267.13776	3.1
273.18530	6.8
275.10672	5.6
275.20062	10.5
279.09973	5.7
289.12152	5.3
293.11429	4.4
307.13373	6.3
349.27567	3.3
385.38702	3.0
391.22440	10.5
401.21213	11.0
409.23752	12.9
419.22150	55.7
437.23120	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01871	8.0
55.05514	26.6
55.48317	2.6
56.96562	8.3
57.03432	2.8
57.25225	2.6
59.04976	3.2
61.02915	2.5
65.03928	4.9
67.05505	57.7
69.03085	2.4
69.03423	12.3
69.07079	21.7
69.68623	2.6
71.01363	3.1
71.04995	5.7
71.58498	3.6
77.03918	2.5
79.05060	3.9
79.05494	47.5
79.26219	2.2
81.03413	13.6
81.07056	48.3
83.04961	6.4
83.08622	8.7
85.02906	10.0
91.05480	67.0
93.07040	48.4
93.83202	2.3
95.04959	19.9
95.08601	43.1
97.02894	7.0
97.06523	8.2
97.10177	5.6
98.57277	2.4
99.04427	3.3
103.05460	5.3
105.03392	2.6
105.07024	42.6
107.04943	20.3
107.08587	32.0
109.02845	3.1
109.06508	9.4
109.10155	28.5
111.04468	2.9
115.05447	18.1
116.98652	3.0
117.07028	19.5
119.04971	3.1
119.08588	27.1
121.06505	8.7
121.10130	20.5
123.04423	21.2
123.08083	6.6
123.11700	6.1
125.09628	4.6
127.03902	5.6
128.06224	11.4
129.07011	18.7
131.04938	11.6
131.08566	32.7
133.06505	7.3
133.10133	20.8
135.08023	7.5
135.11688	9.2
137.02350	8.4
137.05962	4.8
137.09633	4.8
139.11171	3.1
141.06998	25.5
143.04895	3.3
143.08545	23.5
144.05647	2.4
145.06499	9.8
145.10107	18.6
147.03210	6.0
147.04402	92.9
147.08032	15.2
147.11694	9.3
149.05975	9.6
149.09605	5.5
151.03886	2.8
152.06180	3.4
153.06990	8.8
155.06046	2.7
155.08571	9.9
157.06488	8.1
157.10115	8.9
159.04385	3.7
159.08067	9.3
159.11728	8.9
160.05197	21.6
161.05980	82.9
161.13222	4.4
162.06276	3.0
163.03932	5.0
163.07544	9.9
163.11160	5.2
165.05670	2.9
165.06953	14.7
165.12750	2.5
167.08531	5.4
167.93732	2.9
168.05679	2.8
169.06496	16.2
169.10060	5.2
171.08069	15.4
171.11754	7.8
173.05988	77.6
173.09645	3.9
173.13187	2.5
174.06747	2.6
175.03912	12.9
175.07552	14.8
175.11145	3.2
177.05492	5.6
177.09143	2.2
178.07805	2.8
179.08522	9.5
180.05669	3.0
181.06511	7.9
181.10156	4.5
183.08051	7.9
183.11719	3.0
185.06046	5.1
185.09502	2.9
186.03085	3.7
186.06737	2.9
187.03920	4.6
187.07527	30.5
187.14798	6.7
189.05531	6.3
189.09111	100.0
190.09332	3.0
191.08569	3.9
193.06506	3.9
193.10199	5.1
195.06499	2.6
195.08047	9.2
195.11728	4.2
197.06018	26.5
197.13228	2.6
198.06844	8.0
199.07547	17.6
201.05544	5.5
201.09106	23.6
203.03450	3.5
205.15866	22.8
207.08047	6.4
209.09677	6.0
210.06766	7.4
211.07550	30.0
211.11154	3.0
212.08098	4.0
213.05528	3.5
213.09149	9.4
215.06999	71.4
215.10532	4.0
217.05063	4.3
217.08578	10.4
219.08093	6.3
220.08615	2.9
221.04419	3.5
221.09671	4.7
223.07555	6.7
224.08333	4.2
225.05545	5.3
225.09087	12.0
227.07022	7.8
227.10681	5.6
229.08614	18.2
231.08247	3.3
233.07986	26.2
235.07477	5.2
235.11226	4.8
237.05447	3.0
237.09029	8.7
239.06989	5.8
239.10652	8.7
241.08574	3.7
247.07599	6.9
247.11153	3.0
248.08365	3.4
249.09074	2.8
251.07071	5.1
251.10655	5.7
253.08690	6.7
253.12257	6.8
254.09357	3.4
261.09036	8.4
264.07913	3.2
265.08606	4.9
265.12234	4.7
267.09189	4.9
273.11447	3.2
273.18561	7.1
275.10669	9.2
275.20029	10.8
277.12234	5.2
279.06589	4.6
279.10165	3.7
284.08481	3.5
285.10101	21.8
287.07065	3.2
289.08725	2.9
289.12045	3.6
291.10284	2.7
293.07980	6.9
293.11499	3.3
293.21054	4.4
299.10504	4.2
301.08698	4.5
301.11920	3.5
305.93619	2.7
316.07269	5.1
317.07935	4.2
319.09714	7.5
324.11740	3.9
327.10208	5.8
335.09058	7.7
344.06644	4.3
345.11234	6.6
347.09018	6.2
349.07095	4.0
363.12222	7.3
373.10690	10.3
391.11810	37.1
391.22748	6.1
392.12332	6.3
401.21271	8.7
409.23639	10.2
419.11307	14.7
419.22165	33.3
437.12555	4.4
437.23096	28.9
437.34024	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01723	2.0
69.03413	7.7
70.06623	2.2
71.57088	3.4
73.52866	2.0
74.37657	2.2
81.03401	4.7
85.02889	7.8
87.04464	5.1
89.27837	2.5
95.04932	4.0
97.02874	7.6
107.04949	100.0
115.03924	5.3
121.06536	2.3
123.04427	2.4
127.03882	2.6
133.04994	5.6
133.90831	2.0
138.05489	18.4
163.03860	10.3
213.89441	2.3
237.02730	2.4
274.24814	2.3
352.73788	2.2
418.11298	4.4
436.12283	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01857	3.3
55.05514	3.5
57.03419	6.9
61.02939	4.7
67.05505	3.7
69.03423	17.4
69.07056	4.8
70.06593	5.1
70.70796	7.0
70.71192	6.2
71.04987	5.2
73.02927	6.6
79.05494	21.6
81.03412	16.3
81.07053	15.8
85.02898	50.0
86.09695	7.0
87.00835	22.1
87.04442	3.0
91.05469	9.2
93.07044	49.4
95.04951	9.2
95.08612	25.5
97.02888	29.7
97.06518	3.0
99.04454	9.7
105.01873	27.4
105.07013	5.3
107.04950	4.5
107.08595	43.4
108.08941	3.2
109.02858	20.0
109.06509	3.3
109.10185	3.7
120.08131	4.3
127.03912	38.7
135.11688	100.0
137.13220	3.9
145.04959	19.9
153.12718	6.4
159.02908	9.3
167.07115	4.3
181.04967	3.7
181.08601	3.7
205.78299	3.2
231.04950	11.8
249.10107	2.6
304.05450	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13491	3.5
53.03946	7.2
55.01859	10.7
57.03425	6.1
61.02913	13.6
62.06072	10.8
63.91005	3.9
65.03944	5.1
69.03423	40.0
70.06572	4.3
71.00977	6.6
71.01338	8.1
71.04971	8.4
73.02905	11.9
74.43872	4.0
79.05499	6.1
81.03419	34.3
81.07043	4.4
85.02900	100.0
87.00823	39.5
91.03973	5.4
94.11552	3.4
95.04969	4.0
97.02883	37.3
98.97549	4.2
99.04455	20.3
105.01857	33.2
107.04954	13.6
108.04468	6.1
109.02884	35.7
111.04440	15.0
117.01842	5.5
124.03932	5.3
124.07600	7.6
126.05524	5.7
127.03907	61.7
129.01833	7.3
135.04443	6.7
135.77298	3.6
138.05542	7.5
139.03906	45.4
140.47131	3.4
145.04967	27.6
147.02905	7.4
149.09619	6.9
151.07538	14.2
153.05481	8.0
159.02927	26.0
163.03839	20.4
164.06949	4.3
171.06503	73.1
177.09099	5.5
181.04926	12.2
189.04008	5.4
195.06514	24.6
210.08717	3.8
213.07520	19.9
213.11227	4.6
231.05058	10.6
237.07596	13.6
261.07562	14.0
265.76440	3.9
279.08640	17.3
320.28378	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03941	3.4
55.01856	0.7
57.03413	1.1
61.02910	0.6
65.03934	1.2
69.03424	9.5
69.07061	1.1
70.06583	3.1
70.86414	0.8
70.86746	1.4
71.04978	1.1
72.08152	1.1
73.02901	1.0
74.06055	0.8
78.03445	14.1
79.05476	0.9
80.04999	2.7
81.02932	0.8
81.03413	14.6
81.07037	1.1
84.08143	1.0
85.02896	8.6
86.09705	2.3
91.05478	1.3
93.07015	0.9
95.04955	2.9
96.04485	8.1
97.02881	5.2
99.04470	3.5
105.07039	1.2
106.02907	64.0
107.03255	1.0
107.04922	1.4
107.08611	1.0
109.02875	12.0
109.06496	0.9
119.07311	0.8
119.08607	1.0
120.08124	0.7
121.02860	8.1
123.04421	5.3
124.03947	100.0
125.04283	1.5
127.03915	5.9
135.04373	0.7
135.11708	1.0
136.03932	6.0
145.04936	0.9
147.04385	0.9
151.03908	2.8
154.05005	1.8
166.04988	1.2
181.04988	1.2
208.06049	1.3
221.11691	1.3
228.10262	1.1
232.06120	1.6
239.12859	0.9
250.07089	24.8
251.07428	0.9
265.11670	0.8
268.08136	31.2
269.08521	1.0
274.10739	1.2
377.14474	1.1
392.13882	0.7
418.11246	7.4
432.11273	0.8
436.12375	14.2
436.21976	1.0
437.12982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84895	19.0
53.23714	18.0
55.05507	24.3
57.07071	50.9
67.05497	68.9
69.07076	47.7
70.64953	19.0
70.65297	70.5
71.08633	41.0
79.05495	36.5
81.07060	95.9
83.08640	39.1
91.05470	60.5
93.07034	37.1
95.04942	19.7
95.08600	93.5
95.96661	17.6
98.98461	23.3
105.07022	42.2
107.08588	52.1
109.06519	33.1
109.10160	58.2
119.08597	53.3
121.06548	26.2
121.10180	25.6
123.11694	23.2
131.08592	28.0
133.10208	24.8
135.08043	20.1
137.05969	100.0
140.99498	45.2
145.10153	35.7
159.11728	23.6
173.02080	23.1
175.07602	30.0
176.07935	20.5
176.16515	19.6
177.09178	96.9
191.10587	20.9
197.02162	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.0
55.01861	14.9
55.05509	48.2
57.03425	9.4
57.07066	3.8
65.03926	12.3
67.05501	95.6
69.03425	8.4
69.07064	36.7
71.04988	4.8
71.58093	4.6
79.05489	100.0
81.03419	7.7
81.07043	65.7
82.04184	4.8
83.04978	8.2
83.08611	10.8
89.03889	6.9
91.04898	4.6
91.05475	95.6
93.07040	81.8
95.04976	33.0
95.08595	49.2
97.06542	10.6
97.10136	9.4
103.05459	9.6
104.06219	4.8
105.03379	6.9
105.07019	59.4
107.04950	29.4
107.08586	41.6
108.05746	3.8
109.06509	10.2
109.10142	26.1
111.08126	3.5
115.05443	13.2
117.03332	4.1
117.07007	44.0
118.04135	3.8
118.07809	6.6
119.04910	7.9
119.08572	42.5
121.02872	3.1
121.06507	16.1
121.10114	22.2
123.04420	5.1
123.08048	10.4
123.11688	4.1
125.09622	7.9
128.06233	13.0
129.06985	34.6
130.07762	4.5
131.04912	8.1
131.08566	50.7
132.09335	6.1
133.02856	14.6
133.06485	19.1
133.10135	24.6
135.08028	18.4
135.11665	11.3
137.09581	7.0
141.06981	11.9
142.07820	5.6
143.04942	4.9
143.08543	26.7
144.09273	6.8
145.02847	5.4
145.06505	9.9
145.10103	43.6
146.03595	6.2
146.10869	15.2
147.04366	14.2
147.08032	18.0
147.11684	13.2
149.06029	5.0
149.09593	10.4
151.11186	3.5
152.06177	9.8
153.06961	14.2
153.09111	11.9
155.08530	9.0
157.06471	10.2
157.10114	25.7
159.04420	12.5
159.08028	10.1
159.11673	23.1
160.12416	4.8
161.02342	21.7
161.05977	4.9
161.09596	16.6
161.13271	4.5
162.03137	6.8
163.03900	43.3
163.11200	7.9
165.07011	11.0
169.10178	8.3
171.04414	7.9
171.08011	7.8
171.11742	16.2
173.02338	41.1
173.06009	10.6
173.13290	7.2
175.03914	5.2
175.11171	12.5
179.08556	5.9
181.06468	20.1
181.10124	5.8
183.07996	11.0
185.05914	8.2
185.09605	7.4
185.13254	10.4
187.03888	10.8
187.11099	5.2
189.05553	5.5
189.12706	8.2
195.08035	9.6
195.11575	4.7
197.05962	14.1
197.09584	5.6
198.03033	3.6
199.03888	33.8
199.07588	8.1
199.11082	4.6
201.05409	7.3
203.07048	6.8
205.06534	4.0
205.12151	5.1
209.05910	5.9
211.07457	8.3
213.05482	10.9
213.16322	4.5
221.05882	4.2
221.09654	5.9
223.03934	5.8
223.07484	6.1
224.04599	4.3
224.08203	3.7
225.05424	19.7
227.06944	9.7
227.17946	3.7
236.04683	8.7
237.05444	62.7
237.09053	4.7
238.06181	48.8
239.06822	9.4
245.19072	7.8
247.07689	3.9
249.05365	19.4
249.09178	5.0
250.06203	7.7
251.07019	39.5
251.09773	3.6
251.10564	3.2
252.07683	4.4
253.08557	6.2
253.12169	5.5
255.17386	7.1
263.07034	18.5
263.48221	3.4
265.08588	9.2
267.06531	7.3
267.10211	6.1
269.11789	3.7
273.18491	23.0
274.19238	7.0
275.19983	4.9
276.07773	4.1
277.08643	17.2
279.10083	8.1
281.11737	5.3
291.10098	9.0
293.11636	10.5
305.11713	8.5
305.15268	5.8
309.14865	4.0
311.13007	4.4
315.12216	4.7
319.13239	42.1
321.15088	4.1
347.12875	4.8
349.14301	4.8
366.14645	7.8
367.15491	8.0
389.21323	6.9
391.22717	10.5
399.19522	9.4
407.22086	11.8
417.20584	83.7
418.20880	7.1
435.21628	95.5
435.27078	7.3
436.21881	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
51.77014	1.6
53.03943	2.3
55.01877	2.9
55.05500	3.4
57.98999	1.7
58.27961	1.5
65.03934	7.9
65.04240	1.5
67.05491	7.2
69.03417	7.6
69.07046	4.3
71.04997	2.6
71.57837	1.7
71.58255	2.4
78.21235	1.8
79.05495	11.3
81.03410	7.9
81.07048	9.3
82.04184	2.6
85.02902	12.9
91.05499	9.8
93.03365	2.1
93.07047	8.0
95.04971	6.1
95.08603	5.0
97.02897	5.3
97.06520	7.0
103.05494	2.4
105.01856	2.6
105.07021	6.6
107.04952	20.4
107.08599	4.0
109.02880	3.9
109.10160	4.5
110.03696	2.5
111.04413	4.2
115.05453	6.6
117.07030	7.1
119.04958	2.8
119.08573	4.1
121.06535	3.6
121.10126	3.4
123.04412	5.7
124.05218	5.0
125.05972	5.6
127.03896	8.6
128.06212	3.5
129.07027	3.1
131.04926	4.1
131.08549	4.1
133.06493	4.3
133.10150	3.2
135.11676	3.8
137.02412	2.0
137.05969	5.0
138.03102	3.2
141.06947	3.8
142.02634	2.5
144.05737	4.7
145.06458	8.7
145.10103	3.2
147.04445	9.8
149.05971	4.3
153.01807	11.6
157.06522	3.5
159.08049	4.6
159.11703	1.9
160.05180	2.0
161.05983	6.7
163.03929	2.2
165.05530	2.5
167.07042	54.3
169.10165	1.6
171.06506	7.0
171.07826	1.8
172.05232	12.3
173.05989	7.3
175.07579	3.7
177.05447	3.8
177.09149	1.8
181.04950	100.0
187.07549	9.3
187.11235	2.2
189.05490	2.7
191.06975	2.7
195.02882	2.0
200.04648	7.1
201.05473	5.9
203.06863	1.7
205.08592	5.3
206.05800	2.5
207.08197	1.9
209.08189	4.0
217.08652	3.1
218.05704	8.3
219.06390	2.0
219.10133	4.8
221.08092	7.4
231.06561	2.6
233.08073	71.2
235.09647	3.5
245.08008	3.9
251.09146	2.9
252.62433	1.7
263.09225	12.8
273.07654	15.1
307.09650	1.8
355.11755	4.2
361.10342	2.2
367.11749	3.8
384.12006	1.9
387.14349	6.9
399.14407	4.9
417.15466	37.2
435.14102	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1644
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
52.38051	2.0
52.71661	2.2
53.03930	3.4
54.65420	2.1
55.05493	3.9
57.03417	4.2
64.45303	2.1
65.03926	7.8
67.05504	7.0
69.03424	13.6
69.07069	6.3
70.06592	6.9
70.61823	7.1
71.04981	3.1
72.08150	4.2
79.05491	20.1
81.03415	9.4
81.07048	8.9
82.04211	2.7
83.04973	2.5
85.02895	19.0
85.06591	2.6
86.09709	7.3
87.00816	2.4
91.05485	10.7
93.07036	9.3
95.04984	6.4
97.02892	7.0
97.06506	4.5
99.04433	3.0
103.05468	5.0
105.07027	8.1
107.04941	24.3
107.08587	6.4
109.02877	7.0
109.06543	4.9
109.10159	4.5
111.04421	5.7
115.05482	9.5
117.07015	11.2
119.04922	3.2
119.08595	4.3
120.08075	2.4
121.10146	4.2
122.03644	3.6
123.04426	5.8
123.11706	2.7
124.05209	5.4
125.05946	6.4
127.03926	7.9
129.06937	3.8
131.04929	5.1
131.08539	5.0
132.05719	2.8
133.06487	9.7
133.10144	4.3
135.11679	6.9
136.07544	2.6
137.02319	8.7
137.05994	6.4
139.73132	2.1
143.04895	4.8
144.05698	6.9
145.04990	3.2
145.05293	3.6
145.06459	25.1
147.04440	4.9
147.08043	4.0
149.05983	2.4
151.03864	5.7
151.11188	3.0
152.04663	2.7
155.04817	2.7
155.05989	5.5
157.06482	6.8
159.04427	2.8
159.08043	3.2
161.05931	15.2
163.07607	3.7
167.07034	82.2
169.12224	6.6
171.06508	5.2
172.05185	13.2
173.06000	10.1
175.07491	6.9
175.27753	2.1
177.05507	3.6
179.06808	2.6
181.04947	73.7
187.07483	12.6
189.05487	11.0
190.06270	3.7
191.07002	3.8
199.07372	3.8
201.05476	9.2
203.06956	2.8
205.08647	10.8
206.05736	5.6
207.06459	2.6
207.10141	4.1
216.10062	2.5
217.08572	3.0
218.05638	19.0
219.06396	4.1
221.07973	17.8
233.08055	100.0
235.09575	5.1
243.08784	24.5
244.09549	52.5
245.07993	2.8
251.09181	9.9
263.09149	17.9
285.11624	2.2
295.09583	2.5
303.04883	3.9
331.08215	5.0
339.12210	3.8
346.10422	2.6
355.11887	4.2
367.11786	6.6
371.15125	3.6
373.12772	3.0
378.15265	16.9
379.15970	19.3
381.13483	3.2
387.14331	6.6
399.14529	5.8
405.15195	3.0
417.15402	88.4
418.16000	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	Lecontin
Peak:m/z	Relative Intensity
53.03957	0.4
55.01865	0.4
55.05509	0.7
57.03438	0.4
62.51181	0.3
65.03937	0.5
67.05504	1.5
68.99787	0.4
69.03429	1.6
69.07066	0.8
70.06593	0.4
70.71885	0.6
71.04984	0.6
79.05482	1.1
81.03410	3.3
81.07053	1.9
83.04948	0.4
83.08633	0.3
85.02919	1.6
85.06586	0.4
86.09714	0.5
87.00842	0.5
91.05466	1.3
92.19962	0.3
93.07044	1.5
95.04958	0.7
95.08616	2.0
95.66820	0.3
97.02902	1.3
97.06547	2.3
99.08121	0.4
105.01859	0.5
105.07025	1.0
106.04156	0.3
107.04957	1.1
107.08595	1.9
108.59235	0.3
109.02874	1.0
109.06522	0.7
109.10164	1.8
111.04480	0.4
115.05492	0.4
117.07010	0.4
119.04967	0.3
119.08604	0.9
120.08124	0.3
121.06461	0.4
121.10156	0.7
123.08090	0.3
123.11725	0.7
124.12087	0.4
125.06035	0.4
127.03917	1.6
129.06963	0.4
131.08524	0.6
133.06511	0.3
133.10136	0.9
135.08057	0.5
135.11688	1.9
137.02338	100.0
138.02664	1.6
143.08522	0.6
145.04915	0.3
145.06506	0.7
145.10146	0.5
147.04401	0.4
147.11679	0.5
149.05988	0.5
149.09572	0.4
151.11166	0.3
153.12740	1.2
156.85406	0.3
157.10135	0.4
159.11716	0.6
161.06006	0.5
163.07516	0.5
167.07047	2.1
169.12265	0.4
171.11757	0.5
171.13853	1.6
171.56995	0.3
172.05133	0.5
173.06006	0.4
177.05481	0.5
177.09183	0.4
181.04967	4.0
181.08563	0.3
187.07582	0.3
191.07076	0.5
201.05377	0.3
220.40453	0.3
221.07974	0.4
233.08040	2.4
235.07559	0.4
255.06480	0.6
255.11203	0.6
263.06854	0.3
263.09305	0.3
263.52548	0.4
271.09613	0.3
273.07571	9.2
273.12134	0.5
273.18625	0.3
306.71506	0.3
345.11026	0.3
381.13940	0.3
387.14352	0.5
417.15366	1.2
435.13696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.7
54.49701	0.9
55.01867	5.5
55.05499	6.5
57.03431	2.3
65.03920	3.0
67.05499	7.7
69.03423	8.0
69.07072	6.7
71.04967	2.4
71.57683	1.9
73.81866	1.0
79.03722	0.9
79.05485	8.7
81.03397	5.9
81.07057	11.4
83.04987	2.9
83.08615	1.8
85.02920	5.2
91.05486	8.9
93.07035	13.0
95.04971	5.6
95.08601	7.9
97.02889	4.3
97.06537	7.3
97.10178	2.4
99.04433	2.6
99.08053	1.3
103.05446	1.6
105.03394	1.1
105.07018	9.6
107.04947	8.6
107.08568	7.6
109.02884	5.8
109.06515	3.8
109.10155	4.9
111.04444	5.5
111.08076	1.3
117.07005	3.7
119.01815	1.3
119.08588	6.7
121.06495	4.5
121.10128	4.2
123.04436	2.7
123.08055	2.7
123.11686	2.8
125.02347	8.0
125.06020	2.5
125.09649	2.5
127.03924	9.9
129.07011	2.4
131.04918	1.6
131.08568	5.7
133.06480	3.7
133.10104	5.6
135.04440	1.3
135.08051	5.1
135.11655	2.1
137.02281	1.6
137.05934	2.8
137.09604	1.8
139.11101	1.5
141.06963	1.2
143.08568	2.5
145.06471	4.1
145.10118	4.2
147.04341	1.4
147.08043	2.2
147.11667	3.7
149.05977	3.2
149.09593	1.8
151.07414	1.2
153.09064	2.0
157.06519	1.7
157.10112	3.5
159.08035	1.9
159.11665	2.7
161.05962	3.3
161.09566	2.4
161.13228	1.2
163.03954	1.4
163.07518	2.0
167.03212	1.5
167.07040	12.9
169.10081	1.4
171.06584	1.9
171.11696	2.4
172.05141	3.1
173.06003	1.5
173.13345	1.2
175.07501	2.1
175.11195	3.1
177.05466	2.2
177.09068	1.2
181.04955	17.5
181.08455	2.4
185.04175	1.0
186.06557	1.2
187.07558	3.7
189.05562	1.3
191.07025	1.8
193.12215	2.1
196.12318	1.1
196.85933	1.1
199.11163	2.1
199.14935	1.3
205.08743	1.3
208.05855	1.4
209.08078	3.4
217.08633	1.4
218.05630	1.3
227.05225	2.8
233.08051	13.1
258.51324	1.1
261.11221	1.3
263.09213	2.2
271.04199	3.9
273.18433	4.7
287.67285	1.1
291.19577	4.2
295.06140	1.2
315.19370	1.4
334.09006	1.8
349.12598	8.4
373.12515	2.2
387.14569	1.5
391.13602	55.3
392.14017	3.1
399.25647	1.5
417.15390	8.1
417.21732	1.7
435.12598	100.0
435.23746	7.7
436.12961	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
55.32836	1.6
57.03183	2.4
57.03434	26.5
59.04997	1.7
61.02931	9.4
61.81646	1.7
69.03426	51.5
69.49828	12.8
71.01350	2.3
73.02914	31.9
81.03428	8.3
84.08147	1.8
85.02899	100.0
87.04471	28.0
91.03945	5.0
91.05446	3.2
95.04990	1.7
97.02891	59.2
97.03519	2.9
99.04437	4.0
105.07014	6.4
109.02871	4.8
111.04426	2.0
115.03930	54.9
127.03903	26.4
133.04964	49.3
145.04945	43.3
147.08008	3.2
150.07581	6.4
163.05981	14.6
167.07092	2.3
181.04965	4.7
201.09146	3.4
219.10201	2.4
219.65399	1.7
223.05946	2.8
233.08060	1.8
241.07048	3.2
259.08167	3.4
295.10193	2.2
315.28638	2.0
374.28656	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
57.03156	1.1
57.03436	22.5
59.05001	5.0
60.04515	2.4
61.02920	6.0
65.03918	1.4
67.05502	1.9
69.03428	68.9
70.06589	1.8
71.01344	1.5
71.04990	2.6
71.42181	1.5
73.02913	14.8
75.04473	3.3
77.31310	1.1
78.05598	1.2
78.77531	0.8
79.05484	1.9
81.03428	5.9
84.04484	1.3
84.08134	1.4
85.02902	100.0
86.03220	0.9
86.09719	1.0
87.04466	45.3
91.03945	3.3
91.05466	2.0
97.02887	65.2
97.06520	1.1
97.40086	0.9
99.04459	4.3
101.02369	0.9
105.07028	8.7
107.04966	2.6
109.02869	6.5
111.04455	1.1
115.03925	87.9
117.06996	0.9
119.08539	1.0
123.04391	1.5
127.03913	21.4
127.46090	0.9
129.06992	1.3
133.04961	84.3
134.07910	1.0
145.04956	37.1
147.08060	1.0
150.07613	13.2
151.03874	1.5
157.05000	0.9
157.06310	1.0
159.08038	1.2
163.06003	14.6
167.07048	3.4
169.04932	1.4
171.08180	1.4
172.05231	1.4
181.04950	10.1
189.09070	1.6
201.09129	1.8
219.10159	1.6
223.05942	1.0
233.08083	5.5
241.07045	2.7
249.11250	1.5
259.08173	3.2
276.43530	1.0
277.09283	1.7
284.27118	1.1
285.13202	2.5
295.10196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
58.12750	0.7
58.99582	1.0
61.02921	0.8
67.05498	2.7
69.03420	2.7
69.46725	0.6
69.86518	3.8
70.06594	0.7
72.08144	1.0
76.02227	1.1
79.05486	1.1
81.03443	1.6
83.04990	0.8
84.04489	1.2
85.02905	5.3
86.09723	0.8
93.07011	1.2
95.08619	3.9
97.02886	2.2
100.02190	2.0
105.07040	1.9
113.27437	0.7
115.93747	0.7
122.02746	7.0
123.04442	1.0
123.08064	6.4
123.17790	0.7
127.03893	1.6
128.07121	0.8
138.05502	1.1
145.04962	1.0
146.02721	1.3
151.07547	100.0
152.07884	1.6
163.03918	1.7
164.03821	0.7
165.45227	0.7
187.88496	0.8
210.14816	1.0
230.21590	0.8
254.17497	1.3
268.48663	0.8
272.06802	0.7
272.09604	4.5
272.18723	2.4
284.08041	4.0
379.60550	0.7
434.17148	5.4
434.23813	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.7
67.05500	0.9
69.03420	1.6
69.07059	1.2
70.06590	0.9
71.57315	0.8
77.56235	0.5
79.05483	1.5
80.06258	0.6
81.03399	1.6
81.07046	1.9
82.07367	0.6
84.04488	0.6
85.02905	3.5
86.09692	0.8
87.00813	0.8
91.05483	2.0
93.07050	0.9
95.04969	1.3
95.08587	0.8
97.02883	1.9
105.01889	0.6
105.07022	1.3
107.04964	5.9
107.08596	1.5
108.05744	2.7
108.23463	0.6
109.02861	1.6
109.06525	1.4
109.10139	0.7
111.08041	0.7
111.59365	0.5
117.06938	0.6
120.08071	0.7
121.06490	1.0
121.10134	0.8
123.11722	0.9
124.19331	0.8
125.05981	1.3
126.06296	0.8
127.03894	1.6
133.10120	0.9
135.04433	2.8
136.05144	1.5
137.02312	3.0
138.02669	0.9
145.04968	0.8
151.07535	100.0
152.07854	1.9
152.09030	0.5
153.05457	2.9
154.05923	2.3
168.08093	0.7
185.08102	4.0
186.08394	2.8
231.05002	0.8
271.06018	4.3
272.06335	9.5
272.09262	0.7
392.18259	0.6
434.22064	1.1
434.27509	1.2
435.21597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.3
55.05509	16.4
57.03450	16.0
66.22385	3.0
67.05172	5.6
67.05510	61.2
69.07078	18.2
70.05923	6.7
70.06332	10.4
71.83380	3.2
75.96044	2.7
79.05497	35.0
81.07064	71.7
83.08624	10.5
86.09720	3.0
91.05485	20.4
93.07062	45.8
95.04987	4.9
95.08617	53.9
96.29745	2.7
97.06564	5.1
97.10143	2.8
98.98476	100.0
105.07048	13.6
107.08605	32.9
109.06505	3.2
109.10166	26.1
116.99504	3.5
117.07047	7.2
119.08600	14.6
121.06477	3.3
121.10174	24.6
123.11727	12.7
131.08585	11.3
133.10143	13.3
135.11731	19.2
137.00018	6.0
137.13187	4.7
140.01212	2.9
145.10144	12.0
147.11693	11.0
149.13316	13.4
155.01060	12.6
157.75307	3.4
159.11707	8.3
161.13304	6.5
163.14838	3.8
173.02159	16.6
173.13255	8.6
175.14952	3.1
185.09662	2.9
187.14874	6.4
211.03734	5.4
233.70293	3.5
243.21146	10.6
261.22137	41.3
265.05005	7.6
291.12683	3.0
297.24490	3.4
317.24786	8.9
335.25818	79.3
336.26395	4.4
433.28854	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05513	15.5
57.03451	11.7
57.07055	4.1
67.05508	58.5
69.07067	11.6
69.43264	22.3
79.05495	35.2
79.63373	2.4
81.07060	66.6
83.08624	8.1
91.05488	16.6
93.07047	41.6
95.04973	2.6
95.08607	47.3
97.10197	3.3
98.98470	100.0
105.07050	16.6
107.08591	31.7
109.10162	26.2
116.99512	3.2
117.07008	7.1
119.08578	14.4
121.10146	24.1
123.08076	2.5
123.11713	11.9
131.08548	13.8
133.10144	14.1
135.11685	16.1
137.13239	4.1
143.71477	2.3
145.10130	9.1
147.11676	9.1
149.13278	10.4
155.00998	12.8
159.11728	9.8
161.13281	6.6
163.14832	8.1
168.99724	2.3
173.02147	18.0
173.13297	9.2
175.14856	4.1
187.14775	5.2
211.03674	2.5
215.07080	2.5
233.22638	2.4
243.21068	17.6
248.30449	2.5
261.22165	50.4
266.34305	2.6
317.24716	7.9
335.25800	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.05511	15.2
57.03439	8.2
57.07057	3.7
58.57907	2.4
59.41877	2.7
59.58293	2.9
67.05502	45.4
69.07066	14.4
71.58422	6.9
71.58817	4.1
79.05489	33.8
80.23606	3.2
81.07051	55.6
83.08614	7.5
91.05456	18.4
93.07043	38.5
95.04965	2.9
95.08610	39.7
97.10181	3.3
98.98464	100.0
105.07014	20.7
107.08598	23.9
109.10130	19.5
111.90826	3.0
116.99499	4.9
117.07021	4.9
118.01402	3.0
119.08577	15.7
121.10145	20.1
123.11713	11.9
131.08569	14.5
131.60707	3.7
133.10112	13.5
135.11685	19.1
137.09557	4.6
138.14607	3.4
140.99478	7.6
145.10129	11.1
147.11681	8.5
149.13255	7.3
155.01045	17.7
157.10027	3.1
159.11705	6.8
161.13269	5.0
163.14798	8.7
173.02095	17.0
173.13252	8.4
175.14848	4.6
187.14783	3.9
197.02119	8.7
233.22685	3.3
243.21089	12.5
261.22110	63.0
310.41980	3.1
317.24854	5.8
335.25870	37.6
415.22418	6.2
442.50433	3.7
450.10278	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62307	1.9
52.39469	1.6
53.03934	5.3
54.34477	1.5
55.01864	8.1
55.05506	22.2
56.81225	1.8
57.03425	4.6
57.07059	3.4
57.65066	1.6
61.02924	2.7
65.03932	6.5
67.01866	2.6
67.05502	38.5
69.03428	9.4
69.07059	17.3
71.04983	3.0
71.31565	4.5
77.30564	2.0
79.05485	37.6
81.03414	5.4
81.07051	36.4
83.01353	2.1
83.04962	7.0
83.08614	8.3
85.02895	12.7
85.06538	2.1
91.05476	78.5
93.03400	2.5
93.07032	33.6
95.01324	29.8
95.04943	13.2
95.08604	25.0
97.02871	5.2
97.06536	6.8
97.10133	3.1
103.05449	4.8
105.07024	78.8
107.04959	5.5
107.08586	22.4
109.02880	4.2
109.06503	7.3
109.10163	8.7
111.04438	4.3
111.08052	3.6
113.02367	4.9
115.05450	8.0
116.06252	3.4
117.07006	38.1
119.04938	3.0
119.08573	53.3
121.06486	6.0
121.10132	15.9
123.04391	2.7
123.08088	5.0
123.11674	4.0
125.02350	2.0
125.09679	4.3
127.03904	4.5
128.06204	13.1
129.01857	4.9
129.07007	25.1
130.07759	4.1
130.54199	1.8
131.04927	2.6
131.08557	59.5
133.06497	7.2
133.10117	38.6
135.08041	7.2
135.11685	5.9
137.05960	5.1
139.07509	2.1
141.01802	19.4
141.06999	13.4
142.07794	7.7
143.08548	26.6
144.05627	2.1
144.09332	3.2
145.06476	7.7
145.10117	63.4
147.08043	5.8
147.11664	23.6
149.09581	8.4
149.13295	3.0
151.04010	2.4
151.11172	2.4
153.05472	3.9
153.07018	2.9
154.07767	4.2
155.08554	16.8
156.09354	4.3
157.06451	3.9
157.10103	20.6
158.07253	2.2
159.02919	3.8
159.08023	5.0
159.11690	40.9
161.05954	4.1
161.09625	5.3
161.13254	9.1
163.11186	4.6
165.05479	6.2
165.06978	5.1
166.07784	3.5
167.07190	2.1
167.08467	10.0
168.09363	2.6
169.06465	4.2
169.10074	13.7
170.07291	2.2
170.10951	2.0
171.07953	8.4
171.11703	15.1
172.12320	2.1
173.05957	4.0
173.09644	7.4
173.13242	24.1
175.07559	3.3
175.11189	3.8
177.03949	8.5
177.05423	3.5
177.09102	4.7
177.12689	1.9
179.06987	4.4
179.08533	4.2
181.04971	4.5
181.10071	9.6
182.07263	1.8
183.08064	9.0
183.11720	15.8
185.05974	3.5
185.09630	7.9
185.13202	5.0
187.07558	4.6
187.11168	7.3
187.14737	3.4
189.09102	3.1
189.12685	3.2
190.26492	1.8
193.10129	3.4
195.08083	5.0
195.11690	6.4
197.05943	2.6
197.09682	8.6
197.13272	9.9
198.06754	2.0
199.07541	5.7
199.11186	5.7
201.12773	4.3
203.06958	3.1
203.10799	1.9
207.11690	3.0
209.09708	3.1
209.13211	3.4
211.07555	7.9
211.11139	4.5
211.14821	5.0
213.09148	5.3
213.12811	3.4
215.07057	4.2
215.10669	2.2
215.14311	3.2
215.17938	2.6
217.08585	4.5
219.13858	1.9
221.09557	4.5
223.07547	2.4
223.11162	3.0
225.09174	6.1
227.10770	3.5
229.08636	4.1
229.12206	2.3
231.10147	4.2
233.15404	6.4
235.11203	2.9
237.16252	3.5
239.10751	3.9
239.17836	12.1
241.08521	4.2
255.10263	2.4
255.17429	2.6
257.11737	2.5
257.18973	22.8
269.18787	3.2
273.18478	5.7
275.20068	8.9
279.17413	2.4
295.16953	4.8
297.18433	7.0
303.12173	2.8
313.18085	4.2
315.19638	6.0
323.16504	12.0
323.19876	2.8
333.18448	3.2
337.18274	2.2
341.17596	10.5
341.21060	3.0
348.09869	2.0
349.18069	2.6
351.19604	8.0
355.18762	1.8
359.18637	14.8
361.17865	3.1
367.19006	4.2
369.20599	3.7
379.19107	9.6
387.21698	2.7
397.20062	17.3
406.86157	1.9
415.21136	22.0
433.22189	100.0
434.22571	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01861	12.5
55.05513	38.5
57.03422	9.6
59.05002	3.1
65.03929	9.8
67.05172	4.7
67.05505	59.4
69.03419	10.4
69.07066	23.6
70.84120	6.7
71.04996	7.6
77.93085	2.6
79.05490	59.5
81.03412	10.5
81.07056	52.4
81.55042	2.8
83.01347	4.6
83.04963	7.9
83.08605	14.8
85.02914	14.5
85.06542	7.0
91.05482	100.0
93.03421	4.5
93.07042	45.0
95.01352	25.7
95.04981	19.6
95.08608	37.9
97.02882	8.4
97.06548	5.9
97.10178	8.1
99.08088	4.7
100.44655	3.2
103.05450	12.2
103.24244	2.7
105.07029	92.2
107.04948	11.9
107.08609	29.4
109.02883	6.8
109.06510	10.8
109.10152	10.1
111.04441	6.1
111.08086	5.1
113.02346	6.3
114.23402	2.9
115.05458	16.7
117.07014	69.0
119.04950	7.6
119.08582	62.3
121.06493	15.2
121.10143	14.1
123.08047	5.5
123.11668	4.4
125.02381	4.8
125.09614	8.2
127.03930	17.6
128.06227	20.1
129.01848	3.2
129.07016	46.9
130.07755	8.6
131.04887	5.1
131.08569	99.3
133.06499	14.8
133.10130	43.0
135.04420	6.5
135.08047	12.3
135.11649	3.5
137.05968	8.9
138.79779	2.9
139.03886	7.0
141.01823	10.6
141.06993	27.9
142.07802	17.1
143.08540	53.2
144.09335	4.5
145.06528	18.4
145.10124	81.4
147.08052	12.0
147.11685	25.6
149.05959	7.5
149.09602	12.4
149.13231	5.1
151.03859	5.7
151.07535	6.6
153.05470	13.3
153.06950	12.7
154.07762	9.8
155.03514	3.0
155.08554	36.2
156.09242	6.9
157.06511	19.6
157.10127	45.3
158.07295	4.8
159.04372	4.2
159.08058	14.2
159.11679	54.7
161.05997	6.6
161.09642	6.7
161.13251	10.0
163.03877	3.5
163.11230	5.6
165.05482	15.6
165.07007	15.7
166.07736	6.6
167.07187	6.0
167.08600	14.2
168.09230	4.3
169.06496	12.9
169.10109	30.1
171.08052	26.7
171.11662	25.6
173.05930	5.7
173.09663	17.5
173.13287	21.7
175.07587	5.4
175.11273	4.6
177.05476	5.7
177.09071	4.0
177.12753	4.5
179.07037	7.7
179.08546	7.6
180.09297	5.2
181.04904	3.8
181.06438	5.0
181.10069	15.3
183.08054	21.6
183.11662	23.5
185.06050	7.4
185.09630	27.7
185.13290	8.9
187.07526	8.8
187.11201	13.2
187.14726	3.9
189.05435	6.2
189.09111	4.6
189.11247	3.4
189.12770	7.4
191.07042	4.8
193.10161	11.2
194.07262	3.9
195.08049	11.5
195.11702	10.0
197.05925	7.1
197.09590	15.8
197.13252	13.7
199.07516	16.3
199.11217	13.7
201.07512	6.6
201.09161	6.3
201.12769	11.2
203.07057	11.3
203.10683	5.0
205.08621	7.1
209.09644	12.5
209.13190	6.2
211.07556	17.8
211.11208	9.5
211.14787	7.0
213.09065	11.5
213.12758	3.4
215.07054	11.3
215.10645	3.7
215.14316	11.1
217.08591	7.5
221.09550	3.5
221.13235	4.2
223.07487	4.6
223.11255	5.2
223.14818	4.5
225.09192	16.1
225.16580	3.8
227.07007	5.0
227.10745	7.2
227.17921	5.8
229.08615	10.1
229.15884	4.1
231.10153	9.0
233.15353	28.4
235.11224	6.9
237.09128	4.5
237.16449	7.8
239.10745	11.9
239.14290	3.8
239.17982	8.6
241.08569	10.1
241.12340	4.2
243.10236	9.1
249.09178	3.7
249.16397	6.1
251.10809	4.5
251.18053	5.6
253.08560	5.3
255.10167	6.8
255.17502	8.3
257.19080	17.3
259.09567	3.4
267.10193	6.5
267.17480	4.2
269.11859	5.3
269.19095	5.5
273.18549	13.5
275.20059	5.7
279.17462	6.3
281.11682	4.1
285.11349	5.0
289.10739	8.4
291.12335	5.2
295.13834	3.4
295.16733	15.4
297.18539	29.4
305.15326	6.4
309.18304	3.5
313.17764	6.9
315.19614	14.4
323.16431	39.5
323.20029	6.1
325.18030	4.9
331.15897	4.2
333.18448	8.8
337.18024	4.3
339.27524	3.6
341.17429	31.4
341.21112	6.1
349.17740	5.4
351.19727	16.5
353.15799	3.2
355.19034	6.4
359.18497	38.2
361.18018	10.0
367.18973	12.1
369.20639	7.0
370.90610	3.2
379.18951	30.3
387.21725	5.2
397.20059	42.4
415.08167	7.2
415.21078	72.7
433.22165	88.1
434.22626	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2219
Annotation	(-)-Chrolactomycin
Peak:m/z	Relative Intensity
50.51347	4.5
53.03941	7.3
55.01876	30.8
55.05514	36.3
57.03421	6.4
61.64398	4.7
66.10031	4.5
67.05513	49.1
69.03418	14.5
69.06721	6.9
69.07069	76.2
69.36340	54.2
70.53973	4.3
71.04977	8.6
79.05489	49.7
80.06346	5.5
81.03426	10.6
81.07053	73.2
83.04987	11.4
83.08613	14.2
85.02913	7.6
91.05476	61.2
93.03387	5.1
93.07044	68.2
95.01340	24.9
95.04971	19.1
95.08611	32.7
97.06522	15.6
97.10170	10.0
103.05492	5.4
105.03381	11.2
105.07035	44.8
107.04981	16.4
107.08590	22.9
109.06538	13.7
109.10180	12.1
111.08083	6.1
115.05477	7.7
117.06993	28.6
119.08582	19.7
121.06531	8.9
121.10158	28.0
123.04409	6.8
123.08091	11.1
127.06638	4.9
127.09464	4.9
127.10780	5.0
128.06207	12.7
129.07021	32.1
131.04942	7.4
131.08551	37.2
133.06488	16.1
133.10135	18.8
135.08115	6.9
137.05962	7.7
137.09700	7.2
139.11201	16.4
141.01822	5.1
141.06982	11.6
142.07767	10.4
143.08582	29.0
145.06493	20.7
145.10124	30.1
147.04358	6.0
147.08038	12.5
147.11667	7.9
149.05981	6.1
149.09598	9.0
153.05463	7.1
153.06990	4.6
155.08530	20.6
157.06505	17.8
157.10158	23.9
159.04459	9.0
159.08046	14.6
159.11678	11.4
161.06009	9.8
161.09595	10.9
163.03970	8.6
165.06931	7.6
167.08568	13.2
169.06427	5.3
169.10120	17.8
171.08083	15.1
171.11720	12.6
173.06038	11.1
173.09593	11.2
173.13200	11.3
175.03879	13.0
175.07533	5.9
179.08572	8.2
181.06409	8.6
181.10060	11.7
183.08081	13.1
183.11734	11.2
185.05998	7.1
185.09602	31.2
185.13318	8.5
187.07530	10.1
187.11145	9.7
191.33499	5.9
193.10188	5.7
197.09621	13.6
199.07597	6.2
199.11246	10.4
199.15034	5.0
201.09163	14.8
203.10727	11.8
203.12726	10.1
205.16818	4.9
209.09621	8.3
211.11142	10.2
213.05370	5.9
213.09090	13.9
213.38235	4.6
215.10678	9.1
217.08722	6.8
225.09009	5.6
225.12785	5.8
227.07289	5.1
227.10724	14.5
229.08784	6.7
229.12225	11.4
231.10141	9.8
239.10632	6.6
243.10199	6.2
249.11253	8.4
253.12263	5.9
255.10216	6.8
257.11661	6.4
257.34244	5.5
281.11755	13.6
283.16656	6.4
289.10596	10.0
297.18420	5.3
299.20111	9.4
301.14554	7.9
311.19846	6.7
315.19543	15.3
317.13647	6.1
325.18195	11.7
327.19531	12.0
343.19101	12.4
347.14874	13.9
351.19583	24.8
353.21213	11.3
369.20578	66.8
371.22208	17.7
379.18979	21.3
387.21417	24.8
397.20032	56.9
415.21167	100.0
433.22058	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
54.27958	1.2
55.01866	3.9
55.05492	4.3
57.03420	3.0
61.02921	2.6
67.05497	7.4
68.99786	2.7
69.03134	1.6
69.03435	16.8
69.07072	7.0
70.06582	3.2
71.04977	5.3
72.08147	3.5
73.02892	1.8
79.05492	9.2
81.03417	14.2
81.07059	17.4
83.04984	5.8
83.08609	2.6
84.04489	1.8
84.08118	2.2
85.02901	26.8
85.06541	2.9
86.09702	4.7
86.14503	1.4
87.00832	4.6
87.04442	2.3
91.05460	8.0
92.05818	1.4
93.07036	19.0
95.01303	2.6
95.04965	9.6
95.08601	9.3
97.02905	12.5
97.06512	10.0
98.20784	3.6
99.04475	8.3
105.01861	3.1
105.07023	13.6
107.04951	12.1
107.08582	8.1
109.02865	11.2
109.06525	9.2
109.10162	3.3
110.03658	5.6
111.04436	3.3
111.08055	9.1
119.08554	5.6
121.06501	16.1
121.10137	6.6
123.04416	3.9
123.08034	2.3
123.11687	3.3
125.05989	21.7
127.03918	19.3
127.07529	2.4
129.07051	2.2
131.04919	2.0
131.08568	7.5
132.08913	3.8
133.06445	2.5
133.10159	6.6
135.04442	13.1
135.08047	4.5
136.07549	1.7
137.01361	2.5
137.02338	28.8
137.05991	3.4
139.03911	3.3
139.07539	3.9
142.07674	1.8
143.07030	2.4
143.08556	2.5
145.04948	4.5
145.06378	2.3
145.10089	2.6
146.05971	1.7
147.08060	2.7
147.11679	15.2
149.05951	2.1
151.03911	1.9
151.07541	47.6
151.11130	3.6
153.01822	3.5
153.05472	30.4
154.06258	12.9
155.07068	1.8
157.08691	2.7
157.10129	5.2
159.02901	2.6
161.06003	3.2
161.09625	1.7
161.13219	2.1
163.03926	1.7
165.07037	1.7
165.12758	6.7
167.03302	1.6
167.07056	3.6
167.08418	1.9
167.10626	1.7
169.04979	1.6
169.10051	3.1
169.12241	9.6
170.05757	5.5
171.11685	4.6
173.09569	4.2
175.11191	11.7
178.06165	2.2
179.03401	3.7
181.04947	6.6
185.08090	56.2
185.11691	4.1
187.06052	1.7
187.11133	3.5
188.07039	2.5
189.12701	5.6
191.03374	1.5
193.12254	10.8
194.05663	1.7
197.09547	2.9
199.11186	6.5
201.12311	1.8
205.06998	3.0
207.13818	2.7
209.08093	4.5
211.11444	2.2
211.13225	8.7
211.41046	1.5
217.12251	21.8
219.02888	1.8
221.08136	2.1
229.14262	2.6
235.13281	18.4
247.02434	2.3
247.09550	1.5
251.09221	2.8
253.14325	15.4
253.16231	6.4
259.09628	1.7
271.06015	100.0
272.06323	4.4
275.09192	1.8
301.07037	2.8
371.11349	3.9
403.13873	1.9
408.28833	1.5
415.10135	2.4
428.88751	1.6
433.11072	3.2
433.16315	2.3
433.22260	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.5
71.32492	0.4
71.32828	0.6
84.55694	0.4
85.02909	0.8
86.09705	1.6
97.59725	0.4
98.97583	0.6
104.45845	0.5
105.07021	0.6
135.04492	0.5
153.05519	0.4
163.03978	1.0
167.07030	0.4
201.03722	0.6
203.66544	0.4
259.07904	0.8
271.11505	1.7
289.11206	0.6
343.09842	0.5
401.14276	1.2
433.16806	100.0
434.17212	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01871	4.0
55.05502	2.5
61.02923	3.0
61.08350	1.3
67.05512	3.9
67.43969	1.2
68.99803	2.5
69.03432	13.3
69.07075	4.2
69.10712	1.5
70.06584	2.3
71.04990	4.3
71.56773	1.4
71.57215	2.1
72.08148	1.5
73.02909	1.3
79.05489	5.9
81.03421	9.1
81.07063	11.4
83.04976	4.5
84.04503	2.2
84.08145	2.1
85.02899	20.6
85.06525	2.2
86.09709	3.8
87.00827	6.7
91.05474	5.3
93.07033	9.7
95.01328	2.4
95.04968	6.8
95.08616	3.6
97.02895	13.8
97.06536	6.2
99.04448	5.9
105.01839	2.3
105.07032	7.5
107.04959	8.7
107.08596	4.0
109.02882	9.0
109.06520	4.7
110.03661	4.8
111.04435	1.3
111.08092	4.4
117.36157	1.2
119.08574	3.3
121.06503	9.6
121.10139	3.9
123.04401	2.3
125.05997	17.0
125.09631	1.8
127.03910	13.0
131.08585	1.7
133.10141	3.0
135.04431	11.3
135.08080	2.2
137.02328	25.7
137.03284	2.5
137.05966	3.7
139.03877	3.4
139.07536	2.6
145.04939	4.2
145.10101	1.6
147.11688	4.8
151.07536	9.0
153.01828	2.7
153.05464	29.8
154.06250	12.2
155.03419	2.9
157.06537	1.4
157.10115	3.4
159.02859	1.7
161.13237	1.6
165.12814	2.6
167.07065	4.3
167.10660	2.1
169.10139	2.0
169.12254	3.3
170.05724	5.0
171.11644	3.6
173.09595	3.1
175.11209	4.8
178.06221	2.3
179.03448	2.3
181.04991	4.5
185.08092	58.9
185.11664	3.7
187.11188	5.5
189.12767	1.9
193.12250	5.3
194.05759	2.5
197.09714	1.7
199.11177	3.8
209.08113	4.1
211.11424	1.8
211.13321	6.1
217.12218	9.6
221.08057	1.8
227.09190	2.0
229.14403	1.9
235.13286	10.3
236.06775	1.5
253.13870	2.9
253.15938	6.2
271.06009	100.0
271.16986	2.4
272.06299	3.0
275.09155	2.0
347.47437	1.8
371.11383	5.3
403.13956	2.2
415.10019	2.2
433.11240	2.1
433.21732	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.05505	0.3
67.01840	0.3
67.05494	0.5
68.99776	0.4
69.03409	0.5
69.07050	0.2
69.32630	0.2
71.05000	0.2
71.58555	0.3
72.04086	0.2
79.05483	0.5
81.03391	0.4
81.07036	0.7
83.04962	0.2
84.08103	0.2
85.02890	0.7
86.09708	0.4
91.05475	0.8
93.07022	0.6
95.04964	0.4
95.08638	0.4
97.02869	0.5
97.06542	0.5
99.04453	0.2
105.07017	0.5
107.04940	0.5
107.08591	0.4
109.02888	0.3
109.06499	0.3
109.10114	0.4
111.04433	0.3
119.04941	2.0
119.08566	0.3
121.02872	0.9
121.04507	0.2
121.06562	0.3
123.04390	0.3
123.11744	0.3
125.02365	0.2
127.03903	0.4
133.10118	0.4
135.08133	0.2
136.07631	0.3
137.05974	0.3
138.09135	0.3
145.02861	0.4
149.06064	0.2
153.01819	4.5
156.09024	0.2
161.05984	0.4
161.09604	0.2
163.03909	0.4
163.07491	0.2
164.07108	0.4
167.07047	1.2
167.14229	0.2
171.02831	0.6
171.06551	0.2
173.05922	0.2
175.11180	0.3
181.04910	1.4
185.05850	0.2
189.05444	0.6
193.08572	0.3
203.06982	0.3
213.09001	0.2
221.08034	0.2
225.05402	0.3
229.04996	0.2
235.13284	0.3
241.08507	0.4
243.06363	0.4
257.21622	0.2
271.05997	100.0
272.06339	2.6
287.05652	0.2
297.22144	0.2
300.50406	0.2
337.79504	0.2
403.13870	0.4
415.13535	0.2
433.10959	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
53.03951	0.2
55.05507	0.2
61.02916	0.2
67.05513	0.3
68.99787	0.5
69.03419	0.9
69.07068	0.2
70.06583	0.4
71.04993	0.2
72.08160	0.2
74.06059	0.3
79.05474	0.5
81.03416	1.0
81.07046	0.4
83.04979	0.3
83.69817	0.2
84.04517	0.2
84.08120	0.2
85.02913	1.4
86.09702	1.2
87.00809	0.3
87.10004	0.2
91.05445	0.3
93.07024	0.5
95.01300	0.3
95.04953	0.5
95.08543	0.2
97.02876	0.5
97.06509	0.3
99.04454	0.3
105.07069	0.4
107.04951	3.3
107.08572	0.6
109.02869	0.7
109.06521	0.4
109.10161	0.2
111.04423	0.4
119.08575	0.2
121.06476	0.2
121.10128	0.3
123.04425	0.3
123.08105	0.2
125.06001	0.3
125.07061	0.4
125.09612	0.2
127.03917	0.8
127.45420	0.2
131.08533	0.2
133.10127	0.3
135.03386	0.4
135.04413	6.1
137.02335	18.3
138.02672	0.2
145.10065	0.2
147.11679	0.3
147.88193	0.2
151.07513	0.2
153.01772	0.2
153.05452	0.4
155.03387	0.9
157.06482	0.4
157.10121	0.3
159.03030	0.2
161.02332	1.6
161.05966	0.2
167.06952	0.3
167.08221	0.8
169.06456	0.2
169.10144	0.2
171.11414	0.2
173.12875	0.3
179.03397	0.2
181.04941	0.5
185.02612	0.3
185.08089	0.8
185.09532	0.4
187.11050	0.3
195.08035	0.2
195.46335	0.2
197.05919	0.3
201.12283	0.2
213.09119	0.4
215.13902	0.3
220.40114	0.2
223.07899	0.2
229.04932	0.5
240.42439	0.2
241.08597	0.2
243.06349	0.2
244.62892	0.1
253.04999	0.2
253.15804	0.6
271.06003	100.0
272.06332	2.6
283.05951	0.2
371.11472	0.3
375.15408	0.2
389.13776	0.2
433.11288	0.4
433.26779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Kaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
52.24096	0.7
53.03928	1.8
55.01864	1.9
55.05494	2.6
56.92123	0.7
56.96566	0.7
57.03425	3.7
59.04991	1.0
61.02927	1.4
62.71516	0.6
67.05504	3.5
68.99796	1.2
69.02421	0.7
69.03423	5.2
69.07058	3.0
69.17282	0.7
70.06581	2.7
71.04987	25.8
71.17237	1.2
71.17581	1.5
72.08158	0.8
73.02882	1.7
79.05480	2.1
81.03410	4.3
81.07050	5.0
83.05009	3.7
83.08611	1.7
84.04456	0.7
84.08125	2.6
85.02900	26.4
86.09682	6.4
87.00798	1.0
87.04454	1.1
91.05479	1.8
93.07034	4.3
94.06582	0.9
95.04958	3.5
95.08620	3.6
96.40487	0.7
97.02885	3.7
97.06534	4.4
99.04446	1.4
101.06043	1.0
105.01893	1.0
105.07005	3.8
107.04949	1.6
107.08585	2.4
109.02866	3.2
109.06524	2.3
109.10143	2.5
111.00825	0.8
111.04416	1.9
111.08063	2.7
113.05991	1.3
115.69183	0.7
117.07041	1.0
119.04955	0.9
119.08600	1.8
120.08114	1.1
121.02886	4.4
121.06497	2.8
121.10136	1.5
123.11700	1.2
125.05980	1.3
127.03870	3.7
129.04642	0.8
129.05446	4.7
130.06511	1.5
133.06462	1.0
133.10139	1.3
135.04410	0.9
135.07985	1.4
137.06007	0.9
138.09129	0.9
141.06979	1.1
145.04947	1.3
147.04413	2.0
147.11679	4.1
149.09669	1.1
149.13263	1.3
153.01773	4.3
157.07616	1.0
157.10091	0.8
160.05173	2.8
161.05994	3.9
163.03979	1.5
165.01889	1.5
165.10318	1.5
165.12764	1.5
167.06929	1.3
167.10648	1.5
167.14307	2.1
169.06476	0.9
169.12178	0.9
171.11551	1.2
173.06046	1.0
175.08827	0.8
175.11128	2.0
181.04877	2.2
183.02991	1.1
183.11378	1.1
185.11703	3.0
185.15343	3.0
189.09181	5.1
189.12767	1.2
193.12242	2.1
195.08061	0.9
199.11107	1.4
211.13202	1.7
213.05499	1.4
213.09123	1.4
215.07013	2.0
217.08667	2.2
217.12172	2.8
233.08060	1.1
235.13228	4.5
241.08562	1.8
253.14314	2.8
258.05414	1.1
258.97665	0.9
259.09668	2.8
268.12552	0.9
271.06006	2.2
287.05484	100.0
288.05807	2.1
299.05423	1.4
299.14133	0.9
329.06561	2.1
353.06339	0.8
397.08777	1.5
397.18228	0.9
433.15497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37130	27.1
70.01588	75.1
70.01985	44.4
74.40860	22.7
127.64261	23.0
150.06819	44.9
151.07555	100.0
238.36972	26.1
321.56293	26.7
414.34854	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24096	0.7
53.03928	1.8
55.01864	1.9
55.05494	2.6
56.92123	0.7
56.96566	0.7
57.03425	3.7
59.04991	1.0
61.02927	1.4
62.71516	0.6
67.05504	3.5
68.99796	1.2
69.02421	0.7
69.03423	5.2
69.07058	3.0
69.17282	0.7
70.06581	2.7
71.04987	25.8
71.17237	1.2
71.17581	1.5
72.08158	0.8
73.02882	1.7
79.05480	2.1
81.03410	4.3
81.07050	5.0
83.05009	3.7
83.08611	1.7
84.04456	0.7
84.08125	2.6
85.02900	26.4
86.09682	6.4
87.00798	1.0
87.04454	1.1
91.05479	1.8
93.07034	4.3
94.06582	0.9
95.04958	3.5
95.08620	3.6
96.40487	0.7
97.02885	3.7
97.06534	4.4
99.04446	1.4
101.06043	1.0
105.01893	1.0
105.07005	3.8
107.04949	1.6
107.08585	2.4
109.02866	3.2
109.06524	2.3
109.10143	2.5
111.00825	0.8
111.04416	1.9
111.08063	2.7
113.05991	1.3
115.69183	0.7
117.07041	1.0
119.04955	0.9
119.08600	1.8
120.08114	1.1
121.02886	4.4
121.06497	2.8
121.10136	1.5
123.11700	1.2
125.05980	1.3
127.03870	3.7
129.04642	0.8
129.05446	4.7
130.06511	1.5
133.06462	1.0
133.10139	1.3
135.04410	0.9
135.07985	1.4
137.06007	0.9
138.09129	0.9
141.06979	1.1
145.04947	1.3
147.04413	2.0
147.11679	4.1
149.09669	1.1
149.13263	1.3
153.01773	4.3
157.07616	1.0
157.10091	0.8
160.05173	2.8
161.05994	3.9
163.03979	1.5
165.01889	1.5
165.10318	1.5
165.12764	1.5
167.06929	1.3
167.10648	1.5
167.14307	2.1
169.06476	0.9
169.12178	0.9
171.11551	1.2
173.06046	1.0
175.08827	0.8
175.11128	2.0
181.04877	2.2
183.02991	1.1
183.11378	1.1
185.11703	3.0
185.15343	3.0
189.09181	5.1
189.12767	1.2
193.12242	2.1
195.08061	0.9
199.11107	1.4
211.13202	1.7
213.05499	1.4
213.09123	1.4
215.07013	2.0
217.08667	2.2
217.12172	2.8
233.08060	1.1
235.13228	4.5
241.08562	1.8
253.14314	2.8
258.05414	1.1
258.97665	0.9
259.09668	2.8
268.12552	0.9
271.06006	2.2
287.05484	100.0
288.05807	2.1
299.05423	1.4
299.14133	0.9
329.06561	2.1
353.06339	0.8
397.08777	1.5
397.18228	0.9
433.15497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67638	2.6
54.15948	2.9
60.04515	3.0
69.03439	5.2
69.07073	3.3
70.06574	9.6
71.57500	5.5
72.08136	6.3
74.06055	4.4
81.03430	3.8
83.06094	5.1
84.04498	8.5
84.08121	12.2
85.02896	9.8
86.09695	36.3
88.11247	2.8
91.05821	3.5
93.07045	2.8
95.04381	3.1
95.04967	4.2
97.02879	4.2
98.98442	4.5
107.04934	10.0
110.06062	3.3
111.04455	3.0
120.08106	36.4
123.04375	4.2
129.10251	10.5
130.30373	2.8
130.88239	3.1
131.04971	3.3
133.02780	3.3
135.04370	3.6
136.06163	3.7
136.07524	3.2
138.71909	3.1
142.44521	2.8
142.95166	2.8
147.04494	4.2
154.04984	3.3
163.03911	6.5
163.07562	3.5
164.09204	5.3
165.05519	2.8
166.08624	16.2
173.48495	3.0
177.05560	3.2
179.03352	2.8
200.14041	3.6
270.13300	4.4
351.30945	3.4
397.48795	3.0
414.13406	3.7
432.14349	3.9
433.16840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93690	0.4
52.79426	0.4
53.03951	0.4
55.01874	0.5
55.05513	0.9
57.03424	0.6
67.05508	1.7
69.03431	1.1
69.07067	1.2
69.90002	2.3
70.06589	1.4
71.04946	0.6
71.17274	0.4
72.08163	0.5
75.95403	0.4
77.38508	0.4
79.05500	1.0
79.41608	0.4
81.03392	0.7
81.07064	4.2
84.04495	1.1
84.08165	0.5
85.02896	1.2
86.06119	0.4
86.09698	6.2
87.00834	0.5
87.10040	1.1
89.06041	2.9
91.05444	0.6
93.07034	1.3
95.08613	0.8
96.08133	1.0
97.02882	0.7
98.06050	1.5
98.20789	0.5
102.05528	0.8
107.08593	0.8
109.02863	0.9
110.06058	0.5
110.09690	1.0
119.08573	0.6
121.06530	0.5
121.10110	0.5
122.09673	6.3
123.11724	1.1
124.07583	0.6
128.07069	1.2
133.08615	1.2
135.08031	0.5
136.07552	1.1
138.12769	8.6
139.03983	0.4
147.11626	0.4
148.11188	6.7
164.07037	0.9
166.12270	78.7
167.12553	1.1
169.05029	0.5
184.13321	100.0
185.13684	2.1
189.12193	0.6
203.99367	0.4
215.13811	0.9
216.14264	1.1
233.12889	0.8
238.28880	0.4
243.13432	0.6
244.13657	0.7
251.13846	0.6
271.05847	0.5
284.26239	0.5
284.54614	0.4
388.27011	0.7
398.06821	0.4
414.19839	0.9
432.21466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
56.96561	2.9
57.03418	1.9
57.20626	0.6
60.04522	4.7
61.02934	3.1
61.03194	0.6
67.05479	0.9
68.05029	3.8
69.03429	12.5
70.06599	4.6
70.49298	1.0
70.49677	1.0
71.04979	1.1
72.04495	0.9
72.08163	1.6
73.02915	1.9
74.06056	0.9
75.33520	0.6
79.05490	2.5
80.05020	5.7
81.03408	2.7
82.06586	5.3
83.01347	0.8
83.04947	0.8
84.04508	0.9
84.08141	4.1
85.02901	12.5
85.03368	0.4
86.06059	1.2
86.09695	2.3
87.04457	0.9
90.05578	0.8
95.04980	2.9
96.04440	0.7
97.02892	5.7
98.06055	1.2
98.97553	4.0
99.04447	1.4
100.07610	1.0
102.05537	2.4
107.04951	100.0
108.05289	1.6
109.02885	2.1
110.06036	8.3
116.98605	3.4
119.14161	0.7
121.06491	6.1
121.34338	0.6
122.07093	0.8
123.04442	1.4
127.03918	2.7
128.07068	6.3
128.98608	1.1
129.10246	4.0
131.01888	0.7
134.99646	1.8
135.04442	1.4
136.06178	1.9
137.05992	1.3
138.09157	1.9
139.03967	1.0
143.93555	0.6
145.04990	2.5
146.08119	17.6
146.99609	1.3
148.07535	1.1
149.06070	0.8
158.99638	1.5
161.01297	0.9
161.02818	0.8
163.03931	2.4
164.09183	74.7
165.09528	0.9
172.95204	0.9
173.03041	0.6
177.00742	2.0
188.09294	0.7
189.00739	1.3
194.08092	0.8
196.54750	1.0
206.10228	0.9
214.96465	0.9
215.10449	1.1
219.01790	1.5
222.07773	0.9
228.11308	0.7
237.02863	2.9
244.10773	1.0
270.13443	1.7
289.12982	3.3
308.13614	1.6
326.14444	51.8
327.14890	2.0
414.17474	1.5
432.18753	6.9
432.24353	1.2
442.73892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30621	0.2
55.01864	0.3
55.05495	0.4
56.05031	1.6
60.60183	0.1
67.05487	0.4
68.99773	0.4
69.03415	0.2
69.07063	0.3
72.54029	0.2
73.01124	0.2
79.05492	0.8
81.03408	0.2
81.07049	1.3
82.07391	0.2
83.08619	0.3
85.02901	0.5
88.02215	6.8
90.03777	5.8
90.04252	0.1
91.05467	0.7
93.07038	0.6
93.67195	0.1
95.04955	0.3
95.08588	0.6
97.06505	0.2
98.20673	0.2
103.05459	0.5
105.07033	1.6
106.07359	0.2
107.05034	0.1
107.08606	0.4
109.02869	0.3
109.06583	0.2
109.10147	0.3
110.10469	0.2
118.03248	1.3
118.04066	0.3
119.04927	0.5
120.08052	0.2
121.06510	0.9
121.10128	0.4
123.04422	1.1
123.08002	0.2
126.44382	0.2
127.03873	0.2
131.04964	0.2
133.06464	0.4
133.10127	0.2
134.02708	2.6
135.04376	0.2
135.08080	0.3
136.04272	8.4
137.05980	0.3
146.03624	2.6
146.05972	1.2
149.05974	3.9
149.13226	0.4
151.07507	0.2
160.07588	0.3
161.05972	100.0
162.06461	0.9
163.02197	0.3
163.07535	6.3
175.07559	0.2
179.07034	1.4
195.04736	0.8
264.07159	0.2
296.09525	3.6
297.11282	1.1
322.11200	0.2
331.76392	0.2
335.60904	0.2
432.14713	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
57.07072	2.3
59.71003	1.4
67.05499	6.1
68.47680	1.1
69.07061	4.8
69.33268	7.9
69.33695	4.3
79.05494	2.2
81.07053	9.5
83.08604	3.6
90.92711	1.1
93.07038	2.5
95.08610	13.8
97.10172	2.1
105.07039	2.7
109.10143	4.3
111.11707	1.7
111.15887	1.3
123.08070	9.4
123.11720	4.3
137.13260	1.7
139.07542	2.6
149.02135	2.1
149.09583	1.1
150.74225	1.0
151.07538	100.0
167.06998	8.3
189.09119	1.6
189.12778	1.3
197.52687	1.3
275.27304	2.6
431.31223	13.2
459.87552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05506	11.2
56.61047	1.9
57.03428	7.9
57.07073	4.8
67.05502	24.9
69.07069	12.4
69.39707	12.2
69.40131	8.4
71.05000	4.3
79.05500	13.0
81.03362	2.2
81.07052	31.3
83.08623	6.7
85.06574	2.1
91.05465	13.7
93.07040	27.0
95.04945	3.9
95.08594	36.7
97.06516	3.0
97.10138	4.6
98.71769	2.2
105.07035	23.2
107.08593	30.1
109.06536	2.1
109.10155	23.6
111.08062	5.1
113.00014	100.0
115.07582	6.0
117.07034	3.5
119.08577	39.1
121.10139	26.4
123.11733	11.5
125.09629	3.7
128.52365	2.2
129.06998	2.4
131.08575	8.5
133.10129	38.5
135.11688	24.4
137.13232	4.8
143.08582	2.8
145.10110	18.4
147.11674	44.1
149.13255	11.5
151.11220	3.3
157.10173	3.5
159.11662	14.3
161.13266	17.9
163.14818	8.9
165.12718	2.5
169.02605	95.6
169.10069	3.0
171.11681	2.9
173.13249	15.2
175.14821	13.4
177.16364	3.7
185.13245	3.0
187.14790	15.5
189.16362	19.9
191.17932	6.8
199.14868	3.3
201.16351	7.5
203.17967	28.3
205.15895	5.4
207.17455	22.3
213.16434	2.4
215.17989	13.6
221.18961	5.3
229.19530	3.9
231.54996	2.1
245.22681	4.3
251.12708	2.4
255.21138	2.5
263.23764	5.7
319.80231	2.2
349.17142	2.0
377.32318	3.0
386.44934	2.0
395.33044	16.9
413.34341	11.2
431.35275	61.2
432.35623	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01880	8.0
55.05267	3.0
55.05517	36.4
57.03444	5.5
57.07077	4.9
59.52486	2.1
62.69493	2.2
65.03941	2.7
67.05508	100.0
69.03432	6.3
69.07073	32.6
71.04996	7.0
71.19572	5.9
79.05496	49.2
81.03421	10.3
81.07064	52.3
83.05003	5.6
83.08623	15.9
85.06548	3.5
91.05480	49.0
92.05774	2.9
93.07047	56.7
95.04971	16.2
95.08621	51.2
97.06538	10.0
97.10176	18.1
98.98494	2.9
103.05487	2.7
104.93307	2.4
105.07034	38.9
107.04974	6.5
107.08608	30.2
109.06559	5.1
109.10161	37.6
109.10852	4.1
111.08083	3.4
115.05460	2.7
117.07022	17.8
119.08588	34.9
119.09373	3.6
121.06510	5.0
121.10143	22.1
123.08097	5.2
123.11725	7.9
125.09624	12.8
128.06181	4.4
129.07027	15.3
131.08577	31.2
133.06520	4.0
133.10118	34.8
135.08061	3.7
135.11678	16.4
136.84351	2.9
137.09634	16.1
139.11246	4.2
141.06932	5.3
143.08543	14.6
145.10124	20.8
147.08113	4.0
147.11681	18.9
149.09636	12.8
149.13297	5.4
151.11203	3.7
155.08575	4.8
157.10184	11.5
159.11688	21.5
161.09532	3.0
161.13313	8.1
163.11182	4.5
165.09189	3.6
167.10738	5.3
169.10098	5.7
171.11736	10.2
173.13304	10.6
175.11256	5.7
175.14842	4.9
183.11754	5.9
185.13333	10.2
187.11263	4.1
187.14861	4.7
189.11215	7.0
189.12735	3.5
197.13280	6.0
199.14801	3.4
201.16441	4.1
211.14955	3.4
215.14227	2.5
219.82686	2.3
225.16310	3.4
227.17888	4.4
245.19125	7.2
253.19519	2.6
257.18991	3.5
259.20438	4.1
263.20120	5.3
275.20032	20.8
277.21661	7.4
395.29446	10.3
413.30557	13.0
420.58215	3.1
431.31537	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48320	2.7
53.03936	6.1
55.01864	8.7
55.05512	35.8
57.03430	3.0
58.67946	3.4
61.02923	4.9
65.03932	4.8
67.05500	100.0
69.03398	7.6
69.07061	32.0
69.26699	37.1
71.04988	10.5
77.19614	3.0
79.05482	62.2
81.03412	13.4
81.07050	65.8
83.04987	8.2
83.08605	14.3
85.02892	4.7
85.06535	3.8
91.05470	52.2
93.07038	67.2
95.04962	26.3
95.08601	49.0
97.02895	4.7
97.06509	7.5
97.10178	17.1
98.93644	3.2
105.07027	54.9
107.04945	7.0
107.08596	40.2
109.06487	7.2
109.10155	37.5
111.08040	3.2
117.07019	26.3
119.08568	43.8
121.06570	6.1
121.10131	26.3
123.08080	4.1
123.11677	8.8
125.09651	14.1
128.06198	4.5
129.07014	14.0
131.08566	31.5
133.10126	37.1
135.08052	5.7
135.11696	13.7
135.37247	2.8
137.09583	19.0
139.11131	4.0
141.06979	4.7
142.07747	3.6
143.08568	9.3
145.10123	17.1
147.08031	6.4
147.11676	19.8
147.45187	3.1
149.09602	16.7
149.13223	5.6
151.11285	4.0
155.08554	3.8
157.10107	10.3
159.11667	26.7
161.13234	9.5
163.11189	8.6
165.09093	5.8
166.54926	2.9
167.10695	11.1
169.10094	6.1
171.11685	12.4
173.13258	12.0
175.11249	7.3
177.12701	3.2
183.11673	7.3
185.13295	8.4
189.11189	8.0
195.11649	3.3
197.13190	5.4
199.14825	3.8
201.16461	3.5
227.17938	4.8
245.19131	4.9
259.20428	3.6
259.63022	3.2
263.20013	8.5
275.20044	29.6
277.21530	7.1
293.07153	3.0
293.21048	3.0
371.14975	10.2
395.29446	9.7
413.30493	11.3
431.31473	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
53.92346	2.6
55.01867	9.0
55.05510	38.7
57.03428	4.3
57.07045	2.8
65.03954	2.5
67.05501	100.0
69.03426	5.4
69.07067	37.1
71.04989	10.9
71.13889	7.0
79.05489	54.7
81.03429	7.2
81.07055	55.8
83.04980	9.9
83.08613	14.5
85.06551	4.2
91.05475	57.4
93.07035	61.9
95.04976	22.2
95.08598	44.4
97.06507	6.4
97.10168	19.8
98.92156	2.5
99.08070	2.8
103.05444	2.9
105.07030	43.0
107.04969	7.9
107.08592	34.0
109.10145	45.6
109.43899	2.4
111.08102	2.9
115.05434	3.2
117.06998	26.0
119.08564	41.2
120.87424	2.8
121.06525	9.4
121.10139	35.2
123.08070	3.8
123.11722	7.3
125.09633	14.0
128.06218	2.8
129.06981	16.8
131.08549	33.1
133.10124	36.4
135.08047	4.9
135.11673	16.0
137.09589	17.6
139.11244	4.4
141.06996	5.0
143.08588	13.1
145.10123	21.6
147.08043	6.2
147.11703	17.2
149.09564	12.7
149.13263	5.1
151.11143	2.9
151.54376	2.8
155.08617	6.2
156.11430	3.0
157.10127	12.6
159.11681	21.4
161.13260	9.6
163.11205	6.4
167.08627	4.0
167.10693	6.4
169.10112	6.7
171.11748	9.1
173.09659	5.6
173.13277	9.6
175.11200	7.7
175.14731	2.9
181.10121	3.1
183.11679	8.4
185.13312	8.4
187.14825	4.5
189.11267	8.0
189.12779	4.1
191.14378	3.0
197.13268	6.6
199.14680	4.6
201.12823	3.4
201.16257	4.2
211.14743	4.9
215.14319	2.9
225.16368	4.2
227.17973	12.1
239.18118	4.0
245.19023	9.3
257.18991	4.6
259.20587	3.3
263.20087	7.4
275.20038	24.4
277.21716	8.3
293.21292	3.3
329.24774	3.3
343.22711	3.8
377.28610	2.8
385.31049	4.4
395.29742	14.7
413.30417	19.3
431.31528	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.1
55.01875	28.0
55.05514	65.4
56.96562	3.6
57.07070	5.0
57.24691	3.2
58.05420	3.0
62.60602	3.7
63.71098	3.5
65.03938	5.1
67.05505	100.0
68.18312	3.2
69.03426	9.3
69.06727	4.9
69.07071	65.0
70.76622	9.9
71.04998	6.8
77.64795	3.2
79.05495	58.5
81.03423	8.2
81.07057	79.7
83.04981	13.7
83.08614	32.8
85.06535	9.1
91.05470	62.7
93.07041	64.3
95.04941	19.9
95.08601	77.2
97.06520	30.5
97.10166	35.8
98.21288	4.0
98.98463	6.3
105.07027	57.0
107.04967	9.2
107.08592	43.1
109.06506	6.8
109.10164	35.2
111.08082	7.3
117.07008	31.5
119.04977	3.5
119.08583	40.4
121.06488	7.1
121.10158	31.5
123.08044	11.6
123.11710	6.2
125.09640	27.8
129.07008	26.5
131.08577	43.0
133.06493	10.9
133.10114	36.4
135.08018	9.3
135.11682	11.8
137.09596	12.2
139.11098	4.1
141.06979	6.6
142.07800	4.9
143.08580	22.0
145.06430	4.5
145.10129	35.5
147.08072	7.5
147.11670	17.1
149.01242	5.8
149.09613	8.2
149.13217	11.7
155.08611	10.5
157.10126	23.5
159.08049	5.2
159.11702	28.6
161.09578	7.9
161.13264	12.5
163.11156	10.7
167.08604	5.8
169.10129	11.9
171.11697	20.7
173.13237	14.4
175.11159	14.1
177.12791	4.9
181.10210	4.6
183.11708	8.1
185.13217	16.2
187.14824	3.6
189.11206	13.7
189.12714	7.5
197.13246	5.5
199.14893	8.8
201.12675	5.5
201.16382	3.7
203.14423	6.9
209.13295	4.9
211.14868	4.1
215.14139	5.4
215.17818	4.0
227.17934	21.8
241.19731	4.2
245.19032	14.5
254.77794	3.7
275.20059	6.0
285.13455	12.9
287.19885	4.4
301.21591	13.0
303.23096	4.9
309.22470	3.8
315.23230	4.7
317.21118	5.4
317.24728	4.6
319.22644	8.0
325.21570	5.1
331.22568	4.1
333.24533	4.1
349.00378	3.5
371.14893	5.9
377.28488	4.1
389.16034	11.2
392.77347	3.6
395.29370	21.2
413.30484	25.9
431.32120	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00727	3.3
52.19598	2.9
52.92683	3.0
53.03935	5.1
55.01851	3.3
55.05509	20.8
56.96553	5.2
57.03441	4.0
57.07072	22.7
59.40299	2.9
67.05506	37.3
69.03409	3.7
69.07067	34.5
71.04983	3.4
71.06982	3.0
71.08624	4.1
71.57472	3.3
71.57858	3.9
73.52087	2.8
76.04001	8.9
79.05489	13.2
81.07053	43.2
83.04991	4.2
83.08607	26.2
85.06550	3.5
85.10155	7.2
90.05550	100.0
91.04980	3.5
91.05424	16.1
93.07047	20.2
95.04951	4.1
95.08597	42.3
97.06514	5.3
97.10183	15.2
98.98462	13.2
105.07017	21.0
107.08593	17.4
109.10146	21.1
111.08116	4.5
111.11708	7.4
113.09642	5.6
117.07009	3.6
119.08589	14.9
121.06470	4.5
121.10152	12.6
123.04553	3.0
123.08041	5.2
123.11727	8.2
125.09715	3.3
127.11193	4.8
128.89874	2.8
131.08530	7.4
133.06563	2.8
133.10083	15.2
135.11714	11.5
137.06003	3.9
137.09677	3.0
137.13304	4.4
138.05521	8.6
143.08597	4.2
145.10136	5.2
147.07634	22.9
147.11731	11.8
149.13251	10.4
151.07564	3.8
152.96619	3.3
153.05363	2.8
159.11714	5.8
161.13249	9.3
163.07576	6.4
171.11729	4.3
173.02313	3.5
173.13347	3.7
175.14897	8.8
181.08609	3.1
185.13190	3.1
187.13365	3.0
206.77118	3.5
231.20943	7.8
232.61147	3.9
241.19456	6.3
249.22137	13.1
259.20609	8.3
267.23254	18.3
267.25699	3.2
268.26358	19.4
269.08063	3.4
278.24600	17.4
285.24228	46.4
288.23328	3.6
296.25751	24.1
306.24286	25.6
324.25342	39.5
333.24127	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78169	2.6
57.07072	2.8
60.91294	2.9
67.05514	3.4
70.10536	14.9
98.21474	3.4
99.28733	2.8
109.10153	4.3
111.69746	2.8
119.08604	3.8
121.06509	8.1
136.08810	12.4
137.09607	12.6
149.09552	3.0
164.08328	32.7
165.09116	100.0
166.09496	13.0
168.32462	2.8
177.09113	4.8
178.09459	2.9
187.70335	3.8
194.38197	2.9
205.12247	6.3
261.36053	3.0
430.32327	5.4
430.38013	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.3
55.01860	6.3
55.05504	12.2
55.98896	2.0
67.05232	1.9
67.05504	25.0
68.99782	9.0
69.07064	59.4
69.91428	5.8
69.91842	5.6
79.05492	33.5
81.03426	3.9
81.07058	14.5
83.08605	2.8
91.05468	18.0
93.07033	44.7
95.04955	8.4
95.08602	18.8
97.06511	3.2
97.10155	6.2
98.20821	2.4
105.07030	9.4
107.04895	1.8
107.08582	7.8
109.10146	6.8
111.04366	2.0
115.05451	3.2
117.07025	6.6
119.07206	2.5
119.08586	8.9
121.10127	17.7
123.04433	7.7
125.09640	4.7
127.03896	4.4
128.06247	2.5
129.06975	5.9
131.08551	5.6
133.10152	4.1
137.02341	18.8
141.06999	8.3
143.08542	4.3
145.06482	2.9
145.10127	4.2
147.04399	4.8
149.05981	3.7
152.81470	1.8
153.07021	4.3
155.08566	5.3
159.11710	2.6
161.06026	3.1
165.06979	9.7
167.08524	3.4
168.05692	2.3
169.06454	3.8
169.10117	2.4
171.08044	2.5
171.11696	2.4
173.05965	3.6
178.07748	2.1
181.06447	3.5
182.07304	2.0
183.08031	3.4
184.05190	2.9
185.05943	4.3
187.07480	2.5
189.11273	2.0
191.08690	2.1
191.10652	5.4
193.06604	2.7
193.10248	2.1
195.08136	3.3
197.05978	8.7
198.81253	1.9
199.07550	7.2
202.07623	2.1
203.08577	2.9
209.05865	2.6
209.09570	4.2
210.06783	3.4
211.07513	12.4
211.73351	2.0
215.10823	3.7
221.05936	2.9
221.09669	3.0
223.07558	7.1
227.17989	2.4
233.98912	2.1
235.07625	7.3
236.08408	2.7
237.09035	4.9
237.12798	2.0
239.06981	24.3
240.07921	2.2
247.07593	5.5
248.08405	4.0
249.09036	4.5
250.06335	3.0
251.07036	5.8
253.05048	2.4
253.08646	4.8
253.12215	6.7
255.06561	15.7
261.09073	7.2
263.07117	8.5
264.07962	3.6
265.08850	4.1
266.05673	4.2
267.06494	62.6
268.07272	5.7
269.08035	7.5
276.07831	4.1
277.08469	9.6
278.05927	2.5
278.09253	3.0
279.06516	13.4
279.09476	2.2
280.07178	2.9
281.08145	7.8
289.08566	5.6
291.06580	13.7
291.09564	3.0
292.07327	8.1
293.08041	28.3
294.08798	5.8
295.09753	4.4
296.10437	3.8
305.08115	9.0
306.08899	7.0
307.09705	15.2
309.11179	4.2
311.12793	2.8
319.09616	23.0
320.10263	2.3
321.11401	4.9
323.12759	51.6
323.16278	4.1
326.97064	2.1
333.11029	4.4
334.07132	2.6
335.12915	4.4
336.52127	2.2
342.52460	2.5
347.12744	31.6
347.16580	2.6
349.14209	3.3
351.15915	3.0
360.65411	2.3
361.14331	11.4
362.15118	22.8
363.15869	7.5
365.16986	3.2
371.15158	4.2
375.15869	33.0
385.20740	2.8
389.16891	3.1
413.30634	4.0
431.22180	100.0
431.31198	4.4
432.22287	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.5
55.05512	6.9
56.05027	15.0
57.03431	9.4
58.06585	15.4
61.02915	12.7
67.05489	9.2
69.03430	42.8
69.07052	5.6
70.06602	11.9
71.04975	16.5
71.33955	5.7
71.34296	5.1
72.00659	3.7
73.02909	8.8
74.06094	5.5
79.05486	11.8
81.03400	11.3
81.07051	15.7
83.04987	8.2
83.82083	4.2
84.04494	8.1
84.08138	7.9
85.02508	4.6
85.02907	55.0
85.06525	4.2
86.06036	6.9
86.09706	25.4
87.04453	10.3
91.05447	8.3
93.07035	20.3
95.04967	100.0
95.08600	17.0
96.04393	4.9
96.08116	14.2
97.02902	24.4
97.06536	9.4
98.06051	12.9
98.09682	18.9
99.04447	26.2
105.07037	26.4
107.08595	27.4
108.08105	27.2
109.02845	5.8
109.06509	22.7
109.10152	14.8
110.06031	13.5
111.04408	9.6
111.08105	4.6
112.07580	4.5
113.05983	4.7
114.05520	4.9
119.08559	19.5
120.08090	4.9
121.10136	21.0
122.09647	11.1
123.08093	20.8
123.11651	5.0
124.10184	4.3
125.05933	4.4
126.05462	8.5
127.03914	17.0
131.08569	19.4
132.08109	5.3
133.10136	27.2
135.08038	12.1
135.11650	6.9
136.11266	4.2
139.03882	4.3
142.58115	4.3
145.04968	7.4
145.10129	13.4
147.04469	5.5
147.11685	17.0
148.11208	7.2
149.09628	42.2
150.12653	5.2
151.07527	8.0
152.14262	6.0
153.09094	14.2
156.17668	4.5
162.12759	5.1
163.11101	15.7
164.14429	4.2
165.09145	6.3
165.12749	7.3
173.13274	12.5
174.12769	16.1
175.11159	6.5
176.10704	12.1
186.07651	7.6
189.12685	16.7
190.10481	4.4
190.16029	4.0
191.14236	8.7
192.13872	8.5
193.12158	4.2
204.08629	26.5
206.15401	8.9
207.13779	11.1
208.16885	5.8
209.15340	5.6
215.14384	9.6
232.16975	37.0
234.18417	7.1
250.18002	97.6
251.18437	7.2
268.19055	72.8
404.22205	3.9
412.23227	32.2
430.24570	95.5
431.24231	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01845	5.5
55.05501	9.5
55.92585	3.7
58.06596	4.2
59.04999	4.4
62.26424	4.8
63.15351	4.4
67.05483	10.6
69.03433	23.7
69.07053	9.0
70.06579	19.8
71.57292	6.6
72.08138	19.2
79.05495	7.1
81.03415	14.3
81.07039	8.2
83.04993	7.0
84.04491	7.8
84.08127	12.8
85.02895	42.4
86.09705	100.0
91.05466	15.7
93.07012	7.9
95.04932	8.7
97.02873	15.2
101.07108	5.2
105.07015	17.2
107.08545	9.8
108.08122	8.4
109.02873	8.1
109.06480	7.8
109.10143	7.4
110.06049	9.0
112.07571	5.9
119.08601	9.0
120.08075	8.8
121.10136	18.4
123.08049	6.0
123.11691	10.6
124.07563	7.4
125.05957	4.3
127.03907	13.9
129.10216	4.9
133.10178	6.3
136.07597	7.5
137.05988	6.2
141.34872	4.9
145.04939	5.4
145.10104	9.3
146.06013	9.5
147.04462	10.7
147.11661	10.8
149.09605	14.5
165.05377	6.4
167.05611	5.0
171.11478	5.2
172.11198	5.3
173.09460	4.8
173.13306	8.2
175.11089	8.9
177.05479	6.4
185.16467	8.1
193.12370	6.5
206.10104	5.6
207.13889	6.1
224.99437	4.8
232.17010	23.8
233.15393	6.9
250.18008	44.2
251.16327	10.0
268.15332	6.3
268.19034	12.2
412.23215	21.1
430.20810	59.2
430.29819	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21688	0.1
55.01865	0.3
57.03436	0.9
60.19066	0.1
61.02917	0.6
61.83401	0.2
63.46504	0.2
69.03431	1.9
70.06580	0.4
71.01341	0.2
71.04948	0.2
71.57056	0.3
73.02903	0.6
81.03411	0.6
83.04979	0.2
85.02425	0.3
85.02903	3.3
87.04449	0.4
91.05783	0.5
92.02541	0.1
94.04045	0.6
95.04968	0.2
97.02885	1.6
98.97596	0.3
99.04453	0.3
101.02368	0.3
107.04922	0.2
109.02869	0.4
111.04460	0.2
115.03909	0.3
116.98602	0.4
117.03343	0.3
119.03564	1.3
119.04852	0.2
121.06519	0.3
122.42168	0.2
123.04405	0.5
124.05138	0.2
127.03909	0.8
128.98608	0.2
133.05014	0.2
134.99664	0.3
135.04407	0.4
136.06181	100.0
137.04587	1.3
137.06551	0.6
138.05450	0.3
145.04956	0.6
147.04398	0.3
148.04942	0.2
148.07536	0.2
152.05667	0.2
152.07034	0.2
163.03835	1.0
164.01715	0.2
164.07077	0.2
167.05568	0.3
177.02016	0.2
182.08102	0.2
189.04008	0.5
207.40985	0.2
237.02782	0.4
240.08693	0.4
241.79953	0.2
242.07303	0.3
250.10878	0.2
268.08051	1.1
268.10464	2.4
298.11322	0.3
360.02835	0.4
430.15714	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28988	0.9
53.03948	8.4
55.01621	1.1
55.01869	11.8
55.05504	2.0
57.03434	7.1
57.75628	0.8
60.04520	1.4
61.02918	7.2
67.05507	1.5
68.53513	0.8
68.99780	3.8
69.03431	30.5
69.07044	1.2
69.34112	7.0
70.06570	1.2
71.01364	1.2
71.04995	5.8
73.02912	12.0
79.05474	2.4
80.56345	0.7
81.03419	33.6
81.07059	2.9
83.01333	1.5
85.02904	100.0
87.00301	1.8
87.00827	36.2
87.04487	1.3
89.55876	0.8
91.03941	2.7
91.05452	2.1
93.07035	1.9
95.08596	2.8
97.02885	39.5
97.10197	1.4
98.06040	1.9
98.21524	1.6
99.04451	18.9
101.02370	0.9
105.01865	34.4
105.07030	4.2
107.04926	1.1
107.08590	1.8
108.04482	9.8
109.02876	33.6
109.06545	0.9
109.10162	1.4
115.03927	1.1
117.01856	4.7
119.08562	1.3
125.09630	1.0
126.05509	4.5
127.03915	78.0
128.04240	1.4
129.01851	4.7
129.07001	0.9
133.06485	0.9
137.05960	3.6
145.04956	39.5
147.02872	4.3
147.11664	1.0
148.05113	1.0
151.07570	3.6
159.02893	30.3
161.09555	1.1
163.80600	1.0
165.09105	2.0
169.07645	0.9
175.07596	0.9
177.09158	1.0
181.04941	1.5
187.03966	0.9
189.03804	1.9
189.09082	3.1
203.08185	1.1
207.10117	1.5
213.03969	2.7
225.06520	1.4
230.06602	2.7
231.05054	13.0
231.10161	2.7
248.07710	4.0
249.06061	1.0
255.10249	1.2
259.10934	1.1
260.11069	2.0
271.07077	1.7
273.11179	2.4
285.08728	0.9
296.31970	0.8
366.14789	1.0
430.15536	1.5
430.20447	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.8
56.05038	6.0
57.03431	3.5
58.06599	4.4
59.05009	3.1
60.04509	12.1
65.03928	12.7
67.05504	18.6
68.08321	3.3
68.99762	4.0
69.03426	12.7
69.07063	3.5
70.06598	18.0
70.23177	7.4
70.23576	6.4
71.07328	3.2
72.08140	14.8
73.04742	3.5
79.05463	5.7
81.03416	5.7
82.06587	4.0
83.04976	39.3
84.04497	12.7
84.07630	4.4
84.08141	91.7
85.02894	24.2
86.09699	38.8
87.00812	3.2
91.05354	5.3
91.05807	12.2
93.03404	15.0
93.07025	4.3
95.04967	15.0
96.04498	3.7
97.02881	8.9
99.04400	3.7
100.03943	4.1
102.05527	4.0
103.05457	4.2
105.03381	6.4
105.07066	4.3
107.04937	11.5
108.08092	6.0
109.02864	6.4
109.06554	4.0
110.06022	3.3
111.04439	46.4
116.09769	3.1
118.06516	4.8
119.04946	7.1
120.08075	8.4
121.02846	16.1
121.06495	4.6
122.06005	6.4
123.04439	35.1
123.08092	3.4
123.95187	3.5
124.07594	6.9
126.05576	4.2
127.03933	7.4
128.07121	5.6
129.05464	20.9
129.10236	100.0
130.05032	4.3
131.04913	8.6
132.04427	7.1
133.02867	17.3
135.04437	7.8
135.06912	3.3
136.07654	7.4
137.02364	3.6
137.05937	8.8
138.05533	6.3
139.03923	21.8
145.02788	4.1
146.06032	18.8
147.04442	21.6
147.07640	5.1
148.07594	9.8
149.02362	14.3
149.05980	4.4
150.03149	6.3
150.05490	10.5
151.03911	12.2
152.07036	6.0
153.01770	3.2
157.04956	11.7
159.04436	7.4
161.02272	6.2
161.05952	4.3
162.05554	5.7
163.03908	32.0
163.06197	6.2
164.07106	35.5
164.10707	5.1
165.01898	3.2
165.04242	7.2
165.05475	9.7
165.11224	5.7
166.04945	4.5
166.08609	4.0
167.03415	7.0
167.05571	3.4
167.06978	3.8
171.11362	4.1
174.05495	12.3
175.03908	6.7
175.06017	5.5
176.03371	4.3
176.07011	21.4
177.01793	16.9
177.05499	10.8
178.04961	10.9
178.08600	7.3
178.45174	3.6
179.03441	19.6
180.06601	8.8
181.07289	5.9
182.11879	3.6
185.12732	3.4
192.06561	36.5
193.05020	7.6
194.04466	29.4
194.08156	15.6
195.02832	16.4
197.16446	5.0
202.04980	13.8
203.03398	13.9
203.05275	4.0
204.06499	4.1
208.09723	5.7
210.07617	10.2
220.06067	33.6
221.04402	8.0
222.07628	4.7
238.07153	26.9
240.05310	3.6
242.15099	5.9
256.08093	4.5
268.11880	6.3
268.15472	8.8
317.21890	4.0
337.22418	8.0
353.08707	4.4
355.23361	5.3
360.02594	5.9
394.10992	4.7
412.12457	21.0
429.74762	3.3
430.13611	26.6
430.21417	26.4
430.26434	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.17123	1.6
55.05497	2.2
56.39071	1.4
57.07074	17.4
66.46790	1.6
67.05497	4.4
69.07066	4.9
71.08635	10.0
71.58298	2.2
71.58685	1.8
79.05496	3.3
81.07045	11.0
81.59138	1.7
83.08619	3.8
85.10182	5.7
88.89435	1.9
91.05803	5.5
93.07028	3.1
95.08599	7.4
105.07036	3.8
107.08609	8.4
109.10130	7.6
117.06940	1.8
119.08560	5.2
121.06513	3.0
121.10087	1.9
122.07228	2.1
123.11734	2.6
131.08575	3.6
133.10190	2.2
135.08020	4.9
136.08784	2.2
137.09599	12.2
145.10143	4.9
149.09666	11.9
159.11661	2.3
163.11208	15.8
164.08363	6.0
165.09105	100.0
166.09428	1.9
167.05524	3.2
173.09555	2.7
173.13199	2.6
175.07626	2.5
175.11226	2.9
176.08342	2.9
177.09082	10.2
177.12790	2.7
189.12698	2.2
190.09819	2.0
191.10687	9.7
201.12718	1.8
203.10645	2.1
205.12248	7.6
215.14287	2.0
219.13838	3.6
232.94319	1.6
238.00029	1.7
289.22241	1.8
328.07779	1.6
359.02887	3.8
374.55875	1.8
401.33939	2.2
411.36011	2.2
429.31833	4.8
429.37189	32.6
430.37939	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05502	3.0
55.36585	2.1
56.05042	2.1
57.07069	13.6
59.06128	4.2
59.39488	1.8
67.05524	4.6
69.07085	4.8
70.18613	4.2
70.19027	6.4
71.08622	8.5
75.16335	2.0
81.07045	6.6
85.07657	2.4
85.10167	4.5
91.05783	9.0
93.00082	1.9
93.07020	3.3
95.08610	5.6
98.12259	2.2
99.11829	2.2
105.07009	4.7
107.08581	6.7
109.10131	7.7
110.07159	2.9
119.08591	3.3
121.10142	4.6
122.07210	3.4
135.08017	3.7
135.11667	2.9
136.08734	3.9
137.09613	9.2
138.10274	2.1
139.07542	2.7
149.08408	2.1
149.09625	11.2
159.11662	2.8
161.09581	2.5
163.11159	18.8
165.09109	100.0
167.05585	2.9
175.11197	5.3
177.09099	9.5
177.12781	2.8
187.11102	2.8
191.10764	9.9
201.12807	3.6
205.12225	11.1
214.10753	3.4
219.13783	4.8
241.11748	2.4
359.02887	2.7
370.93423	2.2
401.33990	3.6
429.31812	9.0
429.37265	30.0
430.37842	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2116
Annotation	Cuminoside B
Peak:m/z	Relative Intensity
53.03935	10.0
55.01867	10.3
55.05495	17.7
57.03438	22.5
61.02908	18.5
67.05506	33.4
69.03426	34.8
69.07056	7.7
69.49471	36.1
71.04990	8.4
72.52050	4.0
73.02908	9.9
79.05510	25.6
81.03414	100.0
81.07053	31.3
83.04963	14.5
83.08609	16.7
85.02908	55.9
86.09689	6.9
87.00838	8.6
88.01164	5.5
89.06027	14.9
90.06364	5.0
91.03946	11.0
91.05449	25.8
93.07030	20.7
95.04961	54.8
95.08598	14.4
97.02880	41.6
97.06538	5.3
97.10165	7.4
98.21549	8.2
99.04443	13.2
101.02436	4.5
101.09652	5.6
103.03934	11.3
105.01871	7.9
105.07024	27.3
107.04959	15.3
107.07072	18.3
107.08606	12.7
109.02866	31.2
109.06472	7.0
111.04461	7.8
115.05399	4.3
117.06994	10.0
119.08580	18.7
121.06480	6.3
121.10145	14.5
121.75381	4.1
123.04449	22.8
127.03894	32.6
128.04236	8.2
129.06989	9.5
131.04964	7.7
131.08545	12.2
133.06480	7.4
133.10094	8.7
135.11792	6.0
137.09613	6.5
142.07794	4.9
145.04955	11.2
145.10155	11.2
147.04437	8.6
147.08047	8.9
147.11647	20.8
149.07413	5.4
149.09596	6.7
151.03839	6.1
157.10202	10.1
161.09570	6.1
163.03935	4.0
163.11168	16.4
163.13303	35.7
164.13644	29.3
165.12758	9.2
175.11168	11.1
177.08925	4.4
181.12219	5.4
189.05446	5.4
189.12772	9.8
191.10545	5.4
193.12236	35.1
211.13286	33.8
217.12160	8.1
235.13321	30.5
249.14818	7.0
259.13354	7.1
267.15887	18.5
273.14847	14.4
287.05438	13.9
291.15942	5.0
301.14194	6.5
309.16843	14.0
315.08917	4.7
319.15332	6.5
359.03107	7.0
375.17642	8.4
429.21167	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.1
53.75851	2.0
55.01862	8.4
55.05515	18.6
56.96566	2.2
57.03439	27.3
59.04993	10.0
61.02925	11.6
65.54478	2.0
67.05505	27.3
68.99821	2.5
69.03426	34.5
69.07059	8.8
69.55418	9.4
69.55845	7.5
69.89212	2.2
70.06582	7.9
71.01339	4.1
71.04996	13.0
72.08154	4.5
73.02908	7.6
73.04713	3.3
78.46275	2.0
79.05489	28.8
81.03419	100.0
81.07056	38.6
83.04983	15.5
83.08621	14.6
84.08133	2.2
85.02912	37.5
85.06548	4.6
86.09692	8.7
89.06022	5.7
91.03962	4.3
91.05391	24.4
93.07049	22.2
95.01308	3.1
95.04366	3.7
95.04965	46.3
95.08607	13.6
97.02895	44.3
97.06533	8.5
97.10143	6.2
98.97588	3.4
99.04456	14.4
99.08110	2.4
103.03928	6.4
103.07572	3.2
105.07034	32.4
107.04967	14.8
107.08582	16.4
109.02879	22.5
109.06490	13.4
109.10175	5.4
111.04438	10.4
111.08077	7.9
115.05454	3.7
116.98615	4.6
117.06989	7.5
119.04961	3.8
119.08569	23.3
121.06489	8.9
121.10133	13.9
123.04436	17.8
123.08093	4.9
123.11704	4.5
125.09620	3.8
127.03910	25.2
128.06232	2.9
129.05476	4.7
129.07002	13.2
131.08549	13.1
133.06473	7.4
133.10124	8.8
134.99591	3.8
135.08067	6.0
135.11691	6.6
137.02306	6.7
137.05956	3.6
143.08527	3.9
145.04929	4.7
145.06586	4.3
145.10118	8.6
147.04399	7.4
147.08034	7.6
147.11688	26.3
149.05984	5.4
149.09607	6.6
153.09135	3.6
155.08656	2.3
157.10143	8.1
159.11655	2.9
161.05962	4.2
161.13261	3.4
163.03918	3.0
163.11179	28.1
165.12801	12.1
167.05559	5.8
169.45757	2.5
171.11664	5.4
173.09674	3.3
175.11157	10.2
177.12675	3.0
181.12198	5.4
189.05435	4.5
189.12753	7.2
191.10680	2.9
193.12259	35.1
203.14404	2.5
205.12242	6.2
207.13774	5.4
211.13293	48.5
217.12201	4.5
227.12654	2.6
229.14429	2.6
235.13318	24.3
249.14845	6.0
253.14177	3.4
259.13358	5.6
267.12030	10.3
267.15918	18.1
273.14899	13.3
277.14212	2.9
285.10062	3.7
285.17075	11.4
291.15906	2.3
301.14297	7.4
309.17023	13.0
315.04874	6.0
319.15421	3.1
339.05048	5.5
359.02899	4.9
369.05841	5.4
375.17932	6.2
381.06091	2.3
393.19183	2.8
411.19855	7.2
429.21176	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01872	4.3
55.05510	15.3
57.03435	14.6
60.35922	1.7
65.03937	2.1
67.05502	16.8
69.03429	26.4
69.07056	8.3
69.31522	9.5
69.31957	9.4
71.04993	7.7
73.02916	3.5
79.05490	16.5
81.03419	82.9
81.07061	21.7
83.04984	16.2
83.08618	20.2
85.02903	18.5
87.04420	2.0
88.80103	1.6
91.05442	20.5
93.07047	14.1
95.04964	23.5
95.08601	5.8
97.02891	43.5
97.06534	3.7
97.10185	4.0
99.04460	5.3
105.07016	12.3
107.04970	5.3
107.08596	7.6
109.02893	12.7
109.06526	4.4
109.10178	2.7
111.04453	8.1
111.08072	10.3
117.07008	2.1
119.08552	13.2
121.10106	8.5
123.08035	2.1
125.09645	2.3
127.03907	12.0
129.05511	5.3
129.06964	8.4
131.08597	9.7
133.06583	1.9
133.10121	8.7
135.08101	2.5
135.11681	3.2
136.06210	2.2
137.09535	1.8
138.05547	2.6
145.10121	2.9
145.72206	1.6
147.08142	3.3
147.11685	13.0
149.09630	3.7
151.07523	3.7
153.12709	2.0
157.10146	12.3
163.11209	4.5
165.12758	3.8
167.05510	2.2
171.06522	1.9
175.11162	12.9
181.12234	3.2
183.06490	1.9
191.10628	3.4
192.04105	1.9
193.04848	3.1
193.12244	61.2
211.13298	100.0
226.61880	1.9
227.12717	3.3
229.14420	4.9
235.13266	3.6
247.13345	1.9
249.14951	6.6
285.17053	13.4
289.14438	1.9
309.17291	2.0
355.17569	4.4
393.19302	2.0
411.20151	3.4
429.21146	36.4
429.25931	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.01863	6.7
55.05508	18.9
57.03437	15.3
61.02933	2.3
65.78599	1.9
67.05497	22.9
69.03431	33.0
69.07064	7.5
69.32135	6.5
69.32548	15.9
70.06573	2.9
71.01350	2.4
71.04990	9.5
72.08155	3.7
73.02920	3.0
79.05496	21.7
81.03415	100.0
81.07058	28.4
83.04980	21.6
83.08622	23.9
85.02905	34.7
85.06561	3.0
86.09697	15.4
91.05447	25.4
93.07033	17.7
94.15337	1.9
95.04965	35.6
95.08587	10.4
97.02888	52.2
97.06529	3.4
97.10158	4.8
99.04452	9.1
101.02361	4.3
103.03928	2.9
103.84009	2.0
105.07037	21.6
105.38882	2.3
107.04948	8.7
107.08577	9.6
107.34476	1.9
109.02870	19.1
109.06487	5.1
109.10117	3.5
111.04424	8.6
111.08095	11.0
115.05467	2.2
117.07016	3.2
119.08561	15.5
121.02873	2.1
121.06495	5.1
121.10139	9.0
123.04449	5.4
123.08024	4.2
123.11677	3.4
125.09605	4.1
127.03932	17.1
129.05504	4.6
129.06999	10.5
131.04948	3.0
131.08595	11.1
133.06494	4.3
133.10130	9.6
133.60332	1.9
135.08038	2.4
135.11691	3.4
135.92453	2.4
137.09619	2.8
143.08559	2.7
145.04982	3.7
145.10135	3.7
147.04407	5.3
147.08025	2.9
147.11681	20.9
149.05949	2.7
149.09624	7.2
151.03874	2.2
157.10107	14.4
163.11220	12.5
165.12785	5.1
167.05539	3.5
175.07489	2.1
175.11177	15.7
181.12190	4.0
189.12654	4.0
191.10683	3.6
193.12231	64.5
199.11082	2.1
199.18098	3.1
201.12407	3.0
203.14044	3.7
211.13283	91.3
214.52730	2.1
227.17648	2.8
229.14366	4.5
235.13252	6.1
247.13374	3.8
249.14902	7.4
267.15948	6.3
281.83630	2.4
285.16931	15.2
301.14078	3.7
309.16879	5.0
313.16519	3.1
355.17514	2.3
411.20111	6.3
429.21310	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54520	2.0
53.03932	9.0
55.01872	6.4
55.05508	19.2
57.03439	17.7
65.03928	3.3
67.05504	27.3
69.03426	40.4
69.07055	7.9
69.60820	15.8
70.06578	4.7
71.01336	2.2
71.04977	8.6
73.02923	4.7
79.05486	25.5
81.03415	100.0
81.07049	24.6
83.04977	22.8
83.08614	22.8
85.02898	33.6
85.06569	3.2
86.09709	5.8
91.05444	25.3
93.07050	19.4
95.04961	31.6
95.08602	13.7
97.02886	63.8
97.06547	5.9
97.10149	6.3
98.20776	4.5
99.04446	8.2
101.02388	3.9
105.07027	25.3
107.04958	7.7
107.08586	11.9
109.02865	18.3
109.06538	6.6
109.10116	3.1
111.04425	10.2
111.08101	9.9
117.07022	5.2
119.08594	17.1
121.06504	2.7
121.10140	17.1
123.04485	3.0
123.08083	4.1
123.11726	4.5
125.09641	4.3
127.03922	21.9
129.05470	3.5
129.06995	11.4
131.07678	1.9
131.08559	11.2
133.06488	4.1
133.10153	8.8
135.11688	2.9
137.05933	2.4
137.09573	2.8
139.03821	2.4
145.05048	2.7
145.06496	2.6
145.10098	6.7
147.08069	6.1
147.11691	17.9
149.09610	8.2
151.07516	2.5
153.12674	3.0
157.06465	2.3
157.10167	13.3
163.11176	16.1
165.12701	5.5
169.10088	2.4
175.11188	16.7
181.08598	6.5
181.12196	5.0
183.06592	2.8
189.12805	2.6
191.10606	3.5
193.12238	65.6
211.13277	88.8
223.13474	2.4
227.12723	3.3
229.14412	2.5
235.13341	4.1
249.14853	8.1
267.15845	4.9
285.16940	13.2
355.17508	3.1
359.03183	3.3
371.17001	4.8
411.20074	6.8
429.21103	82.1
430.21365	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2095
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
51.42189	0.4
53.21657	0.4
57.03418	0.6
65.03933	0.5
65.45229	0.4
67.05494	0.6
68.21197	0.4
69.03425	1.5
70.06590	3.8
71.57184	0.9
72.08155	0.8
73.04750	0.5
77.75324	0.4
79.05468	0.8
81.03401	1.0
81.07037	0.8
83.04946	0.6
84.04504	0.6
84.08157	0.9
85.02905	2.2
86.09703	1.2
91.05833	3.0
93.07040	0.8
93.82104	0.4
95.04977	0.7
97.02881	1.3
98.97579	0.4
105.07020	0.7
107.08573	1.2
109.10076	0.5
111.04448	0.7
119.01887	0.5
119.03467	0.6
119.08610	0.7
121.10120	1.0
122.05968	0.5
127.03954	0.8
135.04419	0.5
135.07951	0.5
138.05482	0.6
147.04369	1.0
150.07671	0.6
151.03795	0.5
155.53772	0.5
163.03889	1.4
163.11160	0.5
164.04266	0.8
167.05574	1.3
175.06071	0.7
175.59953	0.4
176.06158	0.8
187.87178	0.5
189.12749	0.6
195.01186	2.7
203.05305	2.1
249.14745	1.3
273.09375	0.6
327.91360	0.5
359.02740	1.4
371.16660	1.2
388.80893	0.5
411.19958	0.5
429.20947	100.0
430.21439	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1753
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
50.64465	1.0
52.39389	0.8
53.03947	6.6
55.01863	6.1
55.05511	1.4
57.03429	4.5
57.07036	1.0
61.02916	3.1
67.05505	1.4
68.85129	0.9
68.99784	2.0
69.03426	25.0
69.07067	1.3
70.06586	1.3
71.04988	3.6
71.12838	1.9
71.94333	1.0
73.02918	4.7
79.05489	4.8
81.03412	22.2
81.07053	4.7
83.04976	2.8
85.02901	44.9
85.06532	0.9
86.09676	1.4
86.92041	0.9
87.00826	14.7
89.31976	0.7
91.03951	1.6
91.05424	7.2
93.07038	9.9
95.04965	15.5
95.08591	2.2
97.02887	16.5
99.04446	9.3
103.03954	1.7
105.01855	13.5
105.07025	9.3
107.05016	1.1
107.08591	14.1
109.02872	22.1
109.06508	2.1
114.19829	0.9
115.97782	0.9
117.01811	2.0
117.07015	3.3
119.08542	5.5
121.06489	3.2
121.10139	10.7
123.04413	1.0
125.05994	1.1
126.40163	0.8
127.03910	38.7
128.06161	0.9
129.01817	2.6
129.07047	1.4
130.07776	3.3
131.08482	0.9
133.06548	1.1
133.10100	1.2
135.08046	1.0
135.11682	6.2
136.07607	1.0
137.05984	1.5
143.08533	1.1
145.04942	10.9
145.10112	13.3
147.02873	2.8
147.08066	2.5
148.08841	1.0
149.06021	1.1
159.02892	13.8
161.09735	1.0
163.11174	100.0
164.11554	2.4
165.12788	1.5
167.05614	1.1
167.07036	2.3
175.11156	2.7
181.12254	4.4
189.03937	2.0
189.12764	0.9
191.26384	0.8
193.12206	1.2
199.20088	0.9
205.12257	5.3
211.13347	1.0
213.03981	1.0
223.13235	7.0
231.05014	8.3
249.14771	1.4
249.18573	1.7
260.14746	0.8
267.15836	1.6
393.15399	2.0
411.16269	1.2
429.21051	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72202	0.9
53.03929	2.2
55.01866	1.8
55.05511	4.9
57.03429	1.7
65.03938	1.4
65.26056	1.0
67.05501	4.2
69.03429	6.7
69.07056	3.8
70.74036	1.7
71.04989	1.3
71.43929	0.8
73.38889	0.8
77.03927	1.3
79.05495	10.5
81.03404	4.1
81.07060	12.0
83.04967	2.5
83.08608	1.1
85.02905	4.3
85.06523	0.8
91.05408	7.5
93.07052	10.5
95.04958	5.3
95.08594	6.6
97.02892	1.9
97.06511	2.4
97.10152	1.0
97.99016	0.9
99.00791	1.6
99.04433	1.0
103.05454	4.5
105.07029	13.8
107.04953	3.5
107.08578	5.3
109.02867	2.8
109.06521	4.0
109.10155	4.4
111.04447	3.3
111.08095	1.2
115.05455	2.8
117.07011	2.4
119.04931	2.3
119.08582	4.3
121.02892	1.3
121.06508	2.7
121.10133	3.6
123.04408	3.7
123.08076	2.2
123.11735	1.4
125.06009	1.2
125.09628	1.3
127.03915	2.6
128.06250	1.0
129.06996	2.3
130.07736	0.9
131.08569	2.3
133.06470	3.4
133.10118	3.2
134.94725	0.8
135.04416	2.6
135.08055	1.7
135.11655	2.3
137.02327	2.5
137.05980	29.1
137.09537	1.7
137.13242	1.4
143.08527	1.7
145.02869	1.7
145.06454	1.8
145.10089	3.1
147.04395	2.4
147.08049	1.5
147.11656	2.0
149.02412	1.2
149.05943	4.1
149.09633	1.1
149.13240	1.5
151.07526	9.5
155.07019	4.4
155.08502	1.0
157.06500	0.8
157.10146	2.2
159.08026	1.5
159.11694	1.4
161.06009	6.0
161.09709	1.3
161.13281	0.8
163.03903	95.8
163.07535	64.1
163.11163	4.8
164.04192	1.1
164.07866	1.3
165.05486	4.1
165.09105	2.0
166.52240	0.9
167.05644	1.1
167.07057	0.8
171.04437	1.3
173.05925	1.2
173.09560	1.0
173.13193	1.0
174.06744	2.0
175.03920	1.6
175.07529	4.7
177.05482	1.9
177.09120	2.8
181.04958	100.0
181.08504	13.8
182.05382	1.1
183.08113	0.9
185.06122	1.0
185.09737	1.1
187.03926	1.6
187.07483	2.3
189.05455	15.5
189.09108	9.1
191.10660	1.8
192.84915	0.8
193.08514	1.1
201.09120	3.5
203.06998	1.0
203.10631	1.7
211.07544	3.0
213.05545	0.9
217.04971	11.8
217.19576	1.0
229.08565	13.6
235.06009	18.1
239.06979	1.5
239.10721	0.9
247.09625	2.7
253.06981	4.3
257.08127	6.8
265.76764	0.9
275.09131	1.7
281.07935	0.9
296.25620	1.0
299.09180	2.1
301.10791	2.2
325.14328	9.6
342.99887	1.0
347.12421	2.0
359.02643	1.2
365.13690	5.4
379.31491	0.9
393.13239	2.7
411.14301	6.6
429.14969	5.4
429.20782	1.0
429.30237	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.4
55.01867	1.5
55.28493	1.0
57.03437	2.8
57.92136	1.1
60.04491	5.1
61.02923	6.3
65.03925	1.5
65.48866	1.3
69.03424	11.3
70.02953	9.2
71.03480	2.4
71.03799	1.3
71.04995	2.1
73.02895	1.8
73.04748	2.2
74.71996	1.2
80.05033	1.4
81.03413	5.0
85.02431	2.0
85.02900	25.0
87.04465	1.5
88.03987	39.2
91.05817	7.5
92.04990	3.5
93.27739	1.5
97.02885	11.4
99.00819	6.3
99.04451	2.6
109.02853	4.1
110.06035	100.0
111.04470	1.7
111.73649	1.5
114.52250	1.5
116.03416	2.5
120.04431	3.7
127.03915	6.4
130.04984	10.0
134.06010	3.7
136.03894	10.0
145.04953	3.1
152.07051	2.6
158.04477	30.6
162.05496	59.6
163.04047	1.2
166.04955	7.1
167.05537	3.8
172.03851	3.1
179.08127	3.9
180.06625	1.8
190.04976	52.8
207.07643	3.7
208.06038	20.4
225.08699	2.1
249.08699	11.9
267.09744	37.6
272.11447	1.6
338.86923	1.2
359.02661	7.0
429.14948	6.4
429.20865	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01857	1.4
55.05511	3.4
56.65022	0.4
57.03437	0.8
62.18647	0.5
65.03946	0.5
65.12969	0.5
67.05502	3.9
69.03430	2.2
69.07071	3.2
71.04980	1.1
71.58515	0.6
73.02917	0.5
77.03941	0.5
78.77320	0.6
79.05494	6.5
81.03428	3.3
81.07063	7.6
83.04961	1.3
83.08619	1.0
85.02898	1.9
85.06530	0.9
87.00822	0.8
91.05488	3.7
91.05950	0.6
93.07038	4.4
95.04952	3.9
95.08617	5.3
97.02907	1.6
97.06539	0.9
97.10162	1.4
98.10672	0.4
99.04420	0.8
103.05477	4.7
105.01861	0.7
105.06309	0.8
105.07032	16.3
107.04927	0.8
107.08598	3.4
109.02876	2.6
109.06509	2.0
109.10157	3.4
111.04466	0.5
111.08061	0.5
111.60974	0.5
115.05442	1.3
117.07008	1.5
119.08597	3.4
120.05701	0.8
121.06487	1.0
121.10143	3.3
123.04487	0.5
123.08069	1.5
123.11690	2.0
125.06059	0.8
125.09688	1.0
127.03912	3.2
129.06999	1.3
131.04924	1.8
131.08563	1.4
133.06505	1.6
133.10168	2.2
135.04395	1.5
135.08070	2.1
135.11685	1.5
137.05989	2.0
137.09598	0.9
137.13271	1.5
139.03911	0.8
139.07549	0.5
139.11249	0.6
141.07033	0.4
143.08589	0.8
145.04916	0.5
145.10127	1.6
147.04420	0.7
147.11678	1.3
148.05237	1.2
149.06007	1.1
149.09654	1.0
149.13258	1.4
151.07539	6.9
153.05473	0.6
155.08597	0.6
157.10110	0.8
159.02998	0.6
159.08054	0.8
159.11697	0.9
161.09612	0.9
161.13240	0.7
163.07542	100.0
163.11156	2.7
164.07899	1.6
165.09142	1.1
167.05556	0.8
175.07497	0.7
175.11153	0.9
177.09088	0.8
179.06976	0.6
181.08597	68.9
182.08882	1.0
183.11742	0.8
185.13303	0.7
187.03946	0.7
189.09105	0.9
191.10712	1.1
193.08594	3.9
199.03960	0.5
201.09201	0.6
203.14369	0.6
203.18092	0.6
205.12250	0.9
211.13223	0.5
213.05460	0.9
273.14798	0.6
280.14307	0.6
359.02780	1.3
411.29092	0.8
429.18936	2.9
429.29831	1.6
452.96716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01871	0.6
59.97375	0.3
64.86040	0.4
67.05476	0.4
69.03422	0.7
69.07050	0.4
70.02968	1.8
77.37719	0.4
79.05493	4.5
81.03439	0.5
83.48881	0.5
85.02898	0.9
91.05436	2.1
91.16515	0.4
95.04961	2.0
97.32536	0.4
98.21452	0.5
101.38950	0.4
103.05461	6.6
105.07030	14.5
107.08591	0.4
115.05409	0.7
120.05713	0.9
123.08080	0.5
131.04913	1.9
133.06502	2.2
134.45766	0.5
135.04422	1.1
135.08052	1.1
148.05194	1.1
149.05968	0.7
150.95105	0.5
151.07561	2.0
163.07536	100.0
164.07870	1.5
181.08589	71.1
182.08907	1.5
202.52107	0.4
207.26933	0.5
278.17886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87044	0.3
53.03928	0.6
55.01863	1.0
55.05507	1.1
56.96548	0.6
57.03409	0.3
61.02935	0.3
67.05499	1.2
69.03422	1.3
69.07064	0.8
69.39070	1.0
69.39497	2.0
71.04990	0.8
76.61938	0.3
79.05058	0.5
79.05486	5.7
81.03407	1.4
81.07041	1.8
83.04982	0.6
83.08602	0.3
85.02903	1.5
91.05430	3.1
93.07039	1.0
95.04951	1.7
95.08602	1.7
97.02891	0.7
97.10169	0.3
98.20786	0.7
103.05453	6.0
105.01857	0.4
105.07024	15.6
106.07365	0.4
107.04963	0.7
107.08579	3.3
108.08926	1.2
109.06500	1.2
109.10159	0.8
115.05462	0.8
117.06988	0.8
119.08547	0.9
120.05726	0.9
121.06475	0.6
121.10175	0.6
123.08073	0.8
123.11710	0.6
125.09591	0.4
127.03901	0.9
131.04921	2.4
131.08580	0.3
133.06462	2.3
133.10075	0.6
135.04405	1.1
135.08002	2.2
136.06165	2.9
137.05862	0.6
137.09543	0.3
145.06540	0.3
145.10136	0.6
147.11696	0.6
148.05182	0.8
149.05988	1.4
149.09587	0.3
151.07521	2.5
159.11661	0.4
161.05952	0.3
163.07526	100.0
164.07884	1.4
165.09129	0.7
176.09258	0.7
177.09251	0.6
181.08578	69.0
182.08963	1.4
183.11757	0.4
191.10738	0.5
193.12294	0.3
259.61533	0.3
275.20279	0.5
276.20526	0.5
349.16882	0.4
359.02560	0.5
429.19479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38530	0.2
53.03947	1.0
55.01867	1.0
55.05504	0.4
57.03443	0.4
61.02898	0.3
66.32513	0.2
67.05491	0.8
69.03418	1.0
69.07074	0.6
71.03320	0.6
71.04992	0.5
73.02914	0.3
75.05251	0.3
79.05489	4.4
81.03424	0.8
81.07063	0.9
83.04979	0.3
85.02911	1.2
87.00821	0.7
91.05453	2.4
92.06274	0.3
93.07018	0.8
95.04955	1.5
95.08624	1.3
97.02896	0.5
97.10156	0.3
99.04458	0.4
103.05469	6.2
105.07030	15.0
107.08584	0.8
109.02885	0.7
109.06491	0.7
109.10190	0.7
115.05438	0.6
119.08583	0.5
120.05715	1.0
121.06525	0.3
121.10126	0.5
123.08085	1.3
127.03912	0.5
131.04924	1.7
133.06488	1.8
135.04434	0.9
135.08051	2.0
137.05965	0.7
143.08562	0.3
144.08095	0.3
145.10196	0.4
147.04419	0.3
148.05202	0.9
149.05992	1.1
151.07538	8.6
159.02855	0.3
159.11684	0.4
163.07538	100.0
164.07851	1.9
171.22983	0.2
175.11244	0.3
175.17625	0.3
181.08591	62.9
182.08992	1.6
189.09126	0.4
189.12822	0.3
191.10680	1.3
197.98727	0.3
205.12282	0.3
372.25876	0.3
429.19397	0.4
441.63562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77508	4.9
57.03421	10.0
60.90989	4.6
66.67177	5.0
67.05489	10.4
69.03429	34.9
70.06577	14.6
70.43990	4.5
70.82486	16.1
74.92381	5.1
79.05475	9.6
81.03406	9.0
81.07051	9.0
83.04967	9.4
84.04496	19.4
84.08150	8.4
85.02902	58.2
86.09715	6.4
91.05468	21.9
93.07021	17.1
94.95387	4.5
95.04937	5.6
96.08164	4.6
97.02881	14.3
98.06061	7.6
98.09640	6.4
99.04429	5.5
100.07585	8.9
103.07594	7.8
105.03385	5.7
105.06989	26.7
107.04941	5.9
107.08558	14.9
108.08091	28.8
109.02837	7.3
109.06535	8.0
109.10178	5.5
110.06049	9.9
111.04476	5.3
117.07010	8.3
119.08601	27.4
121.06509	6.7
121.10156	24.3
123.08043	18.0
123.11661	7.9
126.05500	19.9
127.03919	11.1
131.08540	8.2
133.10138	6.0
135.04395	8.3
145.04973	8.2
145.10118	19.6
146.06012	8.5
147.06268	5.6
147.08047	15.6
147.11694	13.2
149.09630	100.0
150.09160	7.4
156.09276	6.4
160.11189	5.4
163.11205	11.4
167.10684	16.7
172.11179	11.3
174.10410	5.1
175.33900	5.2
179.03468	11.1
180.03769	10.3
180.10205	36.5
186.07594	7.4
186.12749	9.0
188.14360	23.8
189.12743	22.8
204.08690	28.2
204.13821	11.8
206.15381	11.0
207.13843	5.5
212.14362	6.1
230.15375	28.9
248.16399	46.9
258.55539	5.1
266.17508	68.2
368.20462	7.2
410.16617	5.2
410.21536	34.1
411.45490	5.0
428.22754	75.7
429.21054	59.7
450.20880	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.3
57.07072	9.9
58.47204	3.4
64.95110	3.9
67.05488	5.8
67.44064	3.6
69.07059	27.7
71.08631	4.5
72.44447	3.3
79.05517	4.0
81.07049	10.3
83.08612	10.8
93.07037	9.1
95.08600	17.0
97.10173	7.0
105.07015	4.5
107.08616	5.2
109.10141	8.4
119.08607	6.1
135.08061	4.2
137.09636	8.5
149.09567	11.3
163.11168	4.2
165.09106	100.0
175.11201	4.9
177.09122	7.9
179.10612	4.2
191.10663	6.6
203.10675	8.6
205.12122	8.3
246.29916	4.0
304.78848	3.9
427.35883	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52645	1.0
52.73909	1.1
53.03942	3.3
55.01859	4.9
55.05507	5.4
57.03434	2.8
57.07072	11.5
61.02914	2.2
61.39336	1.0
67.05499	2.2
68.99790	1.4
69.03429	12.6
70.05112	3.9
70.05518	2.1
71.04986	3.1
73.02912	2.5
79.05491	1.8
81.03416	15.0
81.07053	1.6
83.08616	4.0
85.02905	36.3
87.00825	14.5
87.04449	1.3
89.06034	30.2
91.05457	2.6
93.07036	1.4
95.04968	1.6
96.67822	1.1
97.02889	14.6
98.20781	1.2
99.04478	5.2
101.09658	16.2
105.01868	11.5
105.07023	1.3
107.07065	33.7
107.08598	1.0
109.02888	12.3
111.04326	1.1
117.01847	2.6
127.02978	1.3
127.03928	21.4
145.04955	8.3
145.12202	1.8
159.02875	8.1
162.03683	1.3
163.13293	100.0
164.13666	1.6
180.04828	1.3
211.13374	1.6
213.03902	1.9
227.34525	1.1
231.04985	2.8
235.13249	1.2
270.90829	1.2
287.05557	1.9
429.20901	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04549	0.3
63.50206	0.2
69.03423	0.2
70.06587	0.6
71.24293	0.3
79.05471	0.2
82.54337	0.2
83.44029	0.2
85.02882	0.6
90.25883	0.2
94.04047	1.2
95.06073	0.3
97.02899	0.2
98.44202	0.2
98.97564	0.3
104.53511	0.2
112.05083	0.4
119.03575	0.2
123.03307	0.2
123.04430	0.5
123.06688	1.0
124.07587	0.3
129.90923	0.2
133.05043	0.3
135.05385	0.2
136.07597	0.4
146.05978	0.3
148.06250	0.4
150.07744	100.0
151.08167	1.0
179.03444	0.6
247.11877	0.2
247.46719	0.2
249.07802	0.2
264.12335	0.3
265.12820	0.8
265.15546	0.2
282.11902	1.1
295.11496	15.6
296.11682	0.3
338.95908	0.2
360.20889	0.2
385.28546	0.2
427.19733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86110	5.3
55.05497	8.6
56.96549	19.3
57.07066	9.3
67.05490	12.2
69.03419	17.4
70.06570	20.8
71.58097	8.0
72.08160	10.7
81.03416	8.8
81.07056	9.9
83.04955	7.2
85.02905	31.0
85.44131	5.9
86.09704	9.0
91.05463	19.6
93.07031	13.3
95.08617	8.5
96.47198	6.3
97.02878	15.1
98.97581	57.9
100.46859	5.5
105.07011	10.5
107.04897	6.3
107.08589	7.0
109.02867	7.4
109.06509	9.1
109.83856	5.8
116.98610	43.6
119.08591	8.3
123.08130	7.7
124.07581	10.1
127.03894	6.5
129.06976	6.0
133.10069	7.3
134.99663	20.7
135.08022	7.7
136.07611	8.9
145.04907	6.4
145.10045	8.5
146.06026	21.7
151.07449	6.7
158.99701	7.0
177.00722	14.4
179.03363	50.7
187.11234	8.0
201.04254	7.1
207.13724	7.5
213.08037	8.1
219.01778	6.1
237.02763	17.6
241.07410	9.0
242.08109	12.4
247.09616	8.1
248.16461	10.3
250.76932	6.9
253.40985	6.0
265.11111	10.0
265.15353	8.7
266.17633	7.4
278.12515	6.7
283.12173	19.6
286.07065	7.4
307.12134	21.3
313.17999	7.6
325.13171	29.8
363.40985	6.8
383.16675	12.4
394.70001	7.5
427.17490	100.0
428.23071	8.3
445.17258	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.44743	9.2
53.58650	9.4
55.05503	11.6
67.05486	19.6
69.07071	21.1
70.85361	28.4
71.51459	11.7
81.07054	43.2
93.07043	24.9
95.08608	80.6
101.56900	9.2
105.07019	13.8
107.08585	31.5
109.10165	57.4
119.08630	23.4
121.10140	41.0
123.11681	25.1
133.10115	17.5
135.11710	15.9
136.38097	10.1
137.13193	12.4
143.47462	8.8
147.11694	17.0
161.13248	14.9
163.14890	14.0
168.03726	8.7
173.13283	13.4
191.17986	21.1
196.44432	10.6
201.16325	13.7
215.17892	12.5
221.80537	9.4
266.54230	9.7
271.24030	11.2
326.48804	10.0
335.28235	10.9
407.36676	13.6
425.37698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46426	4.2
53.03951	4.6
55.01863	7.8
55.05512	29.0
57.03434	5.7
57.07072	6.5
65.03959	4.4
67.05177	5.7
67.05505	86.8
69.03426	31.9
69.07066	30.8
71.01343	5.6
71.05000	7.5
71.08636	5.2
71.58991	5.8
73.02893	5.1
77.57473	3.6
79.05490	45.2
81.03419	43.8
81.07053	100.0
83.04968	7.3
83.08179	3.3
83.08604	20.3
85.02897	13.8
85.06539	6.0
91.05482	40.0
92.19488	3.4
93.07034	54.0
95.04950	14.2
95.08600	77.6
97.02918	9.0
97.06513	6.4
97.10164	12.5
99.04437	12.9
105.07018	34.8
107.04930	6.4
107.08601	38.5
109.06499	8.8
109.10146	36.2
110.05950	4.5
111.04436	10.5
117.07001	10.5
119.08570	28.1
121.06499	5.1
121.10156	22.5
123.08098	5.5
123.11704	11.1
127.03946	7.6
128.06268	4.4
129.07011	10.4
131.08574	19.5
133.06519	5.2
133.10123	26.7
135.08047	6.0
135.11684	17.0
137.09602	6.3
137.13239	10.5
142.07684	4.3
143.08560	10.3
145.10100	15.5
147.08058	5.4
147.11679	15.8
149.13231	13.8
151.07491	5.0
155.08511	4.4
157.10091	11.4
159.11674	12.0
161.13312	12.1
163.11134	4.7
163.14778	5.7
171.11691	6.0
173.13229	7.3
175.11176	5.6
175.14807	9.7
175.30153	3.6
177.16412	6.2
179.14259	4.4
187.14841	6.2
189.10938	3.9
189.12798	4.5
193.16013	3.9
199.14848	4.9
201.16425	5.0
235.13239	4.3
255.45781	3.8
261.22009	6.8
263.23752	8.8
275.23929	4.6
293.24796	4.9
303.23343	5.4
305.24802	4.4
315.23276	4.7
321.24167	4.6
344.12140	3.9
344.69162	3.8
353.24506	5.0
371.25909	19.6
389.26764	15.0
407.28088	12.3
410.13239	5.0
425.15872	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05522	0.5
67.05504	0.7
69.03419	1.1
70.06591	4.0
71.57992	0.8
72.08159	0.8
72.23534	0.6
79.35464	0.4
81.03397	0.7
81.07051	1.3
85.02917	1.4
91.05491	1.0
93.07067	1.3
93.78304	0.5
95.01977	0.6
95.08604	1.3
98.97588	0.9
101.00898	0.6
102.61755	0.5
105.07043	1.5
107.05000	0.7
109.02897	1.2
117.07051	0.7
119.01915	4.9
119.08586	1.3
120.08132	0.6
121.06512	0.8
126.05540	0.6
131.01888	0.6
135.08099	0.6
135.11700	0.8
136.07570	0.6
136.44327	0.5
137.02975	0.9
143.01927	2.2
151.07529	0.8
159.08083	0.7
161.02972	3.2
161.05914	0.6
164.07074	1.2
177.05479	0.9
181.08678	0.5
185.04276	2.4
187.11177	0.8
203.05321	1.7
211.14421	1.0
223.08032	0.8
223.67152	0.5
255.14384	0.9
263.12585	3.9
269.08688	3.2
279.14493	2.7
297.15512	1.0
299.13547	0.5
310.21170	0.5
323.13397	10.1
341.14404	2.7
346.15103	0.7
353.14618	0.5
358.08206	0.6
365.14450	3.1
383.15359	0.8
413.15750	0.7
425.17801	100.0
426.18213	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
55.32822	1.9
55.91910	2.0
56.96538	9.1
63.88611	2.1
67.05478	2.2
69.03401	5.2
69.07028	2.5
70.06560	5.6
71.57668	3.3
73.57186	2.3
76.07285	2.3
79.05478	2.3
81.07022	3.4
85.02869	6.2
86.09679	3.0
91.05441	5.3
91.60974	2.2
93.07021	2.7
95.04914	6.5
95.98017	2.4
97.02859	3.3
98.51808	2.5
98.97540	6.4
105.06971	3.0
109.06451	3.6
109.18085	2.0
116.98593	4.9
120.42025	2.6
121.10069	3.1
123.04425	3.2
123.11671	2.4
128.98564	3.7
136.07599	15.0
138.05377	2.2
145.06366	2.1
146.99634	3.9
149.09550	6.7
164.07065	11.7
175.02682	5.6
177.00600	2.4
177.05411	6.1
179.03671	7.0
187.03897	2.5
189.12706	2.3
197.04884	20.8
203.06850	2.9
211.24895	2.1
215.05867	13.6
219.01567	3.9
219.06827	2.2
223.06364	5.5
233.06810	2.6
237.02776	16.0
241.07321	3.5
245.08121	14.4
257.12866	5.1
263.09106	23.6
281.10437	6.8
299.11511	3.9
323.11505	3.3
425.14249	100.0
426.14450	3.9
443.15643	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42245	0.7
56.96548	2.1
58.99870	0.8
59.86152	0.7
60.51189	0.8
69.60011	5.2
70.06582	3.3
71.52576	0.7
78.67489	0.8
82.99843	1.5
84.08138	1.5
85.02885	1.7
97.02886	2.0
98.21529	0.8
98.22655	0.7
98.97580	1.9
101.00875	9.6
103.01229	0.8
105.00386	1.0
109.02884	1.4
113.00864	1.3
116.07075	0.8
116.98582	1.6
119.01923	35.0
120.02022	0.9
123.30588	0.8
128.98589	1.1
131.01904	12.9
133.03410	1.1
136.07550	1.3
137.02953	5.8
142.03427	1.2
143.01888	23.6
144.02090	1.2
145.03461	12.4
146.99568	0.8
147.01321	1.3
149.02896	2.0
149.71248	0.8
155.01874	11.8
157.03485	6.8
158.99654	0.9
160.34669	0.7
161.02948	60.9
162.03061	1.4
163.04536	2.2
167.01851	4.7
169.03459	3.0
171.05034	2.6
173.02956	23.2
174.03151	0.9
175.04535	3.1
177.00697	1.6
179.01877	2.5
179.03976	1.5
184.04529	2.2
185.02953	40.3
186.03082	0.9
187.04494	3.8
189.00641	1.4
190.98557	1.3
191.02264	1.1
191.03966	7.5
197.02960	15.9
203.03999	18.7
208.04463	1.2
209.02957	1.2
213.12283	1.4
215.03969	9.3
219.01743	1.1
221.05116	2.5
227.03960	7.9
233.05002	0.9
237.02867	1.1
239.03915	0.9
245.05064	100.0
246.05287	3.7
257.05075	4.9
263.06107	26.9
267.31711	0.9
275.06100	12.4
281.02048	0.8
286.07748	2.0
293.07169	4.0
305.07257	7.1
323.02921	1.0
335.08118	1.6
365.09286	2.5
425.06769	2.2
425.11496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	14.9
59.42691	3.4
64.95685	2.9
66.96587	3.2
67.05509	3.2
69.03418	7.7
69.46512	28.3
81.03401	5.4
85.02872	5.8
85.06570	2.9
86.09695	5.1
91.05460	3.8
95.08592	3.4
97.02898	3.4
98.97580	48.7
105.07008	3.6
106.02900	4.3
107.04987	3.6
116.98625	42.0
122.20012	3.8
124.03979	5.6
124.07590	7.8
134.99638	22.0
146.10959	3.1
148.77025	2.9
158.99609	5.2
177.00723	7.3
177.05446	7.8
189.12730	3.5
202.07060	3.1
203.33203	3.1
212.88367	3.4
259.08124	3.5
260.85330	2.8
263.09448	15.8
281.10641	15.8
285.18652	3.4
305.10608	8.0
323.11633	32.5
341.12692	13.0
346.13107	3.9
365.12582	6.2
425.15585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	13.9
57.03440	4.3
65.17263	3.8
68.05016	3.2
69.03423	15.3
69.83718	20.0
70.06583	8.9
71.04977	3.0
73.02895	3.4
81.03382	4.2
84.04484	4.2
84.08139	54.3
85.02909	19.2
97.02882	12.4
98.21431	3.3
98.97575	28.0
99.04445	3.6
101.00864	7.7
101.07122	30.1
107.04882	3.6
110.07122	6.1
115.02422	4.0
116.06996	3.8
116.10838	3.2
116.98639	20.4
119.01899	20.9
127.03929	7.2
127.12292	11.1
128.98598	9.9
129.10249	7.6
130.08636	7.7
131.01906	8.3
133.03410	5.6
134.99638	7.4
136.07550	7.3
138.05484	3.0
143.01852	18.3
143.27739	2.9
145.03436	7.2
145.05005	3.5
146.99680	7.5
147.05008	4.2
147.11328	4.7
149.01241	8.1
155.01900	10.3
157.03448	6.3
161.01321	5.5
161.02953	46.0
165.06194	3.3
167.01944	3.2
170.99678	3.7
171.05037	9.4
173.01454	4.1
173.02950	17.0
175.04521	5.1
177.00687	9.1
179.01994	3.8
185.02937	22.4
189.00604	6.1
189.06093	3.0
191.02153	3.2
195.15826	3.1
197.02974	11.5
201.06062	4.1
203.03975	11.3
205.03760	3.3
215.04036	7.0
216.98785	3.7
219.01801	10.5
219.07050	4.7
221.03041	2.8
221.05096	7.1
227.04004	4.2
231.07112	5.9
237.02805	20.9
239.04178	3.4
245.05052	67.4
245.96744	3.7
259.06662	6.3
261.99411	3.8
263.06082	17.6
275.06024	7.1
277.05728	4.4
279.03955	7.0
279.09552	3.8
281.05658	4.6
281.09052	3.8
291.09122	9.6
295.06964	12.2
305.10699	3.3
309.10159	3.3
321.10327	25.3
323.06409	3.2
383.08688	3.4
425.06082	100.0
425.11209	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72046	0.7
55.05504	1.6
56.19176	0.7
56.42933	0.7
57.03423	1.1
57.07081	7.8
58.91298	0.7
67.05495	3.8
69.07069	1.9
71.42570	1.6
79.05489	2.2
81.07039	1.8
83.05016	0.9
86.09705	29.7
91.05469	3.0
93.07038	3.1
95.04981	1.0
95.08548	1.2
97.06512	1.5
105.07027	11.1
107.08593	3.4
109.10152	1.9
117.07047	1.0
119.07814	1.0
119.08592	14.2
121.06520	4.2
121.10139	28.3
123.08089	0.7
131.08540	1.1
133.06541	1.3
133.10130	15.9
135.08023	0.9
142.07753	1.1
145.06488	0.8
145.10120	1.7
147.08044	1.5
147.11684	24.4
149.09624	0.8
157.10153	2.3
160.08739	1.2
163.11145	1.1
174.92555	0.9
175.11169	12.2
177.12666	1.2
179.14375	1.0
221.08055	2.3
222.02119	1.0
222.08369	1.9
283.16919	100.0
284.17148	4.3
339.23181	69.5
340.23569	2.1
406.16827	2.2
424.31885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72046	0.7
55.05504	1.6
56.19176	0.7
56.42933	0.7
57.03423	1.1
57.07081	7.8
58.91298	0.7
67.05495	3.8
69.07069	1.9
71.42570	1.6
79.05489	2.2
81.07039	1.8
83.05016	0.9
86.09705	29.7
91.05469	3.0
93.07038	3.1
95.04981	1.0
95.08548	1.2
97.06512	1.5
105.07027	11.1
107.08593	3.4
109.10152	1.9
117.07047	1.0
119.07814	1.0
119.08592	14.2
121.06520	4.2
121.10139	28.3
123.08089	0.7
131.08540	1.1
133.06541	1.3
133.10130	15.9
135.08023	0.9
142.07753	1.1
145.06488	0.8
145.10120	1.7
147.08044	1.5
147.11684	24.4
149.09624	0.8
157.10153	2.3
160.08739	1.2
163.11145	1.1
174.92555	0.9
175.11169	12.2
177.12666	1.2
179.14375	1.0
221.08055	2.3
222.02119	1.0
222.08369	1.9
283.16919	100.0
284.17148	4.3
339.23181	69.5
340.23569	2.1
406.16827	2.2
424.31885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.7
56.96544	14.8
67.05481	21.8
69.03410	41.6
69.07035	14.6
69.57971	100.0
70.06580	52.2
71.04992	13.9
72.08157	17.4
79.05483	16.9
81.03403	21.3
81.07052	42.1
82.84409	10.1
83.04961	17.0
84.08144	21.5
85.02896	49.3
86.09715	34.0
91.05460	27.0
93.07041	24.8
95.04933	22.4
97.02892	28.5
98.97572	14.1
99.04456	12.3
102.05551	13.8
105.07021	12.4
107.08594	24.8
109.06524	21.6
116.98606	14.3
120.08109	17.3
121.10118	46.9
123.11729	11.7
124.03958	15.2
127.03925	13.3
136.07570	33.5
142.91795	15.5
149.05937	11.0
153.09085	12.9
162.58202	10.7
163.03879	17.4
164.04199	15.6
165.05328	10.5
166.08527	12.9
166.43777	10.7
167.14270	19.2
173.13243	16.1
176.07095	15.8
209.15387	50.5
215.13901	14.2
244.09615	14.9
262.10599	26.9
287.06595	16.1
311.06982	12.5
327.28552	12.5
339.81870	12.5
357.07025	26.1
407.10791	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75122	3.5
55.05517	8.9
57.07082	6.2
60.77794	3.1
66.52880	3.3
67.05496	13.4
68.67538	3.2
69.07075	8.8
71.08643	4.5
71.58575	3.9
71.58998	4.8
72.08166	21.3
79.05500	5.9
81.07041	21.6
83.08621	3.7
85.06529	4.2
91.05462	5.9
93.07050	11.5
95.08601	14.8
105.07056	8.7
107.08580	17.5
109.06509	19.7
109.10158	11.3
115.66268	3.6
119.08581	11.9
121.10160	12.1
123.08062	32.2
123.11745	6.3
133.10161	6.1
135.08040	5.8
135.11652	8.6
145.10138	5.3
175.14867	5.1
177.16331	3.8
179.14301	88.6
193.15971	4.7
201.16444	4.3
203.18127	3.5
205.16048	5.9
269.22601	6.0
275.20261	3.3
301.35733	3.9
331.26343	49.9
332.26865	4.3
349.27188	7.9
423.31119	100.0
423.36304	14.8
424.31400	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	4.4
57.03430	4.1
60.08139	3.3
63.67272	3.5
67.04269	3.4
69.03421	4.0
70.06583	10.5
71.14364	5.5
71.14677	5.2
81.03411	5.9
81.07076	4.2
85.02895	19.0
88.11271	7.9
91.05492	4.9
95.68829	3.9
96.98000	3.5
97.02877	3.8
98.97596	6.1
103.05453	5.1
107.04930	5.4
121.06487	13.6
123.04423	4.7
124.05179	4.8
131.04958	6.6
136.07628	4.5
137.05988	7.4
149.05983	12.9
150.05333	3.8
163.03934	11.6
167.07039	100.0
177.05435	33.0
209.08093	27.4
224.64508	3.3
227.09142	47.9
237.02841	4.2
398.12082	3.6
422.30023	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76934	2.9
53.95563	2.7
55.05496	11.6
57.03442	4.5
57.07070	4.0
57.82874	3.3
65.03896	3.1
65.16384	2.9
67.05505	16.6
69.07067	16.6
70.10016	2.6
71.59069	3.5
73.02077	2.7
75.82330	2.9
79.05481	11.0
80.72752	2.9
81.07052	26.7
83.08609	8.7
85.06493	3.2
91.05465	8.8
93.07034	20.2
95.08596	35.7
96.99110	2.6
97.06539	4.2
105.07009	18.4
107.08576	25.5
109.06517	15.4
109.10146	19.4
110.71262	2.6
113.00027	22.8
119.08578	19.9
121.10163	16.1
123.08067	51.2
123.11713	7.1
131.08580	8.9
133.10168	14.3
135.08067	11.7
135.11688	12.3
137.09595	4.9
141.64967	3.1
143.08664	3.4
145.10124	12.3
147.11707	10.4
149.09596	4.4
149.13251	4.7
157.10202	5.2
159.11699	8.6
161.13243	8.9
163.14923	2.9
171.11749	3.4
173.13240	5.5
175.14883	8.7
179.14323	23.4
189.16400	3.6
191.17833	3.3
193.42470	3.2
199.52402	2.9
201.16399	7.2
215.17963	5.9
224.14830	3.0
233.19099	4.1
247.12276	3.3
247.14725	3.1
275.20093	4.8
303.26913	5.8
331.26266	45.2
349.27524	10.1
405.34772	5.8
423.31158	100.0
423.36353	16.8
424.31293	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07253	4.8
55.05507	15.7
57.07085	10.3
59.09130	4.5
62.46118	4.3
67.05495	15.9
69.07063	17.7
69.79620	4.4
70.04910	13.7
70.05303	12.1
79.05455	6.7
80.53654	5.2
81.07057	30.1
83.08624	9.1
91.05500	13.6
92.93716	5.8
93.07034	18.2
95.08601	22.0
104.35968	5.2
105.07008	16.7
107.08595	15.5
109.06518	14.7
109.10136	16.2
113.00036	32.9
115.66831	4.5
119.08607	8.5
121.10159	15.8
123.08067	65.7
133.10155	9.8
135.08061	14.0
135.11609	6.2
138.27789	5.4
145.10135	9.8
147.11676	11.0
149.13300	8.3
159.11742	4.8
177.12747	8.1
179.14297	17.2
303.26706	12.1
317.28479	4.8
331.26300	63.6
367.24887	5.5
423.31125	100.0
423.36411	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16950	1.5
55.05500	6.9
57.03437	1.9
57.07071	3.5
67.05502	11.4
69.07067	14.1
69.85298	11.5
71.08604	2.2
73.70062	1.7
78.57724	1.8
79.05489	8.1
81.07049	17.0
83.04979	2.7
83.08602	5.0
91.05484	2.2
93.07037	12.3
95.04964	2.5
95.08605	19.4
97.06566	2.6
97.10154	2.0
97.61434	1.8
103.25169	2.0
105.07034	7.5
107.08595	12.5
109.06503	19.5
109.10139	12.9
111.08104	3.4
117.07033	2.5
119.08559	10.7
121.10159	8.1
123.08056	52.1
124.08400	2.0
131.08586	3.6
133.10136	7.9
135.08043	10.5
135.11722	4.2
137.09641	5.0
143.08615	2.1
145.10126	7.3
147.11726	6.1
149.09622	4.5
159.11700	7.4
160.09497	1.7
161.13263	4.0
163.11264	1.9
171.11603	3.0
173.13307	2.4
177.12770	5.0
179.14305	37.7
179.21378	1.8
193.15773	1.8
205.15900	2.4
211.14699	1.9
233.18961	2.1
263.20056	3.8
275.20059	6.0
303.26767	6.6
331.26279	51.6
332.26627	2.4
349.27347	4.3
367.24973	3.2
423.31097	100.0
423.36148	7.1
424.31384	7.3
447.62811	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.2
55.05508	9.9
57.03422	3.0
57.07071	2.4
67.05502	14.7
69.03412	1.7
69.07074	12.3
69.41869	5.0
69.42294	7.7
71.04987	2.4
71.08625	2.3
79.05484	9.7
81.03409	2.0
81.07047	18.3
83.04964	1.6
83.08622	6.3
85.06515	2.0
91.05471	8.3
93.07056	12.0
95.08601	15.8
97.02892	4.6
97.06554	1.8
97.10164	1.5
98.20728	1.5
99.04469	3.2
99.08045	1.3
105.07005	7.2
107.08599	10.4
109.02837	2.2
109.06522	15.3
109.10151	8.2
111.08059	3.3
117.07005	2.7
119.08569	9.7
121.06542	1.3
121.10109	6.2
123.07194	2.6
123.08067	49.0
123.11699	3.3
125.09617	2.0
127.03919	4.8
131.08534	2.3
133.10150	6.4
135.08051	8.7
135.11682	5.5
137.09607	3.9
143.08615	1.4
145.10100	4.1
147.11658	3.1
149.09604	3.5
149.13235	3.7
159.11700	3.4
163.11145	2.2
173.13309	2.2
175.14807	2.2
177.12747	5.9
179.14310	40.7
180.14601	1.6
189.16283	1.6
189.41898	1.2
233.18996	1.5
261.22235	1.8
263.20193	3.0
275.20001	4.3
293.21078	2.4
300.74823	1.5
303.26889	6.1
314.18799	1.2
331.26309	40.9
332.26648	1.8
349.27393	11.9
367.24667	2.7
423.31049	100.0
424.31369	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.8
55.01869	9.0
55.05509	35.3
56.96556	10.3
57.03426	12.3
57.07073	6.7
65.03931	7.3
67.05506	84.5
69.03435	30.2
69.07071	37.8
71.01344	3.6
71.04962	5.7
71.08627	4.4
71.58015	6.6
73.02880	5.3
79.05492	63.7
81.03425	37.9
81.07052	100.0
83.04974	9.7
83.08620	16.7
85.02901	17.3
85.06536	7.0
91.05473	55.8
93.07042	72.3
95.04955	14.5
95.08063	5.7
95.08610	71.3
97.02909	14.0
97.06536	6.0
97.10169	8.8
98.97580	6.3
99.04443	8.6
99.08128	4.7
105.07031	58.8
107.04998	5.7
107.08590	43.7
109.02885	4.4
109.06541	24.9
109.10168	37.4
111.04456	5.9
111.08056	6.8
115.05502	4.4
116.98622	7.2
117.07038	25.4
119.08573	48.5
119.22431	3.9
121.06507	6.6
121.10133	41.7
123.08070	41.8
123.11723	14.7
127.03899	5.6
129.06999	13.6
131.08556	30.1
133.06436	4.1
133.10144	33.1
134.99667	8.1
135.08018	18.7
135.11687	35.3
137.09622	8.5
142.07680	5.6
143.08572	13.1
145.06526	3.7
145.10121	22.9
147.08043	5.6
147.11674	24.8
149.01237	10.2
149.09628	12.0
149.13289	16.7
155.08615	5.4
157.10101	10.5
159.11705	20.5
161.13260	13.3
167.02301	3.8
169.10138	8.3
171.11688	10.7
173.13281	11.7
173.98427	3.8
175.14777	8.8
177.00671	8.4
177.12662	5.1
179.14299	74.6
183.11702	6.9
185.13287	9.0
187.11220	4.2
187.14703	7.6
191.14365	4.5
197.13260	5.7
201.12672	4.7
205.15959	3.9
213.16225	4.5
227.14302	4.7
243.21077	8.1
258.91751	4.1
259.20572	6.5
261.22147	22.3
275.20099	7.3
277.21811	5.8
289.21658	8.8
293.05508	5.1
293.21133	6.1
299.19919	4.4
303.23160	4.6
303.26752	4.5
315.10492	3.9
317.17847	6.3
329.11694	4.1
331.26300	41.3
349.27219	10.1
369.24115	10.1
387.25357	10.5
405.26389	11.0
407.45837	4.2
423.31339	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	13.4
55.05511	25.9
57.03426	11.0
57.07079	5.2
57.47502	3.2
65.03929	4.1
67.05502	91.5
69.03427	39.3
69.07079	18.6
69.25704	15.4
69.26131	24.5
71.05000	7.7
74.65797	3.9
77.37094	3.2
77.37594	3.5
79.05495	57.1
81.03410	46.7
81.06578	6.7
81.07053	100.0
83.04980	11.2
83.08608	11.7
85.02905	53.6
85.06518	3.3
87.04507	3.3
91.05477	42.8
93.07043	70.7
95.04974	6.2
95.08601	61.2
95.12154	3.7
96.68073	3.6
97.02889	19.0
97.06512	3.4
97.10163	6.3
98.20705	5.8
99.04442	9.6
105.07032	35.5
107.04961	3.8
107.08594	39.1
109.02877	6.6
109.06506	6.3
109.10156	32.7
111.04461	3.1
111.46317	3.1
117.07004	15.6
119.08571	32.2
121.10138	36.2
123.08051	13.1
123.11684	15.2
127.03895	9.3
129.06992	7.9
131.08534	28.8
133.06493	5.6
133.10110	22.6
135.08035	3.8
135.11697	23.8
137.09634	4.4
137.13252	6.3
143.08592	10.2
145.10135	16.2
147.08043	4.8
147.11678	15.4
149.13281	18.5
157.10149	5.6
159.08076	3.8
159.11751	17.2
161.13255	9.9
163.14804	8.1
169.10107	4.9
171.11664	7.5
173.13254	14.1
175.14825	4.0
179.14279	12.6
185.13281	5.4
187.14828	5.9
195.11679	3.9
203.07001	13.3
212.01460	3.4
241.19653	3.4
243.21034	7.4
259.20615	6.6
261.22168	32.6
277.21603	6.3
279.23233	8.5
297.77081	3.8
303.23294	5.9
315.23318	4.3
331.26358	6.7
357.23920	4.5
369.24142	11.3
387.25235	7.7
405.26398	9.6
423.26596	16.0
423.31995	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	13.5
55.01870	12.6
55.05515	26.3
56.96565	42.2
57.03417	6.7
67.05499	88.3
69.03431	15.4
69.07063	28.0
70.21762	15.4
70.86609	4.9
71.05000	9.8
73.02884	8.7
75.05435	6.9
79.05485	70.4
81.03416	19.2
81.07049	100.0
83.04954	5.7
83.08623	12.3
85.02888	7.3
85.06539	6.5
91.05463	39.7
93.07043	75.3
95.04965	14.3
95.08602	56.7
97.02885	58.2
97.06508	6.7
97.10191	8.2
98.97578	10.1
99.04468	28.2
99.08096	6.9
105.07035	53.4
107.08591	53.3
109.02905	10.0
109.06503	15.3
109.10148	41.4
116.98616	18.8
117.07004	15.1
117.27280	5.4
119.08564	39.4
121.10149	44.2
123.08054	21.5
123.11714	11.9
127.03911	30.4
129.06955	7.3
131.08585	29.6
133.10126	23.8
134.95186	5.0
134.99664	23.7
135.08061	9.5
135.11696	26.7
145.10118	23.9
147.11661	17.7
149.09584	6.2
149.13275	7.1
153.00676	6.5
158.01216	8.4
159.11696	20.7
161.05995	6.1
161.13248	14.7
163.11142	10.2
163.14839	7.3
163.78514	6.1
165.01793	10.0
173.09610	6.5
173.11804	6.9
173.13249	14.5
175.14810	5.4
179.14330	24.7
183.02943	19.7
210.90987	5.7
241.19447	6.0
259.20612	7.5
261.22067	28.7
283.06033	70.0
295.12289	14.9
297.13699	28.1
326.10361	13.5
331.26205	21.9
335.15063	5.2
363.18463	19.6
405.19421	25.5
423.20441	12.8
423.31723	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21931	2.2
53.03932	16.8
55.05502	16.4
57.03420	8.2
57.07079	5.7
59.05001	2.7
59.91734	2.4
65.03922	4.2
67.05502	97.0
69.03088	2.9
69.03432	45.1
69.07068	21.8
69.76985	17.5
70.50221	3.0
71.04981	9.9
79.05060	4.7
79.05489	58.8
81.03411	64.0
81.03860	4.7
81.07054	100.0
82.14855	2.5
83.04978	6.0
83.08611	10.9
85.02898	23.4
85.06536	3.0
89.05975	2.7
91.05470	32.0
93.07042	67.8
95.04962	12.1
95.05519	2.6
95.08604	70.2
97.02886	28.9
97.06519	8.1
97.10154	4.3
99.04449	10.2
99.08085	3.5
105.04517	3.1
105.07036	31.1
106.34978	2.6
107.04972	3.1
107.08582	39.8
109.02876	12.3
109.06525	7.9
109.10152	40.0
111.04411	3.3
111.08062	4.4
117.07019	16.8
119.08585	23.7
121.10141	33.8
123.08054	8.4
123.11688	17.8
127.03907	11.3
129.05444	3.1
129.06958	3.4
131.08585	25.6
133.10121	22.7
135.08069	3.0
135.11690	31.1
137.13232	4.4
142.07806	4.0
143.08560	5.4
145.10100	18.6
147.11670	15.9
149.13231	19.3
157.10098	6.9
159.11723	15.7
161.13309	12.9
163.11119	3.3
163.14856	7.3
173.09555	2.7
173.13219	14.4
174.53371	2.7
177.12756	3.2
177.16449	3.3
179.14302	14.2
183.11676	3.7
185.13263	3.7
187.14822	7.2
189.16374	3.5
201.16505	3.9
243.21060	9.0
259.20615	8.3
261.22125	57.4
277.21597	8.1
279.23282	6.0
303.23212	6.4
311.05557	3.6
331.26318	7.4
345.61493	3.1
357.24359	3.2
369.24115	9.1
387.25369	6.6
405.26187	8.2
423.26331	17.4
423.31509	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11726	0.1
52.25851	0.2
53.03932	0.2
55.01885	0.8
55.05477	0.7
57.03419	0.4
57.07050	0.2
66.08942	0.2
67.05505	2.9
68.99773	0.4
69.03436	0.8
69.07072	1.1
69.60907	1.3
70.93575	0.2
71.04984	0.3
76.95796	0.2
79.01854	1.0
79.05502	1.6
80.11018	0.2
81.03413	1.2
81.06654	0.2
81.07056	2.2
83.04965	0.2
83.08595	0.3
85.02899	0.3
86.09693	0.3
91.05474	1.8
93.07040	2.2
95.04944	0.5
95.08601	1.8
97.02856	0.3
97.06544	0.2
97.10123	0.2
103.03928	0.2
104.10712	0.8
105.07021	1.5
105.11070	0.2
106.58991	0.2
107.04934	0.3
107.08588	1.4
109.06506	0.4
109.10143	0.8
111.04384	0.3
111.08047	0.3
115.05454	0.2
117.07014	0.8
119.04916	0.4
119.08576	0.9
121.06477	0.2
121.10152	0.8
123.08015	0.3
123.11664	0.5
129.07008	0.5
131.08603	1.0
133.10194	0.8
135.11673	0.6
137.02316	0.3
139.03897	1.8
141.01794	0.4
141.06996	0.5
143.08559	0.3
143.20415	0.2
145.02872	0.9
145.06445	0.3
145.10106	0.9
147.04384	1.5
147.11655	0.6
149.02319	0.3
149.09526	0.3
149.13217	0.5
153.06934	0.2
157.06451	0.3
157.10085	0.3
159.08075	0.2
159.11674	0.7
161.05968	0.2
161.13243	0.5
165.01819	2.9
167.03362	0.2
169.06520	0.2
169.48431	0.2
171.11650	0.3
173.02336	1.6
173.05945	0.3
173.13232	0.4
175.11226	0.2
179.14320	0.3
181.06465	0.2
183.02896	2.4
185.05937	0.4
187.03860	0.5
191.03378	1.5
196.84584	0.2
197.05959	0.4
199.03929	0.2
201.05368	0.3
203.06917	0.4
203.10762	0.2
207.02754	0.2
209.05952	0.3
213.05470	2.1
214.06029	0.2
215.03282	0.2
215.07001	0.5
221.08134	1.0
227.03386	1.9
227.06984	0.5
228.04120	0.4
237.05435	0.6
241.04945	42.3
242.05510	4.4
243.06493	1.9
255.06543	3.5
257.04410	0.2
259.20526	0.4
261.22119	0.6
265.04926	3.0
266.05417	0.4
269.04443	4.1
283.06021	6.8
284.06219	0.3
293.04459	2.0
294.05194	1.3
299.05478	0.2
303.23019	0.3
310.04730	0.2
311.05478	100.0
312.05838	5.6
325.07089	0.4
331.26184	0.2
341.24673	0.2
367.11777	5.7
368.12259	0.4
369.24045	0.5
387.25278	0.6
405.26419	0.3
417.05112	0.2
423.18005	28.9
424.18338	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
55.05502	7.8
57.03434	1.7
57.07070	1.6
63.05682	1.1
67.05504	16.5
68.99776	2.7
69.03145	0.9
69.03434	10.3
69.07072	9.6
69.26156	7.9
69.26583	3.7
71.04977	4.6
78.11958	1.0
79.05495	5.7
79.42278	1.1
81.03420	28.3
81.07061	17.3
83.04967	10.2
83.08589	3.4
85.02899	12.0
85.06531	2.6
87.00836	1.6
91.05462	5.6
93.07030	7.9
95.04961	3.1
95.08605	22.5
97.02888	100.0
97.08709	1.3
97.10164	2.2
99.04440	4.6
99.08074	1.7
105.07019	9.8
107.08586	18.5
109.02874	38.8
109.06525	7.4
109.10153	69.6
110.81544	1.2
111.08081	2.0
117.06990	1.7
119.08575	31.4
121.10120	11.4
121.50714	0.9
123.08059	15.0
123.11713	5.2
125.09649	1.9
127.03913	51.8
131.08592	2.1
133.10132	16.1
135.08008	1.7
135.11685	66.0
136.12041	1.7
137.09613	11.8
138.10451	1.2
139.11180	1.7
143.08626	1.1
145.10178	1.8
147.11684	2.7
149.13251	4.7
151.03906	2.3
151.11148	7.2
151.14827	8.4
153.12682	2.1
160.12515	1.0
165.16415	2.0
173.13283	1.8
175.14816	31.1
193.15880	47.8
194.16248	1.4
211.16917	18.5
213.03938	11.8
213.98894	1.1
225.12854	1.2
243.13654	2.1
243.16153	1.3
283.16803	2.1
301.17972	1.9
423.19885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74263	1.2
53.03933	2.0
53.56549	1.4
55.01873	2.0
55.05495	3.5
57.03428	2.1
67.05518	3.3
69.03431	15.0
69.07060	6.4
69.92958	7.7
71.05002	2.1
73.02924	1.7
79.05489	3.6
81.03413	6.9
81.07049	4.0
83.04974	2.8
83.08634	2.1
84.59834	1.6
85.02904	9.3
86.06545	1.5
87.00813	6.7
91.05461	10.3
93.07047	5.4
95.04971	3.6
95.08607	5.6
97.02892	7.8
97.06551	1.5
99.04466	4.1
105.01858	3.3
105.07035	14.4
107.04937	1.6
107.08610	8.8
109.02878	4.6
109.06491	2.6
109.10154	3.2
111.04418	2.9
115.03967	2.8
117.07039	1.8
119.08580	59.4
119.99873	1.4
121.10136	7.0
123.08107	1.9
127.03924	7.7
131.08508	8.0
133.10130	56.4
134.10895	2.7
135.08037	3.1
135.11665	2.0
143.08577	3.3
145.10118	11.6
147.07977	1.5
147.11703	15.9
147.24663	1.3
156.09315	1.6
157.10184	2.6
158.10994	2.5
159.11732	4.5
160.12570	2.1
161.09546	1.8
161.13280	2.5
163.03949	2.8
169.10120	1.6
170.10899	1.4
171.11693	2.5
173.13278	11.3
175.14819	100.0
185.09698	1.9
185.13287	1.8
187.14824	5.9
189.16357	2.6
197.13351	1.9
199.11211	1.9
201.03966	2.0
203.14346	1.7
205.15860	2.8
207.11812	1.8
215.14438	2.0
217.15865	2.9
231.04945	2.4
261.12717	3.1
283.16968	2.4
301.17902	4.5
301.89911	1.5
319.18906	1.8
377.19614	1.5
387.17807	2.2
405.19098	5.7
423.20078	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1799
Annotation	Flemiwallichin B
Peak:m/z	Relative Intensity
55.01866	0.8
55.05494	1.0
57.09174	0.4
67.05492	2.7
69.07056	0.9
70.06564	0.4
71.08558	0.4
71.58070	0.5
79.05479	1.1
81.07047	2.8
83.04980	0.5
83.08622	0.6
85.06518	0.5
88.07611	0.5
91.05464	1.2
93.07029	2.0
95.08591	1.7
97.06506	0.4
105.07001	1.2
107.08556	1.5
109.06527	0.9
109.10141	2.2
117.07083	0.3
119.04932	1.7
119.08565	0.4
121.02856	3.5
121.10150	0.6
123.08060	1.3
123.92062	0.3
131.08563	0.7
133.10106	0.6
135.11667	1.0
141.01804	3.6
143.08568	0.6
147.11661	0.4
149.02361	2.1
149.13254	0.4
150.02692	0.9
159.11656	0.8
165.01825	15.0
179.14282	1.6
183.02869	13.1
184.03281	0.4
193.04932	1.7
194.05302	1.1
205.52432	0.3
256.26288	0.8
257.26749	1.0
271.05948	0.8
283.05981	100.0
284.06317	4.2
295.06320	0.4
297.07547	1.1
308.06891	0.4
323.09018	0.8
331.26166	1.2
337.10583	2.1
349.27335	0.5
383.26376	0.4
405.16934	6.1
423.18109	4.7
423.23398	1.1
423.29684	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1801
Annotation	Ugonin S
Peak:m/z	Relative Intensity
53.03943	1.2
55.05501	2.3
57.03398	0.9
57.07057	0.9
58.21671	1.0
61.06898	0.9
65.03931	1.7
67.05505	15.5
69.07055	3.0
70.05382	5.5
79.05489	4.7
81.07044	9.1
83.04949	1.3
83.08620	3.0
85.06544	1.9
87.24021	1.0
91.05482	5.5
93.07039	7.1
95.08579	5.6
96.02099	0.9
97.06535	1.5
105.07030	3.5
107.08571	5.6
109.06500	1.8
109.10153	10.4
117.07005	1.5
119.08578	3.5
121.06483	1.3
121.10141	2.7
123.04429	4.5
123.08048	2.7
129.06963	1.4
131.01315	1.5
131.08559	2.8
133.10086	1.4
135.08025	1.5
135.11731	1.6
137.02312	4.2
145.10149	1.5
147.08047	1.6
149.02338	14.6
149.13232	2.7
151.03911	1.4
155.08516	1.4
159.08125	1.0
159.11679	1.9
161.02371	5.1
161.05948	6.3
163.03911	2.2
167.03404	34.8
171.11626	1.3
171.68748	1.1
173.11781	3.2
175.07542	1.7
179.14359	3.3
185.06006	2.5
195.13940	1.0
201.64461	1.0
203.07025	27.6
203.10710	8.2
215.07028	3.5
221.08084	100.0
222.08380	2.3
229.08656	1.1
283.16852	1.2
287.12698	10.6
301.70273	1.0
331.26486	1.2
351.17441	2.2
388.72327	1.0
423.26944	3.6
423.31519	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.18
Annotation	5,7,2',4-Tetrahydroxy-3-geranylflavone
Peak:m/z	Relative Intensity
55.05474	0.9
56.17336	0.6
56.68507	0.6
57.07029	0.7
65.81173	0.6
67.05502	7.3
68.99774	0.7
69.07062	1.5
70.18005	1.9
70.18416	1.6
79.01828	0.8
79.05463	1.7
79.31100	0.7
81.07070	3.7
83.08569	1.0
91.05458	1.7
93.06989	2.1
95.08567	2.5
105.06974	1.6
107.08551	2.1
109.06483	0.8
109.10146	4.3
119.08511	1.2
121.10081	0.8
123.08029	1.3
123.09358	0.6
123.11613	0.8
131.08522	0.8
139.03882	1.7
145.02818	0.8
146.10355	0.8
147.04420	1.0
149.02357	0.7
149.13255	1.1
159.11661	1.0
165.01828	3.1
167.03358	2.0
173.02339	1.6
173.11728	0.8
179.14255	2.3
183.02827	2.6
191.03360	2.4
195.13750	0.9
203.06877	1.3
213.05469	1.5
221.08070	4.9
227.03406	2.1
237.05460	1.4
241.04956	39.9
242.05620	3.2
243.06560	1.9
255.06433	3.3
265.04892	3.2
269.04370	3.5
283.06009	9.5
293.04568	1.3
294.05225	1.8
310.04532	1.0
311.05490	100.0
312.05829	3.7
331.26260	1.3
367.11719	5.7
423.18039	30.0
423.30984	2.2
423.36301	1.2
424.18164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34413	1.0
60.87196	1.3
67.05492	1.5
69.03400	1.5
69.07043	1.8
70.13721	5.4
70.14043	1.5
75.77125	1.1
79.05495	1.8
81.03418	2.6
81.07062	3.4
85.02916	1.5
86.09698	7.2
91.05487	1.3
93.07046	2.4
95.04950	1.8
98.20863	1.5
104.03277	1.0
109.02870	1.3
109.10138	1.2
109.45599	1.2
113.13083	0.9
119.04942	1.0
119.08580	1.4
120.08112	19.1
147.11642	1.1
163.85574	1.0
172.28416	1.1
173.12892	4.6
173.83842	1.0
175.03642	7.0
185.04218	3.2
201.12370	1.8
223.10791	6.5
227.05211	6.2
241.09811	1.1
261.07751	1.3
271.04272	9.1
300.96356	1.2
337.08990	8.3
379.09991	64.0
380.10205	1.4
392.36911	1.4
423.08966	100.0
424.09409	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58141	0.4
55.05510	1.0
56.05027	0.5
58.06586	1.2
60.08162	11.8
67.05505	2.2
69.07070	0.8
71.04969	0.4
71.07372	4.3
71.21206	0.6
71.21532	0.6
79.05485	1.1
81.07056	2.1
85.02909	0.5
86.09702	27.7
91.05478	0.9
93.07034	1.3
93.84858	0.4
95.08589	2.0
98.98459	4.4
104.10738	100.0
105.07034	1.1
105.11047	0.8
107.08598	0.9
109.10166	0.8
119.08582	0.6
121.10100	0.4
123.08036	0.4
123.11661	0.4
124.99998	21.6
125.09547	0.3
131.08586	0.7
133.10123	0.4
159.11621	0.7
184.07329	25.5
193.04932	0.8
261.22186	0.4
264.93588	0.4
289.71750	0.4
333.15524	0.4
357.70944	0.4
373.26096	0.4
390.48862	0.4
422.30280	13.0
423.30777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04641	0.3
55.05492	0.5
56.05021	0.9
57.07074	0.5
58.06591	1.2
59.07371	0.3
59.46830	0.3
60.08160	12.6
67.05499	1.3
67.54836	0.3
69.07087	0.4
70.00295	0.6
70.00713	1.1
70.06579	0.5
71.07367	4.6
76.15350	0.3
77.48084	0.3
79.05504	0.3
81.07044	1.2
86.09699	27.9
88.07615	0.8
95.08598	0.6
96.53793	0.3
98.98452	3.9
104.10737	100.0
105.11092	0.8
109.10131	0.6
115.38823	0.3
119.08488	0.3
123.08051	0.3
124.99998	18.8
141.62854	0.3
143.01149	0.4
149.02309	2.9
184.07326	24.1
185.07689	0.5
193.04959	3.0
256.26352	1.6
273.01605	0.3
345.17551	0.4
422.30164	11.2
423.30664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
52.21817	1.0
53.03940	3.0
55.01872	1.4
56.06454	0.8
58.47857	1.0
61.96780	0.9
65.03941	1.0
67.49324	0.8
69.03426	7.3
70.06591	1.3
71.04977	1.0
78.03454	11.0
79.59172	0.8
80.05003	3.0
81.03410	18.2
85.02917	5.7
95.27718	1.1
96.04490	8.1
97.02907	5.0
98.21463	1.6
99.04453	3.1
106.02908	43.3
107.06158	0.8
109.02866	11.6
111.04456	5.3
124.03947	100.0
125.04286	2.1
127.03909	7.2
129.42416	0.9
137.02332	84.5
137.03349	3.9
138.02646	1.6
144.08089	3.3
150.36949	1.0
155.03362	2.2
156.08052	1.6
199.08565	1.3
223.53268	1.1
250.07101	21.0
268.08136	61.9
269.08527	2.4
329.19577	0.9
404.09686	11.0
422.10577	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15829	1.0
55.01865	3.4
55.05507	10.5
57.03436	9.7
57.07074	37.5
65.03935	1.0
65.43765	0.9
67.05499	14.1
69.03414	1.8
69.06715	1.5
69.07066	15.3
69.39266	10.0
71.04985	2.0
79.05490	10.6
81.07056	25.7
83.04964	4.2
83.08607	4.1
85.06541	20.3
91.05466	8.7
93.07030	15.6
95.04972	4.2
95.08594	18.0
97.06521	4.4
97.10149	1.8
98.65784	1.0
105.07024	10.0
107.08573	16.3
109.06516	19.2
109.10152	6.4
111.04456	3.0
111.08072	2.9
117.07035	1.6
119.08580	9.1
121.10141	8.9
123.08061	12.1
123.11698	2.8
123.15330	1.0
125.05987	2.9
131.08537	3.5
133.10101	6.7
135.08041	19.6
135.11720	4.8
137.05968	24.2
137.09622	2.9
137.13332	1.3
138.06819	1.1
139.07516	3.4
143.08536	1.6
145.10121	4.6
147.08014	1.1
147.11673	5.7
149.09654	3.3
149.13213	3.0
151.07535	8.1
151.11168	5.2
153.12759	2.1
157.10144	2.3
159.11696	3.3
161.09644	3.1
161.13255	2.9
163.11180	2.7
165.09131	1.6
165.12744	9.4
171.11789	2.0
175.11197	2.4
177.12750	9.3
179.10732	1.2
179.14301	3.9
181.12259	1.8
183.11745	1.4
187.14787	1.1
189.16335	1.7
191.14343	3.1
193.12233	4.9
195.13780	1.1
203.14343	1.2
207.13783	10.1
213.16461	1.5
219.80695	1.1
221.19011	1.3
233.19075	2.7
249.18509	1.3
263.20050	5.4
277.17773	1.2
291.19495	2.3
291.26755	1.2
301.25436	1.3
305.24704	2.0
319.26288	15.7
329.24652	5.2
337.27481	5.9
347.25784	100.0
348.26285	3.1
365.26877	19.2
393.29965	9.9
403.28415	2.6
421.29532	45.9
422.30048	1.4
436.85971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.3
55.01877	6.4
55.05506	17.3
57.03437	11.9
57.07076	12.0
61.79350	2.1
65.03922	3.1
67.05499	31.4
69.03419	4.9
69.07063	40.0
71.04980	3.6
71.08640	3.8
79.05489	26.4
81.07054	41.3
82.62730	2.1
83.04980	4.0
83.08615	9.3
85.06559	7.6
91.05477	14.4
93.07039	30.9
95.04970	8.8
95.08603	31.1
97.06515	13.1
97.10135	3.0
98.21490	6.8
105.04518	2.1
105.07036	15.1
107.08591	36.3
109.06532	19.0
109.10149	14.6
111.04446	7.7
111.08089	7.6
117.06982	3.0
119.04952	2.4
119.08569	13.6
121.06431	2.2
121.10140	13.8
121.20822	2.0
123.08044	15.5
123.11710	4.3
125.06000	9.5
131.08521	2.9
133.10156	8.7
135.08043	31.2
135.11676	18.8
137.05975	16.5
137.09598	2.4
139.07646	2.5
145.10129	5.1
147.11696	7.4
149.02359	2.3
149.05983	10.3
149.09610	4.9
149.13268	5.4
151.07524	12.3
153.12691	3.4
157.10153	3.1
159.11749	3.2
161.09624	6.1
161.13232	3.3
163.11127	2.6
165.09172	2.3
165.12766	7.2
167.14319	3.0
171.11687	3.1
175.07559	5.3
177.12721	10.4
179.14378	6.0
181.12172	10.6
184.04601	2.5
187.14812	2.1
193.12196	3.3
205.12262	8.2
217.14319	2.2
221.19084	3.8
229.12187	3.7
229.52565	2.8
235.20584	6.1
249.18529	3.4
263.20120	5.2
283.06042	3.0
285.18405	4.8
301.25229	3.3
305.24728	79.4
319.26315	30.1
329.24823	8.1
337.27640	2.4
347.25790	100.0
349.17203	2.3
365.26770	8.6
393.29645	6.5
403.28503	5.0
421.25024	3.5
421.29639	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.46167	1.2
55.01856	1.6
55.05493	2.9
65.03944	1.5
67.05487	5.3
68.99787	1.9
69.03422	7.3
69.07059	4.1
69.22964	1.1
71.04968	2.0
71.58083	2.1
73.01355	1.1
75.88128	1.1
76.66285	1.1
79.05480	9.6
81.03415	4.7
81.07062	11.5
83.04977	5.4
85.02887	3.6
85.06528	1.3
87.00853	2.6
91.05482	11.7
93.07031	7.0
95.04962	3.4
95.08608	4.9
97.02882	4.0
97.06525	2.5
105.07024	10.7
107.04954	5.5
107.08582	25.6
109.02867	4.3
109.06522	4.5
109.10143	9.0
109.77710	1.2
111.08067	1.9
115.05479	2.6
117.07016	3.0
119.08581	7.7
121.06499	4.3
121.10139	14.1
122.07279	8.2
123.08060	3.4
127.03909	17.9
131.08551	5.4
133.10127	100.0
134.10498	1.7
135.07086	1.8
135.08029	10.8
135.11668	2.7
137.02354	2.5
137.05968	2.6
137.09613	58.0
138.09937	1.2
143.08615	2.5
145.10130	3.2
147.04454	1.4
147.11687	3.8
149.09605	3.2
149.13271	8.4
157.10078	1.5
158.10892	2.6
159.08118	1.3
163.14735	2.9
167.07063	1.7
171.11746	1.4
173.09627	1.7
173.13225	7.1
181.04939	1.2
189.12782	1.4
191.14297	40.0
205.15894	1.3
213.03999	3.2
255.11328	1.3
259.08823	2.5
283.10941	1.3
301.11804	2.2
317.17679	1.2
335.18375	2.1
375.63867	1.5
421.05505	2.1
421.18585	1.5
422.24298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69529	2.2
56.96548	4.8
60.08536	2.1
69.03400	5.2
70.27765	9.5
72.08147	3.3
73.02934	2.4
76.26343	2.1
82.06554	2.5
84.25694	2.2
85.02879	8.1
97.02880	5.4
98.97542	6.0
116.98624	5.4
127.03886	3.5
131.00182	2.8
134.99695	3.3
138.93806	4.8
150.93777	2.8
157.96878	2.2
157.98253	2.6
158.99524	2.4
161.01218	2.9
163.03850	8.6
169.37106	2.0
173.08075	2.2
189.04311	2.8
250.07036	3.7
259.16504	2.9
335.10052	9.0
377.11987	23.9
395.47195	2.1
421.10886	100.0
422.11356	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05993	8.0
60.30506	9.3
68.99777	10.3
69.03423	22.2
69.76900	14.6
69.77313	52.3
73.02907	12.3
79.05431	14.8
81.03423	9.8
81.07051	19.6
82.42934	8.6
85.02888	39.3
85.30499	8.6
93.07036	43.1
95.04951	12.2
95.08606	15.5
97.02886	21.0
105.07036	13.2
107.08601	21.5
109.02832	14.0
110.45343	8.9
111.08002	10.0
123.04468	8.9
127.03961	21.3
135.11670	22.6
136.11942	10.8
137.05940	11.7
137.09590	34.4
151.07520	11.6
153.12598	9.3
154.13097	21.8
165.06918	8.5
167.07085	11.4
173.13278	11.5
177.12733	76.3
195.13829	100.0
223.13327	59.3
241.14365	24.9
387.25323	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.1
55.05492	9.9
67.05487	12.9
69.03422	29.7
70.06578	11.3
70.63957	14.1
70.64310	19.2
71.04999	10.5
79.05440	13.5
81.03416	14.7
81.07063	31.6
83.04985	16.8
85.02898	48.5
86.09711	12.1
91.05484	21.5
93.07034	42.3
95.08617	11.1
97.02890	24.1
99.04480	8.7
105.01837	13.7
105.07030	18.2
107.08608	23.4
109.02853	18.5
109.06506	18.0
111.08026	7.8
121.10107	12.8
123.04413	10.3
123.08014	10.0
124.03922	13.8
127.03883	21.6
135.08092	9.4
135.11661	32.5
137.05966	17.3
137.09619	48.1
141.12642	10.8
142.13063	10.4
149.13234	13.5
153.12737	26.3
154.13126	24.6
159.11655	13.5
163.11157	8.6
171.13811	17.2
172.14174	19.1
177.12727	100.0
181.04906	8.1
181.08585	18.5
187.07489	9.6
191.68941	10.8
195.12154	12.3
195.13817	92.6
223.13335	56.8
230.91286	8.2
241.14371	26.7
277.88089	8.9
402.20990	10.1
425.68893	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.2
57.03442	15.7
57.39365	2.5
59.04998	2.8
60.04517	2.0
69.03428	67.6
70.06600	3.3
70.12060	2.5
71.58008	3.3
79.05489	3.6
81.03402	5.8
81.07038	4.0
85.02435	3.3
85.02908	48.8
87.04467	39.0
90.38860	2.3
91.05477	100.0
93.07033	2.8
95.04951	3.1
95.08562	3.4
97.02893	66.0
99.04429	4.6
103.04002	2.0
105.07014	7.2
107.04961	8.5
109.02841	5.0
111.15656	2.2
115.03168	4.5
115.03931	62.7
115.15881	2.2
117.05463	2.3
123.04404	4.4
124.07572	3.1
127.03896	9.3
133.04956	68.6
133.06467	4.7
137.05984	3.0
145.04926	7.9
145.06360	2.3
150.07585	11.3
155.07019	18.6
157.02911	2.4
161.04463	2.7
175.07492	3.4
205.08662	2.8
217.08675	4.1
223.09619	4.8
227.07549	2.7
277.09320	3.9
295.10083	2.3
334.15442	4.4
338.44217	2.4
345.67679	2.2
359.50024	2.2
371.53610	2.6
376.16522	16.9
420.15451	18.1
421.15152	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.9
55.01852	10.1
55.05508	52.0
57.03439	11.9
57.07050	6.5
57.66120	5.4
65.02592	4.9
67.05504	85.0
69.07064	42.9
70.50958	18.6
71.01372	7.6
71.04976	10.8
79.05484	63.5
81.03394	9.6
81.06650	7.1
81.07063	78.0
83.04960	13.4
83.08624	33.0
85.06513	6.6
91.05474	100.0
93.07044	66.9
95.04971	18.7
95.08603	67.0
97.06536	7.1
97.10147	12.0
99.08119	5.5
103.65070	4.7
105.07037	67.2
107.04985	8.2
107.08578	44.5
109.06490	12.3
109.10147	21.6
111.08029	9.3
115.05426	6.6
117.00998	4.9
117.07024	44.4
119.08546	32.6
121.06461	7.5
121.10143	28.4
123.08070	7.0
123.11695	6.7
128.06223	12.4
129.07018	56.0
130.07782	5.8
131.04932	6.4
131.08569	78.6
133.06491	14.3
133.10106	33.1
135.08049	11.0
135.11693	14.3
139.11101	7.3
141.06970	20.9
143.08574	45.1
145.06477	17.7
145.10123	37.8
147.04414	5.7
147.08023	11.7
147.11694	10.7
149.09668	8.3
149.13298	7.9
151.07568	6.6
155.08546	32.7
157.10115	21.5
159.08073	10.5
159.11673	19.5
161.09619	6.9
163.11209	7.2
167.08553	10.5
169.10098	18.6
171.11670	19.3
173.09660	8.3
173.13184	8.9
175.11145	11.3
177.12688	6.3
181.10161	15.4
183.11691	11.2
185.13245	11.7
187.11226	6.5
187.14893	6.2
195.11697	19.7
197.13307	11.2
199.14862	7.0
207.11801	6.1
209.13219	12.5
211.11159	6.6
213.12784	6.6
221.13297	8.3
223.14777	13.8
225.16331	7.0
233.15344	7.7
239.14108	6.3
257.15286	9.2
261.22183	7.9
271.58423	4.9
323.23676	10.7
327.23196	25.5
330.47577	5.0
333.22107	15.7
341.24628	13.4
345.24243	10.3
351.23047	32.5
369.24301	23.0
383.25922	5.6
387.25232	15.1
401.26959	25.7
419.22839	7.6
419.27911	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1909
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
53.03947	12.9
55.01862	14.2
55.05485	8.9
57.03423	6.9
57.07073	19.8
59.04993	7.6
65.00011	5.4
67.05502	23.6
69.03428	41.7
69.07061	18.4
69.47202	36.9
69.47611	12.0
71.05000	8.8
73.02906	13.2
79.05486	8.3
81.03419	49.9
81.07045	20.1
85.02903	94.1
85.06541	9.2
87.00843	36.5
91.05496	11.3
93.07021	15.5
95.04958	11.0
95.08591	63.8
97.02879	28.7
97.87580	5.0
99.04474	13.7
99.08093	14.8
105.01849	22.6
107.04932	8.6
107.08620	15.0
109.02869	48.1
109.06519	12.8
109.10150	19.6
111.08078	10.2
113.09631	51.6
127.03904	69.8
133.06509	6.3
135.11676	17.6
137.13260	8.8
137.23221	5.8
145.04955	18.4
151.11122	7.3
153.12732	100.0
155.14310	23.4
159.02914	23.5
161.06062	5.5
167.07056	21.6
168.07622	4.8
171.13817	9.6
179.04871	6.8
180.81728	5.7
181.04964	14.0
183.06631	6.6
191.07008	8.3
231.05043	11.4
376.20111	6.1
395.91516	6.2
401.16071	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01863	10.3
55.05500	9.2
57.03421	12.8
57.07064	12.7
59.04988	10.6
61.02919	5.1
67.05492	11.9
69.03140	3.4
69.03432	38.3
69.07067	16.6
70.06568	6.3
71.04984	7.3
71.57101	3.5
71.57510	4.3
72.08123	3.7
73.02914	10.2
79.05506	7.0
81.03413	32.5
81.07063	18.3
83.04943	4.2
85.02904	59.7
85.06530	18.0
86.09703	5.3
87.00826	22.3
91.05464	11.1
93.07031	8.0
95.04939	7.1
95.08598	39.8
97.02885	20.0
97.06510	9.1
99.04438	12.5
99.08098	19.3
103.05477	3.7
105.01865	11.2
105.07021	5.1
106.02899	8.7
107.04920	12.5
107.08580	14.0
109.02875	29.3
109.06499	10.8
109.10159	21.6
111.08066	12.9
113.09634	15.8
118.97649	3.7
119.08569	4.7
121.10160	3.5
123.04408	5.8
124.03967	23.9
127.03913	50.1
127.11147	7.7
129.01778	3.9
130.06541	3.5
131.04903	4.3
131.08517	3.6
133.06465	4.1
135.07957	3.5
135.11688	17.7
137.05963	9.0
137.13217	5.4
137.77112	3.2
144.05609	3.9
145.04976	15.6
145.06441	3.2
147.02805	4.3
151.11147	4.8
153.12743	100.0
154.13179	4.4
155.14291	11.0
159.02820	15.5
163.11192	3.2
163.63905	3.0
167.07062	14.4
168.07411	5.7
171.13768	18.6
174.05475	5.8
181.05054	7.9
183.06520	4.7
187.07593	4.4
189.04103	3.7
191.06973	3.8
209.07959	5.2
231.05034	9.2
232.67009	3.1
249.11179	5.8
250.07181	7.8
252.35316	3.1
268.08252	5.5
278.10239	5.2
287.05637	4.7
287.08984	3.1
401.16681	5.9
420.12958	11.9
444.75427	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09249	4.1
51.31322	4.2
53.03941	11.2
55.01873	29.1
55.04278	4.1
55.05505	7.1
57.03432	5.4
61.10743	3.6
62.98742	3.6
65.03927	5.4
67.05497	10.9
69.03423	13.5
69.07055	9.2
69.10419	3.5
70.84669	12.4
78.95845	3.7
79.05497	21.0
81.03411	19.5
81.07073	6.3
81.84235	4.8
83.04967	7.8
85.02898	22.0
87.00836	4.1
91.05470	11.3
93.07043	13.7
95.04968	15.7
95.08594	5.0
97.02886	10.6
97.06539	4.4
103.05463	19.0
105.01848	7.7
105.07027	20.7
106.07338	5.3
107.04954	21.7
107.08587	13.0
109.02859	10.2
109.10213	4.5
111.04493	7.2
115.05464	15.4
117.07058	9.1
119.08609	7.3
121.06490	7.0
121.10121	5.0
122.26902	3.6
123.04424	10.8
124.05268	4.5
127.03896	11.1
129.06984	4.4
131.04926	10.5
131.08583	8.7
133.02910	5.1
133.06516	20.2
135.11673	13.8
145.06517	19.9
148.05083	4.8
149.05986	11.5
153.12762	13.5
156.05711	5.9
159.08026	7.2
161.06004	24.1
162.06332	9.1
163.07547	14.3
165.05533	5.2
166.05980	4.1
167.07062	100.0
168.07385	20.9
169.07579	7.8
171.13799	6.8
173.05910	21.7
177.05458	16.9
180.07809	8.5
181.04955	64.4
181.08110	6.5
182.05219	9.3
183.06580	10.6
187.07570	11.4
190.06148	6.8
191.07028	43.8
193.08620	8.7
194.09071	6.5
199.07370	4.5
205.06741	6.3
205.08606	33.5
206.08861	6.9
209.08047	35.6
210.08760	5.6
217.08609	14.2
219.10262	8.0
221.08041	6.2
233.08069	4.4
247.07436	4.7
249.11229	15.7
277.08401	6.7
287.93118	4.6
315.08630	14.3
330.11060	26.1
342.62213	4.8
369.13190	9.2
383.14700	7.4
401.15891	12.0
419.16321	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	6.5
58.06587	1.9
61.93461	0.4
63.17402	0.4
69.07042	0.4
69.45702	3.4
69.46121	1.0
70.06590	19.8
70.57660	0.4
71.08630	2.7
72.08150	2.7
79.05476	0.7
81.07049	1.1
83.08584	0.5
84.08122	2.1
86.09694	3.1
88.07629	4.1
89.06016	0.7
91.05463	0.9
93.07012	0.9
95.08612	0.8
98.20710	0.9
98.30299	0.5
102.09158	2.3
105.07028	1.1
107.08571	0.7
112.99981	0.6
114.09166	0.7
119.08655	0.6
132.10187	8.8
146.11754	8.3
252.17053	0.5
268.29935	2.0
294.31494	1.3
312.32596	6.4
356.35202	33.5
357.35471	2.1
418.38892	100.0
419.39182	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1698
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
53.03957	4.1
55.01880	30.2
55.05491	4.2
57.25093	3.4
57.47204	4.0
59.78582	3.7
61.68105	3.9
65.03937	10.4
66.41636	3.5
67.05500	5.1
69.03438	9.1
69.07058	4.5
69.69660	23.1
73.02921	5.4
79.05476	12.7
81.03425	8.1
81.07040	7.6
82.04192	4.3
85.02889	11.2
91.05501	13.0
93.07059	7.5
95.04945	10.4
97.06553	6.7
103.05480	13.5
105.07008	21.3
106.04180	4.1
106.07349	5.1
107.04939	28.6
108.02134	4.4
109.02874	4.9
110.03648	5.3
115.05451	7.2
117.06985	6.7
118.04250	5.6
121.06512	4.4
123.04420	13.1
127.54024	4.0
129.07024	10.0
131.04932	13.7
131.08611	7.4
133.06506	13.3
134.03644	3.9
134.06793	4.8
135.11765	4.0
137.04259	4.0
137.05949	6.5
142.02719	3.9
143.08591	3.9
145.06470	11.0
148.05194	7.4
149.05992	9.1
153.05492	12.5
157.06485	5.0
159.08102	12.8
161.05981	19.9
163.07541	15.3
167.07042	100.0
168.07402	15.8
169.07637	3.8
171.06570	8.5
173.05965	8.4
177.05510	28.8
180.07835	5.2
181.04962	78.4
182.05321	12.4
183.06532	12.3
187.07550	17.8
189.05498	6.0
191.06990	40.1
193.08629	15.2
204.07951	5.4
205.06685	5.2
205.08595	18.0
208.05179	8.6
209.08086	38.3
212.67413	4.0
217.08492	7.3
219.08264	5.1
219.10257	12.8
221.07988	7.9
231.08102	4.4
247.07452	5.4
247.09737	6.1
248.08411	6.1
249.08997	6.8
249.11203	28.0
264.07861	4.4
269.08188	6.3
277.08438	5.1
279.10086	4.5
287.05515	37.7
288.06064	4.0
307.09732	10.6
315.08636	30.7
319.09702	6.6
328.23486	4.1
330.11069	31.0
343.11758	7.0
351.12350	6.0
369.13132	23.0
389.15826	8.3
401.02771	4.2
401.16248	19.9
419.16351	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01861	1.2
55.05496	0.8
56.96553	1.3
57.03436	2.3
61.02912	1.7
63.73050	0.8
65.03944	1.9
67.05508	3.9
69.03425	8.7
70.06570	1.5
71.04976	1.3
71.32620	0.9
71.32936	1.3
73.02900	2.5
79.05479	3.7
80.04980	1.4
81.03417	6.0
81.05789	1.4
81.07065	1.3
82.06566	1.1
83.04970	0.9
84.04482	1.1
84.08115	2.3
85.02898	8.5
86.06105	0.8
86.09693	1.9
87.00788	1.7
87.04442	1.0
90.78069	0.8
91.05457	2.0
92.04982	2.6
93.05775	1.3
95.04946	1.4
96.08105	3.8
97.02882	6.1
98.97539	1.7
99.04436	2.2
106.05841	1.8
106.06545	27.3
107.04930	1.8
108.08112	100.0
109.02863	4.6
109.08440	2.0
109.80560	0.8
110.06020	1.1
115.03930	0.8
116.98605	1.9
117.03397	0.9
123.04451	1.1
123.06788	6.2
124.03918	3.6
124.07590	31.0
127.03912	5.0
129.10188	1.8
134.06010	15.5
134.99641	0.8
135.04420	1.3
136.07573	19.9
137.05949	3.3
137.08206	0.7
145.04910	0.9
147.04376	1.9
149.05907	1.1
152.07059	79.9
153.07347	1.0
154.08664	1.3
163.03937	5.0
164.07014	2.1
166.08618	1.6
170.08110	27.8
175.06161	0.9
176.07002	1.6
178.08682	1.1
187.05977	1.7
194.08034	1.0
208.40996	0.8
219.01819	1.2
221.08131	1.9
227.98247	0.9
237.02863	2.4
238.10690	2.4
256.11746	5.2
314.12344	1.9
332.13361	5.6
338.12308	2.7
356.13324	9.6
374.14417	12.4
382.10825	1.2
400.12326	14.8
401.73029	1.0
418.13342	37.9
419.13809	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78726	7.9
53.03920	16.4
55.01857	16.3
69.03391	16.4
70.06557	16.5
71.57529	16.6
72.08132	9.9
79.05477	19.5
80.15898	8.8
81.03411	25.8
81.07044	9.1
84.08133	10.2
85.02877	42.4
87.00803	12.3
93.07037	32.0
95.08615	11.3
97.02873	38.7
97.06510	11.7
105.01849	18.5
107.08557	26.0
109.02886	23.7
119.08616	9.7
127.03923	46.2
131.15266	11.9
135.11684	33.0
145.04968	27.6
153.05444	14.6
167.07066	100.0
168.07399	66.7
181.04987	47.2
182.05328	14.5
191.07109	13.4
250.01237	11.1
255.06383	13.5
256.06827	39.1
388.14731	10.4
418.15750	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23973	0.8
53.03931	2.3
55.01859	2.3
55.05500	1.0
55.28108	0.8
56.96555	2.4
57.03432	4.2
60.04528	1.0
61.02912	2.5
64.39538	1.0
65.03916	2.6
67.05500	4.2
69.03429	12.0
70.06587	1.2
70.14481	0.7
70.28406	1.8
70.28793	2.8
71.01335	0.9
71.04964	1.4
72.08148	1.8
73.02898	3.4
79.05473	4.0
80.05008	1.1
81.03417	7.3
81.05782	1.9
81.07035	1.4
83.04969	1.5
84.08138	4.0
85.02426	1.2
85.02905	12.7
86.09694	2.6
87.00816	1.9
87.04436	1.5
91.03912	1.0
91.05473	1.9
92.04994	2.1
93.05769	1.3
94.06557	1.1
95.04977	2.5
96.04471	1.1
96.08121	2.6
97.02893	8.3
98.97570	3.0
99.04439	2.2
101.02392	0.9
103.03947	0.9
106.06552	26.6
107.04948	1.6
108.08113	100.0
109.02869	5.3
109.08402	1.0
110.06059	1.8
110.07174	1.3
111.04443	1.4
115.03921	1.9
116.98602	2.4
119.04926	1.3
121.06449	2.7
123.06829	7.0
124.03928	5.0
124.07587	28.7
127.03928	7.1
129.10225	3.2
133.04953	2.7
134.06001	17.0
134.99615	2.4
135.04413	1.2
136.07570	18.9
137.05994	7.9
145.04932	2.4
146.99661	1.3
147.04376	2.0
148.07515	1.8
150.05496	1.8
152.07060	85.9
153.07582	0.9
154.08630	2.5
158.99657	1.1
163.03918	5.0
164.06985	1.9
166.08641	1.3
170.08115	25.1
176.07082	1.0
178.08595	1.3
179.06943	1.0
187.06012	1.5
189.03918	1.1
193.09810	1.3
194.08113	2.5
219.01729	1.2
221.08185	1.4
224.46632	0.8
237.02805	3.2
238.10667	2.6
245.06850	1.6
256.11914	5.2
314.12320	2.5
332.13492	5.6
338.12387	2.1
342.42957	1.0
356.13385	8.5
374.14523	11.7
375.14841	1.0
400.12305	15.0
401.12537	1.0
418.13348	34.8
419.14105	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09985	1.2
50.30499	1.3
52.57742	1.1
69.03389	1.2
70.14079	4.7
72.92358	1.3
79.05477	2.2
85.02916	1.2
89.62268	1.4
91.05475	1.4
95.04990	1.5
96.60301	1.3
105.06988	2.2
115.05412	1.5
116.41118	1.3
134.00989	1.1
140.04948	5.0
142.06450	1.7
154.06467	2.8
155.06032	28.9
155.07291	1.4
158.49376	1.3
161.05988	2.7
166.06519	2.0
167.05783	6.5
167.07231	8.0
168.06912	3.9
169.07600	46.3
170.06000	3.9
179.06017	16.4
180.06705	1.3
181.05009	6.2
181.07605	5.9
182.06145	1.8
182.08336	2.2
183.05516	23.2
183.09187	3.7
184.07501	2.3
185.07077	15.7
193.07545	17.1
194.06010	3.3
195.05533	43.7
196.06296	19.1
197.07104	38.6
198.05547	8.9
201.06589	1.5
207.05551	9.1
208.06267	2.9
209.07069	6.5
210.07892	1.6
211.05048	3.0
211.08693	7.2
213.06590	33.9
221.07069	29.9
222.07443	1.3
223.04913	3.1
225.06578	62.3
226.07011	3.0
227.08147	1.4
229.06065	25.6
237.06519	7.1
238.07404	6.7
239.04462	4.3
239.08142	36.1
241.06053	5.6
243.07625	10.9
249.06604	10.7
253.06035	8.1
255.07799	3.1
257.05530	5.0
265.06009	3.5
266.07034	2.3
267.07632	27.3
269.05679	3.4
271.07126	43.4
272.07593	1.9
277.06100	15.4
283.07126	2.5
285.08698	45.6
286.08722	1.5
295.07138	43.8
312.09717	2.1
313.08154	56.3
314.08481	2.6
331.09192	15.8
336.09918	1.9
340.09338	8.3
354.10803	6.2
358.10306	58.6
359.10791	1.8
372.11938	9.1
382.10336	10.9
400.11374	70.9
401.11542	3.5
418.12369	100.0
419.12646	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
53.88764	0.6
55.01858	0.6
55.05498	2.2
57.07063	1.4
59.08135	0.6
67.05499	3.6
69.03408	2.0
69.07068	2.0
69.88601	3.6
71.04980	0.8
71.35417	0.6
75.28379	0.5
79.05489	5.5
81.03412	3.8
81.07051	14.4
83.04978	0.6
83.08614	1.8
91.05463	3.5
93.07033	2.2
95.04951	1.0
95.08600	5.6
97.02874	1.4
97.10184	2.0
99.08068	0.7
102.49047	0.6
105.07026	1.6
107.04959	1.9
107.08607	2.1
109.02877	6.2
109.06508	8.1
109.10164	3.9
111.04449	1.1
111.11774	0.9
115.20027	0.6
117.07049	0.7
119.08560	1.3
121.06488	1.6
121.10150	1.2
123.11694	1.6
125.02350	2.7
127.03895	1.0
131.08492	1.0
133.06483	0.8
133.10132	0.8
135.04388	0.7
135.08037	0.7
137.05971	100.0
137.13289	0.9
138.06276	1.1
145.10176	0.8
147.08040	1.4
149.13286	1.1
151.07510	2.0
161.09570	1.3
163.07530	3.0
175.11205	2.4
177.09082	8.4
191.10663	5.1
199.11205	1.1
247.17064	0.8
250.98288	0.7
275.27454	1.2
399.21628	0.9
399.32437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
57.03436	1.2
57.07064	4.9
58.13206	1.2
67.05505	12.7
69.03444	2.0
69.07063	7.8
71.08631	4.5
79.05487	8.2
81.07053	29.1
83.08630	8.3
85.10198	1.5
91.05479	4.0
93.07049	4.6
95.04942	1.2
95.08596	16.0
97.10165	4.2
98.20811	3.3
98.98462	12.4
105.07013	3.5
107.08605	4.1
109.06505	11.8
109.10168	9.0
111.11728	2.6
116.99468	1.2
119.08575	4.0
121.06509	6.2
121.10103	2.9
122.42296	1.1
123.11714	3.9
133.10129	1.8
135.08011	1.3
135.11719	3.0
137.05972	100.0
137.13225	1.1
138.06323	2.1
145.06473	1.2
149.05968	1.2
149.09630	4.2
149.13251	2.0
151.07550	2.8
151.14839	1.6
155.01030	15.9
159.08076	2.1
161.13306	1.8
163.07507	7.7
173.09673	1.5
175.07541	4.1
177.09090	48.0
178.09491	1.6
188.08351	1.2
189.09148	2.9
191.10678	22.1
203.10722	2.6
205.12328	1.0
217.12193	2.5
245.22591	2.5
263.23672	6.7
264.24149	1.2
271.08835	1.0
293.28326	2.3
297.06247	1.4
395.13870	2.0
399.32559	3.9
417.27026	1.4
417.31833	6.6
418.39426	1.3
441.34747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05496	1.5
56.46112	0.3
57.07074	4.2
61.55869	0.3
64.88046	0.3
65.03952	0.5
66.20573	0.3
67.05494	1.7
68.53951	0.3
69.03412	1.6
69.07066	2.7
71.05002	0.4
71.08634	0.7
71.58627	0.8
79.05483	4.0
81.07052	13.4
83.01317	0.4
83.08595	1.6
85.06532	3.3
91.05462	1.2
93.06996	1.2
95.04935	0.5
95.08602	4.4
97.10153	1.4
98.98466	0.5
105.07037	0.7
107.04920	0.5
107.08562	0.7
107.88776	0.4
109.06511	9.5
109.10162	2.6
110.65038	0.5
111.11719	0.5
115.45358	0.4
119.08559	0.4
121.06470	2.1
121.10120	0.7
123.08060	0.4
123.11692	2.3
130.33742	0.4
131.08574	0.4
135.07973	0.4
137.05968	100.0
137.13188	1.8
138.06300	1.9
141.12729	0.5
143.08508	0.4
145.10117	0.5
147.08025	0.9
149.09595	1.1
151.07535	1.9
153.05446	0.7
161.09627	1.1
163.07536	4.3
163.11185	0.5
175.11230	1.6
177.09081	10.1
178.09471	0.4
183.74803	0.4
191.10641	6.1
193.19545	0.4
203.10689	0.4
205.12158	0.5
205.81342	0.3
275.27222	0.4
399.32681	1.1
417.33545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.05510	17.9
57.03436	3.7
57.07064	7.7
59.06455	1.7
59.64053	1.9
67.05501	20.6
68.93027	1.8
69.03413	3.4
69.07065	31.3
69.53452	1.9
70.25137	7.2
71.08625	12.0
71.12720	1.7
75.54388	1.9
76.04000	12.6
78.76989	1.9
79.05492	15.0
81.03409	3.3
81.07056	36.0
83.04974	4.3
83.08601	15.4
85.02902	4.7
85.06519	3.5
85.10162	8.3
87.05576	3.5
90.05552	100.0
91.05462	10.7
93.07043	14.5
95.08595	27.7
97.06511	5.8
97.10167	13.6
99.04386	2.2
99.08084	8.7
105.07012	6.5
107.04951	2.7
107.08605	10.8
109.10159	16.9
111.08073	3.8
111.11719	6.1
113.09632	6.9
117.07009	3.6
119.08556	6.8
121.10159	9.0
123.04421	2.3
123.11729	9.4
124.05083	2.2
131.08556	2.7
133.10129	8.1
135.11713	12.5
137.09653	3.5
137.13255	4.3
139.11215	3.8
145.10127	2.9
147.07658	25.1
147.11670	8.1
149.13219	3.3
151.11110	6.0
151.14912	2.5
159.11723	2.0
161.13261	7.2
165.12761	4.7
167.07033	33.0
173.06003	4.7
175.14868	3.0
179.14374	3.0
181.04924	12.6
181.12274	2.2
182.15379	2.6
217.19547	15.7
226.14308	3.3
235.20627	13.8
247.20496	2.5
253.21588	20.3
254.24745	19.9
255.15845	4.5
264.23209	21.0
271.20120	1.8
271.22672	48.9
282.24283	23.5
282.50659	2.1
292.22690	22.5
294.24136	1.8
310.23740	46.8
311.23987	2.6
328.24680	3.9
338.43039	1.9
381.27454	2.5
387.14340	4.3
417.15253	6.6
417.20685	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.2
57.03424	4.7
57.07074	5.8
60.55842	3.4
67.05171	5.4
67.05507	59.3
69.07072	17.9
71.08604	4.9
71.58929	4.5
73.98569	3.6
79.05489	16.3
81.06593	4.6
81.07056	76.4
83.08635	8.7
91.05476	14.5
93.07027	20.9
95.04975	5.0
95.08609	65.5
97.06543	6.3
97.10176	6.0
98.97866	5.9
98.98470	86.0
105.07029	15.3
107.08574	12.2
109.06507	3.7
109.10162	24.8
116.99512	6.1
119.08570	8.2
121.10114	13.3
123.08068	3.5
123.11694	18.7
131.08539	6.4
133.10124	14.4
135.11684	8.4
137.05977	33.6
139.74702	3.5
147.11703	11.1
149.13214	5.2
151.14795	5.0
155.01044	100.0
161.13222	7.1
163.14842	5.9
165.16446	5.0
175.14876	4.9
177.09097	8.9
183.11687	4.0
191.10693	8.6
245.22589	21.3
263.23700	42.0
344.77161	3.8
400.85251	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01874	3.9
55.05503	6.8
56.47593	2.3
57.03419	14.4
60.04474	2.4
61.02912	5.8
65.03935	2.5
67.05496	7.1
69.03414	26.1
69.07061	4.4
69.62621	2.2
69.89733	15.3
70.06584	10.9
71.04991	3.5
72.08142	15.7
75.04474	29.9
79.05486	6.7
81.03409	12.8
81.07041	13.9
83.04980	14.7
84.04478	2.4
84.08128	8.0
85.02895	54.8
85.06522	5.1
86.09701	24.7
87.04465	2.6
87.42593	2.6
91.05457	7.2
93.07037	10.5
95.04959	23.3
95.08621	3.2
97.02892	19.1
97.06522	8.8
99.04449	5.1
105.07050	14.6
107.05001	3.9
107.08595	11.8
109.02879	8.1
109.06505	9.0
109.10152	4.2
111.04449	4.4
117.07018	3.0
118.37054	2.8
119.08587	9.3
121.06484	22.7
121.10120	15.5
123.04438	5.9
123.08092	5.1
123.11641	3.9
125.06019	4.7
127.03928	21.1
128.31560	2.8
129.10213	3.9
131.08600	2.8
133.10153	9.6
135.04340	2.9
135.08043	8.4
135.11722	5.8
136.07610	3.2
137.05952	3.9
139.07539	8.8
143.08632	3.2
145.04971	13.1
145.10086	9.4
147.08055	3.8
151.03888	3.1
151.07529	8.8
151.11179	7.1
152.07062	2.8
159.02966	2.5
159.11661	6.0
161.05917	2.9
161.09631	10.9
163.03879	10.6
163.11163	100.0
164.04195	3.3
164.11580	3.5
167.07019	7.3
171.11322	4.0
177.07585	2.8
177.12692	4.3
181.08591	20.7
181.12216	25.7
201.12804	3.2
219.13776	17.4
219.44627	2.4
221.08093	2.9
237.14825	52.6
255.15930	9.6
341.38046	2.8
373.14630	5.3
399.20395	3.3
417.13547	8.1
417.21265	10.9
418.16843	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1179
Annotation	Daidzin
Peak:m/z	Relative Intensity
51.26075	0.2
52.68028	0.2
53.03931	0.3
54.13042	0.2
55.01872	0.3
61.02914	0.2
67.05469	0.4
68.99799	1.2
69.03416	1.1
69.07042	0.5
69.47488	2.0
70.06577	0.6
71.04982	0.2
72.08142	0.8
73.02894	0.3
76.06036	0.2
79.05476	0.5
81.03406	0.6
81.07044	0.8
83.04983	0.3
85.02901	1.3
85.06552	0.4
86.09705	1.7
87.00834	0.4
91.05459	1.0
93.07023	0.6
95.04948	0.5
95.08600	0.5
97.02883	0.6
99.04430	0.4
105.07013	0.7
107.08602	0.6
109.02856	0.8
109.10146	0.7
111.04462	0.5
117.06984	0.4
119.04972	1.8
119.08617	0.3
121.02868	0.5
121.10112	0.5
123.04432	0.4
127.03912	0.8
133.10080	0.6
137.02318	3.7
139.07455	0.2
141.06918	0.3
145.02834	1.8
145.04848	0.3
145.06386	0.4
149.09575	0.3
151.08669	0.3
151.11163	0.7
155.03389	1.6
159.08090	0.3
167.07042	2.8
169.09785	0.4
173.05945	0.4
181.04918	1.1
181.06403	0.3
187.07536	0.3
201.12614	0.3
227.06952	0.6
255.06511	100.0
256.06854	1.8
399.14606	0.3
417.15887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03934	1.4
55.01865	1.3
55.05497	0.7
57.03418	0.7
59.95736	0.5
61.02900	1.2
63.96871	0.5
65.03924	2.4
67.05503	3.2
68.00475	0.6
69.03407	1.8
69.07045	1.1
71.04988	0.6
71.17483	1.3
78.04697	3.7
79.05491	4.1
81.03393	1.5
81.07048	2.7
83.04984	0.7
83.56210	0.7
85.02891	3.5
85.06512	0.6
91.03940	0.8
91.05493	3.1
92.05812	0.6
93.07040	2.0
95.04952	2.5
95.08604	1.7
97.02887	1.0
97.06500	1.4
99.35860	0.6
103.05450	2.0
105.07036	1.9
106.04169	1.1
107.04946	6.4
107.08575	2.3
109.02871	1.5
110.03677	1.0
111.04449	1.2
113.89601	0.5
115.05449	3.5
117.07008	7.2
119.08588	1.0
121.10125	0.9
123.04417	7.6
124.05209	2.9
125.06020	1.0
125.09657	0.7
127.03891	0.9
127.05417	0.9
129.06973	0.9
131.04919	2.0
133.10150	0.8
134.03590	0.9
135.07990	0.6
135.11676	2.5
137.05986	1.7
142.02600	1.0
143.08521	0.8
145.06476	10.4
145.10118	0.8
147.08034	0.8
148.05234	0.9
151.03925	1.5
152.04697	2.7
154.07417	0.7
155.06041	2.4
163.07565	2.3
167.07033	100.0
168.07367	1.3
169.09708	5.2
171.06546	2.2
171.11649	0.8
173.05986	13.9
175.07629	0.7
181.04948	30.3
181.12227	1.5
182.27147	0.7
191.06961	4.1
195.06514	0.7
195.08080	0.8
205.08563	3.7
219.10248	0.7
233.08076	8.2
235.09679	3.4
255.06462	1.3
255.15939	1.3
265.59573	0.6
387.14346	11.8
399.14505	1.5
417.15445	18.2
418.15527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.7
57.07063	5.6
58.60536	1.9
59.39140	1.3
60.86847	1.5
67.05489	3.9
69.03419	2.3
69.07061	6.2
71.58983	2.8
71.59651	1.5
79.05489	5.7
81.07050	17.9
83.08627	2.9
85.06532	2.3
85.75797	1.4
91.05473	4.1
93.07039	3.4
95.04967	2.9
95.08627	9.7
97.02866	1.7
103.26902	1.6
107.04954	4.2
108.05734	10.3
109.06525	6.8
109.10136	7.6
119.08589	2.8
121.06473	12.9
121.10130	4.2
123.04430	5.3
123.11717	3.9
123.58984	1.6
124.05254	1.5
135.08084	2.6
135.11702	1.8
136.05188	28.2
136.06143	2.4
137.05980	77.0
138.06755	30.0
146.82077	1.4
148.05212	1.6
149.06007	4.5
149.09639	5.1
150.06721	10.2
151.07526	2.0
159.08076	2.3
161.05975	2.7
163.07552	6.8
169.37256	1.5
175.07503	1.9
177.09113	56.6
177.10667	2.7
178.09642	1.8
189.16473	1.5
191.10710	6.2
192.11531	2.3
213.99202	1.4
236.11490	1.7
416.28778	4.3
416.32874	100.0
417.33334	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01870	6.4
60.04514	4.8
65.03915	6.3
67.05492	6.6
69.03428	19.9
70.06578	7.8
72.08137	5.5
73.02901	8.1
79.05495	13.8
81.03420	24.1
81.07037	6.0
85.02910	42.4
86.09695	13.8
87.00824	15.5
91.05481	100.0
92.05775	5.7
93.07064	7.7
94.06561	8.7
95.04978	10.1
95.08594	6.0
97.02885	15.3
99.04459	6.0
105.01847	10.3
105.07032	21.0
106.06562	6.6
107.04955	93.2
108.08012	5.0
109.02862	21.8
109.06494	12.6
111.04402	5.0
117.05737	8.0
117.07027	9.0
120.08112	44.5
122.09682	7.7
123.04444	5.4
127.03922	32.6
132.08101	94.6
133.06491	36.6
141.74847	4.3
145.04950	12.1
145.06458	11.7
150.09129	84.2
151.07587	5.7
151.08698	15.0
159.02931	10.2
167.07053	78.5
168.10251	13.7
169.09740	27.0
173.06010	11.8
174.97206	4.5
181.05002	24.2
186.37364	4.5
233.08047	10.6
238.07869	12.0
258.59216	5.1
277.50247	4.1
340.16144	4.6
366.48883	4.6
387.14142	10.1
416.15195	7.0
417.15457	20.5
440.24875	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01855	0.5
55.05513	2.8
57.03436	0.5
57.07059	1.1
65.03922	0.7
67.05507	3.4
69.03424	4.5
69.06684	0.4
69.07065	9.1
71.04987	0.8
71.08623	0.3
77.13132	0.3
79.05051	0.6
79.05489	6.8
81.03410	2.0
81.07053	16.6
83.01347	0.4
83.04980	1.1
83.08610	2.3
85.02886	1.4
91.05456	4.0
93.03401	0.3
93.07051	4.0
95.01297	0.4
95.04958	1.3
95.08606	6.6
96.08279	0.4
97.02901	1.0
97.06528	1.9
97.10146	1.5
98.21458	0.8
99.04429	1.0
99.08068	0.7
103.05477	0.6
103.94727	0.3
105.07027	4.1
107.04955	0.9
107.08599	4.3
109.02888	0.9
109.06513	10.5
109.07258	0.6
109.10139	4.4
111.08084	1.0
111.11720	0.7
113.09637	0.6
115.05478	0.5
117.07042	0.8
119.04932	0.4
119.08599	2.3
121.06504	3.9
121.10118	2.4
123.04365	0.4
123.08060	0.6
123.11717	2.5
125.05954	0.4
125.09624	0.7
127.03915	1.1
127.07452	0.4
128.06169	0.5
128.44797	0.4
129.07005	0.7
131.04892	0.5
131.08580	1.5
133.06493	0.8
133.10127	4.5
135.08029	2.5
135.11667	2.3
137.05969	100.0
137.13255	0.9
138.06299	1.6
139.07590	0.6
139.11172	2.3
143.08554	0.7
145.06487	1.2
145.10118	1.2
147.04419	0.7
147.08086	0.6
147.11664	1.9
149.05975	9.3
149.09572	2.3
149.13239	2.3
151.07524	2.2
155.08546	0.6
157.10129	0.9
159.08081	1.4
159.11636	0.4
161.05957	2.2
161.09648	0.7
161.13290	0.6
162.06689	1.0
163.03839	0.6
163.07541	9.7
163.11163	0.5
163.14795	1.0
165.05420	0.4
165.06995	0.4
165.09131	0.4
165.12721	0.4
167.07034	6.1
169.10077	0.4
169.12215	0.7
171.11731	0.4
173.05930	0.4
173.09645	0.9
175.07536	1.5
175.11165	1.1
175.14845	0.4
176.08289	0.6
177.05484	1.6
177.09102	27.2
177.16380	0.7
178.09503	0.6
179.07008	0.5
181.04904	0.7
187.05988	0.7
187.07539	0.8
187.11252	0.5
187.15016	0.4
189.05397	0.8
189.09102	1.1
189.12743	0.6
191.07027	5.7
191.10652	12.8
191.12329	0.7
191.17952	0.9
192.07410	0.4
192.10936	0.4
193.12311	0.4
195.06459	1.0
197.93513	0.4
201.09164	0.5
203.07034	0.7
203.10661	0.7
205.10364	0.3
205.12233	1.2
209.08177	1.2
214.06223	0.5
215.07011	1.2
217.12231	0.9
229.08585	1.3
229.19324	0.5
231.13687	0.7
233.08131	1.0
235.13223	0.7
245.15588	0.4
249.26036	0.4
257.08136	1.8
275.09250	0.6
279.26801	0.9
289.03513	0.7
291.26929	0.7
309.72620	0.3
311.11154	0.6
329.12216	1.6
341.24789	0.7
397.31244	2.0
415.12231	1.6
415.32050	20.6
416.32324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68211	6.5
51.19015	4.7
53.03920	7.0
55.01878	29.4
55.05508	57.4
56.96548	7.3
57.03423	10.3
67.05498	56.8
69.03426	17.7
69.07059	37.9
71.58038	10.6
79.05479	53.8
81.03405	13.5
81.07050	67.7
83.01344	7.6
83.04969	9.6
83.08612	29.4
85.02878	6.6
91.05463	100.0
93.07033	47.9
95.01301	10.1
95.04953	19.6
95.08598	42.4
97.02875	9.3
97.06515	9.7
97.10169	25.2
98.20718	5.6
105.07034	49.1
107.04954	15.3
107.08600	28.1
109.06515	7.7
109.10155	27.0
111.08031	6.5
115.05410	12.8
117.07007	42.8
119.08589	30.5
121.06496	16.6
121.10130	10.3
123.08092	13.9
125.02327	12.7
125.09604	13.5
127.47633	6.3
128.06212	17.0
129.06985	61.5
130.15724	5.7
131.05006	9.2
131.08557	65.4
133.06526	9.2
133.10062	10.0
134.03644	6.1
135.04491	7.8
135.08060	11.5
137.05969	19.3
137.09590	14.7
141.07004	32.8
143.08530	56.7
145.06505	18.7
145.10077	36.2
147.04390	10.5
147.08011	10.0
149.05963	26.2
149.09575	5.6
149.13159	7.2
151.03952	10.0
153.07037	11.2
154.07735	8.3
155.08536	47.1
157.06511	15.7
157.10138	37.1
159.04318	6.2
159.07996	15.7
159.11690	11.5
161.05952	10.6
161.09569	10.4
165.06961	21.5
166.07852	8.5
167.07100	13.9
167.08551	16.6
169.05095	6.3
169.06509	13.2
169.10091	30.7
171.08032	20.0
171.11690	14.3
173.06032	9.7
173.09665	8.9
175.07483	6.8
175.14813	6.7
177.09090	9.3
179.08505	17.8
181.06485	9.1
181.10143	25.4
183.08058	15.2
183.11684	15.8
185.06003	10.9
185.09613	17.3
186.57916	5.3
187.07578	9.2
187.11279	8.7
189.09207	10.7
189.11198	13.6
193.10091	16.2
195.08000	9.6
195.11697	21.3
197.06007	10.0
197.09636	20.0
197.13098	9.8
199.07478	13.3
199.11134	23.0
201.05473	7.9
201.09111	7.8
207.08066	13.0
207.11833	7.5
209.09644	14.5
211.07585	11.5
211.11237	17.7
211.14722	8.7
213.05487	9.3
213.09137	12.7
215.07048	18.9
215.10666	11.0
221.09807	6.6
223.11148	7.4
225.09117	20.5
225.12546	8.0
227.07050	11.7
227.10619	9.8
229.12160	9.7
237.09058	13.0
237.16385	12.0
239.10695	19.8
241.08531	14.1
243.10147	17.8
253.12222	12.4
255.10139	13.2
255.17368	16.3
271.09622	19.3
273.18552	12.4
277.16006	6.7
279.12363	8.5
279.17392	8.5
281.11554	10.3
289.10614	15.5
295.17041	8.7
297.13455	9.3
297.18542	16.2
305.19040	9.5
309.18542	10.1
313.17816	8.6
323.16425	14.0
323.19913	9.1
333.18365	17.3
341.17508	8.3
349.18024	8.2
351.19476	20.3
353.21033	7.4
355.18851	9.1
361.17905	14.2
367.18997	23.4
368.64197	6.2
369.20618	23.6
379.18991	43.5
397.20016	77.9
398.20325	6.4
415.12012	7.2
415.21054	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92681	1.2
55.05523	1.3
55.09316	1.1
62.83796	1.1
63.31247	1.0
65.03926	1.3
67.05502	3.0
68.05012	1.4
69.03420	3.6
70.06578	5.3
71.04999	1.3
71.57646	1.7
72.08145	2.6
73.02915	1.0
79.05486	1.8
81.03410	1.5
83.04992	2.4
84.04498	3.2
84.08140	2.4
85.02890	3.8
86.09710	7.8
93.07047	1.7
95.06085	6.6
96.06409	1.5
97.02891	2.1
99.04446	1.2
100.93507	1.1
105.07053	1.4
107.04955	1.9
110.07162	1.2
111.04415	2.4
111.05579	1.5
111.17407	1.1
121.02917	1.9
123.04435	2.7
124.04767	1.3
127.03940	1.7
127.08611	1.3
129.05457	1.3
132.10239	1.9
133.06511	1.3
135.04399	2.1
136.06190	1.1
137.02426	1.5
137.03462	4.2
137.06032	1.9
139.03897	1.3
145.02834	1.2
149.03505	1.3
151.07526	1.2
152.07080	1.1
157.04971	1.6
160.07573	1.5
161.05965	1.5
163.03882	7.8
164.04314	2.0
166.08621	1.4
167.07036	2.0
169.93863	1.0
177.07448	1.5
179.03427	1.6
194.05559	2.6
203.05333	1.4
204.06636	1.8
217.08591	1.1
222.07579	2.6
223.07861	1.4
230.08246	1.2
235.09462	2.2
253.10501	11.5
268.13062	1.4
268.16626	1.8
298.38791	1.3
312.20038	1.6
325.15063	1.8
339.24658	1.5
344.97751	1.7
371.27197	2.9
397.14703	22.5
415.15756	100.0
416.15848	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01876	4.4
55.05507	4.9
56.96569	0.8
57.03425	1.8
58.57314	0.8
61.02921	1.6
64.95248	0.8
65.03934	2.6
67.05499	9.5
68.99782	1.9
69.03424	11.8
69.07064	7.4
69.26353	2.4
69.26754	9.0
71.04979	3.0
79.05496	11.4
81.03417	11.7
81.07047	12.5
83.04978	4.0
83.08635	1.7
85.02905	8.5
85.06523	1.4
87.00822	3.1
91.05471	15.8
93.03431	1.2
93.07039	15.4
95.01285	1.4
95.04975	7.2
95.08609	8.4
97.02884	3.8
97.06511	5.2
99.04444	4.2
103.03923	2.0
103.05450	6.6
104.07081	1.1
104.60258	0.9
105.01855	1.5
105.03354	1.2
105.07024	13.0
107.04951	3.6
107.08598	11.1
109.02883	9.2
109.06535	5.7
109.10147	3.4
111.08066	2.8
115.05444	3.2
117.07010	3.9
119.04939	1.4
119.08575	7.5
121.06517	11.5
121.10114	5.9
123.04417	2.1
123.08035	1.8
123.11689	3.8
125.05989	2.0
127.03909	16.2
127.07564	1.2
128.06201	0.9
129.01860	1.0
129.07008	2.6
131.04871	2.2
131.08562	5.7
132.08911	1.0
133.06488	5.9
133.10112	4.8
135.08037	12.9
135.11699	2.2
137.05988	8.9
137.09602	1.3
139.07535	1.5
142.07744	1.3
143.08577	3.1
145.06474	6.4
145.10118	2.4
147.04434	3.1
147.08038	2.7
147.11696	6.2
149.05978	100.0
149.13229	6.6
150.06281	1.7
151.07568	2.0
155.08591	2.3
157.10144	2.1
158.07260	1.2
159.07993	1.7
159.11612	2.0
161.05983	15.5
161.13280	1.3
162.06740	2.2
163.03951	1.2
163.07544	18.9
165.12674	1.9
167.07036	64.7
169.12224	1.7
171.08080	1.3
171.11627	1.4
173.05940	4.6
173.09607	2.0
173.13162	1.2
174.06866	1.1
175.07567	6.6
175.11185	4.0
175.14946	1.0
177.05457	9.7
177.09119	2.0
179.07091	2.0
181.04933	3.1
183.08049	1.1
183.11774	1.0
185.05949	2.3
186.06781	3.6
187.06039	4.4
187.07567	3.5
189.05501	10.1
189.12700	2.2
191.07027	38.2
191.10675	2.6
193.04942	1.6
193.12234	2.5
195.06595	3.4
195.11594	1.2
199.07474	1.3
201.09096	3.4
203.07132	5.2
205.08588	1.3
207.06497	2.4
207.13878	1.6
209.08067	11.7
211.07584	1.2
211.13348	1.9
214.06288	1.7
215.07062	7.6
217.12251	3.7
221.07990	1.2
225.07495	1.2
227.07008	1.3
229.04883	1.2
229.08617	7.2
233.08109	5.4
235.13303	3.7
245.08124	2.8
253.14430	1.6
257.08090	14.9
275.09198	7.0
293.10162	2.1
311.11096	5.0
329.12344	15.3
361.09241	2.6
379.10208	3.2
397.11273	9.8
415.12567	11.8
415.20911	1.4
415.27765	1.2
415.32605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61277	1.7
51.91820	1.3
52.73822	1.2
53.03954	2.9
55.01864	5.4
55.05501	1.5
57.03431	1.9
65.03943	3.7
67.05502	8.6
68.99799	3.8
69.03429	9.8
69.07063	4.1
70.16217	3.6
70.16621	2.2
73.02918	2.1
79.05489	11.8
81.03419	9.1
81.07053	8.4
85.02893	12.3
87.00829	4.3
91.05476	19.8
93.03403	4.0
93.07044	11.8
95.01321	3.1
95.04967	5.7
95.08603	5.4
97.02894	3.0
97.06525	2.7
99.04440	3.5
103.03936	3.0
103.05456	5.2
105.03400	2.1
105.07030	12.5
107.04951	3.6
107.08592	8.8
109.02888	4.1
109.06538	4.1
109.10183	5.1
111.08046	1.5
115.05448	6.1
117.07007	6.2
119.04935	2.7
119.08575	5.2
121.06497	9.3
123.11742	1.9
125.06033	1.3
127.03896	3.7
128.06232	3.0
129.01816	2.0
129.07016	2.9
131.04933	4.1
131.08565	4.4
133.06483	9.9
133.10150	2.4
135.08049	23.0
135.11697	1.9
137.05981	19.8
141.06996	1.5
143.08543	2.0
145.06494	13.4
145.10114	4.8
147.04402	6.8
147.08075	3.8
147.11679	2.4
149.05981	86.2
151.07578	1.9
153.06950	1.8
155.08597	3.7
157.06587	1.7
157.10167	1.9
158.07269	3.3
159.04375	1.3
159.08069	6.6
161.05978	35.3
161.09555	1.6
162.06775	5.8
163.07536	43.5
165.07019	1.5
165.12764	1.4
167.07039	52.4
169.06519	2.0
171.04320	1.4
171.08116	1.7
173.06001	6.8
173.09628	4.0
174.06770	1.6
175.07564	15.3
177.05466	24.6
177.09116	5.2
179.07024	3.8
180.40198	1.2
181.05031	1.9
183.08014	2.8
185.05986	3.6
186.06758	7.2
187.06006	2.2
187.07559	5.2
189.03909	1.4
189.05446	25.6
189.09117	1.7
191.07022	100.0
191.10706	3.5
192.07498	1.6
193.04967	2.6
195.06564	6.0
199.07623	2.8
201.05476	2.0
201.09071	6.1
203.07011	10.2
205.08603	1.8
207.06541	3.7
209.08073	26.7
211.07570	2.2
213.05550	2.1
214.06175	2.7
215.07062	16.6
217.12383	2.5
219.06470	1.3
221.07933	1.3
225.07614	2.5
227.07077	2.4
229.08571	16.4
233.08038	13.7
245.08122	6.3
247.09848	1.5
257.05383	2.2
257.08075	40.6
275.09149	16.2
293.10172	5.3
311.11230	13.2
329.12305	38.6
334.06491	1.3
352.21103	1.3
353.12256	1.9
356.43008	1.3
361.08936	6.4
371.13120	2.2
379.10367	8.4
397.11313	15.4
415.12262	30.5
415.18634	2.0
415.24011	1.6
415.32144	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
53.89293	1.7
55.01863	6.4
56.12142	1.9
57.03433	2.5
61.02898	2.1
65.03941	3.9
67.05510	11.5
68.99791	4.4
69.03427	16.4
69.07062	5.4
70.60474	4.2
70.60838	4.0
71.04984	2.5
79.05491	16.2
81.03413	10.1
81.07062	10.5
83.04949	2.9
84.08126	2.1
85.02907	12.3
85.06537	2.8
87.00827	5.7
91.05465	20.5
93.03411	3.3
93.07043	15.5
95.01321	4.0
95.04946	9.7
95.08601	7.9
97.02864	4.0
97.06541	3.0
97.10157	2.3
99.04462	4.8
103.03928	2.5
103.05458	6.3
105.07013	16.3
107.04939	5.1
107.08596	11.3
109.02866	5.4
109.06516	7.5
109.10136	8.8
112.02158	2.2
115.05444	7.8
117.07059	9.7
119.04979	3.0
119.08588	9.7
121.04726	2.0
121.06504	14.8
121.10186	5.1
123.04449	2.7
123.11736	3.3
127.03909	8.6
128.06236	4.0
129.07005	3.0
131.04918	3.0
131.08563	8.6
133.06500	9.7
133.10132	4.2
135.04382	2.1
135.08072	24.0
135.11678	3.9
137.05978	40.1
137.09558	2.0
145.06470	11.7
145.10115	4.5
147.04402	3.5
147.08220	2.2
147.11668	6.3
149.05977	84.7
149.09636	3.5
151.07520	3.1
155.08559	4.1
157.10109	3.8
158.07394	2.5
159.08087	5.1
161.05984	40.0
162.06755	4.7
163.07544	38.3
167.07042	60.1
169.12209	3.5
171.11702	3.0
171.31424	2.3
173.05957	9.2
173.09630	4.8
175.07529	15.1
177.05482	21.9
177.09084	9.8
179.07054	2.6
183.08064	5.3
185.05984	3.1
186.06798	6.7
187.06029	4.1
187.07553	6.9
189.05466	23.4
189.09061	3.1
191.07028	100.0
191.10721	4.5
192.07521	2.2
193.12221	4.1
195.06558	8.1
199.07578	3.2
201.09181	7.9
203.07115	11.3
207.06509	7.3
209.08096	25.2
215.07016	17.5
217.12268	4.9
219.06534	3.4
221.08098	3.4
225.07684	3.1
229.08638	15.3
233.08118	13.7
245.08092	6.4
257.08109	41.8
275.09116	17.4
293.10254	6.3
311.11197	12.7
329.12311	31.7
359.74634	2.5
361.09268	8.0
379.10190	8.0
397.11276	19.0
415.12335	23.1
415.19330	2.6
415.32095	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67713	22.9
56.96553	57.8
57.03428	18.2
61.02916	52.1
69.03419	70.2
70.06586	45.5
70.84950	37.1
70.85303	45.7
72.83994	19.0
73.02900	24.3
76.44993	17.9
78.57714	20.9
81.03387	17.4
83.12674	19.4
84.08138	22.7
84.96035	17.4
85.02913	100.0
85.49145	17.0
86.09683	30.3
91.05801	20.2
97.02868	50.9
98.97569	69.6
116.98603	58.6
127.03893	57.6
128.02200	22.1
128.98569	22.0
136.94044	39.5
149.01250	23.3
161.01154	35.7
167.33749	20.4
177.00676	30.9
178.26010	23.0
189.00841	22.6
196.89972	18.7
219.01727	35.7
220.42184	23.4
229.00183	23.7
237.02824	45.5
287.05493	42.2
347.87094	22.8
355.03275	24.3
361.02243	53.6
373.04330	24.1
415.05032	32.3
415.10028	81.5
415.15359	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50118	9.4
56.96571	59.8
60.36589	8.0
62.25522	8.7
69.03424	22.7
69.75538	7.7
70.06587	17.5
71.57088	12.8
84.08112	11.1
84.96010	20.7
85.02888	25.4
86.09697	26.2
88.41043	10.3
91.05793	14.9
97.02926	23.5
98.97581	100.0
107.04943	28.5
110.97560	11.3
116.98640	86.0
128.98650	23.8
131.00203	10.9
134.99670	58.7
146.99677	48.4
152.05724	15.3
153.00670	11.9
158.99718	15.5
161.01213	34.7
161.02583	9.2
163.03883	28.3
177.00694	29.2
189.00760	10.9
203.02168	13.0
213.00673	17.3
219.01743	45.3
229.00175	32.9
235.02948	11.0
237.02805	72.4
237.06552	9.9
247.01274	18.6
253.03801	14.4
271.01221	16.2
271.41422	9.6
277.03809	18.7
279.05310	9.4
295.04871	31.3
344.97974	16.0
355.03265	22.6
373.04425	43.4
391.05331	16.0
409.06885	10.7
409.62503	9.3
415.09805	97.8
417.99570	10.2
430.90030	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93028	0.7
51.84371	0.7
55.01872	2.1
57.03428	1.1
59.05003	5.7
61.02929	1.7
67.05506	1.7
69.03432	6.6
70.06585	2.2
71.04998	1.2
71.16096	1.7
72.08162	1.2
73.02917	0.9
73.06554	100.0
79.05486	1.2
81.03427	5.0
81.07065	1.2
81.36327	0.7
84.08114	1.0
85.02902	13.2
86.09695	2.6
87.00832	6.4
91.05478	1.6
93.07049	0.8
95.04959	1.3
95.08653	0.9
97.02882	5.7
98.21585	0.8
98.42236	0.7
99.04460	1.8
105.01849	5.3
105.07031	1.0
109.02888	4.5
109.06538	0.9
110.07159	1.0
117.09150	1.6
119.08626	0.7
120.08082	1.3
127.03934	7.9
131.10690	11.2
135.08052	0.8
145.05014	2.4
149.11732	35.7
159.02901	2.2
166.12260	0.7
188.14343	1.0
206.15491	0.8
218.22897	0.8
231.04985	1.4
234.15147	1.0
249.12389	0.9
252.12999	0.6
252.16014	2.1
314.54282	0.8
371.13034	0.8
414.21295	4.2
415.12262	4.0
424.52768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.6
56.05039	12.0
57.03443	5.4
60.84188	4.2
62.19098	4.8
65.03939	16.2
67.05489	21.3
68.99790	4.5
69.03427	19.3
70.06595	21.7
70.91593	13.2
71.63588	4.5
74.06066	4.4
79.05490	8.6
81.03420	6.6
83.04978	54.4
84.04494	37.4
84.08141	6.2
85.02901	37.5
86.09719	6.8
87.00813	5.3
89.03934	4.7
91.05471	6.1
93.03413	19.6
93.05768	4.2
94.06567	5.1
95.04948	12.9
97.02919	6.7
102.05556	7.0
102.47263	4.0
103.05447	9.7
105.07073	4.7
107.04955	15.5
109.02899	6.9
110.07115	5.3
111.04434	68.0
115.05492	4.0
119.04981	5.5
120.06570	9.0
120.08102	9.7
121.02878	14.5
121.06492	7.2
122.06056	4.9
123.04421	73.3
129.05457	27.8
130.06526	7.8
131.04955	14.5
133.02850	17.7
133.06546	6.5
134.05983	4.3
135.04433	25.6
136.06181	100.0
136.07446	6.0
137.06604	46.6
139.03879	32.9
143.04924	8.7
147.06760	4.8
148.07607	13.2
148.11214	16.8
148.22433	4.1
149.02359	6.1
149.05986	16.0
150.05490	13.1
151.03886	18.4
152.07043	5.7
153.05389	5.0
157.04941	21.1
158.06041	19.5
159.04480	7.5
160.07584	5.5
161.02274	6.3
161.06000	17.1
162.04135	55.7
162.05539	11.5
163.03845	75.9
164.04210	4.8
164.07077	9.8
165.07841	36.5
166.08646	16.9
166.12299	8.8
174.90251	4.5
175.06104	8.9
176.07066	55.9
177.05467	29.2
178.05032	9.4
178.08659	11.1
179.03331	23.8
180.06590	8.8
186.05531	19.9
187.03954	10.7
194.08125	22.3
195.06482	4.6
204.06558	91.8
205.01309	5.3
205.04962	21.9
222.07605	88.4
222.09596	6.6
223.06033	18.5
240.08737	21.2
252.08713	12.9
276.10818	9.2
281.09967	19.4
282.10184	46.0
325.09094	5.5
353.08694	17.1
380.05518	4.9
396.12787	48.5
397.11331	12.1
414.13983	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	9.8
56.05011	9.3
57.60252	2.5
65.03928	9.9
67.05509	19.1
68.05021	4.5
69.03410	12.4
70.06581	14.0
71.12688	5.3
72.04531	3.4
74.06077	3.1
79.05483	6.8
81.03418	4.4
81.33493	2.9
83.04977	53.3
84.04498	36.0
85.02907	22.9
86.06007	4.4
89.87978	2.8
91.05451	3.3
93.03391	19.6
93.07054	3.3
95.04984	15.0
95.06085	23.6
95.08622	3.3
97.02920	4.4
102.05528	6.1
103.05444	9.3
105.06992	4.2
107.04950	16.3
109.02874	3.9
111.04440	61.5
115.05465	4.3
117.03349	5.0
120.06538	4.0
120.08121	6.7
121.02828	9.0
123.04420	60.2
124.07602	4.7
126.05493	3.8
127.03864	4.9
129.05463	27.1
130.06543	3.8
131.04909	14.6
132.04486	5.5
133.02872	15.0
133.06477	6.6
134.06020	4.9
135.04399	24.9
136.06175	30.3
136.07619	5.5
137.06541	9.5
138.05553	5.6
139.03914	33.7
143.04865	9.4
145.02802	7.1
146.05974	4.0
148.07545	15.3
148.11217	3.9
149.02367	4.4
149.05943	14.8
150.05475	8.5
150.09073	4.3
151.03882	17.3
152.07080	9.5
153.05537	4.0
157.04968	24.6
158.06020	14.4
159.04430	6.4
161.02380	5.6
161.06000	14.2
162.04080	17.3
162.05510	13.9
163.03856	66.2
163.06006	4.1
164.07047	7.1
165.07843	31.5
166.04926	3.9
166.08662	15.1
166.12309	3.5
175.06013	10.5
176.07069	50.3
177.05482	31.6
178.04994	8.2
178.08646	14.6
179.03400	22.9
179.07007	4.4
180.06555	8.1
181.04904	4.5
186.05505	29.3
187.03868	10.9
194.08142	27.0
197.04427	4.2
199.19350	3.7
203.05574	3.2
204.06552	100.0
204.62555	3.7
205.04974	23.7
205.06599	4.7
220.06152	3.2
222.04387	3.1
222.07632	78.8
223.02333	3.6
223.05983	22.7
240.05066	3.2
240.08690	19.3
252.08635	11.3
276.10767	5.4
279.17090	3.4
281.09903	6.2
282.10202	17.1
311.19675	7.4
353.08740	16.2
370.26965	9.2
396.12946	46.4
397.11221	15.7
414.13998	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	66.7
57.03426	25.5
57.07070	68.2
67.05493	30.7
69.07069	90.5
71.04067	25.3
71.08640	41.6
79.05497	10.0
81.07060	51.3
82.95955	8.7
83.08614	42.2
85.10184	14.4
93.07036	20.6
95.08600	48.3
95.24380	8.5
97.06559	12.6
97.10173	43.8
99.08074	9.9
107.08557	11.1
109.10141	11.9
121.10149	18.1
125.09644	11.1
135.11702	22.4
137.13197	7.3
149.13297	12.7
151.07550	32.6
163.14833	14.0
174.86702	8.1
315.43719	8.5
321.31476	22.2
380.44797	9.1
395.35040	25.2
413.36322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30704	0.6
53.03955	2.6
55.01875	1.9
55.05522	0.9
57.03446	1.5
61.02934	1.8
64.61830	0.6
67.05502	1.1
68.99789	1.0
69.03426	12.3
69.07079	1.6
69.47324	5.6
70.06599	1.4
71.04990	1.6
71.54068	0.6
72.08158	0.7
73.02919	1.8
79.05503	0.8
81.03420	11.9
81.03864	1.1
81.07056	1.3
82.06561	0.7
83.04988	0.9
84.08123	0.8
85.02905	15.4
85.06587	0.7
86.09706	1.9
87.00833	6.1
93.07063	1.8
95.04971	0.9
95.08618	1.6
97.02897	6.1
97.06545	1.1
99.04460	4.4
104.05001	1.8
105.01877	3.4
105.07045	1.9
109.02877	9.3
109.10192	0.8
115.03976	0.6
116.07102	1.1
117.01854	0.8
119.08652	0.7
121.10114	1.2
124.07558	0.7
127.03919	14.1
129.01848	1.2
129.67772	0.7
131.08624	1.1
133.10103	1.6
135.08081	0.9
137.05978	0.9
145.04977	3.8
145.10098	1.3
147.02863	0.7
147.11671	0.7
148.02156	83.9
149.02516	1.0
159.02892	5.0
166.03221	100.0
167.03564	1.5
173.13251	1.1
189.04810	1.9
231.04945	1.8
234.18558	1.2
252.10413	0.7
278.31030	0.6
281.14655	0.6
302.59991	0.6
305.01657	0.6
328.08289	0.8
354.05484	0.6
414.08194	1.8
414.21231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3044
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
53.03928	5.1
55.01853	4.9
55.05510	39.7
57.03419	3.0
57.07063	3.9
58.66762	1.8
65.03904	5.2
67.05502	79.1
69.03416	5.3
69.07066	31.7
69.28687	3.1
69.29092	23.1
70.70478	2.1
71.04996	5.4
71.37819	2.3
79.05067	3.5
79.05489	47.2
81.03391	3.2
81.07048	62.7
83.04955	6.1
83.08614	16.8
85.06538	3.6
86.77776	1.9
91.05476	100.0
92.05766	2.5
93.07037	46.1
93.34197	2.3
95.04966	13.1
95.08603	43.6
97.06530	7.3
97.10165	16.9
105.07019	44.8
107.04951	19.5
107.08575	27.8
109.06500	4.4
109.10146	27.9
111.08073	3.9
115.05459	4.5
117.07009	29.0
119.04933	3.7
119.08577	38.5
121.06523	3.0
121.10165	16.5
123.08038	3.7
123.11716	6.2
125.09605	13.1
127.07555	2.2
128.06233	6.5
129.06989	26.4
131.08556	31.9
133.06476	5.4
133.10121	32.4
135.08043	14.0
135.11703	10.8
137.09599	4.6
141.06985	10.9
142.07771	6.2
143.08560	26.1
145.06470	3.7
145.10104	25.4
147.08032	6.8
147.11699	17.4
149.09602	9.9
149.13290	4.6
151.11273	3.0
155.08548	16.9
157.10115	23.4
159.11676	25.6
161.09607	7.2
161.13257	5.5
163.11139	5.5
163.14793	2.7
165.12624	2.5
166.29492	2.2
167.08609	5.1
169.10141	14.4
170.10898	2.4
171.08128	2.9
171.11674	18.5
172.12297	2.3
173.09644	4.9
173.13252	14.7
175.11157	6.5
175.14793	2.7
180.00342	2.2
181.10118	8.0
183.11673	22.3
185.09554	3.4
185.13202	12.9
187.11162	4.8
187.14810	4.7
189.11261	5.0
189.12730	3.3
193.10030	2.8
195.11690	6.1
197.13217	10.5
199.11176	3.8
199.14832	6.3
201.12813	3.5
201.16319	5.4
209.13228	6.7
211.14809	8.0
213.16238	3.6
215.14359	2.6
217.15892	2.8
223.14967	4.6
225.16347	6.8
227.14442	2.6
227.17891	24.5
229.15807	5.3
239.17961	3.5
241.19475	4.9
247.79745	2.0
257.19019	3.7
259.20645	2.8
263.20209	3.6
275.20105	8.3
277.21637	6.8
283.84174	2.7
286.64371	2.5
287.19873	2.5
301.21594	4.0
307.20581	2.6
325.21588	3.3
329.24710	5.4
343.22476	4.0
369.27667	2.9
377.28384	7.6
395.29364	41.4
396.29761	3.9
413.30508	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	3.8
53.03942	5.6
53.13011	2.5
55.01854	8.6
55.05511	46.6
57.03432	2.7
58.49418	2.8
62.08021	2.8
63.33072	2.9
65.03937	6.8
67.05501	100.0
69.03410	8.2
69.07069	28.9
69.58186	23.5
71.04984	5.9
79.05486	57.9
81.03405	4.2
81.07051	62.8
83.04958	4.7
83.08631	22.9
89.28319	2.8
91.05473	89.9
93.07042	47.6
95.04950	11.5
95.08600	58.7
97.06518	7.3
97.10175	20.3
105.07018	44.9
107.04951	22.8
107.08577	36.6
109.10147	40.1
110.95365	2.8
115.05463	4.4
117.07009	40.6
119.04939	5.2
119.08581	45.7
121.06514	7.5
121.10135	22.0
123.08097	7.5
123.11686	10.3
125.09610	23.8
128.06218	4.2
129.06999	36.2
131.08560	37.5
133.06531	5.4
133.10107	36.7
135.08031	14.8
135.11673	12.6
137.09595	7.6
141.06999	19.6
142.07806	6.2
143.08554	27.6
144.11546	3.2
145.06540	7.3
145.10091	26.3
147.08064	6.5
147.11731	15.0
148.54126	3.0
149.09618	14.1
149.13248	6.6
151.11166	4.1
153.06996	3.2
154.07791	5.8
155.08568	17.4
156.09322	3.5
157.10146	25.7
159.08041	6.9
159.11664	25.1
161.09653	7.6
161.13242	3.3
163.11115	4.0
167.08563	4.7
168.09337	3.9
169.10109	25.5
171.11668	14.7
173.09686	4.4
173.11908	3.9
173.13206	16.3
175.11172	7.1
181.10129	11.3
183.11670	22.0
184.51753	2.8
185.09573	3.7
185.13263	19.1
187.11150	7.5
187.14862	7.5
189.11172	12.1
189.12712	4.5
195.11703	5.9
197.13326	16.6
199.11121	3.6
199.14839	10.6
201.12773	3.9
201.16356	3.5
205.15765	5.6
209.13310	7.7
211.14807	7.8
213.16336	5.6
215.14462	3.3
217.15881	5.5
223.14810	6.1
225.16357	7.3
227.17891	10.6
239.17963	7.3
241.15973	3.8
241.19501	5.6
251.17839	4.4
259.20575	4.7
263.20172	4.2
265.19305	4.1
275.20041	8.8
277.21753	4.2
284.17746	3.6
297.18341	3.0
307.20551	5.4
309.93781	3.3
325.21448	4.1
332.15402	3.8
377.28433	13.6
395.29388	52.7
413.30438	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06781	3.4
55.01865	11.4
55.05507	49.2
57.07077	5.0
65.03931	6.1
67.05500	100.0
69.03431	4.6
69.07066	43.3
69.91117	15.3
69.91534	6.5
71.04986	5.4
79.05489	45.8
81.03402	3.4
81.07058	52.7
83.04977	7.0
83.08637	18.4
91.05476	52.3
93.07038	45.4
93.80791	3.7
95.04961	7.8
95.08606	50.5
97.06525	8.0
97.10158	22.8
98.34005	3.2
105.07026	38.3
107.04952	12.9
107.08589	25.4
109.06535	3.5
109.10156	32.5
111.08108	3.2
117.07012	37.4
119.08582	34.4
121.06456	4.7
121.10143	17.9
123.11729	3.6
125.09633	14.0
128.06187	8.4
129.07001	35.9
131.04758	3.7
131.08571	37.4
133.10136	19.8
135.08067	6.1
135.11681	9.2
135.59021	3.7
141.07004	12.0
142.07860	3.7
143.08556	26.0
145.06465	8.1
145.10114	33.0
147.08025	6.8
147.11708	11.7
149.09618	7.7
153.06975	3.5
155.08548	21.9
156.09286	4.8
157.10158	30.2
159.08046	5.6
159.11691	22.5
161.09589	3.6
161.13280	7.0
167.08611	7.4
169.10100	20.9
171.08000	5.8
171.11691	22.7
173.09598	5.4
173.13252	15.1
175.11143	4.2
175.14911	4.9
181.10066	4.8
183.11707	16.7
185.13219	18.7
187.11212	6.2
187.14835	3.6
189.11263	6.0
189.12738	5.9
194.94553	3.5
195.11679	7.4
197.13319	13.5
199.14832	7.0
200.12083	4.1
201.12871	5.0
209.13260	7.8
211.14856	8.4
213.12891	4.1
223.14854	4.2
225.16296	8.6
227.17949	29.7
228.18216	3.3
241.19548	5.9
251.18044	5.1
253.19511	3.7
269.19064	3.3
275.19992	6.3
277.21780	4.0
301.21588	8.3
305.71320	3.4
325.21704	7.9
339.22888	3.6
343.22885	7.8
377.28543	4.3
395.29373	48.5
413.30554	64.7
414.21548	19.3
414.30328	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3052
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
53.03941	4.6
55.01866	8.2
55.05516	44.7
57.03417	3.5
57.07074	4.2
59.04987	2.6
59.88694	2.3
65.03935	6.8
65.08640	2.4
67.05507	74.2
67.79996	2.5
69.03439	5.1
69.07073	29.6
71.04996	6.2
71.32066	6.8
74.27880	2.3
79.05499	36.0
81.03436	4.2
81.07062	62.8
83.04986	7.1
83.08611	19.4
87.04447	2.8
91.05488	100.0
93.07056	33.1
95.04961	10.1
95.08614	47.0
97.06535	5.6
97.10181	18.7
105.07033	42.8
107.04957	8.4
107.08607	29.2
109.06532	4.8
109.10171	25.4
111.08091	4.4
115.05436	6.2
117.07017	35.8
119.08591	46.8
120.08852	2.4
121.06488	3.3
121.10159	22.0
123.08038	5.6
123.11727	8.8
125.09634	16.2
128.06250	7.3
129.07014	30.8
131.04980	2.5
131.08575	38.1
132.09065	2.7
133.06500	4.5
133.10139	27.3
135.08029	7.6
135.11699	10.3
137.06090	3.1
141.07008	13.3
142.07729	6.2
143.08582	25.6
145.06485	4.6
145.10141	28.6
147.08073	4.7
147.11699	16.7
149.09637	8.3
149.13258	5.2
155.08543	16.0
157.10139	22.7
159.08087	3.8
159.11696	25.1
161.09659	2.7
161.13264	5.7
163.07455	2.9
163.11104	3.2
166.09572	2.7
167.08569	8.8
169.10120	19.4
171.11729	19.7
173.09639	5.7
173.13289	11.3
175.11209	5.2
181.10115	9.4
183.11646	19.4
185.13257	17.1
187.11250	3.9
187.14861	5.6
189.11223	9.1
189.12683	3.3
189.16435	3.0
191.14357	2.9
195.11723	8.4
197.13275	10.9
199.14861	7.1
200.63237	2.5
201.12733	5.6
209.13231	9.7
211.14772	6.3
213.12708	3.6
213.16400	6.2
215.17932	4.6
217.15938	3.6
223.14928	4.0
225.16418	9.3
227.17958	44.8
237.16467	4.0
239.18036	5.0
241.19560	4.3
257.19138	3.4
269.18967	3.0
275.19980	5.8
277.21780	2.7
283.20367	3.3
301.21573	5.3
307.20233	2.9
325.21729	4.1
327.23044	3.9
329.25040	3.9
343.22672	4.0
367.30048	3.5
377.28433	7.4
395.29474	39.0
413.30579	51.8
414.30814	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1804
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
51.99911	1.9
53.03942	2.9
55.01873	6.4
55.05504	5.4
57.03425	7.2
58.75015	2.2
61.02924	5.2
65.03947	2.0
66.66856	1.8
66.92327	1.7
67.05505	9.5
69.03431	26.0
69.07052	4.4
70.06595	5.2
71.04997	4.8
71.58076	4.3
73.02909	5.2
79.05500	8.8
81.03426	14.1
81.07053	19.0
81.14285	2.1
84.08157	2.8
85.02905	44.9
85.06593	2.0
85.87502	1.9
86.09714	6.6
87.04472	4.4
91.05484	54.7
93.07053	12.9
95.04974	7.3
95.08615	4.8
97.02869	13.0
97.06512	4.5
98.97601	2.6
99.04445	5.4
103.05418	2.6
105.07030	20.4
107.04967	3.8
107.08615	8.1
109.02917	8.1
109.06527	7.8
109.10140	3.0
111.04431	3.8
115.05457	2.6
117.07010	14.8
119.08563	13.9
120.08115	5.1
121.06521	4.9
121.10145	4.4
124.07658	2.6
125.05942	3.6
127.03098	2.4
127.03893	12.0
128.06209	4.9
129.06989	9.9
130.06497	2.5
130.07779	3.6
131.04953	3.2
131.08560	19.6
133.06505	5.1
133.10130	12.0
133.10994	1.9
136.07564	3.4
137.06007	5.2
141.06995	3.4
142.07803	4.6
143.08548	18.6
144.09279	2.5
145.04979	9.7
145.06488	8.9
145.10127	54.5
147.08051	7.1
147.11707	8.4
149.09587	4.4
157.10117	14.8
158.07294	3.5
159.08073	6.1
159.11670	25.4
161.05927	2.6
161.09610	11.6
161.13242	2.6
163.11159	3.9
165.09019	3.5
165.12875	2.6
169.10040	10.1
171.07967	2.6
171.11639	10.7
173.09624	8.0
173.13225	17.1
175.11201	11.0
177.00287	2.6
177.05482	3.6
177.12775	3.4
181.10275	2.0
185.09599	4.9
187.11183	44.5
189.12730	6.5
191.07040	4.2
191.10675	8.7
192.07935	2.6
199.11205	4.6
203.10735	6.0
205.12228	17.8
215.10623	35.0
217.12317	10.2
221.11763	11.2
233.08142	2.7
233.11722	47.5
233.15390	6.5
235.13289	23.8
237.35680	2.1
251.12788	100.0
251.16515	4.9
252.13216	2.7
283.08539	4.0
327.14395	2.6
369.15250	7.6
395.17062	15.4
413.12753	11.9
413.17761	12.5
413.21719	16.1
439.13361	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1415
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05032	1.2
58.99090	0.4
69.03452	0.5
69.91702	0.8
69.92103	2.0
70.06583	1.2
70.06973	0.4
71.14597	0.3
74.06073	2.5
83.04977	0.5
83.75404	0.4
85.02908	0.9
85.11044	0.4
91.05484	0.5
95.04939	0.6
99.14868	0.5
102.05537	1.4
104.64028	0.4
110.06046	0.7
111.04462	0.7
114.56599	0.4
119.03558	2.3
120.06583	8.4
123.04475	0.6
130.22054	0.4
135.04472	0.6
136.06183	100.0
137.04570	1.8
137.06548	0.7
139.03839	0.4
142.08647	1.1
150.05550	0.8
162.04112	59.2
163.03993	1.7
164.07025	0.7
179.09055	0.4
186.05467	0.5
204.06516	0.7
221.04428	0.6
221.06400	1.1
222.07494	0.5
251.13728	0.6
268.10400	1.4
281.09924	47.7
282.10175	0.7
370.96072	0.4
413.14301	2.6
414.14056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81886	0.6
55.01855	0.6
56.05011	0.5
60.31549	0.5
60.63543	0.4
63.01289	0.5
67.05492	1.4
69.03429	2.5
69.07063	0.6
70.06575	1.6
70.17603	1.2
70.17997	0.8
71.04989	1.0
73.02895	0.7
77.15128	0.4
79.05491	1.8
81.03400	1.6
81.07052	1.8
81.64349	0.5
83.05013	0.6
84.04531	0.5
84.08125	0.7
85.02917	2.3
85.06531	0.8
86.09706	1.2
91.05464	1.8
93.07035	2.0
95.04974	1.5
95.08596	1.7
97.02885	1.1
97.06521	1.0
99.04441	0.6
101.12978	0.4
101.18845	0.4
105.07030	1.3
107.04970	1.0
107.08587	1.6
108.08109	0.7
109.02886	0.9
109.06500	0.6
109.10154	0.8
110.06046	1.3
110.09682	0.6
117.06992	1.2
119.08569	1.1
120.08088	0.9
121.10106	1.0
122.06042	0.6
123.08069	0.6
124.07587	2.6
125.08360	0.8
126.09140	1.7
127.03905	1.7
130.06525	0.6
130.25824	0.5
131.08606	0.6
133.10149	0.8
134.09613	1.1
135.04454	1.1
135.08034	1.1
136.07568	1.4
138.09120	1.6
140.07068	0.9
145.06482	1.1
145.10104	0.7
146.06013	0.8
147.04390	0.5
147.08055	1.2
147.11693	0.5
149.02319	0.6
149.05963	0.8
149.09645	0.6
150.05498	0.6
159.08055	0.6
159.11668	0.8
161.05992	0.7
163.03920	2.4
163.07578	0.9
163.11183	0.6
166.08665	2.3
175.03889	0.6
184.07368	1.5
188.14308	0.7
189.05263	0.6
190.11835	0.5
191.08154	0.5
203.05267	3.5
219.13675	0.5
231.13557	1.6
232.13312	0.7
249.11189	1.6
249.16235	2.3
273.16061	2.9
291.13794	0.6
291.17020	12.1
353.15665	8.0
367.11987	1.2
375.19189	0.5
393.19089	0.9
411.10971	2.9
411.19873	100.0
412.19971	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.03953	0.5
69.03419	2.1
69.99376	2.9
70.06590	1.2
72.00422	0.5
73.13929	0.4
81.03420	1.1
81.07082	0.9
84.08144	0.7
85.02896	1.8
85.14391	0.5
85.73694	0.5
86.09729	0.9
87.00819	0.5
91.05470	1.2
93.07061	0.9
95.04972	0.6
105.07039	1.1
107.04989	1.2
107.08588	1.6
119.01971	0.5
119.04942	0.8
119.08552	0.5
127.03910	0.9
131.08545	0.6
147.09132	0.6
163.03923	8.8
163.45427	0.4
198.05450	0.6
203.05286	4.4
213.16783	0.8
229.28854	0.6
231.13583	1.1
232.17012	0.7
233.10324	0.7
249.14854	0.7
250.05328	0.9
291.14435	0.9
353.15674	9.8
411.19904	100.0
412.20111	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1987
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.33095	0.6
57.16058	0.8
69.03426	1.5
70.73215	1.4
81.03408	1.1
84.08162	0.7
85.02905	2.1
91.05456	1.0
93.07050	0.7
95.08591	0.8
97.02896	0.9
99.04414	0.8
107.04948	1.6
109.02895	1.3
119.04914	1.4
127.03907	1.3
131.05038	0.7
163.03912	20.8
170.48257	0.7
172.46384	0.7
191.08176	0.8
203.05289	2.2
231.13611	1.0
249.14734	1.5
307.39847	0.7
328.37677	0.7
411.19843	100.0
412.11908	0.9
412.20236	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.0
55.01867	1.2
55.05505	1.0
56.96562	1.0
65.15544	0.5
66.97601	0.6
67.05508	2.8
69.03433	0.7
69.07050	1.4
70.41789	0.6
71.05016	0.6
71.58289	0.8
71.58669	0.6
72.45391	0.7
79.05488	6.2
81.03419	1.5
81.07053	4.4
83.04977	0.9
84.08118	0.8
84.78855	0.6
85.02905	1.3
91.05489	4.3
93.07058	3.6
95.04947	2.6
95.08620	3.7
97.02916	0.7
97.06488	1.0
97.10128	0.7
98.97575	1.2
99.04450	0.8
100.07619	0.8
103.05454	5.3
105.07025	13.7
107.04945	1.4
107.08574	2.1
109.02873	1.1
109.06474	1.1
109.10149	2.6
115.05449	1.5
116.98623	0.9
117.07000	1.1
119.08562	2.6
120.05710	1.3
121.06469	1.1
121.10130	1.6
123.08065	1.1
123.11697	0.7
127.03907	1.7
131.04918	1.2
131.08536	1.0
133.06503	2.8
133.10149	1.5
135.04402	0.9
135.08055	2.3
135.11659	1.2
137.05949	1.2
137.13213	0.9
143.08560	1.2
145.06442	1.0
145.10103	1.2
147.08072	1.2
147.11674	0.9
148.05180	0.9
151.07536	9.8
153.06830	0.7
155.08575	0.7
157.10094	1.1
159.08022	0.9
159.11691	1.7
161.05989	1.8
161.13242	0.9
163.03912	1.8
163.07535	100.0
164.07898	2.4
165.09125	2.4
169.10220	0.7
173.09448	0.6
173.11873	0.6
173.13260	0.8
175.07582	0.9
175.11137	0.7
177.09135	1.5
181.08580	16.0
181.10168	0.8
187.07559	0.8
189.09094	1.4
194.05205	0.9
201.09181	0.9
203.06989	2.1
205.08557	3.1
231.06546	2.7
245.51231	0.6
249.07584	6.4
327.03326	0.6
373.73605	0.7
387.09848	0.9
411.24689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17257	8.2
71.22401	12.3
71.22734	14.4
75.20454	7.9
76.69713	8.4
103.78587	8.5
107.04929	31.3
118.24566	8.8
128.49741	11.7
142.97453	10.8
157.57341	9.1
285.02176	9.4
305.02740	21.6
411.09201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96981	1.7
70.85004	7.0
89.35992	1.8
91.07363	2.1
103.60382	1.8
111.05554	2.3
115.80360	2.0
142.98396	1.8
151.39922	1.8
171.05052	2.5
177.65338	1.9
196.43056	2.2
198.08566	2.2
253.29068	2.0
325.95285	1.8
351.11395	4.5
411.08975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17773	0.2
53.03930	0.6
55.01861	0.8
55.05503	0.4
57.03410	0.2
60.66675	0.2
64.11623	0.2
65.03915	0.2
67.05493	0.5
68.66782	0.2
69.03404	0.6
69.07028	0.3
69.67432	0.5
69.67847	1.0
71.04967	0.3
77.14236	0.2
79.05486	4.2
81.03411	0.7
81.07031	0.5
83.04970	0.2
85.02897	0.6
91.05482	2.4
92.06235	0.3
93.07021	0.4
95.04967	1.7
95.08580	0.5
97.02843	0.4
103.04794	0.4
103.05461	6.6
105.07028	12.7
107.04944	0.6
107.08596	0.8
109.02832	0.3
109.06504	0.7
115.05432	1.3
117.07031	0.4
119.04907	0.4
119.08561	0.4
120.05728	1.1
121.06419	0.4
121.10107	0.2
123.08061	0.4
127.03854	0.3
128.98906	0.2
131.04926	2.3
133.06474	1.5
135.04424	1.1
135.08029	1.2
135.11664	0.2
148.05179	0.7
149.05954	0.2
149.09602	0.2
150.06720	0.3
151.07579	0.3
161.05956	0.5
163.07533	100.0
164.07906	2.2
165.09100	2.7
175.07481	0.3
177.09105	0.2
179.07037	1.1
181.08592	2.3
188.94052	0.2
189.09117	0.3
201.09181	0.2
203.07021	0.4
205.08577	1.5
213.03908	1.5
217.08578	0.2
228.51991	0.2
231.06462	0.3
245.65016	0.2
249.07584	1.0
271.09644	0.4
287.91736	0.2
293.10120	0.2
411.12448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2547
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
54.37562	0.7
55.05504	1.3
56.96546	1.4
65.65526	0.8
67.05486	1.2
69.03419	0.8
69.07031	1.2
70.21267	3.5
79.05473	1.3
81.07034	2.5
91.05455	1.2
93.07015	1.5
95.08604	1.1
97.06547	0.8
105.07027	1.2
107.08599	1.8
109.10164	1.3
127.51122	0.9
133.10132	0.8
136.06172	3.5
137.69409	0.8
163.07594	1.2
172.06155	0.9
186.07729	29.2
186.09341	1.6
187.08527	23.3
199.08620	0.8
200.09315	5.9
210.07738	3.3
212.09225	6.2
213.10049	1.1
214.10841	9.0
224.09334	3.2
226.10867	3.7
228.12334	2.1
238.10826	2.2
240.12437	4.2
242.14088	1.1
252.12511	1.1
254.14038	1.6
256.15598	1.7
266.13931	1.6
268.15491	1.4
305.11823	1.0
309.10843	1.2
310.16827	1.1
314.16061	2.5
330.11569	0.9
336.17755	0.9
339.12479	0.9
340.17761	1.4
342.19440	0.9
352.17804	1.4
354.19202	2.5
366.85406	0.9
392.03989	0.9
392.24396	7.7
410.25482	100.0
411.07581	0.8
411.25607	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01860	2.2
55.05512	1.9
56.32284	0.7
56.96569	0.9
57.03421	2.0
57.07062	2.0
61.02930	1.6
61.28743	0.8
64.75317	1.0
67.05518	1.7
69.03424	8.2
69.07069	1.9
71.04988	13.8
71.57726	1.0
71.58128	1.2
73.02914	2.8
73.06562	2.1
81.03421	9.0
81.07056	1.1
83.08601	1.0
85.02905	20.6
87.00833	10.0
87.08080	1.0
91.05522	0.9
97.02896	9.5
99.04471	2.7
101.02290	0.9
105.01852	8.5
105.07062	1.2
109.02892	7.6
109.10162	4.5
123.04457	1.4
127.03926	10.9
127.11199	25.2
138.78999	0.9
145.04951	6.4
145.12234	100.0
146.12604	3.3
159.02881	4.9
167.26688	0.8
172.93370	0.8
203.05223	0.8
231.05017	3.8
249.05923	0.9
257.79184	1.0
306.96854	1.0
342.09473	2.0
411.19888	3.6
421.62711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57043	2.4
55.01845	2.8
55.29665	2.3
57.03414	3.1
58.53671	2.4
59.44909	2.4
61.02922	3.6
66.92368	2.2
68.99776	3.3
69.03410	7.5
70.06575	10.0
71.04969	3.2
73.02853	2.2
75.71684	2.2
81.03411	12.8
84.91122	2.2
85.02906	28.2
87.00812	8.1
87.04484	2.7
93.07059	2.8
97.02867	7.4
99.04472	4.3
103.03922	3.2
105.01881	4.2
109.02871	6.6
117.05751	13.6
117.06989	6.7
118.06084	5.1
120.08083	6.0
120.83022	2.9
123.04423	5.4
126.09158	3.5
127.03887	10.5
129.07030	15.0
130.06532	23.4
131.06833	8.3
132.08072	10.9
143.07314	35.2
144.08093	83.0
145.08453	8.2
145.12181	4.3
147.02861	3.0
156.08073	24.0
157.08884	7.8
158.06001	4.7
158.09647	100.0
159.09998	3.0
160.07544	8.9
162.09152	8.6
167.07304	9.2
168.08099	30.1
170.09633	5.7
172.68364	2.3
174.09129	8.9
180.08060	4.3
182.09619	5.2
184.07587	28.7
186.07515	5.2
186.09135	86.3
196.11136	4.1
204.10178	67.5
206.09599	4.5
210.09148	2.6
224.10687	7.8
228.10190	4.7
234.09280	2.8
248.13156	3.3
252.10205	16.3
270.11157	8.3
272.71298	2.5
279.19443	2.4
288.12332	4.8
312.12271	3.1
330.13412	5.0
356.11188	7.6
374.12234	35.0
392.13361	39.4
406.44556	2.6
410.18692	68.8
410.24368	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.0
57.07060	9.0
67.05495	26.2
69.07059	15.6
71.04979	18.2
79.05494	21.4
81.07047	100.0
83.08627	7.7
91.05459	24.3
93.07040	76.4
95.08608	84.6
98.20745	23.9
105.07038	45.6
107.08576	56.9
109.10149	61.4
111.08070	13.4
117.07057	7.1
119.08580	56.4
121.10136	53.2
123.11699	25.6
128.14447	7.0
131.08562	21.4
133.10138	30.5
135.11682	25.0
143.08620	9.6
145.10097	20.9
147.11665	32.0
149.13251	54.0
157.10101	16.8
159.11693	28.4
161.13278	35.1
163.14807	26.8
173.13249	24.9
175.14825	20.7
187.14874	12.8
189.16364	26.3
191.17961	9.3
201.16403	13.2
203.17917	12.7
217.19527	33.5
227.18010	9.9
229.19556	12.2
229.31107	7.6
231.21037	14.3
255.21159	12.0
272.94879	7.7
322.32291	7.8
351.30325	8.6
391.33524	19.6
409.34662	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01853	2.4
55.05509	18.6
57.07059	6.2
59.05002	2.4
65.03928	2.9
67.05505	19.5
69.03410	8.1
69.07062	8.5
71.19727	4.6
79.05496	18.7
81.07047	35.0
83.04983	5.1
85.06528	5.5
91.05476	38.9
93.07039	43.5
95.04967	46.9
95.08612	29.9
97.06505	6.7
103.05465	3.6
105.07027	100.0
107.08582	25.3
109.06511	13.6
109.10154	10.8
115.05401	3.3
116.06226	2.4
117.07011	13.3
119.04910	2.7
119.08577	58.8
121.06494	13.7
121.10146	17.0
123.08057	16.3
128.06180	4.4
129.06984	6.3
130.07776	5.4
131.08560	24.4
133.06480	6.3
133.10135	18.2
135.08022	12.2
135.11697	4.5
137.09615	9.1
141.06932	4.4
142.07751	12.4
143.08525	14.1
145.10136	33.0
147.08063	19.2
147.11688	37.8
149.09607	13.0
150.10347	2.8
151.07547	16.0
155.08543	8.6
156.09277	2.7
157.10130	19.9
159.08032	5.6
159.11705	13.2
161.09641	7.3
161.13242	2.6
163.11192	5.7
165.01859	2.6
165.07019	3.7
165.09102	30.6
167.08560	2.6
168.09344	3.1
169.10144	10.0
171.11694	8.4
173.09610	6.7
173.13232	7.3
175.11176	29.0
177.09140	5.0
181.10147	2.8
181.12247	3.3
183.02844	4.6
183.11694	9.9
185.13205	6.7
187.11195	3.0
187.14828	2.4
189.12741	4.3
191.14291	3.2
195.11670	5.2
197.13229	6.2
201.12752	8.6
201.16420	2.0
203.14330	16.6
207.13799	7.9
209.13326	3.1
209.15285	3.1
211.14771	5.1
219.13799	5.6
221.15350	56.5
227.14471	2.5
229.15862	3.3
231.13712	3.4
233.15265	2.5
234.16173	16.6
269.18918	2.3
286.19141	2.0
287.20041	7.9
300.20889	2.5
329.21002	4.9
391.26041	3.5
409.27271	33.1
416.81454	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	21.6
57.07068	6.6
67.05497	29.5
69.03425	10.4
69.07067	9.8
79.05473	20.3
81.07056	39.5
85.06548	6.7
91.05465	30.6
93.07027	50.4
93.92516	6.0
95.04959	40.7
95.08598	38.5
97.06521	8.6
98.20722	13.9
100.45576	7.7
105.07031	100.0
107.08578	22.2
109.06499	9.9
109.10156	24.1
117.06992	12.1
119.08588	85.9
121.06488	12.6
121.10174	14.7
123.08072	22.2
129.07010	7.5
131.08546	25.0
133.06477	7.0
133.10132	29.1
135.08003	17.9
137.09605	6.3
142.07794	14.5
143.08572	18.2
145.10101	36.1
147.08083	13.9
147.11699	42.9
149.09612	8.4
151.07527	18.8
155.08530	7.4
157.10132	21.9
159.08095	6.7
159.11722	13.6
161.13295	11.6
163.07597	6.2
165.09106	34.2
169.10117	12.4
171.11739	8.1
173.13264	12.7
175.11157	20.3
182.12944	6.1
183.11670	13.7
187.11148	6.0
195.11746	6.7
203.14268	13.0
207.13870	10.5
221.15375	53.4
234.16145	14.5
287.20099	10.8
409.27481	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03931	6.4
54.61945	4.6
55.05494	16.2
57.07061	9.7
59.04977	7.5
61.41193	5.0
65.03935	5.4
67.05508	30.6
69.03410	10.4
69.07063	15.0
70.71934	13.1
79.05490	36.7
81.07057	49.2
83.04957	8.9
85.06557	7.3
85.30266	4.8
91.05469	41.6
91.53173	5.1
93.07044	56.5
95.04966	65.6
95.08614	42.1
97.06515	19.0
103.05475	8.2
105.07030	100.0
107.04929	5.4
107.08572	39.5
109.06496	16.3
109.10172	13.9
115.48073	4.9
117.07003	14.3
119.08579	76.9
121.06516	23.6
121.10122	22.4
123.08015	24.6
128.06209	8.3
128.76472	6.4
129.07031	8.3
130.07799	6.2
131.08553	32.7
133.06415	6.7
133.10136	30.6
135.08051	16.0
135.11613	9.2
137.09598	12.5
142.07748	17.2
143.08519	19.1
145.10110	46.0
147.08022	29.0
147.11681	45.0
149.09619	8.2
151.07550	32.4
153.06982	6.5
155.08585	10.7
156.09308	7.3
157.10098	27.6
159.08095	7.2
159.11650	20.4
161.09605	11.4
163.11140	8.0
165.09123	43.9
167.08636	8.6
168.09381	10.2
169.10130	14.0
171.11679	20.9
173.09613	10.0
173.13306	6.2
175.11230	26.5
175.66652	5.7
181.10028	6.4
183.11687	15.7
185.13208	9.1
187.11258	6.3
189.12694	12.4
199.14894	6.7
201.12782	9.4
203.14304	23.1
207.13828	14.1
211.14883	10.4
215.14424	8.0
221.15359	82.4
223.14594	6.6
229.15979	7.5
231.13739	7.4
234.16104	11.3
239.14194	5.3
286.19122	7.5
287.20065	11.4
329.20935	5.8
351.90463	5.9
391.26135	8.0
409.27350	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05478	1.5
56.96553	2.4
61.02895	1.4
67.05479	2.5
69.03408	3.5
69.07031	1.6
70.06564	3.8
70.70241	2.4
70.70602	2.3
72.08166	1.5
79.05427	2.2
81.03410	1.7
81.07041	2.8
84.08146	1.8
85.02870	2.9
86.09692	5.5
86.99854	1.3
91.05466	1.9
95.04957	1.7
95.08599	1.4
97.02877	1.5
98.97562	2.7
99.21119	1.0
105.07021	2.0
106.25248	1.3
107.08559	1.9
109.02849	1.8
109.06454	1.7
116.98638	2.6
119.08568	1.9
120.08095	2.8
124.72044	1.4
131.08534	1.7
134.99634	1.9
135.08032	1.7
136.07579	1.5
137.89816	1.1
142.06625	1.3
143.06862	1.5
150.18771	1.3
160.07585	4.9
161.05902	3.0
161.07903	4.8
175.20290	1.1
177.00754	1.6
187.05043	2.2
194.43913	1.3
206.04509	1.3
211.08850	1.2
241.09651	1.7
243.07645	2.6
247.09698	1.8
247.13623	1.3
257.09253	1.4
261.08694	1.7
271.07202	1.7
277.96249	1.2
285.08682	6.4
289.08173	3.4
297.08542	1.5
303.09488	2.9
313.08075	8.1
315.09702	2.2
331.09381	8.2
333.10638	1.5
349.10333	9.7
359.08740	3.5
367.11145	1.9
377.09900	2.7
391.11111	3.6
409.12469	3.9
409.18280	100.0
410.18564	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
64.11599	0.6
69.03410	1.1
71.57561	1.1
79.05478	0.8
81.03416	1.6
81.07053	1.2
85.02901	2.1
87.00806	0.8
91.05474	1.3
93.07052	1.1
97.02869	1.1
99.04378	0.8
102.57310	0.6
105.07015	1.0
107.08579	0.7
109.02862	0.7
117.05756	17.2
117.06580	0.8
117.07020	1.5
120.08095	0.9
123.08038	0.7
127.03912	1.1
129.06923	1.2
130.06523	29.6
137.27046	0.6
140.98328	0.6
143.07300	19.0
143.08418	1.2
144.08090	20.3
145.08823	2.3
145.12195	0.6
147.08057	1.0
156.08130	1.3
158.09636	4.6
161.05975	0.6
167.06956	0.8
168.08084	1.1
174.09145	0.7
184.07640	0.7
186.09140	4.3
187.81004	0.5
198.09354	0.5
204.10245	3.2
229.12317	0.7
247.13057	2.9
374.12271	1.4
392.13455	1.3
409.18314	100.0
410.18671	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84224	0.5
66.94662	0.5
67.05492	1.0
69.03416	1.4
69.07061	0.9
70.06580	0.9
70.85119	1.4
72.08179	0.6
79.05505	0.7
81.03419	0.7
81.07048	0.8
84.08107	1.0
85.02905	1.7
86.09686	1.0
91.05456	1.3
93.07027	0.7
94.06566	1.8
95.01293	0.5
95.04967	0.9
105.06995	0.9
107.08591	2.3
108.04479	1.0
108.08916	1.1
109.10193	0.7
112.07590	0.6
119.08567	0.7
121.10117	0.6
122.06046	3.2
123.11667	0.6
125.09583	1.1
126.09962	1.5
127.03878	0.7
130.06506	0.8
133.10065	0.7
135.08003	0.6
136.03873	0.7
140.07050	3.0
145.10106	0.8
154.04982	16.3
154.08563	1.3
157.07581	0.8
161.05966	10.3
162.06445	0.8
166.07234	1.4
178.04970	8.5
184.70131	0.6
185.07166	0.7
203.08192	0.6
206.04495	9.2
211.07529	0.8
223.08656	0.6
229.08578	4.0
238.07022	3.1
247.09656	2.0
247.13156	0.9
254.19948	0.6
271.07135	0.5
272.23575	0.5
285.09006	1.3
287.06628	1.2
289.08041	0.8
331.09235	1.7
345.10687	0.7
349.10724	0.7
359.08539	1.2
373.14056	0.6
377.09378	1.2
409.18311	100.0
410.18704	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.6
56.05843	1.5
58.99570	3.0
67.05480	1.3
69.03407	3.2
69.07074	1.3
69.88107	5.3
70.06593	4.7
71.04954	1.0
72.08131	3.0
76.02190	1.3
76.03989	1.3
79.05480	1.5
81.03403	1.5
81.07033	2.7
82.07359	1.1
83.04954	1.1
83.08617	6.9
84.04491	6.0
84.08131	1.9
84.08920	2.4
85.02883	3.4
85.06554	1.6
86.09693	6.2
86.99028	2.2
87.04472	1.0
87.99346	1.2
91.05463	1.8
93.07005	1.6
95.04944	2.1
97.02867	2.3
98.23658	0.9
105.07019	1.4
107.04868	1.1
107.08580	1.2
109.02864	1.6
116.01676	10.2
117.02022	2.8
118.01251	1.4
119.08538	1.5
120.08141	5.0
122.05997	1.3
123.04377	1.7
124.07563	1.2
127.03806	1.1
130.04962	1.1
136.07570	2.3
137.06020	1.2
138.09111	2.5
143.08582	1.4
144.01117	5.6
145.01491	2.4
145.10117	1.5
147.04370	1.7
154.04956	2.8
159.08330	4.0
160.07545	6.9
160.08693	2.0
161.05975	2.5
161.07919	10.8
162.02194	13.5
163.02596	6.3
167.06970	1.6
169.71220	1.1
178.05003	1.0
196.12506	1.1
198.07832	1.1
200.13864	1.2
206.04352	0.9
207.11229	1.8
211.08662	3.0
211.14709	1.2
212.09483	1.9
213.10223	4.3
215.11713	2.3
216.09857	1.0
217.09645	1.9
225.06715	1.1
225.10202	4.9
227.08163	2.1
229.04817	1.1
229.09619	3.1
229.15723	1.1
239.08154	5.8
239.11761	4.3
240.08916	3.1
241.09671	5.6
242.10265	1.8
243.07661	1.6
243.11249	7.9
247.05797	1.3
253.09718	7.1
254.10687	1.2
257.09131	2.2
257.12881	2.3
259.10864	4.6
262.11053	4.9
263.11331	7.1
267.07690	1.4
267.11261	3.8
268.08472	8.2
269.12744	1.7
271.07764	1.8
271.10739	31.1
273.12292	1.7
275.10242	1.7
277.11804	5.4
280.14084	2.4
281.09381	1.4
285.08917	2.2
285.12347	6.1
289.11761	3.7
295.10657	4.4
300.11038	1.3
303.10010	1.4
313.11795	6.3
317.11630	1.8
323.10229	9.3
327.13171	1.5
334.15042	2.4
335.12357	3.1
341.11301	18.7
345.14407	2.4
355.12692	3.7
359.12256	3.8
365.12216	1.1
373.13892	12.8
391.14978	27.6
409.11548	4.2
409.15958	100.0
410.16400	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1494
Annotation	Praeroside V
Peak:m/z	Relative Intensity
55.01863	0.6
55.05503	0.9
63.98463	0.4
65.03953	0.4
67.05494	1.6
69.03428	2.0
69.07044	1.1
71.04996	0.5
71.57559	0.8
79.05462	2.0
81.03393	1.2
81.07053	2.3
81.61082	0.5
83.04984	1.0
83.08628	0.7
84.08131	0.4
85.02888	1.2
85.06518	0.6
86.09673	0.5
91.05463	1.9
91.48870	0.4
93.03376	0.6
93.07066	2.0
95.01275	0.4
95.04956	1.7
95.08592	1.3
97.02878	0.8
97.06508	1.2
98.97592	0.5
101.07980	0.4
103.05445	0.7
105.07008	1.8
105.57935	0.4
107.04928	1.5
107.08594	1.2
109.02856	1.1
109.06517	0.7
109.10142	0.9
115.03918	0.4
115.15173	0.4
116.98656	0.8
117.06992	0.8
119.08578	1.4
121.02839	0.7
121.06513	0.8
121.10133	1.0
123.04435	0.5
123.08054	0.6
125.05972	0.5
125.09620	0.7
127.03920	0.9
129.07097	0.4
131.04913	0.6
131.08572	0.9
133.06520	0.5
133.10106	1.0
134.99673	0.6
135.04388	2.6
135.11691	0.5
137.02341	1.6
137.05986	0.8
145.10072	0.9
147.04414	0.7
149.05956	1.6
149.09604	0.4
149.13171	0.6
151.07536	3.5
157.10138	0.7
161.05997	2.4
161.13278	0.5
163.03873	3.7
163.07520	0.5
169.10176	0.4
173.09648	0.8
175.07562	0.5
177.05399	1.0
179.03389	1.2
181.08601	0.6
191.03386	39.8
192.03784	1.0
203.03346	0.6
205.04948	15.2
207.63185	0.5
217.04926	1.7
247.09648	100.0
248.10019	2.9
349.12732	0.5
409.18527	2.6
409.30927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
60.04530	2.7
61.02916	2.2
62.53466	2.0
65.03941	1.9
67.05507	3.6
68.05406	1.8
68.99770	3.0
69.03425	10.4
69.07066	2.6
70.06589	11.4
70.71075	4.5
70.71446	4.3
72.08127	2.4
74.06087	2.2
74.20360	1.9
79.05486	3.3
81.03407	5.1
83.04990	2.6
84.04491	3.9
84.08150	3.2
85.02907	15.3
86.06071	2.9
86.09693	4.6
91.05447	3.4
93.73740	1.9
95.04955	4.9
97.02895	5.9
97.06525	3.9
98.97585	3.5
99.04482	2.0
107.04936	11.8
107.08593	2.6
108.05268	5.5
109.02906	2.9
109.08479	2.0
111.04414	4.2
114.09169	2.8
116.98630	3.3
120.08128	2.8
122.06009	3.8
123.04414	4.9
127.03915	5.5
130.22731	2.3
131.04887	4.1
135.04404	8.6
136.04800	3.4
137.02289	3.0
137.05930	4.0
142.08575	2.6
145.05048	2.4
149.06026	4.0
156.08127	3.8
157.93430	2.3
160.07588	12.9
160.13257	2.7
161.05945	4.3
162.06334	3.5
162.09167	2.1
163.03854	2.9
167.07034	100.0
168.07495	3.3
181.08505	2.7
182.06830	3.9
183.10504	2.0
193.08609	4.3
197.09766	2.3
205.96782	2.5
211.09615	13.4
227.06821	2.4
228.07323	7.8
228.15991	2.5
229.10669	6.6
234.99010	3.1
235.97552	2.3
245.08002	9.1
246.08478	20.0
247.10782	3.0
252.97925	6.6
275.97052	6.2
303.05005	3.1
390.21085	3.0
408.19406	30.7
409.11237	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
66.49956	0.6
66.52328	0.5
67.05489	1.6
68.46196	0.6
69.07053	1.7
79.05486	1.8
81.03426	0.7
81.07040	1.9
91.05465	3.0
93.07031	2.3
95.04952	0.8
95.08574	2.0
98.20769	1.3
105.07008	2.5
107.08611	1.7
109.06508	0.7
109.10106	1.3
117.07034	0.9
119.08551	1.7
121.10113	1.1
131.08553	0.9
133.10138	1.1
133.26848	0.6
135.08020	0.6
139.11159	0.6
161.02370	0.9
163.03941	0.7
267.10159	0.8
321.16879	4.0
407.24008	100.0
407.35468	2.8
408.24265	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
57.03420	4.3
60.04519	2.4
61.02932	2.9
63.02061	1.2
67.05497	1.9
68.80671	1.2
69.03426	11.7
70.06581	5.8
71.01347	1.2
71.04978	2.1
71.27685	1.5
71.57597	1.8
71.57981	1.6
72.08150	1.6
73.02901	3.3
75.08405	1.3
81.03403	7.4
81.07052	2.5
83.04997	2.2
84.04517	1.5
84.08163	2.0
85.02892	16.1
86.06053	1.6
91.05490	2.6
93.07018	2.1
97.02882	8.9
99.04468	2.6
107.04903	1.3
107.41970	1.5
109.02883	6.7
111.04465	1.7
115.03928	1.8
115.05451	16.8
116.98653	1.7
120.08151	1.8
123.04404	5.7
124.04753	1.6
127.03880	8.2
130.06505	8.4
132.08080	6.0
135.04356	1.9
142.06512	100.0
143.07301	7.3
144.08075	5.1
149.09627	1.6
151.07559	1.8
158.06039	4.7
160.07581	91.4
163.02422	1.3
163.03903	5.6
167.07025	1.6
172.07643	1.4
182.06313	2.9
187.06035	2.6
188.07025	3.5
216.92384	1.6
218.05573	1.7
228.06911	2.3
228.15852	1.7
237.74275	1.4
246.05292	2.0
246.07646	2.4
246.16924	2.2
252.97871	2.1
269.98227	2.2
271.83014	1.5
286.34079	1.5
322.12726	4.6
364.13858	29.8
408.12894	31.0
408.21924	2.6
409.13245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
56.96552	2.6
65.26421	0.6
66.41542	0.6
67.05489	1.2
69.07063	0.6
70.49100	1.9
79.05483	1.3
81.07045	1.7
85.02909	0.7
91.05478	1.0
93.07030	1.7
95.04968	0.8
97.10184	0.7
105.06982	1.9
107.08592	0.9
109.06578	0.7
115.05357	0.6
119.08563	1.1
133.10123	0.7
143.08517	0.8
152.17953	0.5
157.10129	0.7
173.30920	0.5
217.07484	1.1
233.15863	0.6
259.08542	1.8
309.16708	0.9
321.16672	4.9
329.14267	0.8
338.17029	0.7
347.15323	2.4
349.16833	2.7
365.16125	1.1
366.36978	0.6
367.17838	3.7
385.19125	1.9
407.24026	100.0
408.24487	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1851
Annotation	Lespedezol E1
Peak:m/z	Relative Intensity
55.01857	0.8
66.55608	0.2
67.05518	0.6
68.99801	0.5
69.03458	0.3
69.07061	0.9
69.31218	0.6
69.31618	2.8
79.05464	0.4
81.07041	1.1
83.08583	0.5
87.10001	0.3
91.05458	0.7
93.07042	0.5
95.08602	0.4
101.75686	0.3
101.90774	0.2
105.07005	1.0
107.08576	0.5
113.00041	0.5
119.04948	2.0
119.05649	0.3
119.08568	0.6
121.02861	3.8
121.10087	0.5
129.06985	0.3
131.08582	0.4
133.10155	0.3
137.02319	0.7
141.01813	3.6
145.10112	0.4
157.10155	0.4
163.11256	0.3
165.01833	16.5
169.02615	0.3
174.72740	0.3
183.02888	16.0
184.03278	0.3
283.06000	100.0
284.06369	2.2
297.07602	0.4
328.11682	0.3
389.20377	0.3
407.18436	6.5
417.11285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
55.05503	2.9
67.05492	4.8
69.07055	2.7
69.94467	10.9
79.05493	4.2
81.03419	2.4
81.07036	5.8
83.08569	1.7
85.02888	2.5
86.04279	2.0
91.05466	5.1
93.07042	5.2
95.04951	3.9
95.08591	6.2
100.24087	1.7
105.07015	5.8
107.08565	5.9
109.06483	2.4
109.10148	4.5
117.06999	3.2
119.08566	5.7
121.10179	2.9
123.11662	2.0
125.09664	1.7
131.08545	6.3
131.13560	1.7
133.10114	3.0
139.07539	2.1
141.06966	19.0
143.08557	2.1
147.11729	2.3
157.10146	4.2
159.08008	2.7
161.05992	2.5
163.07571	3.2
167.49556	2.0
169.06482	6.4
173.05963	12.8
187.07521	5.0
197.05937	7.9
197.13289	1.9
215.07021	100.0
221.13303	2.0
255.42392	2.2
261.84152	1.9
287.05902	1.9
299.89975	1.9
406.13849	1.9
407.24426	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
61.02898	1.3
69.03127	0.4
69.03431	4.6
70.06586	1.0
70.82707	1.0
70.83053	0.5
71.01338	0.6
71.04981	1.5
73.02896	1.3
75.04454	0.7
79.05456	0.4
81.03398	1.4
81.07036	0.6
84.04504	0.9
85.02867	1.4
86.09659	0.6
87.48284	0.4
97.02858	0.6
99.04427	1.1
105.07016	0.5
107.04941	0.6
108.08102	1.0
120.08070	0.8
132.08028	0.7
134.09668	0.6
135.04373	0.8
136.07527	1.5
136.69714	0.5
137.05930	0.6
147.09146	1.9
157.07655	1.0
159.07970	0.9
159.09177	9.0
160.07510	0.5
160.09743	0.5
172.08670	1.8
174.08936	0.7
174.10271	8.0
175.08676	1.0
184.08705	3.3
185.07095	7.2
186.10234	1.8
187.08652	20.3
190.08644	0.9
203.08057	0.6
212.08081	3.4
230.09230	21.0
231.03125	0.7
231.07594	1.8
245.07977	1.0
255.08719	0.5
256.07193	5.8
259.11169	0.6
260.11429	1.6
273.09796	30.4
274.10056	1.6
315.39462	0.5
321.06320	1.0
321.14413	7.3
346.13959	0.6
364.15030	4.6
365.14359	0.4
390.12796	1.6
407.15536	100.0
408.15936	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.5
56.96553	13.3
67.05487	28.9
69.03430	16.2
69.07047	7.3
70.06583	21.4
70.73569	28.0
74.29739	7.8
79.05508	14.4
81.07064	50.0
83.04969	28.3
83.08591	17.6
85.02911	20.0
85.06563	17.3
91.05494	11.8
93.07041	27.5
95.04945	16.1
95.08607	55.5
98.85342	7.9
98.97570	84.6
105.07018	29.5
107.04896	9.1
107.08574	34.7
109.06519	51.4
109.10147	25.8
109.72163	8.4
113.05992	9.4
116.98652	49.9
118.34676	10.0
119.08601	19.2
121.10133	59.2
123.08036	29.9
123.11717	24.7
125.09621	16.0
127.03960	10.5
127.63439	8.2
128.07089	9.8
131.08591	9.5
133.10114	31.4
134.99684	11.2
135.08022	14.3
135.11700	17.1
145.10101	10.6
147.11748	17.9
149.09592	23.9
149.13284	17.8
151.11182	22.0
153.09074	17.2
158.99629	15.3
163.14828	21.4
167.14270	21.5
171.11702	7.8
173.80840	8.6
177.00677	24.2
189.12834	9.7
191.14278	19.5
207.13828	21.1
209.15370	100.0
263.09549	14.5
281.10638	16.5
303.10858	14.8
313.07175	8.4
323.11591	41.5
341.12650	16.4
347.49979	9.2
365.12897	13.2
376.19165	8.1
383.13803	9.8
425.14713	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
57.03425	3.8
59.05001	2.4
61.94989	2.0
67.05499	3.4
69.03422	4.4
69.07050	2.5
71.04990	4.0
71.58264	3.7
75.04472	7.4
79.05508	2.9
81.07034	6.0
85.02918	4.3
85.17677	2.1
86.09674	2.8
91.05495	2.8
93.07046	3.5
95.04968	2.9
95.08640	3.0
99.37193	2.3
107.08578	13.5
109.10158	14.0
121.10142	13.1
123.11700	2.5
125.09605	3.2
129.09109	2.3
133.10130	4.5
135.08046	6.0
135.11713	5.9
137.09619	9.8
139.11130	3.1
139.64345	2.1
143.03407	5.3
143.10672	2.4
145.10124	2.7
149.05962	2.2
149.13237	6.0
151.11176	15.3
159.02977	2.4
163.14883	10.7
169.12163	3.7
173.13258	8.9
191.14301	36.2
209.15385	23.2
227.16418	100.0
228.16705	4.7
240.08356	4.3
246.13011	3.9
258.95715	2.3
268.08017	3.3
270.44830	2.8
282.09457	3.2
300.10626	3.6
328.10022	7.9
334.83655	2.5
336.98331	2.3
346.11093	13.8
374.10754	14.8
375.10889	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	45.5
56.96844	2.8
59.50050	1.8
69.07056	2.2
71.58573	3.0
71.95239	2.5
72.26756	2.0
74.97601	2.6
81.07063	3.4
87.25977	2.0
93.07021	3.1
102.03738	2.1
103.00726	2.1
105.07083	1.9
105.30279	2.2
111.20325	2.0
128.98607	3.5
133.01820	2.5
146.99675	3.8
155.03831	3.3
159.03181	2.1
161.04636	2.0
171.03270	3.9
175.02817	2.9
185.04890	4.3
189.04352	11.2
199.06425	14.8
201.04370	4.4
203.05968	5.6
211.02785	2.4
211.06497	3.4
213.08026	10.4
215.05928	4.1
217.07469	23.8
223.06445	8.2
227.05968	3.7
229.07463	6.9
231.09081	8.7
241.07436	34.4
243.09026	3.9
247.08583	6.4
253.07312	11.1
255.09085	9.8
259.08524	65.1
259.11151	3.7
261.09998	2.4
264.08972	3.2
267.09109	2.1
271.08588	8.0
273.10068	4.6
277.09592	11.4
282.10144	6.7
285.10095	3.4
329.14191	13.0
347.15305	79.6
348.15674	3.0
365.16360	100.0
366.16779	3.1
370.16779	3.1
383.17441	58.2
384.17596	2.7
388.18088	11.6
401.18353	4.2
406.18671	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.2
55.05493	3.3
55.26557	1.1
56.05037	7.5
57.03433	6.7
58.99583	16.4
68.05007	2.3
69.03415	2.3
69.07053	1.7
69.44130	8.6
70.02944	1.0
70.06557	1.8
72.89086	0.9
73.01144	2.7
74.00652	2.7
76.02225	23.9
76.03978	2.6
79.05489	5.6
80.05008	2.1
81.03412	2.1
81.07051	20.5
83.06113	2.0
84.04499	29.9
84.08115	1.1
85.01124	5.1
85.02887	3.6
86.00648	5.5
86.03244	1.1
86.09709	2.9
86.99035	8.1
87.02684	6.6
88.02195	2.1
90.88280	1.3
93.07065	2.4
94.06557	1.3
95.04947	1.1
95.08608	3.5
96.08129	2.3
97.01109	1.5
97.02873	1.3
97.06506	3.2
98.09687	14.2
98.26144	1.1
99.05566	1.2
99.08092	6.5
102.05499	5.3
105.07001	2.3
110.09647	1.1
111.02660	1.4
112.03964	3.2
113.04237	7.9
115.05773	2.4
115.86427	0.9
116.01669	30.5
121.02764	1.1
121.06467	1.5
122.09659	2.1
123.08109	1.6
123.10416	1.0
127.03872	2.1
127.05774	1.1
128.07051	1.5
129.06592	4.0
130.04999	9.4
130.06857	4.0
130.08588	1.3
133.49924	1.1
136.06364	1.1
139.05724	2.1
142.03189	3.5
143.02745	1.5
144.01115	8.0
156.08405	19.6
156.10190	13.8
157.06841	8.3
157.12274	1.5
162.02191	22.7
164.45485	1.1
167.07040	6.8
173.16273	1.0
174.09465	14.0
179.04814	11.9
187.05370	1.0
189.03275	1.8
198.06387	1.5
210.11201	3.4
215.07005	3.8
216.07040	10.3
227.09009	1.6
233.05853	1.5
243.06535	4.9
244.06792	10.6
259.11105	100.0
260.11560	2.5
268.07034	1.5
285.12506	1.5
299.73557	1.1
313.12024	3.3
331.13086	6.0
400.89783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03934	0.6
55.01874	0.7
56.05031	0.5
56.96533	0.6
58.02742	0.5
61.02909	0.8
62.46436	0.5
67.05496	1.1
69.03421	1.3
69.07053	0.5
70.06573	1.1
71.04987	0.4
71.57600	0.8
73.02918	0.5
74.06100	0.6
76.48473	0.4
77.03912	1.0
79.05482	1.1
81.03416	0.6
81.07048	0.6
84.08129	0.6
85.02900	3.2
86.09697	0.8
90.35550	0.5
91.05496	0.7
93.07068	0.7
95.04954	2.1
97.02885	1.7
105.03384	1.3
105.07045	0.7
106.13196	0.4
107.04949	29.0
108.05257	0.8
109.02900	0.9
116.07046	0.5
122.06033	0.6
123.04422	100.0
124.04755	1.0
131.08519	0.6
136.07529	0.5
140.10661	0.5
145.04973	1.1
147.04424	0.5
154.08649	0.6
158.11765	3.5
163.03976	0.9
163.11014	0.5
164.04317	0.6
167.07024	2.1
178.56863	0.5
179.03398	1.2
180.08662	1.3
226.14322	0.8
244.15424	1.4
254.09264	0.5
259.11523	1.0
260.01935	0.5
333.41086	0.5
348.51797	0.5
406.14008	0.5
406.20944	0.8
406.28244	0.7
424.45264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03942	12.3
55.01876	18.5
55.05513	42.7
57.03431	10.8
57.07077	7.3
65.03929	7.2
67.05507	91.9
69.03434	40.6
69.06713	4.4
69.07069	39.2
71.01345	3.6
71.04993	13.0
71.58109	2.9
71.58523	4.0
73.02902	6.7
79.05497	86.7
81.03427	43.6
81.07061	100.0
83.04985	24.1
83.08609	20.0
85.02905	13.5
85.06542	7.5
87.04452	3.9
91.05483	92.5
93.07050	89.1
95.04968	26.8
95.08611	71.1
97.02889	14.6
97.06528	14.7
97.10167	7.8
99.04469	9.0
103.05439	4.7
105.07037	95.6
107.04939	12.6
107.08602	56.5
109.02902	7.9
109.06512	14.8
109.10159	27.8
111.04468	17.3
111.08098	5.7
113.00052	3.8
115.03925	4.5
115.05466	5.1
116.06269	4.5
117.07022	55.6
119.04984	3.9
119.07793	5.0
119.08586	63.5
121.06526	14.1
121.10153	40.2
123.04440	6.8
123.08073	9.7
123.11716	12.2
125.09657	6.9
127.03901	4.7
128.06204	8.0
129.05502	5.5
129.07013	31.0
130.07845	3.1
131.08572	63.1
133.06479	9.5
133.10136	47.2
134.46869	2.7
135.08049	11.6
135.11702	22.8
137.09602	6.2
137.13312	2.9
139.11252	3.5
141.06999	10.5
142.07787	7.4
143.08577	32.5
144.09291	3.4
145.06483	7.3
145.10135	50.6
147.08052	14.7
147.11688	33.0
149.09604	11.5
149.13254	12.8
151.07549	3.8
154.07721	3.1
155.08601	13.4
157.06551	4.2
157.10156	22.5
159.08063	11.8
159.11700	46.3
161.09624	11.3
161.13222	15.1
163.11221	8.0
163.14827	3.3
165.08995	3.3
167.08643	8.0
169.02628	3.6
169.10150	14.5
171.08028	6.3
171.11703	22.4
173.09657	9.3
173.13254	26.2
175.11168	8.8
175.14833	9.9
177.12811	6.0
179.08644	3.4
181.10155	4.3
183.11766	10.6
185.09633	5.5
185.13243	21.5
187.11186	6.8
187.14786	7.9
189.12753	10.6
191.10794	3.7
195.11742	6.3
197.13324	6.9
199.11221	5.6
199.14865	7.5
201.12617	4.0
203.14351	4.5
207.11798	3.0
209.13242	4.5
211.11226	4.0
211.14828	5.7
213.12761	5.7
215.14310	3.7
219.13844	3.4
221.13358	4.8
225.16336	2.8
227.14354	2.7
238.09337	2.6
239.14369	3.1
259.20569	7.1
271.20621	7.7
273.22141	6.7
275.20248	2.7
275.23392	3.4
277.21655	8.2
285.22217	7.2
289.21646	12.3
291.23300	6.9
297.21841	3.3
299.23575	4.4
301.18481	4.1
301.21426	15.3
303.23083	8.4
308.76007	3.2
313.21652	7.9
315.23138	13.8
317.24872	3.6
319.22714	10.9
323.23615	3.6
327.23178	10.4
331.22690	5.6
333.22256	3.2
341.24710	14.2
343.23132	3.1
345.24188	8.6
351.23239	14.8
357.55396	3.0
359.25565	5.6
369.24292	54.7
370.24588	4.3
387.25372	46.0
405.26373	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2629
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
52.89642	3.2
53.03933	9.5
55.01878	16.7
55.05511	42.9
57.03436	16.6
57.07056	7.7
65.03928	6.0
65.36186	3.6
67.05502	89.7
69.03430	35.5
69.07064	34.1
70.02939	10.7
71.01343	4.2
71.04980	14.4
73.02900	4.2
79.05492	85.6
81.03413	38.2
81.06581	6.5
81.07053	100.0
83.04983	23.8
83.08619	27.9
85.02896	12.0
85.06531	5.2
87.04475	4.7
91.05482	81.2
93.07039	80.4
95.04966	20.4
95.08048	5.8
95.08601	66.2
97.02906	16.6
97.06537	5.9
97.10161	6.1
98.21468	4.2
99.04456	8.7
99.08117	4.4
103.05437	5.7
105.07027	82.6
107.04947	11.8
107.08595	49.9
109.02885	11.2
109.06508	11.4
109.10142	26.7
111.04439	15.6
111.08025	7.5
113.00024	5.6
113.02350	3.7
115.05466	4.9
115.93692	3.3
117.07016	47.8
119.08569	61.4
119.09365	5.0
121.06499	14.1
121.10142	36.8
123.04471	3.6
123.08057	13.6
123.11725	9.1
125.05975	3.6
125.09690	3.5
127.03919	13.8
128.06174	6.6
129.05495	6.6
129.07007	23.8
130.07840	4.0
131.04967	3.1
131.08572	53.5
133.06500	12.5
133.10132	42.6
135.08078	10.6
135.11700	20.7
137.09595	9.2
141.06995	6.3
142.07727	5.6
143.08569	27.6
144.09314	4.2
145.06483	9.6
145.10114	39.2
147.08022	11.0
147.11665	27.5
149.05931	3.7
149.09641	8.9
149.13257	12.7
151.07581	4.5
151.11116	3.4
153.09181	4.3
155.08563	10.6
156.09377	3.5
157.06438	3.9
157.10141	24.3
159.08038	9.8
159.11664	29.1
161.09660	12.1
161.13263	13.6
163.11148	6.7
163.14810	3.8
165.09129	5.1
169.02643	7.0
169.10141	10.9
171.08076	3.7
171.11678	21.2
173.09613	6.7
173.13261	21.7
175.11177	13.5
175.14830	4.7
177.12747	4.2
179.10585	3.9
181.10118	5.1
183.11702	7.8
185.09595	6.1
185.13263	11.4
187.11197	10.4
187.14862	8.9
189.09311	3.7
189.12804	4.3
193.10124	3.2
193.12181	4.7
195.11687	3.5
197.13229	6.5
199.11177	4.5
199.14886	7.8
201.12737	5.2
201.16481	3.9
203.14284	4.1
209.13217	5.9
211.14656	4.6
213.12863	5.1
215.14366	5.5
217.12148	3.9
227.14343	4.4
235.17065	3.7
243.13791	3.6
259.20621	6.3
261.22110	3.2
265.20236	3.2
271.20538	4.1
273.22070	7.8
277.21619	8.5
283.20605	5.1
285.22089	6.9
289.21625	8.8
291.23343	5.0
301.21729	12.6
301.36111	3.3
303.23227	7.5
313.21640	6.1
315.23123	7.5
317.24683	4.6
319.22696	12.1
327.23172	7.5
331.22623	5.5
341.24777	10.0
343.22336	3.1
345.24252	7.5
351.23114	10.0
369.24164	33.9
387.25296	32.8
405.26312	64.4
405.30972	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2629
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
51.05973	3.1
53.03931	11.8
55.01864	13.5
55.05507	38.4
57.03420	12.2
57.07069	6.2
60.74592	3.5
67.05502	88.1
69.03437	29.7
69.07067	34.4
70.96447	6.1
70.96825	8.2
71.01307	3.4
71.04977	9.4
71.08633	3.6
73.02897	3.6
75.22075	3.2
79.05062	6.6
79.05490	78.9
81.03414	39.7
81.07051	97.0
83.04972	21.7
83.08598	17.8
85.02914	12.4
85.06520	4.7
91.05479	86.2
93.06472	6.5
93.07037	100.0
95.04961	27.2
95.08606	65.7
97.02873	17.8
97.06533	12.5
97.10157	3.9
99.04440	11.5
99.08072	5.1
105.07019	77.0
107.04953	10.9
107.08587	48.5
109.02864	7.4
109.06513	18.7
109.10146	26.0
111.04439	16.8
111.08093	6.2
112.58325	3.5
115.03930	4.0
117.07018	36.7
119.08572	62.5
121.06501	9.1
121.10130	40.5
123.04449	6.8
123.08057	15.7
123.11700	8.1
124.90314	3.2
127.03901	10.7
128.06171	5.8
129.05493	5.6
129.06989	20.9
131.04921	4.3
131.08569	55.8
133.06505	11.0
133.10123	43.6
134.26164	3.3
135.08070	14.4
135.11696	24.9
137.09605	8.7
141.07042	8.2
142.07796	6.8
143.08565	22.4
145.06468	9.3
145.10117	44.2
147.08060	15.3
147.11719	24.2
149.09612	9.4
149.13269	14.1
151.11209	5.0
153.09180	4.0
155.08553	10.4
157.10149	25.7
159.08057	8.1
159.11703	30.4
161.09663	11.3
161.13255	14.4
163.07405	3.6
163.11154	6.1
169.10106	11.3
171.11670	19.3
173.09592	3.7
173.13252	23.5
175.07579	4.5
175.11148	7.4
175.14781	8.6
177.09096	5.6
177.12706	3.8
179.08528	5.1
179.14296	11.1
183.11642	10.1
185.09560	6.5
185.13283	12.6
187.11203	7.2
187.14816	11.0
189.12746	8.6
191.10660	3.5
191.14403	3.5
195.11757	4.9
197.09634	4.2
197.13309	7.9
199.11298	4.3
199.14807	8.0
201.53770	4.1
207.13721	4.1
211.14835	7.3
215.14320	6.2
225.01323	3.3
243.13850	4.7
247.16798	3.9
259.20575	6.8
261.21994	4.2
271.17068	4.6
271.20490	4.6
273.22165	4.8
275.20190	3.8
277.21628	9.2
289.21539	8.2
291.23312	6.1
301.21634	13.0
313.21536	6.1
315.23169	12.5
319.22815	9.1
327.23178	9.1
331.22678	6.5
341.24716	10.3
345.24274	8.6
351.23294	10.2
359.25876	4.4
369.24231	33.2
387.25305	35.6
405.25977	60.3
411.58698	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.7
55.05511	10.5
57.03429	5.9
57.07079	5.4
58.77002	0.9
59.31780	0.9
67.05506	7.8
69.07069	11.4
69.46284	8.6
71.08623	2.4
79.05488	3.8
81.07046	7.7
83.08617	12.9
93.07018	5.7
95.08627	6.4
96.19707	0.8
97.06528	2.2
97.10169	6.5
98.21490	2.1
107.08595	3.3
109.10164	2.1
111.08094	1.0
111.11726	2.1
113.00015	100.0
121.10128	6.2
123.11699	1.3
123.14561	1.0
135.11687	3.9
169.02606	98.4
170.02966	1.3
180.65271	1.0
206.18526	1.0
215.27231	1.2
219.21071	1.9
237.22096	6.9
260.53510	1.0
341.63684	1.0
394.27032	1.2
405.26120	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.6
55.05508	11.4
57.03437	6.0
57.07077	4.1
67.05500	7.1
69.07065	14.0
69.90754	1.8
69.91155	4.6
71.08616	2.1
71.23813	0.7
76.02457	0.8
79.05489	4.0
81.07043	5.9
83.08612	10.6
93.07053	4.1
93.07565	0.9
95.08595	4.2
97.06557	1.7
97.10162	9.8
107.08613	2.2
109.10152	2.5
111.08109	1.4
111.11692	2.0
113.00011	100.0
121.10160	4.4
125.09519	0.9
131.01085	1.4
135.11700	3.7
137.13283	1.1
152.21910	0.9
155.96169	0.9
169.02605	85.1
170.03154	1.0
233.08850	0.8
237.22112	6.3
256.89917	0.8
259.58020	0.8
276.72681	0.9
422.74683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.01860	2.8
55.05507	8.9
57.03436	5.7
57.07057	3.3
65.03924	0.9
67.05170	1.1
67.05498	12.2
69.03416	1.3
69.07064	11.7
70.18430	1.6
70.18828	1.4
71.04977	1.1
71.08626	6.2
79.05481	9.0
81.07046	17.8
83.04970	2.1
83.08618	5.7
85.06538	1.6
91.05470	9.2
93.07032	11.3
95.04952	2.1
95.07992	0.7
95.08600	15.2
97.06552	3.7
97.10182	1.8
99.08096	4.2
105.07021	12.0
107.08585	11.0
109.06512	11.8
109.10123	5.2
111.08096	1.9
117.07012	3.2
119.07797	1.2
119.08579	15.5
121.06500	1.7
121.10114	7.8
122.07260	0.9
123.08053	23.2
123.11707	2.6
131.08551	4.9
133.06433	0.7
133.10117	13.0
135.08038	11.3
135.11713	3.3
135.28711	0.6
137.09589	2.2
137.13245	0.9
143.08534	3.0
145.10092	5.1
147.08044	1.3
147.11678	7.9
149.09596	3.2
149.13217	4.1
157.10085	2.1
159.11679	3.8
161.09656	2.0
161.13275	2.0
163.11160	1.2
163.14821	1.1
165.12779	1.7
167.14317	2.2
169.10080	0.9
171.11664	2.0
173.09608	0.9
173.13231	1.3
174.45769	0.8
175.11188	1.0
175.14813	8.8
177.12714	3.9
177.16386	2.6
179.14291	24.2
183.11823	0.7
185.13225	0.9
187.14833	0.9
189.16357	0.8
191.14320	1.6
193.15784	1.6
199.14838	1.1
203.07048	2.0
205.15834	4.6
211.14825	0.7
217.15742	1.1
223.16962	0.8
231.15863	1.0
243.08986	0.8
263.20050	1.6
275.19995	0.9
277.21808	1.0
281.77734	0.8
283.05914	1.8
289.21555	5.1
293.21091	2.6
303.26712	1.4
319.22726	2.7
331.26315	11.9
347.25586	2.0
349.27344	7.6
357.27878	2.0
361.27435	1.0
369.27908	1.5
375.28839	2.6
387.29047	4.7
405.22421	100.0
405.29941	45.5
406.22742	5.0
406.30322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05510	10.0
56.96559	0.7
57.03437	4.6
57.07068	4.3
65.03935	1.0
67.05505	13.9
69.03435	1.2
69.06721	1.0
69.07066	11.7
70.91744	1.4
70.92082	0.8
71.05004	1.0
71.08630	5.1
79.05487	10.2
81.03400	0.7
81.07056	20.6
83.04978	2.4
83.08618	4.6
85.06535	2.1
91.05472	9.1
93.07045	11.9
95.04961	3.0
95.08600	13.4
95.09171	1.0
97.06521	3.2
97.10189	1.7
99.08099	3.2
105.07032	13.9
106.77265	0.8
107.04914	0.8
107.08585	13.8
109.06508	10.3
109.10143	6.3
111.08083	2.1
117.07019	2.9
119.08578	14.2
121.06490	1.4
121.10135	7.7
123.08059	21.6
123.08959	1.2
123.11718	2.3
125.09615	1.6
129.06967	0.8
131.08571	4.7
133.10120	13.3
135.08043	13.3
135.11653	1.8
137.09630	1.9
137.13246	1.5
141.07069	1.0
143.08530	1.4
145.10107	5.8
147.08020	1.2
147.11694	5.6
149.09593	3.3
149.13280	4.3
157.10115	2.0
159.08086	0.9
159.11639	3.7
161.09637	2.1
161.13269	2.6
163.11185	1.6
163.14619	0.8
165.12804	1.3
167.14296	1.4
171.11647	1.5
173.09668	0.8
173.13280	1.1
175.14810	7.4
177.12773	3.8
177.16386	2.3
179.14301	25.6
179.15829	1.3
183.11749	1.0
185.13252	1.0
187.14793	1.3
193.15912	1.7
199.14844	0.7
203.07059	1.5
203.14345	0.7
204.18874	0.7
205.15886	3.8
231.15770	0.9
263.20120	2.2
275.19968	1.0
277.21616	1.1
283.06049	0.8
289.21597	5.3
293.21075	2.0
303.26743	3.0
319.22604	3.1
331.26321	11.0
347.25839	1.8
349.23541	1.2
349.27338	7.6
357.27649	0.9
361.27490	1.4
369.27924	1.4
375.28912	1.9
387.28986	5.6
405.22455	100.0
405.29968	40.9
406.22647	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1178
Annotation	Moracin M 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.25429	0.7
53.03934	0.7
55.01860	1.7
57.03409	1.7
58.99580	1.1
61.02924	1.2
68.99770	2.5
69.03408	2.1
70.55104	2.4
71.04967	0.7
73.02888	0.9
76.02207	1.1
81.03394	2.2
81.07033	1.7
84.04492	1.8
84.08102	0.7
85.02895	4.6
86.09679	1.0
87.00844	1.0
91.05470	1.3
97.02893	1.4
97.06542	1.7
103.03946	1.3
107.04926	2.2
109.02840	1.7
115.05394	0.8
116.01633	0.9
117.07037	0.7
121.02848	1.8
123.04427	1.9
127.03912	2.8
131.04889	1.3
131.08507	0.8
133.02849	5.6
134.03629	6.2
137.02345	2.0
139.11151	1.2
141.06949	3.1
144.01122	0.8
144.05713	0.9
145.04962	0.9
145.06442	1.6
147.04390	4.8
147.07996	0.9
149.02339	4.6
156.08403	1.3
157.06555	0.7
157.12238	2.8
159.08012	0.8
162.02170	0.9
165.07036	0.9
169.06488	6.4
173.05965	2.0
183.07901	0.9
185.05919	1.6
186.06554	0.7
187.07506	3.4
197.05940	10.9
199.07420	0.8
211.07526	2.2
215.07016	50.7
216.07217	1.0
221.05963	2.0
225.05481	1.0
227.07056	1.3
237.02763	0.9
239.06952	5.6
242.05724	6.0
243.06491	100.0
244.06860	1.8
253.05000	2.7
255.06526	9.0
257.08069	1.8
259.11166	6.1
263.06943	0.9
266.05786	1.7
267.06528	17.5
267.09430	1.1
279.06598	2.5
281.08093	1.2
285.07605	6.5
305.08160	1.5
309.07516	3.0
351.08377	0.9
369.09274	1.1
405.11685	2.7
405.16739	1.1
405.26379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.9
55.05499	15.0
57.03419	9.6
67.05501	21.9
69.03427	30.0
69.07055	20.9
69.64886	9.3
70.06590	25.4
70.63506	13.8
70.63862	31.9
71.04992	10.0
72.08152	15.1
79.05502	13.3
79.39232	8.9
81.03412	24.5
81.07049	24.2
84.08140	14.1
85.02903	71.5
86.09686	46.6
87.00807	18.2
91.05470	32.0
93.07011	25.3
94.88522	11.0
95.04976	12.5
95.08583	15.3
97.02878	27.4
98.97590	20.7
99.04457	19.8
105.01897	9.7
105.07042	27.5
107.04914	9.9
107.08605	17.2
109.02849	18.5
109.06501	14.1
116.98638	9.9
119.04922	11.7
119.08580	18.0
121.06478	46.6
121.10198	9.0
123.11728	10.4
124.07574	12.9
125.06022	10.4
127.03918	50.2
133.06427	10.2
135.08012	13.7
138.09131	25.0
139.07536	17.2
145.10048	12.6
147.07916	9.5
147.11720	19.0
149.09679	10.7
157.08598	47.4
165.34262	9.7
171.11690	19.2
188.09312	13.7
189.12685	53.5
205.92276	10.2
207.13808	36.5
211.08801	13.4
222.04022	10.7
224.16463	23.6
224.52029	9.2
225.06566	13.5
225.10194	21.8
239.08209	20.6
242.17514	32.4
253.09578	14.0
271.07309	14.5
271.10788	20.2
281.09232	23.1
289.11838	11.9
299.10269	19.7
302.38577	10.3
307.10571	11.8
327.09775	53.6
345.10760	100.0
368.24362	15.2
373.10358	26.6
386.25436	12.3
387.15485	11.5
404.26315	42.4
405.17371	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.9
55.05495	10.7
56.96564	6.8
58.99563	8.9
67.05499	15.1
67.80250	6.4
69.03423	46.7
69.07061	10.0
69.49921	6.1
69.63573	50.5
70.06578	35.0
71.04985	10.1
73.02923	10.9
79.05493	17.5
81.03405	16.9
81.07066	29.2
82.06532	7.0
83.04972	9.6
84.08118	14.8
85.02895	78.5
86.09697	22.7
87.00832	12.8
91.05479	23.2
91.23682	6.2
93.07023	26.4
95.04897	6.8
95.08606	13.8
97.02872	25.7
97.06516	8.0
99.04439	12.4
100.07597	8.4
105.07016	8.6
105.13023	6.3
107.04939	18.7
107.08594	13.8
108.08089	10.4
109.02876	19.7
109.06438	7.0
109.10126	12.8
110.06013	6.9
110.09695	9.3
110.81994	6.8
111.08094	8.7
116.98642	6.2
119.05025	10.4
119.08550	11.1
121.06482	11.1
121.10133	12.3
123.08098	8.8
123.11724	18.4
124.03916	10.2
124.07613	8.0
126.09143	10.9
127.03916	29.2
129.06987	6.8
130.46202	7.9
131.08508	8.3
133.10115	6.8
137.02309	11.2
137.06023	10.9
138.09131	33.1
139.11142	16.6
145.04933	8.6
145.10086	10.9
147.04468	8.0
156.10196	100.0
159.02892	14.1
160.44519	7.3
167.06979	17.9
169.07646	9.6
175.03860	8.2
207.06471	14.8
207.13684	14.5
215.08264	16.5
224.16391	7.5
225.07645	10.9
231.07977	7.1
243.07660	37.3
257.09430	18.5
282.20639	21.0
292.93881	7.0
300.21716	24.6
308.22177	9.3
344.24234	8.1
345.10852	20.8
386.25165	14.9
404.26593	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40530	0.8
56.96560	15.6
67.05471	0.8
70.93286	1.2
70.93608	2.0
71.95243	2.4
81.07026	1.3
94.04173	2.1
95.08611	1.3
98.97571	32.7
99.44778	1.0
100.79482	0.8
114.54971	0.8
116.97972	0.9
116.98609	46.8
122.03652	3.9
134.99649	61.0
137.05962	41.4
137.07072	1.1
140.00200	2.6
153.00700	14.3
158.01247	5.1
176.02307	1.7
197.01161	3.7
198.01962	1.1
220.00464	1.6
223.02747	1.0
226.11145	13.3
235.00377	1.9
235.02747	37.9
238.01457	3.6
242.10704	1.8
244.12189	11.1
253.03815	100.0
254.04114	2.0
267.13580	1.1
268.12180	3.0
271.04837	8.8
276.05420	15.5
280.12210	1.7
286.13129	1.2
329.13110	1.4
344.15320	5.6
362.16422	2.7
404.17404	52.1
405.17798	1.8
405.22403	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.6
56.96570	59.6
63.26998	6.7
70.78962	21.9
71.95260	9.8
74.95947	7.9
81.03397	8.9
81.07040	9.7
84.96043	7.2
92.62385	7.5
93.07040	10.8
95.08545	7.3
107.08571	8.5
110.97514	8.0
128.98604	18.9
146.99625	38.7
165.00673	9.7
166.67883	8.0
243.09212	9.9
313.14838	33.1
315.16461	14.7
322.85742	8.6
331.15823	93.7
333.17398	56.4
345.17340	23.1
349.16861	72.1
351.18298	9.1
354.17435	11.0
363.18369	100.0
372.18762	10.9
381.19467	26.8
404.20996	10.2
405.22391	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45217	0.3
53.03933	0.7
57.03436	0.6
65.03930	2.8
67.05502	1.0
69.03420	1.0
69.10596	0.4
70.06580	1.7
71.58202	0.6
77.13858	0.4
79.05462	0.6
81.03400	1.1
81.07075	0.9
84.08153	0.5
85.02904	1.2
87.00840	0.5
91.05479	31.2
93.07045	8.6
95.04946	1.0
95.08609	0.7
96.08088	0.5
97.02886	0.9
100.07623	0.7
100.11248	0.5
105.07036	0.9
106.04171	0.8
107.04948	1.2
109.06512	9.7
119.06076	3.2
121.06503	100.0
122.06836	1.2
124.05208	1.8
130.05025	0.4
135.08098	0.6
138.09143	0.9
145.04974	0.4
163.07471	0.9
167.06976	0.4
229.08600	0.9
242.05615	0.5
250.25380	1.5
252.23216	1.1
278.24719	0.9
313.62241	0.4
320.26074	0.5
327.09451	0.5
332.25955	0.8
350.27014	1.4
366.78882	0.4
368.28094	2.4
386.29034	5.8
404.30115	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45217	0.3
53.03933	0.7
57.03436	0.6
65.03930	2.8
67.05502	1.0
69.03420	1.0
69.10596	0.4
70.06580	1.7
71.58202	0.6
77.13858	0.4
79.05462	0.6
81.03400	1.1
81.07075	0.9
84.08153	0.5
85.02904	1.2
87.00840	0.5
91.05479	31.2
93.07045	8.6
95.04946	1.0
95.08609	0.7
96.08088	0.5
97.02886	0.9
100.07623	0.7
100.11248	0.5
105.07036	0.9
106.04171	0.8
107.04948	1.2
109.06512	9.7
119.06076	3.2
121.06503	100.0
122.06836	1.2
124.05208	1.8
130.05025	0.4
135.08098	0.6
138.09143	0.9
145.04974	0.4
163.07471	0.9
167.06976	0.4
229.08600	0.9
242.05615	0.5
250.25380	1.5
252.23216	1.1
278.24719	0.9
313.62241	0.4
320.26074	0.5
327.09451	0.5
332.25955	0.8
350.27014	1.4
366.78882	0.4
368.28094	2.4
386.29034	5.8
404.30115	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64698	6.1
69.03419	6.8
69.94983	35.4
70.06571	11.5
72.08155	10.7
79.62948	5.2
80.04964	4.9
85.02898	10.7
85.59117	5.5
86.09710	13.4
94.36868	7.4
98.97564	11.4
119.55984	5.8
120.96642	5.9
127.99039	5.9
128.98630	5.8
165.74689	5.9
175.12000	6.3
177.00887	5.5
187.13623	6.0
224.30154	6.1
317.09164	8.4
359.10880	12.2
403.09598	100.0
403.13977	29.5
403.22821	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01864	0.9
55.05500	2.2
57.07071	0.9
65.03930	0.7
67.05501	4.1
68.99776	1.8
69.03422	6.7
69.07059	2.1
70.70497	1.5
71.04975	1.6
77.66793	0.5
77.92198	0.6
79.05488	7.0
81.03416	7.5
81.07049	6.0
83.01327	1.0
83.04977	3.6
83.08660	0.7
85.02895	0.8
87.00838	3.1
91.05476	7.3
93.07038	4.5
95.04980	3.6
95.08601	3.2
97.02875	0.7
97.06495	0.9
99.04442	0.8
103.05484	1.2
105.07012	10.8
107.04941	4.8
107.08585	23.8
109.02138	0.6
109.02877	10.3
109.06511	3.0
109.10146	6.2
111.04410	1.2
115.05438	2.4
117.07012	2.9
119.06014	0.8
119.08559	3.7
121.06525	2.4
121.10133	12.4
121.10925	1.0
122.07274	6.6
123.07983	1.1
123.80649	0.5
127.03909	34.2
128.04283	0.7
129.06989	0.8
129.75664	0.6
131.08531	2.8
133.10121	100.0
134.10454	2.0
135.07094	1.1
135.08034	9.8
135.11682	1.6
135.83891	0.5
137.06027	1.1
137.09608	57.5
138.09999	1.1
143.08554	1.1
145.10097	1.5
147.11671	2.7
149.09592	6.3
149.13252	8.3
153.05542	0.7
154.18727	0.5
157.10074	0.6
158.10898	2.3
159.08051	0.8
159.11745	0.9
161.05914	0.9
161.13257	0.9
163.14810	1.4
167.07057	1.9
169.04918	0.5
171.02834	0.8
173.09575	0.7
173.13261	7.8
175.07564	0.5
175.11334	0.7
185.13181	0.7
189.12741	0.9
191.14294	48.0
192.14635	1.4
199.11041	1.1
201.12785	0.8
213.03972	9.0
219.06578	0.6
252.08438	1.0
270.09610	1.3
280.08157	1.0
281.15286	0.8
298.09012	1.3
299.16373	1.1
317.17532	2.8
318.80603	0.5
346.03738	0.6
385.11978	1.4
403.13373	1.7
403.17416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	21.1
55.05507	79.5
56.96560	22.4
67.05502	72.2
69.07058	89.3
71.57970	20.1
77.44050	19.5
79.05486	79.9
81.07057	100.0
83.08611	42.0
84.54307	18.4
91.05492	43.8
93.07043	65.9
95.08595	56.0
97.06528	25.2
97.10165	57.8
105.07027	54.7
107.04995	24.9
107.08604	72.2
108.91873	21.5
109.06560	28.0
117.07037	22.8
119.08582	34.9
121.10144	45.1
125.09596	27.0
131.08603	28.7
132.80629	24.0
133.10149	29.4
145.10101	33.9
159.11633	24.8
183.11592	21.5
227.12735	32.1
269.17502	27.4
272.01025	20.8
275.20166	45.9
286.20029	56.4
349.23938	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
55.05499	22.7
57.03411	10.2
57.06828	7.5
57.07076	100.0
58.06608	6.6
65.80000	5.9
67.05498	35.1
69.03416	21.3
69.07066	28.1
69.29174	9.9
69.29581	61.4
70.06569	7.2
71.04967	6.9
71.08631	58.8
79.05472	6.0
81.03394	22.6
81.07063	44.8
83.08616	31.8
85.02898	9.1
85.10196	28.6
88.07640	6.2
91.05473	10.3
95.08601	55.9
97.02889	76.5
97.10162	8.5
99.04451	23.3
105.06985	7.0
107.04968	8.7
107.08585	7.6
109.02897	10.3
109.10165	32.8
123.11684	13.2
127.03889	27.1
133.10133	7.7
137.13243	6.7
190.96106	7.3
239.23694	67.2
338.49704	6.6
339.34830	9.4
401.38306	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98420	0.6
53.03927	1.0
55.93491	0.5
56.05011	0.6
56.96563	3.2
57.03400	2.5
59.04957	0.7
61.02893	2.3
64.30315	0.5
65.18352	0.6
68.04994	0.7
69.03429	8.3
70.06583	3.4
70.43089	1.2
70.43486	1.1
71.01323	0.7
71.04970	1.1
72.08138	1.0
73.02912	3.7
79.05418	0.7
81.03383	2.6
84.08093	1.1
85.02899	11.8
86.09638	2.1
87.04424	2.5
91.03924	0.9
97.02887	6.9
98.03149	0.7
98.06007	0.8
98.21517	0.8
98.97540	2.6
99.04456	1.3
107.04946	8.0
108.08109	0.7
109.02825	1.8
110.97522	1.0
115.08662	0.6
116.07042	1.0
116.98573	2.6
119.01898	0.9
119.03505	0.9
121.06462	1.4
122.05978	2.0
123.04411	1.0
123.06738	1.2
127.03854	2.4
128.98541	0.8
134.07193	0.7
134.08116	7.7
134.99570	1.9
136.06177	48.7
138.05435	2.1
145.04875	1.6
146.99541	1.1
148.06104	0.8
148.07448	0.7
149.01204	1.0
152.06961	1.0
154.08574	1.0
161.01169	0.8
161.02962	1.0
162.09082	1.6
163.03857	2.5
173.02814	0.6
176.09225	0.8
176.10614	2.4
177.00656	1.8
178.07211	3.2
178.12184	1.1
180.10222	2.9
192.08775	0.8
194.11682	1.1
204.08656	2.4
204.10150	2.5
219.01637	1.4
222.09477	4.6
222.11339	2.0
228.05643	1.3
228.55676	0.9
237.02617	1.8
240.10779	100.0
241.11012	0.8
282.11816	1.2
296.13248	2.2
317.08963	1.3
385.21738	0.9
402.16312	19.5
402.24496	2.7
403.07892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.05516	21.3
57.03415	4.6
57.07074	100.0
61.02916	3.3
61.10556	3.0
67.05501	40.2
69.03426	35.3
69.07060	18.3
70.06573	3.5
71.04990	8.3
71.08629	79.8
71.58230	5.4
79.05488	4.5
81.03410	55.0
81.07053	49.2
83.08629	25.6
85.02908	55.6
85.10182	40.4
91.05464	4.0
93.07040	7.9
95.08609	78.4
97.02894	23.0
97.10162	20.8
99.04453	10.5
105.07049	5.1
107.08566	4.1
109.02860	21.4
109.06473	5.1
109.10143	32.4
111.11710	4.8
121.10123	4.5
121.98369	3.2
123.11709	13.9
127.03912	18.8
131.08562	4.1
132.10162	4.1
133.10072	4.7
134.50391	3.4
137.13239	10.1
142.80530	4.1
145.04921	4.7
147.11351	3.7
174.74657	3.8
239.23732	45.0
242.59143	3.5
282.27930	54.5
293.92151	3.3
322.21362	4.0
383.28033	5.4
401.28494	10.3
401.38220	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	22.0
57.41683	10.4
67.05498	32.5
67.19202	10.4
69.07063	24.5
70.65314	20.7
79.05516	26.4
81.07058	53.1
83.08623	15.1
91.04963	9.3
91.05458	59.8
93.07038	53.7
95.04946	18.1
95.08602	37.6
105.07014	95.4
107.08594	48.2
109.06502	56.5
109.10160	23.4
117.06998	33.9
119.08572	100.0
121.10139	36.2
123.07995	12.0
128.06223	12.2
129.07025	17.7
131.08563	53.9
133.10126	87.6
135.08041	29.7
135.11664	25.2
137.09628	13.2
141.07034	11.8
142.07761	37.1
143.08537	49.4
145.10106	92.9
147.07947	12.4
147.11708	28.6
153.06993	12.9
155.08514	16.0
156.09256	20.7
157.10138	50.1
158.10851	11.3
159.11688	44.5
159.44337	10.5
165.06969	12.0
169.10150	34.9
171.11658	35.8
173.13234	50.9
175.14766	19.5
179.08545	17.3
181.10147	14.2
183.11693	21.7
185.13272	17.5
187.14777	45.9
195.11703	27.4
197.13281	13.5
199.14873	17.5
207.11629	13.0
209.13245	33.5
221.13239	27.4
223.14818	11.7
226.00052	12.7
251.17923	13.9
401.28003	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.8
55.01865	14.5
55.05499	15.6
57.03421	13.9
57.07059	8.4
57.23250	4.8
61.02923	13.7
67.05505	27.9
68.99783	11.1
69.03433	54.0
69.07071	46.6
69.73079	30.4
69.73500	10.5
71.01347	6.1
71.05006	29.0
73.02908	6.0
77.29665	4.7
79.05489	38.7
81.03432	38.4
81.07062	57.3
83.04979	9.0
83.08618	20.5
84.04524	6.5
85.02911	67.0
85.39939	5.3
86.09700	7.1
87.00825	17.6
91.05482	45.1
93.07043	52.1
95.04969	29.3
95.08610	41.9
97.02884	26.8
97.06548	13.5
103.03943	7.1
105.01849	17.6
105.07023	50.4
107.04954	41.6
107.08594	50.7
109.02863	25.4
109.06517	49.2
109.10142	41.8
111.04411	7.5
111.08112	11.6
111.90626	4.6
115.03974	6.5
115.05442	9.0
116.06206	6.3
117.07011	16.5
117.89371	5.6
118.77380	5.4
119.04886	6.3
119.08595	70.8
121.06493	24.2
121.10125	27.3
123.04429	15.4
123.08062	16.1
123.11684	21.7
124.05230	6.8
125.09644	7.7
125.13263	9.8
127.03922	22.5
128.06245	9.3
129.01814	12.3
129.07028	14.5
131.08585	31.4
133.06487	13.2
133.10107	25.4
134.15469	5.4
134.99371	4.8
135.04431	8.2
135.08060	15.4
135.11687	19.1
137.05983	14.6
137.09608	25.4
139.07515	7.7
139.11040	5.4
142.07808	6.5
143.08569	14.1
144.05687	5.9
145.06490	14.3
145.10104	29.3
147.08098	13.4
147.11690	14.5
149.09625	12.2
149.13225	8.5
151.11168	18.7
153.01810	6.9
153.07045	9.1
153.09145	5.5
153.12764	18.8
155.08537	10.5
156.05740	7.6
157.06439	12.1
157.10141	7.1
159.07988	26.8
159.11684	14.6
161.05972	6.4
161.09645	7.4
161.13277	5.8
163.03944	9.8
163.07578	9.0
163.11201	15.4
165.09155	8.1
165.12791	10.1
167.07056	100.0
167.08472	10.7
171.07932	8.1
171.11607	9.3
173.09618	30.3
173.13202	11.4
175.07587	11.7
175.11276	8.9
177.12813	8.8
181.04974	11.6
183.08018	8.0
187.07573	17.2
189.12767	7.9
191.07054	10.2
191.10655	12.5
193.08733	6.5
201.03918	6.8
205.08624	20.2
208.05164	13.2
210.06992	6.2
217.08621	24.0
219.08112	9.7
219.13806	9.6
220.08766	6.7
221.06024	8.3
236.04675	7.6
239.06882	5.6
243.13828	22.1
246.32858	6.0
247.07648	10.2
247.09680	19.8
248.08304	15.1
261.14804	15.8
263.10693	10.3
269.07993	13.3
279.10315	11.9
280.13626	9.9
282.08826	18.3
291.10178	12.3
293.08176	9.7
299.09268	5.9
301.06888	7.1
307.09540	13.5
310.08069	7.7
315.08466	36.6
319.09845	7.4
323.12735	13.4
330.10873	50.0
331.11609	11.0
337.10837	6.9
343.11765	13.2
351.12283	24.7
353.10150	8.6
355.12009	6.6
368.12640	10.7
383.14810	51.7
401.16751	32.5
401.27130	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.8
55.01865	14.5
55.05499	15.6
57.03421	13.9
57.07059	8.4
57.23250	4.8
61.02923	13.7
67.05505	27.9
68.99783	11.1
69.03433	54.0
69.07071	46.6
69.73079	30.4
69.73500	10.5
71.01347	6.1
71.05006	29.0
73.02908	6.0
77.29665	4.7
79.05489	38.7
81.03432	38.4
81.07062	57.3
83.04979	9.0
83.08618	20.5
84.04524	6.5
85.02911	67.0
85.39939	5.3
86.09700	7.1
87.00825	17.6
91.05482	45.1
93.07043	52.1
95.04969	29.3
95.08610	41.9
97.02884	26.8
97.06548	13.5
103.03943	7.1
105.01849	17.6
105.07023	50.4
107.04954	41.6
107.08594	50.7
109.02863	25.4
109.06517	49.2
109.10142	41.8
111.04411	7.5
111.08112	11.6
111.90626	4.6
115.03974	6.5
115.05442	9.0
116.06206	6.3
117.07011	16.5
117.89371	5.6
118.77380	5.4
119.04886	6.3
119.08595	70.8
121.06493	24.2
121.10125	27.3
123.04429	15.4
123.08062	16.1
123.11684	21.7
124.05230	6.8
125.09644	7.7
125.13263	9.8
127.03922	22.5
128.06245	9.3
129.01814	12.3
129.07028	14.5
131.08585	31.4
133.06487	13.2
133.10107	25.4
134.15469	5.4
134.99371	4.8
135.04431	8.2
135.08060	15.4
135.11687	19.1
137.05983	14.6
137.09608	25.4
139.07515	7.7
139.11040	5.4
142.07808	6.5
143.08569	14.1
144.05687	5.9
145.06490	14.3
145.10104	29.3
147.08098	13.4
147.11690	14.5
149.09625	12.2
149.13225	8.5
151.11168	18.7
153.01810	6.9
153.07045	9.1
153.09145	5.5
153.12764	18.8
155.08537	10.5
156.05740	7.6
157.06439	12.1
157.10141	7.1
159.07988	26.8
159.11684	14.6
161.05972	6.4
161.09645	7.4
161.13277	5.8
163.03944	9.8
163.07578	9.0
163.11201	15.4
165.09155	8.1
165.12791	10.1
167.07056	100.0
167.08472	10.7
171.07932	8.1
171.11607	9.3
173.09618	30.3
173.13202	11.4
175.07587	11.7
175.11276	8.9
177.12813	8.8
181.04974	11.6
183.08018	8.0
187.07573	17.2
189.12767	7.9
191.07054	10.2
191.10655	12.5
193.08733	6.5
201.03918	6.8
205.08624	20.2
208.05164	13.2
210.06992	6.2
217.08621	24.0
219.08112	9.7
219.13806	9.6
220.08766	6.7
221.06024	8.3
236.04675	7.6
239.06882	5.6
243.13828	22.1
246.32858	6.0
247.07648	10.2
247.09680	19.8
248.08304	15.1
261.14804	15.8
263.10693	10.3
269.07993	13.3
279.10315	11.9
280.13626	9.9
282.08826	18.3
291.10178	12.3
293.08176	9.7
299.09268	5.9
301.06888	7.1
307.09540	13.5
310.08069	7.7
315.08466	36.6
319.09845	7.4
323.12735	13.4
330.10873	50.0
331.11609	11.0
337.10837	6.9
343.11765	13.2
351.12283	24.7
353.10150	8.6
355.12009	6.6
368.12640	10.7
383.14810	51.7
401.16751	32.5
401.27130	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01854	2.3
55.05488	1.5
65.03924	2.1
67.05473	2.4
68.99785	2.3
69.03429	4.2
70.06594	2.7
71.05003	1.8
71.58083	2.4
72.08160	3.6
73.02239	1.4
79.05499	15.2
81.03419	3.3
81.07044	5.2
81.35361	1.3
84.08147	2.3
85.02885	7.0
86.09693	5.4
91.05472	9.8
93.07042	3.4
95.04952	6.1
95.08592	3.9
97.02881	5.3
103.05468	1.7
105.01892	2.3
105.07018	3.2
107.04944	29.4
109.02882	3.1
109.06493	1.5
115.05443	4.8
116.06290	2.6
117.07010	4.2
119.08572	2.2
121.06504	2.0
121.10128	3.0
121.31796	1.5
123.04420	5.5
123.08028	1.9
124.05183	4.9
125.05972	5.6
127.03941	3.6
128.06200	1.5
129.06989	7.4
131.04930	2.4
131.08569	10.0
132.05739	1.4
133.06462	1.7
135.11726	2.1
137.05971	2.6
137.57285	1.4
141.06966	4.7
144.05682	6.9
144.51195	1.7
145.06467	6.0
147.04364	2.7
149.05865	1.9
151.03923	3.2
152.04672	2.3
153.01826	23.6
153.05449	2.4
156.05685	14.6
157.06482	3.2
158.07227	2.3
159.08061	15.4
161.06004	4.4
162.18390	1.6
163.03874	3.7
163.07434	1.8
163.11217	1.7
165.06943	1.9
167.07037	100.0
168.07584	1.4
169.06467	3.8
170.07195	2.7
172.05161	2.2
173.05962	5.6
175.07489	1.8
176.04655	1.8
177.05528	1.9
178.07878	1.5
179.07028	2.6
181.04895	3.5
181.08589	2.5
184.05203	3.7
186.06841	4.4
187.07539	12.2
190.07782	2.7
191.07043	3.6
191.08640	2.7
193.06587	2.7
193.08513	3.3
195.06471	2.6
201.09033	2.1
202.06247	5.7
202.07898	3.1
203.08572	2.7
205.06683	2.6
205.08598	14.2
205.10037	1.7
207.06480	5.5
208.05200	15.9
208.08783	2.5
210.06758	2.4
214.06134	1.9
215.06894	2.1
217.08585	31.6
218.07277	6.1
219.08034	14.1
219.10188	6.9
220.08806	6.0
221.06076	9.4
221.09663	2.0
222.06493	1.9
223.07439	2.1
225.05389	1.7
229.08534	2.5
231.07986	8.0
231.10054	1.8
232.08940	2.0
233.05899	2.2
233.09592	3.4
234.06848	3.2
235.07506	5.3
236.04744	8.3
236.08331	4.7
238.06204	1.9
239.07053	4.0
239.19209	1.8
240.04288	2.9
245.09526	3.3
247.07472	12.0
247.09665	20.7
248.08301	12.4
249.05461	3.9
249.09091	5.3
251.06938	1.8
251.10655	3.7
254.05664	5.9
255.06534	2.8
259.07410	3.4
260.08267	2.6
261.05548	2.1
261.09103	4.0
262.09857	3.8
263.06952	4.8
263.10547	9.3
264.07800	7.5
265.08548	5.6
266.05765	3.1
267.06540	8.1
268.03653	1.9
269.08063	20.6
271.06116	2.1
271.09625	7.6
272.06628	2.9
274.06317	2.1
275.06989	6.2
276.07874	8.6
277.08527	5.6
278.05759	2.5
279.07065	1.4
279.10059	8.9
280.10809	1.8
281.08163	2.4
282.05533	2.8
282.08780	17.6
284.06808	2.1
285.07605	1.6
287.09247	2.5
290.09375	6.1
291.10153	15.7
292.07245	4.6
292.10471	2.9
293.08084	11.1
294.08795	2.0
295.09607	1.7
299.09204	4.5
301.07108	2.9
304.07281	2.5
305.08063	3.5
307.09668	10.3
308.10339	5.8
309.07590	1.9
310.08374	9.0
311.12827	2.5
315.08609	62.8
316.09018	3.4
318.08591	2.3
319.09543	8.3
320.10352	2.1
321.07608	2.5
321.11032	2.6
322.08447	2.8
322.12051	3.2
323.12808	19.2
324.09805	3.2
325.10468	2.3
327.08752	2.3
328.09381	6.9
330.10968	64.7
330.14883	3.3
331.11819	11.3
336.09869	5.7
337.10556	6.9
339.12222	10.0
343.11786	22.7
351.12341	29.1
352.12936	5.2
353.10223	6.6
356.12488	2.6
357.15012	2.9
368.12454	8.5
369.13184	3.6
371.15015	4.1
383.14886	59.1
384.15198	2.8
395.15424	1.9
401.15988	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
58.82859	1.5
67.05501	2.3
69.03430	2.6
69.49812	2.8
69.50210	12.6
71.04987	2.7
78.04705	2.0
79.05478	15.6
81.07060	4.7
91.05488	7.7
93.07030	3.0
95.04958	6.9
95.08589	1.9
98.20824	3.0
103.05503	2.4
105.07007	3.4
107.04951	32.0
107.05622	2.4
107.08566	1.8
109.06478	3.7
115.05461	4.3
115.74991	1.5
116.06219	2.1
117.07018	4.7
119.08583	2.4
121.06503	2.6
123.04408	4.0
124.05216	4.9
125.05994	4.4
128.06201	3.7
129.06998	6.4
131.08560	10.6
133.06471	2.4
135.04390	2.1
135.11758	2.2
137.05998	2.0
140.61189	1.7
141.06998	5.4
144.05684	8.8
145.06494	6.8
147.04396	1.5
149.05882	1.9
152.04724	4.1
153.05392	2.1
156.05690	14.6
157.06462	3.8
158.07309	2.5
159.08041	17.3
161.05998	3.0
163.03886	4.0
167.07034	100.0
169.06435	3.0
170.07262	1.7
173.05962	2.2
175.07434	2.4
177.05533	2.4
178.07974	1.8
179.07030	2.3
181.04973	4.0
186.06767	3.9
187.07558	11.2
189.05464	1.8
190.06245	3.4
190.07851	1.6
191.07025	4.0
191.08617	2.5
193.06548	2.5
193.08510	2.0
202.06250	6.1
202.07878	3.1
203.08548	3.8
204.07758	1.8
205.06686	2.9
205.08614	14.5
205.10194	2.1
206.07347	1.6
207.06485	8.4
207.10197	2.8
208.05196	16.2
208.08806	2.2
209.08055	1.9
209.13448	2.1
210.06760	2.7
211.07550	3.2
214.06105	1.5
217.08557	33.4
218.07240	6.0
219.08057	11.5
219.10236	6.8
220.08781	5.6
221.06100	7.3
224.04765	2.2
229.08615	7.2
230.07326	2.3
231.08038	7.9
231.10136	3.7
232.09106	2.8
233.09668	6.0
234.06734	2.5
235.07587	4.5
235.11308	1.9
236.04678	5.0
236.08328	5.0
239.07030	4.0
240.04143	2.9
245.09636	5.2
246.06842	2.1
247.07494	13.2
247.09708	19.5
248.08282	12.2
249.05408	2.1
249.09105	4.3
250.06160	2.0
251.07401	1.5
251.10794	1.8
254.05759	5.5
256.07211	2.9
257.04382	2.0
258.06812	1.9
259.07553	4.5
260.08502	1.9
261.09161	4.6
262.06366	1.5
262.09848	3.0
263.07031	5.6
263.10666	11.9
264.07840	6.6
265.08594	6.6
266.05753	3.7
267.06552	7.0
268.03342	2.0
269.08038	16.1
271.09680	11.0
272.06793	3.8
274.06229	1.6
275.06927	8.2
276.07721	8.5
277.08630	5.8
278.09717	1.9
279.07037	1.5
279.10040	8.0
281.08032	2.9
282.05777	1.8
282.08798	14.8
284.06778	1.9
287.09161	1.9
289.08395	1.8
290.09332	3.0
291.10074	16.5
292.07309	3.5
292.10724	2.3
293.08109	9.9
295.06137	1.5
296.10355	2.1
299.09131	4.7
300.06296	2.4
301.06982	4.6
305.08136	5.3
305.11429	1.9
306.08734	1.8
307.09488	11.6
308.10403	6.6
309.07657	1.8
309.11041	2.0
310.08313	6.9
311.12738	3.6
315.08603	51.8
316.09225	3.2
319.09671	8.9
320.10483	1.6
321.07614	4.3
321.11090	2.2
322.08432	2.2
323.09195	2.6
323.12576	11.6
325.10648	2.3
328.09421	4.6
330.10956	53.8
331.11823	10.9
336.09985	5.6
337.10632	7.2
339.12155	8.1
341.13446	1.7
343.11710	19.6
350.11484	1.5
351.12228	22.5
352.13123	2.6
353.10086	9.2
356.12579	3.2
368.12384	12.5
369.13492	3.0
371.15030	3.5
383.14853	53.7
401.15894	17.7
413.84695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28479	0.7
56.05033	1.6
57.07080	3.6
62.11067	0.7
69.07036	0.6
71.58836	0.9
71.99107	1.0
72.04514	73.4
72.99883	3.9
87.04478	0.8
88.02213	100.0
100.17441	0.7
105.07005	1.2
119.08603	0.9
163.11188	2.6
179.08894	3.2
182.06444	2.8
222.13123	1.8
238.12639	7.6
250.12605	12.9
288.10492	1.8
311.29816	0.7
338.34256	0.7
344.16782	9.4
400.22858	4.9
400.31738	1.5
400.37930	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74026	2.3
56.00160	2.6
56.96566	17.7
70.75066	4.6
70.75399	4.9
76.12824	2.5
81.48715	2.7
98.97585	66.6
98.98200	5.5
116.98618	92.8
116.99459	4.9
134.99658	86.6
135.00662	5.0
146.09814	2.3
153.00697	18.7
153.78009	2.6
158.01257	5.7
190.95441	6.6
192.98662	3.5
208.96391	3.5
219.02086	8.3
220.24904	3.0
232.96574	8.3
234.96596	3.1
234.99779	6.4
236.99799	3.5
240.98828	3.5
250.97549	5.6
252.97523	4.8
256.96442	17.6
258.97205	4.4
258.99814	24.6
259.99963	4.3
260.99796	7.9
261.03061	6.0
262.00061	2.7
262.03098	3.7
263.03021	3.3
268.88974	3.2
274.97516	100.0
275.97879	10.7
276.97601	22.5
277.00897	52.6
277.98212	3.0
278.01215	5.9
279.00848	18.1
280.00781	4.5
283.00003	10.3
284.99866	8.6
292.98563	85.4
293.98871	8.5
294.98538	15.1
297.99139	5.7
300.02649	3.3
300.97546	12.4
301.01056	20.3
302.01270	6.2
303.00833	34.0
304.01083	7.2
316.00378	3.8
316.98883	4.6
317.99078	7.8
318.98550	34.7
319.98776	2.9
359.01648	7.8
375.99667	3.0
376.98904	21.6
401.01080	9.1
418.98865	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.9
58.60581	2.0
69.38189	19.3
79.05479	11.6
81.07062	2.1
81.65394	2.3
84.07456	1.8
84.79420	2.0
91.05481	5.9
95.04973	3.9
107.04948	30.4
115.05444	3.7
121.06597	2.9
123.04427	3.6
124.05206	6.4
129.07021	6.0
131.08549	9.4
141.06981	5.0
144.05693	6.3
145.06476	5.7
145.17268	2.3
152.04651	3.7
156.05696	10.0
159.08078	16.9
161.05899	4.2
163.03893	2.9
167.07031	100.0
173.05995	4.3
174.21602	2.9
179.07033	2.3
181.08635	3.4
186.06734	3.6
187.07573	9.2
190.06276	3.6
191.08554	2.7
195.06442	3.2
202.06236	7.1
203.06822	2.7
203.08586	2.5
205.08554	16.9
207.06523	4.2
208.05176	12.7
210.06781	2.5
211.07408	2.6
215.08553	2.6
217.08589	30.1
218.07198	3.1
218.09122	2.8
219.08066	8.9
219.10251	6.3
220.08678	4.9
221.05962	6.5
229.08643	5.6
231.08110	6.6
232.08824	4.2
233.09744	3.6
235.07556	3.9
236.04675	5.4
236.08356	2.5
238.06128	2.9
239.07243	3.0
241.92990	2.3
243.08029	3.2
247.07494	11.5
247.09697	25.2
248.08278	12.7
249.05641	2.8
249.09030	4.6
254.05724	4.8
255.06487	3.1
259.07565	4.9
261.09204	4.8
262.10071	3.3
263.07605	2.5
263.10626	13.4
264.07849	7.3
265.08517	5.6
267.06567	8.2
269.08044	16.9
270.08337	4.2
271.06232	2.4
271.09641	10.6
275.07047	8.8
276.07886	9.0
277.08691	5.9
279.10211	6.0
282.08896	11.7
289.09235	2.6
290.09531	5.1
291.06903	3.7
291.10056	16.9
293.08054	7.4
297.07401	2.7
299.09088	4.5
301.06927	3.3
307.09485	12.4
308.10522	6.0
310.08466	8.4
310.11896	2.4
315.08640	58.1
316.09232	3.9
319.09601	6.8
321.07449	5.4
321.11349	3.4
323.09354	2.9
323.12573	13.9
328.09387	6.0
330.10947	59.4
331.11682	11.2
336.09827	4.0
337.10681	5.5
339.12363	10.7
343.11719	19.7
351.12308	23.5
352.13138	6.1
353.10306	3.8
356.12567	4.0
368.12753	11.3
371.14590	4.1
383.10202	4.4
383.14902	58.4
384.15463	3.4
401.15991	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01854	1.2
55.05507	5.6
56.05008	1.0
56.96566	0.8
57.03428	2.7
59.04997	4.5
60.04522	1.0
61.02918	2.7
65.03951	0.9
67.05485	2.1
68.45511	0.7
69.03428	10.8
70.06599	4.3
70.27650	0.7
70.53426	0.8
71.04985	2.4
71.07386	1.1
71.08610	0.7
71.57606	1.1
72.08143	3.0
73.02922	1.4
73.06560	4.0
79.05489	2.5
81.03436	4.7
83.04971	2.5
84.04496	2.0
84.08174	1.8
85.02908	19.0
86.09701	1.8
87.00836	0.9
87.04461	2.1
89.03906	2.2
91.05484	4.0
93.07053	1.2
95.04957	1.6
95.06095	4.5
97.02896	7.8
98.97582	1.2
99.04418	1.4
103.05452	6.2
105.07044	6.3
107.04951	4.8
107.08586	0.7
109.02883	3.5
110.06046	0.7
111.04447	4.4
116.98606	0.8
117.03362	1.8
117.07040	9.0
117.09106	1.6
118.06521	0.7
118.07290	0.8
120.08108	39.7
121.06514	1.5
123.04429	7.0
123.61201	0.7
127.03917	5.2
129.05508	1.6
129.06998	1.8
131.04906	6.1
131.08571	0.7
134.06018	1.7
135.04431	6.0
135.10173	3.0
136.07527	1.4
137.05966	2.0
138.05499	3.3
139.03893	3.2
142.07797	1.6
145.02837	2.6
145.04968	2.7
145.06480	11.7
147.04381	1.8
147.06705	1.1
149.05991	4.7
152.01630	0.9
152.07085	1.3
152.10634	3.6
156.52979	0.8
157.10104	1.1
160.93745	0.7
161.09616	0.8
163.03905	26.1
163.07516	8.7
163.38493	0.7
164.04253	2.3
165.05498	2.1
166.08658	5.3
167.03419	1.4
167.07076	3.8
173.06047	0.9
174.12784	46.0
177.05424	1.0
179.03342	1.3
180.06299	0.9
181.04944	2.9
191.03433	1.3
191.07036	9.2
192.13831	35.3
206.08072	1.5
207.08537	1.1
208.06059	3.8
208.09692	3.4
209.04480	1.3
209.08081	11.2
210.08466	0.8
220.06088	0.8
220.09924	1.2
220.13319	16.2
238.14383	100.0
239.14722	2.6
279.17206	1.0
297.18045	1.5
315.10690	1.6
330.10867	1.1
356.25247	1.4
357.11511	4.3
358.04382	1.1
400.15417	5.4
400.20261	4.6
401.10294	9.5
401.13895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.5
57.07055	11.4
67.05477	13.2
69.03415	3.2
69.07061	14.9
71.08617	9.8
71.58988	4.5
77.09631	2.7
79.05470	4.9
81.07044	25.5
83.08611	13.8
91.05498	5.4
93.06999	6.2
95.08610	22.7
97.10165	10.7
109.06478	7.2
109.10143	13.7
111.11713	3.8
112.52866	2.9
116.99361	2.5
121.06484	6.5
121.10118	6.7
123.11671	9.2
133.10150	3.2
135.08041	6.6
135.11676	4.6
137.05971	100.0
137.13239	3.4
149.09547	3.7
151.07507	13.5
154.71001	2.7
157.10088	3.2
160.32220	3.0
161.06041	3.4
161.09596	3.9
163.07523	39.8
165.59363	2.7
171.08144	3.3
175.07559	16.2
177.09105	25.2
177.73651	3.1
181.37810	2.8
189.09146	19.0
191.10683	11.2
191.18034	3.0
203.10614	11.9
217.12094	4.8
241.03976	3.6
360.98880	3.0
399.22873	4.3
399.30911	62.0
400.31583	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03434	1.3
69.03424	1.9
70.06590	0.2
70.63820	0.7
73.02908	0.6
81.03381	0.2
85.02914	1.6
87.04446	0.2
94.04035	0.4
97.02911	0.5
113.02323	0.3
115.03958	0.4
119.03535	1.2
128.05763	0.2
133.04991	0.8
134.09589	0.3
136.06181	100.0
137.04633	1.3
137.06604	1.1
145.05019	0.2
152.10632	0.2
181.05022	0.2
193.95149	0.2
210.07594	0.2
238.07123	0.7
262.86954	0.2
268.10416	4.5
400.14856	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05508	18.2
55.31500	2.3
57.07074	6.1
67.05502	56.1
69.07056	19.9
70.71209	6.1
70.71547	2.5
71.04991	3.6
71.23522	2.3
79.05494	29.6
81.07054	49.8
83.08618	9.0
84.68232	2.6
87.60475	2.2
91.05466	34.4
93.07039	37.5
95.08604	51.6
97.10154	5.7
105.07024	31.8
107.08580	27.0
109.06509	2.5
109.10146	29.2
115.05467	2.6
117.07008	33.2
119.08578	34.1
119.09361	3.1
121.10136	19.3
122.53094	2.3
123.08092	2.4
123.11701	10.5
125.09643	2.9
127.18144	2.6
129.07016	11.5
131.08563	45.5
133.10120	27.5
135.11688	16.4
141.07021	2.6
143.08563	10.8
145.10115	27.9
147.11688	19.1
149.13261	11.4
157.10139	10.2
159.11674	32.4
161.13240	12.5
163.14804	7.6
169.10153	3.0
171.11725	4.7
173.13240	24.1
175.14880	7.6
177.16379	3.4
183.11714	3.4
185.13290	5.9
187.14819	14.7
189.16420	4.6
194.23569	2.3
199.14795	4.8
201.16458	11.1
203.17911	3.1
213.16431	6.6
215.18010	7.8
229.19489	4.5
243.21220	4.4
257.22687	3.9
277.21539	4.3
289.21686	4.5
291.23294	6.8
297.22351	3.2
303.23148	4.8
315.23248	4.9
317.24634	3.3
323.36847	3.1
329.24768	8.5
333.97073	2.6
363.21622	4.4
381.31653	4.5
399.32599	100.0
399.37784	5.2
400.32880	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01869	3.9
55.05511	70.5
57.07076	40.0
67.05502	16.5
69.03427	12.3
69.07066	91.2
71.08637	24.3
71.58878	3.6
73.76069	2.9
76.49299	2.5
76.57505	2.5
79.05494	9.2
80.76332	2.4
81.03403	9.9
81.07056	27.1
83.04986	3.6
83.08615	82.7
84.34941	2.4
85.02903	100.0
85.10172	11.7
86.60932	2.6
88.07616	3.3
90.96513	3.2
91.05478	7.5
93.07037	11.7
95.05000	4.9
95.08595	17.7
97.02876	23.1
97.06506	4.3
97.10168	80.4
99.04449	8.7
101.02371	3.5
105.07019	5.9
107.08587	12.7
109.02863	6.7
109.06500	3.5
109.10147	9.7
111.11719	30.6
117.07072	3.1
119.08575	6.2
121.10139	16.1
125.13277	17.3
127.03955	15.9
131.08597	5.7
133.10144	4.5
134.87492	2.7
135.08040	3.5
135.11699	10.2
139.14854	3.7
142.69450	2.8
145.04959	10.0
145.10124	5.9
149.13249	4.7
150.20865	2.5
171.11732	2.8
214.25851	2.6
219.21100	6.7
237.22079	18.9
271.24170	2.8
337.04889	3.2
369.61707	3.3
399.24655	3.9
399.36737	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01863	13.5
55.05503	24.8
57.03438	9.3
59.48217	5.2
61.02929	6.2
67.05499	37.6
69.03429	25.6
69.07066	12.9
70.06594	33.1
71.04988	22.8
71.08636	7.6
71.57431	9.3
73.17290	5.9
74.48447	5.0
79.05488	32.8
81.03403	16.2
81.07048	100.0
83.04950	8.2
85.02901	65.1
85.06525	7.0
86.09703	18.3
91.05481	24.1
93.07058	43.8
95.04956	11.7
95.08599	33.2
97.02890	19.6
97.06561	14.6
99.04422	9.3
99.08091	26.2
100.11229	5.4
105.07034	51.9
107.04978	6.3
107.08578	35.0
109.02851	13.5
109.06531	16.4
109.10156	41.4
111.04456	5.4
117.06995	7.3
119.08576	36.0
121.06462	8.4
121.10162	37.2
123.08121	7.8
123.11683	15.0
125.09630	15.6
127.03924	25.3
127.07591	29.3
127.11213	15.9
131.08585	18.1
133.10135	76.1
135.11693	18.9
137.09584	20.1
145.04971	12.3
145.10112	24.9
147.11713	25.6
149.09650	8.4
149.13289	9.7
151.11169	26.7
159.11705	23.4
161.13229	9.2
163.11139	9.6
167.07028	8.5
169.09897	6.5
169.12285	10.7
171.11575	7.3
173.13277	7.2
175.11008	5.4
181.05009	11.2
201.16388	22.1
219.17427	26.9
229.15466	11.2
237.18457	10.2
239.01924	6.4
306.51126	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.53970	0.7
55.01865	1.2
56.96563	0.9
57.03433	6.8
58.62883	0.6
61.02913	2.9
69.03426	11.5
70.06585	2.3
71.04990	1.5
71.56390	0.8
73.02895	1.8
75.04461	0.9
79.05480	1.2
80.59988	0.6
81.03417	5.7
81.07052	0.8
83.70320	0.6
84.08122	0.6
85.02904	22.6
86.09693	1.2
87.04444	1.4
91.03917	0.9
91.05479	1.6
92.77256	0.7
93.07037	1.0
95.04939	1.7
95.15788	0.5
97.02888	8.0
97.56249	0.6
99.04446	2.7
102.04665	1.0
103.03957	2.9
103.05463	49.2
104.05766	1.0
105.07027	1.4
107.04945	0.9
109.02897	3.7
109.06518	0.8
110.67842	0.6
115.03855	0.9
115.05445	1.4
117.05489	0.9
117.06995	1.2
121.10120	0.9
127.03923	6.4
127.04733	1.2
130.04164	1.8
131.04922	100.0
132.05219	1.0
133.06488	1.0
145.04982	3.1
145.06453	1.0
147.04347	0.6
148.05171	10.7
152.10754	1.1
159.06526	0.8
159.07893	0.8
161.05959	3.6
162.06706	1.0
163.07533	46.9
181.08566	0.8
189.09116	0.9
190.53239	0.7
201.07513	0.7
201.09143	2.3
219.10300	0.9
237.11237	0.8
288.38654	0.6
366.23096	0.7
399.16315	3.1
399.24634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
53.08783	3.6
55.01877	6.9
55.05518	22.8
57.03424	8.6
57.07086	7.4
61.02914	7.5
66.49585	3.8
67.05505	26.9
69.03429	42.5
69.07066	15.4
70.06582	23.5
71.04987	20.4
71.08651	4.1
77.77119	3.5
79.05494	21.5
81.03417	25.9
81.07058	43.6
83.04968	12.3
83.08624	4.4
85.02430	5.6
85.02906	65.3
85.06558	6.9
86.09704	14.3
91.05497	23.2
93.07044	45.7
95.04968	18.0
95.08601	33.9
97.02893	21.0
97.06518	10.3
99.04439	11.1
105.07032	51.1
106.07428	4.4
106.83185	3.8
107.04959	12.3
107.08602	43.2
109.02865	12.5
109.06522	12.0
109.10191	29.6
110.07030	3.8
111.04443	3.9
111.08041	4.2
115.05481	4.3
117.07001	10.9
118.80942	3.7
119.08549	27.6
120.08086	6.7
121.06509	10.3
121.10139	45.4
123.04427	7.0
123.08062	6.1
123.11712	26.3
125.09631	5.3
127.03899	21.0
127.08742	3.9
127.11223	7.4
129.07008	4.2
131.08583	21.8
133.10126	100.0
135.08041	7.9
135.11691	40.6
137.05980	7.0
138.09198	4.6
139.11127	4.3
145.04955	7.7
145.10138	16.9
147.11623	22.1
149.09618	6.3
149.13286	7.4
151.07552	6.3
151.11246	7.1
153.01845	8.8
153.12772	21.0
156.13805	7.3
157.10077	5.9
159.07993	4.4
159.11688	32.4
161.09697	7.3
161.13272	7.2
163.07503	9.3
163.11136	8.9
167.07124	6.6
175.11232	4.0
177.12772	9.3
181.08595	4.9
191.14261	4.9
191.17891	26.5
193.12154	4.3
195.06526	4.1
201.16370	20.7
203.05249	6.3
209.18953	4.8
219.07938	4.4
219.13812	15.7
219.17435	27.3
229.15547	6.0
237.14818	74.5
237.18610	11.5
326.45569	3.8
355.08148	30.0
381.23111	5.1
399.10657	8.4
399.15445	12.3
399.20081	23.7
399.24530	4.1
414.63101	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11813	0.5
55.05515	0.8
56.05024	0.7
56.96551	1.1
69.03421	1.7
70.06594	1.6
70.88137	1.5
70.88509	1.1
71.08619	0.8
81.03445	0.9
84.04523	0.7
85.02901	3.1
97.02881	3.3
98.97585	1.6
101.06034	0.8
101.56211	0.6
102.05511	1.3
107.04936	0.9
109.02944	0.6
109.98444	0.7
110.07227	0.6
111.04479	0.7
116.98603	1.7
118.71143	0.5
127.03939	0.8
128.81117	0.6
128.98639	0.6
131.01894	0.7
134.99632	0.7
136.06161	3.1
137.05974	0.9
146.99648	0.8
147.80884	0.7
154.49629	0.6
161.02957	0.7
163.03929	2.5
177.00658	0.9
197.02930	1.2
213.02454	1.3
219.01816	0.9
231.03575	0.7
232.41832	0.7
237.02731	2.3
244.04340	0.9
250.09366	2.2
255.03607	1.9
279.03214	0.7
297.04324	0.8
305.90695	0.6
309.82407	0.7
339.05817	3.4
357.06641	2.5
381.11487	6.0
393.08841	1.4
399.12622	100.0
400.13184	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.1
69.03422	1.9
69.81892	0.7
70.06579	2.2
70.49575	2.7
70.49914	1.0
71.08620	1.3
72.63006	0.7
73.67371	0.9
82.82620	0.7
83.04965	1.1
84.08144	0.8
85.02898	1.4
89.03923	0.8
95.47451	0.8
97.02880	3.5
98.97572	1.6
101.83342	0.8
102.05545	1.0
107.04960	1.1
111.04436	1.2
116.98612	1.9
118.97483	0.8
128.98611	1.0
136.06177	9.0
137.05933	0.8
140.11313	0.9
146.99664	1.5
157.03003	0.8
163.03902	2.4
207.08514	0.8
215.37862	0.8
219.01662	1.5
223.49635	0.8
228.05933	0.9
237.02780	1.9
250.09325	2.1
293.69754	0.8
298.94055	0.8
339.03793	1.4
357.04987	0.9
399.12601	100.0
400.13025	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	26.1
57.07060	28.2
67.05486	60.2
69.07065	28.7
69.89861	24.7
70.10905	74.2
70.11314	49.8
81.07051	60.3
86.54952	23.9
91.05502	26.9
93.07039	58.9
95.08590	93.7
105.07038	29.3
107.08620	39.2
109.10147	53.9
110.48343	20.0
119.08606	29.3
123.11707	24.3
147.11714	81.6
149.13300	26.0
161.13248	56.8
210.86191	25.6
257.22580	34.0
285.75970	23.7
397.38202	100.0
415.48099	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01860	1.0
55.05511	1.3
57.03410	0.8
65.03931	2.5
67.05492	0.8
69.03426	4.4
69.60830	1.9
69.61260	3.3
69.70110	0.7
70.06585	1.3
71.04966	0.9
72.08146	1.7
73.02921	1.2
79.05487	1.7
81.03425	5.5
83.04983	0.8
84.04510	1.0
85.02895	5.9
87.00814	1.9
91.05476	30.3
95.04981	1.7
97.02914	3.5
97.06554	0.9
98.06049	2.1
99.04459	1.7
102.05517	1.3
103.05411	1.0
105.01881	0.7
105.07025	16.6
107.04950	0.8
107.08572	0.9
109.02892	4.4
109.06614	0.7
109.12145	0.8
114.05482	1.3
115.05434	4.0
117.05756	10.3
118.39812	1.0
120.08105	4.2
122.06006	2.0
122.97482	0.7
126.05518	1.6
127.03908	5.2
129.01849	0.9
130.06531	1.0
131.07318	0.8
132.08081	100.0
133.06479	13.9
133.08441	2.1
134.09604	0.9
140.07053	1.1
145.04938	0.8
148.07726	0.6
150.09131	75.0
151.09425	1.5
186.07651	1.0
219.76054	0.7
290.08807	1.8
312.14334	2.4
354.15457	3.1
380.13269	1.4
391.07486	0.8
398.14444	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01851	0.6
55.05497	0.6
56.91331	0.5
56.96549	0.9
57.03413	0.8
60.25402	0.5
61.02918	1.1
67.05486	1.1
68.99768	1.6
69.03405	2.3
69.07043	0.8
70.78289	1.8
70.78651	0.5
71.73603	0.5
73.02917	0.6
79.05488	1.6
81.03382	1.9
81.07066	2.7
83.08591	0.7
85.02484	0.6
85.02898	5.5
85.06514	0.5
87.00804	1.6
91.05462	2.9
93.07031	1.3
95.04971	0.6
95.08582	1.3
97.02875	1.4
99.04454	0.6
101.95490	0.6
103.03927	2.2
103.05449	1.0
103.44605	0.5
105.07029	1.9
107.04919	0.7
107.08588	1.2
109.02840	1.2
109.10133	0.8
112.20640	0.5
115.05429	2.1
117.07035	4.1
119.04942	0.7
119.08582	0.7
121.06477	0.9
123.04424	0.7
127.03891	2.1
128.06192	0.5
129.01804	1.1
131.04814	0.8
131.08527	0.7
133.06436	1.4
135.07961	0.6
137.05995	0.7
143.08482	0.6
145.06483	8.3
147.04456	1.1
149.05980	10.3
159.02859	0.8
159.08026	1.1
161.05975	5.7
163.07500	1.7
165.06934	0.6
166.47427	0.5
169.06548	0.7
171.04279	0.6
173.05975	10.0
183.08038	0.9
185.06015	1.7
187.07523	1.9
191.07048	9.0
199.07558	0.9
203.10715	0.5
211.07530	0.9
215.07034	3.2
239.07008	2.2
243.09908	1.0
249.11043	0.7
257.08047	2.0
261.10983	75.8
262.11432	3.0
262.13919	0.6
311.11432	0.8
312.10254	0.5
397.16208	100.0
398.16550	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01864	5.6
55.05511	6.1
57.03437	2.2
57.07073	2.1
61.02935	1.4
65.03941	4.2
67.05502	6.1
68.99796	3.0
69.03429	11.7
69.07069	6.3
71.04972	3.4
71.58147	1.5
79.05495	13.9
81.03411	7.5
81.07060	16.2
83.04977	4.1
83.08606	4.4
84.08127	1.3
85.02895	5.8
91.05479	19.9
93.03397	5.8
93.07038	15.1
95.01337	4.2
95.04972	5.7
95.08603	11.2
97.02874	4.2
97.06510	3.4
97.10175	3.2
99.04448	3.4
100.11266	2.0
103.05454	4.5
105.03397	1.9
105.07030	26.3
107.04975	3.1
107.08586	10.7
109.02891	6.1
109.06521	3.2
109.10146	5.1
111.04434	1.5
111.08070	1.9
115.05436	7.5
116.06212	3.1
117.07014	8.1
119.04935	4.2
119.08575	8.7
121.06501	6.9
121.10145	5.7
123.04430	1.5
123.08117	2.0
123.11710	4.1
127.03895	4.5
128.06221	3.1
129.01831	1.7
129.07036	6.1
130.07787	1.6
131.04854	2.1
131.08594	14.6
133.06496	15.6
133.10138	6.3
135.08066	5.1
135.11705	2.6
137.05969	15.8
137.09598	2.0
140.00128	1.3
141.06989	5.2
142.07762	1.9
143.04916	1.8
143.08545	3.5
144.05724	2.5
145.06490	17.2
145.10124	7.8
147.04373	9.4
147.07993	3.4
147.11679	10.7
149.05978	23.1
149.09772	1.8
149.13257	3.0
151.07533	3.5
153.06998	4.2
155.08604	8.7
157.06517	3.0
157.10139	4.4
158.07256	3.7
159.04463	1.9
159.08069	12.6
159.11682	1.6
161.05980	67.0
161.09613	2.1
162.06747	7.1
163.07564	10.2
163.14865	1.4
165.06979	2.9
165.12740	4.8
168.05640	2.1
169.06509	2.5
171.04437	1.9
171.11678	2.0
172.05185	2.2
173.05988	12.6
173.09680	7.9
174.06645	1.8
175.07561	19.2
175.11186	4.6
177.05399	1.8
177.09085	3.6
179.07053	4.0
181.10078	1.4
182.15485	1.3
183.08067	5.5
184.08717	1.5
185.05962	6.5
185.09679	2.2
186.06793	15.8
187.07552	18.1
189.05450	27.6
189.09123	3.5
189.12648	2.3
189.16156	1.4
191.07060	10.3
191.10675	2.4
193.05060	2.0
193.12253	5.6
197.05992	1.8
199.07545	3.2
199.11244	1.6
200.04727	1.6
201.05339	1.7
201.09081	17.3
203.05280	2.3
203.07002	14.9
203.10619	2.4
207.06560	3.6
207.13698	1.9
211.07539	4.8
213.05524	3.2
213.08904	1.4
214.06270	13.0
215.07025	77.1
217.12192	7.3
221.08105	2.7
227.07080	2.2
229.08609	26.6
233.08066	58.6
235.13330	4.6
235.16983	1.6
239.07025	3.2
245.08064	9.4
253.14395	1.8
257.08081	100.0
258.08569	1.8
263.09079	1.8
275.09131	66.2
293.10233	3.1
299.09216	1.9
343.08344	2.5
361.09113	16.5
379.10315	17.7
397.11325	6.6
397.17950	3.4
397.31131	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01863	1.7
55.05495	0.8
57.07053	0.6
67.05495	1.8
68.99445	0.7
68.99792	12.8
69.03422	1.0
69.07055	1.1
69.95200	1.3
69.95618	1.5
71.87714	0.5
74.08183	0.4
79.05499	3.3
81.03405	1.3
81.07054	13.9
83.04987	0.8
83.08602	1.1
85.02898	1.2
87.04417	0.5
91.05480	5.0
91.11069	0.5
93.07044	5.5
95.04992	2.4
95.08591	1.7
97.10175	0.8
98.20799	0.7
99.04479	0.6
102.09196	2.2
103.05476	5.2
104.10762	1.3
105.07039	3.4
107.04937	2.2
107.08583	1.6
109.06509	0.7
109.10165	1.1
117.07020	0.9
119.08598	1.4
121.06499	12.8
121.10200	0.7
123.04437	0.8
123.08105	0.5
123.11713	0.9
127.03918	0.8
129.06979	0.6
131.04897	1.5
131.08527	0.7
133.10127	1.0
135.04503	0.6
135.08064	0.6
136.44913	0.4
137.05943	1.1
143.08521	0.7
145.04988	0.5
145.06490	0.9
145.10115	0.9
147.08115	0.6
147.11713	1.0
147.67131	0.5
149.05980	100.0
150.06337	2.4
150.07430	0.5
151.07591	0.6
152.06360	0.5
161.05952	1.2
163.07550	12.7
173.05974	1.2
187.07649	0.7
189.09181	1.4
191.07062	2.3
193.12291	0.6
201.09084	0.5
209.09520	0.5
211.07555	0.5
213.08905	0.6
215.24161	0.5
249.24927	0.6
257.08194	1.5
379.20743	0.7
396.31198	0.7
397.22574	1.3
397.27466	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79646	2.3
53.03944	3.2
55.01873	2.7
55.05502	6.0
56.96542	3.8
62.30291	2.4
67.05497	9.0
68.99788	14.7
69.03432	3.4
69.07053	9.5
74.52535	2.6
79.05493	10.3
81.03410	4.9
81.07053	21.3
85.02892	4.6
91.05460	10.3
93.07044	16.2
95.04949	8.2
95.08600	12.1
97.06526	5.1
97.10194	2.8
102.79919	2.7
103.05473	7.2
105.07014	10.7
105.74448	3.0
107.08569	6.5
109.02867	2.6
109.06502	2.9
109.10134	7.0
117.07018	2.9
117.81396	2.7
119.08566	4.9
121.06514	15.6
121.10155	5.1
131.08559	4.2
133.10126	3.5
135.08002	3.7
135.11691	5.3
137.05991	9.0
145.10155	6.1
147.11664	3.4
149.05989	100.0
149.13251	2.7
153.01813	9.6
155.04774	2.4
157.10114	3.5
159.11723	3.8
161.05983	4.3
161.09601	3.0
163.07545	3.5
169.10211	2.9
171.07942	2.9
173.05988	3.8
175.07639	3.4
181.10092	2.6
189.09235	2.8
239.07173	2.8
251.10651	3.2
267.77982	2.8
306.53168	2.7
330.80490	2.3
379.19025	3.0
397.30948	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.1
55.01847	2.2
55.05487	1.4
57.03428	0.7
58.24841	0.6
65.03925	1.0
65.08820	0.8
67.05489	2.9
68.99787	15.4
69.03407	2.5
69.07054	2.3
70.53256	2.1
70.53609	1.4
79.05475	4.6
81.03397	3.3
81.07053	15.8
83.04959	0.8
84.32293	0.7
85.02891	3.4
87.00813	1.9
91.05471	7.8
93.07031	8.3
95.04959	4.1
95.08610	4.6
97.02913	1.4
97.07591	0.8
103.03914	1.0
103.05453	5.1
105.01859	0.7
105.07018	5.4
107.04951	1.9
107.08588	3.5
109.02874	1.8
109.06500	2.1
109.10152	3.0
115.05443	3.2
117.07005	4.6
119.08564	2.5
121.06507	12.6
121.10130	2.1
123.11723	1.0
127.03918	1.8
131.04945	1.9
131.08568	1.7
133.06474	3.0
133.10144	2.0
135.08104	1.3
135.11667	1.4
137.05983	8.0
141.07037	0.7
143.08595	1.0
145.06447	5.1
145.10109	1.5
147.08096	0.8
147.11662	1.0
149.05971	100.0
149.13260	1.4
150.06244	1.8
151.07529	6.4
151.71002	0.8
155.08606	0.8
159.07997	2.3
161.05962	6.5
161.09554	0.8
163.07520	2.4
173.05960	6.2
173.09692	1.4
173.13217	0.9
175.07562	1.3
177.09106	3.0
183.08063	0.8
184.49196	0.7
185.06009	1.2
187.07506	3.4
189.05475	0.9
191.07022	13.6
191.10678	1.6
201.09036	0.9
203.06978	1.0
211.07509	1.8
215.07053	5.2
239.07076	1.8
257.08063	6.4
379.17343	3.6
397.18109	3.5
397.31293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01866	1.9
55.05496	2.9
57.03412	1.0
64.17438	0.9
65.80219	0.8
67.05493	4.0
68.99780	11.6
69.03419	2.4
69.07054	1.9
71.05015	0.8
71.58480	1.7
79.05511	4.2
81.03392	1.2
81.07051	14.5
83.08643	1.2
85.02897	2.4
87.00773	1.1
91.05482	5.8
93.07044	7.1
94.79276	0.8
95.04964	3.7
95.08588	4.6
97.06503	1.1
103.05453	4.7
105.04523	1.0
105.07028	3.9
107.04968	1.5
107.08590	2.9
109.02877	1.3
109.06499	2.0
109.10155	2.2
115.05434	1.0
117.06998	2.5
119.08570	3.2
121.06504	14.0
121.10193	1.8
123.11666	1.2
127.03931	1.2
128.06229	1.6
129.06943	1.7
131.08580	1.5
133.10132	2.1
135.11734	1.1
137.06012	1.4
145.06465	3.3
145.10109	1.9
147.04474	1.0
147.11632	0.8
149.05971	100.0
150.06314	1.8
153.01859	1.4
155.08537	2.1
157.06517	0.9
157.10138	1.1
159.08066	1.1
159.11754	2.1
161.05980	2.5
163.07532	1.3
165.06898	1.3
171.11658	1.2
173.05974	2.5
175.07597	0.9
179.08543	1.4
181.10124	1.0
185.05785	0.9
187.07550	0.9
191.07008	2.2
193.10039	0.9
197.09583	1.5
207.11696	1.3
211.07626	1.4
211.11116	1.1
215.06979	1.5
235.07579	1.3
239.06834	1.0
251.10699	2.3
263.10468	1.1
351.19595	1.3
361.17972	2.0
379.18872	2.5
397.20227	1.4
397.31171	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
54.49028	0.6
55.01867	1.9
56.01210	0.7
57.18900	0.6
61.02908	0.6
67.05499	1.4
68.99441	1.0
68.99790	13.2
69.03414	2.0
69.07058	1.0
71.58574	1.2
73.13569	0.5
79.05473	3.6
81.03410	2.4
81.07056	10.2
85.02451	0.7
85.02897	4.3
87.00823	1.9
91.05475	5.8
93.07044	5.5
95.04983	3.6
95.08598	2.2
97.02872	1.5
99.04502	0.9
103.05471	5.0
105.07021	2.6
107.04956	2.2
107.08564	1.0
109.02921	1.1
109.06497	0.7
109.10117	0.7
114.52564	0.6
115.05450	2.4
117.07011	3.8
119.04933	0.6
119.08616	1.1
121.06509	12.5
122.26376	0.7
123.08069	0.7
127.03940	1.1
129.01846	0.6
129.06998	0.9
131.04877	1.1
131.08545	1.0
133.06502	1.8
135.08073	1.0
137.05968	2.2
145.06506	4.1
149.05983	100.0
150.06268	1.7
151.07542	7.5
155.08578	1.0
159.08084	1.6
161.05986	5.5
163.07547	2.1
173.05995	7.1
173.09619	0.9
175.07535	0.7
177.05508	0.9
177.09102	1.7
179.07101	0.9
183.08107	0.8
186.06790	0.7
187.07570	2.3
191.07028	14.3
201.09100	1.1
203.07007	1.5
211.07552	2.8
215.07056	5.1
229.08632	0.9
239.07013	2.7
257.08069	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52055	4.6
53.03931	4.8
53.36583	4.5
54.03506	4.2
55.01857	4.4
56.96560	55.5
57.03437	13.3
59.11843	4.1
60.04535	11.0
61.02923	15.3
69.03428	29.9
69.07073	6.3
69.07455	4.2
70.06591	86.7
71.41982	8.0
73.02918	13.9
81.03431	8.3
81.07004	6.3
84.08135	7.9
84.95998	6.4
85.02902	46.5
85.06522	4.7
86.09708	8.1
87.04472	7.5
93.07043	4.6
97.02882	26.7
98.97578	66.0
102.96994	8.1
109.02877	7.9
110.07180	19.7
110.97586	10.4
111.04483	4.2
112.99133	31.3
116.07120	10.0
116.98624	61.4
119.01925	10.6
127.03900	10.0
128.02286	7.7
128.98616	20.1
130.70518	4.8
131.00159	80.9
133.01709	9.0
134.99689	34.5
135.04459	7.6
136.07587	7.3
145.01721	8.2
145.04942	6.3
146.99667	19.7
148.03876	7.4
149.01221	81.1
150.09140	8.0
153.00777	6.0
157.09645	22.6
158.99664	18.7
161.01234	5.6
163.02754	13.1
163.03947	15.3
165.00726	5.4
167.02275	9.6
168.03635	6.7
168.53433	5.2
170.99570	6.7
172.02785	7.3
173.01216	29.9
175.02812	8.2
177.00728	29.6
178.08714	5.0
180.25987	4.2
185.01219	5.4
185.09261	12.3
187.02644	5.6
189.00745	9.9
191.02289	51.7
191.03891	7.4
193.03877	16.2
196.09715	15.1
197.13263	4.9
201.00652	10.5
205.03894	7.5
211.04929	12.6
213.03352	6.3
213.12352	22.9
219.01746	29.0
223.04747	6.2
233.03333	12.1
235.02849	15.1
235.10857	8.8
237.02815	77.0
238.03450	5.0
247.04910	5.2
249.06322	16.3
250.06972	6.1
255.04031	8.2
263.04150	5.2
265.08276	5.5
278.06567	5.3
279.04108	7.5
280.44901	5.3
281.05371	14.8
293.05396	12.7
295.06833	9.7
316.05511	4.6
337.08023	100.0
355.09106	87.7
378.11130	5.4
397.10300	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
54.01834	2.2
61.02942	2.4
69.03426	7.0
70.06596	5.2
71.04959	2.2
71.57262	3.0
73.06540	2.5
74.01241	2.0
79.05492	2.3
81.03436	6.4
81.07059	3.7
84.04498	3.2
84.08181	3.1
85.02892	14.6
86.09686	4.5
87.00816	6.3
87.63506	2.0
91.05469	3.6
93.07034	2.7
95.08596	6.1
97.02879	7.0
97.48495	2.1
105.01905	3.1
105.07021	2.2
107.04935	4.0
109.02871	5.0
113.09637	100.0
117.30278	2.1
120.08087	2.3
121.10153	2.6
127.03915	6.7
131.10678	16.9
136.07570	7.7
145.04942	5.1
174.09148	2.4
181.12222	3.7
216.17505	3.2
234.14781	2.3
234.18539	4.0
237.12354	6.1
372.30954	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
54.01834	2.2
61.02942	2.4
69.03426	7.0
70.06596	5.2
71.04959	2.2
71.57262	3.0
73.06540	2.5
74.01241	2.0
79.05492	2.3
81.03436	6.4
81.07059	3.7
84.04498	3.2
84.08181	3.1
85.02892	14.6
86.09686	4.5
87.00816	6.3
87.63506	2.0
91.05469	3.6
93.07034	2.7
95.08596	6.1
97.02879	7.0
97.48495	2.1
105.01905	3.1
105.07021	2.2
107.04935	4.0
109.02871	5.0
113.09637	100.0
117.30278	2.1
120.08087	2.3
121.10153	2.6
127.03915	6.7
131.10678	16.9
136.07570	7.7
145.04942	5.1
174.09148	2.4
181.12222	3.7
216.17505	3.2
234.14781	2.3
234.18539	4.0
237.12354	6.1
372.30954	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	1.3
55.05513	5.1
57.03437	0.7
67.05503	11.2
68.05024	1.9
69.03425	21.5
69.06724	0.9
69.07065	11.3
70.78177	1.5
70.78507	0.9
71.04996	1.2
79.05491	11.2
81.03429	0.8
81.07052	9.6
82.05868	0.6
83.04974	1.9
83.08649	1.4
86.06062	100.0
87.04463	43.3
91.05463	8.4
93.07038	13.0
94.89346	0.6
95.04947	3.9
95.08601	7.4
96.08961	0.6
97.06538	3.0
97.10170	1.6
104.07098	57.2
104.10735	0.7
105.07033	6.9
107.04958	5.6
107.08598	4.3
109.06501	1.0
109.10164	1.9
117.07059	1.8
119.08572	6.8
121.06490	0.9
121.10131	5.2
130.53244	0.6
131.08600	3.3
133.10144	5.2
135.08029	5.2
137.09639	1.0
139.11162	3.4
143.08507	0.7
145.06496	0.6
145.10141	2.3
147.08098	1.1
147.11673	2.4
149.09592	1.8
157.10037	0.7
159.11714	2.1
170.11818	1.0
183.11774	0.8
197.13214	0.8
201.65440	0.7
203.12758	3.2
207.13861	1.1
225.14757	0.8
237.14780	3.3
247.20261	0.7
257.18884	1.6
261.69464	0.7
275.20053	16.5
293.21066	10.4
396.27191	17.2
408.14041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80251	1.9
55.01855	3.1
55.05499	2.8
56.05011	2.6
60.04505	4.6
61.20519	1.8
64.84927	1.5
65.03929	2.8
67.05498	7.0
68.79041	1.4
69.03427	8.7
69.07064	2.9
70.06570	5.4
70.90733	3.4
70.91106	3.7
71.04972	1.5
74.01656	1.5
74.06074	2.5
79.05487	7.1
81.03405	4.6
81.07069	2.4
83.04965	6.5
84.04495	4.2
84.08142	3.2
85.02900	17.3
86.09683	6.1
89.03878	2.9
91.05485	6.1
93.03389	2.2
93.07030	6.2
94.06567	2.5
95.04977	7.9
95.08593	2.1
97.02884	5.1
97.06520	1.9
97.26385	1.5
100.79188	1.6
103.05435	8.2
105.03374	2.2
105.07020	4.1
106.06556	8.2
107.04950	10.7
109.02885	2.4
110.07195	2.1
111.04451	10.7
113.09624	2.1
115.05438	6.4
117.03365	2.9
119.04901	1.8
120.08114	16.4
121.02821	1.8
121.06454	4.6
122.06031	2.9
123.04420	6.5
124.07555	1.6
124.37527	1.4
127.03908	6.9
129.05481	5.1
130.06522	4.0
131.04918	24.5
132.04469	2.8
133.02846	5.8
133.06483	6.6
135.04427	13.1
135.07974	2.4
136.03929	4.2
136.07602	3.2
137.02322	2.1
137.05966	1.9
139.03911	4.3
140.07005	3.0
143.04907	9.0
145.02843	5.7
145.04944	4.6
148.07553	18.4
149.05930	4.3
150.09163	4.9
151.03865	3.4
153.09111	2.0
154.04967	3.1
155.05315	2.1
158.06004	6.0
159.04399	10.4
160.03917	2.7
160.07625	2.1
161.02362	4.0
161.05911	10.3
162.05476	17.0
163.03896	47.5
163.07494	2.8
167.23070	1.7
176.07062	93.7
177.05420	3.0
178.04971	8.2
178.08629	19.2
179.03384	8.5
186.05582	2.5
187.03885	23.6
187.14406	6.1
192.06555	7.0
194.08160	2.4
199.09686	4.0
204.06543	100.0
205.05017	3.7
208.09680	2.1
217.10710	2.3
222.07596	52.1
223.07848	2.2
234.07544	2.5
234.09569	2.4
234.11600	2.2
293.10226	2.3
320.19299	1.8
334.31375	1.8
350.12350	3.1
357.31110	1.8
378.11960	3.2
396.12888	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2942
Annotation	7,8-Didehydro-beta-micropteroxanthin
Peak:m/z	Relative Intensity
55.01878	2.6
55.05511	20.4
57.07065	3.9
57.13367	1.4
58.92617	1.6
59.76780	1.3
67.05502	24.5
69.07072	14.4
70.01277	8.0
71.04993	2.3
79.05499	17.3
81.07059	21.9
82.48971	1.6
83.05008	2.3
83.08627	7.5
85.07667	7.1
91.05479	23.2
93.07048	17.8
95.04966	3.3
95.08609	20.6
97.06553	2.5
97.10162	5.8
105.07029	16.1
107.08588	11.5
109.06496	2.4
109.10151	9.0
115.05431	5.6
117.07010	15.9
119.08581	13.2
121.06497	3.2
121.10162	6.5
123.08126	2.4
123.11698	2.8
125.09614	2.1
128.06204	3.8
129.07010	20.1
130.07761	2.8
131.08556	20.1
133.06517	2.0
133.10138	11.6
135.08157	1.7
135.11732	3.0
137.05997	1.9
141.06992	23.7
142.07787	7.4
143.08565	21.7
145.10109	14.1
147.11661	6.5
153.07013	3.2
154.07722	8.6
155.08562	36.5
156.09286	3.9
157.10106	17.3
159.08043	2.7
159.11697	9.7
161.13240	2.3
165.07021	3.5
166.07751	3.3
167.08553	14.9
168.09349	5.8
169.10127	31.7
170.10893	2.6
171.08195	2.5
171.11703	14.7
173.13258	6.0
175.11256	2.7
179.08603	3.6
181.10085	13.7
182.10896	3.9
183.11687	35.2
184.12227	3.1
185.09468	1.6
185.13210	10.8
187.14833	3.1
195.11681	12.6
196.12352	1.7
197.13237	25.4
198.13986	2.2
199.14856	6.0
201.12914	2.1
207.11745	2.1
209.13251	8.6
210.13808	1.8
211.14796	16.2
213.12804	1.8
223.14804	11.1
225.16345	13.9
229.15900	1.8
237.16393	4.7
239.17960	6.4
251.18022	2.8
253.19627	8.1
265.19568	2.3
267.20966	3.6
283.20496	3.2
292.79193	1.6
299.20163	2.1
311.20154	2.2
313.21762	2.5
321.22131	2.8
325.21588	5.2
326.22433	3.9
327.22983	2.7
335.23541	2.1
339.23123	4.7
353.24731	1.6
377.28445	11.4
378.26581	3.8
395.29431	100.0
396.29971	7.8
417.34329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21098	1.4
53.03929	3.1
55.01862	1.9
55.05512	22.6
57.07055	1.9
59.04997	1.4
63.57437	1.7
67.05503	38.3
69.07063	21.6
70.76144	5.1
71.04998	1.8
79.05493	24.2
81.03386	1.4
81.07051	31.3
83.08622	10.7
85.02898	2.0
85.06528	2.2
85.07663	5.7
91.05477	34.4
93.07041	21.8
95.04973	4.6
95.08601	35.2
95.09174	2.7
97.10159	4.6
103.05454	2.3
105.07022	30.4
107.08592	12.4
109.06467	3.4
109.10149	12.1
111.08065	3.2
115.05433	2.6
116.06255	2.0
117.07016	23.7
119.08567	17.9
121.06467	2.2
121.10150	10.0
123.08086	2.3
123.11723	2.8
125.09612	2.6
128.06227	9.3
129.06998	26.7
131.08553	29.8
133.06461	2.4
133.10136	15.7
135.08020	2.0
135.11743	4.4
137.13264	2.2
139.11206	1.9
141.06979	33.4
142.07741	6.1
143.08562	25.6
145.10117	17.6
147.08081	2.4
147.11728	7.3
149.09564	1.7
149.13220	1.7
153.07010	6.7
154.07739	9.1
155.08551	41.3
156.09250	2.4
157.10115	26.3
159.08101	2.0
159.11690	15.0
161.13290	2.6
165.07011	3.1
166.07748	2.9
167.08534	14.1
168.09363	7.0
169.10118	49.6
170.10704	1.7
171.08064	3.0
171.11714	15.4
173.13226	9.0
175.14761	1.6
179.08496	2.9
181.10092	16.2
182.10857	5.0
183.08069	1.7
183.11679	39.2
184.12386	1.9
185.09514	2.7
185.13271	9.2
187.11209	2.4
187.14813	3.8
193.10153	3.6
194.10905	2.3
195.11697	15.8
196.12468	3.5
197.13254	25.6
199.11220	1.8
199.14816	6.0
207.11729	5.1
209.13271	13.4
211.14836	19.9
213.16328	2.3
221.13312	2.4
223.14780	9.1
225.16354	12.0
227.17920	1.8
229.12073	1.8
229.16101	2.1
237.16330	7.4
239.17892	10.1
251.17931	5.2
253.19554	8.6
257.18945	2.6
265.19473	1.5
267.06488	6.7
267.21210	3.0
268.07278	3.3
269.19189	2.5
275.20139	1.8
278.09357	2.8
279.20999	2.8
283.16864	1.6
299.20096	2.1
307.20453	5.5
311.20087	5.8
313.21634	4.2
321.11258	6.9
321.22086	2.7
325.21594	6.3
326.22253	4.0
327.23260	1.7
335.23599	3.3
339.12277	28.3
339.23187	2.8
340.12592	2.7
353.24860	2.7
367.29916	2.6
377.28351	14.2
395.18457	6.3
395.29437	100.0
396.29816	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2946
Annotation	7,8-Didehydro-beta-micropteroxanthin
Peak:m/z	Relative Intensity
53.03946	1.4
55.01857	1.3
55.05516	18.4
56.57743	1.4
57.07080	2.5
65.03939	2.0
67.05508	23.0
69.07068	13.9
70.76486	2.6
70.76862	2.5
71.04989	2.2
79.05499	13.2
81.07059	24.0
83.05011	2.1
83.08620	6.0
85.06537	1.7
85.07673	5.0
91.05481	23.4
93.07050	16.2
93.79603	1.3
95.04968	3.1
95.08611	21.3
97.10172	3.5
98.18980	1.4
98.21206	1.5
102.36964	1.3
105.07028	19.9
105.07681	1.7
107.08585	9.9
109.06523	2.1
109.10158	9.8
111.11718	1.2
115.05429	2.8
117.07026	16.7
119.08592	15.0
121.10129	5.7
123.11708	2.8
125.09599	2.0
128.06238	4.8
129.06131	2.3
129.07005	18.9
131.08589	23.5
133.10133	16.4
135.11722	4.0
137.09636	1.5
141.06996	21.7
141.23918	1.3
142.07791	5.3
143.08586	19.1
144.09373	1.9
145.06509	1.7
145.10127	15.7
147.08018	1.5
147.11688	7.0
149.13290	1.8
153.07021	4.1
154.05150	1.2
154.07774	6.7
155.08566	31.4
156.09225	1.8
157.10129	19.5
158.10612	1.4
159.11705	11.4
161.13347	3.5
165.07030	1.9
167.08560	11.1
168.09357	5.0
169.10129	33.9
170.10962	1.7
171.11734	12.6
173.09712	1.8
173.13303	4.7
179.08554	3.4
179.14296	1.5
180.09285	1.7
181.10100	13.3
182.10925	4.4
183.11714	30.5
184.12206	2.6
185.09683	2.2
185.13272	11.8
187.11188	1.9
187.14818	2.3
193.10068	1.6
195.11705	10.2
196.12222	1.8
197.13275	24.2
198.13808	2.3
199.14851	5.7
201.16269	1.7
207.11725	2.4
208.12407	1.6
209.13303	11.2
211.14818	16.4
213.12636	1.6
213.16438	2.5
214.03758	1.2
221.13356	2.3
222.33568	1.1
223.14948	8.6
225.16391	11.7
227.17900	1.7
235.14742	1.7
237.16408	4.2
239.18057	8.8
249.16287	2.0
251.17892	3.9
253.19524	7.2
257.19144	1.4
265.19522	3.0
267.21173	2.5
279.20917	2.0
283.16898	1.8
283.20602	1.3
287.20065	1.8
297.18713	2.7
299.20068	1.4
307.20612	4.9
311.20206	2.4
313.21753	1.6
319.20618	1.2
321.22388	1.8
325.21625	3.8
326.22375	4.2
327.23227	1.6
339.23291	3.1
353.24710	3.1
359.27197	2.1
367.25949	2.5
367.30182	1.5
377.28391	15.4
395.29474	100.0
396.29959	6.6
412.85727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51073	1.9
53.03931	2.5
55.01844	2.3
55.05310	2.0
55.05508	23.3
63.72072	2.4
67.05500	27.3
69.07066	18.8
70.64592	6.7
71.04967	2.7
73.03783	1.8
79.05492	19.7
81.07053	26.4
83.08604	6.7
85.06517	2.2
85.07662	12.2
91.05474	19.9
93.07052	17.6
95.04970	3.3
95.08607	25.9
97.06495	3.2
97.10124	4.6
104.77763	2.2
105.07008	19.7
107.08600	16.5
109.10155	10.9
115.05450	3.3
117.07010	16.3
119.08555	20.7
121.10158	5.8
123.11688	3.2
128.06206	7.2
129.07010	24.6
131.08557	16.0
133.10095	11.2
135.11674	2.2
137.13266	2.6
141.06976	24.5
142.07767	6.1
143.08551	24.2
145.10106	17.4
147.11661	7.2
153.06982	5.8
154.07727	10.1
155.08548	41.0
156.09244	3.6
157.10107	20.6
159.11696	8.5
161.13223	2.8
165.07013	4.3
166.07719	2.7
167.08580	17.4
168.09325	6.2
169.10114	47.3
171.11693	18.3
173.13249	6.2
179.08551	2.6
180.09196	2.4
181.10071	22.0
182.10887	3.7
183.11676	40.8
184.12186	2.5
185.13243	9.2
194.10750	2.0
195.11667	14.3
196.12381	4.7
197.13272	28.5
199.14833	4.0
207.11740	3.8
209.13202	13.4
210.13983	3.4
211.14815	14.0
221.13155	2.6
223.14809	9.1
223.16724	2.4
225.16382	11.5
237.16432	4.2
239.17908	21.5
245.07857	2.7
251.18161	3.0
253.19493	7.7
265.19476	3.2
297.18466	2.6
307.20547	4.2
321.22171	4.4
325.21701	4.8
335.23737	3.7
339.23300	5.3
353.24911	4.1
377.28363	11.0
395.20978	4.1
395.24405	5.0
395.29449	100.0
396.29929	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40636	5.6
53.03927	9.7
55.01863	16.9
55.05510	52.5
57.07047	7.6
60.04529	9.8
65.21783	7.3
67.05507	98.4
68.11439	6.8
69.03414	11.0
69.07072	46.2
70.18878	32.6
79.05498	69.5
81.07053	90.3
81.69722	6.4
83.08613	17.9
85.02899	13.8
87.79845	7.6
91.05485	100.0
93.07040	68.9
95.04976	18.3
95.08601	94.6
97.06529	8.6
97.10161	23.3
103.05466	15.3
105.07037	91.3
107.04957	18.6
107.08592	53.9
109.06509	11.9
109.10152	32.2
115.05446	18.8
115.94724	8.6
117.06999	64.0
119.08585	67.5
120.11997	7.6
121.06500	8.1
121.10140	31.9
123.08107	11.7
123.11741	7.3
125.09613	15.0
128.06264	9.4
129.07004	46.0
131.08595	61.3
133.06485	13.0
133.10133	56.3
135.11665	9.9
139.11153	7.3
140.65819	6.6
141.06979	26.9
142.07742	14.1
143.08537	35.2
145.06471	17.7
145.10101	57.0
147.07999	8.8
147.11684	21.7
149.05974	8.5
149.09673	11.2
155.08536	34.2
157.10138	27.6
159.08095	15.0
159.11723	30.4
161.05923	10.8
161.09601	9.0
161.13342	11.0
163.11150	8.7
167.08592	20.5
167.19563	8.7
169.10117	42.7
171.08099	10.6
171.11694	22.5
173.13292	18.4
179.14330	8.2
181.10074	12.7
183.11642	37.5
185.09727	10.4
185.13167	10.4
187.11127	12.6
191.10663	8.2
195.11739	12.7
197.13268	12.6
199.11140	13.1
209.13089	9.4
211.14780	9.0
239.18001	22.1
257.19089	11.4
267.06552	25.4
267.21030	8.0
268.07178	10.5
275.20212	16.1
280.66409	8.3
303.23297	11.2
313.21686	13.7
321.11212	27.8
339.12228	91.6
341.21088	24.0
353.19833	7.8
354.37729	7.4
359.22241	15.8
395.18423	25.2
395.29456	46.3
415.71494	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.8
55.05515	63.4
56.01209	5.6
60.04543	8.1
65.40306	5.5
67.05504	85.1
69.03422	8.4
69.07073	42.0
69.34468	64.3
69.38731	6.3
71.08627	6.7
71.56264	6.8
79.05505	76.5
81.07051	73.4
83.04990	10.0
83.08616	23.8
85.02937	14.5
91.05483	98.3
93.07053	65.6
95.04965	22.0
95.08602	86.4
95.32161	5.6
97.10184	10.7
101.51183	6.7
103.05479	10.0
105.07028	100.0
107.04961	7.0
107.08616	44.3
109.06508	8.4
109.10172	23.3
111.08100	6.4
117.07002	59.0
119.04988	8.1
119.08583	58.2
121.06555	8.3
121.10153	33.5
123.08102	8.5
123.11694	12.4
125.09644	10.7
128.06226	9.0
129.07011	40.3
131.04987	8.0
131.08578	58.3
132.05714	6.0
133.06522	9.4
133.10133	57.8
135.11739	13.0
141.06967	37.0
142.07732	13.6
143.08563	32.1
145.06482	10.5
145.10126	49.8
147.08015	11.6
147.11703	13.5
149.09534	9.3
153.07010	11.1
154.07805	6.9
155.08554	46.8
157.06496	8.0
157.10129	34.7
159.11674	39.1
161.05916	8.6
163.07571	9.7
167.08643	19.4
169.10115	46.3
171.08119	9.1
171.11656	30.5
173.09676	12.0
173.13216	10.1
175.07619	7.5
175.11172	8.9
181.10191	18.2
183.11702	39.4
185.09773	9.1
185.13292	16.6
185.67529	6.3
187.11119	9.6
187.14842	7.3
191.10780	9.0
195.11687	14.7
197.13339	32.9
199.14781	7.8
201.12695	11.5
209.13304	7.2
211.14806	20.3
215.10594	8.9
217.12206	6.8
219.13745	7.1
219.50067	7.4
223.14830	7.3
225.16382	7.7
229.12181	7.0
233.11807	7.7
239.18028	17.5
253.19412	10.4
257.18961	18.5
267.06577	23.4
275.20041	19.0
313.21616	11.4
321.11087	11.3
323.19928	9.6
339.12299	49.7
341.21259	23.7
359.22385	10.5
377.28354	12.8
395.18527	11.8
395.29401	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09563	1.8
55.05513	2.3
67.05490	3.4
69.07064	4.1
70.06565	3.7
79.05486	4.5
81.03189	2.0
81.07044	3.9
87.35737	1.9
91.05480	4.5
93.07038	5.4
95.04962	1.7
95.08600	4.0
95.91415	1.7
97.02901	2.7
97.42439	1.8
102.09167	2.1
105.07032	5.5
109.10180	3.2
117.07013	2.3
119.08569	2.4
127.42619	1.9
131.08531	1.9
133.10124	4.8
134.99631	1.9
137.09589	2.1
145.10175	2.2
147.11835	1.9
149.02328	8.0
150.02530	1.8
175.07478	1.9
187.03674	58.0
193.05017	3.8
194.05305	3.3
222.68735	2.3
229.23616	3.6
241.08409	3.1
259.09412	100.0
319.09467	2.4
323.08936	12.1
343.77264	2.0
377.13751	14.4
395.14673	80.7
395.20068	3.3
395.26324	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	2.8
69.07056	1.4
79.05477	1.8
81.03183	1.1
81.07050	2.5
88.93901	1.0
91.05461	2.2
91.32610	1.0
91.42207	1.0
93.07018	1.3
95.08593	2.7
96.62873	0.9
98.20802	2.8
105.07033	1.4
107.08572	2.1
109.06513	1.3
109.10122	1.8
117.06995	1.0
119.08561	1.8
131.08556	1.3
133.10144	1.3
137.96909	1.0
147.11694	1.3
149.02376	2.3
149.03505	1.2
171.11691	1.6
173.09651	1.4
173.13226	1.1
187.03653	50.7
188.04245	2.2
193.04977	2.8
194.05302	1.8
201.05249	1.6
203.07016	1.6
229.20517	1.0
229.23323	1.0
241.08397	3.5
259.09396	100.0
260.09756	2.1
319.09375	3.1
323.08884	12.9
349.22296	1.1
373.42505	1.0
373.66418	1.0
377.13531	12.5
395.14676	77.5
395.20160	3.1
395.25888	3.3
396.15024	4.3
398.38977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.99693	0.5
55.01844	0.6
55.05516	0.5
56.96561	0.9
61.93846	0.5
67.05477	0.5
70.06586	1.6
71.57729	0.9
72.08142	0.9
72.85994	0.5
79.05492	1.5
80.89577	0.5
81.03387	0.7
81.07043	0.5
84.04492	0.6
84.08150	1.0
85.02912	1.6
88.76091	0.6
90.94862	0.5
95.04974	2.2
97.02871	0.7
107.04952	100.0
108.05267	2.4
109.34954	0.5
119.01920	1.3
120.08077	1.4
124.07550	0.7
127.00040	20.3
127.03957	0.9
129.03131	7.3
134.09621	0.6
147.04361	1.1
150.05530	0.7
158.97368	0.7
161.02975	0.6
161.05966	0.6
163.03949	1.7
168.88307	0.5
176.07069	2.3
179.03433	0.9
185.04214	27.4
186.04672	0.6
188.22099	0.5
189.05206	3.7
204.06656	1.4
221.05032	2.2
222.07658	0.8
234.99010	1.4
245.04987	1.1
250.96422	1.0
252.97896	1.2
263.67603	0.5
268.97504	1.5
289.05286	7.4
290.05737	0.7
292.97360	0.7
351.10501	9.0
395.00888	3.3
395.09323	9.4
396.13474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	15.8
57.03438	3.7
61.63988	3.2
67.05492	10.6
69.03406	10.3
69.07056	8.4
70.06587	4.6
71.05014	3.7
72.08147	4.0
79.05482	19.1
81.03406	12.6
81.07059	16.1
83.05001	4.3
83.08621	4.9
84.96014	6.4
85.02894	11.2
85.06548	4.4
86.09704	4.9
91.05463	17.4
93.07026	17.6
95.04974	8.7
95.08591	11.9
97.02912	5.4
97.06559	5.1
98.97572	32.4
105.07025	10.2
107.08607	21.3
109.02854	6.9
109.06501	6.4
110.97578	3.3
115.46436	3.1
115.95403	3.3
116.98628	19.0
117.07013	4.3
119.08579	9.2
121.06492	5.2
121.10140	15.4
122.06117	4.0
123.08061	3.7
127.03918	10.3
128.98648	17.7
131.08556	4.5
133.06456	4.9
133.10036	5.9
134.99641	15.7
136.07536	4.7
143.00189	6.9
145.10115	16.8
146.99654	14.0
147.11646	4.6
149.13264	9.6
159.11664	4.6
161.01218	5.3
161.05968	3.6
162.99135	4.5
163.07495	4.8
163.11226	4.2
170.99524	4.7
173.09619	7.8
177.00749	14.8
187.11176	7.5
189.00726	3.7
191.02380	4.0
205.12210	4.7
207.03319	10.0
215.10706	6.1
215.14334	4.3
219.01808	10.3
225.04347	8.1
233.11627	5.6
233.15378	4.3
237.02774	36.3
237.48196	3.5
255.03951	4.0
309.06360	16.6
327.07483	100.0
334.12900	4.1
350.09033	6.3
369.08566	5.4
395.07425	13.7
395.16876	7.0
395.21487	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12814	15.0
55.05511	15.2
56.96562	22.8
57.31417	12.7
67.05518	16.4
69.03426	35.0
69.91662	33.7
69.92101	44.3
70.06582	20.2
79.05465	12.5
81.03425	16.5
83.04967	40.5
84.08140	47.1
85.02905	53.8
85.06588	10.6
91.05477	34.1
95.04969	31.5
97.02887	28.4
98.97557	19.8
107.04942	97.9
111.04443	49.1
116.98563	18.8
119.04926	36.8
120.08087	26.6
122.06001	18.7
127.00054	20.5
127.03940	19.8
129.05434	13.0
135.04385	30.8
137.05946	26.0
139.03882	36.9
146.99661	19.1
147.04404	35.0
152.04907	13.3
153.05441	20.8
163.03905	100.0
173.34949	15.8
174.05522	34.7
176.07111	23.4
179.07019	41.6
202.04979	74.7
219.01768	14.8
220.06007	26.8
237.02956	20.7
334.49188	13.3
394.14984	13.9
394.24826	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.2
56.96552	26.0
57.03418	13.4
58.62871	9.4
61.02915	12.8
65.03943	10.2
66.89737	7.2
69.03414	49.6
70.06568	26.4
70.20219	38.6
71.04978	14.0
71.28040	7.6
73.02915	9.6
79.05505	13.7
81.03415	26.9
83.04966	16.1
84.96038	7.5
85.02896	84.2
87.04430	10.4
87.65992	7.1
89.03915	13.9
91.05477	19.0
95.04951	20.0
97.02882	44.4
98.06063	10.4
98.97585	64.7
101.75074	7.7
103.05452	9.9
107.04968	78.3
109.02857	10.8
111.04419	27.9
116.98618	59.3
119.04938	25.1
120.08084	7.7
121.06499	19.9
122.09706	9.0
127.03912	26.6
128.98570	19.2
134.03577	13.7
134.99620	37.7
135.04378	26.5
136.07513	13.2
137.05975	100.0
137.56390	7.6
145.02879	10.7
146.06003	13.2
146.99620	14.3
147.04413	63.6
149.04646	11.3
149.05905	14.8
153.05452	17.0
158.99631	12.5
159.04361	10.2
159.06432	8.3
161.01283	9.9
162.03050	13.8
163.03879	36.7
166.07253	37.6
166.60638	7.5
167.07014	27.6
174.05568	9.3
176.07039	13.3
177.00711	31.7
177.05470	29.3
179.07011	44.5
181.15762	8.2
184.13213	15.6
185.04323	10.3
197.08159	9.3
202.05022	31.0
202.14299	10.2
214.04892	7.6
219.01755	21.6
220.06006	19.1
223.05440	34.3
223.85144	9.0
232.05954	31.9
232.11856	8.8
234.56082	9.8
237.02762	43.9
295.04605	10.3
295.07620	40.5
302.34958	8.8
304.08090	26.0
371.42935	9.5
394.11774	14.7
394.16583	13.2
394.34711	14.8
395.09149	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.05510	9.9
57.03434	5.7
57.07074	39.9
59.05001	1.1
67.05502	20.8
68.11405	1.4
69.07063	11.3
69.29622	1.6
69.30027	14.1
71.04966	1.3
71.08630	27.5
73.10127	1.4
79.05481	12.0
81.07050	31.3
83.08617	13.0
85.06549	1.7
85.10188	17.5
90.35797	1.4
91.05468	11.3
93.07030	20.0
94.01798	1.3
95.04954	14.1
95.07983	1.9
95.08601	38.4
97.06513	2.3
97.10176	6.1
98.21632	2.5
98.98463	67.0
105.07030	24.7
107.08589	14.9
109.06496	3.3
109.10152	18.0
111.08104	1.8
116.99516	4.2
117.07006	4.7
119.08586	20.6
119.09381	2.3
121.06510	4.6
121.10134	10.4
123.08088	2.1
123.11681	6.3
128.06209	3.0
129.07022	3.4
130.07832	1.8
131.08548	9.9
133.10120	12.4
135.11681	4.8
137.13261	3.3
141.06898	1.4
142.07800	8.0
143.08553	8.9
144.09322	3.1
145.10112	15.3
147.08037	1.5
147.11705	5.4
151.14867	1.5
155.01035	100.0
155.08527	3.9
156.09372	2.0
157.10147	11.1
158.10933	3.1
159.11703	13.5
161.09650	3.9
161.13252	2.6
168.09325	2.0
168.17534	1.6
169.10124	5.5
170.10861	1.4
171.11699	7.1
173.13284	3.2
175.11320	1.6
175.14865	4.0
179.08643	1.5
179.92488	1.7
181.10126	4.1
182.10912	1.9
183.11700	4.8
185.13277	3.5
187.11200	2.3
187.14859	3.3
195.11694	2.8
197.13312	5.9
199.14821	1.5
207.11739	2.2
209.13257	4.3
211.11298	2.0
211.14847	2.7
213.16335	1.7
221.13155	1.7
235.14854	2.3
239.23683	3.8
253.15878	1.7
393.28052	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.188
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
50.65027	0.5
53.51347	0.5
59.53290	0.5
62.78361	0.4
67.05498	0.9
68.17616	0.4
68.36655	0.4
69.33036	1.3
69.33440	3.8
69.66218	0.5
78.47361	0.5
79.05508	0.6
81.07046	1.2
84.90226	0.5
91.05482	0.7
93.07071	0.6
95.08578	0.6
98.20808	1.2
99.31937	0.5
100.15701	0.4
100.96037	0.5
108.34134	0.5
109.10127	0.6
116.01682	0.8
119.08517	0.8
121.10072	0.5
161.09584	0.6
162.02255	1.5
215.80811	0.5
218.40578	0.4
253.38300	0.5
393.18820	100.0
394.19037	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41403	31.0
70.70415	100.0
116.98608	37.7
118.34438	27.5
121.50814	30.1
142.22377	33.3
200.29362	32.9
393.05429	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66947	0.3
52.79246	0.3
53.03942	0.3
55.01846	0.4
55.05494	0.5
65.70865	0.3
66.64854	0.3
67.05497	0.6
68.05024	2.1
69.03398	0.6
70.06566	1.3
71.04975	0.3
71.46323	0.4
71.46666	0.5
79.05486	0.6
81.03384	0.8
81.07051	0.4
85.02908	0.4
86.09688	1.0
91.05454	1.3
93.07048	0.7
94.06575	0.3
95.04928	0.4
95.08614	0.5
97.02878	0.6
98.97589	0.4
107.04940	0.3
109.10069	0.5
119.08561	0.4
120.08102	0.7
124.05013	0.7
127.03913	0.8
129.10196	0.4
130.04974	0.6
133.10094	0.3
136.07570	0.3
140.03438	0.8
147.06665	0.5
147.09084	0.3
148.05040	0.6
149.04590	0.7
166.07225	0.6
171.06651	0.5
172.06026	1.0
189.06410	0.7
189.10072	0.4
191.08148	0.4
201.06490	1.7
202.07237	2.2
203.08022	1.9
204.08784	6.7
213.09111	0.4
214.07262	0.5
215.08003	2.1
216.08784	100.0
217.09505	3.8
218.10344	5.0
225.06430	11.5
225.08588	0.7
226.07227	4.0
227.08008	1.2
228.08778	1.1
229.09438	0.7
230.10347	9.9
231.05000	0.3
240.08780	56.9
241.09421	3.1
242.06653	0.5
246.09856	6.4
254.50868	0.3
255.09885	0.8
256.08179	0.5
258.09805	2.3
268.08267	4.6
272.11383	3.9
283.09387	1.3
286.09558	0.5
300.10883	52.9
301.11285	1.5
311.08878	1.0
313.05698	0.3
315.11887	0.7
317.13495	0.5
333.13052	2.9
343.11572	2.1
361.12573	5.0
375.14175	4.2
376.14621	0.3
393.15118	19.3
393.19064	0.8
394.16049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66686	2.2
54.49184	2.3
56.96563	17.5
67.05487	3.2
71.58350	4.4
71.95272	2.3
79.05444	2.3
79.63559	2.0
81.07058	3.7
84.96022	3.1
87.12439	2.2
105.07055	3.0
106.07351	3.9
128.98619	7.8
133.69424	2.2
146.99634	14.3
148.00401	7.4
161.01213	3.2
165.00706	3.4
166.01463	2.6
189.04326	6.6
197.01282	2.5
199.06392	2.8
201.04382	3.0
201.07988	2.8
203.05927	3.8
215.02249	8.4
217.07498	8.3
227.05855	4.7
229.07513	6.1
239.05975	4.2
240.06645	3.1
245.06940	8.9
247.08463	7.3
257.06955	20.2
258.07745	16.2
275.07971	8.5
276.08743	13.5
280.08884	2.6
309.17438	7.1
333.17352	10.5
351.18423	37.2
352.18729	3.7
369.19501	100.0
370.19943	3.5
387.20493	16.0
392.20978	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49219	0.6
54.23923	0.8
55.01860	0.8
55.05487	1.2
56.05016	1.0
56.96554	0.8
57.03406	2.8
58.06591	1.5
61.02916	3.3
67.05480	1.9
69.03087	0.8
69.03425	11.4
69.07034	1.9
69.24567	2.4
69.24989	5.1
70.06593	3.3
71.04959	2.4
72.08141	1.0
73.02901	1.3
74.06050	1.7
78.84904	0.6
79.05470	1.8
81.03408	3.4
81.07056	6.7
82.06567	1.2
83.04939	0.9
83.93915	0.7
84.04469	1.7
84.08129	2.0
85.01084	0.8
85.02901	16.0
87.04447	2.1
91.03938	1.3
91.05463	1.3
93.07026	2.3
95.08601	4.9
96.08115	4.0
97.02885	7.4
98.09662	2.0
98.20652	0.8
99.04457	1.0
100.07555	0.7
101.02356	1.0
105.01804	0.6
105.11980	0.6
107.08572	1.5
108.08131	1.5
109.02855	2.6
109.06481	0.9
109.10117	0.9
126.03721	2.9
126.09181	0.9
127.03919	4.5
132.71599	0.6
135.11703	0.8
144.04776	7.9
145.02847	0.8
145.04929	1.6
149.02283	0.7
149.13188	0.7
163.03876	2.8
166.12291	1.2
166.15919	3.3
176.14299	1.8
177.12708	0.8
194.15398	32.2
194.34045	0.7
210.14896	0.8
212.16438	26.7
230.17496	100.0
231.17828	1.5
237.00751	0.8
254.17386	1.4
255.01700	0.8
312.14432	0.6
356.20737	1.2
374.21655	1.2
392.22757	59.7
393.22977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01876	10.5
55.05514	14.9
57.03445	4.5
57.07088	14.8
57.50696	2.7
60.09366	2.7
63.14648	2.4
63.39975	2.8
64.01170	2.9
67.05493	3.0
69.07067	32.3
71.08616	10.6
81.03425	9.4
81.07077	5.1
83.08625	19.1
85.10188	4.3
91.05490	4.4
93.07015	3.5
93.25513	3.5
95.08604	8.4
97.10188	10.5
98.20739	7.6
107.08604	3.2
109.02858	14.0
109.10148	6.7
111.11705	6.7
115.03875	6.4
127.03916	100.0
127.04811	5.9
139.81946	3.0
141.05447	5.9
149.02356	7.8
154.81067	2.9
169.08640	6.9
183.10159	11.1
195.10165	7.2
239.16373	4.1
253.18042	4.3
265.18024	3.4
296.65515	3.2
391.31836	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74367	0.9
55.05510	1.5
57.74035	0.9
59.19818	0.8
67.05503	1.3
69.07072	1.1
69.88883	2.6
69.89297	3.0
70.06592	1.4
70.55869	1.0
79.05467	1.1
81.07039	2.6
90.49689	1.0
91.05518	1.1
93.07034	1.4
95.08625	1.8
107.08588	1.2
118.87360	0.9
119.08655	0.9
123.08069	1.1
130.07707	1.0
131.08586	1.3
132.10185	1.1
145.10138	1.4
149.02390	4.7
193.29182	1.2
221.18336	1.0
240.58694	0.9
257.12613	0.9
289.47986	1.0
329.32620	1.6
391.24564	100.0
392.24741	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.05481	9.0
57.07046	4.1
67.05498	14.6
69.03386	2.6
69.07036	7.5
69.75719	7.5
69.76130	8.4
70.06564	3.3
75.57824	2.4
79.05488	18.5
80.62460	3.3
81.07053	20.3
85.06512	3.4
91.05484	17.0
93.07035	24.2
95.04978	25.2
95.08620	13.1
95.18458	2.9
97.06530	3.8
103.05486	3.0
105.06425	2.9
105.07034	39.6
107.04775	2.6
107.08601	13.6
109.06477	7.4
109.10111	6.1
115.05399	2.9
117.06969	7.5
119.08566	28.4
121.06456	7.2
121.10119	15.4
123.07999	3.6
129.06981	5.1
131.08522	10.5
133.10037	8.3
135.08044	3.7
135.11626	3.5
141.06917	3.5
142.07706	12.5
143.08560	15.3
144.09206	4.4
145.10129	26.8
147.08040	4.1
147.11577	7.5
149.02325	20.1
149.09552	3.0
155.08493	9.1
156.09241	6.4
157.10110	18.0
159.08014	3.9
159.11610	11.5
161.09502	5.1
165.06874	3.4
167.03282	3.6
168.09213	3.8
169.10120	14.8
171.11594	10.5
173.09447	5.0
173.13213	6.5
176.11499	2.8
179.08609	6.8
180.09273	4.7
181.10045	9.1
183.11592	8.8
185.09631	3.9
192.09241	4.2
193.10016	7.5
194.10893	3.1
195.11577	7.1
197.13139	11.5
199.11104	6.4
201.85875	2.7
205.09935	3.6
206.10764	3.3
207.11559	9.5
209.13167	8.2
219.11583	4.4
220.12410	4.4
221.13063	6.3
223.14661	8.3
231.11674	4.3
233.13080	7.0
233.15218	5.0
235.14700	5.0
237.12726	3.1
237.16190	3.8
247.14682	4.2
249.16275	5.2
251.14497	2.8
251.17850	5.2
261.16342	4.5
263.17908	3.9
271.14731	2.7
282.19687	4.3
329.32062	3.3
373.25192	6.8
391.24646	100.0
391.35727	12.3
392.25201	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.96555	0.9
57.07068	0.9
64.79341	0.8
66.04715	0.8
67.05496	1.4
69.07043	1.5
70.06578	1.3
71.08600	0.9
71.32143	1.7
72.35411	0.9
73.40203	0.7
79.05478	1.4
81.07028	1.1
91.05466	1.8
93.07016	2.4
95.08594	1.8
105.07025	1.3
107.08592	1.0
113.34115	0.8
117.07027	0.9
118.66601	0.8
119.08556	1.0
121.10130	1.0
145.10136	1.2
149.02306	5.1
158.68309	0.9
163.67960	0.9
179.94571	0.9
248.89214	0.8
286.61469	0.9
329.32550	1.9
368.17929	1.9
391.24518	100.0
392.24734	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
57.07077	0.8
67.05486	0.9
69.29879	8.7
73.57797	0.7
79.05476	1.0
81.07047	1.1
82.94552	1.6
85.70110	0.7
93.07058	1.7
95.04958	0.8
105.07027	0.9
107.08588	1.1
140.29355	0.9
149.02327	3.3
163.02739	0.9
168.38214	0.7
258.07281	0.9
270.72980	0.7
321.16681	1.1
350.17209	2.7
368.18124	1.5
391.24518	100.0
392.24771	2.7
412.78036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
56.96554	2.6
57.07061	1.9
58.02715	0.9
67.05486	2.2
68.09637	0.9
69.96056	3.6
70.06580	3.0
71.06936	0.8
79.05502	0.9
81.07035	1.8
83.08591	0.9
86.24358	0.8
88.07613	3.4
91.05447	1.3
93.07019	1.2
95.05016	0.8
95.08562	0.8
98.20612	1.0
102.09184	2.2
103.09443	0.7
105.07008	1.4
107.08576	0.9
109.10128	0.9
131.72409	0.8
133.10141	0.8
146.99623	0.9
149.01285	0.7
149.02356	4.0
203.02182	0.8
203.05743	1.1
229.07518	0.9
248.08916	1.0
284.29456	2.0
285.29791	6.4
288.16733	0.8
321.17023	1.4
350.17206	3.9
367.17932	1.5
368.18198	13.7
386.19324	1.9
390.35681	1.9
391.24512	100.0
391.35867	16.6
392.24878	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05474	0.7
56.05033	1.6
57.03450	0.7
61.02916	0.9
67.05491	2.4
69.03410	1.5
69.04559	6.0
69.07096	0.6
71.04992	0.8
71.58773	0.9
76.72236	0.7
79.05505	1.3
81.03402	0.9
81.07033	1.0
83.05044	0.6
84.04465	0.7
85.06562	0.6
86.09712	6.6
91.05495	1.3
93.07037	1.3
95.04989	0.8
95.08609	1.2
97.04002	0.6
101.07130	4.0
105.07044	1.3
107.08570	0.9
107.10880	0.7
109.02844	0.8
109.10174	1.3
112.03934	1.2
119.08565	0.8
120.08020	0.8
122.05991	0.7
127.03963	1.1
130.06526	100.0
131.06877	2.5
132.04448	22.0
132.08098	1.8
132.10223	2.1
133.10138	0.7
136.07542	0.8
137.05954	1.0
142.06480	0.9
146.06018	3.8
146.85129	0.6
149.02322	2.7
155.06032	2.1
157.07614	13.4
158.04790	1.3
158.06015	15.4
159.09161	3.8
169.07649	1.6
169.10173	0.7
173.07132	6.9
174.05530	3.1
175.08672	8.2
181.07597	2.9
185.07138	5.0
186.05498	2.3
187.08688	2.2
197.07098	5.2
198.10219	1.6
199.08665	3.5
199.10739	1.3
201.06682	0.7
202.04959	0.9
203.08144	6.2
213.06592	2.0
214.09778	1.8
215.08162	3.5
216.11354	1.7
225.06616	9.5
225.12614	0.9
228.13460	1.5
232.10799	12.7
242.09338	3.1
243.07671	33.5
259.62836	0.7
260.10309	11.5
310.15503	1.3
313.11789	0.8
316.16629	3.9
327.17972	0.8
342.06308	0.7
344.16183	1.5
356.15967	5.0
357.26132	0.6
373.18756	2.7
381.69550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79743	0.7
56.05009	1.0
56.59330	0.6
66.15594	0.7
67.05499	1.3
69.03424	1.3
69.04543	4.9
69.07071	1.1
69.11010	0.6
70.06580	0.7
71.57992	0.7
79.05480	1.0
81.03405	1.1
81.07071	1.4
84.33059	0.7
85.02847	0.8
85.04044	0.8
86.09706	6.9
91.05442	1.0
93.07042	1.5
95.04979	1.0
97.06494	1.0
101.07157	3.4
104.05020	0.9
105.06971	1.6
107.08601	1.3
109.02873	1.1
109.10145	1.5
112.03930	1.3
115.05467	0.7
118.12989	0.6
119.08583	1.1
125.09630	0.7
130.06523	100.0
131.06853	2.2
132.04454	21.7
132.08093	1.8
132.10234	1.4
137.06007	0.7
142.06598	0.7
143.10703	0.9
146.06004	3.3
149.02342	3.3
155.06021	2.6
156.04492	0.8
157.07610	13.1
158.06015	15.1
158.73050	0.8
159.06439	1.1
159.09221	3.6
169.07643	2.5
170.05949	0.8
173.07129	5.0
174.05531	2.5
175.08687	7.9
181.07640	3.6
185.07074	4.5
186.05530	2.0
187.08676	2.6
197.07100	6.6
198.10292	1.4
199.08707	3.2
199.10706	1.2
203.08199	5.2
213.06602	1.2
214.09775	2.8
215.08234	4.1
216.11331	1.4
225.06570	8.0
228.13293	0.8
232.10797	12.3
242.09203	4.0
243.07654	32.5
244.07947	1.0
260.10349	9.8
270.12540	0.8
282.15997	0.8
310.15436	1.0
316.16519	4.5
344.16302	1.3
356.16022	3.2
359.12241	0.8
373.18719	2.3
392.55624	1.0
408.46332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16203	1.1
56.96566	21.9
64.28004	1.1
68.67702	1.1
71.57776	1.9
71.95263	1.7
74.97618	1.5
76.18760	1.1
79.05493	11.0
87.39596	1.1
91.05490	2.1
97.96824	1.1
98.97591	1.4
105.07079	1.4
107.08572	3.0
110.97567	1.9
116.98595	1.7
128.98610	4.6
146.99635	7.8
155.03738	1.1
165.00786	1.5
173.04919	3.3
175.02861	1.2
185.04919	2.2
187.02861	1.2
189.04358	3.2
191.05960	2.4
191.41193	1.2
197.04790	1.3
199.06467	2.3
201.04256	1.3
203.05887	4.2
217.07501	3.5
225.04399	4.9
225.07881	1.7
227.06142	1.5
229.07391	1.3
243.09059	5.6
247.08424	1.3
255.08929	1.5
261.10107	4.5
268.07230	2.0
268.09854	1.9
286.11023	1.3
331.15820	38.0
349.16876	100.0
350.17157	2.3
367.17871	10.1
372.18536	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
54.44267	0.9
55.01856	1.6
55.05497	2.0
56.96562	5.3
57.03420	3.4
60.04514	1.3
61.02914	3.6
66.83702	0.8
67.05487	1.5
68.05003	0.9
69.03432	15.8
69.07058	2.5
70.06583	5.1
70.81908	2.1
70.82282	1.9
71.04993	1.9
72.08160	2.0
73.02901	3.2
74.06080	2.2
75.56852	0.9
75.75497	0.8
79.05495	5.7
81.03419	5.7
81.07046	2.3
82.06547	1.6
84.04486	3.0
84.08146	4.4
84.96020	1.5
85.02898	21.9
85.08453	0.9
86.09705	2.6
87.04453	3.2
88.66851	0.9
89.03876	1.4
91.03969	1.0
91.05479	2.2
93.07043	2.9
94.06557	3.2
95.04968	2.3
96.04504	0.9
96.08103	4.5
97.02891	11.1
98.97575	6.4
99.04446	2.6
105.07037	2.0
107.04955	58.1
107.08601	1.6
108.05318	1.7
108.08127	2.0
109.02879	3.2
109.06463	1.2
110.07178	1.8
110.97555	1.2
116.98634	7.3
117.03343	1.1
119.01859	1.3
119.04911	1.1
119.08662	0.9
121.06472	2.3
122.06005	1.6
122.09641	1.9
123.04372	1.2
124.07581	7.8
124.11233	1.4
127.03899	6.0
128.98553	1.3
129.10257	2.6
131.01903	1.0
134.99651	4.1
135.04408	1.4
136.07549	2.4
137.05989	2.3
138.09047	1.1
140.07053	5.7
142.08649	3.3
142.12277	2.4
143.00168	0.9
145.04985	2.1
146.99637	3.0
147.03282	1.1
147.04340	1.6
147.11362	1.0
148.11154	1.1
150.05515	1.8
150.09119	1.2
150.12776	17.7
152.07080	1.5
152.14320	4.0
158.30956	1.0
158.99730	2.0
161.01218	2.1
163.03931	6.6
164.04407	1.0
164.07068	1.7
164.10698	1.2
164.14360	2.9
168.13834	58.1
177.00739	4.8
182.08127	1.3
182.11844	1.2
192.06595	2.5
192.13841	4.4
196.09671	1.6
208.13460	1.1
210.07593	2.2
210.14880	51.6
211.15179	1.2
217.03705	1.0
219.01782	2.2
228.03241	1.3
228.08603	6.0
228.15936	65.9
229.16249	1.1
234.99208	0.9
237.02798	3.4
289.07541	1.1
306.56058	0.9
309.08774	1.5
330.19077	7.7
372.20068	2.8
390.21231	100.0
391.09921	1.1
391.21533	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	21.2
57.07069	5.1
58.06602	1.5
66.25333	1.3
69.07069	1.5
69.24944	14.1
70.06593	13.8
71.08636	1.9
71.49765	1.1
71.95269	2.1
74.97617	1.8
81.79539	1.4
88.07626	17.3
97.44086	1.4
102.09172	10.7
108.56165	1.2
110.97585	2.4
119.13850	1.3
128.98605	4.9
146.99628	8.6
161.01242	3.0
165.00691	1.7
171.03290	1.6
174.02165	1.4
185.04904	3.3
187.02818	3.2
187.99915	1.7
189.04350	3.7
191.05922	2.0
199.06419	3.9
201.04453	2.0
201.07997	1.5
203.05879	12.1
205.07501	1.7
215.05919	1.2
217.07454	10.1
221.06981	1.8
223.02870	2.2
229.07481	12.8
237.04283	1.8
247.08542	11.1
252.09042	1.8
255.05460	1.4
257.07083	1.7
257.10248	1.4
258.07895	1.5
262.08899	1.4
265.07159	1.4
267.09094	2.1
279.08987	1.8
280.09918	3.5
284.29477	32.1
285.10117	3.1
297.10077	2.4
298.10797	2.1
305.17911	3.2
323.18875	4.2
331.15759	10.0
349.16843	33.6
367.17914	100.0
368.18195	2.1
372.18280	2.2
372.34576	2.7
385.18854	12.4
390.19351	15.0
390.23453	12.5
390.35754	63.1
391.24405	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92816	3.5
56.96564	50.1
67.05489	8.0
69.07050	3.4
71.32446	9.2
71.95253	5.7
79.05478	11.4
81.07039	4.1
84.65585	3.6
91.05466	7.1
95.08603	4.0
105.07034	5.4
107.08620	4.5
116.98543	3.7
128.98608	6.8
146.99687	5.2
156.19275	3.0
158.41017	3.4
168.47498	3.9
225.08069	3.7
243.09082	5.9
255.08992	3.8
261.10031	6.3
277.11203	13.4
317.60391	5.6
331.15738	53.2
349.16833	100.0
350.17004	4.7
372.18353	19.1
390.22787	4.7
393.05225	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01841	0.6
56.45319	0.6
56.96579	0.8
60.04510	1.5
67.05508	0.9
68.05038	1.0
69.03416	3.4
69.07050	1.0
70.06590	1.5
70.78067	1.6
73.02919	1.0
79.05495	7.9
80.05000	0.8
81.03416	3.2
81.05801	2.2
81.07061	5.6
82.02951	0.9
82.06586	0.9
84.04503	2.4
85.02897	4.0
86.09708	1.5
87.00839	1.0
89.03914	0.8
91.05478	1.1
94.06573	1.2
95.04955	2.2
96.04498	2.2
96.08124	8.4
97.02902	1.7
98.97593	1.4
99.04459	0.7
102.05535	0.6
105.01833	0.7
105.06998	0.7
106.06538	0.7
107.04953	100.0
107.08603	0.8
108.05307	1.7
109.02912	2.0
109.06529	0.6
112.07577	1.0
116.98603	1.2
122.06007	0.7
124.07588	57.4
125.07915	1.1
127.03918	2.4
133.06636	1.0
134.99695	1.0
142.08630	25.5
142.09746	1.3
143.09030	0.8
145.02899	0.9
145.04973	1.2
159.03099	0.8
163.03917	1.7
210.11261	1.1
210.14975	0.7
219.01686	0.7
219.72105	0.6
225.06972	0.7
228.12312	2.0
228.15955	2.1
237.02898	1.0
281.46777	0.6
323.10025	1.2
341.67841	0.6
381.07349	0.6
390.13538	1.4
390.17758	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90172	0.3
53.03923	0.9
55.01850	0.4
55.05504	1.6
57.03416	0.5
63.49771	0.3
65.03915	0.4
67.05492	1.3
68.05014	0.4
69.03412	1.4
69.07052	1.1
69.58976	1.9
69.59386	0.7
70.06583	1.8
71.04965	0.4
75.73801	0.3
77.03883	0.3
79.05482	6.9
80.04996	2.3
81.03400	1.4
81.05338	0.5
81.05786	5.4
81.07046	4.9
82.06560	0.9
83.04927	0.5
84.08148	0.4
85.02891	1.7
86.09686	1.0
87.00800	0.7
91.05468	2.0
92.05782	0.4
93.07034	0.9
94.06549	1.4
95.04940	1.0
95.08598	1.0
96.04490	0.4
96.08121	20.8
97.02875	1.1
97.06499	0.8
98.09652	0.4
105.07024	0.7
105.34612	0.4
106.06541	3.1
107.04934	2.3
107.08577	0.8
109.02882	0.8
109.06531	0.5
114.09177	0.4
115.03928	0.4
116.98598	0.6
119.08588	0.5
121.10114	0.5
124.07575	100.0
125.05978	0.9
125.07925	1.4
127.03898	1.0
128.07068	0.8
131.08560	0.3
133.10016	0.4
142.08601	1.2
145.04910	0.5
147.07918	0.3
150.11757	0.3
189.05418	0.4
210.14915	0.7
222.18512	0.8
228.12318	1.9
228.15955	0.6
248.20093	0.8
274.25143	0.4
282.20654	0.4
292.26349	0.5
294.20737	1.4
307.99908	0.4
312.21667	1.4
336.25284	0.8
354.22540	0.5
354.26373	0.8
372.23569	1.6
372.27478	1.1
390.18127	8.8
390.24609	2.4
390.28946	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
65.84517	0.5
69.79457	1.5
69.79868	2.2
71.52680	0.6
79.05509	1.3
90.07896	0.5
95.04925	0.8
107.04951	100.0
108.05277	1.3
114.69167	0.6
124.07603	3.1
126.03589	0.5
132.07002	0.5
173.55415	0.5
248.08975	0.6
313.44168	0.7
338.37280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
54.98488	0.6
55.01870	1.2
55.05505	1.9
57.03412	1.2
58.06586	0.7
60.04524	1.5
61.02893	1.0
67.05498	3.3
68.04995	0.9
68.99794	1.0
69.03429	7.3
69.07063	6.1
69.41295	0.7
69.83000	1.1
69.83418	3.9
70.06590	4.7
71.04975	0.8
71.08629	0.8
73.02922	0.8
74.06079	1.5
79.05485	10.5
81.03412	4.1
81.05791	0.8
81.07049	2.7
84.08134	2.3
85.02904	10.9
86.02440	0.8
86.09702	1.8
87.00828	3.8
91.05485	2.3
93.07047	1.6
95.04956	3.9
95.08604	1.7
96.08126	2.8
97.02904	4.9
97.06509	1.7
98.09690	1.7
98.21428	1.2
99.04465	3.0
103.03918	1.2
103.05473	3.3
104.05808	1.5
105.01855	4.9
105.07034	1.7
107.04952	100.0
107.08615	1.7
108.08122	1.2
109.02876	5.0
109.10161	0.9
110.09628	1.1
114.09197	0.8
119.08578	1.3
120.08128	0.8
121.06535	1.3
121.10143	0.8
123.04408	1.0
124.03969	1.7
124.07586	12.1
127.03908	7.6
131.04926	3.6
131.08562	0.7
132.05252	1.7
133.06505	1.0
137.05952	1.3
137.43408	0.7
142.08647	2.6
143.03430	1.3
143.06960	0.8
145.04961	2.6
149.06003	1.0
153.05475	2.8
154.08699	0.9
158.08157	1.0
159.02892	2.0
161.06056	1.6
163.07535	2.5
164.07899	1.1
184.09677	4.1
189.03911	1.9
197.06067	0.8
208.09677	1.3
231.04987	1.7
250.10773	1.9
250.21684	1.3
274.25269	1.8
276.23154	0.9
278.42917	0.8
292.26297	1.2
315.31653	0.7
336.25400	1.5
349.11633	1.2
354.22589	1.0
354.26480	1.8
372.23828	2.7
372.27628	1.8
390.24728	3.8
390.28870	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2678
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03943	12.9
54.56705	6.5
55.01862	8.6
55.05501	21.0
57.03418	8.0
67.05499	35.5
69.07045	21.7
71.05000	47.2
71.58698	10.4
71.74764	7.1
79.05474	20.1
81.07053	41.7
83.04939	9.2
83.08589	9.5
91.05475	29.4
93.07027	32.1
93.17525	8.3
95.08582	20.5
95.60023	6.5
97.10146	8.9
105.07025	37.2
107.08562	10.1
109.10150	9.8
117.06960	13.5
119.08572	19.1
121.06508	7.4
121.10124	14.1
123.08043	16.7
128.06238	8.0
131.08560	18.7
133.06439	7.7
133.10094	18.3
135.08150	11.8
137.05998	11.1
145.06458	15.1
145.10056	23.8
147.08142	9.1
147.11632	8.0
149.09569	8.7
157.10124	11.2
159.08055	17.3
159.11702	14.1
161.09608	9.1
167.08655	7.7
171.11555	9.8
173.09605	15.3
187.11176	18.6
235.28973	7.4
266.65063	7.7
283.20560	9.4
285.18497	27.5
301.21646	36.1
303.19540	12.8
343.26508	14.3
353.24844	19.4
369.05014	7.9
371.25815	100.0
382.98685	6.9
386.22696	7.8
389.22372	8.9
389.26743	24.2
389.31522	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
50.89074	28.7
71.04990	46.4
71.39855	31.4
73.81795	33.0
75.36500	28.9
85.02895	80.0
85.06529	35.7
86.09711	94.9
91.05455	89.7
93.07018	48.4
95.04948	38.1
95.08645	32.6
98.21522	65.1
99.04440	53.2
101.97512	34.5
105.06982	38.0
107.04951	56.0
107.08586	78.0
109.10168	64.1
119.08587	43.2
121.10143	47.7
127.03869	35.1
133.10216	40.6
135.08118	32.2
135.94913	30.6
149.09642	66.9
183.10269	29.4
191.14308	63.6
209.15373	100.0
227.16246	52.8
375.17737	31.7
389.13864	43.4
389.26852	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64513	8.6
55.05506	10.1
55.45879	8.7
67.07361	8.4
69.03402	19.3
69.07054	11.6
69.32639	100.0
73.64851	8.7
79.05484	13.6
81.03377	10.6
81.07042	13.4
84.08171	11.3
85.02892	26.2
86.09715	9.7
91.05496	13.0
93.07034	19.7
95.04945	17.0
95.08595	22.9
96.04367	10.4
97.01123	12.0
97.02867	11.9
98.21526	21.4
103.05447	19.6
105.07009	11.5
107.08581	11.5
109.02866	23.1
121.10167	10.0
124.02147	21.6
125.09607	14.0
127.03916	14.7
131.04898	41.7
135.11699	10.9
141.09294	8.9
149.09549	23.9
154.62764	8.8
163.07521	12.7
184.09668	16.4
191.14259	17.3
209.15474	27.6
210.13527	9.8
250.10817	10.7
255.11169	16.7
257.09042	11.7
346.19623	9.9
389.17462	24.9
389.26904	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
52.75013	13.0
57.03432	16.6
62.75292	13.8
67.05504	32.5
69.03422	36.6
69.07070	34.2
69.46709	100.0
69.47111	28.5
70.06582	14.2
71.04995	23.2
72.19518	13.1
76.07618	12.4
80.29462	11.5
81.03437	25.0
81.07053	16.2
83.05006	17.7
84.57169	11.5
85.02920	67.3
85.06563	16.1
85.95139	11.1
86.09708	33.0
91.05482	18.3
93.07033	29.4
95.04970	24.9
95.08600	25.1
97.02909	28.2
97.06552	17.4
103.05441	14.4
105.07016	17.1
107.08601	29.9
109.02867	32.0
119.08632	12.2
121.10160	16.4
123.04385	17.8
124.02185	28.3
124.04034	18.4
127.03927	33.8
131.04984	65.3
133.10146	14.3
142.03200	20.2
142.08667	21.1
145.04918	25.8
149.09634	29.9
151.07497	12.9
163.07527	27.0
163.99873	12.8
167.07094	16.9
181.04993	13.8
184.09705	38.6
191.14374	15.0
208.09453	13.7
209.15421	34.0
227.16460	21.6
231.04980	13.2
250.10698	16.3
255.11360	20.1
381.92984	14.6
389.17557	31.1
389.26440	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01861	2.7
55.05505	10.5
56.96572	3.0
57.03439	3.6
61.02928	5.9
67.05494	10.2
69.03418	18.6
69.07069	8.1
69.59871	19.6
70.06595	9.8
71.05000	2.8
72.08144	12.3
75.68678	2.5
79.05490	17.6
80.05027	2.8
81.03429	12.5
81.05820	3.8
81.07048	16.2
83.04984	11.2
83.08589	3.8
84.04518	3.9
84.08149	5.6
85.02898	26.7
85.06542	6.1
86.03240	2.7
86.09705	17.3
87.04440	2.5
91.05455	21.4
93.07044	14.7
95.04983	26.2
95.08601	16.5
96.08157	19.0
97.02888	10.8
97.06531	6.3
99.04459	5.9
103.05450	9.5
105.07056	8.7
107.04955	10.6
107.08565	16.2
109.02885	4.7
109.06499	9.1
109.10173	7.0
111.08099	2.6
115.03996	2.6
115.07568	7.8
119.08581	4.4
120.42093	2.5
121.06478	4.0
121.10171	10.0
122.05978	3.0
123.05530	3.5
123.08070	15.9
124.07586	100.0
125.06048	4.1
125.09638	6.3
127.03930	9.6
128.87079	2.5
129.10237	4.0
131.04955	11.3
131.08559	5.5
133.10130	6.9
134.99620	2.6
135.08084	7.4
136.07584	4.0
137.05927	3.8
137.09653	2.8
141.05435	14.3
141.06575	13.2
145.05014	2.9
149.09541	3.8
149.13271	3.4
151.07504	3.5
153.09090	28.0
163.02682	2.7
163.07539	8.3
163.11203	2.9
167.07024	4.4
170.63649	2.6
171.10176	4.1
173.13202	9.3
177.00842	2.9
179.14290	10.1
189.12395	3.4
191.14349	10.6
192.10156	3.2
193.04926	2.9
197.15366	6.8
209.11632	2.9
209.15402	25.6
227.16383	17.4
228.12320	4.2
287.11649	3.5
345.15167	14.6
389.13977	17.7
389.18188	84.2
390.18030	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20923	10.6
63.89859	10.9
67.14490	11.8
71.22295	14.2
75.87082	11.5
79.43653	10.1
84.04504	19.2
84.08140	38.3
85.02878	11.9
86.09708	12.2
100.56232	10.4
124.07592	33.8
129.10208	21.8
132.81453	10.6
186.72101	11.2
269.12393	12.1
278.11365	12.8
378.20053	11.1
389.08035	100.0
389.16666	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88029	1.8
53.00544	1.9
53.03939	2.9
55.05498	2.7
56.57071	2.0
57.86632	1.9
61.02920	2.4
67.05492	2.8
69.03420	4.5
69.07060	2.9
69.53020	16.6
70.06583	8.1
72.08138	3.3
74.06079	2.2
76.60663	2.2
79.05473	7.6
81.03375	2.1
81.07044	5.5
83.04969	2.9
84.08168	2.3
85.02889	10.6
86.09702	21.0
87.00819	2.0
89.06008	2.6
91.05500	2.5
93.07042	7.0
95.04948	7.1
95.08598	4.4
97.02868	3.7
99.08102	2.9
103.05463	60.1
105.07012	3.9
107.04954	48.0
107.08581	2.9
109.02885	3.0
109.10149	3.3
116.98588	2.6
119.08623	3.0
121.06510	4.1
121.10170	2.9
123.08012	3.2
124.07607	12.0
124.08369	1.9
127.03896	4.6
131.04924	100.0
133.06456	2.3
133.10101	3.8
136.07626	3.1
137.05939	2.1
145.05020	2.4
147.04381	2.3
147.11681	2.6
161.05991	3.8
163.07535	58.7
167.07013	5.9
175.07512	3.1
181.05067	3.3
187.07457	2.5
196.08492	2.3
217.75404	2.3
219.13455	3.7
231.04921	2.3
287.05505	7.3
311.09796	2.7
389.13315	3.5
389.17548	5.9
389.26413	8.9
391.16241	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	15.1
57.03440	7.8
58.74490	5.4
67.05506	10.3
69.03423	42.3
69.75573	29.9
70.06583	8.8
71.04985	8.8
71.81882	5.3
73.02930	6.3
74.07520	4.7
79.05466	11.3
81.03405	17.6
81.07049	12.1
85.02899	100.0
87.00844	30.0
91.05499	8.0
93.07046	7.2
94.76402	5.4
95.04953	6.0
95.08618	11.5
97.02879	36.4
97.06524	6.0
97.54691	5.1
98.21534	7.3
99.04445	24.1
99.17680	5.4
105.01869	66.4
105.07028	65.9
109.02878	34.6
109.06540	6.9
113.05589	5.7
127.03894	83.6
131.08536	5.7
133.06396	5.9
137.05989	19.1
138.06317	14.8
139.07507	6.1
145.04968	43.8
159.02863	15.8
159.39409	5.1
167.07040	25.3
168.07430	7.5
173.05968	9.7
181.04941	9.3
189.03810	7.0
231.05017	27.3
251.36348	5.3
271.07211	11.3
273.07242	5.9
274.56226	5.9
285.08832	8.8
324.09738	8.4
328.09311	10.7
339.12302	5.3
370.13834	8.4
370.25534	6.6
388.10983	11.9
388.15338	10.8
388.27124	6.4
390.30478	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01852	1.1
55.05499	2.1
55.99656	0.6
56.05008	1.0
57.03431	0.9
58.51954	0.6
60.04515	1.0
61.02894	0.8
67.05500	5.2
69.03425	5.4
69.07057	1.4
70.06583	2.7
70.87325	1.9
71.04984	1.3
72.08161	1.3
74.06036	1.3
76.01814	0.6
77.03915	0.7
79.05484	8.5
81.03404	2.7
81.07053	5.7
82.06567	1.0
84.08126	3.1
85.02900	10.7
86.09700	0.9
87.00836	4.8
91.05462	3.7
93.07044	4.9
95.04958	2.5
95.08611	3.8
96.08108	2.0
97.02872	5.6
97.06525	0.6
98.09662	1.4
99.04438	1.5
100.07606	1.2
103.05455	3.5
105.01859	10.1
105.07024	100.0
106.07353	2.1
107.04964	1.1
107.08589	1.9
108.08147	0.9
109.02876	2.8
109.06514	1.2
109.10134	1.2
111.04478	0.9
114.09181	0.7
119.08552	2.8
121.10158	1.4
127.03912	9.2
129.07014	1.4
131.04982	0.9
131.08554	1.2
133.10114	1.5
135.11653	1.4
137.06013	2.5
138.06308	1.1
143.08522	1.0
145.04977	6.4
149.06013	1.4
150.06215	0.8
159.07938	0.7
167.07082	1.7
168.07378	1.1
177.05470	1.0
181.04939	1.5
189.03902	0.9
213.09229	1.3
222.10004	0.8
231.04982	2.2
248.23741	6.9
249.06041	2.1
250.21664	4.5
266.24866	1.4
274.21680	2.1
290.24835	1.1
292.22583	4.3
308.25754	1.2
310.23706	8.2
328.24927	3.7
329.11136	1.0
334.23874	3.3
346.25781	1.2
352.24817	22.9
352.29129	1.4
357.10657	1.2
370.25851	13.6
388.15155	0.9
388.19696	1.0
388.26932	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.6
55.01871	9.4
57.63254	4.2
60.03279	3.7
61.02907	7.7
65.16769	4.9
67.05481	7.8
69.03428	41.5
69.35178	47.3
70.06580	8.7
71.04980	5.4
73.02918	4.7
73.23973	4.6
73.82748	4.4
79.05495	11.6
81.03419	32.1
81.07047	10.9
85.02898	100.0
86.06075	6.5
87.00830	33.5
91.05461	9.5
93.07019	9.8
93.40943	3.9
95.05000	6.1
97.02901	25.8
98.06050	4.0
99.04446	14.0
103.05427	6.6
105.01875	47.0
105.07028	68.7
106.07315	5.3
107.04948	8.3
108.04462	5.1
109.02855	26.9
117.07009	6.2
119.08569	7.4
121.10082	6.6
126.05587	4.2
127.03922	58.2
131.08453	5.7
133.06450	4.2
135.11739	4.5
137.05962	14.2
142.08658	5.9
145.04947	30.4
145.06387	6.7
159.02907	16.3
167.07019	18.6
168.07394	6.1
169.07626	8.5
193.07468	5.1
195.05533	7.4
225.06592	5.6
226.14421	4.9
231.04984	20.3
248.07803	8.4
252.07462	5.3
285.08649	8.9
313.07999	11.2
325.84140	4.6
328.09048	7.1
358.13708	6.1
370.10239	16.7
370.25882	5.1
388.10880	9.6
388.15219	9.0
388.19510	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08054	1.2
53.03936	1.5
55.01854	1.6
55.05503	3.2
56.96556	1.5
57.03417	1.3
57.87545	1.2
60.04508	1.3
61.02926	2.4
67.05489	2.8
69.03419	8.0
70.00169	1.2
70.00909	4.5
70.06580	6.7
71.04977	2.7
72.08132	2.9
79.05479	3.9
81.03409	4.2
81.07044	2.3
81.98907	1.3
83.04978	5.2
84.08156	3.0
85.02908	15.0
86.09711	3.1
91.05474	4.0
93.07012	2.3
95.04962	33.7
95.08584	1.3
97.02901	6.7
97.06511	1.7
99.04456	8.7
105.07007	2.6
107.04911	1.6
107.08563	3.0
107.46924	1.4
109.02899	2.1
109.06519	1.6
109.10153	1.4
111.08112	2.3
119.08579	3.3
120.08092	1.3
120.08956	1.4
121.06521	2.1
121.10169	2.6
122.06038	1.5
123.08070	2.1
125.09663	1.9
127.03917	4.6
133.10094	1.4
135.07956	1.7
139.07318	5.6
139.08647	5.7
145.04959	3.7
147.11665	2.9
149.09615	2.4
149.49387	1.2
151.07530	3.2
153.09119	8.8
161.13249	1.6
163.03923	1.4
163.11206	4.3
167.07034	7.4
181.12152	1.5
189.12729	2.6
207.13762	7.6
222.05322	1.3
225.14853	4.4
227.05246	3.4
237.02776	1.3
271.04309	1.8
301.12579	11.2
325.12439	1.6
341.15063	1.9
343.13608	57.8
344.13904	3.8
369.11249	1.6
387.12543	100.0
387.16397	27.5
388.12753	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72489	2.3
55.05508	3.0
60.41301	2.1
62.25719	2.3
68.99788	2.7
69.03442	5.7
69.07062	2.4
70.71639	6.6
74.00751	2.1
79.05481	4.6
80.14075	2.1
80.82274	2.3
81.03414	3.7
81.07066	4.3
85.02893	12.2
87.00822	4.8
89.56289	2.4
105.01855	4.4
105.07032	48.0
109.02846	2.8
110.06116	2.5
115.99784	2.3
119.08555	2.9
127.03917	9.7
137.05913	2.8
138.06285	2.5
140.04939	4.7
147.08060	3.3
154.06503	4.5
155.06018	26.7
159.08011	2.8
167.06027	8.9
168.06807	4.2
169.05396	2.7
169.07610	61.2
170.06004	4.9
170.08035	2.6
179.05984	17.2
181.05028	3.6
182.06017	3.6
182.08371	2.8
183.05537	26.3
185.07106	14.2
193.07605	27.5
194.06027	4.1
195.05537	45.5
196.06238	22.0
197.07104	37.9
198.05528	11.5
207.05470	11.2
209.07159	7.0
210.07965	3.3
210.15065	2.8
211.08546	5.0
213.06596	34.5
221.07101	39.4
223.04996	4.6
225.06572	73.7
229.06119	27.3
237.06551	8.0
238.07346	7.6
239.04456	3.5
239.08148	42.1
241.06148	5.7
243.07629	9.9
249.06461	11.9
253.06155	6.9
255.07639	4.4
257.05609	8.0
265.05981	3.2
267.07642	27.5
269.05557	3.4
271.07123	55.0
277.06027	16.0
285.08734	47.1
286.09094	3.0
295.07111	54.8
313.08160	68.5
324.09860	6.6
328.09262	100.0
328.24725	3.0
329.09506	3.6
331.09238	10.0
342.11102	3.1
352.09406	3.5
370.10345	85.7
388.11359	98.4
388.19312	4.3
388.26938	8.8
389.11728	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
68.02409	9.5
69.03420	29.7
69.69492	67.9
75.85720	9.4
85.02898	41.6
85.06526	9.5
85.82285	8.5
91.05485	9.7
93.07015	10.4
95.08584	25.4
97.02911	10.4
98.21575	9.2
99.70807	8.5
99.71567	7.6
105.07030	10.9
107.08560	12.2
108.67090	8.1
119.08545	8.8
123.08029	26.9
127.03902	10.5
129.62474	8.3
134.48064	9.5
135.11739	10.8
145.10106	17.8
151.07530	28.0
159.08144	8.1
161.13297	10.7
163.11176	100.0
181.12241	39.2
189.12714	18.7
207.13832	46.4
228.19604	8.7
244.97655	8.7
315.01901	8.4
387.16022	32.5
392.57449	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.05776	0.5
53.03929	1.5
55.01872	1.2
55.05499	1.8
57.03431	0.8
59.04992	0.6
65.03931	3.0
67.05505	2.9
69.03419	1.5
69.07066	1.4
71.04995	0.8
71.58319	0.8
79.05499	3.3
81.03403	1.7
81.07055	3.3
82.04181	0.6
83.04981	0.8
83.08591	0.7
84.25187	0.5
85.02906	2.9
85.06543	0.9
86.09702	0.6
91.05479	4.7
93.07036	1.9
94.04192	3.6
95.04978	2.9
95.08612	2.8
97.02954	0.9
97.06525	1.2
101.02457	0.5
103.05494	3.3
105.03393	0.6
105.07027	4.0
106.04150	0.6
107.04964	2.7
107.08587	2.4
108.08105	1.4
109.00217	0.5
109.02900	0.8
109.06600	1.0
109.10133	2.0
110.03637	0.7
111.04425	1.2
111.08060	0.7
115.05449	2.9
117.07014	3.2
118.04226	0.6
119.04990	0.6
119.08560	1.8
121.06508	1.3
121.10125	1.0
122.03631	8.5
123.04460	3.2
123.07999	0.7
124.05227	0.8
125.05989	0.6
129.06975	1.3
131.04947	2.7
131.08597	0.8
133.06496	1.3
133.10133	1.6
134.03584	0.7
135.04422	1.1
135.08044	0.8
135.11649	0.8
136.07588	4.7
137.05975	100.0
138.06363	0.6
141.07039	0.5
142.02664	0.7
143.04959	3.6
143.08548	1.2
144.04472	0.7
144.05661	0.6
145.06497	3.3
145.10088	1.0
147.04381	0.8
147.08043	1.2
148.05188	2.4
149.05949	1.3
151.03902	9.0
151.04980	0.9
153.05420	0.6
155.06012	0.7
157.10068	0.8
159.11781	0.7
161.02406	0.9
161.05980	1.7
161.09628	1.1
163.07538	3.1
165.09196	0.9
167.03444	0.7
167.07034	15.2
171.06543	1.9
172.03969	2.2
173.05984	4.4
175.07576	1.7
177.01868	1.1
177.05502	0.9
179.06950	0.8
181.04950	22.9
187.07658	0.7
189.05354	0.9
191.07031	8.9
191.10698	0.6
193.08556	0.9
201.05417	0.6
203.06956	2.5
204.06563	1.8
205.06589	1.2
205.08624	2.9
205.10336	0.5
207.06488	0.7
215.06989	0.6
217.08614	0.7
219.06421	1.1
233.08138	2.2
235.09598	1.9
251.07323	0.6
254.06203	0.5
269.08017	0.6
293.08224	0.8
305.08109	0.6
307.09491	0.6
309.11349	0.8
311.05530	3.4
315.05200	0.6
327.12802	0.7
337.10855	1.2
341.20959	0.7
351.12329	1.5
355.12158	1.9
357.13290	10.1
369.13226	1.0
387.14435	23.5
387.24979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03922	0.6
55.01859	0.8
55.05508	1.0
55.28286	0.6
64.15086	0.6
65.03917	2.0
65.95864	0.6
67.05483	2.0
69.03414	1.7
69.07052	1.0
69.60767	1.4
69.61183	3.2
79.05489	2.5
79.49361	0.5
81.03410	1.7
81.07040	1.4
85.02901	2.3
91.05464	3.3
93.07013	1.5
94.04176	2.5
95.04961	2.4
95.08581	1.2
97.02850	0.7
97.06531	0.6
103.05488	2.9
105.07018	2.0
106.63236	0.6
107.04933	2.2
107.08584	0.9
109.10136	0.9
110.03649	0.7
115.05441	2.0
117.07024	2.0
118.04201	1.0
119.08578	1.2
121.10127	0.9
122.03652	9.7
123.04432	2.4
125.06045	1.0
127.03932	0.9
129.06813	0.6
131.04919	2.8
133.06497	1.1
133.10124	1.0
135.07968	0.6
135.11714	0.6
137.05975	100.0
138.06285	0.7
141.05502	0.8
141.06889	0.7
143.04892	3.0
143.08459	0.6
144.05704	0.7
145.06477	4.5
145.10129	0.6
147.08105	0.8
148.05167	0.9
149.05975	1.0
149.74411	0.7
151.03909	8.7
155.05992	1.0
160.05215	0.8
161.05994	1.0
161.09595	0.7
161.13159	0.6
163.03864	0.7
163.07593	3.0
165.05493	0.8
167.07047	18.4
171.06503	2.0
173.05962	3.6
173.13458	0.9
175.07578	1.4
175.11186	0.7
179.03374	0.6
181.04944	23.3
181.10066	0.6
187.07597	1.1
191.07016	8.5
193.08681	0.8
195.08076	0.7
197.05910	0.8
203.06975	1.5
205.08545	3.6
221.08186	1.0
233.08067	1.9
235.09613	1.4
251.09134	0.9
283.17026	0.8
305.07648	0.8
327.12970	0.9
337.10779	0.9
351.12442	0.8
357.13275	12.6
357.66241	0.6
363.65726	0.7
369.13519	1.3
387.14456	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91808	1.5
55.01871	3.4
55.05504	3.7
57.03437	3.9
60.77589	1.8
61.02924	4.5
62.79015	1.5
65.03965	1.8
67.05521	4.0
69.03430	13.8
69.07069	2.3
70.06586	7.5
70.71374	6.1
71.04995	3.2
72.08150	1.8
73.06620	1.4
74.06104	1.8
79.05496	4.5
81.03416	7.8
81.07058	5.3
83.04976	8.7
84.08141	3.5
85.02898	24.8
86.09711	6.9
87.04478	2.2
91.05498	4.6
91.37909	1.5
95.04966	7.6
95.08606	3.8
97.02891	8.7
99.04468	5.8
105.07013	5.2
107.08598	5.5
109.02874	4.6
109.06563	2.7
111.04449	2.9
111.08080	1.8
116.07110	3.1
119.08568	4.8
121.06521	2.9
121.10167	4.1
123.04397	4.0
123.08044	4.0
123.11745	2.3
125.09658	2.0
127.03933	5.9
131.08574	2.2
133.10181	2.9
135.11694	2.4
136.07571	2.0
137.05984	2.6
137.09608	4.4
139.03923	2.8
139.07373	4.8
139.08681	9.2
145.05000	2.5
145.06503	1.8
145.10101	3.1
147.08047	2.0
147.11716	2.7
149.09608	3.7
151.03763	1.9
151.07553	6.0
151.11177	2.5
153.12669	2.2
163.03954	3.5
163.11165	10.4
167.07040	38.9
173.12912	2.9
175.14752	1.6
177.12723	2.0
181.12253	4.0
187.07550	1.7
189.12801	3.4
195.13818	5.9
201.12454	3.1
207.11717	3.0
207.13834	13.3
225.12425	6.0
225.14937	5.5
227.05263	1.8
290.87689	1.7
301.12631	12.1
325.12640	1.9
343.13626	63.2
344.14264	2.0
387.12598	100.0
387.16422	21.5
388.12878	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05518	2.4
56.96530	1.3
57.03421	1.5
67.05499	2.4
69.03437	7.1
69.97929	6.2
70.06611	6.0
70.87760	1.0
72.08141	2.3
73.02957	1.1
75.01450	1.0
79.05516	1.7
81.03403	5.2
81.07040	2.0
82.54480	1.3
83.04978	3.8
84.08138	1.2
85.02906	11.4
86.09703	4.2
91.05476	3.7
93.07029	2.8
95.04970	27.3
97.02895	5.4
98.97597	1.8
99.04473	6.3
105.07024	2.3
107.04934	2.6
107.08583	2.0
109.02917	2.0
109.10159	1.4
117.07021	1.4
119.08579	2.5
121.06495	1.3
121.07642	1.1
123.04408	2.5
123.08103	3.1
127.03922	3.9
131.04936	1.2
133.10063	1.4
135.08080	1.2
136.07510	1.3
139.07332	4.3
139.08612	6.1
145.04968	1.8
145.10118	1.2
149.09639	1.6
151.07509	2.0
153.09076	5.9
163.03934	1.8
163.11235	2.9
165.41939	1.3
167.03421	1.1
167.07030	7.9
181.12265	1.4
189.12650	1.4
207.13776	6.7
212.78371	1.0
225.14806	3.7
227.05237	3.1
237.02785	1.3
253.13582	1.4
256.26031	1.2
279.22318	1.2
299.13504	1.2
301.12561	9.6
325.12485	1.6
343.13611	62.3
344.14194	2.0
369.11569	2.7
387.12576	100.0
387.16397	21.2
388.12979	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02608	0.5
57.03433	1.0
58.06596	1.7
61.02915	2.0
69.03424	5.3
70.06572	0.9
71.04989	0.9
71.08299	1.2
72.04509	0.7
73.02899	1.7
79.05479	1.5
81.03400	2.9
85.02903	15.5
87.04437	0.7
91.05450	2.8
93.07065	0.6
94.97498	0.5
95.04890	0.5
97.02897	5.1
99.04471	0.9
103.05459	4.2
105.07030	14.0
107.04948	1.6
108.97762	0.6
109.02852	1.4
113.97050	0.6
118.06554	5.8
119.07317	0.9
120.08113	11.4
122.06060	1.1
127.03894	2.4
128.06189	2.3
130.06508	1.4
131.04907	2.2
131.07294	1.7
131.08539	0.5
132.08057	1.2
135.85930	0.5
136.60487	0.5
137.25194	0.5
137.94881	0.5
143.08565	2.1
145.05002	1.6
146.77672	0.6
160.11212	59.1
161.11581	0.6
167.07018	1.1
178.12265	53.2
179.12604	1.4
188.69667	0.5
206.11766	12.9
224.12804	100.0
225.13097	2.3
317.48624	0.6
343.13782	1.0
350.15784	0.9
369.28616	0.6
386.18076	2.2
387.12430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38779	6.6
55.05510	79.3
55.17360	6.5
57.03420	25.6
57.07075	63.6
67.05502	51.9
69.03405	8.3
69.07063	100.0
69.40511	64.2
71.08622	37.2
72.04518	53.2
73.04858	11.5
79.05471	21.0
81.07062	49.4
83.08617	70.8
85.10178	23.9
87.36015	6.5
91.05509	8.2
93.07027	29.2
95.08603	55.1
97.10197	42.1
105.07007	12.6
107.04825	6.4
107.08572	20.2
109.10161	26.6
110.77641	6.9
111.08051	12.8
111.11673	8.7
119.08579	8.3
121.10160	18.3
123.11670	11.9
125.09592	8.7
125.55741	6.8
135.11671	23.8
139.11179	10.0
143.08537	10.0
149.13191	11.8
153.12697	10.7
157.10013	7.2
163.14833	17.6
172.05527	6.5
177.16269	7.4
234.14972	9.6
235.15189	8.2
275.27203	8.7
293.28381	21.2
367.32156	12.1
385.29236	18.9
385.33423	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3098
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
53.23273	2.1
54.09774	2.7
55.05510	21.3
56.84515	2.1
61.97236	2.3
66.17833	2.0
67.05505	32.6
69.07068	18.4
69.82258	14.7
71.28373	2.1
79.05492	27.4
81.06654	3.0
81.07059	40.1
82.61995	1.9
83.04937	2.6
83.08609	8.9
91.05475	26.8
93.06477	3.1
93.07039	33.1
95.04975	5.6
95.08601	37.9
97.06446	2.5
97.10139	5.9
105.07035	28.3
105.90519	2.0
107.08594	21.3
109.06564	3.2
109.10147	15.9
109.33480	2.2
115.05472	3.1
117.07015	32.5
119.08582	26.4
121.10140	19.0
123.11691	6.8
128.06166	3.0
129.06987	13.5
131.08565	42.4
133.10133	18.8
135.07957	2.4
135.11667	11.2
137.13235	3.1
143.08554	9.9
145.09068	2.8
145.10124	36.3
146.10411	3.3
147.11664	12.6
149.05966	2.3
149.09540	2.7
149.13248	7.7
151.14879	2.3
155.08577	3.7
157.10127	10.5
159.11702	30.9
161.13261	9.1
163.14824	2.5
169.10216	2.8
171.11679	9.4
173.13275	22.5
175.14882	4.0
177.09077	3.3
185.13264	6.6
187.14845	21.1
199.14803	3.8
201.16386	11.1
211.14719	2.5
213.16357	4.3
215.17961	7.2
229.19426	4.5
243.21005	5.4
263.20276	4.2
273.18665	2.6
275.19812	2.2
297.22168	2.6
301.21619	4.5
315.23135	6.8
316.23911	4.8
344.96387	2.7
356.95288	2.3
367.29926	4.8
385.23602	4.6
385.31006	100.0
386.31448	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.01852	4.5
56.96540	2.8
61.02921	3.3
69.03416	4.2
70.06580	3.3
70.91196	5.2
73.02922	2.3
78.04729	2.5
79.05471	8.4
83.11926	2.4
83.22057	2.1
84.27341	2.7
85.02897	10.3
89.03874	2.6
89.92474	2.0
91.05462	7.4
95.01345	2.3
95.04967	4.7
97.02876	6.0
102.63087	2.2
103.05453	10.1
105.07029	65.3
107.04936	3.6
113.16672	2.4
115.05434	15.9
117.06999	5.2
118.04110	5.0
119.04932	2.3
120.08079	2.7
121.02898	3.3
123.04400	5.4
127.03932	2.5
131.04910	7.8
133.06479	62.5
135.04378	3.3
136.06131	7.0
138.09067	2.9
140.04599	3.1
143.04907	3.1
143.05969	3.2
144.05611	2.8
145.06450	5.9
147.04445	2.7
147.96371	2.5
150.83856	2.2
151.03905	6.7
155.07011	3.0
157.06400	2.5
160.05188	2.8
161.05972	100.0
162.06415	3.4
162.07726	6.4
163.03876	8.0
163.08087	4.1
164.07060	2.3
167.06995	29.0
173.05946	2.8
175.06038	3.1
175.07495	3.1
183.06511	3.2
189.05775	4.9
190.06308	5.1
192.05116	2.4
192.07736	3.1
193.05428	3.5
193.08582	58.1
201.05641	3.3
203.07123	2.5
205.08589	6.3
207.06551	9.1
218.05658	2.1
219.06541	2.7
220.07346	2.2
221.07983	3.8
223.08102	4.0
231.06566	10.1
233.04367	5.5
233.08176	2.9
235.06328	3.7
237.02856	2.5
247.06030	2.5
251.09132	22.5
252.07230	13.4
253.07578	26.6
261.07571	16.9
275.09122	3.6
289.06955	3.6
293.10187	3.8
307.08185	4.7
345.93362	2.0
385.02191	3.0
385.11029	3.4
385.15393	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06519	7.7
56.96547	19.1
57.03408	10.7
64.93756	9.3
69.03415	15.5
69.07021	10.8
70.06561	15.9
70.83282	21.0
79.05473	14.4
81.03413	9.0
81.07051	16.6
84.08131	8.2
85.02900	41.2
88.02194	29.7
93.92542	8.3
95.04967	22.3
97.02884	14.4
98.97575	100.0
109.06488	15.1
115.05440	9.6
116.98615	36.8
123.11686	17.9
127.03931	10.9
133.10129	15.5
134.02666	39.1
134.99619	30.5
136.06189	40.8
146.99605	15.5
158.10808	9.8
158.99635	30.1
163.75754	9.5
163.86539	9.4
167.06993	9.7
177.00688	56.2
191.14316	14.5
214.08534	13.1
219.01759	50.7
228.05775	14.4
237.02780	21.2
253.07423	12.2
270.78882	8.8
279.03516	9.8
295.11188	36.1
301.36987	9.7
302.18973	10.5
385.08600	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.6
56.80412	2.0
56.96563	5.9
57.03400	2.1
61.02908	2.4
65.03934	3.3
69.03061	2.0
69.03402	4.8
69.59035	3.0
69.59442	13.8
70.06583	8.3
71.15073	2.3
74.19773	2.0
79.05489	6.2
80.04025	2.0
81.03423	3.2
85.02905	9.2
89.03923	10.2
91.05468	5.8
95.04961	7.0
97.02883	5.6
98.97585	7.9
103.05475	9.5
105.07024	55.5
107.04937	10.0
111.04456	4.3
115.05446	12.2
116.98611	9.0
117.03399	7.6
117.07022	3.0
118.04156	4.8
119.04931	4.7
120.08108	9.7
123.04453	5.7
127.03904	4.9
127.08647	2.0
128.98611	2.9
129.07053	2.7
131.04858	5.3
133.06476	53.5
134.02711	3.9
134.99689	4.4
135.04401	15.8
136.06177	4.9
136.07587	2.9
138.05554	2.6
138.09108	3.9
139.03967	3.1
140.04668	2.4
143.06030	5.0
145.02855	7.4
145.06491	6.5
146.99641	5.9
147.04431	3.1
147.08070	2.3
155.07043	4.4
161.05975	100.0
163.03914	48.9
164.04262	3.9
165.92093	2.2
167.07027	25.5
175.03851	3.1
181.05016	2.5
183.02985	2.6
187.07579	2.8
188.04880	2.3
191.07085	2.5
193.08597	48.6
201.05453	3.9
203.07011	3.0
205.08601	5.6
207.06516	10.2
215.06911	3.0
217.04976	2.4
217.08482	2.7
219.01837	4.3
219.06519	4.7
221.07956	3.6
229.05151	3.6
231.06554	8.9
233.04372	5.8
233.08183	4.6
235.02692	2.6
235.09727	2.7
237.02831	15.7
241.03751	2.6
245.04689	2.2
249.07706	3.8
251.09138	18.8
261.07568	13.6
275.09225	4.0
289.06973	2.4
293.10135	3.2
307.08057	3.0
319.62320	2.5
385.25748	3.2
392.81723	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
56.96561	37.4
57.03435	5.1
61.02931	7.1
64.18498	3.0
69.03427	12.7
70.06590	19.4
71.57145	4.5
79.05480	8.8
81.03426	3.8
84.16129	3.5
84.96037	6.6
85.02908	28.4
87.58604	3.0
88.02206	33.7
89.03920	19.1
89.08529	3.7
91.05444	3.3
95.04942	4.6
97.02899	11.0
97.96804	3.6
98.97581	71.1
99.04459	5.5
100.48374	3.1
105.07034	11.4
107.04945	10.2
109.02879	4.7
110.07175	8.0
110.97584	6.6
116.98614	62.4
117.03389	10.7
119.01862	4.0
119.04967	3.9
122.07173	6.8
123.04476	6.4
127.03971	6.2
128.98633	18.2
130.87086	3.1
131.00186	3.8
133.06503	11.5
134.02710	33.9
134.99652	41.7
135.04416	25.2
136.06184	63.9
140.00208	5.1
145.02811	16.2
146.99620	25.1
147.04413	6.6
149.01202	5.1
149.06010	4.7
152.07092	3.4
153.00702	8.5
156.07697	3.3
158.01175	2.9
158.99692	14.5
161.01254	9.4
161.05981	13.7
163.03899	100.0
163.05232	5.2
164.04271	9.3
164.07199	7.4
165.00694	5.9
167.07048	6.6
171.05060	4.3
177.00720	37.0
189.00754	8.0
193.01782	11.2
193.08582	8.0
195.01768	4.9
200.02245	4.7
205.09743	6.6
211.02777	18.0
212.07155	5.0
219.01765	30.4
223.10793	13.2
235.02760	5.8
237.02802	70.2
239.02316	5.4
241.03925	9.8
242.99431	3.9
249.04158	4.1
249.13530	6.2
250.07506	4.0
250.56805	3.4
253.03847	3.6
255.03793	5.1
260.04791	3.5
265.03799	10.9
269.03397	4.1
295.04868	6.7
319.13678	5.2
367.06842	3.5
367.10849	3.6
368.19131	3.5
384.06155	3.5
385.08151	30.5
385.17709	6.6
385.25504	5.8
403.08972	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78729	4.1
55.01844	7.7
56.96567	55.0
57.03407	7.0
61.02902	11.3
63.20518	4.7
69.03428	21.5
70.06594	32.0
70.70493	16.2
71.04958	6.6
73.02891	5.5
79.05468	5.9
81.03384	10.7
83.04972	6.7
84.08131	5.0
84.96000	7.3
85.02893	36.3
86.06056	5.2
88.02213	47.8
89.03926	23.5
95.04942	6.3
97.02894	28.1
97.96797	6.0
98.97581	91.9
105.07053	5.5
107.04931	18.0
109.02839	6.7
110.07166	8.9
110.97541	17.3
116.98615	98.6
117.03356	15.1
121.06493	4.9
122.07153	10.1
123.04407	5.9
123.08047	5.3
127.03881	7.3
128.98610	38.2
131.00154	7.6
131.01848	7.0
133.06465	5.2
134.02724	68.3
134.99663	74.6
135.04419	20.5
136.06181	92.7
143.00204	6.2
145.02744	10.7
145.04947	6.4
146.99643	44.6
149.01201	10.1
149.05994	9.2
152.58751	4.5
153.00714	8.3
157.03470	5.0
158.99654	24.0
160.09871	4.6
161.01219	14.5
161.05902	5.3
163.03903	98.3
164.04324	6.4
164.07077	8.8
165.00728	6.9
170.99635	5.5
175.11841	5.6
177.00716	63.1
189.00661	8.8
192.96136	4.5
193.01717	12.5
205.09698	13.3
207.01711	4.4
211.02779	39.6
212.07024	7.5
219.01733	39.4
223.02739	6.0
223.10738	19.0
229.03470	4.8
237.02808	100.0
239.02280	10.4
241.03748	15.3
242.03337	8.0
247.02827	10.3
249.13481	8.0
250.07249	5.7
250.09644	5.4
253.03879	7.6
255.03888	14.9
259.04941	4.6
265.03806	22.2
269.03015	5.1
283.05185	5.1
307.04764	7.3
385.08261	47.8
385.15881	5.8
385.25409	12.4
403.09464	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.66223	4.7
55.05496	19.5
57.07070	10.4
59.05011	5.4
65.03928	5.4
67.05495	48.9
69.03418	13.8
69.07053	10.5
69.94398	8.1
69.94813	14.6
71.04979	8.1
79.05491	32.3
81.07055	46.2
83.04973	10.3
83.08616	10.5
85.06524	5.2
91.05489	49.3
93.07045	100.0
95.04975	32.1
95.08594	52.2
97.06538	15.4
97.10155	4.6
105.07022	86.2
107.04935	4.2
107.08591	52.3
109.06541	29.2
109.10172	29.9
110.03071	4.0
111.08090	10.8
115.05484	5.9
117.07035	17.4
119.08573	64.1
121.06519	19.6
121.10142	50.5
123.08075	35.9
128.06258	9.2
129.07024	8.0
130.07845	5.0
131.08563	30.0
133.06485	10.9
133.10120	43.2
135.08060	25.0
137.09631	9.9
142.07739	24.0
143.08562	25.0
145.06566	7.3
145.10130	51.4
146.07269	5.4
147.08076	28.4
147.11668	14.2
149.09628	30.0
151.07568	48.2
155.08559	7.4
156.09351	11.6
157.10124	41.8
159.08055	8.4
159.11687	21.6
161.09615	24.2
161.13261	12.4
163.11195	5.5
165.07030	5.3
165.09167	39.3
165.88242	5.8
169.10088	8.5
170.10927	7.0
171.11681	9.5
173.09673	9.1
173.11757	6.2
173.13213	9.2
175.11121	27.4
175.14830	8.9
177.09151	11.4
183.11708	6.0
185.13283	23.3
187.11188	5.3
187.14832	5.3
189.12769	11.2
197.13332	7.9
199.14755	4.8
201.12796	9.1
203.14282	33.0
207.13763	10.3
213.12685	6.2
219.13733	5.7
221.15349	81.0
233.15326	6.2
234.16147	14.1
286.19370	6.0
287.20078	9.3
303.19662	8.5
355.02133	5.3
365.24716	11.7
383.25644	68.9
383.79980	5.3
384.26306	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.9
53.78168	6.2
55.05511	31.2
57.07071	23.8
59.04993	9.1
61.53905	6.9
63.31132	5.8
67.05171	10.0
67.05501	100.0
68.07976	5.4
69.03432	22.0
69.07054	23.7
70.04225	33.6
71.04990	18.3
71.08625	8.0
79.05488	29.8
81.03416	33.6
81.07065	55.7
83.04983	7.0
83.08636	12.0
85.06570	6.9
85.10167	8.0
91.05470	47.2
93.07043	98.9
95.04958	30.8
95.08600	54.4
97.02894	9.7
97.06545	22.0
99.04449	45.9
105.07021	91.9
107.04933	6.4
107.08576	42.3
109.02895	7.7
109.06519	21.5
109.10152	83.3
111.08067	12.4
117.07005	14.6
119.08566	61.0
120.09373	6.9
121.06528	15.7
121.10146	41.2
123.08050	31.3
127.03922	27.6
128.06204	6.0
129.06981	14.7
131.08546	31.1
133.06503	14.3
133.10138	37.1
135.08026	15.8
137.09612	16.3
142.07779	16.4
143.08556	27.6
145.10127	44.3
147.08076	22.1
147.11667	19.4
149.09612	25.3
151.07532	44.5
156.09372	13.4
157.10127	41.5
159.11723	20.3
161.09601	19.5
163.11131	9.7
165.09172	31.3
170.10904	7.8
171.11720	8.9
172.66588	6.9
173.09540	16.2
173.11736	18.4
173.13193	8.1
174.10457	8.6
175.11209	17.3
175.14798	13.6
177.09062	12.8
183.11682	7.1
185.13257	16.4
189.12711	11.0
195.11710	8.2
203.14288	32.1
207.13716	12.1
215.14224	7.3
215.52509	6.7
221.15353	79.2
234.16020	6.6
287.20139	14.9
303.19492	14.3
365.24609	17.0
383.20322	35.0
383.25641	49.3
384.25607	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.55055	3.0
53.03954	7.2
54.17381	2.9
55.01868	3.6
55.05516	18.1
57.07084	15.7
59.05007	5.3
60.06413	3.0
67.05509	38.9
69.03437	14.7
69.07064	10.3
71.05009	7.1
77.16169	3.0
79.05491	36.2
81.07063	38.3
83.04983	5.1
83.08624	6.7
85.06557	7.3
91.05477	53.7
93.07047	100.0
95.04979	31.3
95.08604	40.8
97.06550	12.1
99.08109	3.1
103.05485	3.1
105.07034	81.2
107.04921	3.7
107.08600	45.9
109.06519	29.3
109.10163	21.1
111.08086	5.9
115.05466	6.4
117.07021	12.0
119.08585	53.5
120.09374	3.4
121.06511	13.7
121.10142	55.7
123.08082	27.0
128.06239	8.5
129.07024	15.0
130.07765	7.0
131.08568	32.2
133.06519	6.7
133.10127	33.0
135.08072	30.8
135.11694	6.9
137.09634	10.7
141.07021	4.7
142.07767	20.1
143.08569	24.0
144.09413	4.6
145.06528	4.2
145.10120	38.8
147.08055	24.9
147.11684	19.6
148.08835	4.1
149.09637	27.6
151.07544	45.1
155.08548	5.8
156.09412	5.1
157.10123	40.3
159.08086	10.3
159.11690	19.4
161.06018	5.1
161.09612	23.6
161.13309	7.8
163.11185	7.3
165.09120	36.2
167.08553	4.2
169.10121	6.8
170.10947	7.7
171.11754	9.1
173.09676	9.5
173.13271	12.2
175.11172	23.5
175.14839	8.4
177.09161	12.1
179.08540	4.3
183.11726	7.1
185.13300	17.1
187.11188	7.5
187.14766	3.6
189.12778	11.2
193.10207	3.9
194.10988	3.2
195.11818	5.2
196.12405	3.9
197.13307	6.4
199.11212	4.3
201.12758	9.2
203.14285	35.9
207.13855	14.4
209.13387	4.7
213.12558	3.5
213.16383	4.2
215.14336	10.4
216.15221	3.8
219.13907	7.7
221.15375	66.2
227.14406	6.4
231.13858	5.0
233.15376	6.6
234.16196	15.5
243.13753	3.7
269.63950	3.3
286.19287	5.1
287.20105	7.8
299.20175	6.1
303.19635	6.9
315.49780	3.2
357.18896	3.1
365.24753	7.5
383.25781	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
54.19572	3.5
55.05499	11.8
57.07063	10.5
58.39153	3.8
59.04987	7.5
65.03918	5.2
67.05503	37.6
69.03410	13.3
69.07059	9.3
69.60080	29.9
71.04986	7.5
75.81451	3.7
79.05492	28.6
79.15535	2.9
79.25822	3.0
80.29902	3.8
81.03438	3.3
81.07051	39.7
83.04974	8.1
83.08619	6.7
85.06548	5.2
88.12165	3.2
88.96127	3.4
91.05479	57.4
91.51942	3.6
93.06480	6.0
93.07038	100.0
95.04968	36.3
95.08603	41.2
96.08968	3.2
97.06521	10.7
105.07036	82.3
107.08586	50.0
109.06513	23.5
109.10162	28.0
111.08047	7.5
117.07018	12.7
119.08577	62.1
121.06501	14.6
121.10137	42.5
123.08060	35.9
128.06235	8.2
129.07013	13.1
130.07736	5.1
131.08571	37.1
133.06496	5.8
133.10129	34.2
135.08058	25.0
135.11664	6.2
137.09599	13.0
141.07019	4.7
142.07790	27.1
143.08559	32.5
144.09306	5.5
145.10114	33.5
147.08054	27.9
147.11713	17.1
149.09593	22.1
151.07527	40.8
155.08536	11.1
156.09334	11.0
157.10136	39.8
159.08034	10.5
159.11711	21.1
161.09621	27.0
161.13264	4.1
163.11191	7.5
165.09120	40.5
167.08586	4.7
169.10078	7.7
170.10890	6.4
171.11653	11.3
173.09631	10.7
173.13197	7.1
174.10454	3.7
175.11208	26.9
175.14761	7.5
177.09128	12.1
181.10103	4.7
183.11674	7.6
185.09605	4.7
185.13248	23.6
187.11107	5.6
189.12724	13.7
189.58217	3.3
191.14297	6.6
195.11691	5.2
197.13269	5.8
201.12749	11.9
203.14369	26.0
207.13821	14.3
209.13367	5.3
209.15431	4.0
213.12654	6.6
215.14319	8.3
219.13727	4.4
221.13354	7.5
221.15346	51.5
225.12697	4.6
233.15414	7.4
234.16191	9.5
237.14857	5.6
269.19064	3.9
281.18909	4.5
286.19318	7.7
287.19904	6.7
299.19937	7.7
303.19568	6.8
365.24588	10.3
383.25708	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.05497	17.3
57.03429	6.0
57.07072	13.5
59.04984	10.1
63.06848	6.3
65.03946	5.7
67.05497	62.1
69.03413	20.2
69.07071	8.7
71.04972	11.1
71.30319	4.7
71.58698	8.4
79.05484	41.6
81.07039	45.6
83.08587	5.8
85.06541	11.2
90.43343	5.7
91.05473	56.3
93.07035	100.0
95.04958	29.3
95.08616	44.2
97.06517	17.8
102.19674	5.4
105.07034	82.1
107.05006	4.9
107.08600	49.0
109.06493	26.1
109.10141	51.0
111.08067	11.2
116.12566	5.7
117.07028	17.6
119.08553	67.9
121.06488	18.1
121.10152	40.9
123.08045	36.8
128.06209	7.6
129.06975	17.6
131.08545	34.7
133.06532	9.1
133.10121	26.0
135.08052	21.8
135.11646	7.5
135.13028	4.9
137.09631	17.7
142.07800	17.8
143.08585	26.1
145.10123	42.4
146.07257	8.3
147.08043	23.3
147.11694	10.2
149.09648	29.6
151.07530	36.7
155.08580	12.9
156.09390	8.8
157.10162	33.5
159.11693	24.3
161.09622	27.0
161.13232	7.3
165.09103	37.4
171.11754	6.6
173.09610	11.5
173.11813	8.9
173.13300	15.9
175.11232	20.1
175.14812	10.5
177.09082	13.8
183.11681	7.4
185.13235	11.0
187.11322	6.9
189.12729	7.4
195.11681	9.4
197.13196	6.1
203.14244	31.8
207.11833	5.7
207.13713	9.8
209.15202	6.2
213.12697	8.1
215.14369	8.3
219.13866	6.4
221.15334	72.1
233.15302	6.8
234.16118	13.1
271.17056	6.2
281.19009	6.2
286.19232	6.8
287.20190	9.3
299.20013	6.1
303.19495	10.4
365.24893	7.8
383.25516	52.2
383.29550	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01864	17.7
55.05234	2.4
55.05506	45.9
56.96548	5.0
57.03191	2.8
57.03437	29.5
65.03943	3.1
67.05502	57.3
69.03430	12.2
69.06724	2.9
69.07065	37.9
70.50361	2.0
71.04996	12.9
71.57637	2.2
73.02920	3.0
79.05490	62.8
81.03429	22.3
81.07053	100.0
83.04996	18.7
83.08607	19.8
84.08130	4.9
84.52448	2.0
84.94915	2.1
85.02889	8.8
85.06538	5.8
90.33206	1.9
91.05474	39.2
93.06480	3.1
93.07040	53.3
93.54049	2.0
95.04972	25.1
95.08614	39.2
96.43878	2.1
97.02923	3.0
97.06527	41.9
97.10159	31.0
99.04461	5.4
99.08068	10.9
103.05481	4.9
105.07034	34.7
107.04961	11.6
107.08599	31.4
109.02873	4.0
109.06522	14.5
109.10151	19.8
111.04456	19.9
111.08070	14.4
113.09540	2.2
115.05426	4.1
115.07568	8.1
117.07004	15.1
119.04955	2.8
119.08579	25.6
121.06482	11.6
121.10136	19.6
123.04400	3.5
123.08074	41.8
123.11666	4.5
125.06016	5.2
125.09612	27.0
127.03928	3.4
127.07583	4.8
128.06200	4.1
129.07040	10.5
131.08553	17.7
133.06473	6.0
133.10123	14.9
135.04420	2.6
135.08075	15.0
135.11682	10.7
137.05986	4.5
137.09583	8.1
139.03862	2.1
142.07782	3.6
143.08577	10.3
143.10672	2.4
145.10112	20.2
146.06003	2.4
147.07993	10.2
147.11681	10.7
149.05972	12.0
149.09599	11.6
149.13245	5.7
151.11206	4.5
153.06987	2.3
153.12750	7.9
155.08606	4.7
157.10133	11.1
159.08087	3.1
159.11661	10.3
161.05956	3.9
161.09660	4.7
161.13182	3.0
163.03891	11.0
163.07512	26.7
163.11179	20.0
165.09120	8.6
165.12711	3.0
167.07028	3.6
167.08463	2.8
169.10117	5.2
171.08060	3.0
171.11678	6.5
173.09637	5.1
173.13232	8.2
175.07523	2.8
175.11192	7.5
177.12724	7.6
179.14343	3.2
180.30054	2.3
181.04993	5.6
181.08588	11.8
181.10065	4.3
181.12198	8.2
183.11618	2.3
185.13239	4.4
187.11205	4.1
189.09267	4.8
189.11217	27.8
189.12773	3.0
191.10669	7.6
193.12248	8.3
195.11612	3.5
197.09680	2.9
197.13283	3.5
201.09134	2.5
201.12691	3.0
203.08672	2.5
203.10721	5.6
205.12206	2.5
217.15845	4.4
221.08110	4.1
221.11752	5.3
223.13216	5.2
225.08969	2.8
225.16545	2.6
227.10760	3.3
227.12802	6.9
227.17943	4.0
229.08578	3.1
245.19070	3.9
255.17447	4.6
259.13525	2.4
263.19986	3.0
269.17355	3.1
273.18530	31.0
291.10114	4.4
291.19522	52.2
293.07858	2.5
298.27927	2.1
307.09473	2.8
323.09097	2.7
323.12762	3.9
337.10623	4.6
347.22318	4.1
362.14334	2.6
365.23538	12.2
383.10825	4.4
383.14981	7.7
383.24094	20.1
383.29498	4.6
383.92752	2.2
396.52969	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69433	4.3
53.03939	5.5
55.01857	17.3
55.05507	39.7
56.96558	8.1
57.03429	59.5
67.05508	86.3
69.03445	13.1
69.07066	63.4
70.12403	10.8
70.12799	13.4
71.04989	21.6
74.14003	5.0
74.81953	4.4
79.05489	60.3
81.03403	18.3
81.07063	100.0
83.04987	14.1
83.08617	17.0
84.08138	7.9
85.02889	8.6
85.06547	29.7
91.05475	74.3
93.07042	64.4
95.04969	78.4
95.08607	61.6
97.06531	64.9
97.10176	9.7
99.08092	19.2
100.07578	8.1
104.61889	4.6
105.07041	60.2
107.04963	19.3
107.08600	52.2
109.02834	6.0
109.06518	70.2
109.10139	38.7
111.04441	10.1
111.08084	12.6
113.05989	71.5
115.05383	7.8
115.07562	10.6
117.07042	30.1
118.78056	5.4
119.04927	8.5
119.08584	39.3
121.06484	13.9
121.10152	27.1
123.08052	16.5
123.11652	7.5
125.09623	9.6
127.07613	5.7
128.06192	8.8
129.06989	19.0
129.92763	5.1
131.08577	38.0
133.06506	7.1
133.10138	36.0
135.08040	58.2
135.11685	17.2
137.09613	12.3
139.07550	8.9
143.08528	26.9
145.10135	25.3
147.08063	11.4
147.11662	10.3
149.06032	10.9
149.09619	14.8
149.13234	16.7
157.10104	15.5
159.08066	12.1
159.11700	15.7
161.09647	17.8
161.13226	8.9
163.07550	40.6
163.11209	6.2
165.09131	6.9
167.08644	6.3
169.10138	7.4
171.11696	7.3
173.09474	6.3
173.13332	7.0
175.11174	11.0
177.12859	9.2
181.04967	13.1
181.08606	11.4
181.10081	5.7
183.08150	5.7
185.13235	6.2
189.12740	7.3
189.56726	5.2
195.13782	5.3
199.14810	6.8
201.12624	6.8
203.10634	7.1
217.15846	22.2
218.42068	5.4
250.06279	6.4
252.23508	5.4
255.17442	9.3
273.18491	48.9
276.07764	6.4
291.19492	70.7
365.23068	15.4
383.37094	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04480	2.4
53.03947	6.6
55.01874	15.0
55.05510	36.1
56.96565	5.1
57.03239	1.9
57.03439	22.3
59.10519	2.3
61.87419	2.3
65.03929	5.1
65.27998	2.3
67.05171	4.4
67.05505	60.4
68.99831	2.7
69.03420	10.0
69.07064	35.6
70.93414	5.8
71.04991	11.2
72.41866	2.2
79.05061	4.0
79.05495	55.3
81.03419	21.1
81.07060	100.0
83.04987	23.5
83.08619	24.7
85.02905	11.7
85.06526	7.4
91.05480	42.2
93.07045	43.7
95.04966	28.0
95.08608	31.6
97.06531	40.1
97.10177	21.6
98.13703	2.8
98.97623	2.7
99.04433	3.3
99.08084	9.7
103.05478	5.8
105.07028	43.7
107.04952	10.8
107.08591	36.7
109.06521	9.1
109.10152	21.4
111.03836	2.2
111.04446	18.5
111.08086	9.4
115.07566	7.8
116.29347	2.4
117.06998	12.9
119.08577	26.6
121.06470	13.6
121.10151	24.2
123.08080	40.2
123.11654	5.5
125.09629	33.1
125.49158	2.4
127.07604	4.6
128.06232	3.2
129.07033	12.1
130.14334	2.6
131.04898	4.2
131.08589	19.4
133.06483	7.3
133.10129	14.8
135.08072	13.7
135.11690	15.4
137.05972	6.2
137.09624	11.3
139.11217	3.4
141.07065	2.7
143.08577	8.9
145.06441	4.0
145.10117	20.2
147.08075	12.2
147.11684	8.5
149.05971	7.9
149.09636	9.2
149.13290	4.4
151.11102	3.3
153.09058	5.1
153.12755	8.8
155.08492	3.6
157.10126	11.8
159.08064	6.2
159.11693	9.8
161.05977	6.7
161.09615	7.8
161.13251	5.1
163.03885	8.1
163.07545	83.5
163.11195	23.3
165.06947	3.4
165.09126	8.1
165.12718	3.8
167.10722	2.3
169.10251	3.9
171.08070	5.9
171.11703	6.5
173.09663	5.2
173.13260	5.7
175.07523	4.7
175.11197	7.6
175.14735	2.9
177.09134	4.4
177.12770	5.4
179.14316	3.3
181.05060	4.9
181.08604	32.2
181.12257	10.6
183.11699	2.6
185.13197	3.0
187.11287	3.3
189.09117	15.8
189.11220	29.4
189.12738	3.8
189.16331	3.7
191.10693	15.1
191.12337	2.2
193.10535	3.2
193.12166	12.3
195.13765	3.6
199.14922	4.2
203.07065	2.8
203.10689	12.0
203.14294	2.8
207.10191	9.6
209.54031	3.2
215.10605	3.0
217.15999	3.5
221.08037	4.2
221.11740	3.6
223.13272	6.5
227.12706	13.4
227.17873	3.7
229.08788	2.9
250.13292	5.6
255.17307	4.0
263.20255	2.8
265.08688	3.1
265.41531	2.5
273.18475	24.5
291.10086	3.3
291.19559	59.8
365.23209	10.8
383.10706	3.8
383.14810	9.9
383.24655	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.6
55.01863	18.5
55.05509	29.7
56.96561	7.3
57.03423	16.4
65.03927	10.1
67.05505	42.2
69.03073	9.8
69.03428	98.4
69.07070	27.9
71.04996	61.3
71.31824	7.9
79.05508	38.3
81.03413	55.5
81.07048	68.7
83.04977	23.9
83.08607	8.3
84.08160	6.5
85.02906	51.6
85.06567	7.2
87.00824	37.1
87.04502	5.0
90.01167	4.6
90.59564	4.6
91.05482	60.4
93.07040	65.6
95.04955	31.5
95.08599	38.0
97.02904	39.7
97.06532	13.9
97.10193	7.3
99.04459	14.2
99.08132	7.2
100.11229	6.0
103.03960	8.2
103.05486	8.3
105.01883	4.8
105.07030	100.0
107.04962	20.9
107.08585	67.4
109.02891	15.2
109.06498	32.2
109.10154	24.2
111.04450	19.8
111.08089	11.8
115.03936	20.1
115.05462	11.7
117.01856	6.4
117.07014	35.1
119.04948	22.6
119.08592	63.8
121.06479	43.1
121.10138	52.1
123.04438	13.4
123.08113	26.5
123.11729	15.9
125.09672	8.2
127.03941	20.6
128.06235	22.0
129.01842	5.1
129.07013	15.2
130.07785	11.9
131.05028	5.5
131.08557	45.2
133.06499	20.4
133.10138	27.4
135.08038	30.5
135.11688	25.0
137.06000	10.1
137.09616	11.4
137.13226	5.3
141.07011	6.9
143.08553	27.7
144.09306	6.3
145.06473	9.6
145.10110	56.2
147.04462	8.2
147.08038	26.5
147.11661	29.4
149.05981	40.1
149.09615	16.3
149.13258	9.2
151.07570	12.2
151.11198	18.9
155.08525	11.9
156.09338	7.3
157.06462	9.1
157.10109	16.2
158.07330	6.5
159.02876	11.0
159.08055	14.2
159.11673	25.1
161.06009	5.4
161.09607	16.4
161.13313	12.3
163.03967	6.1
163.07518	13.1
163.11179	22.9
165.09160	9.8
165.12775	16.9
171.08046	16.4
171.11693	13.0
173.09599	65.5
173.13318	9.8
175.07564	21.9
175.11198	9.9
177.09164	10.8
177.12747	39.3
178.41940	4.9
179.10701	7.6
181.28981	4.9
185.09650	8.2
187.11293	5.9
189.12747	19.7
191.10631	42.1
193.12234	10.8
197.13208	10.2
201.03947	16.3
201.09164	7.3
201.12732	8.0
203.10674	28.4
205.12238	14.9
207.13837	8.7
209.07901	5.3
209.13396	6.2
215.14282	12.8
219.08032	9.8
219.13921	7.9
221.08064	9.2
221.11707	24.6
223.13210	6.4
233.09569	7.1
243.13734	30.6
247.07809	6.1
248.08322	6.6
261.14835	36.1
276.07678	7.9
278.09335	5.5
279.15927	13.9
290.09402	7.0
291.10324	12.0
293.08130	13.4
307.09729	5.8
308.06836	6.1
323.12704	6.5
327.11758	5.4
336.09958	5.1
337.10611	9.1
347.14999	8.3
351.08554	6.2
351.12350	12.1
352.13101	9.7
365.16211	11.8
368.12720	9.5
383.14581	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.7
55.01870	17.2
55.05502	15.5
57.03425	12.9
61.02918	7.7
65.03929	4.3
67.05511	35.7
68.99780	9.6
69.03426	58.6
69.07081	13.3
69.35301	27.7
70.06586	2.6
71.01353	5.3
71.04973	10.8
71.71102	2.5
73.02910	7.5
79.05489	42.2
81.03419	33.5
81.07054	70.1
83.04988	22.2
83.08621	2.7
84.08132	5.0
85.02904	61.6
85.06522	5.7
87.00833	31.3
87.04475	3.4
91.05482	40.2
93.03416	3.7
93.07041	99.5
95.01339	3.5
95.04965	25.3
95.08596	46.8
97.02884	30.6
97.06544	14.6
99.04457	9.4
99.08107	3.0
103.03959	7.7
103.35104	2.7
105.01854	9.1
105.07027	81.5
107.04945	14.1
107.08597	100.0
109.02878	15.6
109.06522	26.0
109.10153	27.3
111.04443	23.9
111.08053	3.6
113.05987	4.0
115.03937	10.7
115.05389	2.5
117.07003	15.0
119.08583	47.6
121.06505	16.9
121.10149	37.1
123.04443	11.7
123.08087	11.2
123.11715	12.7
125.05987	5.1
125.09621	3.4
127.03902	17.4
128.06226	4.0
129.01819	10.4
129.05475	6.3
129.06981	12.4
130.07819	3.0
131.08548	27.4
133.06499	7.9
133.10120	39.7
135.08084	14.6
135.11687	49.3
135.57411	3.1
137.06026	6.1
137.09601	8.0
137.13286	4.2
139.07539	2.7
141.06992	6.0
142.07811	9.6
143.08565	11.7
144.09375	4.6
145.06442	7.6
145.10127	30.7
147.02875	2.7
147.08051	11.5
147.11694	37.9
149.05986	6.1
149.09634	10.8
149.13261	8.1
149.19064	2.5
151.03932	2.8
151.07607	3.2
151.11191	9.8
153.05440	4.5
153.12720	4.3
155.08575	7.8
156.09306	5.5
157.10089	17.2
158.07338	2.7
159.02965	5.9
159.08075	9.8
159.11719	22.9
161.06062	3.1
161.09624	8.7
161.13275	10.8
163.03937	3.4
163.07573	5.5
163.11185	33.1
165.12740	28.2
167.07024	4.7
168.25119	2.9
169.10176	8.0
171.08034	3.9
171.11678	11.3
173.09637	8.2
173.13249	6.3
175.03722	2.9
175.11176	19.8
177.12766	17.8
179.10683	4.2
181.12207	3.7
182.10880	3.5
183.11731	5.6
185.09544	6.3
187.07506	3.1
187.11128	6.9
187.14815	6.0
189.03889	4.0
189.12764	11.9
191.14359	5.3
193.12283	8.4
197.13269	5.4
199.11102	5.0
201.03987	6.2
201.09167	3.4
201.12740	9.6
203.07021	3.5
203.14243	4.1
205.12260	9.1
207.13838	5.6
213.12840	3.4
214.19218	3.2
215.14310	11.7
217.12215	3.8
219.13802	8.1
221.08119	12.3
221.11540	5.2
221.15326	5.0
223.13277	3.2
225.12714	8.6
231.05040	4.8
231.13820	4.6
233.15401	4.5
243.13800	33.5
247.07417	2.6
259.07291	2.5
261.14896	42.1
262.15451	3.4
279.15878	15.0
303.17877	3.3
319.22678	3.2
329.13959	2.9
336.24094	2.7
347.14908	7.5
365.16061	21.9
383.17160	15.2
383.21265	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
54.54210	3.6
55.01857	15.9
55.05515	29.0
57.03419	15.0
58.23407	3.7
61.02910	5.6
61.07518	3.6
65.03928	9.2
67.05497	33.0
68.99777	7.5
69.03423	42.4
69.07056	17.1
69.93285	13.4
69.93700	6.2
70.06590	12.7
71.01369	6.0
71.04972	15.8
72.08135	5.3
73.02896	8.7
79.05497	37.4
81.03420	27.6
81.07051	80.2
83.04984	20.8
83.08610	4.3
84.08118	9.5
85.02903	40.0
85.06560	5.8
86.09693	8.8
87.00804	13.4
91.05475	44.4
93.07040	100.0
93.12177	4.3
95.04965	30.7
95.08605	48.2
97.02879	28.7
97.06516	15.7
97.10221	4.5
99.04433	9.6
99.08084	10.2
100.07578	4.6
103.03988	5.0
103.05474	6.3
105.01830	8.2
105.07022	70.5
107.04945	11.8
107.08597	84.9
109.02895	9.6
109.06501	22.0
109.10154	29.3
111.04433	38.1
111.08065	6.0
112.79812	4.1
115.03918	9.8
117.07001	16.7
119.04930	7.9
119.08578	48.3
120.08093	8.1
121.02831	4.5
121.06502	16.9
121.10137	38.4
123.04429	13.8
123.08041	17.8
123.11696	18.2
125.05928	7.5
127.03897	9.8
127.07525	5.1
128.06232	6.0
129.05498	5.7
129.06967	9.2
130.07796	8.0
131.08565	23.1
133.06509	7.5
133.10123	37.6
135.08028	8.5
135.11699	40.3
136.07533	3.7
137.09601	12.4
137.13271	7.2
139.07526	6.1
141.07010	5.8
142.07698	6.8
143.08548	19.4
145.06413	6.5
145.10092	28.6
147.08067	19.3
147.11696	30.8
149.05989	6.5
149.09602	13.5
149.13327	6.1
151.11182	10.3
153.06952	3.8
155.08530	7.2
156.09303	4.6
157.06526	6.8
157.10118	18.5
159.08055	9.5
159.11707	23.2
161.05992	10.6
161.09572	9.1
161.13235	13.4
163.07524	6.7
163.11194	31.3
165.12770	34.2
167.07063	4.0
169.10136	5.7
170.82524	4.6
170.98730	4.2
171.11679	13.7
173.09583	9.3
173.13258	9.1
175.11172	11.9
177.12727	12.7
179.10710	8.4
183.11604	8.0
185.13307	6.3
187.07469	4.8
187.11191	7.0
189.12761	8.6
191.10672	4.1
191.14294	5.5
193.12282	7.5
197.13214	8.2
199.14781	3.9
201.03954	4.7
201.08984	5.9
201.12607	11.1
203.14217	4.8
205.12254	7.7
215.10623	4.6
215.14288	9.1
219.08043	6.4
219.13792	9.0
221.11545	8.1
227.17618	5.4
229.08647	6.0
231.08012	4.1
231.13742	5.9
243.13728	36.4
245.18810	4.1
247.07497	13.0
248.08296	9.2
261.09076	5.2
261.14819	43.3
275.07065	6.0
276.07831	8.7
277.08774	5.7
279.15891	12.4
291.10150	10.0
293.08130	8.3
305.08023	6.2
323.12860	6.4
336.10040	4.3
337.10516	11.1
347.14856	8.6
347.22156	5.8
351.12201	11.7
352.13205	5.2
353.10202	11.5
365.15918	20.9
368.12604	9.9
383.07053	5.1
383.15005	34.4
383.19861	24.5
383.24765	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.3
55.05493	24.9
55.97387	7.8
60.04530	56.7
61.04856	8.4
67.05495	17.8
69.03418	38.5
70.06604	41.8
71.57216	9.7
75.04470	12.4
79.05516	20.6
81.03426	19.4
81.07073	22.8
83.08607	12.7
85.02898	44.4
91.05478	21.3
93.07032	13.4
95.04961	23.5
95.08627	13.9
97.02917	17.0
98.23601	9.1
105.07031	16.8
107.08555	17.2
111.04417	10.5
113.70031	8.6
116.98586	11.0
117.07060	12.8
117.09133	20.2
119.08597	12.0
121.06528	10.7
121.10201	8.1
123.04429	10.1
123.08044	12.5
127.03890	15.7
133.10072	13.3
135.07997	11.4
135.10162	27.0
145.02881	10.1
145.10126	11.4
147.04413	12.6
147.08041	11.1
160.08701	97.5
161.05962	16.5
163.03928	30.2
165.09206	11.8
177.05409	19.5
181.04945	26.5
186.06577	18.6
203.09317	30.6
203.11505	9.5
203.14316	75.5
205.08905	10.2
209.04247	10.7
216.18248	9.5
222.07648	18.2
237.02919	10.3
284.13284	9.5
323.06100	10.7
329.24847	9.2
347.26178	11.9
365.27350	20.9
378.38055	8.3
383.13187	100.0
383.28497	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05507	2.4
57.03440	1.8
63.06186	1.1
63.25536	1.4
65.03948	1.5
67.05491	4.4
67.97329	1.2
69.03427	8.7
69.66938	1.2
71.05001	2.2
71.58160	1.6
74.01169	1.3
79.05484	7.4
81.03403	4.6
81.07040	11.0
83.04967	2.9
85.02900	6.6
87.00822	2.6
91.05470	8.3
93.07044	17.7
95.04967	4.5
95.08596	7.1
97.02885	5.5
100.11252	1.2
103.05446	1.7
105.07010	9.4
107.04935	3.2
107.08596	16.1
109.02888	2.1
109.06496	2.3
109.10159	3.6
111.04428	2.7
115.05442	2.2
117.06999	1.7
119.08563	6.9
121.06512	2.1
121.10127	4.7
123.04438	2.6
123.08049	3.3
127.03933	2.5
128.06169	2.1
129.07027	1.7
131.08545	3.1
133.02827	1.7
133.06412	1.8
133.10112	7.1
135.08018	2.1
135.11688	6.5
137.06012	1.6
139.11125	1.1
141.06973	3.8
142.07657	1.8
143.08530	2.1
145.10074	5.5
147.11690	6.6
149.05972	3.2
155.08542	2.5
157.06453	2.8
157.10121	1.4
159.11713	2.7
161.05959	1.5
161.09583	1.3
163.11192	5.6
165.06963	2.2
165.12755	5.1
167.07060	1.3
167.08562	1.8
169.06441	1.8
170.07275	2.0
171.11670	2.4
173.13239	1.5
175.07468	1.4
175.11198	2.3
177.05608	1.3
177.12712	1.9
179.08603	1.3
181.12112	1.2
186.06717	2.8
189.06993	2.2
189.12715	1.6
190.07726	4.5
191.06992	2.2
191.08542	4.7
195.07967	2.4
198.06723	1.3
200.08345	2.6
201.09062	3.9
202.07782	6.6
203.08580	7.0
203.14130	1.4
205.06516	4.6
205.10219	1.6
207.08124	1.7
208.05177	1.9
208.08847	1.6
209.09587	2.7
215.08569	5.1
215.14265	2.1
216.09320	1.6
217.06729	1.4
217.10231	1.6
218.07254	4.2
219.08086	12.7
219.13689	1.5
220.08797	9.1
221.05984	2.7
221.09676	2.3
222.06683	2.2
223.11151	1.3
229.08556	9.7
230.07246	5.0
231.08046	14.9
231.10181	2.4
232.08643	3.2
233.05986	6.0
233.09572	10.3
233.15338	1.5
234.06757	4.0
234.10292	1.8
235.07471	2.0
235.11137	2.9
236.08325	2.3
237.09000	2.9
241.08501	1.9
243.13786	5.0
244.08765	1.9
245.09573	7.1
246.06715	2.7
247.07526	27.6
248.08305	20.8
249.05362	2.4
249.09187	7.1
250.06325	3.7
251.06998	3.0
254.05789	1.8
258.06729	3.9
259.07544	8.4
260.08182	3.6
261.05579	3.4
261.09061	6.8
261.14792	7.5
262.06329	4.1
262.09848	8.8
263.06989	4.1
263.10626	15.9
264.07825	4.0
265.08557	9.5
266.09296	1.4
269.08066	2.5
273.09073	2.5
274.06262	1.4
274.09680	1.3
275.07019	11.4
276.07831	16.9
277.04926	3.6
277.08545	9.9
278.05713	3.9
278.09052	2.1
279.06558	3.5
279.10059	5.0
280.07129	2.0
280.10553	2.4
287.06952	2.4
289.08508	4.5
290.09192	8.7
291.06686	3.1
291.10086	28.7
292.07248	9.0
292.10748	3.0
293.08072	20.0
294.08731	4.9
295.05978	2.8
303.06604	1.8
304.07199	4.5
305.08057	7.7
305.11722	4.3
306.05170	2.1
306.08652	2.7
307.06149	2.8
307.09616	14.9
308.10388	11.5
309.07706	2.2
309.11224	3.7
310.08377	2.6
315.08664	5.4
318.08881	4.0
319.09647	13.4
320.06744	2.8
320.10394	4.3
321.07529	6.9
321.11145	3.0
322.08246	8.5
322.12061	3.7
323.05450	2.7
323.09344	1.7
323.12747	19.6
324.05420	1.6
325.10599	4.2
329.10205	3.2
330.10944	5.0
335.08987	5.3
336.09988	12.3
337.06796	2.3
337.10693	29.6
338.07849	4.8
339.12366	2.0
347.14697	1.7
350.11346	2.8
351.12292	37.7
352.12949	19.7
353.10214	20.3
353.14426	1.8
365.15955	2.4
367.11438	1.3
368.12592	21.2
383.14832	100.0
384.15311	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
67.05490	1.2
69.03423	1.2
69.07069	1.1
69.14999	0.6
69.34945	1.3
69.35355	4.8
70.06609	0.9
71.04978	1.6
79.05494	1.3
81.07060	2.3
83.04953	1.6
83.08595	0.7
91.05469	1.9
93.07032	2.3
95.04953	1.0
95.08590	1.8
100.11257	4.3
102.49944	0.6
105.07030	2.0
107.04947	1.1
107.08587	2.7
109.06499	0.6
111.04443	1.0
115.05447	1.4
117.06895	0.7
119.04951	1.1
119.08589	1.4
121.10110	1.1
122.07327	0.8
123.08051	1.0
123.11716	0.6
127.90392	0.7
128.06216	1.0
129.06993	1.4
131.08580	0.9
133.06433	0.7
133.10126	2.7
135.08025	1.7
135.11673	0.9
137.05917	0.7
137.09595	1.4
138.09962	0.7
141.06984	2.6
143.08531	1.1
143.10709	0.8
144.05714	0.8
145.10109	0.8
147.11682	1.4
148.19199	0.6
149.06042	0.9
157.06458	2.8
157.07629	0.6
158.07262	1.3
159.07996	0.9
165.05519	0.7
165.06976	2.1
167.07077	1.5
169.06517	2.2
169.53545	0.6
170.07295	2.9
177.05539	0.9
177.06966	0.7
178.07692	1.5
179.08617	0.8
180.09515	0.6
181.06432	1.2
182.15475	1.3
185.06049	0.8
186.06772	3.1
188.69508	0.7
189.07043	2.0
190.07761	2.2
191.07005	1.7
191.08577	4.7
192.09367	1.0
194.07272	1.7
195.08078	1.5
197.05920	0.7
198.06924	0.7
200.08354	1.6
201.09140	2.6
202.07776	5.8
203.08508	5.2
204.09346	0.8
205.06581	3.2
205.08359	1.3
205.10168	1.8
206.07304	1.1
207.08032	2.5
208.05225	1.1
208.08763	1.0
209.09654	1.0
210.14851	1.3
211.07539	0.8
215.08676	3.9
216.09364	0.9
217.10143	1.9
218.07286	5.6
219.08046	12.5
219.10083	0.9
220.08797	6.9
221.06036	1.5
221.09676	1.7
222.06821	1.8
223.07539	1.9
223.11128	0.9
229.08546	8.2
230.07158	4.2
231.08081	12.6
231.10190	1.5
232.08723	3.3
233.06000	2.8
233.09633	7.2
234.06802	3.1
234.10371	2.6
235.07526	2.8
235.11273	2.3
236.04591	0.8
236.08322	2.1
237.09044	3.2
243.07930	0.9
244.08833	2.5
245.05742	1.1
245.09541	4.8
246.06834	3.0
247.07541	20.1
248.08318	18.2
249.05415	1.6
249.09090	5.0
250.06264	3.4
251.07037	2.9
251.10782	1.3
253.08543	0.8
258.06772	2.6
259.07547	7.0
260.08319	3.1
261.05521	2.1
261.09100	7.5
261.20465	0.7
262.06525	3.1
262.09857	6.6
263.07077	3.3
263.10660	12.3
263.13278	1.2
264.07828	4.1
264.10840	1.3
265.05688	1.0
265.08606	8.2
266.09348	1.0
267.06415	0.8
269.08081	2.5
273.05548	1.0
273.09055	2.6
274.06375	1.8
274.09811	0.8
275.07025	12.5
276.07776	15.3
277.05026	3.9
277.08600	10.9
277.11752	1.2
278.05692	3.0
278.09119	1.5
279.06580	2.6
279.10181	3.8
280.07343	1.5
280.10965	1.8
281.08444	0.7
282.09012	0.8
287.07074	1.8
288.07632	0.9
289.05365	1.2
289.08618	3.1
290.05930	1.3
290.09311	6.4
291.06702	1.8
291.10104	23.2
292.07288	8.8
292.10751	1.9
292.14554	0.9
293.08063	15.4
293.11383	1.3
294.05359	0.7
294.08743	3.9
295.06021	2.1
297.11099	1.0
301.08420	0.8
302.59467	0.7
303.06528	1.6
304.07324	4.2
305.08081	6.3
305.11734	3.5
306.05405	1.3
306.08801	2.4
307.05978	2.6
307.09656	13.3
308.10385	10.4
309.07709	1.4
309.11136	3.1
310.08228	2.1
310.75784	1.3
315.08575	4.8
318.08856	3.4
319.09622	11.2
320.06744	2.0
320.10373	3.5
321.07574	7.9
321.11169	3.1
321.14584	0.6
322.08301	5.4
322.12000	3.4
323.05484	1.9
323.09119	1.3
323.12708	17.2
325.10693	1.9
326.11584	0.9
329.10175	2.4
330.11023	2.9
333.11258	1.8
335.09140	3.4
336.09882	9.7
337.07278	0.9
337.10696	22.9
337.14703	1.5
338.07797	4.1
338.11252	0.8
339.08453	1.2
339.12146	1.2
350.11417	3.2
351.12244	32.3
352.08740	0.8
352.13010	16.9
353.10117	15.0
354.10693	1.0
367.12088	1.0
368.12512	23.2
369.12918	0.8
383.14893	100.0
384.15216	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
67.05490	1.2
69.03423	1.2
69.07069	1.1
69.14999	0.6
69.34945	1.3
69.35355	4.8
70.06609	0.9
71.04978	1.6
79.05494	1.3
81.07060	2.3
83.04953	1.6
83.08595	0.7
91.05469	1.9
93.07032	2.3
95.04953	1.0
95.08590	1.8
100.11257	4.3
102.49944	0.6
105.07030	2.0
107.04947	1.1
107.08587	2.7
109.06499	0.6
111.04443	1.0
115.05447	1.4
117.06895	0.7
119.04951	1.1
119.08589	1.4
121.10110	1.1
122.07327	0.8
123.08051	1.0
123.11716	0.6
127.90392	0.7
128.06216	1.0
129.06993	1.4
131.08580	0.9
133.06433	0.7
133.10126	2.7
135.08025	1.7
135.11673	0.9
137.05917	0.7
137.09595	1.4
138.09962	0.7
141.06984	2.6
143.08531	1.1
143.10709	0.8
144.05714	0.8
145.10109	0.8
147.11682	1.4
148.19199	0.6
149.06042	0.9
157.06458	2.8
157.07629	0.6
158.07262	1.3
159.07996	0.9
165.05519	0.7
165.06976	2.1
167.07077	1.5
169.06517	2.2
169.53545	0.6
170.07295	2.9
177.05539	0.9
177.06966	0.7
178.07692	1.5
179.08617	0.8
180.09515	0.6
181.06432	1.2
182.15475	1.3
185.06049	0.8
186.06772	3.1
188.69508	0.7
189.07043	2.0
190.07761	2.2
191.07005	1.7
191.08577	4.7
192.09367	1.0
194.07272	1.7
195.08078	1.5
197.05920	0.7
198.06924	0.7
200.08354	1.6
201.09140	2.6
202.07776	5.8
203.08508	5.2
204.09346	0.8
205.06581	3.2
205.08359	1.3
205.10168	1.8
206.07304	1.1
207.08032	2.5
208.05225	1.1
208.08763	1.0
209.09654	1.0
210.14851	1.3
211.07539	0.8
215.08676	3.9
216.09364	0.9
217.10143	1.9
218.07286	5.6
219.08046	12.5
219.10083	0.9
220.08797	6.9
221.06036	1.5
221.09676	1.7
222.06821	1.8
223.07539	1.9
223.11128	0.9
229.08546	8.2
230.07158	4.2
231.08081	12.6
231.10190	1.5
232.08723	3.3
233.06000	2.8
233.09633	7.2
234.06802	3.1
234.10371	2.6
235.07526	2.8
235.11273	2.3
236.04591	0.8
236.08322	2.1
237.09044	3.2
243.07930	0.9
244.08833	2.5
245.05742	1.1
245.09541	4.8
246.06834	3.0
247.07541	20.1
248.08318	18.2
249.05415	1.6
249.09090	5.0
250.06264	3.4
251.07037	2.9
251.10782	1.3
253.08543	0.8
258.06772	2.6
259.07547	7.0
260.08319	3.1
261.05521	2.1
261.09100	7.5
261.20465	0.7
262.06525	3.1
262.09857	6.6
263.07077	3.3
263.10660	12.3
263.13278	1.2
264.07828	4.1
264.10840	1.3
265.05688	1.0
265.08606	8.2
266.09348	1.0
267.06415	0.8
269.08081	2.5
273.05548	1.0
273.09055	2.6
274.06375	1.8
274.09811	0.8
275.07025	12.5
276.07776	15.3
277.05026	3.9
277.08600	10.9
277.11752	1.2
278.05692	3.0
278.09119	1.5
279.06580	2.6
279.10181	3.8
280.07343	1.5
280.10965	1.8
281.08444	0.7
282.09012	0.8
287.07074	1.8
288.07632	0.9
289.05365	1.2
289.08618	3.1
290.05930	1.3
290.09311	6.4
291.06702	1.8
291.10104	23.2
292.07288	8.8
292.10751	1.9
292.14554	0.9
293.08063	15.4
293.11383	1.3
294.05359	0.7
294.08743	3.9
295.06021	2.1
297.11099	1.0
301.08420	0.8
302.59467	0.7
303.06528	1.6
304.07324	4.2
305.08081	6.3
305.11734	3.5
306.05405	1.3
306.08801	2.4
307.05978	2.6
307.09656	13.3
308.10385	10.4
309.07709	1.4
309.11136	3.1
310.08228	2.1
310.75784	1.3
315.08575	4.8
318.08856	3.4
319.09622	11.2
320.06744	2.0
320.10373	3.5
321.07574	7.9
321.11169	3.1
321.14584	0.6
322.08301	5.4
322.12000	3.4
323.05484	1.9
323.09119	1.3
323.12708	17.2
325.10693	1.9
326.11584	0.9
329.10175	2.4
330.11023	2.9
333.11258	1.8
335.09140	3.4
336.09882	9.7
337.07278	0.9
337.10696	22.9
337.14703	1.5
338.07797	4.1
338.11252	0.8
339.08453	1.2
339.12146	1.2
350.11417	3.2
351.12244	32.3
352.08740	0.8
352.13010	16.9
353.10117	15.0
354.10693	1.0
367.12088	1.0
368.12512	23.2
369.12918	0.8
383.14893	100.0
384.15216	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50774	0.2
54.98623	0.3
56.55814	0.2
56.96563	9.4
65.15428	0.2
71.14037	0.2
71.23244	0.1
71.56605	0.3
71.95259	1.3
74.97637	0.2
98.96252	0.2
98.97576	38.5
116.98614	54.7
117.98956	0.3
118.12177	0.2
119.01891	0.4
134.99651	65.2
136.00047	0.4
137.00069	0.3
137.03055	0.2
140.00166	1.4
149.01169	0.2
153.00703	16.5
158.01253	3.5
176.02319	0.9
177.00908	1.1
178.01019	0.2
179.00700	0.2
181.97360	0.3
192.98712	0.7
202.56854	0.2
210.99881	0.2
212.16948	0.2
216.98703	0.8
217.98729	0.2
219.01991	1.6
220.02130	0.7
221.01950	0.3
225.96223	0.2
234.99881	3.4
236.00040	0.8
236.99702	0.2
240.98616	5.0
244.61893	0.2
253.01102	0.3
254.01183	0.3
258.99771	45.6
260.00070	2.9
260.02783	0.4
260.99994	0.4
261.03113	1.1
262.03122	0.5
263.02939	0.8
264.98587	0.2
274.97650	0.7
275.97989	0.3
276.02332	0.2
277.00815	100.0
278.01016	6.0
279.01254	1.1
282.01352	3.3
282.99936	5.7
284.00085	2.2
284.99991	0.5
291.02457	0.4
292.98883	0.2
295.01813	1.8
298.97534	0.2
300.02408	7.9
301.00998	15.1
302.01151	5.0
303.00885	1.6
316.98895	0.7
317.98975	0.3
318.98849	0.2
319.02036	1.0
320.02054	0.4
324.02618	0.7
325.02762	0.4
335.00049	0.2
341.01962	0.4
359.01578	3.0
360.01855	0.3
377.02637	1.4
382.99509	0.4
383.03998	0.4
401.00912	4.1
402.01303	0.5
402.30237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01872	2.4
55.05500	3.2
56.05027	2.0
56.83652	1.4
57.03431	2.2
60.04520	31.8
65.03923	1.3
67.05492	4.8
69.03413	6.0
69.07049	1.9
70.06584	3.9
70.88380	1.3
70.88749	3.5
71.04984	1.3
72.78899	1.2
73.02892	2.3
79.05486	6.1
80.05002	1.3
80.35172	1.3
81.03416	5.5
81.07060	7.5
83.04958	2.9
84.04484	1.6
84.08128	1.9
85.02898	15.6
86.09700	6.8
87.00821	4.5
91.05472	5.7
93.07031	5.2
95.04958	2.5
95.08594	6.8
97.02881	5.1
97.06549	1.6
98.06047	1.2
99.04445	2.2
99.08086	100.0
105.01864	3.5
105.07025	3.7
105.19360	1.1
107.05015	1.3
107.08559	2.6
109.02871	2.7
109.10164	2.0
110.07146	3.9
111.08064	1.4
115.03934	1.4
116.98641	1.5
117.06997	1.8
117.09118	14.1
118.08675	1.2
119.08585	2.8
120.08160	1.5
120.21600	1.1
121.06465	1.8
123.04395	2.4
123.08092	1.4
127.03905	5.1
131.08595	2.1
135.04369	1.3
135.11655	1.7
136.07591	2.6
145.05014	2.7
147.04320	2.0
149.05856	1.5
161.06024	1.5
163.03900	5.7
164.07095	1.6
165.05428	1.5
179.03354	2.2
185.11758	1.4
191.03300	1.7
203.03398	1.3
203.12636	1.3
220.05833	9.9
220.09514	1.2
292.22540	2.4
310.23581	3.4
328.24927	7.1
346.25851	12.5
364.26901	13.1
371.53192	1.2
382.27933	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.9
55.05506	16.8
56.83491	2.1
57.03425	4.6
57.07068	3.2
64.32279	2.0
65.03944	3.9
66.81439	1.9
67.05502	98.3
69.07061	17.8
69.46017	15.5
71.04988	3.0
75.04487	2.0
79.05484	35.4
81.03379	3.1
81.07053	100.0
83.08616	13.1
85.10161	2.6
87.95490	1.7
91.05484	19.3
93.07035	48.1
95.04926	4.4
95.08598	84.9
97.06538	2.5
97.10180	5.2
105.07033	14.8
107.08594	28.2
109.09455	3.4
109.10149	38.9
117.06986	5.8
119.08593	14.3
121.10124	22.9
123.11700	21.0
124.14948	2.1
131.08585	13.6
133.10133	11.4
135.11681	17.9
136.85594	2.1
137.09573	2.1
137.13249	7.6
143.08562	3.4
145.10149	11.6
147.11685	8.6
147.84854	1.7
149.13181	11.2
151.11183	2.0
151.14867	1.8
155.18896	1.9
159.11703	10.3
161.13228	3.8
163.14769	5.2
173.13309	10.3
177.16405	2.7
187.14830	5.0
189.16481	2.2
201.16234	3.5
207.84752	2.4
215.17978	2.2
261.25726	4.2
271.24133	6.8
289.25223	73.0
290.25565	2.6
307.26126	6.2
311.82385	2.4
363.28934	8.2
381.24625	1.7
381.29938	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1706
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.53222	13.3
52.29269	12.9
56.96547	16.2
60.04545	14.7
65.03937	14.8
66.74034	12.1
69.03409	27.7
71.57457	16.5
76.71380	12.6
79.05487	16.5
81.03385	12.7
81.07056	19.9
84.04503	16.2
85.02895	33.3
86.09667	14.7
89.03940	19.3
90.05556	63.4
90.94923	12.0
95.04931	21.6
95.06066	33.8
99.08086	55.8
100.69176	13.0
116.03454	20.7
120.08113	34.9
124.07578	15.0
127.12447	11.9
128.88898	13.5
134.99632	12.7
135.04442	14.6
136.07617	20.7
155.05809	15.1
162.05374	15.7
163.03877	38.4
168.42810	14.8
175.12845	13.1
184.09731	16.4
202.10741	33.1
220.11810	100.0
279.16724	14.3
282.29395	15.3
328.24915	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.7
55.05509	9.2
56.96560	1.8
57.03426	4.1
57.07065	2.6
59.90215	1.5
60.04568	1.6
67.05503	21.0
69.06726	1.9
69.07060	11.0
71.04968	2.2
71.08620	5.0
71.31263	1.9
71.57991	2.5
77.91266	1.6
79.05498	13.9
81.07060	19.3
83.05006	2.6
83.08612	2.6
84.08101	1.8
85.02905	2.6
85.06556	4.0
86.09758	2.1
91.05480	13.5
93.07036	20.3
95.04957	15.0
95.08614	13.4
97.06528	6.5
97.10153	2.8
98.78269	1.7
99.08116	2.8
105.03387	4.3
105.07019	17.0
107.04939	3.2
107.08582	12.9
109.06509	29.9
109.10149	5.8
111.08109	2.7
115.05403	1.8
117.07001	3.5
119.04895	2.1
119.08588	12.7
121.06510	19.5
121.10125	8.1
123.04433	8.1
123.08063	5.3
131.08560	10.2
133.02855	4.0
133.10132	6.8
135.08041	7.4
135.11665	3.8
137.09650	2.2
139.11182	2.9
141.07004	2.2
145.10098	11.8
147.11697	2.8
149.09604	3.9
149.13292	2.4
151.03902	5.0
155.08644	3.2
157.10133	3.7
159.11700	6.8
161.06004	2.5
163.11171	16.4
165.12743	36.2
173.13240	2.5
175.11127	2.1
179.03383	86.8
180.03654	2.8
183.11649	2.0
187.14777	2.6
191.14249	9.2
195.11636	2.1
203.10693	8.4
221.15277	2.1
233.15395	4.1
243.21040	2.5
245.08115	11.0
245.10280	2.9
255.06593	2.5
261.22119	14.6
289.21600	100.0
290.21881	4.3
296.20755	2.1
307.22617	4.7
309.11111	1.9
323.16272	1.9
325.10587	2.5
361.02521	2.2
381.16312	3.5
381.26321	33.1
382.26163	6.7
384.79181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19876	2.6
53.03929	10.3
55.01866	38.6
55.05504	33.6
56.96559	10.3
57.03432	48.0
64.58674	3.5
65.03936	7.3
67.05500	90.1
69.03426	9.8
69.07057	31.6
69.94064	17.3
71.04996	5.7
73.02896	2.9
79.05485	82.6
81.02996	3.5
81.03394	20.4
81.07056	79.1
83.01341	8.7
83.04977	41.4
83.08611	14.2
85.02892	3.6
85.06544	9.0
91.05473	90.3
93.07042	68.9
94.81448	3.5
95.04954	65.6
95.08595	40.2
97.02891	18.5
97.06525	12.8
97.10159	7.5
98.07327	4.1
98.20817	5.0
98.94732	3.5
103.05449	5.9
105.04498	4.4
105.07027	65.0
107.04942	100.0
107.08605	34.8
108.05728	5.6
109.02893	3.5
109.06505	37.6
109.10158	20.4
110.07345	4.0
111.04445	9.4
111.08074	5.2
112.05218	7.1
113.06041	3.8
115.05479	7.7
116.04667	3.7
116.98608	3.6
117.07003	39.8
119.04942	10.7
119.08580	44.6
120.05693	6.0
121.06508	26.0
121.10143	19.5
122.07269	15.1
123.04424	10.7
123.08054	13.6
123.11704	7.5
125.06016	6.1
125.09644	5.2
128.06242	6.9
129.05507	5.4
129.07001	25.2
131.04912	5.4
131.08559	42.2
133.05539	5.5
133.06459	31.2
133.10081	23.6
134.33383	3.1
135.04434	6.3
135.08052	23.8
135.11678	9.0
137.06015	5.5
137.09598	7.7
141.06914	8.1
143.08546	16.5
145.06480	22.5
145.10118	25.9
147.08047	31.3
147.11688	11.8
149.06001	5.3
149.09613	8.5
149.13248	5.7
151.07538	4.7
153.09015	4.1
155.08559	7.9
157.10149	9.0
159.08032	12.1
159.11693	11.5
161.06039	5.6
161.09625	13.9
161.13223	7.5
162.10373	8.2
163.07552	13.3
163.11163	13.0
165.09172	5.6
169.10146	11.4
171.07915	2.9
171.11693	11.6
173.09705	3.5
173.13284	13.3
175.07529	4.5
175.11205	5.3
177.12704	4.7
179.03474	4.5
187.14861	10.9
189.12782	4.3
191.10745	3.9
197.13220	7.9
203.14282	4.0
205.15926	7.8
215.14326	12.0
225.16397	3.3
233.15359	49.9
251.16382	7.1
261.14941	8.8
273.18546	6.5
283.06314	5.2
285.09995	5.6
289.17987	6.5
290.18756	5.5
307.19046	17.4
324.00204	3.2
335.18478	44.2
363.21613	4.0
381.09225	7.2
381.18549	4.2
381.22839	23.1
381.28189	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65744	0.7
55.01859	1.1
55.05515	4.0
56.96548	2.8
57.03429	2.6
61.94117	0.7
67.05508	5.6
69.03416	1.6
69.07067	4.0
70.06580	0.7
70.78178	2.2
71.04982	1.9
79.05486	5.1
81.03425	1.8
81.07040	8.5
83.04964	2.7
83.08607	2.3
84.08115	0.9
85.02874	1.0
91.05484	5.6
93.07036	6.3
95.04961	3.1
95.08606	4.8
97.06513	2.4
99.08092	0.8
105.07027	7.1
107.04958	1.6
107.08611	5.3
109.02844	0.8
109.06519	3.1
109.10129	2.4
111.04445	1.2
111.08070	1.3
117.06989	1.7
119.04948	0.8
119.08541	4.3
121.06541	1.1
121.10111	2.3
123.08060	2.3
123.11691	1.5
125.09612	1.6
128.06346	1.0
129.06987	1.3
131.08557	3.6
133.06476	0.9
133.10127	4.3
135.08069	1.2
135.11650	1.9
137.09569	1.8
142.07780	0.9
143.08583	1.3
145.10136	3.4
147.08032	0.9
147.11682	2.1
149.02339	1.4
149.05971	1.4
149.09599	1.2
151.11188	1.0
153.09062	1.2
157.10112	1.8
159.11685	2.0
161.09595	1.3
161.13264	1.1
163.07513	1.4
163.11176	2.4
167.22154	0.8
169.10135	1.2
171.11670	1.4
173.09532	0.8
173.13333	1.2
183.11702	1.2
185.13289	0.8
191.06894	0.7
191.10568	0.9
193.05016	1.3
195.09932	1.0
203.10707	1.7
209.11615	2.4
213.09557	1.0
219.10503	0.8
219.13695	1.1
229.07509	1.5
231.10783	0.9
231.16997	0.9
249.10953	5.8
275.20090	2.7
289.17996	2.1
295.15149	3.0
315.63559	0.8
381.22507	100.0
382.22742	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.4
56.96566	31.6
67.05495	2.5
69.07050	0.8
70.46571	0.8
71.04997	1.0
71.32153	1.7
71.32498	1.0
71.95256	3.2
72.96031	1.5
74.97597	1.1
79.05492	5.5
81.07051	4.9
83.04967	1.3
84.08118	1.4
84.96016	2.1
91.05470	2.4
92.98655	1.1
93.07028	1.9
95.04954	1.6
95.08576	3.1
97.96784	1.2
98.97578	2.2
105.07001	2.6
107.08590	2.8
110.97570	2.8
115.97839	1.6
116.51168	0.9
116.98605	2.0
119.08566	2.2
121.10181	0.9
125.02607	1.0
128.98592	9.1
131.08534	1.1
133.10129	0.9
134.99678	1.8
140.34947	1.0
143.00159	1.1
146.99660	12.0
149.01158	1.2
155.03812	1.8
157.10085	1.5
159.03183	0.9
161.01241	2.8
165.00777	1.6
171.03314	1.2
173.04877	1.6
179.02211	1.3
185.04855	2.5
189.04289	2.1
192.21841	0.9
197.04802	1.3
199.06435	6.1
201.04358	1.1
201.08012	1.4
203.05902	4.9
205.07628	1.2
211.02802	3.4
211.06461	2.1
213.08054	3.1
214.05070	1.3
215.02103	1.0
215.05804	1.8
217.07443	9.6
219.09010	2.0
223.08482	2.4
225.04347	2.9
225.07907	4.3
229.03935	1.4
229.07478	26.6
231.09059	5.5
232.06233	1.8
237.08028	1.9
239.05934	1.2
239.09572	2.0
241.07535	1.0
242.42400	1.0
243.05460	1.1
243.09027	4.5
245.10803	1.2
247.06009	1.7
247.08542	27.7
251.09535	2.7
252.09044	2.5
253.11116	3.8
255.09032	5.5
257.10577	3.2
261.10239	2.0
263.09714	1.0
265.11188	3.5
267.09103	1.0
268.09735	3.4
269.10599	6.2
270.10049	1.5
271.12180	3.0
273.10083	3.7
279.09058	1.6
283.12177	26.7
286.10895	3.8
287.11652	3.3
295.30823	1.0
297.10153	1.7
297.75153	1.0
301.13242	11.4
306.13895	3.5
311.11688	3.0
315.16455	2.4
329.12778	4.3
331.15839	9.3
333.17300	5.0
349.16858	13.9
351.18600	4.6
351.22610	0.9
361.21100	0.9
363.18442	2.6
367.17719	1.0
381.19464	100.0
381.26364	10.5
382.19934	2.9
399.20587	12.6
401.28757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94206	1.1
55.01864	1.4
55.05493	1.1
60.04523	1.1
65.23644	1.1
67.05494	1.8
69.03426	2.6
71.36019	2.8
79.05482	1.8
81.03406	1.7
84.08161	1.4
85.02911	2.3
86.29027	1.1
91.05470	3.9
93.07030	2.7
95.04950	2.7
97.02887	1.6
105.07030	2.2
107.04937	1.5
107.08556	1.9
109.02882	1.3
109.41598	1.1
117.25560	1.0
119.08537	1.8
120.08109	1.2
122.02324	1.1
129.06996	1.2
133.10143	1.5
134.06050	1.5
136.07564	1.4
143.08606	1.2
148.07626	1.8
152.07062	2.3
160.07597	1.7
161.09639	1.2
164.07101	2.1
166.06424	1.2
172.07561	2.1
173.07127	3.1
174.05501	3.4
183.09184	2.2
184.07649	1.9
186.05597	1.3
187.08737	5.5
188.07095	3.3
189.10266	1.7
196.06256	2.0
196.09694	1.2
197.07062	2.3
199.08667	2.9
200.07086	2.3
201.06564	4.6
201.10248	2.1
203.08290	1.5
205.09778	1.8
206.94090	1.2
210.07663	1.7
211.08633	10.5
212.07056	1.8
213.06546	3.3
213.10239	1.8
214.08765	2.1
215.08142	17.5
215.11494	1.4
216.08786	1.8
217.09708	1.9
219.06432	2.1
221.07062	3.1
224.05663	2.6
225.06595	3.0
227.04514	1.6
227.08118	4.9
229.06073	2.6
229.09714	7.2
231.11304	1.9
233.09262	4.6
239.08128	31.6
241.09686	1.7
242.08199	1.6
242.10497	4.1
243.07661	23.7
243.10216	1.7
243.11292	2.0
244.08560	1.8
245.09212	4.6
247.10791	1.3
249.06575	1.8
253.06017	1.8
257.09213	13.9
258.07489	1.4
259.10892	1.2
261.08643	9.0
267.07635	100.0
269.09210	3.1
271.07150	5.3
271.10760	1.8
272.07867	2.8
273.08649	1.7
275.10062	2.7
279.09741	2.0
285.08688	67.2
287.10297	3.5
289.08163	12.1
289.11554	2.8
291.13354	2.9
295.07043	9.4
303.09732	9.7
303.13370	18.0
307.09579	2.5
307.12894	2.2
313.08163	62.0
319.12793	7.5
321.10736	10.0
321.14456	7.3
331.09244	71.5
331.12842	9.1
339.11826	9.5
349.10165	4.2
349.13931	13.4
363.11667	9.7
381.12476	13.5
381.16602	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63087	0.6
67.05498	1.4
70.83635	0.8
70.83994	2.1
79.05502	1.6
80.22746	0.8
81.03450	0.6
85.02880	0.8
93.07039	1.6
95.01325	1.9
95.04971	3.5
100.73862	0.7
105.03397	5.3
107.04953	1.9
108.06447	0.6
123.04425	10.5
126.98144	0.7
133.02884	3.8
151.03920	5.5
161.01088	0.6
161.02354	1.5
161.06006	4.0
179.03403	100.0
180.03717	1.8
203.10674	10.9
211.04251	0.7
212.93343	0.7
229.08545	1.0
245.08083	10.7
245.10413	1.0
259.43692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35678	5.6
69.51330	44.9
75.16145	5.9
96.73518	5.6
98.31702	5.5
110.49732	5.8
138.21164	5.5
189.84253	6.1
219.02704	9.2
283.42282	6.7
311.35129	5.4
313.61172	6.5
381.07928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77836	5.6
60.39031	5.7
63.95191	6.5
70.11806	26.5
80.00535	6.4
98.21466	8.8
121.33599	6.0
153.62494	6.7
162.58621	6.0
219.02760	10.2
289.60608	7.1
381.07947	100.0
382.08414	6.7
395.49649	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40007	2.3
56.96301	2.6
56.96563	45.7
57.03425	3.9
61.02927	2.8
62.35641	1.9
68.16544	1.9
69.03432	10.1
69.07053	2.3
70.06583	2.7
71.13406	3.2
71.13724	2.9
73.02915	5.5
74.97639	2.6
81.03400	5.0
84.08132	3.2
84.96030	5.7
85.02916	12.9
87.04455	2.6
96.08109	3.1
97.02877	8.9
98.97579	100.0
99.45528	2.0
110.07130	2.4
110.97555	9.7
112.99131	8.4
115.00687	5.2
116.97824	4.4
116.98614	65.9
119.01908	6.9
127.03942	3.2
128.98605	24.6
129.02217	9.3
131.00186	16.6
131.01833	4.2
133.01692	8.2
133.03497	12.9
134.99643	24.6
140.10626	2.1
143.00200	2.6
143.01859	4.7
145.01711	4.5
145.03461	3.4
146.08147	4.5
146.99660	16.5
147.03293	27.0
147.05055	4.1
147.08472	3.8
149.01221	10.0
151.02763	5.1
155.01852	6.8
157.01689	2.4
157.03433	3.7
158.99628	12.6
159.03239	13.0
159.05051	5.0
161.01237	5.3
161.02940	4.8
162.99257	2.5
163.02762	5.4
165.00693	5.0
165.04320	6.1
165.11020	3.4
167.02235	3.2
170.99655	3.5
171.03337	2.8
171.04941	3.5
173.01324	2.5
173.02939	9.4
175.02811	4.2
175.04514	4.8
177.00716	22.6
177.04349	46.9
177.05898	1.6
183.03423	4.4
183.05026	4.6
185.06465	2.7
189.00706	8.1
189.04337	11.6
189.05855	2.4
193.03790	2.2
195.01736	2.6
195.05431	29.8
195.07069	3.3
201.00774	3.3
201.04349	28.1
201.13272	2.4
202.54137	2.3
203.02202	2.6
205.03731	2.6
207.01796	2.8
218.13875	10.9
219.01758	24.8
219.05348	20.6
219.07199	7.9
219.14188	21.8
221.05034	9.2
223.04732	2.1
224.19749	2.3
231.07219	13.1
233.08896	2.5
237.02808	67.4
243.05389	4.5
245.05083	8.4
255.03783	4.6
255.07162	3.3
261.02942	2.9
261.06134	4.5
261.08560	2.4
273.08273	3.1
275.93362	2.5
277.05914	3.3
279.03946	2.7
279.09369	6.1
295.07004	19.1
309.13754	2.4
321.08707	93.6
339.09592	92.4
362.11331	5.4
381.06836	2.5
381.10886	9.6
381.19455	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
53.89528	0.7
55.01868	14.3
55.05502	5.4
56.96555	1.7
57.03433	0.9
60.65955	0.7
62.49208	0.6
65.03925	0.9
67.05500	6.9
68.05027	3.0
69.03444	1.7
69.07059	2.0
70.02953	2.8
70.06589	16.4
70.58711	1.9
70.59110	1.6
71.04987	8.0
72.04496	0.8
79.05483	4.2
80.05009	1.2
81.03413	3.0
81.07051	4.1
82.06599	0.7
83.04980	1.8
83.08609	3.3
84.04497	2.7
84.08138	1.2
91.05476	5.2
93.07032	2.9
94.06560	3.3
94.65550	0.8
95.04949	3.5
95.08585	2.4
96.08114	4.2
97.06547	1.4
97.10138	1.3
98.06040	1.8
100.07615	1.7
100.11250	3.1
105.07011	4.6
106.06544	1.6
106.07292	0.7
107.04913	1.2
107.08578	2.5
108.08086	1.3
109.06503	1.7
109.10132	1.5
111.04426	1.3
112.07616	2.1
114.05488	2.3
116.07105	1.6
117.07007	2.3
118.06509	1.1
119.04964	0.9
119.08569	3.1
120.08099	2.3
121.10095	0.9
122.06017	33.3
122.09654	4.5
123.06270	0.7
124.07590	0.7
125.09649	0.8
128.07063	2.1
131.08572	1.5
132.08089	1.4
133.10132	1.9
134.09633	9.5
135.08081	1.1
140.07054	99.2
141.07393	1.6
142.08615	5.4
144.06511	0.8
145.10155	1.5
147.08017	1.0
147.11693	2.2
149.09663	1.0
154.12231	4.2
157.10138	1.3
162.09123	7.6
163.07498	0.8
164.07071	2.7
164.10664	1.1
168.06554	100.0
169.06891	1.7
171.14919	1.5
175.11147	1.9
178.08649	1.8
180.10185	10.3
182.15405	3.2
189.11214	1.9
189.12708	0.8
190.08682	1.0
193.12195	2.7
194.08102	0.8
208.09680	33.7
209.10081	1.1
210.14915	3.7
211.13226	1.7
216.77635	0.7
219.06664	0.8
221.11513	0.9
239.12856	0.9
247.13286	0.9
281.18710	3.6
296.18411	1.5
297.99390	0.8
306.20435	1.2
316.18964	0.8
321.37106	0.7
334.20023	5.8
352.21207	12.6
353.21530	0.9
362.19461	3.2
380.20657	17.8
380.28763	2.6
381.18222	1.4
381.22476	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84580	1.0
64.02157	1.4
65.18870	1.2
67.05509	1.7
69.07030	1.4
70.03596	5.9
73.14051	1.2
73.29827	1.1
79.05515	1.6
81.07070	1.8
87.47276	1.4
93.07073	1.4
95.08601	1.4
97.10171	1.1
98.14332	1.1
102.33495	1.2
107.08545	1.6
113.87171	1.2
131.08450	1.3
181.10005	1.1
192.19568	1.2
196.94589	1.4
212.29289	1.1
219.17438	1.6
228.58199	1.1
240.36127	1.1
243.09929	92.3
244.10458	2.3
293.13708	3.9
339.03558	1.1
379.15176	100.0
379.20300	3.8
380.15524	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28762	0.8
57.03030	0.8
63.64858	0.7
63.91908	0.7
66.01969	0.8
67.05499	1.5
71.58469	0.8
79.05464	1.1
81.07049	2.1
91.05467	1.2
93.07024	1.9
94.14477	0.8
95.04893	1.0
105.06974	1.5
107.08559	1.0
107.75922	0.9
118.24176	0.8
121.10152	1.0
122.64548	0.8
133.06438	0.8
145.10083	1.1
147.38104	0.9
157.10139	1.1
161.41884	0.9
207.90678	0.8
211.12120	0.9
211.26218	0.9
240.53354	0.9
251.46992	0.9
261.14813	0.9
379.24454	100.0
379.28229	8.5
380.24673	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
67.05489	2.2
69.07056	2.3
69.60342	5.5
79.05467	2.1
81.07035	2.8
83.08587	0.9
91.05481	2.2
93.07056	3.6
95.04966	1.1
95.08607	3.6
97.91245	0.7
105.07027	3.4
107.08583	2.9
109.10128	1.4
119.08569	2.9
121.10124	1.5
123.11687	0.9
126.09135	0.7
133.10139	1.3
135.11653	1.9
142.33974	0.7
145.10141	1.4
147.11673	1.2
149.13260	1.2
175.14841	0.9
187.14896	0.8
195.36134	0.8
205.08307	0.9
224.74402	0.8
269.22540	0.8
287.23688	2.4
293.48224	0.7
379.24493	100.0
379.28021	5.0
380.24686	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01860	1.9
55.05499	2.0
56.05030	1.3
56.96564	12.4
57.03426	3.5
61.02921	5.3
61.52396	0.9
67.05508	1.0
68.05032	1.0
69.03425	15.7
69.07049	4.0
70.06585	4.1
71.02193	2.1
71.04996	1.3
73.02892	3.4
74.06086	1.7
79.05511	1.3
81.03418	6.5
82.06561	1.7
83.04965	1.7
84.04502	1.2
84.08121	2.9
84.96016	2.3
85.02900	22.8
87.04474	4.5
91.03940	1.4
91.05470	1.2
93.07037	1.7
94.06561	2.0
95.08549	1.3
96.08128	12.8
97.02898	13.2
98.06031	1.5
98.09689	2.6
98.97569	15.9
99.04433	2.8
100.07586	1.0
105.41712	0.9
108.08084	0.9
109.02863	3.2
110.06026	0.8
110.07147	1.0
110.97533	1.5
114.09155	10.4
115.00719	1.1
116.98611	11.7
119.01898	1.6
119.08560	1.2
120.01967	1.2
120.08112	1.4
122.05908	0.8
122.09666	4.0
127.03905	5.4
128.24754	0.8
128.98613	5.4
131.00140	1.0
131.01953	1.2
133.01724	3.3
133.03438	1.0
134.99628	4.9
136.11192	2.2
138.09145	3.3
138.12798	3.0
140.07077	1.0
140.10675	5.0
145.01714	1.4
145.04947	2.8
146.08113	29.5
146.09769	1.6
146.99666	6.9
147.03246	2.7
147.04349	1.1
149.01213	2.0
151.02699	1.3
152.07040	2.2
152.10739	1.8
156.10223	2.0
156.13817	1.2
158.11790	1.8
158.99681	2.9
159.03281	2.9
161.01204	2.3
161.03047	1.9
162.03098	1.1
163.03882	3.1
164.10706	14.4
165.00754	2.0
165.04332	1.4
170.99640	2.5
173.02939	1.8
176.99281	0.9
177.00706	5.1
177.04312	6.5
182.11734	10.7
189.00708	1.9
189.04346	1.0
195.05418	4.9
200.12802	15.2
201.00826	1.2
201.04283	2.9
204.04175	1.4
206.08095	1.4
218.08344	1.8
218.13866	100.0
219.01747	5.2
219.05409	2.0
219.14204	1.3
221.05096	1.5
237.02817	14.5
242.76643	0.9
255.03809	1.6
279.04022	1.5
291.46579	1.2
295.07117	3.5
308.13333	11.4
321.08325	12.0
337.08359	0.9
339.09616	11.1
344.17004	1.0
362.11261	1.0
362.18073	1.1
380.19128	64.0
381.19498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32235	1.3
55.86024	1.4
59.04664	1.4
60.71973	1.3
69.03422	2.2
81.07063	1.6
84.04460	1.7
85.02891	2.0
91.05482	17.9
95.04953	1.5
105.07071	1.5
109.02880	2.5
109.49580	1.7
119.01889	1.7
128.06203	1.5
141.57687	1.5
142.60201	1.5
147.11644	1.6
192.47878	1.4
227.05148	2.5
229.16357	1.7
271.04190	5.8
293.09900	7.2
311.09689	2.3
317.09808	2.2
335.11011	42.2
379.09970	100.0
380.10339	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2487
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
53.03941	1.2
54.62518	0.6
55.01867	1.3
55.05505	1.5
55.06606	0.6
56.05037	3.5
56.96569	0.8
57.03434	1.4
58.99589	1.0
60.04531	13.2
65.03933	0.9
67.05503	9.5
68.05033	4.4
68.99788	1.0
69.03429	3.5
69.07047	2.6
69.48913	4.3
69.49318	1.5
70.06593	7.1
71.04979	1.1
72.08144	1.7
73.02898	1.3
74.06068	0.6
75.37426	0.6
79.05490	5.6
80.05016	2.2
81.03421	3.0
81.07053	5.4
82.06577	6.0
83.04974	1.7
83.08608	1.1
84.04488	2.3
84.08144	6.7
85.02910	3.6
85.06538	0.7
85.88024	0.6
86.06081	1.2
86.09687	1.5
87.00814	1.2
87.04475	0.7
91.05474	5.2
93.07044	6.5
94.06569	8.7
95.04964	3.5
95.08601	4.1
96.08116	2.0
97.02898	1.5
97.06543	1.2
98.06084	1.3
99.04453	1.0
100.04006	0.7
100.07621	1.4
105.07029	4.5
106.06560	1.2
107.04960	1.6
107.08578	1.7
108.05785	0.6
108.08123	9.8
109.02846	1.1
109.06507	1.4
109.10137	1.6
110.06076	1.2
110.09692	0.9
111.04429	1.0
111.08090	0.7
112.02190	14.1
112.07605	8.2
114.09167	2.1
116.07075	2.1
117.07007	1.8
119.08552	3.0
120.08104	2.7
121.06509	2.8
121.10146	1.3
122.06015	0.9
122.09667	0.8
123.04460	0.7
123.08022	1.0
124.07616	1.1
125.02336	2.5
126.09214	0.9
127.03921	1.8
128.10739	0.7
129.05492	3.6
129.06982	1.4
130.03235	8.2
130.05814	2.1
130.08641	26.8
131.04919	1.3
131.08588	1.8
133.10138	1.7
134.09622	3.5
135.08034	0.9
135.11719	0.7
136.07576	6.2
137.02312	0.9
137.05980	1.1
137.09688	1.3
138.09161	2.0
142.08611	0.9
145.04887	0.9
145.10117	1.5
146.09657	0.9
147.08031	0.9
149.09589	0.6
152.10727	0.8
156.10275	0.8
158.10014	0.9
159.11684	1.0
161.09570	0.9
162.07741	0.8
162.09186	1.9
163.03952	0.8
164.07056	0.7
171.11728	0.6
173.06079	0.6
174.09062	3.1
180.10182	1.4
181.08572	1.6
190.08607	6.2
199.09674	1.2
202.08678	1.9
203.12169	1.1
205.08629	1.0
208.09630	1.0
216.12260	1.3
218.08041	3.5
219.11247	2.9
220.09734	2.1
233.13232	0.7
235.36191	0.7
238.18021	0.9
262.21771	0.9
264.19592	1.7
280.19150	0.9
280.22784	2.7
282.20609	7.9
288.19513	0.7
298.20120	2.4
300.21646	1.1
306.20538	1.4
316.24780	1.1
317.15207	1.1
318.22891	1.5
324.21753	3.7
342.22760	14.7
344.11215	1.0
351.15552	1.6
360.23807	15.7
361.13931	2.7
378.24866	100.0
379.14734	2.5
379.25223	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92756	5.3
55.05509	8.5
67.05496	9.9
69.03413	7.1
70.06588	16.8
70.13309	28.5
74.06055	9.0
79.05470	6.8
81.07038	7.0
84.08150	6.7
85.02879	11.6
86.09695	9.1
91.05482	20.3
95.04944	17.3
95.08589	6.6
103.05452	7.9
109.02900	10.3
110.09679	20.4
120.08091	10.3
127.03939	6.5
131.08546	12.9
138.09122	100.0
154.08632	7.1
172.08781	9.2
243.08849	44.1
244.09506	18.2
282.39758	5.9
342.22510	7.3
377.78882	6.5
378.15024	26.7
379.09656	39.3
393.97931	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.5
55.05507	9.2
56.05027	4.3
57.07069	3.3
58.06586	7.0
67.05502	16.2
68.05005	2.1
69.03448	2.0
69.07069	34.2
71.04995	2.2
71.08643	2.0
72.08149	12.0
79.05486	16.5
80.05006	4.7
80.45050	1.5
81.03420	3.6
81.07050	14.5
82.06575	3.6
83.04955	3.8
83.08607	2.9
84.04487	1.6
84.08136	2.5
85.06538	1.7
86.06046	2.5
91.05480	16.5
93.05774	2.2
93.07036	14.8
94.06576	11.3
95.04950	6.9
95.08614	11.7
96.04494	3.5
97.06525	11.3
97.10162	3.9
98.06050	6.5
105.07040	9.3
106.06558	4.4
107.04955	2.7
107.08601	8.5
108.04478	2.0
108.08130	3.1
109.06535	1.9
109.10172	5.7
109.32717	1.4
110.06043	29.9
111.08083	2.4
117.07027	3.6
118.06570	4.1
118.08710	1.9
119.08558	7.0
120.08104	5.6
121.06552	2.8
121.10141	3.8
122.06059	3.9
122.09662	2.2
123.08064	3.5
124.07619	2.1
125.09659	4.0
131.07352	2.3
131.08549	3.8
132.04453	2.0
132.08058	3.8
132.10205	38.9
133.05302	1.7
133.10126	7.9
134.06017	4.9
134.09644	2.8
136.07558	1.8
137.09624	3.4
138.05519	5.6
143.08487	2.6
145.10158	1.8
146.06010	1.8
146.09697	2.0
148.07513	2.5
148.11243	2.5
149.09599	2.0
150.05513	10.9
150.12839	1.6
156.20799	1.5
160.11229	6.7
161.09648	3.0
172.11310	2.1
174.12767	2.9
175.11182	2.4
176.07068	2.3
176.14333	1.5
177.12781	2.3
178.04980	2.3
178.12224	2.0
188.10733	5.6
189.11208	1.9
190.12190	2.4
192.13902	2.7
194.15483	8.4
202.12299	3.2
204.14075	2.1
206.11914	1.7
206.13844	3.7
212.16481	4.7
218.11752	5.4
218.15416	5.5
220.13353	6.9
234.14932	2.1
236.16420	10.5
238.14407	5.8
244.13454	2.5
246.14841	8.9
251.10806	3.6
262.14316	5.1
264.15979	8.4
272.19989	2.3
273.18253	1.9
274.14404	4.6
282.17041	5.3
286.21988	1.8
286.27429	41.9
290.13977	2.8
290.21158	6.1
291.19656	2.9
292.15436	9.0
304.22708	2.5
308.21811	2.3
314.21164	10.3
332.22266	31.5
333.22623	1.6
342.20630	18.3
350.23196	12.8
360.21680	69.0
361.21762	4.1
378.22778	20.6
378.32138	100.0
379.32211	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01867	3.3
55.05531	2.0
65.03941	2.8
67.05496	6.5
67.10934	1.9
69.03416	5.3
69.07067	57.7
70.06590	45.5
70.13373	4.2
70.13768	3.5
71.05031	1.6
79.05488	6.6
81.03418	6.2
81.07059	10.7
83.04992	5.6
84.04488	3.1
85.02905	3.0
91.05482	12.7
93.03410	2.8
93.07040	5.7
95.04963	9.8
95.08627	6.6
97.02864	3.8
97.06535	4.1
99.04537	2.0
100.11256	37.3
105.07031	6.5
107.04939	2.9
107.08570	3.9
108.08069	1.8
109.02899	3.9
109.06522	8.1
109.10181	2.4
110.06065	2.2
111.04462	2.3
113.47279	1.7
116.07075	5.5
118.06566	3.4
119.04940	2.6
119.08573	5.4
121.06507	3.2
121.10145	4.0
122.06027	3.3
123.08076	2.9
124.07604	2.3
125.09654	2.1
127.03869	1.7
129.06778	1.8
130.06532	4.3
131.08536	2.2
133.06453	2.8
133.10146	2.6
135.04422	2.2
136.07532	1.8
137.06081	2.1
137.09610	3.0
140.07062	100.0
144.04404	2.1
145.05014	1.7
145.06480	3.1
145.10121	4.0
146.06024	15.0
147.04367	3.0
147.08015	3.3
148.07603	2.8
149.09618	2.4
157.10150	3.5
159.07982	3.0
159.09189	5.3
159.11722	3.6
162.05492	2.5
163.07608	2.4
164.07059	1.8
164.10695	2.1
171.11557	2.3
172.03935	14.1
173.09595	2.0
174.05518	19.5
176.02423	1.9
178.08694	4.4
183.11438	2.6
185.13306	2.0
187.11086	3.6
189.09135	2.0
190.05003	4.8
192.10210	4.2
198.09189	2.1
203.10722	1.9
204.06538	30.1
206.08122	40.6
206.10062	2.0
212.10712	4.1
213.12376	3.9
215.10728	2.2
215.14662	2.3
227.10594	2.5
240.10262	10.0
256.16574	6.2
268.09763	7.8
272.12869	3.1
285.12067	2.6
296.09177	2.6
300.12289	48.1
313.11685	3.3
313.14978	2.0
323.08997	3.9
327.13428	2.8
328.11716	9.9
331.12869	6.5
345.14432	55.4
346.14728	2.0
355.23322	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03939	1.9
55.01867	2.0
55.05507	2.8
57.03432	8.7
57.37483	1.0
59.05009	1.4
59.80322	1.0
61.02922	5.1
66.07452	1.3
67.05501	2.3
69.03429	21.6
69.07062	2.1
70.06587	4.2
71.01369	2.4
71.04987	6.1
71.07394	2.6
73.02921	3.2
75.04485	3.6
75.06685	1.1
79.05482	3.6
81.03425	6.4
81.07056	3.0
84.04531	1.5
85.02901	5.4
85.06538	1.5
86.06049	2.1
87.04440	1.5
91.05474	4.9
93.07043	3.9
95.04974	3.3
95.08617	1.7
97.02901	3.2
97.06541	1.2
99.04443	7.6
105.07029	1.9
107.04955	2.1
107.08582	2.9
108.08128	1.4
109.02863	1.7
109.06532	2.9
116.07109	1.9
116.10758	1.4
117.05444	1.5
119.08597	2.4
120.08097	2.7
121.06534	1.8
121.10168	1.5
122.06007	1.4
123.08097	1.7
124.07578	8.2
125.07927	5.4
127.03943	2.8
130.06549	2.3
131.08559	1.2
132.95836	1.6
136.07526	1.4
137.05963	4.3
138.09132	6.0
139.05132	1.3
139.09496	4.0
141.84547	1.2
145.06509	1.3
145.07617	3.9
150.12785	2.3
150.96863	1.4
151.13152	2.3
158.97447	2.4
162.96907	2.1
167.63638	1.4
169.07616	1.2
170.07127	3.0
172.08691	39.0
174.10251	1.3
178.12302	2.6
179.10542	1.7
179.12656	2.2
186.96771	1.4
190.09691	3.0
197.11700	1.3
197.13530	2.2
198.06578	8.2
200.08167	4.9
214.14375	18.5
215.14713	30.2
216.07661	23.0
216.12302	3.3
234.99028	4.8
243.08775	86.5
244.09212	1.5
267.07538	1.7
269.09280	1.6
270.23917	1.2
285.08676	2.0
303.09830	1.7
309.06436	2.4
315.09686	1.5
317.11444	2.0
359.13409	4.9
359.26187	2.5
377.14551	100.0
377.19406	3.7
378.15173	4.9
386.49472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86199	0.2
56.15932	0.2
57.07075	45.9
58.07416	0.3
63.46876	0.3
69.42029	2.7
80.67348	0.3
81.86435	0.3
84.08147	0.3
89.10494	0.3
93.06956	0.3
108.04499	0.5
124.08714	0.7
125.07109	6.0
126.05505	4.8
134.07158	0.4
135.05536	0.5
136.04008	0.3
191.11804	1.3
192.10132	0.3
208.14468	2.2
209.12854	11.7
209.14804	0.6
210.11302	0.8
210.13220	0.5
218.12880	4.7
219.11308	2.6
234.32822	0.3
260.15247	1.2
267.06516	0.3
268.06656	0.3
274.19199	0.5
274.77090	0.3
275.17508	8.7
275.20544	0.5
292.20181	8.5
293.18512	7.5
294.08414	0.3
302.18625	17.2
303.18976	0.5
320.09976	0.5
343.22589	0.3
358.24911	1.2
376.25922	100.0
377.17459	0.4
377.26172	5.6
378.34631	0.3
394.27002	6.9
395.26730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09737	35.3
85.02885	8.1
88.36002	6.4
98.97579	11.4
127.03880	9.3
196.91701	7.2
333.09244	8.1
377.08282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77923	4.7
60.30595	4.6
62.27813	5.4
69.03451	5.5
70.43313	9.5
70.43709	11.5
76.92247	4.6
85.02937	5.4
119.01884	7.8
155.01903	5.5
173.03090	5.1
182.23531	5.1
210.75937	4.6
213.02423	12.3
215.05109	13.1
225.02597	10.6
228.36171	5.0
275.02435	11.8
358.63602	5.7
377.08517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	19.3
55.05510	66.8
56.96555	13.5
57.03423	22.1
67.05494	100.0
69.03408	20.1
69.07061	48.2
70.06589	9.3
70.24273	36.1
71.01353	10.8
71.04975	34.7
73.02903	13.1
79.05499	48.1
81.03398	33.3
81.07047	72.6
83.04975	28.2
83.08611	35.7
87.80015	8.5
91.05475	42.5
93.07033	56.4
95.04958	21.9
95.08602	80.2
97.02879	10.9
97.06504	38.7
97.10149	39.1
105.07002	29.4
107.04948	16.7
107.08582	29.6
109.02879	16.0
109.06493	29.8
109.10153	65.6
111.04410	16.2
111.08105	20.7
115.07560	36.7
117.07051	11.6
119.08565	28.9
121.06490	16.6
121.10118	15.0
123.08042	25.0
125.09623	59.5
129.06990	10.5
131.08516	13.8
133.06471	10.9
133.10124	18.2
133.87143	9.7
135.08000	20.5
145.10170	9.3
153.09090	18.8
157.09978	11.2
161.09579	13.8
163.07507	12.1
173.11736	42.6
179.06979	8.2
181.04909	10.0
189.11171	20.3
189.12770	9.8
203.95856	9.1
209.11685	9.5
213.11150	28.2
227.12747	15.9
263.12854	14.0
287.16309	19.2
305.17438	17.7
376.25302	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.8
55.05496	22.9
57.03427	5.1
67.05498	15.2
69.03407	5.8
69.07056	9.4
70.55531	9.1
70.55919	11.2
71.05015	6.1
77.06665	5.1
79.05482	24.6
81.03445	8.3
81.07042	15.6
83.08602	12.9
91.05463	17.3
92.00108	5.4
93.07034	23.3
95.04955	5.3
95.08587	17.9
97.10168	26.5
97.51775	5.1
105.07036	12.5
107.08572	17.4
109.02908	6.3
109.06474	8.2
109.10153	8.1
111.08070	21.0
117.06994	9.4
121.10175	6.5
123.08051	7.3
125.09626	17.1
127.07493	6.4
131.08597	6.1
133.10147	6.7
135.08058	19.8
139.07544	7.5
145.10017	8.7
149.09558	5.9
151.07590	8.8
153.09068	8.5
163.07509	25.0
163.40494	5.3
164.07819	10.0
167.07008	5.2
189.11281	25.9
227.10594	10.8
227.12758	100.0
250.10364	5.1
259.16916	8.8
287.16360	29.4
305.17480	44.9
323.18506	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01844	0.8
56.96548	2.6
57.02820	0.7
69.03413	2.7
70.89305	1.1
70.89640	1.4
72.08142	1.4
81.03422	3.0
85.02899	5.0
86.09705	1.5
87.00829	1.5
89.03903	4.7
90.04238	0.9
90.61454	0.7
91.05478	0.7
97.02864	1.7
97.35790	0.6
99.04416	0.8
105.01839	1.1
107.04948	1.1
109.02865	2.0
115.77803	0.6
117.03328	3.2
127.03910	100.0
128.04240	0.8
135.04408	5.3
136.04758	1.9
143.00163	1.4
145.02901	3.5
145.04901	1.1
146.03212	0.9
159.02881	1.5
161.01221	1.8
163.03893	22.6
164.04236	8.1
181.93733	0.6
185.01141	0.7
189.00731	1.4
194.82550	0.7
231.01761	0.8
237.00711	0.6
249.02664	0.7
255.01752	2.6
273.02829	3.0
302.27170	0.6
315.13535	0.7
375.12286	3.2
375.16531	0.9
375.24902	0.9
388.19992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03951	7.7
55.01868	7.5
55.05505	24.7
57.03434	10.2
57.07064	7.5
58.60831	1.8
59.04990	5.0
61.02932	16.2
67.05499	16.7
69.03426	42.6
69.07063	53.7
69.07415	4.1
71.04983	11.4
73.02908	5.8
76.84715	2.6
79.05496	12.0
81.03421	17.3
81.07053	41.8
82.07378	2.6
83.04974	12.0
83.08627	13.2
85.02901	99.9
85.06539	31.7
87.04465	7.3
91.03962	4.8
91.05474	4.7
93.07037	23.4
95.04973	3.0
95.08603	63.9
97.02878	29.3
97.06535	5.1
97.10156	16.9
98.20706	4.1
99.04452	6.5
99.08090	28.8
101.05989	3.8
105.07038	6.8
107.08583	38.3
109.02871	16.6
109.06500	3.6
109.10146	21.7
111.08064	3.3
111.11716	9.6
113.09636	9.0
119.08533	4.9
121.10139	41.2
123.08055	2.8
123.11700	14.9
125.09646	9.3
127.03910	27.7
129.05455	2.3
131.08580	2.8
132.46266	1.8
133.10095	3.8
135.11702	21.7
137.13246	26.5
139.11179	12.8
145.04938	11.0
149.13249	9.1
151.14815	6.2
152.15245	2.2
153.12740	11.9
165.09003	2.3
177.16379	100.0
178.16754	2.9
195.17438	44.6
202.84796	2.5
213.18463	40.6
229.15262	2.7
308.04935	2.3
311.09247	4.3
385.12753	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.5
67.05491	44.0
69.07053	35.8
71.05002	14.4
71.19902	23.2
75.30297	9.3
77.00901	10.4
79.05473	22.7
79.29177	9.8
81.07042	40.3
82.81778	8.9
83.08620	10.7
91.05482	29.9
93.07046	18.7
95.01956	9.2
95.04955	14.9
95.08603	25.5
101.05997	21.3
105.07012	32.3
107.08585	26.0
109.10178	16.5
109.76408	9.0
117.06991	13.0
119.08605	20.8
119.35315	8.3
131.08574	11.7
132.94801	9.0
133.10165	11.5
135.04524	10.5
135.07968	12.5
147.11652	11.0
180.64348	9.5
185.06619	26.3
243.14330	51.5
261.15433	26.5
306.09012	12.4
333.17459	12.4
351.19586	100.0
352.20175	16.7
369.19437	12.3
374.22095	13.0
374.26663	20.2
374.36484	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.7
57.07079	6.2
67.05492	26.2
69.07053	18.1
70.09234	32.4
71.04980	15.1
77.00916	9.6
79.05494	12.4
81.07056	19.6
83.08643	10.4
91.05476	15.0
93.07052	17.9
95.08609	18.9
97.06529	8.0
97.10175	7.3
98.21532	7.5
105.07012	11.3
107.08596	18.6
109.10146	16.9
119.08576	7.4
121.10122	9.4
125.09586	8.6
131.07492	6.4
133.10155	9.8
147.11624	5.9
156.41788	7.0
161.63623	5.5
173.11746	19.3
177.12679	14.4
187.13278	13.4
203.12762	6.9
241.09221	20.0
242.09973	13.0
255.25383	8.6
260.11221	7.3
282.89178	6.5
315.18094	12.0
333.19064	46.9
351.20148	100.0
352.20422	13.2
374.21744	14.2
374.32242	11.5
374.36560	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
57.03411	0.3
65.03884	0.3
67.05484	0.4
69.03380	0.9
69.07026	0.6
69.46945	2.1
70.06543	1.0
71.04945	0.3
79.05460	0.6
81.03367	0.8
81.07014	0.5
84.04491	0.4
84.08089	0.4
85.02900	1.4
85.06503	0.3
86.09711	1.7
87.00792	0.7
91.05479	3.9
93.07025	0.6
95.08555	0.5
97.02836	1.0
98.98462	2.9
105.01834	0.5
105.06985	0.5
107.04881	0.3
109.02864	0.4
109.34119	0.3
118.05835	0.4
118.06541	4.5
121.10072	0.3
124.99112	0.5
124.99996	8.0
127.03860	1.2
132.08061	1.4
133.08830	1.0
134.09569	0.4
134.79164	0.3
143.24879	0.3
144.08073	8.9
145.08870	0.4
146.09613	0.9
158.09621	4.0
159.10373	1.2
160.11154	0.6
162.09117	3.0
165.05486	0.5
172.11234	2.7
176.10725	2.3
176.14337	18.0
177.11400	0.6
177.14607	0.3
190.12212	1.7
202.15895	47.0
203.16223	0.7
212.12759	0.3
220.16946	100.0
221.17285	2.0
243.13434	0.4
251.54990	0.3
254.09988	0.3
276.26947	0.4
278.24808	0.5
296.25790	0.4
300.13562	9.9
301.14117	0.3
314.12268	0.4
338.26984	0.4
356.16342	0.6
356.28003	0.8
360.42880	0.3
374.17377	11.3
374.21912	0.7
374.28973	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01851	3.5
56.96563	34.8
57.03436	6.4
61.02912	8.2
67.05485	2.9
69.03427	28.5
69.07040	2.5
70.06583	9.3
71.57133	5.9
72.08138	6.9
73.02908	5.5
79.05495	7.3
81.03430	8.4
83.06098	5.0
84.04508	6.5
84.08132	30.2
84.96021	5.8
85.02909	38.1
86.09698	17.4
87.04452	4.0
89.03912	19.3
91.05397	3.3
93.07017	4.5
93.21471	2.5
95.04972	4.7
96.04438	2.7
97.02872	24.6
98.97582	19.1
99.04465	3.2
106.06496	3.0
107.04968	18.2
107.08648	3.6
109.02883	10.5
115.03714	2.6
116.98608	25.5
117.03383	17.5
119.04928	3.3
120.08089	5.2
121.06519	5.1
122.08409	5.7
127.02961	4.5
127.03916	78.6
128.04555	3.0
128.98602	5.8
129.06570	2.7
129.10226	12.3
130.06490	3.5
133.05193	6.9
133.06111	3.6
134.06026	4.8
134.99692	15.1
135.04428	24.7
135.65668	2.7
136.07573	7.6
137.05948	6.1
140.64832	3.2
143.00217	6.8
145.02763	15.5
145.04930	5.6
146.99651	9.2
147.04404	7.8
147.06734	2.8
148.07561	59.6
149.01237	4.5
149.06020	5.2
151.03888	5.2
152.07027	15.5
158.99742	7.6
159.03156	2.7
161.01199	17.1
161.02870	5.7
163.02550	6.3
163.03902	100.0
164.04172	7.9
164.07072	37.6
165.05548	2.8
166.08644	15.6
172.95239	10.7
176.05548	3.7
176.07062	68.9
177.00731	17.2
179.02248	4.9
185.01274	2.9
189.00716	7.7
190.96255	7.7
194.08197	80.7
195.08574	3.6
201.00609	3.8
203.07480	14.6
211.02861	2.7
212.09326	45.0
219.01799	7.1
220.05980	3.7
221.05193	5.4
223.58926	3.3
227.02080	4.5
231.01787	6.8
237.00732	5.2
237.02840	17.9
249.02817	3.7
255.01758	9.0
261.02835	3.7
273.02826	8.5
275.09604	4.1
284.10205	4.9
293.10654	11.1
293.60812	3.8
300.96600	3.4
323.04648	3.3
356.13431	8.2
374.14389	77.3
374.24286	4.6
375.03537	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01875	3.2
57.03434	2.1
61.02932	2.2
65.03941	2.3
69.03419	16.0
69.12781	1.6
70.13258	8.2
71.04975	2.7
73.02919	2.8
81.03412	13.4
85.02898	47.9
86.09708	2.5
87.00835	15.3
91.05476	100.0
92.05829	1.9
97.02889	17.0
99.04454	6.3
105.01856	26.3
108.04424	1.5
109.02876	11.4
127.03897	27.1
133.06509	2.1
145.04971	13.8
159.02881	5.9
175.29268	1.7
189.03973	3.7
199.07617	1.8
213.03943	1.8
231.05011	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78291	3.2
67.05491	11.8
68.56205	3.3
69.03426	25.7
69.07044	13.1
70.04563	14.0
70.06586	20.2
72.08165	4.1
79.05482	12.2
81.03400	10.3
81.07052	8.9
82.06554	5.5
83.04949	4.6
84.04503	18.2
84.08171	4.0
85.02896	25.6
86.09705	72.0
87.00809	13.3
87.10014	6.6
91.05473	100.0
93.07029	7.5
95.08591	8.0
96.08124	7.3
97.02895	41.0
99.04449	11.4
102.05516	5.6
105.01843	7.3
105.07043	5.3
107.08577	5.1
109.02853	8.4
109.10106	4.0
119.08501	3.6
121.10101	7.0
124.07576	3.6
127.03918	34.3
132.10184	16.9
135.11725	4.4
145.04968	26.2
145.50902	4.0
167.07019	4.6
184.09996	3.5
197.12787	7.0
199.17999	7.7
212.16425	4.0
215.13910	15.6
222.18599	6.9
222.83566	4.0
225.08592	3.6
225.44130	3.7
231.04965	20.8
249.05844	4.9
269.19559	4.9
282.20605	16.9
317.17160	3.8
320.25980	6.8
356.24127	7.8
356.27975	8.9
374.18063	7.0
374.25061	31.7
374.29071	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09249	8.1
67.05496	16.0
69.07060	13.2
71.17834	18.8
79.26171	7.3
81.07062	27.2
82.88272	7.7
85.06564	10.1
93.07038	12.4
95.08602	34.0
105.07017	9.4
107.08595	11.0
109.10157	56.5
119.08582	13.9
121.10120	18.1
135.11705	26.2
137.09642	20.2
150.93875	8.5
165.09058	11.8
169.42186	9.1
175.70531	8.0
211.08638	17.2
239.11749	14.2
267.11349	19.1
313.11679	40.5
373.13803	100.0
377.99493	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
52.87365	11.9
54.58226	13.5
67.05489	29.2
71.38000	30.4
76.93065	15.2
79.05495	17.8
81.07050	45.9
91.05452	14.6
93.07042	39.3
95.08599	57.8
105.07035	21.8
107.08574	30.1
109.10152	94.8
111.08041	13.5
118.30766	16.4
119.08583	46.1
133.10107	24.8
135.11702	100.0
137.09654	16.9
149.13263	16.0
157.96863	12.9
175.14798	50.7
193.15895	58.0
211.16917	55.6
347.45215	14.7
388.39731	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.6
59.04999	17.8
67.05506	25.8
68.07903	3.9
69.03448	10.5
69.07075	10.1
71.05013	6.1
71.16962	9.0
79.05495	6.6
81.03416	12.2
81.07048	23.6
83.04978	7.2
85.02904	16.0
91.05483	10.1
93.07050	15.4
95.04977	5.0
95.08614	40.6
97.02918	5.4
105.07009	9.6
107.04990	8.1
107.08598	19.0
109.02946	6.4
109.06500	12.4
109.10152	86.2
119.08569	42.2
121.10149	20.1
123.08047	9.1
123.11683	11.8
133.10123	17.3
135.08089	6.8
135.11703	79.9
137.09645	18.4
149.13266	8.9
151.11259	6.4
151.14845	5.5
153.12688	5.4
154.64619	4.6
158.65965	4.2
161.02339	100.0
161.03581	8.4
161.13335	4.3
162.65428	4.4
163.03880	4.3
165.01826	5.7
167.03389	7.4
175.14859	38.5
177.05528	10.2
191.07089	7.8
193.15897	50.2
201.05457	5.8
211.07277	6.0
211.16908	34.3
237.07613	40.2
313.11697	5.4
355.12015	5.1
373.10144	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71937	0.3
58.06592	0.4
61.26065	0.3
62.34756	0.3
63.51060	0.3
67.05507	0.6
69.03429	0.6
69.07063	2.6
69.93120	1.1
69.93530	0.8
70.06592	0.7
72.08157	0.8
72.34098	0.3
81.07065	0.5
83.06097	0.8
84.04504	1.5
84.08141	6.0
85.02909	0.5
86.09706	2.1
100.11253	23.2
115.05399	0.3
118.08655	0.6
127.03849	0.3
129.10245	4.9
153.12759	0.3
155.02086	0.3
157.06212	0.4
157.07477	0.4
160.69839	0.3
163.03986	0.5
183.11362	0.6
193.12071	0.8
203.05229	4.1
207.51413	0.4
211.13026	0.9
228.13460	1.9
228.17018	0.5
229.11844	1.2
242.18607	0.5
246.14462	1.4
253.12839	0.7
256.16583	1.4
287.16772	0.3
373.18317	100.0
374.18588	1.9
379.75287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08711	1.4
56.96566	2.4
57.24782	1.3
69.03428	2.6
69.86343	8.5
73.12781	1.3
78.60665	1.4
82.96814	1.5
84.04498	1.5
84.08118	4.2
85.02895	4.4
86.09704	4.1
91.05810	7.7
93.05502	1.6
97.02920	2.0
107.04978	1.8
123.60019	1.4
137.05986	15.2
163.03912	3.1
190.93416	1.5
203.05246	6.9
225.06624	1.6
246.43010	1.5
329.11771	1.7
373.10721	4.0
373.14734	7.3
373.18378	100.0
374.18524	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	3.0
69.03432	1.2
69.26151	1.0
70.06601	2.3
71.03728	1.1
71.04076	1.7
81.07040	0.9
86.09701	2.4
89.03912	2.8
91.05822	6.0
93.05455	1.2
98.97574	1.0
103.05451	1.5
107.04956	12.6
108.05302	0.9
112.45192	0.9
116.07080	1.6
116.98625	1.2
117.03390	2.1
119.01918	1.1
123.04434	1.3
135.04385	4.3
135.08072	3.5
145.02831	2.2
161.01266	1.8
163.03909	14.7
163.07539	9.5
164.04219	2.1
167.07051	6.5
181.08588	0.9
195.10193	3.5
255.01653	0.8
287.00668	1.4
287.11050	1.4
329.12067	6.5
357.06619	1.5
373.11203	12.7
373.18344	100.0
374.18726	1.9
393.80127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01870	2.6
55.05512	8.6
57.03427	1.7
57.07069	1.2
59.04704	1.8
59.04997	27.3
59.92741	1.2
66.91591	1.1
67.05505	7.0
67.18209	1.0
69.03421	3.7
69.07047	4.8
70.06612	1.6
71.58544	2.1
79.05491	6.3
79.83660	1.3
81.03415	4.0
81.07056	11.1
83.04948	3.1
83.08611	3.2
85.02894	2.8
85.06559	1.5
91.05441	6.8
93.07049	6.7
95.04976	4.5
95.08595	5.6
97.02875	2.4
97.06526	3.0
97.10184	1.3
99.05531	1.2
102.31744	1.2
105.07024	5.4
107.04947	100.0
107.08588	4.8
109.02882	3.2
109.06508	1.8
109.10139	4.0
109.91720	1.1
111.08044	1.6
115.05429	3.3
117.07008	5.5
118.22256	1.1
119.08565	5.0
121.06536	2.0
121.10146	3.0
123.04457	4.9
123.11713	1.4
127.03875	2.2
131.04910	3.0
131.08569	2.5
133.06377	1.3
133.10185	2.9
135.04384	1.6
135.08046	2.0
135.11742	1.7
136.02988	1.3
136.07599	2.9
137.05984	5.0
137.09593	1.2
137.13223	1.2
141.06967	1.5
143.04903	1.3
143.08522	2.3
145.06503	7.1
145.10075	1.5
147.04419	2.6
147.11682	5.0
149.06024	1.8
149.13242	1.5
151.04028	1.5
151.07599	1.3
153.06958	1.6
155.04887	1.8
157.06483	1.2
161.05975	5.1
163.07483	1.6
165.06949	1.4
165.12781	2.0
166.08644	2.2
167.07014	3.6
169.06502	1.6
173.05978	52.6
175.07452	2.1
176.06987	1.3
181.06557	2.8
184.70341	1.2
185.06003	2.9
187.07582	4.2
188.03433	9.1
189.05438	2.7
191.07016	58.8
192.07431	1.6
197.06018	2.7
199.07469	6.5
201.05438	23.7
201.09117	1.2
203.07074	2.0
204.06630	2.7
206.04486	2.4
211.07487	2.5
213.05400	2.2
213.09103	2.8
215.06865	1.9
217.04927	11.8
220.06053	1.9
227.07062	1.6
229.04982	7.5
251.25713	2.0
267.13730	2.9
279.10443	2.8
283.13239	1.8
285.14868	2.3
297.11218	19.6
311.09637	1.3
311.12695	7.9
313.11478	2.6
313.14468	15.8
313.25671	2.2
327.15860	1.9
329.13992	9.1
337.14310	1.8
341.11157	3.2
355.15433	11.7
373.13229	3.6
373.17371	2.0
373.27512	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29151	2.2
53.03923	2.5
53.22865	2.5
56.96565	3.3
57.03406	2.8
61.57400	2.8
69.03436	3.7
70.71124	5.9
73.04726	2.9
79.05477	12.1
81.03423	5.4
81.43108	2.7
83.04964	3.7
84.08173	3.6
86.09701	4.3
91.05832	13.6
93.05498	3.3
95.04990	4.8
97.02910	2.7
103.05473	19.2
105.07021	7.4
107.04952	96.7
115.05480	4.1
120.05711	4.4
123.04448	5.1
124.05246	2.5
131.04959	9.0
133.06505	3.2
134.99602	4.0
135.08054	32.4
137.05984	8.6
145.07652	4.2
146.99783	2.8
163.03922	6.0
163.07549	100.0
164.07013	2.9
165.05542	2.7
167.07033	62.6
182.57730	2.6
195.10173	46.5
195.11832	3.1
198.65117	3.6
203.05357	11.5
213.11232	6.7
228.06529	3.0
274.64139	3.0
285.01065	3.8
287.00775	4.3
329.12033	9.5
357.06906	4.4
373.10901	14.2
373.14685	13.9
373.18478	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Phellodensin C
Peak:m/z	Relative Intensity
53.03939	1.8
55.01857	1.2
55.05512	4.6
57.03423	1.3
57.07076	0.7
59.04992	6.0
61.72121	0.6
65.03929	0.7
67.05496	11.2
69.03081	0.8
69.03425	10.7
69.07068	5.5
70.06574	1.1
70.93934	1.1
71.04991	2.0
72.08094	0.6
73.02921	1.0
77.03913	0.7
79.05487	6.9
81.03414	16.8
81.07050	27.3
82.07421	0.6
83.04971	2.2
83.08611	2.2
84.08142	0.6
85.02899	7.5
85.06529	1.6
91.05472	8.9
93.07050	7.5
93.07989	0.6
95.04958	1.9
95.08597	7.1
96.08089	0.5
97.02887	3.5
97.06533	2.9
99.04459	3.7
99.08082	1.1
105.03394	3.4
105.07025	14.4
107.04953	1.1
107.08600	5.3
107.39437	0.5
109.02866	6.5
109.06507	2.0
109.10126	1.8
111.08056	1.0
117.06999	0.9
119.08568	11.8
120.92374	0.6
121.06557	0.6
121.10143	10.6
121.97186	0.6
123.04347	0.6
123.08041	1.8
123.11691	10.9
125.09641	0.8
127.03922	5.9
127.07552	1.1
129.07008	1.0
131.04880	0.6
131.08562	1.2
133.02863	2.4
133.10086	1.4
137.05946	1.3
137.09575	1.3
137.13165	1.0
141.09079	1.0
145.06468	0.9
145.10147	1.2
147.04420	0.9
147.11671	28.4
149.05919	0.6
151.03906	1.3
157.10072	0.9
159.11617	0.7
161.02330	100.0
162.02686	2.4
163.03882	2.8
163.07524	1.2
165.12756	14.8
167.07115	0.7
173.05984	0.9
175.11223	0.8
183.13814	2.4
191.06940	0.9
193.12149	1.8
197.05971	0.7
229.14305	3.5
237.07553	1.5
248.29648	0.6
251.25587	2.8
253.23512	2.0
279.06509	2.8
279.09109	0.7
297.07526	6.5
310.39810	0.6
313.11398	0.7
313.25684	4.5
355.15860	0.8
373.13455	1.7
373.27798	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.96297	1.7
56.96565	26.9
65.85494	1.3
67.05492	1.4
71.19937	2.2
71.95248	3.2
79.05489	10.3
90.42412	1.3
91.42821	1.4
102.03855	1.3
107.08600	1.7
119.08621	1.4
128.98573	3.3
134.99588	1.4
141.02177	1.8
146.99611	6.1
165.00760	2.4
171.03270	2.1
173.04822	2.6
189.04359	3.3
191.05943	3.1
199.06384	2.4
201.08034	1.3
203.05963	1.9
217.07497	2.1
218.27339	1.4
243.08989	6.7
261.10086	4.5
277.11084	4.0
295.12274	2.1
313.14539	2.1
331.15744	31.8
349.16852	100.0
355.23007	1.5
367.17987	4.1
372.18362	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01863	0.6
55.05514	7.9
56.05021	2.6
57.03423	0.6
57.07062	0.7
58.06599	3.1
59.11491	0.6
67.05500	18.0
67.32524	0.6
68.04961	0.7
69.03394	1.2
69.07058	6.9
69.37954	4.0
69.38378	2.0
70.06592	13.3
71.01344	0.6
71.04958	1.1
72.08144	4.2
74.06059	1.3
79.05482	8.9
81.03397	1.9
81.07050	21.6
82.06577	1.1
83.04959	1.1
83.08614	3.8
84.08139	10.4
85.02885	1.0
85.06519	1.2
91.05450	3.6
93.07039	7.8
94.88562	0.6
95.04971	1.3
95.08602	15.6
96.08134	2.4
97.02901	4.0
97.06508	1.8
97.10154	1.9
98.09689	7.8
105.07014	3.2
107.04976	1.2
107.08599	4.0
108.08125	1.0
109.06496	1.5
109.10155	6.7
110.09716	1.1
115.05422	1.2
119.08560	2.6
121.06489	0.7
121.10143	3.9
123.04419	1.5
123.11684	1.0
124.04755	0.9
125.09575	0.7
131.08546	0.9
133.10117	1.4
135.11656	1.6
137.05962	2.1
137.09639	1.3
141.13853	0.8
145.06454	0.9
145.10184	0.8
147.11702	1.2
149.05936	1.0
149.13167	0.7
151.12401	0.6
156.13820	3.5
161.05853	0.8
163.03912	3.6
165.06949	0.9
167.06993	1.5
177.05531	0.7
181.04948	1.0
182.19090	0.8
183.02907	0.6
189.09045	0.8
210.09174	0.7
222.22162	1.8
250.25293	50.5
251.25710	3.2
252.23218	36.0
253.23572	1.2
276.23282	10.3
284.22211	1.5
294.24228	6.1
310.27390	1.7
312.25302	81.1
313.25681	2.8
354.14197	0.7
372.27426	100.0
373.27771	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87549	0.9
52.06518	0.9
55.05507	1.3
56.96562	31.1
57.97128	1.0
66.83234	0.8
67.05468	1.7
71.58332	1.1
71.95264	2.3
74.97604	1.8
79.05476	10.1
81.07039	2.3
84.96034	1.5
92.92178	0.9
95.08562	1.5
105.07023	2.0
107.08608	1.9
107.98589	1.1
128.98615	2.8
131.26051	0.9
141.02199	1.9
145.94194	1.2
146.99635	5.2
147.03323	1.5
155.03812	1.6
161.01141	1.5
163.04338	0.9
165.00797	1.0
169.05431	1.5
171.03270	1.3
173.04832	3.2
185.04915	1.4
187.02782	1.8
189.04350	2.7
191.05968	2.3
199.06474	3.0
203.05894	3.0
213.07913	1.1
215.09570	1.6
217.07458	3.6
221.06870	1.2
229.07449	1.3
243.09001	7.5
247.08403	1.2
259.10040	1.1
261.10104	5.6
269.10516	1.4
277.10941	6.0
291.12582	1.9
295.12238	4.0
331.12738	0.5
331.15753	33.8
349.16837	100.0
350.17160	3.8
367.17874	5.8
372.18317	14.5
372.26154	1.6
386.03055	1.1
387.83157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
56.96558	10.4
57.02418	1.2
57.07054	1.7
62.76193	1.1
66.30522	1.3
67.05492	4.1
69.07056	1.5
69.24809	9.5
69.25228	3.7
71.04977	2.0
73.93576	0.9
79.05470	1.7
79.17588	1.2
81.07041	4.9
91.05444	1.3
93.07040	2.3
95.04978	1.6
95.08591	3.2
97.10201	1.3
99.08057	1.5
105.07110	1.1
107.08607	1.7
109.10178	1.4
126.39363	1.1
128.98526	1.2
129.99391	1.0
133.10127	1.7
135.11595	1.3
145.10115	1.8
146.99631	2.4
165.00699	1.7
185.04869	2.5
189.04340	1.2
199.06418	3.9
203.05881	4.4
205.07393	1.3
217.07474	7.2
223.02908	1.7
223.08350	1.5
237.04327	2.4
239.09517	1.6
267.09109	1.2
273.18332	2.7
280.09790	1.9
285.10098	1.5
298.10797	2.3
305.21011	2.8
307.15826	1.2
331.15674	16.4
349.16827	100.0
350.17227	2.8
367.17804	3.5
372.18439	12.0
374.03604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93386	2.7
55.05497	3.8
61.39198	2.6
69.03442	16.6
69.07046	7.2
70.26264	12.3
71.04993	3.4
76.95498	2.9
79.05495	5.3
81.03414	5.9
81.07037	7.3
83.04971	7.2
84.50316	2.9
85.02908	21.2
90.84063	2.6
91.05434	3.0
93.07046	4.9
95.05015	4.1
95.08600	8.5
95.65273	2.8
97.02885	4.2
105.07021	6.4
107.04926	3.5
107.08549	14.9
109.06520	8.3
109.10143	6.5
111.08099	3.8
119.08595	5.5
121.06470	4.0
121.10109	15.3
123.08057	5.0
123.11629	4.3
127.03896	5.7
133.10130	5.3
135.08035	3.4
137.05943	3.4
137.09601	16.8
149.09636	10.0
149.13242	8.7
149.64096	3.2
151.11174	24.3
163.14870	5.6
165.12775	30.8
167.07001	15.0
173.13272	7.7
175.07520	4.7
191.14328	22.6
191.39153	3.3
191.84479	3.0
209.15373	100.0
210.15770	3.8
309.11075	3.8
373.48969	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	0.9
56.96523	0.5
57.03426	1.6
61.02913	1.9
61.81227	0.5
67.05482	0.7
69.03426	6.9
70.06579	0.9
70.60731	0.9
70.61064	1.1
71.04984	0.7
72.04499	1.3
73.02887	1.0
79.05498	0.7
81.03407	2.3
85.02896	14.9
87.04454	1.3
91.03953	1.3
91.05772	3.8
92.05727	0.9
97.02885	5.2
98.97565	0.6
99.04439	1.2
103.05467	3.3
105.07034	4.6
106.06539	1.9
107.04936	2.0
109.02877	1.5
110.06048	0.5
117.05757	1.3
117.07013	2.1
118.06528	2.0
118.64432	0.5
119.07333	3.3
120.08092	4.6
123.04416	0.9
124.07596	3.1
127.03884	2.5
129.07028	3.1
130.06511	0.7
131.04886	1.8
131.07303	1.5
144.08057	1.0
145.04973	1.6
146.09627	6.8
150.09183	0.5
160.02345	0.5
163.03877	2.4
164.10704	100.0
165.11092	2.7
174.09047	0.6
192.10185	2.4
210.11241	73.1
211.11530	1.0
285.01025	0.7
286.01291	0.7
336.14444	0.7
356.07019	1.1
372.12561	1.2
372.16653	1.4
390.85123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
50.31131	12.5
55.05511	11.8
67.05511	15.5
69.03425	15.5
70.05738	46.9
71.02938	10.3
79.05500	18.9
81.07087	13.4
85.02909	23.9
93.07031	12.6
95.04977	12.0
95.08601	20.0
97.02903	13.6
98.20808	13.5
107.04994	14.9
107.08568	21.0
109.06537	22.8
111.08098	17.5
119.08552	12.0
121.06518	11.5
121.10141	21.2
133.10158	55.2
135.08055	13.2
137.09605	38.5
144.87206	10.3
149.09689	15.3
149.13226	14.5
151.11162	17.8
164.43565	11.5
165.12755	49.1
167.07022	45.2
173.13167	12.3
177.32481	11.4
180.07585	11.2
191.07050	16.0
191.14349	35.0
192.07909	17.4
209.15387	100.0
263.07239	13.2
270.94641	12.2
309.11389	13.5
351.28357	12.9
358.28012	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	9.9
55.05504	41.9
67.05486	21.0
68.88210	10.3
69.03415	26.0
69.07050	25.1
69.39207	100.0
79.05486	32.5
80.14814	11.1
81.03398	11.1
81.07056	46.2
83.04993	13.0
83.08607	17.5
85.02914	14.1
91.05480	37.2
93.07053	27.6
95.04945	17.0
95.08614	31.7
97.02897	15.2
97.10204	12.9
99.04446	15.9
100.11253	47.6
103.75477	9.8
105.07041	33.7
107.04966	22.4
107.08591	42.5
109.06571	12.3
109.10155	26.1
119.04977	28.1
119.08576	20.7
121.06478	15.1
121.10130	26.3
123.04426	15.9
125.09605	12.8
131.08595	12.6
133.10123	65.4
135.04442	10.7
135.11714	9.9
137.05971	25.0
137.09613	39.5
145.10178	13.8
147.04388	94.4
149.09619	12.8
149.13260	18.5
151.11191	32.0
163.11177	12.5
163.14777	11.0
165.01854	13.0
167.07033	65.4
175.07567	19.5
177.05453	22.8
180.07921	12.1
182.15472	18.6
187.07635	15.1
189.09132	12.0
191.14328	52.2
209.15369	15.2
210.14935	14.9
217.08618	15.6
219.08124	11.7
235.07639	15.7
240.16454	12.0
253.15698	12.7
261.09222	16.3
264.07956	12.3
265.09546	12.1
285.01239	10.4
285.08405	13.1
299.05588	39.4
300.09897	12.6
307.09717	18.0
321.11121	13.9
339.12201	34.6
353.10013	17.4
353.13916	19.4
354.80780	10.6
371.11115	22.3
371.15158	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01845	5.5
55.05504	7.1
61.45943	4.2
67.05494	5.8
69.03409	13.7
69.07070	9.1
70.06580	7.5
70.86630	4.6
71.37971	9.9
78.04722	8.1
79.05481	24.4
81.03416	13.0
81.07044	22.9
83.04960	4.4
85.02911	13.9
85.06538	6.2
91.05444	13.2
93.07034	16.0
95.04960	10.4
95.08601	12.9
103.05476	4.4
105.07014	20.0
106.04187	6.0
107.04932	31.1
107.08604	27.1
109.02837	5.5
109.06493	10.3
109.10152	10.8
115.05411	6.2
117.07019	5.5
119.04916	7.2
119.08573	12.7
121.06538	5.2
121.10130	19.8
123.04414	13.3
123.08046	5.2
124.05184	7.5
124.07575	7.0
127.03902	5.7
128.06239	6.9
129.07014	9.0
131.04918	18.7
131.08598	5.8
132.05713	17.5
133.02876	6.7
133.06494	8.4
133.10094	31.4
135.08008	9.9
135.11682	6.6
137.05960	16.6
137.09604	26.0
146.07613	4.4
147.08109	6.1
149.05972	13.1
149.09616	8.5
149.13309	7.5
151.11211	7.3
153.05499	6.1
156.05670	18.5
160.05190	7.0
163.03860	6.0
163.11186	4.8
163.14799	8.4
165.05548	5.8
167.07042	100.0
173.13289	5.8
175.07501	19.4
177.05537	10.3
178.07762	6.5
179.07062	10.2
180.07834	12.8
181.04918	5.7
187.03859	8.8
187.07539	9.5
189.06921	10.8
190.07758	5.9
191.07074	9.8
191.08611	10.5
191.14270	21.0
192.07831	41.6
203.08563	8.9
206.07222	6.3
207.08090	12.7
208.08815	15.8
209.15309	8.8
217.08572	40.4
218.07281	19.8
219.08044	42.7
221.05965	16.3
221.09743	8.0
225.09183	6.3
233.09561	17.7
235.07426	13.9
236.08276	19.6
237.10419	8.6
246.06561	5.8
247.07571	25.4
249.05476	12.3
249.09113	11.3
251.10674	16.4
261.09280	11.6
262.06168	5.7
263.06985	21.6
263.09943	5.0
264.07718	40.3
265.08936	16.4
266.09274	7.8
268.07449	5.7
268.10947	5.7
278.09760	5.7
279.10172	49.5
280.10849	5.5
281.08017	11.3
292.07239	7.8
293.08710	10.8
295.06058	9.5
296.10385	12.1
296.97949	4.6
299.05594	6.1
307.09674	42.6
308.09964	5.3
309.07559	11.0
309.10965	8.8
311.12704	21.0
317.09216	6.4
325.10370	5.9
339.12302	54.6
356.12466	11.7
371.11053	14.2
371.15637	38.4
372.15469	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03940	5.4
55.05513	27.7
57.03424	4.7
57.07060	17.0
64.07860	4.9
67.05495	11.8
69.03423	23.2
69.07062	34.7
69.81958	25.9
70.06594	4.8
71.01329	5.4
71.04971	6.6
79.05481	16.1
81.03403	17.0
81.07049	100.0
83.04987	23.1
83.08617	68.5
85.02892	27.9
87.04471	5.8
91.05444	8.3
93.07044	29.1
95.04961	40.4
95.08603	13.5
97.02876	12.8
97.06536	10.4
97.10152	4.9
98.21404	5.6
99.04424	9.3
105.07045	11.1
107.08588	37.2
109.02870	9.9
109.06510	38.6
109.10149	34.9
111.08086	17.3
119.08574	10.5
121.06467	5.5
121.10126	32.4
123.08010	6.2
123.11710	20.2
125.09661	6.2
125.13247	14.5
127.03897	20.7
131.08604	6.9
131.67372	3.9
133.10071	9.2
135.08038	29.3
135.11667	8.7
143.08427	4.4
147.08023	5.0
147.11688	6.6
149.13258	53.3
151.11253	6.6
153.09100	21.0
163.14841	15.7
167.07065	4.1
167.14311	60.3
171.10205	4.4
173.13258	11.6
191.14278	31.6
209.15375	40.9
227.16357	7.5
337.35529	4.9
371.16684	33.1
371.20639	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.82961	3.5
55.05502	19.8
57.03417	7.6
57.07068	11.9
59.04986	4.3
67.05495	10.7
69.03432	21.1
69.07064	22.8
69.85254	24.6
71.01304	4.4
79.05496	20.1
81.03410	11.7
81.07049	69.8
83.04968	13.6
83.08620	33.3
84.52934	4.2
85.02905	21.3
85.06524	6.2
93.07054	28.5
95.04955	3.6
95.08599	9.3
97.02891	11.5
97.06525	5.4
98.21431	5.5
102.66261	4.0
105.07032	8.4
107.08560	23.0
109.02884	3.9
109.06520	40.7
109.10125	18.8
111.08085	12.2
117.79901	4.2
121.06444	5.1
121.10135	20.1
123.11704	16.6
124.44242	4.0
125.13267	4.5
127.03918	10.3
129.06940	3.7
131.08612	5.3
133.10112	5.8
137.09563	7.3
143.66347	4.8
149.09615	100.0
149.13275	36.1
150.09950	5.7
153.09047	4.5
163.14832	5.5
165.12665	4.4
167.07050	6.3
167.14304	30.3
171.10191	4.5
181.98654	3.8
191.14331	22.5
209.15370	40.1
228.02495	4.0
241.46988	4.8
261.23624	4.1
371.16571	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.0
57.03423	3.9
57.07065	5.0
59.04976	2.6
61.02931	2.8
67.05481	6.8
69.03426	13.0
69.07070	14.2
71.31739	4.4
79.05485	15.8
81.03403	7.1
81.06583	3.3
81.07051	50.9
83.04980	6.7
83.08622	22.0
85.02901	17.6
85.06535	2.8
91.05452	5.3
93.07030	17.0
95.04967	6.4
95.08588	8.6
97.02878	8.1
97.06518	6.6
99.04459	3.3
105.07014	4.7
107.08611	19.2
109.02882	4.3
109.06513	27.1
109.10150	20.0
111.08064	8.8
119.08562	3.9
121.10135	19.2
123.08065	4.0
123.11729	13.3
125.09615	3.2
125.13246	5.9
127.03950	9.9
129.05466	2.5
131.08586	2.3
133.10129	5.9
135.08028	6.0
135.11684	3.4
135.64128	2.0
137.09566	5.2
145.04927	3.3
147.07947	2.0
149.09608	100.0
149.13258	22.0
150.09953	4.4
151.07582	2.7
151.11156	5.0
153.08955	2.7
160.49913	2.0
163.14867	4.4
165.12746	4.5
167.14307	22.1
173.13242	4.8
191.14265	15.4
209.15340	25.5
210.15613	2.0
243.73451	2.0
263.94955	2.3
371.16318	7.1
371.20694	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	21.3
63.73643	5.6
65.03914	6.2
67.05499	16.0
69.03415	9.3
69.07050	6.5
70.06584	14.4
71.04977	9.1
71.58810	11.2
79.05477	25.4
81.03410	11.3
81.07066	46.4
83.04974	6.9
83.08582	7.0
85.02884	13.5
85.06557	6.3
86.09692	7.7
91.05437	19.4
93.07035	24.0
95.04948	12.5
95.08601	31.4
98.46509	6.6
100.11224	20.8
105.07005	25.9
107.04965	27.7
107.08588	39.5
109.06503	12.7
109.10145	26.0
110.06063	6.6
111.04427	9.5
115.05450	10.9
117.89887	6.1
119.04951	11.3
119.08553	19.6
121.06496	18.5
121.10134	18.5
123.04424	7.7
123.08054	10.7
123.11688	7.7
127.03869	7.1
131.04970	8.0
131.08556	7.5
133.06490	7.6
133.10120	100.0
135.08072	16.7
135.11650	10.2
137.02217	6.7
137.05974	19.8
137.09612	53.5
147.04445	19.5
147.11665	11.4
149.13249	13.1
151.03847	7.0
151.11104	9.9
159.08057	8.4
161.13368	6.3
161.97044	5.6
165.01831	8.6
165.09067	12.9
167.05722	9.0
167.07016	53.4
173.13263	12.7
175.07515	22.7
178.59105	7.5
187.07603	10.8
191.14291	47.6
192.07831	10.9
209.15240	7.7
210.14856	7.3
217.08522	13.2
223.18758	7.6
237.10414	5.9
261.09088	8.2
283.05905	6.6
285.08643	9.9
293.08206	8.0
295.06073	8.0
299.05472	58.4
313.36121	7.0
321.11115	10.7
339.12231	19.7
353.10034	11.6
353.13986	6.9
371.11615	28.0
372.27451	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83522	0.5
53.03940	1.3
54.75896	0.4
55.01866	0.5
55.05486	0.7
56.89641	0.4
60.82300	0.4
67.05491	0.8
68.99795	0.8
69.03419	1.7
69.07069	2.6
69.36452	1.6
69.36872	3.6
77.03913	0.7
79.05486	1.7
81.03415	0.7
81.07040	1.3
83.08611	0.8
91.05454	4.0
93.07044	4.3
95.04980	2.7
95.08632	0.8
97.10152	0.5
98.21512	0.9
103.05488	3.0
105.07014	1.5
107.04973	1.0
107.08578	0.7
109.10156	0.6
117.07005	0.6
119.08587	1.2
121.06506	6.4
123.04454	1.0
128.06181	0.5
129.06987	0.8
131.04913	1.7
133.06447	0.6
137.05989	0.9
147.04427	1.6
149.05977	100.0
150.06288	1.0
151.07553	1.0
161.06010	3.5
163.07503	0.7
165.05582	0.7
167.07042	56.8
168.07376	0.8
173.01134	0.5
175.07550	5.2
177.09122	1.7
181.05054	0.6
185.05971	1.0
189.11487	0.5
191.10684	1.2
193.08624	2.6
205.12267	3.8
217.08601	5.2
217.12230	2.3
227.10706	0.6
297.11252	9.3
315.12283	4.1
353.17438	11.3
371.14880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27970	1.0
53.03941	2.2
55.01862	1.2
55.05511	5.9
56.96561	1.2
57.03431	2.6
57.07063	3.5
59.85115	1.0
60.04510	1.2
65.03931	1.3
67.05510	5.6
69.03424	11.0
69.07079	6.9
69.74338	7.9
70.06588	6.4
71.04990	2.3
73.04752	2.1
79.05505	5.2
81.03417	3.8
81.07056	13.5
83.04984	9.2
83.08612	7.3
84.04494	3.3
84.08152	2.1
85.02915	12.8
85.06516	3.1
86.09683	3.4
89.03916	3.9
91.05832	15.4
93.07040	7.6
95.04968	21.0
95.06052	1.3
95.08606	4.9
97.02907	4.9
98.97562	2.6
99.04450	6.2
105.03363	1.7
105.07001	4.4
105.69569	1.1
107.04969	3.6
107.08595	10.5
109.02872	4.6
109.06516	5.5
109.10172	5.6
111.04420	2.3
111.08067	3.1
116.07022	1.2
116.98606	2.4
117.03368	1.8
119.08582	3.5
121.06512	2.1
121.10146	15.4
122.06030	2.9
123.04449	5.9
123.08123	1.7
123.11696	3.0
125.09604	5.3
127.03914	6.7
129.05492	1.6
130.05011	1.7
130.06511	1.3
131.08537	1.6
133.02866	4.6
133.10141	4.2
134.99701	2.9
135.04398	6.2
135.08047	6.5
135.11700	2.3
136.07494	1.2
136.73225	1.2
137.05940	1.2
139.11191	1.8
143.08617	1.4
145.02823	2.2
145.10121	2.1
147.07918	1.5
147.11633	1.6
149.09624	2.7
149.13242	6.6
150.03134	2.0
150.05478	2.3
150.06609	1.5
151.03899	5.5
151.07639	1.2
151.11143	2.8
153.09122	7.3
158.10809	1.1
161.02321	4.2
161.09659	1.4
163.03900	21.1
163.11195	2.3
163.14796	4.0
167.05708	1.6
167.07047	5.1
167.14316	8.3
168.06461	1.2
170.09708	1.8
173.13249	4.4
176.12065	1.2
177.00713	1.8
177.47842	1.2
179.03384	8.9
181.12244	1.4
185.04828	1.1
191.10579	1.1
191.14294	14.8
194.02078	2.7
198.09131	3.5
205.07007	1.1
209.04448	6.5
209.15388	24.8
210.11263	2.5
210.14735	1.1
217.08672	1.1
227.34560	1.2
227.86607	1.1
237.02852	1.5
243.09129	1.2
268.97919	4.6
285.00967	3.8
296.74069	1.1
303.02057	1.4
340.12848	1.6
353.13840	1.3
353.19510	1.7
355.06940	2.7
371.16779	100.0
372.16705	6.3
387.13434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05510	1.3
55.23254	0.9
55.57462	0.8
56.96552	1.6
67.05490	2.2
69.03417	1.0
69.07066	4.2
69.78529	1.6
69.78944	4.2
79.05479	2.5
81.03399	1.1
81.07047	2.5
91.05403	4.3
93.07038	6.8
94.66451	0.8
95.04950	2.8
95.08591	1.5
95.14040	0.7
97.02888	1.1
97.06500	0.9
100.64733	0.8
103.05460	3.0
105.07017	2.5
107.04962	1.4
107.08565	1.3
109.06516	0.8
109.10123	1.1
119.04903	0.9
121.06503	7.4
121.10100	1.2
123.04427	1.4
129.07027	1.0
131.04881	2.9
133.06464	1.1
137.05959	1.2
145.10167	0.8
147.04379	2.3
147.08087	0.9
147.11629	0.8
149.05968	100.0
150.06268	1.9
151.07466	1.0
161.05975	7.1
167.07027	56.6
173.09528	0.8
175.07544	3.3
177.09099	1.4
191.10678	2.0
193.08615	1.5
205.12178	4.8
217.12253	2.2
281.10425	0.8
285.10187	1.5
297.11078	6.9
299.11792	1.7
315.12265	3.4
344.89252	0.8
347.98151	0.8
353.13596	1.6
353.17462	12.7
353.21436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1485
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
51.95506	0.3
53.03951	0.5
55.01861	0.5
55.05508	3.2
67.05487	1.3
68.22540	0.3
69.03415	0.6
69.07060	0.6
70.14834	2.0
73.06567	0.4
77.03921	3.0
79.05473	2.2
81.03394	0.7
81.07046	1.0
84.26433	0.4
91.05450	1.0
93.07007	0.9
94.12522	0.4
95.04963	0.9
95.07122	0.4
95.08636	0.4
97.02914	0.4
105.03387	1.3
105.07021	1.1
107.04939	2.1
107.08587	0.5
109.06535	0.5
109.10102	0.4
117.07023	0.4
119.04897	0.6
119.08550	0.8
121.06494	0.7
123.04391	0.8
128.06180	0.8
129.05412	0.4
129.06963	0.9
131.04950	0.5
131.08591	0.5
133.01836	0.8
133.02846	14.9
133.10132	0.8
135.04395	2.0
137.06001	0.8
139.03833	0.4
143.08549	0.7
145.10114	0.5
147.04434	1.8
149.05820	0.5
151.03897	6.7
159.07906	0.4
161.02290	1.3
161.05951	0.8
161.09567	0.7
163.03900	30.1
164.04370	0.4
165.05466	0.7
167.07033	1.5
171.08008	0.5
175.03967	0.8
175.07523	1.5
175.47215	0.4
177.05473	0.9
179.07120	0.9
185.05983	1.8
187.03903	1.3
187.07516	0.7
189.05406	0.7
189.08954	0.5
191.14284	0.6
199.07565	1.1
202.06197	0.6
205.04904	0.7
217.08589	15.9
235.09639	100.0
236.09979	3.6
245.80806	0.4
249.08913	0.4
270.03839	0.4
277.08459	0.5
299.09589	0.4
309.11255	0.4
339.12228	0.6
353.13803	1.3
371.15228	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73853	2.3
53.03951	2.9
55.01870	3.3
66.45248	3.2
66.96892	2.8
67.05495	6.4
69.03419	8.3
70.47318	12.4
75.59010	2.6
79.05492	12.6
81.07042	11.9
81.90736	3.2
83.04970	5.3
83.08601	5.4
85.02892	4.0
91.05465	11.5
93.07040	8.1
95.04972	6.8
95.08601	8.5
97.02898	5.0
97.06528	3.7
98.21423	3.6
103.05431	4.5
105.07019	9.9
106.95233	3.1
107.04945	23.1
107.08549	7.1
109.06527	7.3
109.10130	4.8
115.05436	4.5
116.06245	3.1
119.08589	5.7
121.06493	4.0
121.10099	6.3
122.03614	5.9
123.04404	8.2
123.08035	4.2
124.05164	5.7
125.05995	5.0
128.06226	6.3
129.06992	17.5
131.04910	8.8
131.08592	3.8
133.06496	4.2
133.10139	9.0
135.08037	3.2
137.05978	53.0
137.09604	5.8
141.06969	3.5
144.05655	6.7
145.06419	5.4
147.04364	5.6
147.08026	3.9
151.03870	3.8
152.04715	5.0
156.05667	12.7
157.06464	6.2
159.08043	15.5
160.05209	6.3
161.05981	9.2
161.09631	2.7
163.03928	4.0
163.07465	3.3
165.05573	3.1
167.07034	100.0
168.07436	3.0
172.05165	6.1
173.05913	4.8
174.06772	6.3
175.07535	23.4
177.05486	7.5
178.07745	3.4
179.07100	5.7
179.08607	3.0
181.08667	3.7
181.12088	3.3
184.05037	3.8
185.05981	3.1
187.07539	23.1
189.07024	2.9
189.09053	8.4
190.07674	5.5
191.07013	7.7
191.08586	3.1
191.14307	6.1
193.06500	2.9
195.06470	2.9
199.07532	7.1
202.06239	3.4
203.08524	5.0
205.06543	3.9
205.08424	3.8
206.07265	4.8
207.08055	6.5
209.15344	5.4
215.08560	4.6
217.08575	34.6
218.07240	13.7
219.08037	12.0
221.09509	7.9
223.07594	4.1
226.06261	4.7
231.08020	10.5
232.08865	6.0
233.09662	15.3
234.06804	11.3
235.07495	11.4
236.08269	3.5
239.06976	9.0
241.08675	11.4
242.05630	3.9
245.06065	3.0
246.06644	6.6
247.07474	9.0
247.09677	11.6
248.08272	4.3
249.09074	20.4
251.06946	7.5
251.10724	3.2
252.07686	6.9
259.07739	3.9
260.08282	6.9
261.09045	21.4
262.05942	5.1
262.09833	3.5
263.07007	13.2
263.10794	3.7
264.07770	5.8
265.08615	8.2
266.09357	3.4
269.07986	4.0
271.06073	4.8
275.06882	3.3
277.08676	29.3
278.09418	14.3
279.10138	7.4
281.11768	9.0
285.07700	18.1
289.08533	11.7
291.09973	4.0
292.07141	3.0
292.10382	3.6
293.08673	4.1
293.11508	16.2
294.09061	3.8
295.09485	4.6
300.09885	20.7
301.10556	10.4
306.08691	9.0
307.09595	8.1
309.11218	13.1
311.12802	7.2
313.10562	5.2
321.11264	19.8
322.11972	4.7
323.09024	3.7
325.10513	3.2
326.11533	11.9
338.11325	3.7
339.12247	16.9
341.13831	11.2
353.13892	33.1
371.15146	32.2
372.15179	4.2
376.77451	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99084	1.8
53.03930	2.5
55.05495	7.4
67.05497	4.4
69.03446	4.5
69.07066	2.3
69.42991	19.2
71.04965	2.3
78.04720	4.5
79.05475	8.0
81.03410	3.0
81.07048	7.1
83.04945	4.3
83.08630	4.4
85.02877	2.6
85.06541	3.5
91.05479	6.7
91.27497	2.4
93.07016	3.9
95.04983	6.3
95.08609	5.8
97.02916	3.0
98.21577	3.5
100.11272	13.0
103.05480	3.5
105.07014	7.1
107.04971	12.9
107.08558	11.0
111.04482	2.2
111.08111	2.0
115.05463	4.3
117.07039	3.4
118.04076	2.1
119.08569	6.2
121.06516	4.0
121.10125	3.2
123.04438	9.6
124.05186	4.0
125.09637	3.1
128.06230	4.6
128.07088	2.8
129.07028	8.1
131.04913	5.1
131.08582	3.0
132.05734	5.7
133.06479	3.8
133.10120	9.2
135.08084	2.9
135.60526	1.9
137.05948	4.0
137.09583	2.5
139.11177	2.3
145.06511	3.8
147.08067	6.1
147.11703	3.8
149.09499	2.7
152.04663	3.1
155.07018	2.5
159.08060	3.5
160.05110	3.9
161.05994	7.8
167.07042	100.0
175.07524	33.2
182.15381	7.1
187.07506	16.3
189.09148	4.2
191.07036	8.2
191.14337	8.9
199.07437	9.5
203.08536	6.2
207.08128	2.6
210.14873	3.7
217.08762	3.0
218.07144	2.2
219.08192	3.2
227.17599	5.6
232.08971	3.2
234.06818	3.7
235.07634	3.6
249.09023	5.1
251.07033	2.4
257.74072	1.9
261.08954	3.0
262.09991	2.6
263.07001	4.4
277.08755	3.6
278.09073	2.5
281.11703	7.9
289.08661	3.6
293.11804	3.1
307.09732	3.1
309.11130	8.0
310.11664	2.4
321.10989	6.1
322.11832	2.5
325.14478	2.1
339.12299	3.9
341.13623	3.6
353.13516	4.5
362.27444	5.1
362.77115	2.6
371.14856	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05508	1.9
63.27412	1.3
67.05497	4.1
69.03426	3.3
69.07056	2.1
69.36773	10.0
70.06585	3.2
71.04984	1.4
72.01093	1.1
72.08128	1.5
78.04722	2.6
79.05493	9.2
81.03416	3.1
81.07058	5.3
83.05000	2.0
84.70876	1.1
85.02907	3.2
85.06545	1.4
86.09704	1.8
91.05491	5.3
93.07030	5.6
95.04964	4.0
95.08607	3.4
97.02895	1.7
97.06560	1.8
101.06010	1.8
103.05445	3.0
104.06300	1.1
105.07024	8.7
106.04224	1.7
107.04945	12.7
107.08591	3.3
109.02857	1.7
109.06549	1.8
109.10073	2.0
111.08062	1.5
115.05444	3.1
117.07014	3.5
119.08601	6.0
121.06490	3.4
121.10142	2.5
123.04408	6.6
123.08086	1.5
123.11661	1.3
124.05209	4.1
125.05934	1.8
127.03916	2.4
128.06221	3.3
129.06992	8.4
131.04932	3.9
132.05699	2.8
133.06505	5.5
133.10069	3.2
135.08075	2.9
137.05975	4.2
137.09605	4.5
141.09125	1.5
143.04910	1.2
144.05728	1.8
145.04840	1.2
145.06465	3.7
145.10172	1.3
147.04349	1.8
147.08051	6.4
147.11632	1.2
149.06000	1.5
149.13203	1.1
151.03922	2.2
151.11182	3.0
152.04631	2.3
153.05409	1.5
156.05696	2.3
157.06456	2.0
159.08041	7.2
160.05183	2.3
161.06026	8.3
163.07501	1.5
166.05043	1.4
167.07036	100.0
168.07405	3.0
174.06721	1.2
175.07555	28.2
177.05452	2.8
177.09209	1.3
182.76924	1.1
187.07542	17.8
189.09158	2.0
190.07744	2.5
191.07068	4.1
191.08623	1.5
191.10497	1.3
191.14281	5.0
199.07539	7.0
202.07747	2.2
203.08566	3.6
206.07277	2.4
209.15399	4.1
217.08603	3.8
218.07253	3.6
219.08072	1.9
221.09639	3.4
231.08101	2.6
233.09668	3.5
234.06805	2.8
235.07570	3.3
237.10280	7.6
238.10855	1.4
246.06729	2.0
247.07639	1.6
249.09259	5.3
251.07568	1.4
261.09113	5.2
263.07013	2.3
265.09793	9.9
267.10486	1.9
277.08643	4.7
278.09393	2.0
279.10330	1.5
281.11664	6.3
285.00873	1.9
289.08643	2.6
291.10104	1.4
293.08966	5.1
293.11920	3.0
295.09747	1.4
306.09000	2.2
309.11102	8.5
311.10416	6.0
321.11356	2.9
322.11993	1.7
323.09171	1.2
326.11453	2.9
338.11340	1.5
341.13864	6.5
353.10709	2.3
353.14316	2.5
371.12268	14.0
371.16708	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.5
55.01863	3.1
55.05505	3.3
55.63769	1.8
56.65592	1.5
56.96561	3.0
57.03421	1.8
57.07070	2.0
59.04987	1.8
59.58852	1.9
65.03945	5.3
67.05506	11.0
69.03421	9.8
69.07057	2.4
69.52663	4.0
69.53065	9.9
70.06590	7.5
73.04762	3.0
79.05485	6.9
81.03415	4.2
81.07053	6.0
83.04983	14.2
83.08630	3.4
84.04487	3.4
84.08138	4.9
84.56582	1.7
85.02912	10.0
86.09713	3.1
89.03915	7.2
91.05816	33.6
93.03384	2.2
93.07041	3.8
94.23064	1.8
95.04449	2.4
95.04977	21.0
95.08581	3.0
97.02926	4.3
98.97562	4.0
99.04465	4.2
105.03396	11.2
105.07014	4.5
107.04939	5.0
107.08601	6.4
109.02886	5.0
109.06497	3.7
109.10132	2.9
111.04453	9.9
111.08056	2.1
116.98672	2.9
117.03367	5.2
119.08607	2.3
121.02882	3.2
121.06499	1.7
121.10164	6.1
122.06027	5.5
123.04440	34.6
123.08058	1.7
123.11700	1.8
125.09648	3.6
127.03899	4.4
129.05464	6.9
133.02855	34.4
134.99600	2.1
135.04413	17.4
135.08047	2.5
136.07594	4.7
137.02333	12.3
137.05974	3.2
139.03903	7.3
145.02840	4.7
147.06554	3.5
147.07664	2.8
149.09615	2.5
149.13277	3.9
150.03136	8.0
150.05498	4.1
150.09142	2.0
151.03925	25.0
152.07062	1.8
153.09128	5.5
155.83038	2.1
157.04974	3.1
161.01134	2.9
161.02351	32.5
163.03894	39.3
163.11208	1.7
163.14731	2.7
164.07074	5.4
167.07036	4.4
167.31845	1.8
173.13344	2.3
177.00742	2.1
178.02522	2.0
178.05107	2.7
179.03407	86.6
180.03728	1.9
187.07603	2.1
188.07115	2.0
188.10789	2.0
191.10632	2.0
191.14349	9.7
191.15842	1.9
197.04532	11.6
198.07544	2.0
198.72234	1.8
209.04362	9.4
209.15407	10.5
212.14987	2.0
220.09727	2.5
230.08049	2.1
238.10629	2.5
239.08217	2.5
266.99908	2.4
268.97775	7.3
273.56079	2.0
285.00922	8.9
303.02057	2.5
308.11826	2.1
355.07050	7.0
371.16806	100.0
387.13190	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96057	2.3
55.01859	7.7
55.05512	62.2
56.05027	4.1
56.96579	3.0
57.03429	3.7
59.04995	2.9
65.03937	3.4
67.05500	39.1
69.03421	9.8
69.07066	57.9
69.94584	13.9
71.04998	2.9
71.12608	2.4
74.06081	6.5
79.05497	50.7
80.05013	22.0
81.03411	4.5
81.07058	50.5
82.06569	5.2
83.04974	7.5
83.08621	39.8
85.02927	4.4
85.06526	3.4
86.09710	4.5
91.05461	27.9
93.07052	26.3
94.06567	18.7
95.04955	9.4
95.07337	3.9
95.08606	27.2
96.08115	4.8
97.02894	2.4
97.06539	5.8
97.08894	2.6
97.10164	71.8
97.92825	3.0
98.09698	3.7
99.42708	2.4
100.07642	6.3
103.05443	2.8
105.07031	35.3
106.06592	4.1
106.07339	5.9
107.04961	9.8
107.08582	44.1
108.08125	5.8
109.06499	5.7
109.10155	9.0
111.08068	4.8
113.09641	3.8
114.09147	10.6
117.07007	7.6
119.04929	2.4
119.08569	17.8
121.06504	3.5
121.10142	11.9
122.09700	2.6
123.04440	3.1
123.08070	3.6
123.11712	3.0
125.09631	58.6
127.03921	2.5
128.06161	3.2
129.06956	2.8
130.04994	7.1
131.08571	10.6
131.88377	2.5
132.10208	12.1
132.11052	2.4
133.06487	3.1
133.10133	23.2
135.08051	9.2
135.11696	3.5
137.05978	6.8
138.12704	3.8
141.06973	3.4
141.63583	3.4
142.12267	100.0
143.08585	2.5
143.10669	4.0
145.06557	3.1
145.10089	9.9
147.04381	7.4
147.11699	8.8
149.06038	3.6
149.09615	6.7
151.03986	4.2
153.09154	3.9
155.08560	3.3
159.08098	3.8
159.11736	8.4
161.05983	4.1
161.09612	2.7
161.13223	5.7
163.07570	19.5
163.11163	3.4
164.07881	19.3
167.06998	13.7
171.11667	3.8
173.11732	3.2
175.03902	5.3
175.07512	4.5
179.14346	3.8
187.07480	2.9
187.11116	2.7
189.05510	4.8
189.09305	3.3
189.11221	72.8
204.13783	6.5
208.06966	4.1
217.08569	8.2
222.14888	13.5
235.05910	5.2
257.18784	3.1
268.98041	2.6
274.21722	6.7
275.20059	41.2
278.09183	2.9
281.08286	2.5
292.22708	78.1
293.21024	3.1
295.09778	3.6
309.11261	3.6
310.11386	2.6
339.12177	3.7
352.24915	4.4
370.25766	3.9
371.11050	3.5
371.15005	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	38.4
57.03430	12.5
57.07072	26.1
67.05503	74.1
69.07066	59.6
71.04992	7.8
71.08639	14.4
71.58271	6.6
71.58730	8.5
79.05495	29.4
81.07051	100.0
83.08618	34.6
85.10175	10.9
91.05486	20.5
93.07060	28.8
95.04971	8.3
95.08607	85.7
97.06527	6.9
97.10152	25.4
99.08115	6.0
105.07030	19.7
107.08596	22.4
109.06438	6.6
109.10133	40.3
111.11697	9.1
119.08601	11.0
121.10147	29.4
123.11691	16.1
124.91212	6.0
133.10118	17.2
135.11687	12.5
137.13289	5.9
147.11655	9.0
149.13266	8.5
161.13264	15.4
163.14874	7.4
164.97984	6.6
165.16331	6.9
175.14830	11.8
177.16357	9.4
254.83527	5.7
259.24228	35.2
277.25189	42.7
324.32684	34.9
351.29099	18.7
369.38992	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.0
55.01860	8.4
55.05510	34.9
56.72103	3.9
56.96540	5.8
57.07057	6.4
67.05500	42.7
69.03433	18.4
69.07056	40.5
69.62370	23.4
69.62779	10.4
71.04987	8.1
79.05479	39.0
80.05837	3.9
81.03410	12.8
81.07056	100.0
83.04993	8.8
83.08610	12.2
85.02905	7.7
85.06551	16.4
91.05476	47.9
93.07038	68.9
95.04956	16.4
95.08605	89.4
95.26634	4.2
97.02886	5.8
97.06543	15.1
97.10147	18.2
98.21471	9.8
99.04466	6.1
101.06047	4.4
105.07030	54.5
107.04951	9.0
107.08598	60.7
109.02872	8.4
109.06507	17.6
109.10154	42.5
111.08117	6.8
115.05482	5.0
117.07010	9.1
117.10192	4.4
119.04928	22.4
119.08575	37.9
121.06525	9.0
121.10129	51.3
123.08080	20.7
123.11681	19.7
125.09625	23.1
127.03933	6.9
127.07575	7.1
129.07022	7.2
131.08553	11.0
133.10121	32.3
135.08026	9.9
135.11696	25.3
135.59483	4.0
137.05957	7.7
137.09599	12.6
139.07503	5.2
139.11183	6.2
142.12245	5.9
143.08557	12.5
145.10143	22.3
147.04411	26.3
147.08078	5.2
147.11714	32.2
149.05995	10.5
149.09605	13.0
149.13231	16.3
151.11214	22.5
153.09068	4.9
156.09370	4.5
157.10135	10.9
159.11710	21.9
161.05939	4.9
161.09622	10.4
161.13249	16.2
163.03868	5.6
163.07533	11.8
163.11201	10.1
165.05441	6.2
165.09193	6.5
165.12775	7.6
167.07050	5.8
171.11661	6.8
173.13255	16.7
175.03899	35.8
175.11250	7.1
175.14824	13.0
177.12698	5.5
179.10741	6.3
181.12071	5.0
187.11195	4.8
187.14751	5.7
189.11171	8.6
189.12811	7.3
189.16408	10.8
191.10654	4.8
191.17715	4.7
193.15807	6.9
195.13834	11.5
199.07475	7.3
199.14836	8.3
201.16379	13.2
207.06531	56.2
207.10176	4.8
207.13750	10.9
208.06758	5.6
217.15869	13.0
219.17456	7.4
223.14931	4.7
235.16946	14.9
247.07541	5.6
265.08795	4.9
275.19955	6.0
279.21225	7.7
287.23627	6.7
292.22739	10.5
297.22150	18.9
305.24695	16.3
309.11166	6.7
315.23163	59.4
319.32593	4.4
333.24194	77.7
337.10721	9.3
339.12350	5.3
351.12192	4.6
369.09338	8.1
369.13400	14.5
369.18649	5.3
369.23944	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.6
55.05510	31.2
57.03456	42.2
66.53867	6.8
66.67479	6.9
67.05507	74.2
69.07064	30.0
71.04988	11.1
71.58117	9.0
79.05495	68.2
81.07062	100.0
83.08630	16.3
91.05492	56.4
91.20724	7.6
93.07042	82.8
95.04974	19.2
95.08608	79.1
97.06528	18.9
105.07053	46.7
107.04994	6.7
107.08594	55.3
109.06510	9.6
109.10162	34.3
117.06988	9.9
119.08582	37.3
121.10151	38.9
123.08111	10.9
131.07074	8.1
131.08589	24.6
133.10107	36.2
135.11691	32.4
137.09547	10.8
145.10144	21.4
147.11694	23.7
149.07562	8.0
149.09512	9.7
149.13260	9.4
157.10164	10.2
159.11707	13.9
161.13255	9.8
163.14764	12.6
171.11798	10.2
173.13304	15.1
185.13312	10.7
187.14835	17.9
205.15884	18.4
217.76811	8.7
246.89450	7.0
259.20569	26.8
260.43423	7.6
267.08734	8.8
277.21689	38.1
351.25287	22.8
369.24045	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07611	4.3
51.26517	3.9
53.03935	10.8
55.01872	9.3
55.05514	41.4
56.96548	6.1
57.03418	6.9
57.07071	10.0
57.21157	5.4
63.28336	4.1
65.03937	9.0
65.65564	4.4
67.05508	56.6
68.05849	5.1
69.03419	24.1
69.07072	51.9
71.04986	7.1
71.58482	10.4
79.05491	48.6
81.03426	22.4
81.07056	100.0
83.04997	10.0
83.08626	21.3
85.02906	15.4
85.06540	18.6
91.05474	56.8
93.07044	71.3
95.04955	25.0
95.08607	89.2
97.06546	23.6
97.10141	23.1
99.04469	8.7
101.01283	4.8
101.06045	5.9
103.05446	6.8
105.07033	59.3
107.04971	15.6
107.08589	61.9
109.06514	21.2
109.10146	49.9
111.04523	5.0
111.08081	12.2
113.05992	5.3
115.07576	4.4
116.98579	5.7
117.07005	10.0
119.04942	18.9
119.08558	49.4
121.02866	4.7
121.06499	10.9
121.10142	58.2
123.04474	5.2
123.08059	13.0
123.11689	26.7
125.09624	28.7
127.03898	6.1
127.07548	13.1
129.07016	10.6
131.08560	28.9
133.06471	4.7
133.10156	45.3
134.99669	6.8
135.04367	5.5
135.08032	9.0
135.11673	25.0
137.05995	17.2
137.09599	13.6
138.26749	4.3
139.11113	6.5
142.07776	6.7
142.12271	7.9
143.08557	20.5
145.06360	4.6
145.10120	26.5
147.04427	20.1
147.08049	5.3
147.11687	31.1
149.05956	10.3
149.09618	16.3
149.13260	13.3
151.11200	20.1
153.09044	7.1
157.10100	24.1
159.11694	19.5
161.05972	8.5
161.09579	11.9
161.13268	20.3
163.07492	12.5
163.11168	7.2
165.09059	6.6
165.12794	7.4
167.07004	10.3
167.08417	4.8
167.10693	10.4
169.10080	8.7
171.08092	5.5
171.11737	11.7
173.13254	15.3
175.03850	26.4
175.07539	4.6
175.11194	8.6
175.14845	9.8
177.12735	14.2
183.11763	5.4
185.13248	8.2
187.14706	6.2
189.11264	8.6
189.12756	10.5
193.10045	5.4
199.14886	16.7
201.16402	8.6
203.10649	5.9
207.06494	44.5
207.08218	6.4
207.10213	8.1
207.13788	11.2
207.17343	6.5
213.16391	4.9
217.15881	13.1
219.08173	7.4
219.17587	5.1
222.14926	6.3
235.07365	5.6
235.16922	15.8
251.07036	5.1
275.07257	5.4
275.20096	10.8
279.06357	5.7
279.20953	6.0
287.23624	10.4
292.22748	15.8
293.08228	6.7
295.09613	7.2
297.22055	18.3
305.24612	12.5
309.11768	7.2
313.10272	5.4
315.08734	10.7
315.23184	62.4
333.13361	5.1
333.24271	81.6
337.10562	17.9
338.11197	9.0
339.12286	5.9
351.12146	7.2
351.25641	5.5
369.09402	8.2
369.13596	22.0
369.24362	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.01870	7.2
55.05510	34.8
57.03437	45.5
57.07067	7.6
57.95160	3.5
65.03928	5.6
67.05504	99.8
69.07068	25.0
69.31650	5.5
69.31973	40.7
71.02204	3.3
71.04997	3.6
79.05492	64.2
81.07054	100.0
83.04964	5.7
83.08615	21.6
85.06543	12.5
91.05470	51.7
93.06487	4.9
93.07041	82.0
95.04951	12.6
95.08612	76.1
96.71006	3.9
97.06508	12.8
97.10150	16.1
99.08043	8.9
105.07016	43.5
107.04938	4.3
107.08590	70.1
109.06509	12.4
109.09480	4.3
109.10160	55.8
111.08091	8.1
115.05463	4.1
116.87780	3.8
117.07000	18.0
119.08591	29.3
121.06603	3.7
121.10134	46.6
123.08073	13.1
123.11696	9.0
125.09612	11.0
129.07021	8.0
131.07040	8.5
131.08580	27.8
133.10156	30.8
135.11696	32.2
137.09608	8.0
143.08554	10.7
145.10127	28.8
147.11685	26.4
149.13242	17.2
151.11208	7.7
157.10042	11.0
159.11693	20.4
161.13307	11.5
163.11011	5.5
169.10162	4.1
171.11691	13.1
173.11789	6.0
173.13243	10.0
175.14796	11.0
185.13196	14.1
187.14839	29.5
189.11252	10.3
199.14792	8.7
201.16443	4.3
203.10632	9.0
203.18044	5.3
205.15881	15.6
213.16405	4.4
219.17450	4.8
221.18982	5.3
227.12801	7.7
241.19527	12.4
259.20547	29.7
261.19003	4.0
277.21637	70.7
300.00659	3.7
351.25174	35.7
369.27429	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66383	2.2
55.01879	2.4
55.05508	4.3
57.03431	2.8
58.06553	2.5
61.02915	2.2
67.05498	3.8
69.03419	13.6
69.07005	2.9
69.63543	16.2
79.05502	4.1
81.03416	5.9
81.07055	3.6
83.04983	10.8
85.02897	20.1
87.38583	2.0
91.05479	8.7
93.07029	6.5
95.04974	4.2
95.08583	3.1
97.02887	6.5
97.06522	2.6
98.20857	4.8
105.07029	14.4
107.08617	13.8
109.02873	6.0
109.06520	6.9
109.10094	2.5
111.04462	2.6
112.01535	2.2
117.06998	2.7
119.04964	3.7
119.08578	16.1
121.06499	2.6
121.10148	10.7
123.08041	6.0
127.03911	5.2
131.08566	5.6
133.06471	3.2
133.10147	27.2
135.08047	9.2
136.07576	3.0
137.09607	8.0
139.41718	2.6
143.08551	3.6
145.02847	3.4
145.10150	8.6
147.08070	5.7
147.11697	11.9
149.09602	21.7
151.11177	41.5
156.09367	5.4
159.08035	19.6
161.09593	8.1
161.13277	12.2
163.11191	15.6
171.11690	7.8
174.10402	50.0
177.05453	4.5
189.12730	100.0
190.13075	5.0
191.14284	29.8
207.13766	47.9
290.69006	2.5
369.15070	4.2
369.19180	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.2
55.01865	2.9
55.05495	3.4
57.03429	3.8
60.71247	1.5
61.02928	2.7
67.05497	7.0
69.03428	25.4
69.07073	2.8
70.06594	4.5
70.60600	3.9
70.61001	2.9
71.01342	2.0
71.04984	3.2
73.02904	3.0
79.05470	5.8
81.03418	15.2
81.06721	1.4
81.07064	14.7
83.04982	4.8
85.02905	100.0
91.05479	23.1
92.44366	1.7
93.07040	6.9
95.04990	5.0
95.08598	8.3
97.02897	9.4
97.03422	2.1
97.06516	3.6
99.04449	5.4
105.07030	13.1
107.04955	3.4
107.08591	6.7
109.02876	8.8
109.06548	6.5
109.10152	12.1
110.07151	2.9
111.04439	1.8
111.08100	6.7
113.06030	1.8
117.07019	2.9
119.04929	12.9
119.08579	11.5
121.06548	2.6
121.10152	4.2
123.04385	2.2
123.08047	3.5
123.11703	68.7
125.05981	16.9
125.09581	1.9
127.03912	9.8
131.08585	4.7
133.06511	4.7
133.10135	5.7
135.08052	3.0
136.07593	2.5
137.05991	2.6
137.09653	2.5
139.07570	6.7
141.06918	1.9
143.08553	4.3
145.10118	7.0
147.04370	8.1
147.08043	4.5
147.11673	13.5
149.09595	9.2
151.07576	5.7
151.11192	4.0
156.09290	3.4
159.08095	2.5
161.09695	2.4
162.05528	2.2
163.07556	2.8
163.11093	2.8
171.11543	3.9
174.10493	2.3
175.03906	12.8
179.10689	1.9
189.12741	26.0
207.06451	21.7
207.09991	2.8
207.13791	41.5
333.16931	5.2
351.10776	5.9
351.17923	5.0
369.05798	2.0
369.14938	11.1
369.19168	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01865	2.7
55.05500	2.8
57.03423	4.2
57.07084	3.1
58.87143	1.3
60.05639	2.8
61.02915	2.2
63.80867	1.3
67.05497	4.6
69.03428	24.5
69.07047	2.9
69.59399	3.0
69.59808	10.2
70.06597	20.0
71.04977	5.6
72.08183	1.5
73.02927	2.4
76.75536	1.4
79.05498	5.4
81.03423	8.2
81.07046	15.4
83.04984	2.1
84.26047	1.5
85.02900	100.0
87.04469	1.7
91.05481	7.7
93.07036	3.7
95.04980	5.3
95.08611	6.5
97.02888	11.2
97.06551	2.4
98.06067	1.8
98.21455	3.0
99.04460	5.2
105.07014	9.8
107.04929	1.5
107.08577	2.1
109.02870	5.8
109.06506	5.7
109.10170	8.1
110.06032	4.8
111.04425	2.6
111.08089	3.6
111.86357	1.3
117.09336	1.5
119.04975	2.1
119.08559	10.0
121.02898	2.1
121.06544	1.6
121.10161	5.8
123.08063	2.5
123.11696	75.1
124.07554	1.8
125.02383	1.4
125.05981	8.9
127.03923	9.5
131.08572	5.0
133.06526	3.5
133.10150	3.8
137.05991	1.6
139.03870	2.0
139.07513	4.8
141.07033	1.7
143.08571	3.0
145.04921	1.9
145.06487	1.5
145.08585	3.8
145.10121	5.5
147.04436	2.3
147.08026	3.8
147.11638	11.8
149.09625	7.2
151.07550	6.9
151.39348	1.5
156.09329	3.1
159.08014	2.7
161.09622	3.8
161.13298	1.7
163.11191	1.4
167.47903	1.5
171.08054	1.7
171.11633	3.6
175.03877	3.0
175.07463	2.0
175.11942	8.0
177.05478	2.7
189.09096	8.3
189.12738	25.3
207.06485	3.3
207.10202	4.3
207.13803	37.6
225.14886	5.3
257.77246	1.3
269.10172	2.2
287.05527	2.9
288.05942	1.8
333.17032	8.5
351.17926	11.2
369.15067	10.4
369.19116	11.6
369.22626	7.5
369.27365	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.24203	1.4
55.05518	1.8
62.40543	1.4
67.05482	4.3
68.98470	1.5
69.03417	6.3
69.07053	1.7
70.37180	1.8
71.58209	3.0
79.05463	2.5
81.03395	4.9
81.07050	4.2
81.57184	1.3
85.02888	2.2
91.05490	10.2
93.07037	4.0
95.04977	2.9
95.08599	3.8
97.06506	2.5
105.07034	3.5
107.08602	2.7
109.02839	1.4
109.06511	2.0
109.10075	1.9
109.78352	1.5
111.75439	1.5
119.04925	7.4
119.08574	2.3
121.10163	1.6
124.07606	1.6
127.03925	2.2
131.08572	1.7
131.71129	1.4
135.08060	2.0
137.05956	2.9
141.62062	1.3
147.04408	6.5
147.11761	1.9
149.05946	4.0
152.06174	5.3
153.06993	1.4
158.11134	1.5
158.24405	1.3
159.11748	1.8
161.06062	2.0
165.06924	2.9
167.07045	3.7
167.08438	1.4
171.11742	1.7
175.03914	9.1
178.07652	2.1
179.08507	2.2
180.05704	3.9
181.06490	3.2
189.07001	2.9
190.07637	1.9
191.08534	3.8
191.10646	2.0
193.10211	1.7
194.03633	3.5
194.07182	2.7
195.08058	2.6
196.05153	1.7
196.08842	2.8
202.07863	3.9
203.08505	2.5
205.06534	6.7
206.07271	6.7
207.06534	17.6
207.08084	3.2
208.05182	54.0
209.05946	3.7
209.09749	1.4
210.06853	4.0
211.03775	2.3
211.07538	3.4
213.05374	1.6
215.08708	1.8
217.06467	2.5
218.07268	5.5
219.08051	16.1
220.08804	4.1
221.05997	3.8
222.06792	3.6
223.07564	5.2
224.04709	3.8
224.08255	4.0
225.05528	3.6
225.09116	4.4
226.06129	2.7
227.07024	3.6
230.07204	2.2
231.08054	5.7
232.08853	1.9
233.05959	5.2
233.09636	5.0
234.06805	10.2
234.10384	1.6
235.07475	9.0
236.04744	10.5
236.08214	3.7
237.05467	2.7
237.09079	2.6
238.06154	2.0
239.07033	12.7
240.04100	9.6
241.04846	2.3
241.08568	2.9
242.05771	4.7
246.06717	4.2
247.07516	35.1
248.08327	12.6
249.09079	10.5
250.06216	5.8
251.06999	4.9
251.10542	2.5
252.07813	4.9
253.08546	3.8
254.05698	12.4
255.06512	5.5
256.03632	1.9
257.04449	5.7
257.08063	2.2
258.06778	2.9
259.07562	5.6
260.08322	5.2
261.05481	3.8
261.09091	4.0
262.06299	5.2
263.07065	12.3
263.10663	8.6
264.04156	1.9
264.07800	8.6
265.05701	1.6
265.08530	12.9
266.05673	3.0
266.09454	1.9
267.06516	4.3
267.10098	4.7
268.03577	3.4
269.08096	27.3
270.08875	1.6
271.06088	6.3
272.06827	4.0
275.06970	22.6
276.07791	9.9
277.05469	1.3
277.08569	27.2
278.05994	3.3
278.09302	5.4
279.06494	5.0
279.10138	9.2
280.07202	8.4
281.08145	5.0
281.11789	5.8
282.05264	5.2
283.06064	2.5
284.06827	4.5
285.07587	20.1
285.11148	4.8
287.09286	2.9
288.07959	1.8
289.08603	2.5
290.09308	18.4
291.06552	4.2
291.10165	15.9
292.07361	5.9
293.08029	16.0
294.08820	5.9
295.06024	4.5
295.09647	9.4
297.07483	2.5
300.06296	4.3
300.09927	18.8
301.07071	2.0
304.07272	2.8
305.08142	11.6
306.08795	5.5
307.09592	19.9
308.06912	3.0
308.10428	9.3
309.07553	12.4
309.11194	15.1
310.08142	2.4
311.09131	2.3
311.12814	2.2
313.10669	16.4
315.08597	100.0
316.08868	3.4
318.08856	11.9
319.09659	12.1
320.10345	8.8
321.07565	4.4
321.11234	12.5
322.08127	2.8
323.09116	28.1
323.12805	10.0
324.09897	19.5
325.10583	9.1
336.09918	13.0
337.10632	14.0
338.11508	24.1
339.08624	3.3
339.12216	19.4
341.13864	2.7
351.12250	34.0
354.10934	4.1
369.06247	2.5
369.13312	54.2
370.13705	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	3.0
55.05514	2.7
56.48211	0.9
57.03432	1.6
61.49511	0.8
63.17275	0.8
65.03927	1.9
65.33790	0.7
67.05510	3.1
69.03431	6.9
69.07067	2.4
71.04984	0.9
71.58061	1.0
72.49706	0.8
77.32507	1.0
77.56818	0.8
79.05485	3.6
81.03422	5.4
81.07060	4.7
83.08600	2.1
85.02908	3.3
85.06511	1.2
86.10548	0.9
91.05482	11.4
93.07045	4.8
95.04960	4.0
95.08617	3.4
97.02911	2.5
97.06529	1.8
97.10177	1.0
98.97594	1.8
99.04451	1.5
103.05455	1.6
105.07038	5.7
107.04953	2.7
107.08599	4.5
109.02837	2.5
109.06506	2.8
109.10178	2.8
111.08073	2.1
112.99995	0.9
116.98639	2.3
117.06999	1.6
119.04937	10.4
119.08589	3.3
121.06484	2.3
121.10122	2.6
123.04453	2.2
123.08073	1.5
127.03905	1.7
128.06239	1.9
129.07028	1.0
131.04921	1.9
131.08556	1.2
132.05721	1.0
133.02928	1.0
133.06490	1.6
133.10146	2.0
133.61383	0.9
135.08063	1.9
135.11699	0.9
137.05962	2.1
137.09592	2.0
139.03870	1.3
143.08521	1.8
145.06488	2.2
145.10121	2.3
147.04401	10.3
147.08038	1.7
147.11664	1.3
149.02370	1.5
149.05977	11.1
149.09607	1.0
155.08452	0.8
157.03993	1.4
159.08084	1.2
159.11697	1.4
159.85098	0.9
161.05984	2.4
161.09694	1.8
163.03941	0.9
165.06981	3.2
166.07727	1.3
167.07043	5.2
167.08279	0.8
169.06387	0.9
171.08038	1.6
171.11679	1.1
173.06064	1.4
175.03900	13.2
175.07555	5.5
177.06979	0.9
178.07808	3.3
179.08559	2.4
181.04982	0.9
181.06421	1.8
184.05176	1.5
189.07036	3.4
189.09117	1.1
190.07758	2.1
191.08589	2.9
193.06590	1.3
193.08478	1.3
194.07285	3.6
195.08034	3.2
199.07549	7.5
202.07791	4.3
203.08578	3.9
203.10680	3.2
205.06416	4.5
206.07219	1.9
207.06458	24.5
207.08057	3.1
208.05226	1.0
208.08876	1.4
209.06015	1.8
209.09656	1.3
210.06879	1.1
211.07568	1.0
215.08551	1.1
215.10587	1.5
218.07254	4.3
219.08025	7.6
220.08873	3.9
221.06015	2.9
221.09598	2.7
222.06798	3.3
223.07561	3.0
224.08337	1.5
230.07280	1.3
231.08125	5.8
232.08826	1.8
233.06032	3.1
233.09598	1.4
234.06752	3.3
235.07553	8.3
235.09982	1.0
235.10768	0.9
236.08217	2.5
237.09117	4.1
238.06340	1.9
239.06944	1.6
246.06795	2.0
247.07521	6.9
248.08369	5.5
249.05656	1.9
249.09045	5.5
250.06224	3.6
250.09871	1.3
251.06958	4.3
251.10710	2.7
252.07744	2.6
253.08475	1.4
258.06723	1.7
259.07553	1.5
260.08246	1.7
261.05573	1.2
261.09167	2.9
262.06308	1.3
262.09857	1.4
263.07053	3.5
263.10599	1.5
264.07892	3.5
265.08560	12.4
266.05966	1.1
266.09390	3.4
267.10068	1.6
269.08014	1.3
275.07047	3.0
276.07797	2.3
277.08588	4.0
278.05783	1.2
278.09406	3.0
278.93771	0.9
279.06619	2.3
279.10123	3.9
280.07327	1.4
280.10867	0.9
281.08249	1.1
281.11719	2.5
290.09402	1.2
291.10138	13.7
293.04871	1.3
293.08005	6.5
294.08820	4.6
295.09705	2.0
299.10071	0.9
305.08102	1.4
306.08704	1.1
307.09497	5.5
308.10419	2.6
309.11246	13.5
310.11450	0.9
311.09387	1.5
311.12766	3.5
315.08649	2.4
319.09653	8.0
322.08463	1.3
323.09283	2.1
324.09872	1.7
337.10681	100.0
338.11401	7.9
339.12164	4.5
351.11090	3.7
369.09927	1.4
369.13358	22.4
369.27811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03944	1.3
55.01869	1.9
55.05505	2.0
57.03423	1.4
64.05846	0.8
65.03925	1.1
67.05491	3.8
69.03427	6.0
69.07058	2.3
71.04968	1.3
71.58129	1.2
79.05482	3.4
80.74751	0.9
81.03407	5.9
81.07047	5.0
83.04961	1.1
85.02892	3.8
85.06553	0.9
86.09672	0.8
91.05465	11.3
93.07034	3.9
95.04946	2.0
95.08590	4.3
97.02901	1.1
97.06536	2.0
98.97569	1.4
99.04420	1.0
103.05445	1.7
105.07011	4.4
107.04942	2.0
107.08584	2.8
109.02896	1.8
109.06481	2.0
109.10158	2.9
111.04411	1.1
115.05416	1.7
116.98586	1.2
119.04941	8.7
119.08598	3.3
121.06480	2.4
121.10122	2.1
123.04412	1.3
123.08053	1.4
125.09611	0.9
127.03895	1.7
128.06233	1.2
129.06992	1.4
131.04910	1.5
131.08545	1.1
133.02849	1.0
133.06453	1.3
133.10120	2.2
135.11714	1.1
137.05977	1.7
137.09595	1.6
143.08549	1.1
145.06483	1.5
145.10046	1.0
147.04399	9.4
147.08026	1.3
147.11737	1.0
149.05980	6.9
149.09720	0.9
151.07599	1.3
151.11229	1.7
153.05493	1.1
157.06544	1.0
159.04504	1.1
159.08104	1.4
161.05951	2.2
161.09679	1.3
163.41293	0.8
165.07028	2.0
167.03427	1.4
167.07068	4.3
167.08328	1.1
175.03885	12.0
175.07532	3.2
177.07019	1.2
178.07793	2.5
179.08519	2.0
179.10692	0.8
181.06520	1.6
185.05885	0.9
189.07018	1.7
190.07756	2.4
191.08577	2.9
193.06491	1.1
194.07280	4.0
195.08084	1.9
199.07564	8.1
202.07776	3.1
203.08530	2.7
203.10670	2.9
205.06456	4.3
206.07356	2.1
207.06471	25.4
207.08092	3.2
207.09993	1.3
207.13832	0.8
208.05087	1.5
208.08740	1.2
209.06053	1.5
209.09634	2.5
218.07278	3.2
219.08047	8.4
220.08751	2.9
221.05942	2.4
221.09642	1.9
222.06781	3.6
223.07492	2.4
224.08305	1.2
231.08095	3.8
232.08870	1.7
233.05942	2.3
233.09612	1.4
234.06761	3.1
235.07587	6.1
236.08195	2.2
237.09074	3.9
238.06247	1.2
245.06221	1.1
246.06711	1.7
247.07550	6.4
248.08347	6.0
249.09085	3.6
250.06290	2.7
250.09775	1.2
251.07062	3.1
251.10722	1.7
252.07594	2.1
253.08563	1.4
258.06711	1.0
259.07596	2.3
260.08154	1.0
261.09088	3.0
262.06329	0.9
263.07013	3.4
263.10739	1.7
264.07800	3.5
265.08545	11.9
266.09314	2.9
269.08121	1.0
275.06976	2.7
276.07785	4.0
277.08545	3.0
278.06155	1.0
278.09384	2.5
279.06610	3.4
279.10153	4.3
280.07254	1.4
280.10922	1.2
281.07974	1.2
281.11752	1.2
283.09659	0.8
290.09369	0.9
291.06982	1.3
291.10153	9.8
292.10413	1.1
293.08063	6.8
294.08810	4.0
295.09598	2.2
304.07364	0.9
305.08353	1.2
307.09628	7.6
308.10367	2.6
309.11179	10.7
311.09351	1.4
311.12753	2.1
315.08588	2.2
319.09479	5.7
322.08234	2.1
323.09058	2.7
323.12665	1.5
324.10013	1.1
336.09592	1.3
337.10675	100.0
338.11246	8.8
339.12259	5.4
351.11050	4.5
354.10959	1.1
369.13370	21.7
369.17767	1.9
369.22906	1.4
369.27478	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.27187	0.4
55.01863	0.8
55.05498	0.7
57.03439	0.6
65.03938	0.7
67.05484	2.0
69.03424	2.0
69.07061	1.3
71.05013	0.6
71.57379	0.6
71.57787	0.6
73.68636	0.4
74.43929	0.4
79.05479	6.2
81.03407	1.5
81.07038	2.7
83.04985	0.7
85.02877	0.7
86.09697	0.6
91.05468	4.5
93.07030	1.9
95.04960	2.7
95.08618	2.2
97.02868	0.9
97.06509	0.9
97.10163	0.8
103.05462	8.4
105.07028	17.5
107.04940	1.2
107.08588	2.5
109.02875	0.4
109.06512	1.3
109.10123	1.5
111.08005	0.6
115.05456	1.5
116.70011	0.5
117.06983	0.7
119.04931	2.4
119.08569	1.2
120.05647	0.8
121.10144	1.3
123.08052	0.9
123.11720	0.5
127.03870	0.5
131.04916	1.7
131.08571	0.7
133.06479	2.0
133.10110	1.2
135.04395	1.3
135.08035	1.3
135.11685	0.6
137.05969	1.1
137.09641	0.6
145.06415	0.6
145.10101	0.8
147.04384	2.8
147.08028	0.7
147.11623	0.6
149.05928	1.1
157.10059	0.9
159.11559	0.5
163.07533	100.0
164.07869	2.5
165.09074	4.4
165.10071	0.4
167.05212	0.5
167.06897	0.7
171.11690	0.5
175.03896	2.6
175.07539	0.5
178.91093	0.5
179.10730	0.5
189.05461	0.6
189.11259	0.5
199.07472	0.5
207.06491	6.7
247.07661	0.6
277.08533	0.8
279.94785	0.5
305.08044	0.5
309.11368	0.7
315.23145	0.6
318.12421	0.6
333.24240	0.8
337.10556	1.1
338.11496	0.7
351.10919	0.6
369.13153	1.3
369.24008	0.7
380.76480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01863	4.8
55.05505	33.6
57.03419	7.4
58.06581	10.5
59.22445	2.5
60.04522	29.8
61.85525	2.1
65.29173	2.2
67.05502	28.3
69.03408	8.7
69.07060	22.2
69.31451	23.4
69.32047	2.3
70.06576	3.0
71.04973	12.9
79.05494	26.6
79.95303	2.4
80.04993	2.9
81.03414	5.0
81.07056	29.8
82.06573	2.6
83.04943	5.5
83.08614	16.0
84.08114	11.6
85.06521	5.3
86.09695	41.9
88.07610	8.7
91.05478	14.4
93.07040	22.0
94.06566	3.7
95.04955	10.9
95.08569	11.9
97.06538	4.1
97.10155	26.1
100.07597	3.8
105.07043	16.9
107.04921	6.7
107.08581	19.6
109.06501	9.2
109.10160	3.4
110.06082	4.7
110.51718	2.3
111.08051	3.1
112.07594	42.5
113.06007	3.9
113.07942	2.3
114.20728	2.4
117.06993	5.2
119.08595	6.7
121.06532	2.2
121.10136	9.1
122.09682	11.3
123.08030	5.3
125.09610	18.5
128.10709	47.9
129.07042	2.9
131.08540	5.3
133.10109	4.3
135.08057	5.0
135.11693	5.1
138.12720	4.7
143.08577	2.5
145.06419	3.4
145.10146	3.6
147.11702	2.7
148.11150	3.0
149.13164	2.5
154.08636	9.3
159.11693	5.9
172.09660	16.4
177.12788	4.7
180.13799	20.2
189.11156	15.4
204.74030	2.6
221.15424	5.1
223.13222	7.8
273.18402	8.1
276.20367	3.9
277.63828	2.3
290.21115	9.5
291.19537	12.0
308.22223	18.9
350.23270	18.8
368.24277	100.0
369.09628	3.7
369.24652	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01869	0.7
55.05500	0.5
56.96561	0.7
57.03429	0.9
61.02922	1.3
66.98640	0.5
69.03423	3.1
69.54434	3.6
70.06588	1.0
71.04984	0.7
81.03400	0.7
84.08134	0.5
85.02417	0.9
85.02894	8.0
89.03913	1.2
91.03977	0.4
97.02908	3.4
99.04458	0.8
100.74296	0.5
107.04987	0.7
109.02859	1.1
116.44136	0.4
116.98601	1.2
117.03397	0.8
127.03922	1.5
132.04451	9.3
134.99615	0.8
135.04410	1.8
143.00133	0.5
145.02859	0.9
145.04964	1.3
147.18542	0.5
148.01627	0.5
160.03935	0.9
161.01225	0.6
163.03889	7.5
164.04227	0.8
167.03397	0.7
167.06967	0.8
177.00609	0.8
177.01917	0.9
178.04984	74.2
179.05347	1.7
195.02919	0.5
206.04474	100.0
207.04732	2.7
219.01778	0.7
237.02757	1.0
279.03799	0.8
291.03925	0.7
303.51904	0.5
321.04688	0.6
368.09903	0.9
369.11346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.3
57.34570	3.8
61.02923	5.6
68.99783	6.7
69.03420	30.1
69.81559	3.6
70.06590	5.7
71.04968	4.7
71.57442	5.7
71.57830	5.4
73.02914	8.9
73.36423	4.5
81.03404	18.9
84.08089	6.2
85.02904	100.0
85.06525	6.6
87.00826	32.3
89.03865	5.1
95.04932	6.2
97.02906	39.5
99.04453	14.6
105.01866	48.4
109.02869	22.6
111.04410	7.2
120.08117	6.0
127.03900	61.2
135.04390	9.8
139.03905	4.6
145.04950	40.3
147.07913	4.7
148.03923	8.1
149.02325	9.0
159.02910	9.4
163.03914	22.2
166.04961	6.2
167.03383	5.3
176.36978	3.9
177.01794	9.9
192.94606	4.1
195.02850	8.0
206.04506	9.0
206.07927	4.1
231.04939	8.1
249.06055	6.8
369.11710	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.05515	25.6
57.07062	16.1
66.88271	3.1
67.05502	50.9
69.03423	12.3
69.07056	28.2
71.04985	9.5
71.19483	5.3
71.19796	5.1
79.05486	34.5
81.07053	62.8
82.01044	3.3
83.04988	7.7
83.08616	10.2
85.06535	8.9
91.05476	69.7
93.07040	90.9
95.04957	46.4
95.08047	6.1
95.08606	64.7
97.06528	16.0
103.05468	4.8
105.07027	98.2
107.08593	72.6
109.06517	16.1
109.10153	47.8
111.08080	5.5
115.05462	7.1
117.07005	20.9
119.08566	100.0
121.06519	9.1
121.10140	50.9
123.08102	6.0
123.11732	20.2
128.06252	9.3
129.07002	24.4
130.07782	10.8
131.08565	60.9
133.10127	61.9
135.08015	18.3
135.11674	21.1
137.09660	9.0
141.06984	6.0
142.07742	24.9
143.08548	41.4
144.09315	13.4
145.10114	76.9
146.10863	3.8
147.08026	9.8
147.11681	26.4
149.09644	10.3
149.13263	9.5
151.11203	4.9
153.06993	4.0
155.08540	14.7
156.09375	18.9
157.10126	59.6
158.10889	8.0
159.11682	42.9
161.09610	47.7
161.13269	7.8
163.11241	4.5
165.07030	5.1
166.07886	5.0
167.08571	7.7
169.10147	23.8
170.10864	11.2
171.11690	31.9
173.09616	8.8
173.13239	30.9
175.11229	10.1
175.14818	21.0
179.08618	8.4
181.10141	9.6
182.10844	5.0
183.11700	22.6
184.12541	4.8
185.09604	4.0
185.13292	15.9
187.11226	6.1
187.14836	12.0
193.10139	4.3
194.10907	11.9
195.11696	15.7
196.12486	5.4
197.13155	20.8
198.17856	3.2
199.11266	3.5
199.14859	12.3
207.11665	5.0
209.13281	21.7
210.14049	5.9
211.14838	11.1
212.15450	3.9
213.12627	4.6
213.16415	6.5
221.13341	4.9
223.14778	7.2
225.16431	7.2
227.14331	14.4
235.14926	4.6
237.16306	4.2
239.17882	11.0
251.17868	7.0
255.17450	4.7
257.19110	5.9
265.19147	4.1
293.19037	4.2
349.25214	6.6
367.26251	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01870	20.8
55.05508	30.5
56.96555	16.1
57.03424	14.7
57.07074	6.9
60.51749	3.2
61.02917	4.5
65.03945	6.8
67.05502	75.6
69.03417	8.9
69.07070	40.6
69.85818	23.4
71.04992	9.6
73.87216	4.1
75.73154	3.9
79.05482	52.4
81.03429	6.8
81.07052	100.0
83.04961	13.2
83.08620	15.5
91.05472	43.2
93.07038	47.0
95.04972	25.3
95.08607	44.3
97.06545	20.2
97.10154	12.2
97.94081	3.3
99.08087	4.1
105.07014	38.1
107.04967	17.5
107.08595	41.0
109.06488	19.0
109.10143	28.7
109.54720	4.0
111.08083	8.0
117.07023	10.3
119.08568	35.5
121.06493	8.6
121.10159	20.8
123.08079	10.9
123.11723	11.1
125.09622	9.7
128.98547	4.1
129.07025	8.0
131.08551	26.5
133.10069	22.3
135.08049	10.6
135.11674	12.7
137.09604	5.6
143.08583	6.5
145.10124	18.0
146.99652	3.7
147.07997	5.7
147.11717	29.4
149.09639	27.3
149.13194	9.2
151.11211	7.2
157.10115	10.8
159.11688	17.7
161.13348	4.1
163.03859	4.0
163.11224	10.1
165.12820	6.1
169.10170	4.9
171.11636	6.9
173.13263	9.2
175.11166	5.6
177.12698	4.8
183.11606	3.9
197.13333	4.5
199.06505	4.5
210.43398	3.7
215.14346	3.8
217.07455	7.2
220.68524	3.7
229.07562	7.9
229.19569	5.0
231.09068	6.6
239.17917	5.2
247.08531	12.9
257.19046	10.5
275.20041	66.3
293.21179	9.6
349.16772	7.0
349.23654	11.1
367.17963	31.7
367.25015	20.0
385.18823	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.9
55.01871	25.7
55.05512	54.3
56.96566	19.2
57.03435	24.5
57.07069	4.7
57.52067	3.4
59.75203	3.4
60.04526	8.1
65.03933	4.8
65.52863	3.1
67.05504	95.1
69.03410	9.1
69.07060	48.9
69.31319	38.7
71.04977	12.5
77.08409	3.1
79.05494	74.6
80.04580	4.0
81.03409	11.6
81.07054	100.0
83.04971	24.3
83.08613	29.6
85.02887	5.2
85.06536	5.2
86.09697	15.3
91.05476	73.0
93.07039	67.3
95.04957	50.8
95.08601	55.1
97.00361	3.5
97.06492	20.3
97.10150	14.9
99.04465	8.3
99.08101	8.4
100.07619	4.8
100.77916	4.1
103.05534	3.7
105.07033	66.2
107.04944	19.6
107.08588	54.4
109.06506	24.5
109.10161	30.5
111.04446	17.5
111.08078	14.0
112.07581	10.0
113.05990	4.5
117.07013	27.1
119.04966	4.3
119.08583	46.6
121.06503	8.4
121.10129	33.7
123.08060	15.2
123.11714	6.4
125.09606	18.3
128.10733	13.2
128.98578	5.4
129.06999	4.3
131.08554	35.1
133.10106	26.0
135.08064	10.4
135.11693	20.3
137.09639	5.8
139.11182	6.4
143.08525	5.0
145.06529	4.8
145.10110	32.4
146.99663	4.7
147.11700	23.4
149.09630	32.8
149.13249	5.0
151.11203	5.3
155.08571	7.7
157.10139	9.0
159.11662	22.4
161.09637	4.1
161.13220	9.0
163.11145	22.8
165.12730	4.7
169.10211	4.5
171.11661	9.2
173.09464	4.3
173.13280	7.2
175.11124	4.9
177.12747	9.0
180.13922	5.8
181.12111	3.3
183.11610	5.9
189.11189	11.2
199.06384	8.1
205.12158	6.3
211.06293	4.4
217.07497	10.3
219.17422	12.1
223.13266	16.8
223.72482	3.8
229.07434	24.2
229.19530	5.6
239.17920	7.4
247.08577	34.9
247.20604	5.5
257.19006	18.5
261.10056	4.9
275.20032	79.9
291.19635	4.3
293.21164	9.9
308.22244	6.9
309.20544	8.5
331.15680	9.5
349.16827	10.3
349.23712	17.6
350.23563	5.7
367.17657	45.0
367.24844	14.6
368.24265	32.4
385.18906	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89005	2.8
53.03927	4.4
55.01875	17.9
55.05512	42.6
56.96553	5.0
57.03434	22.4
57.07068	4.1
59.68145	2.5
62.47388	2.6
63.16262	2.5
65.03954	2.8
67.05503	58.3
69.03423	10.0
69.07065	30.1
69.58345	23.7
71.04984	9.0
79.05067	4.4
79.05492	63.4
80.05840	2.7
81.03408	7.9
81.07057	100.0
83.04975	12.7
83.08628	15.9
85.06525	2.9
86.09677	3.4
91.04971	4.2
91.05485	53.6
93.07050	50.7
94.98599	3.1
95.04961	21.1
95.08607	43.3
96.08987	2.8
97.06522	22.1
97.10164	12.6
99.08073	4.0
101.41651	2.8
105.07035	49.6
107.04945	17.2
107.08598	43.8
109.06498	20.2
109.10152	26.4
111.04498	3.2
111.08076	4.8
117.06997	18.0
119.08583	30.3
121.06512	11.3
121.10159	18.9
123.04451	3.9
123.08058	8.9
123.11726	9.3
125.09608	13.7
128.06268	4.0
129.07019	7.2
131.08600	25.1
133.06474	3.5
133.10114	26.7
135.08063	7.1
135.11716	13.9
137.09593	5.9
141.06970	3.9
143.08583	6.7
145.06422	4.1
145.10104	27.8
147.08011	5.7
147.11693	22.9
149.05997	8.0
149.09625	27.6
149.13264	9.4
151.11191	5.4
155.08582	3.3
157.10143	5.4
159.08072	3.2
159.11650	20.0
161.13246	6.3
163.03783	3.4
163.11214	10.0
165.12744	10.6
169.10152	3.6
171.11684	7.8
173.11827	4.9
173.13274	10.7
174.93314	2.7
175.11230	2.9
177.12703	5.4
181.10136	3.4
183.11639	2.8
185.13319	4.1
187.14899	3.4
188.65715	2.9
189.11148	3.6
193.12257	4.3
201.09146	15.8
203.14278	3.0
213.08969	4.0
219.17432	7.9
227.12755	3.5
229.07472	3.9
239.18022	7.4
247.08510	4.9
247.20552	4.1
257.18991	10.4
275.20065	69.5
285.16962	5.3
293.20984	3.6
335.09006	4.0
341.83392	3.0
349.23685	22.3
367.11960	4.9
367.17020	4.4
367.20779	11.2
367.24887	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11769	2.0
54.09694	2.0
55.01868	6.3
55.05506	14.0
56.96553	5.9
57.03428	7.8
57.07058	2.5
67.05502	34.2
69.03413	3.2
69.07063	18.7
71.04993	2.3
71.06957	4.4
79.05125	2.4
79.05494	25.1
79.24477	1.9
81.03410	3.0
81.07048	39.1
82.88047	2.0
83.04989	5.5
83.08615	6.0
83.63330	2.3
85.06524	2.7
91.05473	29.3
92.71471	1.9
93.07043	33.9
95.04948	11.1
95.08611	22.7
97.06543	2.5
105.07031	27.7
107.04942	9.7
107.08595	21.4
109.06506	11.9
109.10145	9.5
115.05433	2.8
117.07030	12.6
119.08568	18.5
121.06514	13.0
121.10123	13.0
123.08054	7.2
123.11729	2.9
129.07002	4.9
131.08565	21.3
133.06474	4.4
133.10150	23.1
135.08034	7.0
135.11700	6.7
137.09607	4.1
139.11139	2.0
139.90836	1.9
141.06976	2.6
143.08554	5.3
143.66870	2.0
145.10094	17.8
147.08025	4.9
147.11661	15.9
149.09608	8.0
149.13269	3.5
151.11172	5.8
155.08527	3.0
157.10156	7.5
159.08018	2.5
159.11687	11.5
161.09628	4.6
161.13261	3.6
163.11180	6.9
169.10162	2.5
170.14893	2.0
171.11752	2.5
173.09552	2.8
173.13248	6.3
175.11148	3.2
177.12653	3.1
185.13219	2.5
187.11218	4.4
187.14856	2.4
189.12721	2.9
197.13168	2.5
201.12721	2.9
211.08923	1.8
215.78583	2.2
219.13766	3.4
229.19519	2.5
231.09090	2.4
239.18053	3.1
247.20651	5.0
257.19009	13.3
258.42615	2.6
275.20053	100.0
276.20404	5.5
293.20950	9.8
302.33548	2.2
326.91412	2.3
347.84677	2.1
349.16998	3.2
349.23743	25.6
367.17950	8.0
367.24142	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
55.01872	24.0
55.05511	41.6
56.96563	10.6
57.03436	22.6
65.03957	5.1
66.42294	3.2
67.05504	79.6
68.52348	3.2
69.03428	8.2
69.07070	43.3
71.04996	9.1
71.08630	14.7
71.57760	5.6
72.13356	2.9
79.05495	59.5
81.03426	11.1
81.07056	100.0
81.56615	3.5
83.04984	15.9
83.08623	14.7
85.06546	6.6
85.60859	3.3
91.05477	51.2
92.05788	3.5
92.84444	3.2
93.07034	49.0
95.04978	25.0
95.08601	55.3
95.91121	3.0
97.06512	21.6
97.10177	10.2
99.08079	6.4
105.07033	51.9
107.04945	22.2
107.08571	36.5
109.06523	14.5
109.10146	20.3
111.08054	6.1
111.63951	3.0
116.98482	4.1
117.07011	17.5
119.08581	36.7
121.06527	10.1
121.10155	26.2
123.04414	3.4
123.08047	8.5
123.11681	6.4
125.09682	5.1
128.98537	3.2
129.07016	12.1
130.86662	3.2
131.00023	4.6
131.08543	25.0
133.10133	30.6
135.08075	7.8
135.11699	11.3
137.09666	4.0
140.04538	3.1
143.08560	9.0
145.10114	15.5
146.99545	4.3
147.11682	19.9
149.09624	12.9
149.13271	7.1
151.11180	7.8
153.99297	3.3
155.08600	7.0
157.10126	7.8
159.11690	14.4
161.01109	3.7
161.13228	6.0
163.07571	12.3
163.11218	10.9
165.12778	5.6
167.07095	7.7
167.08530	6.1
169.01654	3.7
169.10176	9.0
171.08070	3.7
171.11650	6.3
173.13268	9.5
174.99026	5.4
177.12743	3.6
183.11723	5.0
185.01042	3.7
187.14789	3.6
189.00581	8.9
195.08142	5.1
197.13315	5.8
199.02625	4.8
201.12694	3.6
203.07066	9.1
209.09491	4.2
211.11287	3.6
223.11041	3.7
229.07533	14.0
231.08946	4.6
239.18013	4.5
247.08539	10.7
247.20590	8.5
257.18875	5.0
269.10449	4.1
270.07639	7.0
275.17276	6.1
275.20038	52.8
279.12192	4.0
287.11826	4.7
293.21024	42.0
312.08792	4.5
347.11459	4.2
349.13120	10.5
349.17252	6.5
349.21127	6.7
349.24075	4.8
354.63046	3.6
367.17795	12.4
367.23056	24.6
385.18771	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01878	17.4
55.05266	2.1
55.05512	28.3
56.96549	4.6
57.03437	10.4
57.07062	2.8
60.04509	2.6
65.03928	4.2
65.90493	1.8
67.05180	3.3
67.05505	51.8
68.05794	1.9
69.03408	4.7
69.07066	32.3
70.71510	2.0
70.71853	5.4
71.05005	6.1
74.93322	1.6
79.05066	3.0
79.05495	46.6
81.03419	4.9
81.07053	53.4
83.04984	14.6
83.08614	14.0
84.08128	2.0
85.02903	2.4
85.06563	2.1
89.16475	1.7
91.05477	39.7
92.67066	2.1
93.06476	3.0
93.07043	44.6
95.04963	23.9
95.08607	33.5
97.06513	19.8
97.10169	9.2
99.04440	5.5
99.08062	2.9
105.07020	38.7
107.04964	13.1
107.08589	35.9
109.06509	13.6
109.10151	19.5
111.04428	5.7
111.08057	6.4
112.07588	2.6
116.01647	1.8
117.07012	10.6
119.08584	20.8
121.06547	11.1
121.10147	14.3
121.51382	1.7
123.08074	7.7
123.11700	4.8
125.09635	10.5
128.10709	2.7
129.06998	4.2
131.08559	23.3
133.06482	2.4
133.10127	25.3
135.08011	6.3
135.11700	11.3
137.09619	5.1
139.11137	2.1
143.08504	4.3
145.06516	1.9
145.10118	27.1
147.07997	4.1
147.11652	12.0
148.88686	1.8
149.05930	9.0
149.09625	21.8
149.13232	5.6
151.11157	5.5
153.09116	2.6
155.08574	3.9
157.10106	6.6
159.11673	10.3
161.09686	3.6
161.13246	5.8
163.11203	14.2
165.12730	2.9
169.10132	2.8
171.10132	3.1
171.11656	3.3
173.09717	2.2
173.13261	8.6
175.11151	3.6
177.12686	2.9
183.11766	3.3
187.11131	2.7
187.14835	3.3
189.11270	8.9
191.14188	2.8
197.13281	3.7
205.12262	2.8
215.17967	2.7
223.13287	8.4
227.12769	2.2
229.19566	3.5
237.32207	1.8
239.17873	5.0
247.08560	4.0
247.20583	6.1
251.20062	3.3
257.19040	12.5
275.20065	100.0
276.20432	3.8
293.21136	11.8
294.00397	2.0
341.00293	1.7
349.23712	25.4
355.37943	2.0
367.24808	20.9
368.24475	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01864	4.6
55.05515	15.1
56.02306	1.4
56.86018	1.5
57.03441	6.3
57.07067	1.6
61.02925	4.3
67.05500	20.3
69.03413	3.4
69.07069	25.8
69.25430	14.0
69.25849	3.9
71.04996	2.5
71.08633	19.4
72.47762	1.4
79.05496	23.2
80.42252	1.4
81.07066	19.5
83.04981	3.5
83.08623	4.6
85.02907	3.3
85.06567	1.6
91.03949	1.9
91.05484	15.3
93.07050	14.9
95.04995	8.5
95.08613	13.5
97.02917	3.2
97.06521	2.2
97.10169	4.0
99.08087	15.6
100.07643	2.0
103.05477	8.1
105.07040	32.1
105.63499	1.4
107.04973	5.2
107.08598	11.4
109.06549	4.4
109.10149	5.3
111.08097	2.2
114.85163	1.5
115.05434	4.0
117.07019	5.6
119.08582	6.7
121.06541	5.0
121.10178	5.3
123.04466	4.1
123.08058	3.1
123.11690	2.9
125.09644	4.4
128.06224	2.4
129.06993	3.5
131.04947	4.2
131.07074	1.9
131.08575	5.1
133.06491	12.7
133.10138	5.3
135.04437	3.0
135.08075	4.9
135.11731	3.6
137.06024	3.7
141.06981	4.2
143.08562	4.0
145.06502	3.4
145.10167	4.0
147.04491	2.3
147.11705	1.8
148.05302	1.7
149.05974	15.2
149.09636	2.0
150.63579	1.7
151.07549	7.1
159.08067	2.8
159.11700	1.8
161.06042	9.1
161.09561	3.0
163.07550	100.0
164.07918	1.9
165.09149	3.1
167.10695	3.1
175.07570	4.4
177.09116	4.0
185.13252	1.8
189.09157	3.3
190.09859	2.9
191.10693	15.4
217.12248	5.0
219.17470	12.7
247.20685	2.0
275.20004	9.8
279.10034	3.0
293.21106	69.7
294.21478	2.6
297.11328	2.5
298.11868	1.9
305.20908	2.2
311.12839	6.0
335.16150	2.1
349.23618	2.7
350.26782	2.4
367.19061	66.3
367.24728	23.0
368.19373	6.3
368.25394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01857	4.9
55.05508	22.0
56.96551	3.0
57.03415	4.9
57.07055	3.9
67.05505	30.7
67.22789	1.7
69.03412	3.3
69.07061	18.2
71.04986	3.7
71.08620	5.6
71.58086	3.4
71.58448	1.8
79.05483	26.9
81.03437	2.5
81.07046	34.0
82.07369	1.9
83.04984	12.2
83.08605	7.8
85.06505	2.1
91.04958	2.8
91.05477	24.6
91.58895	1.6
93.07041	33.6
95.04958	10.6
95.08598	21.6
97.06525	5.5
97.10158	4.9
99.08093	6.4
105.07024	37.5
107.04951	7.1
107.08578	20.8
109.06470	10.3
109.10149	11.4
117.07037	8.9
119.08550	20.0
121.06506	12.1
121.10146	11.8
123.08061	6.8
123.11707	4.3
125.09632	5.2
129.06960	4.1
131.00035	2.1
131.08565	21.5
133.06482	5.0
133.10121	19.2
135.08029	8.9
135.11649	5.1
137.09604	3.5
139.11157	2.1
140.98453	3.9
143.08565	5.9
145.10114	13.9
146.99438	2.1
147.08031	3.3
147.11682	13.9
149.09587	8.7
149.13248	4.8
151.11183	6.1
155.08536	2.2
157.10109	4.9
159.08070	2.2
159.11690	9.0
161.09618	5.5
161.13252	3.2
163.11201	4.5
165.12718	2.1
169.10144	1.7
171.11711	4.6
173.09727	2.2
173.13272	5.8
174.99086	2.8
175.11163	5.2
177.12717	3.2
183.03122	2.3
183.11766	3.5
187.11058	2.8
187.14816	2.1
189.00517	2.8
189.11191	3.2
197.13278	3.7
199.14972	1.8
201.12746	2.4
207.13777	3.4
208.56250	2.0
215.14256	1.9
219.13643	2.2
229.03732	1.9
229.19577	1.8
239.17987	2.1
247.20450	3.7
257.18951	18.8
275.20038	100.0
276.20416	5.1
282.17130	2.9
293.21106	20.4
349.23721	23.3
350.24100	2.0
357.54160	2.0
367.24670	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55669	2.5
51.34601	2.5
53.03937	4.8
55.01866	19.3
55.05514	41.3
56.96557	3.9
57.03443	25.0
57.07063	3.1
60.04543	2.5
65.03941	4.5
67.05507	75.3
69.03413	9.3
69.07066	45.4
70.33071	10.7
71.04991	8.0
79.05496	73.4
81.03411	6.9
81.07056	100.0
83.04971	14.8
83.08604	17.6
85.06536	3.2
91.05477	53.4
93.07043	57.9
95.04959	20.8
95.08607	49.5
97.06541	21.2
97.10164	12.0
98.21429	2.9
99.08094	5.5
105.07030	57.0
107.04963	12.2
107.08589	53.3
109.06533	12.0
109.10143	28.5
111.08075	6.5
117.06996	14.9
119.08582	42.9
121.06506	8.6
121.10143	20.8
123.08083	10.8
123.11700	9.4
125.02390	3.2
125.09641	12.8
126.26556	2.7
129.07008	7.7
131.08560	22.3
133.10139	28.6
135.08061	8.7
135.11664	13.4
137.09605	9.4
139.79718	2.6
141.07001	5.0
141.72237	2.9
143.08560	8.5
145.06517	3.6
145.10124	22.2
147.08109	3.5
147.11700	24.2
149.09593	17.9
149.13254	8.5
151.11172	6.8
154.12296	3.9
155.08594	6.2
157.06525	3.4
157.10205	7.2
158.02145	2.8
159.11688	13.6
161.09587	3.4
161.13239	7.2
163.03883	5.9
163.11179	8.1
163.14923	3.3
165.12769	6.3
169.10072	6.0
171.10277	5.4
171.11708	6.7
173.13246	9.4
175.11150	3.9
177.12753	6.2
181.06454	3.9
183.11668	5.0
185.09703	3.6
185.13254	5.1
187.03990	4.7
189.11165	3.7
199.03867	4.2
201.12933	2.9
213.05510	4.4
227.12843	4.0
229.07805	3.4
229.19493	8.0
233.18999	3.3
239.17918	5.8
241.08513	5.6
247.20638	7.3
248.32822	3.1
251.20151	7.8
255.10158	15.7
257.19009	10.8
260.54269	3.3
275.20081	56.1
293.21375	5.7
349.23727	13.9
367.18729	12.6
367.24585	17.4
368.23947	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01864	4.6
55.05515	15.1
56.02306	1.4
56.86018	1.5
57.03441	6.3
57.07067	1.6
61.02925	4.3
67.05500	20.3
69.03413	3.4
69.07069	25.8
69.25430	14.0
69.25849	3.9
71.04996	2.5
71.08633	19.4
72.47762	1.4
79.05496	23.2
80.42252	1.4
81.07066	19.5
83.04981	3.5
83.08623	4.6
85.02907	3.3
85.06567	1.6
91.03949	1.9
91.05484	15.3
93.07050	14.9
95.04995	8.5
95.08613	13.5
97.02917	3.2
97.06521	2.2
97.10169	4.0
99.08087	15.6
100.07643	2.0
103.05477	8.1
105.07040	32.1
105.63499	1.4
107.04973	5.2
107.08598	11.4
109.06549	4.4
109.10149	5.3
111.08097	2.2
114.85163	1.5
115.05434	4.0
117.07019	5.6
119.08582	6.7
121.06541	5.0
121.10178	5.3
123.04466	4.1
123.08058	3.1
123.11690	2.9
125.09644	4.4
128.06224	2.4
129.06993	3.5
131.04947	4.2
131.07074	1.9
131.08575	5.1
133.06491	12.7
133.10138	5.3
135.04437	3.0
135.08075	4.9
135.11731	3.6
137.06024	3.7
141.06981	4.2
143.08562	4.0
145.06502	3.4
145.10167	4.0
147.04491	2.3
147.11705	1.8
148.05302	1.7
149.05974	15.2
149.09636	2.0
150.63579	1.7
151.07549	7.1
159.08067	2.8
159.11700	1.8
161.06042	9.1
161.09561	3.0
163.07550	100.0
164.07918	1.9
165.09149	3.1
167.10695	3.1
175.07570	4.4
177.09116	4.0
185.13252	1.8
189.09157	3.3
190.09859	2.9
191.10693	15.4
217.12248	5.0
219.17470	12.7
247.20685	2.0
275.20004	9.8
279.10034	3.0
293.21106	69.7
294.21478	2.6
297.11328	2.5
298.11868	1.9
305.20908	2.2
311.12839	6.0
335.16150	2.1
349.23618	2.7
350.26782	2.4
367.19061	66.3
367.24728	23.0
368.19373	6.3
368.25394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.188
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
52.88968	0.5
53.03935	0.8
55.01857	1.6
55.05506	3.5
56.96563	39.6
57.03416	2.3
57.07057	1.0
67.05502	6.4
68.37511	0.5
69.03417	1.2
69.07061	4.0
70.06545	0.7
70.86288	0.5
71.04966	1.3
71.38348	0.8
71.95267	4.3
72.96033	1.2
74.97594	1.4
75.47922	0.6
79.05487	10.0
81.03403	0.9
81.06591	1.0
81.07050	16.2
83.04954	1.5
83.08603	1.6
84.96017	1.1
85.06524	0.9
91.05473	5.3
93.07037	5.3
95.04935	2.0
95.08600	4.9
97.06528	1.3
97.10136	0.8
97.96816	1.3
98.96432	0.5
98.97572	0.9
99.08047	0.6
105.07026	4.9
107.04940	1.5
107.08598	5.5
109.06493	2.4
109.10152	2.8
110.09651	0.5
110.97573	2.2
115.00635	0.8
115.97793	0.9
116.98571	1.3
117.07011	1.9
117.94698	0.6
119.08562	4.2
121.06499	0.8
121.10146	2.7
123.01187	1.3
123.08031	0.9
123.11674	1.2
125.09592	0.8
128.98604	5.8
129.06973	0.7
131.07031	0.9
131.08531	2.1
133.01723	1.0
133.10101	3.0
134.99664	1.2
135.08038	1.1
135.11694	1.4
137.02690	1.3
137.09573	1.0
139.07436	0.6
141.02185	0.7
143.08537	1.2
145.10123	3.2
146.99635	7.3
147.11642	2.5
148.00414	1.0
149.09572	2.2
149.13235	0.9
151.11215	1.3
153.06972	0.7
155.00076	0.8
155.03770	2.7
155.08498	0.7
157.01738	1.4
157.10095	0.7
159.03229	0.9
159.11690	1.7
160.00378	0.7
161.01234	1.3
161.13249	0.7
163.07507	0.6
163.11156	1.0
165.00652	1.9
165.12688	0.7
169.01657	0.9
169.05290	1.2
169.10092	0.8
171.03250	1.6
171.08040	0.6
173.01237	1.2
173.04802	1.7
173.05948	1.1
173.13226	0.8
175.02777	0.7
175.11121	0.8
177.04335	1.3
179.02243	1.3
181.03824	0.6
181.05254	1.3
183.03319	0.8
185.04832	1.6
185.13234	1.3
187.06367	0.9
187.14862	0.8
189.04359	3.3
191.05888	1.7
191.14192	0.7
195.06761	1.3
199.06352	5.3
201.04208	1.1
201.07932	1.9
203.05898	4.5
203.09386	0.7
205.07462	2.3
207.06944	0.8
211.06419	2.0
213.05675	1.2
213.07980	7.7
215.02219	0.7
215.05734	0.9
217.07455	11.0
219.09024	2.5
219.17427	2.6
223.02814	1.2
223.08472	2.1
225.07935	3.7
227.05626	0.9
227.09389	0.8
229.07434	19.2
231.09039	16.2
235.08427	0.7
236.09622	0.7
237.04288	1.1
237.08014	2.2
239.07381	0.9
239.09492	3.4
240.09067	0.8
241.04913	1.0
241.07256	0.7
241.11122	3.1
243.06572	1.3
243.08929	6.2
245.06894	1.0
245.10886	0.9
247.08524	22.8
248.08746	0.7
251.09555	5.1
252.09029	2.0
253.11221	1.5
254.10715	1.2
255.06374	2.0
255.08984	7.5
257.06891	1.3
257.10596	3.6
257.18988	0.9
258.07697	0.8
259.12152	6.9
261.10056	2.0
264.12582	1.0
267.09030	0.7
269.10587	30.6
270.10483	1.0
271.12045	1.6
273.10016	5.1
275.20096	6.1
278.10620	0.7
279.08954	1.8
280.09747	1.8
285.10135	1.0
287.11639	20.4
290.38800	0.6
292.12247	3.3
297.10049	4.0
298.10800	1.0
307.15845	1.1
310.13254	1.0
313.14682	1.1
315.11075	2.5
331.12045	0.8
331.15793	12.5
339.15848	0.8
349.16849	21.9
349.23691	2.3
350.17212	0.9
367.17850	100.0
368.18222	4.5
372.18408	2.5
385.18976	23.5
386.19568	1.0
390.19580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
55.01863	2.0
55.05513	7.5
56.96564	37.1
57.03433	6.4
57.07080	1.6
67.05234	1.1
67.05505	13.9
69.03436	2.2
69.07065	6.0
71.04993	1.4
71.58298	1.7
71.95246	4.0
72.96036	1.0
74.97650	1.2
76.24937	1.0
78.88265	1.1
79.05492	14.7
81.03416	2.0
81.07059	22.0
83.04967	3.3
83.08613	2.8
85.02903	2.5
85.06551	1.7
91.05472	11.7
93.07047	13.2
95.04970	4.8
95.08619	11.4
97.02891	2.5
97.06523	3.8
97.10169	2.8
97.96838	1.2
98.97585	1.8
99.04466	1.7
105.07023	11.1
107.04929	1.1
107.08590	11.5
107.87394	1.1
108.06573	1.0
109.06496	3.1
109.10158	6.8
109.69509	1.2
110.60432	1.0
110.90862	1.3
110.97574	2.0
111.04475	2.3
111.08057	1.9
117.06988	3.9
119.08576	5.5
121.06456	1.8
121.10136	5.0
123.01162	1.4
123.08058	2.0
123.11710	2.2
128.98622	5.8
129.06993	1.7
131.08566	4.6
133.10129	4.2
135.08038	2.2
135.11650	2.2
137.02768	1.4
137.09657	1.8
141.02238	1.6
143.08537	2.4
145.10115	3.5
146.99677	7.5
147.08083	1.1
147.11658	2.9
149.09607	4.7
149.13310	1.8
151.11163	1.3
153.06929	1.1
155.03827	2.5
155.08481	1.2
157.10159	1.5
159.03256	1.4
159.11688	2.1
161.01222	1.6
161.13235	2.1
163.07576	1.4
163.11229	2.5
165.00754	1.8
169.01768	1.3
169.05276	1.4
171.03250	1.9
173.04768	1.9
173.06064	2.2
173.13298	2.6
185.13251	1.7
189.04282	2.7
191.05927	1.4
199.06339	6.5
201.07837	2.5
203.05893	4.6
207.13736	1.4
211.06503	3.4
211.14792	1.1
213.05499	3.3
213.07980	5.9
217.07471	13.9
219.09093	3.1
219.17445	2.1
223.08429	1.6
223.13197	1.2
225.07959	2.7
229.07465	27.2
231.09013	12.9
237.04385	1.4
237.07884	1.4
239.09563	3.1
241.11053	2.4
243.06654	2.6
243.09058	6.8
247.08540	36.2
251.09509	4.2
252.09030	1.7
255.06567	2.5
255.09085	5.6
257.10449	1.6
257.18994	2.4
259.12213	5.1
261.10223	1.9
263.09818	1.3
269.10623	24.3
270.10306	2.4
273.10089	5.1
275.20023	8.6
276.08752	1.8
279.09146	2.0
280.09921	1.8
287.11630	14.4
292.12231	2.0
293.21124	1.2
297.10077	2.8
298.10883	2.4
313.14706	2.5
315.11136	3.0
331.15836	9.9
349.16806	17.4
349.23557	2.1
367.17886	100.0
367.25259	2.7
368.18210	3.5
372.18381	1.4
385.18954	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70066	1.7
55.01855	6.7
55.05502	4.2
56.96553	6.7
57.03424	6.8
58.37174	1.8
61.02925	2.9
64.19253	1.9
67.05495	10.4
69.03419	8.3
69.07050	6.5
70.06601	12.0
71.04971	6.3
71.57097	2.5
72.08144	3.6
79.05475	8.5
81.03394	6.5
81.07048	9.4
83.04956	3.0
84.08131	5.8
85.02914	10.1
85.06570	4.5
86.09695	3.8
89.03944	4.7
91.05477	10.4
92.24369	2.0
93.07024	10.0
94.06511	2.1
95.01325	37.5
95.04951	5.8
95.08589	5.3
97.02870	3.4
97.06521	7.7
98.97543	2.1
103.05461	8.1
105.07024	17.3
107.04951	6.0
107.08611	6.7
109.06550	2.7
109.10134	2.5
111.08122	2.5
112.07575	2.1
113.02358	11.6
115.05462	8.1
115.07565	7.0
117.03332	4.9
117.06996	10.1
119.04913	4.7
119.08591	4.7
120.08062	9.7
121.06480	2.5
121.08452	5.4
122.06038	4.7
123.04419	5.4
128.06223	10.0
129.06944	6.5
129.10239	3.0
131.04948	15.3
131.08560	3.4
132.05626	2.3
133.06497	15.5
133.10153	2.7
134.99626	4.4
135.04448	10.6
135.11687	2.4
137.05991	2.6
137.09561	2.3
141.07004	3.5
141.08987	2.1
143.08549	3.9
144.05659	4.6
145.02852	4.5
145.06467	11.8
145.10136	3.5
147.04390	7.1
147.08076	4.3
147.09167	16.5
148.05202	3.1
153.06969	4.9
157.06496	3.6
159.04451	3.6
159.07986	2.9
159.11732	2.0
160.05205	4.3
161.01210	5.4
161.05986	18.6
162.03172	3.1
163.03889	30.6
164.07088	2.2
165.05428	4.9
167.07056	21.9
169.06468	2.8
171.08058	11.6
172.05228	3.5
173.05975	9.2
174.06700	2.3
174.50984	2.1
175.03793	2.6
175.07549	3.8
176.04724	4.8
177.05467	6.6
178.06360	2.5
179.03409	6.8
179.07039	2.9
180.04123	2.2
181.06502	6.9
182.08110	2.8
184.05188	5.8
185.05983	3.9
187.03931	3.0
187.12373	2.3
187.66628	1.8
189.00665	2.2
189.09090	2.1
190.06224	4.1
191.07062	12.2
192.07834	3.8
193.08598	23.9
194.05759	7.1
197.05965	4.1
198.07602	2.1
199.07512	14.0
201.05496	5.6
203.07004	2.8
205.04802	2.2
205.08466	9.8
206.07872	2.9
207.06514	7.6
209.06245	2.5
209.08041	12.2
212.04677	5.0
213.05577	4.2
215.06961	4.5
217.04922	2.6
217.08582	6.2
218.05676	2.2
219.06497	3.8
221.08047	2.4
227.07031	18.1
231.06497	2.7
231.10057	4.0
233.06049	2.1
233.07939	10.2
237.00703	2.5
237.02873	5.4
237.07681	2.8
244.07259	3.2
245.04532	4.3
245.08076	4.5
249.07454	3.0
251.09117	3.6
259.09744	6.6
260.06589	2.5
261.07611	7.8
263.09384	2.1
263.13898	2.8
265.01373	1.9
271.10693	7.4
277.10800	3.7
279.08655	3.4
281.15042	22.7
295.22592	2.9
299.10229	3.8
305.10107	12.0
317.11200	4.0
323.11252	100.0
324.11536	4.7
335.12195	5.5
339.11172	2.2
350.13226	2.7
367.09818	4.5
367.13754	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54508	3.6
57.69250	3.6
65.12495	3.8
65.60522	3.0
67.03804	3.3
70.02353	19.7
70.02659	4.2
72.62365	3.3
77.43318	4.3
79.34537	4.5
87.51329	4.6
102.26041	3.6
104.73050	3.5
205.05615	4.6
247.04672	5.1
271.79266	3.6
367.10089	100.0
383.33072	4.5
392.03622	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.3
55.01857	8.0
55.05498	2.9
56.52326	2.4
56.96561	8.5
57.03434	8.3
67.05508	7.8
69.03415	8.0
69.07062	4.8
70.06575	9.4
70.89973	3.7
70.90317	5.1
71.04994	7.2
73.02911	2.2
74.80658	2.1
79.05499	9.3
81.03413	7.2
81.07053	6.5
83.05002	2.6
85.02898	11.9
85.06539	5.2
86.09702	4.2
89.03924	4.4
91.05473	10.5
93.07053	7.6
95.01322	34.7
95.04960	2.8
95.08597	4.5
96.05911	2.4
97.02888	3.5
97.06502	4.5
103.05448	6.0
105.07031	16.3
107.04962	5.3
107.08606	3.3
109.02905	3.5
109.10159	3.7
113.02384	11.8
115.05460	11.4
117.03400	4.5
117.07033	6.9
119.08575	5.5
120.05743	2.3
120.08114	4.2
121.10152	4.2
122.06022	2.6
123.04427	5.4
127.03893	4.9
128.06213	6.4
128.98596	2.8
129.06992	3.8
131.04933	15.2
131.08575	2.7
133.06490	9.5
133.10155	3.6
134.03592	3.3
135.04413	9.6
138.05508	3.0
141.06976	6.2
143.00168	3.3
143.04938	3.9
143.08571	6.0
144.05695	2.5
145.02870	6.5
145.06496	10.8
146.05943	2.4
147.04416	6.2
147.08067	3.7
147.09151	27.1
148.05135	5.0
153.05464	2.9
153.07011	3.7
156.05711	3.4
157.06471	4.9
159.04457	3.5
159.08041	3.4
161.01212	3.4
161.05992	12.6
162.03114	2.8
163.03894	29.2
164.04237	3.1
165.05511	3.5
167.07036	21.1
169.06483	4.7
171.08038	7.6
172.05165	4.2
173.06000	9.0
175.07472	4.3
176.04721	5.5
177.05435	7.1
179.03378	9.9
181.06378	4.0
181.08641	2.4
183.70538	2.2
184.05209	3.9
185.06006	4.2
187.07526	6.7
189.00861	3.0
189.05428	3.0
190.06256	3.5
191.07022	12.7
193.04909	2.7
193.08595	26.8
197.05956	3.6
198.06725	5.6
199.07549	13.1
199.14703	2.6
201.05408	4.8
203.07040	2.7
205.04871	2.6
205.08597	11.9
207.06450	5.0
209.08138	11.8
212.04753	3.7
213.05522	4.0
218.05693	3.9
219.06439	4.1
221.08191	4.9
227.06917	13.0
231.10207	6.5
233.08092	10.0
237.02849	7.4
237.07603	2.9
241.05110	2.9
243.06425	2.7
244.07324	4.9
245.08228	3.4
251.09213	4.4
253.00223	2.7
259.09662	7.4
261.07596	7.4
263.09158	3.5
271.10831	6.6
277.10687	4.6
277.21689	3.0
281.14981	32.7
287.09094	2.8
305.10083	17.0
317.11130	3.8
323.11267	100.0
324.11584	4.7
324.15411	2.9
335.12347	6.0
339.10809	4.0
349.27713	3.9
350.13257	7.9
367.09915	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05499	3.0
55.26467	0.8
56.05026	3.2
57.03423	1.9
60.04525	100.0
64.48903	0.8
67.05502	12.1
68.05032	1.4
69.03426	2.2
69.07069	4.6
70.06594	4.3
71.04995	1.2
71.24260	2.0
72.04506	1.6
74.06081	2.1
79.05500	9.8
80.05019	1.9
81.03418	1.7
81.07051	15.7
82.06570	1.9
83.04987	0.9
83.08591	1.8
84.04498	1.2
84.08135	0.9
85.02901	2.3
85.06545	2.7
86.06057	1.6
86.81621	0.8
90.05552	1.8
91.05476	8.2
91.46935	0.8
93.07033	9.1
93.36151	0.8
94.06566	1.7
95.04940	1.9
95.08603	12.7
95.39216	0.9
96.08145	2.0
97.06529	1.7
97.10177	1.1
98.06028	1.4
98.97561	1.0
99.08057	1.2
100.26649	0.8
102.05546	1.4
105.07015	5.7
107.08589	6.9
108.08108	1.2
109.06516	1.0
109.10122	5.9
111.08111	0.9
112.07553	0.9
116.07072	2.1
117.06998	1.4
119.08604	5.2
120.08124	1.8
121.10145	8.3
122.02372	1.7
123.11682	2.4
124.07580	1.3
131.08562	3.3
133.10129	3.9
135.11697	4.7
136.07549	5.4
136.11316	0.8
138.52562	1.1
145.10049	1.9
146.85429	0.8
147.04433	1.0
147.09103	1.3
147.11673	3.0
149.13365	0.9
151.11211	1.1
159.11684	1.6
161.13326	1.6
169.12277	1.8
175.14842	1.1
196.06035	1.1
197.06293	1.1
204.15816	1.0
205.08580	3.2
207.07645	3.1
207.11340	2.1
208.67624	0.9
217.19601	1.4
276.23230	4.0
281.14929	2.7
294.24280	8.1
305.49213	1.0
312.25348	14.9
323.12488	1.2
330.26337	28.2
330.30252	1.7
331.26666	1.2
341.04556	0.9
348.27432	38.0
349.27835	1.9
366.12958	2.5
366.28476	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
55.01864	7.5
57.03432	6.3
60.04513	5.1
61.02927	5.5
67.05513	2.2
69.03428	43.6
69.75013	14.1
71.04988	4.4
73.02917	7.4
78.04523	2.3
79.67324	2.1
81.03406	25.4
81.07036	3.7
85.02899	100.0
86.09672	2.9
87.00825	46.8
91.05479	4.0
97.02887	27.3
99.04440	13.7
105.01859	89.2
107.08578	2.1
109.02876	32.6
110.07155	2.3
111.46951	2.0
112.64407	2.1
117.01835	2.8
121.06503	6.0
127.03912	74.4
129.01843	2.2
136.07639	2.9
137.16597	2.3
145.04955	31.7
147.04396	2.3
158.06850	2.2
159.02940	11.7
189.03908	6.0
204.08627	2.5
213.03940	3.1
231.04935	19.8
249.06110	5.8
253.24469	2.3
339.08588	3.2
366.22629	6.6
367.08133	3.4
385.42862	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01862	0.6
55.05494	1.5
57.07066	4.5
67.05495	1.9
69.03467	0.5
69.07074	1.6
70.05104	2.8
77.84723	0.5
79.05492	1.4
81.07050	2.5
83.08617	0.8
85.06541	2.5
91.05461	2.1
93.07051	1.8
95.04981	1.2
95.08610	2.2
105.07047	1.3
107.08595	1.6
109.06509	3.0
109.10139	1.1
117.07019	0.9
119.08600	1.7
121.10143	0.9
123.08064	3.5
124.08855	1.4
131.08586	0.6
131.53641	0.5
133.10089	1.3
135.08052	1.2
135.11696	0.6
137.09625	0.7
142.07774	0.7
143.08565	1.0
145.10162	1.0
145.97774	0.5
147.11678	0.6
151.07497	3.8
152.08328	7.1
155.08499	0.5
156.09377	0.6
157.10109	1.3
159.11702	1.3
161.09639	0.9
161.13362	0.6
165.09122	11.1
165.12675	0.6
166.09842	0.7
169.10229	0.6
170.10670	0.5
171.11630	0.6
177.12779	0.7
179.10695	2.3
181.12212	0.6
194.13011	4.3
197.13239	0.7
207.11745	0.5
207.13803	1.8
209.13332	0.6
235.16940	0.8
241.28142	0.5
249.18712	0.8
253.68640	0.6
258.39828	0.6
263.20050	3.4
276.35229	0.5
277.21732	0.6
308.84912	0.5
319.26373	1.0
347.25851	19.1
348.26315	1.0
365.26880	100.0
366.27164	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
53.07946	0.5
55.01865	1.1
55.05495	1.9
57.07058	1.2
67.05503	3.5
69.07068	3.2
69.90025	0.5
70.83890	1.2
70.84230	0.8
71.08612	0.6
79.05505	2.4
79.16783	0.4
81.07059	4.0
83.08585	1.2
85.06566	1.1
91.05473	1.9
93.07040	2.0
95.08601	3.5
97.06534	0.6
99.08074	0.5
105.07014	1.7
106.63319	0.6
107.08580	2.6
109.06512	2.3
109.10152	1.2
111.04469	1.1
119.08581	0.9
121.10146	0.8
123.08064	6.3
124.08821	1.0
125.05993	0.7
129.06938	0.6
133.10141	1.4
135.08040	1.3
135.11716	1.1
137.05966	1.2
137.09613	0.7
139.07581	0.9
143.08630	0.5
145.10135	1.4
147.11714	1.2
149.09627	0.9
151.07552	4.4
151.11195	0.8
152.08328	3.9
163.11195	0.5
163.18900	0.5
164.08347	1.0
165.09108	17.9
165.12688	1.0
166.09895	1.2
177.09116	0.9
177.12733	0.7
179.10710	3.0
179.14366	1.1
181.12210	0.7
191.10681	0.9
193.12212	1.4
195.13823	0.6
208.14616	2.0
221.15376	2.6
235.16913	0.7
249.18529	1.3
273.18616	0.6
291.19678	0.6
305.24808	2.7
319.26355	5.3
347.25800	52.7
348.26230	3.1
360.08072	0.6
365.26862	100.0
366.27258	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01870	10.9
55.05513	38.2
57.03453	9.5
60.45226	6.8
61.02906	8.6
67.05505	63.3
69.03429	10.8
69.07063	32.5
69.98000	23.1
69.98412	14.8
71.69765	6.5
72.71703	7.0
79.05497	66.7
81.07057	58.8
83.04997	10.2
84.04509	12.7
85.02882	9.8
91.03811	6.4
91.05489	63.3
93.07041	82.1
95.04965	43.6
95.08599	50.8
97.06518	13.6
98.21405	9.0
105.07043	87.5
107.04927	8.7
107.08598	63.2
107.20289	7.5
109.06517	22.4
109.10175	35.4
117.07003	25.5
119.08582	63.5
121.06487	8.2
121.10134	56.1
123.08044	9.2
123.11618	8.2
125.09626	7.9
128.06192	13.2
129.07002	19.7
131.08554	49.2
133.10120	28.5
135.08066	17.9
135.11693	16.1
137.09560	7.2
137.13223	7.0
141.06987	12.4
142.07776	12.3
143.08565	39.5
145.10107	43.5
145.68341	7.9
147.08022	8.4
147.11696	26.8
149.05945	8.6
149.09654	22.2
149.17342	8.2
155.08528	17.3
157.10104	40.6
158.11008	8.7
159.11690	29.7
161.09579	10.8
161.13264	15.8
163.98882	8.8
166.07793	9.6
168.09314	10.0
169.10121	24.2
170.10947	8.5
171.11658	18.0
173.09676	16.1
173.13251	36.2
175.11159	11.0
175.14757	9.4
179.08559	10.5
181.10147	17.6
182.11017	8.4
183.11679	26.1
185.13254	20.6
191.14330	25.3
192.09285	7.9
193.10143	14.7
195.11670	21.5
197.13275	21.0
199.11255	8.6
199.14792	8.3
207.11684	21.7
209.13249	13.9
211.11279	10.4
211.14857	13.7
219.11781	13.1
220.12395	7.4
221.13254	24.1
225.12694	10.6
233.13013	9.4
239.17836	7.5
248.15570	7.6
249.16437	10.5
251.17862	10.2
263.17886	12.2
267.17630	11.4
329.22443	7.8
337.25348	9.1
347.23770	30.9
365.10223	8.1
365.24777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2315
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03941	3.3
55.01868	6.0
55.05514	15.4
56.96568	15.3
57.03441	7.8
65.03923	1.4
66.11400	1.2
67.05508	25.7
69.03425	4.5
69.07059	11.7
69.52296	10.7
71.04996	1.5
71.95247	1.8
78.92930	1.3
79.05493	18.9
81.03414	4.6
81.07057	24.0
83.04982	12.8
83.08610	4.8
85.06537	1.9
89.06350	1.2
91.05479	21.5
93.07039	21.4
95.04943	7.7
95.08607	14.1
97.02874	4.2
97.06512	3.6
97.10174	2.8
105.03421	1.3
105.07030	17.5
107.04971	6.6
107.08599	12.0
109.06516	5.3
109.10161	7.9
111.08062	3.1
115.90714	1.2
117.07030	5.9
119.04926	1.3
119.08575	9.5
121.06497	3.9
121.10141	8.0
123.04430	1.6
123.08057	3.8
123.11676	1.6
125.09627	2.2
129.07004	3.1
130.04239	1.4
131.08574	6.6
132.75237	1.5
133.06496	6.5
133.10127	10.7
135.08070	8.3
135.11696	4.2
137.09616	3.1
143.08479	2.6
145.10126	4.1
147.08047	3.6
147.11646	2.9
149.01245	2.4
149.09607	7.3
149.13182	1.4
151.11203	6.1
153.09154	1.2
157.10167	2.6
159.08064	3.0
159.11638	2.3
161.09647	3.5
161.13231	2.0
163.07574	6.9
165.09015	1.5
169.12164	1.4
171.11639	1.4
173.13194	2.0
175.11198	3.3
177.09140	5.8
180.46231	1.2
187.07594	1.4
189.04352	2.5
193.12227	1.6
199.06349	1.9
203.06015	1.4
213.08002	1.5
217.07515	4.8
223.13309	2.6
227.17886	1.7
229.07513	4.2
231.09055	5.1
241.07436	4.6
245.19005	2.9
247.08499	7.5
253.04912	1.5
253.07469	2.7
253.14487	1.6
259.08521	10.9
263.20053	2.9
269.13928	1.4
271.08487	1.4
273.18509	14.7
277.09705	1.8
284.12628	3.3
285.10458	1.4
285.13583	5.1
291.19543	13.9
321.24561	1.7
347.15292	4.5
347.22058	2.1
351.18503	1.7
365.10187	4.3
365.16580	12.3
365.23016	100.0
366.23376	4.7
383.17252	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06765	3.5
53.03939	10.3
55.01859	17.4
55.05507	36.5
56.96540	4.2
57.03439	29.5
57.07057	3.9
65.03939	6.4
67.05502	88.3
69.03405	11.0
69.07058	26.2
71.04988	7.0
71.32460	9.3
79.05491	81.9
81.03413	12.2
81.07056	97.0
83.04970	18.4
83.08618	23.9
84.80975	4.5
85.06536	8.8
91.04903	5.9
91.05468	86.4
93.07038	86.2
95.04966	33.7
95.08595	42.9
97.02881	4.5
97.06525	19.7
103.03899	4.0
105.07018	76.4
106.93077	4.1
107.04956	26.3
107.08605	49.8
109.06529	27.8
109.10146	36.7
111.08089	11.0
115.05427	5.7
117.07021	24.6
119.08588	32.4
121.06510	15.9
121.10130	24.1
123.08054	13.3
123.11692	8.2
125.09649	7.8
127.07580	4.9
128.06178	6.1
129.06969	12.2
131.08577	29.5
133.06485	22.8
133.10117	58.8
135.08055	27.2
135.11687	19.3
137.05991	7.1
137.09616	10.4
142.93333	4.0
143.08554	11.2
143.65970	4.3
145.10088	21.6
147.04292	6.2
147.08012	14.0
147.11679	13.0
149.06120	4.4
149.09619	38.8
151.11189	23.8
153.09151	4.5
157.04955	6.1
157.10101	8.8
159.08070	10.9
159.11671	9.4
160.85951	4.4
161.09666	19.3
163.11156	7.4
171.11674	11.0
175.11147	10.1
177.09131	16.0
177.12686	4.7
185.09584	4.5
189.12733	6.9
199.11078	5.5
215.12808	4.5
217.07343	4.1
227.10408	4.1
227.17847	6.1
245.19066	11.9
253.14331	12.7
263.20111	15.9
269.13806	7.1
273.18472	58.7
291.16571	4.1
291.19479	27.5
321.24094	7.5
344.06281	4.6
347.22049	4.5
365.10455	12.2
365.23117	100.0
365.33377	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47446	7.5
55.01868	22.9
55.05507	65.0
55.60724	8.8
56.96555	7.4
57.03429	18.5
57.88746	8.1
67.05238	9.6
67.05509	99.7
69.03424	16.5
69.07066	54.2
70.10614	43.1
71.04978	11.0
71.85448	7.4
72.05997	8.6
79.05484	77.8
81.03405	9.6
81.07055	78.6
83.04981	38.4
83.08603	24.1
87.84091	7.5
91.05468	54.1
93.07043	54.4
95.04965	41.5
95.08617	94.7
97.02866	23.8
97.06563	11.0
97.10156	19.5
105.06995	43.2
107.04988	13.9
107.08587	39.7
109.06502	13.9
109.10148	22.6
117.06999	18.1
119.08583	32.2
121.06516	12.0
121.10135	24.7
123.08072	20.4
123.11674	9.8
125.09610	17.3
127.65790	7.9
129.07068	9.0
131.08559	30.3
133.06563	9.2
133.10121	27.5
135.08043	24.5
135.11650	11.1
143.08549	15.6
145.10097	22.4
147.07977	12.7
147.11688	12.7
149.09592	10.0
151.11119	9.8
159.08058	11.7
159.11635	16.8
161.09586	10.4
175.11198	11.1
177.12773	9.6
179.03438	14.8
200.85716	9.4
209.13277	10.2
223.13333	21.7
273.18512	42.2
291.19458	100.0
365.10474	19.4
365.23083	99.9
366.23297	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01863	8.2
55.05306	2.9
55.05513	33.6
55.93525	3.3
56.96572	19.0
57.03437	14.5
66.76327	2.7
67.05508	44.6
69.03428	15.9
69.06722	4.4
69.07071	51.9
69.89007	18.9
71.04993	4.1
71.95216	2.8
72.93808	3.6
79.05500	33.9
81.03407	8.9
81.07069	33.7
83.04980	13.8
83.08624	10.7
91.05473	23.8
93.07045	26.5
95.04966	13.7
95.08601	23.1
97.02901	19.9
97.06564	3.9
97.10174	20.3
98.21414	5.0
104.59124	3.1
105.07024	17.7
107.04955	9.2
107.08604	19.2
108.93758	3.1
109.06513	4.6
109.10142	11.8
111.08111	3.4
117.06994	13.0
119.08603	14.7
121.10140	9.4
123.08091	5.6
125.09639	17.1
131.08546	7.4
133.10098	4.8
135.08044	8.0
135.11722	6.2
136.72177	2.6
137.09619	5.2
141.06952	3.4
143.08559	5.9
145.10158	6.1
146.99701	3.6
147.08057	6.4
147.11700	6.3
149.09593	3.5
149.13306	3.7
157.10246	2.9
157.59087	2.6
159.11644	5.4
163.11183	3.1
169.10156	2.7
171.11781	3.4
189.11185	8.9
195.13744	3.2
203.05756	3.0
205.12155	5.3
217.07370	3.6
223.13290	40.3
229.07512	7.2
247.08583	7.2
267.09033	5.0
273.18530	16.5
285.10239	5.0
291.19559	100.0
293.17365	3.1
306.81592	3.1
323.05426	3.5
347.12970	5.4
365.10107	7.0
365.14014	4.9
365.23196	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01875	17.5
55.05514	20.1
56.96551	10.3
57.03437	56.0
58.73674	2.9
65.03919	7.5
65.57353	2.6
66.92826	3.4
67.04268	3.1
67.05178	5.6
67.05504	74.2
69.03433	6.7
69.07066	19.5
70.15452	13.8
71.04980	8.9
78.24461	3.0
79.05061	4.5
79.05489	51.1
80.03781	3.2
81.03389	8.1
81.07059	64.6
83.04966	13.8
83.08605	8.4
85.02895	5.0
85.06535	34.2
91.05477	52.6
93.07042	52.4
95.04969	71.4
95.08607	37.1
97.02872	4.9
97.06514	8.7
97.10155	7.2
98.97579	3.1
99.04443	4.6
99.08115	3.6
103.05349	3.1
105.07021	42.1
107.04942	23.8
107.08595	31.0
109.05800	4.7
109.06516	74.1
109.10136	14.7
111.04443	3.5
113.05229	6.3
113.06004	100.0
115.05477	3.2
117.06982	19.0
119.04928	3.8
119.08603	24.5
119.09312	4.3
121.06482	13.6
121.10130	16.6
123.04403	4.0
123.08069	9.8
123.11720	6.1
125.09615	4.0
128.06265	3.8
129.06992	13.9
131.08578	25.6
133.06477	9.4
133.10104	20.4
135.08044	43.4
135.11696	12.2
137.05968	4.3
137.09604	6.7
141.07010	3.4
143.08542	12.5
145.06342	4.1
145.10117	23.6
146.07281	3.1
147.08022	12.4
147.11679	12.5
149.05978	6.4
149.09598	11.3
149.13184	3.9
151.07582	4.7
151.11195	5.6
155.08517	5.5
157.10133	8.8
159.08095	6.5
159.11682	13.6
161.09666	16.1
161.13246	5.3
163.07533	4.8
163.11198	7.6
171.11757	8.6
173.13275	6.5
175.11200	9.9
177.12675	4.9
183.11755	4.5
185.09541	4.2
185.13191	4.7
187.11118	5.1
189.09042	3.7
195.11734	5.0
199.11179	4.0
199.14754	6.5
201.12755	4.4
203.05179	4.4
203.10680	4.3
217.15857	20.1
227.17914	3.5
237.16386	4.6
241.10899	3.7
245.18953	6.5
255.17436	4.7
259.12137	5.7
273.18469	56.7
285.10123	7.4
291.19489	38.7
347.22266	6.1
365.19080	17.9
365.23291	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03942	1.4
55.01859	2.7
55.05521	6.2
56.96566	6.0
57.03440	10.7
59.18658	0.9
67.05508	11.7
69.03414	2.3
69.07071	9.1
69.60695	0.9
71.04967	1.3
71.31648	2.1
77.00922	1.3
79.05496	9.6
81.03422	1.9
81.07053	9.1
83.04975	1.8
83.08615	1.7
85.06540	7.3
91.05481	8.6
93.07044	10.0
95.01056	1.4
95.04972	10.0
95.08598	6.8
97.02902	2.5
97.06539	2.6
97.10180	1.1
98.97586	2.3
105.07014	5.7
107.04958	2.9
107.08582	5.6
109.06506	8.2
109.10136	2.3
113.06008	13.7
116.98640	1.4
117.07044	2.6
119.08574	3.4
121.06512	1.7
121.10136	3.0
123.08054	2.5
125.05767	2.9
125.09628	1.2
129.06978	2.2
131.00162	1.1
131.08531	4.6
133.10147	2.4
135.08044	5.8
135.11697	3.3
143.08568	2.1
145.10123	3.5
146.64035	1.0
147.08055	1.5
147.11705	1.9
149.01227	2.3
149.13361	1.5
157.10187	1.8
159.11717	2.7
161.01245	1.1
163.03793	1.5
166.35568	1.0
171.11662	1.8
183.11827	1.0
217.07518	1.2
217.15897	1.6
218.27437	1.1
222.94609	1.1
231.10817	2.4
239.11221	1.2
251.11372	1.4
263.12558	9.9
267.14423	1.9
269.12796	2.0
273.18417	4.7
282.95941	1.1
284.12811	2.1
287.11740	1.7
291.19528	11.9
327.45798	1.0
333.19147	1.3
338.89853	1.0
347.22034	1.3
351.79791	1.0
365.23016	100.0
366.23294	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38055	1.7
53.03942	5.1
55.01870	13.6
55.05266	2.2
55.05514	35.3
56.96565	5.9
57.03438	25.7
57.07068	2.4
59.04974	2.2
61.02928	2.6
62.82976	1.4
67.05507	53.2
69.03426	16.3
69.07070	64.4
69.29227	1.6
69.57193	13.6
71.05004	2.1
73.02882	1.5
79.05070	3.1
79.05495	48.1
81.03416	10.5
81.07059	73.1
83.04986	15.0
83.08612	12.1
85.02901	5.1
85.06529	3.7
91.05479	37.4
93.07048	35.7
95.04975	19.5
95.08602	21.9
97.02892	8.8
97.06528	11.7
97.10174	14.1
98.21481	3.1
99.04449	3.5
103.05462	1.5
105.07035	29.4
105.43246	1.8
107.04959	14.3
107.08610	25.6
109.02876	1.9
109.06519	29.9
109.10155	11.9
111.04437	13.3
111.08101	8.1
116.53983	1.6
117.07011	16.7
119.04964	3.1
119.08582	26.6
120.75392	1.4
121.06522	9.2
121.10126	13.1
123.08069	14.5
123.11673	3.1
125.09635	12.6
127.07589	9.7
128.06186	2.6
129.05542	1.9
129.07008	6.8
131.08569	15.6
133.06532	5.0
133.10075	10.1
133.51369	1.5
135.08032	10.9
135.11638	7.2
137.09607	7.7
143.08572	6.8
145.06537	2.4
145.10130	12.9
147.08061	13.1
147.11664	7.7
149.09595	7.0
149.13260	3.8
151.11154	2.4
153.07010	1.6
153.09126	2.9
153.12737	5.3
155.08501	2.0
157.10165	6.1
159.08049	3.3
159.11710	6.4
161.09676	11.5
161.13339	2.2
163.11220	9.1
165.09180	5.7
165.12814	2.2
169.10110	2.2
171.11665	5.5
173.09610	2.9
173.11821	2.0
173.13269	3.4
175.11208	5.1
175.14853	1.9
175.25793	1.4
177.12706	4.8
179.71689	1.5
181.12248	5.1
183.11711	2.3
185.13280	3.0
189.11214	6.9
189.12794	3.5
191.10690	3.5
193.12289	2.4
196.79347	1.7
198.24710	1.6
199.14838	3.5
203.10956	1.4
203.14349	2.1
205.12195	2.9
211.13242	1.6
217.15817	3.0
223.13281	17.8
227.12680	3.5
227.17880	3.3
235.16811	1.9
243.08723	2.1
245.19009	5.0
249.14897	4.1
255.17485	4.9
267.08981	2.1
269.12195	1.7
273.18488	41.9
285.10007	6.0
291.19550	100.0
292.19897	2.4
310.43518	1.7
336.92456	1.8
347.22061	3.5
365.10376	2.0
365.19202	4.7
365.23239	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.9
55.01878	18.7
55.05509	34.4
55.93523	4.4
56.96583	3.4
57.03437	23.8
57.07079	6.7
59.04987	8.3
65.03941	7.4
67.05504	83.0
69.03443	9.5
69.07060	29.8
71.04997	7.1
71.57507	4.0
71.57888	4.5
79.05491	72.1
81.03411	17.0
81.07056	100.0
81.10899	4.5
83.04978	23.7
83.08617	12.4
85.06552	7.9
91.05482	94.3
93.07047	65.1
95.04969	23.1
95.08593	38.8
97.06532	9.8
98.06134	3.2
105.07034	72.5
107.04951	22.9
107.08599	56.0
109.06541	16.4
109.10149	39.6
109.69004	2.9
111.04473	5.4
111.08099	11.7
113.06003	3.7
117.07014	15.5
119.08574	25.1
121.06523	16.8
121.10153	21.0
123.04411	4.8
123.08060	7.9
123.11709	10.6
129.07021	14.3
131.08560	25.1
133.06516	22.2
133.10139	79.3
135.08083	22.3
135.11697	12.7
137.09621	5.3
139.07553	6.3
143.08568	11.4
145.10130	11.3
146.70416	3.6
147.08075	8.2
147.11690	11.1
149.09634	27.6
151.11192	39.5
156.46748	3.1
157.10133	7.7
159.08075	5.5
159.11702	6.9
161.09639	16.7
161.13330	4.5
163.11179	5.4
171.11755	8.5
173.13226	3.3
175.11165	7.9
177.09131	8.8
185.13339	6.5
199.14757	3.5
245.19006	13.1
253.14275	19.0
262.87115	3.5
263.20084	7.6
269.13788	5.1
273.18524	39.8
291.19574	28.5
319.48422	3.5
347.12936	18.4
365.10095	9.6
365.13983	5.7
365.23102	54.6
365.27341	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.1
53.03938	3.6
55.01872	6.8
55.05511	9.4
56.96558	5.7
57.03432	50.8
57.07065	3.2
63.90202	1.2
65.03938	2.7
67.05501	54.1
69.03412	3.8
69.07066	10.7
69.27655	14.3
71.04980	6.1
79.05490	29.2
79.05937	1.0
80.55107	1.2
81.03409	4.6
81.07048	27.9
83.04984	3.4
83.08614	4.3
85.06538	40.6
91.05477	30.9
91.32777	1.2
93.07037	27.1
95.04963	62.2
95.08611	15.9
97.02935	1.7
97.06513	6.6
97.10127	2.1
99.08115	1.8
103.05476	5.3
105.07030	29.4
107.04955	11.7
107.08588	18.0
109.02814	1.5
109.06510	54.1
109.10146	4.7
111.08091	2.3
111.11707	1.4
113.06000	100.0
114.06295	1.2
115.05480	3.6
117.07011	12.9
119.04962	1.3
119.08581	16.3
121.06490	7.2
121.10106	8.1
123.04425	2.0
123.08063	6.3
126.11112	1.3
128.06235	3.1
129.06996	8.1
130.07832	2.0
131.04964	1.7
131.08569	15.8
133.06494	5.9
133.10110	11.0
135.08047	37.5
135.11658	9.6
137.05943	2.1
137.09628	1.9
137.13297	1.4
141.06987	3.0
143.08565	8.7
145.06462	3.5
145.10121	11.7
147.08038	4.9
147.11682	4.7
149.05966	2.9
149.09627	5.6
149.13281	2.1
157.10103	7.3
159.08018	3.7
159.11670	6.9
161.09615	10.0
161.13211	2.6
163.07533	52.1
163.11195	4.9
165.09126	2.3
169.10204	1.7
171.10242	1.2
171.11681	4.9
173.13257	3.8
175.07501	1.5
175.11208	3.6
177.09103	1.3
177.12723	2.5
181.10114	1.4
183.11714	2.5
185.13237	2.2
187.07532	1.5
187.14714	1.5
189.09055	5.9
189.12704	1.7
195.11641	1.4
199.11252	1.4
199.14915	4.2
217.15848	15.1
227.17885	2.9
229.10278	1.4
233.15280	2.1
245.18999	4.0
247.08678	2.2
255.17392	3.6
273.18524	21.3
275.02802	1.4
291.19507	25.0
309.11087	1.7
347.22156	1.9
365.10126	3.2
365.19000	28.3
365.23557	7.5
365.27829	2.1
366.18298	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67744	2.4
53.03932	9.2
55.01872	18.4
55.05262	3.1
55.05510	36.1
56.96568	2.9
57.03434	29.1
65.03925	5.3
67.05502	89.3
69.03413	8.6
69.07066	29.3
69.32040	25.4
70.06583	3.1
71.04970	5.8
79.05493	80.6
81.03414	14.0
81.07054	100.0
83.01310	3.2
83.04981	19.9
83.08608	15.8
85.06532	7.7
89.30620	2.1
89.36234	2.6
91.05478	97.3
93.07040	78.7
95.04966	30.6
95.08602	37.4
97.02879	3.2
97.06526	9.2
99.08107	2.3
99.38019	2.4
103.05428	2.8
105.07031	74.8
107.04951	27.2
107.08588	48.6
109.06487	20.3
109.10153	52.4
111.04451	6.6
111.08057	7.3
113.05929	3.5
117.07018	19.7
119.04957	3.1
119.08580	26.4
121.06508	14.9
121.10153	18.9
123.04430	2.9
123.08056	7.0
123.11691	8.6
128.06198	6.2
129.07013	9.9
131.08553	33.9
133.06509	20.6
133.09109	4.2
133.10123	82.0
134.45055	2.3
135.08058	21.3
135.11652	13.1
137.05946	4.0
137.09590	8.2
139.07513	7.4
141.06937	2.8
143.08572	9.9
145.10094	13.5
147.08040	10.8
147.11685	9.7
149.09631	29.6
151.07478	2.9
151.11183	41.9
153.12770	2.5
157.10115	7.6
159.08070	7.8
159.11652	7.3
161.09595	12.1
161.13179	4.1
163.11147	5.5
165.09105	4.0
165.12746	2.7
167.10696	2.8
169.12222	6.2
171.11696	7.8
175.11203	10.5
177.09120	13.5
177.12793	2.8
179.10654	3.3
185.13313	3.8
187.11230	3.2
189.12735	8.3
199.11305	2.9
215.54161	2.3
227.17949	4.0
245.19083	16.2
251.12732	3.4
253.14348	18.9
253.66582	2.5
255.17422	5.3
263.20007	9.7
269.13797	5.9
272.11188	2.5
273.18494	46.7
291.19574	28.9
347.22147	5.1
365.23212	65.6
365.33298	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
53.49375	1.1
55.01875	7.2
55.05510	34.8
56.96565	17.3
57.03436	11.8
57.07052	1.1
59.05002	1.2
62.79771	1.0
65.03923	1.7
67.05504	37.6
69.03424	14.7
69.07064	50.1
69.37276	5.4
69.37704	4.5
71.04980	2.7
71.95239	1.1
75.52986	1.1
79.05490	33.7
81.03416	7.0
81.07054	29.2
81.29734	1.0
83.04974	5.5
83.08623	10.4
85.02875	1.8
85.06551	1.5
91.05478	23.6
93.07037	20.4
94.04154	1.5
95.04974	10.0
95.08610	17.0
97.02888	17.1
97.06527	4.3
97.10159	17.7
103.05447	1.2
104.98804	1.0
105.07034	15.4
107.04962	10.3
107.08598	16.5
109.06542	6.8
109.10150	12.0
111.04445	1.1
111.08060	3.3
115.05417	1.7
117.07011	7.7
119.04926	1.4
119.08573	13.7
121.06495	3.9
121.10118	6.3
123.08071	5.3
123.11710	1.9
125.09608	12.7
128.98563	1.2
129.06979	4.2
130.07791	1.1
131.08548	7.3
133.01660	1.2
133.06511	2.4
133.10126	7.5
134.63893	1.0
135.08073	6.2
135.11681	2.9
137.09607	3.2
139.11172	1.0
142.07822	1.4
143.08566	3.8
145.01735	1.1
145.06429	1.1
145.10150	6.1
146.99672	1.3
147.08067	8.6
147.11688	3.4
149.09602	2.8
149.13258	3.0
151.11205	1.5
153.09085	1.7
157.10150	3.0
159.11694	3.8
161.09627	3.9
163.11153	2.2
165.09103	3.2
169.10115	1.3
171.03291	1.6
171.10295	1.3
171.11681	2.8
173.11758	1.3
175.11159	2.9
177.12701	2.6
183.03311	1.3
185.13260	1.9
189.04362	2.9
189.11235	8.1
195.13869	3.3
197.04828	1.5
199.06366	5.0
203.05846	1.6
203.10730	1.0
205.12192	3.1
213.08005	2.1
215.05879	1.7
217.07433	9.1
219.08981	1.1
223.06329	1.7
223.13281	30.1
224.13597	1.2
227.12669	1.9
229.07416	1.3
231.08948	2.0
237.16293	1.2
241.07449	9.8
245.18956	2.9
247.08560	1.1
249.14810	2.5
253.07498	3.4
255.09006	2.8
255.17458	1.2
259.08548	23.0
261.10001	1.3
263.20129	1.4
271.08594	2.8
273.10208	2.5
273.18469	17.9
277.09668	4.1
282.10086	1.6
291.19528	100.0
292.19772	3.1
310.16595	1.1
329.14337	2.2
344.41611	1.2
347.15292	16.2
347.21915	2.2
365.16232	24.6
365.23184	31.6
365.27957	1.9
366.16556	2.3
366.23798	1.1
383.17438	6.4
383.47153	1.0
388.17883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14365	2.1
53.03936	3.4
55.01874	10.3
55.05274	3.2
55.05513	36.6
55.93515	6.8
57.03436	15.6
65.03934	4.6
67.05506	37.9
67.15816	2.4
69.03432	15.3
69.07070	61.5
70.95854	5.2
71.04974	2.2
71.57783	3.2
72.93797	11.0
79.05486	45.5
79.89354	2.0
81.03408	11.1
81.07064	38.2
83.04965	11.1
83.08623	11.2
84.03305	2.0
84.29134	2.2
85.06550	4.4
88.96878	3.9
90.94815	6.6
91.05482	31.4
93.07046	27.5
95.01350	2.5
95.04995	11.8
95.05489	2.0
95.08603	19.5
97.02898	14.1
97.06516	5.2
97.10151	20.3
105.07034	20.6
107.04987	11.7
107.08604	21.5
108.95865	4.2
109.06519	7.8
109.10178	12.9
111.04458	2.0
111.08086	5.1
115.05423	3.4
117.07016	13.1
118.81564	1.9
119.08598	16.7
121.06476	3.0
121.10135	9.6
123.08077	6.3
125.09616	15.0
129.06982	5.0
130.07808	2.5
131.08557	8.5
133.06480	4.2
133.10124	7.9
134.97336	3.0
135.08017	7.7
135.11691	5.2
137.09589	4.9
145.10098	8.2
147.08005	6.3
147.11707	5.0
149.09645	2.9
149.13274	3.0
150.58302	2.2
153.09152	2.5
157.10188	4.5
159.11728	5.1
161.09579	3.6
162.28151	2.2
163.11166	2.9
164.99901	3.0
165.09094	3.6
173.13161	2.2
175.11121	2.8
177.12772	3.3
179.10597	2.3
183.98230	2.6
184.98949	2.1
189.11191	6.8
192.99402	2.8
195.13795	2.9
215.83650	2.2
223.13289	22.8
245.19031	3.6
259.06232	8.8
271.06290	8.9
273.18463	18.6
291.19531	100.0
329.12051	3.1
347.13040	54.4
348.13245	4.6
365.10205	4.5
365.14053	21.7
365.23126	70.5
365.33243	3.7
388.15540	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97556	2.1
53.03944	4.3
55.01857	8.4
55.05265	2.8
55.05512	34.8
56.96554	5.3
57.03437	12.8
57.07059	2.4
59.04983	2.3
62.33447	1.9
64.51289	1.8
65.03953	2.3
67.05504	45.2
69.03423	19.1
69.06733	3.0
69.07069	42.5
71.05005	2.5
71.31341	2.4
71.31683	2.0
71.85453	1.9
79.05057	3.5
79.05494	38.3
81.03397	8.0
81.07056	37.1
83.04964	7.0
83.08620	12.7
91.05479	29.7
93.07043	24.8
94.04112	1.9
95.04960	13.4
95.08614	16.1
97.02888	16.5
97.06509	6.1
97.10174	16.4
98.71552	1.9
105.07030	18.1
107.04953	13.6
107.08604	19.1
109.06522	2.2
109.10150	15.5
111.08064	4.3
117.07017	9.7
119.04909	2.1
119.08586	17.3
121.06523	3.3
121.10145	8.6
123.08076	6.3
125.09621	17.6
129.06995	6.3
129.76855	2.2
131.08572	11.1
133.06474	4.6
133.10104	12.8
135.08043	8.7
135.11641	3.7
137.09596	4.4
139.00545	2.4
145.10152	8.3
147.08044	8.9
147.11722	4.3
149.01236	6.0
149.09618	4.0
149.13240	5.1
151.11143	6.5
153.09251	2.3
157.10091	2.7
159.11685	3.4
161.09601	2.5
163.11235	4.0
165.09167	2.2
171.11716	2.4
189.11221	5.2
189.12737	3.1
193.77669	2.5
195.13763	4.2
203.15897	2.2
205.12115	2.2
223.13260	36.9
223.15430	2.6
229.07550	3.4
245.19043	3.5
247.08585	3.4
255.17361	2.6
263.20300	3.0
273.18506	21.1
284.12659	15.0
284.63004	3.7
285.10150	4.8
291.19540	100.0
292.20047	4.4
349.16486	2.5
365.15866	2.7
365.23120	67.5
366.23483	3.1
380.21356	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05505	3.8
55.48938	0.8
57.03428	1.8
57.07079	0.9
65.03928	1.2
67.05500	4.3
69.03416	2.2
69.07053	2.8
70.27968	2.8
79.05482	5.3
81.03410	1.6
81.07052	7.2
83.04967	2.7
83.08615	1.7
85.06480	1.1
90.77975	0.7
91.05472	5.1
93.07066	5.3
95.04960	2.6
95.08612	4.8
97.06520	1.3
97.10148	0.7
105.07003	5.7
107.04942	2.1
107.08584	3.8
109.06503	2.4
109.10166	2.8
111.04272	1.0
115.05386	0.7
117.07035	1.9
119.08569	2.8
121.06525	1.2
121.10101	1.3
123.08051	1.7
123.11674	1.2
125.02415	0.8
131.08565	2.9
133.06464	2.1
133.10124	2.8
135.08060	2.2
135.11659	1.7
137.05998	0.9
137.09630	2.3
143.08556	1.9
145.10101	2.3
147.08064	1.5
147.11703	1.1
149.02354	1.6
149.09630	1.0
149.13264	0.8
156.00453	0.7
157.10132	2.0
159.11702	1.8
161.09686	1.0
161.13136	0.9
163.07579	2.2
163.11166	1.3
175.11179	1.1
183.11658	1.1
185.09578	0.9
189.12744	0.7
193.04913	1.1
200.20085	1.0
203.06961	1.1
231.10884	1.7
261.14743	0.9
273.18439	3.1
277.14178	8.8
291.19586	1.6
295.13950	1.9
329.17105	1.3
347.18182	1.3
365.19336	100.0
366.19308	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01880	2.3
55.05527	5.6
56.96560	4.6
57.03426	3.5
67.05505	11.4
69.03437	1.8
69.07070	6.2
69.40348	9.7
71.04992	1.4
77.00914	1.2
79.05488	10.4
81.03419	2.7
81.07047	8.8
83.04963	2.9
83.08613	2.2
91.05475	11.0
93.07039	9.8
95.04977	6.3
95.08602	7.0
97.02895	2.0
97.06532	2.8
97.10181	2.2
98.97563	1.1
105.07024	8.3
107.04953	4.2
107.08599	6.5
109.06524	4.0
109.10136	3.8
111.04418	1.3
113.06007	1.2
115.05449	1.2
116.68850	1.1
117.07024	3.5
117.72197	1.1
119.08585	6.0
121.06561	1.4
121.10145	2.9
123.08085	3.0
125.05755	1.8
129.07025	1.6
131.08553	3.0
133.06503	1.8
133.10115	4.0
134.99629	1.1
135.08041	3.0
135.11729	1.5
143.08615	1.0
145.10045	2.4
147.08125	1.5
147.11678	1.5
149.09619	2.1
149.13278	1.7
151.11154	1.8
153.12689	1.2
157.10165	2.0
161.13354	1.1
167.02254	2.0
175.11237	1.3
177.09128	1.0
185.13297	1.3
195.10036	1.3
219.11020	1.2
231.10884	1.9
249.14651	1.1
259.08701	1.3
263.12476	5.1
273.18393	5.8
277.11261	1.5
284.12683	5.9
284.62949	3.1
291.19501	6.2
333.19040	2.7
347.21817	1.1
365.23010	100.0
366.23282	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01861	1.1
55.05485	1.6
57.03416	1.6
57.92148	0.5
65.03934	2.8
65.08366	0.5
67.05497	3.0
68.53352	0.5
69.03433	4.0
69.07049	1.7
71.04965	1.2
71.58200	1.3
79.05495	2.7
81.03431	0.8
81.06601	0.6
81.07043	3.8
83.04964	0.8
83.08607	1.2
85.02888	1.3
85.06541	0.8
85.63480	0.5
86.03136	0.5
91.05480	40.1
92.05785	1.1
93.07020	3.6
95.04961	2.7
95.08588	2.1
97.06535	1.1
105.07050	3.8
106.04154	1.7
107.04975	1.2
107.08595	3.4
109.06546	2.9
109.10162	1.4
117.07026	1.7
119.04939	33.7
119.08559	2.9
120.05264	0.8
121.06507	2.3
121.10128	1.3
123.04427	1.2
123.08096	0.9
125.09602	0.7
127.03894	0.9
128.06210	2.1
129.06979	0.8
131.08585	1.3
133.10092	1.3
135.08031	3.5
135.11757	0.6
137.05865	0.7
143.08545	3.4
145.06491	0.9
145.10114	1.2
147.08003	0.8
147.11748	1.8
149.05981	100.0
149.09668	1.4
150.06343	2.9
151.07521	1.9
151.11122	0.7
155.08591	0.7
157.10100	0.9
159.07986	0.6
159.11696	1.1
161.05959	0.6
161.09616	1.4
163.07582	3.5
165.35997	0.6
171.08028	3.2
171.11696	0.9
173.13203	0.9
175.11211	1.1
177.09160	1.6
185.09604	0.8
187.11166	0.8
189.09061	0.7
191.10623	0.9
193.08417	3.8
195.09895	2.7
203.10669	34.6
204.11058	2.2
205.12218	8.1
221.11772	8.9
251.12653	1.2
269.12442	1.7
273.18542	2.6
279.12201	1.2
347.18393	1.3
365.15799	6.8
365.19470	74.2
366.19751	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01867	1.5
55.05505	2.1
56.96550	0.8
57.03419	2.5
58.40564	0.7
62.99680	0.7
63.66572	0.8
65.03933	3.4
65.19907	0.7
66.30151	0.7
67.05503	4.7
69.03413	2.4
69.07059	2.2
70.48562	2.3
79.05491	5.4
80.04976	0.7
81.03408	2.1
81.07043	5.7
83.04993	0.9
83.08618	1.2
85.02906	1.1
91.05479	32.1
93.07037	4.7
95.04973	3.2
95.08603	2.7
97.06511	1.5
97.10178	1.1
102.33617	0.7
105.03375	1.2
105.07022	5.8
106.04170	1.1
107.04954	1.9
107.08560	2.5
109.06509	2.9
109.10130	1.5
111.08157	0.9
115.11116	0.8
117.07040	1.2
119.04944	23.7
119.08574	2.7
121.06502	2.8
121.10152	2.2
122.53348	0.8
123.04440	1.0
123.08049	1.9
123.11700	0.8
128.06171	1.6
129.07022	1.4
131.08549	1.9
133.10135	3.1
135.08055	2.6
143.08557	2.2
145.10135	2.4
147.08070	1.7
147.11676	1.1
149.05975	75.3
149.09543	1.7
150.06331	1.5
151.07538	2.0
157.10081	1.1
159.11711	1.6
161.06064	1.1
161.09587	1.1
163.07559	1.4
163.11157	1.4
169.10219	0.9
171.08043	2.1
171.11728	0.8
175.11244	1.4
177.09117	1.2
189.12733	0.8
197.13293	1.1
203.10652	27.2
205.12250	5.3
221.11749	8.0
269.12372	1.8
273.18408	3.8
279.11969	1.4
291.19525	1.2
336.86014	0.9
347.18091	2.8
365.15845	6.0
365.19406	100.0
366.19836	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53016	0.9
55.50630	0.8
70.19062	4.0
78.54892	0.8
104.06695	0.9
185.02579	1.8
185.04207	31.1
189.04857	0.9
203.05260	61.5
245.05202	1.5
332.32504	1.0
365.10553	100.0
366.10989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59547	1.2
55.01866	1.7
60.04510	1.9
61.49104	1.2
65.45033	1.3
67.05489	2.9
69.03429	2.4
69.07056	1.5
70.06567	1.7
70.87309	3.4
72.08139	2.9
79.05483	2.0
81.03404	2.3
81.07021	3.0
83.04980	1.3
91.05472	4.2
93.07031	2.2
94.06596	1.3
95.04980	1.8
97.02891	4.2
97.06520	1.8
105.07040	3.0
120.04455	2.0
122.06017	2.8
123.04436	1.8
124.07561	1.4
129.06984	1.7
134.05960	1.3
136.07559	1.3
137.09491	1.5
138.05595	2.5
140.07010	2.3
144.08105	1.6
148.03976	2.2
148.07570	5.4
158.05986	1.9
161.05965	12.4
166.04971	4.6
168.06538	3.0
171.09193	2.2
172.07555	3.3
174.09131	3.7
175.08693	6.8
176.07059	9.8
176.09598	1.7
178.08600	1.8
185.07159	1.5
189.06622	1.4
189.10239	3.4
190.08603	3.4
196.07562	2.3
198.07669	1.7
199.08687	8.8
200.07051	3.1
202.08781	2.2
203.06784	42.2
213.10201	4.4
214.08604	3.5
217.06136	1.5
217.09798	16.3
218.08131	1.8
223.08919	1.4
224.07076	3.0
226.10518	1.4
227.08141	16.4
228.06517	3.6
228.08797	2.4
229.09782	3.1
230.06795	1.4
231.07607	1.3
231.11218	2.7
235.10751	5.2
235.80083	1.3
241.09697	11.4
242.07976	6.9
245.09203	51.3
246.07509	2.9
246.09720	1.6
247.10779	2.7
250.07239	2.0
259.10757	12.3
263.10239	27.5
269.09161	6.4
273.08725	4.9
277.11807	2.1
287.10257	22.4
289.11688	3.2
291.09756	11.7
305.11295	100.0
306.11646	4.8
315.09671	4.4
323.12363	39.2
324.12515	1.5
333.10757	24.9
347.12387	1.9
365.13400	86.0
366.13803	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	3.1
55.05505	12.6
56.96566	100.0
57.03426	6.0
67.05502	19.3
69.03420	3.3
69.07072	16.4
71.04991	3.3
71.57781	2.9
71.95246	9.1
72.96042	3.0
79.05493	17.1
81.07047	19.6
81.24107	2.4
83.04959	4.2
83.08598	3.8
84.96026	3.1
91.05492	19.8
93.07053	13.9
94.80408	2.8
95.04964	6.3
95.08580	9.6
97.02895	2.3
97.10134	3.8
105.07003	11.3
107.04920	6.9
107.08585	14.2
109.06515	5.8
109.10161	4.9
110.97513	3.4
117.07002	4.2
119.08549	7.8
121.06479	5.0
123.08067	12.5
125.09580	2.9
128.06192	3.0
128.98587	6.3
129.06998	4.8
131.08545	8.4
133.10086	5.3
135.08023	7.9
141.02223	3.5
143.08521	3.6
145.10153	4.4
146.99614	10.3
147.03214	3.3
147.08032	4.0
147.11684	3.2
155.03735	8.5
157.01698	5.4
157.10135	4.5
158.07860	2.8
159.11610	2.8
163.07471	3.5
163.11176	4.2
165.00677	2.6
169.01744	2.8
169.05309	3.4
169.10072	3.5
171.03247	9.0
171.11621	4.8
173.04785	4.4
181.05290	2.9
183.03270	6.5
185.04839	6.5
187.02713	8.6
189.04330	18.9
191.05836	2.9
192.07237	2.6
195.03214	3.4
197.04822	7.4
199.06432	8.0
201.04288	9.8
201.07932	3.8
203.05878	12.1
204.67543	2.6
211.06421	4.2
213.07957	7.0
213.12311	2.7
215.05824	6.6
217.07466	19.0
218.28059	2.6
219.07094	3.2
219.09065	3.5
223.06296	3.3
225.07970	4.8
227.05835	11.2
229.07458	13.3
231.09003	9.1
237.07877	6.8
241.07419	4.2
243.08958	11.2
245.06909	8.8
246.07770	3.1
247.08493	11.3
251.09430	3.1
253.11079	24.9
255.09050	18.8
261.10077	9.1
269.10522	4.5
271.12170	38.5
273.10004	14.6
273.18591	12.3
276.12686	3.8
277.11005	6.1
278.10641	4.7
279.09018	27.6
281.10648	2.8
285.09915	6.5
287.11655	2.8
291.19559	14.7
293.10797	11.9
295.12161	19.5
297.10092	22.6
299.11548	3.0
302.10751	3.1
305.10486	4.0
311.11575	10.4
313.13205	4.8
321.17093	4.9
323.11572	6.5
329.14114	12.1
347.15305	73.1
353.16010	2.6
365.16302	90.2
365.23322	9.6
366.16641	3.1
370.16763	4.9
383.17297	8.9
388.17633	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	11.0
69.03426	8.2
70.19128	17.6
84.08154	4.9
85.02921	11.9
98.97607	11.7
103.70459	3.3
116.98617	6.7
119.01973	8.5
131.01904	9.5
133.03461	6.1
145.03455	6.7
149.06613	7.6
155.01892	7.3
159.05002	7.8
161.02991	8.6
161.06590	8.2
171.05069	5.8
173.03004	10.4
173.06651	5.1
177.00713	6.1
179.07645	4.8
185.04230	37.8
185.06680	5.3
203.05302	71.4
203.07591	12.0
207.01704	7.5
215.07672	15.5
219.01805	4.0
221.05092	15.0
237.02989	5.7
245.05080	5.9
250.97578	4.6
261.08286	6.1
272.64847	4.0
275.09796	5.0
279.09299	8.5
286.75500	4.5
287.10077	4.2
305.10800	51.4
323.11597	7.4
365.10788	100.0
365.19998	6.3
379.80063	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
53.75486	0.6
56.05020	0.7
57.03424	1.4
61.02900	2.7
67.05489	1.6
69.03094	0.6
69.03431	7.1
69.07044	1.4
70.06569	0.8
70.78477	1.5
71.04978	1.5
73.02911	1.5
74.06075	1.1
79.05455	1.0
81.03397	2.8
81.07072	4.5
82.06564	0.7
85.02906	13.4
87.04441	2.2
88.64399	0.6
93.07024	0.9
97.02895	6.2
98.06037	2.9
98.94093	0.7
99.04430	1.6
107.08583	1.5
109.02872	1.7
110.09647	2.2
116.15358	0.6
122.09679	7.1
123.11689	1.4
127.03896	3.3
130.67769	0.6
138.09198	0.7
138.12781	7.8
145.04919	1.9
148.11215	5.8
166.12282	32.4
184.13336	13.9
196.65849	0.6
202.14380	100.0
203.14700	2.7
226.14359	1.1
240.62909	0.6
244.15469	1.1
324.65579	0.6
328.17599	0.9
363.38052	0.8
364.19653	48.8
365.19962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.8
62.69644	0.9
69.03419	2.7
69.47879	8.6
69.48222	1.4
70.03770	1.1
74.06059	0.9
85.02899	5.1
86.03213	1.0
97.02903	2.3
98.97585	2.6
109.02867	0.9
116.98625	3.1
119.01907	4.3
122.09642	1.2
123.10058	1.3
125.11561	1.1
127.03877	1.7
128.61612	1.0
129.04112	1.0
133.02591	1.1
139.13112	1.9
142.12274	1.1
143.01949	1.4
145.03494	1.0
146.99626	1.1
148.11243	1.1
155.01924	1.0
157.03523	1.1
161.02950	2.5
162.51678	0.9
163.25845	1.0
166.12279	3.8
167.12616	5.3
171.20422	0.9
173.02974	2.1
184.13365	1.6
185.03065	1.8
185.04242	28.7
185.13699	2.2
185.20145	0.9
187.04587	0.9
188.97073	1.3
189.00710	1.2
197.02950	1.6
202.14348	14.2
203.05273	55.7
203.14743	20.1
204.05647	1.1
218.05338	0.9
230.98082	1.7
245.05064	8.2
263.06177	1.1
365.10574	100.0
365.19962	18.6
366.10764	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01860	1.1
56.05022	0.7
57.03430	1.5
59.04971	0.4
59.41095	0.4
61.02927	3.3
67.05482	1.2
69.03087	0.6
69.03426	9.8
69.07052	1.1
70.06588	1.9
70.78571	1.3
71.04993	2.4
73.02896	1.4
74.06065	1.4
79.05473	1.1
81.03416	3.0
81.07056	4.0
82.06552	1.2
84.08153	0.5
84.81480	0.4
84.92293	0.4
85.02901	14.6
87.04463	2.0
89.49293	0.5
93.07026	1.2
95.08620	0.8
96.08121	1.1
97.02888	6.8
98.06072	2.1
98.09676	0.5
99.04420	1.5
107.08575	2.1
108.41360	0.4
109.02857	1.3
109.06508	0.4
110.09700	1.9
118.75309	0.4
121.10136	0.8
122.09663	6.0
123.11681	0.7
124.11234	4.1
125.09595	0.5
127.03909	3.7
131.08559	0.4
138.09099	0.6
138.12779	7.0
142.12271	11.9
145.04918	1.5
148.11200	5.4
149.09546	0.9
166.12271	27.5
167.12601	0.5
184.13332	11.9
185.04214	1.3
200.54294	0.4
202.14372	100.0
203.05269	3.6
203.14742	2.4
226.14279	0.5
244.15520	1.1
245.04962	0.9
263.06464	0.4
302.60492	0.4
328.17508	0.9
346.18677	0.7
364.19629	45.7
365.10687	6.1
365.19986	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.1
57.07053	3.7
63.58654	2.1
67.05483	8.7
67.47009	1.7
69.07073	14.9
79.05478	7.2
81.07045	15.2
83.08608	5.6
89.06036	2.2
91.05496	3.0
93.07024	7.2
95.04957	2.1
95.08627	12.0
105.07050	3.9
107.08580	7.5
109.05861	1.9
109.06519	11.3
109.10133	5.8
109.48534	1.8
111.08051	4.2
116.14625	1.8
119.08559	5.4
121.10123	4.3
123.07198	4.2
123.08062	62.9
123.11666	3.5
133.10135	3.6
135.08054	6.7
135.11720	3.7
137.09619	2.2
143.54007	2.0
147.11665	2.2
149.13243	3.9
159.11723	2.9
179.14275	15.3
211.80690	1.9
289.25626	2.0
306.52728	2.1
307.22479	9.6
331.26450	7.5
363.28897	100.0
364.29401	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01856	1.1
55.05489	0.6
56.05016	0.5
57.03409	1.9
61.02927	3.1
67.05509	2.3
69.03096	0.5
69.03426	8.1
69.07045	1.6
70.06566	2.0
70.59799	1.6
71.04989	2.2
73.02900	2.0
74.06074	1.1
76.74622	0.5
79.05472	1.2
81.03420	3.3
81.06642	0.4
81.07056	4.5
82.06556	1.0
85.02905	14.2
87.04456	1.5
93.07013	1.3
95.04922	0.7
95.08550	0.8
96.08104	0.7
97.02892	6.5
98.06034	2.7
98.97530	0.7
99.04427	1.4
102.24288	0.4
107.08566	1.9
109.02854	1.6
110.09683	2.3
115.03947	0.5
121.10123	1.2
122.09673	6.0
123.11696	1.0
124.11247	2.6
127.03930	2.8
131.08627	0.6
135.94106	0.4
138.12778	8.6
142.11259	0.6
142.12288	7.2
145.04935	1.6
148.11206	6.1
149.09554	1.2
166.12277	26.6
177.00743	0.7
184.13315	11.5
190.73010	0.5
202.14374	100.0
203.14655	2.2
226.14354	0.9
244.15477	1.2
328.17566	0.6
337.87665	0.4
346.18564	0.8
364.19638	55.6
365.19946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2143
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
55.05515	1.7
67.05483	1.4
67.55371	1.2
69.07066	1.8
70.19603	1.1
71.58422	2.4
79.05505	1.5
81.07059	2.2
89.80045	1.2
93.07051	1.4
94.73929	1.2
95.08607	2.0
105.07104	1.3
107.80302	1.1
117.07064	1.3
159.06406	1.5
164.94464	1.2
210.17625	1.2
243.09915	4.7
318.63199	1.3
318.67032	1.3
338.97430	1.1
341.92935	1.3
345.11475	2.3
361.10913	1.4
363.21445	100.0
363.33118	4.6
364.21835	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91481	3.0
53.03927	8.0
55.01872	19.4
55.05510	53.4
56.96550	7.8
57.03146	6.0
57.03429	100.0
65.03920	4.2
67.05499	71.5
69.03403	10.2
69.07059	18.7
71.04987	6.0
79.05037	2.2
79.05482	67.1
81.03407	6.5
81.07044	48.8
83.04973	72.8
83.08591	14.7
85.06534	8.6
91.05468	69.9
93.07029	52.7
95.04965	21.9
95.08595	32.3
97.06514	9.9
97.10162	13.9
98.11736	3.7
99.04446	10.3
103.05437	7.5
104.66439	3.4
105.07013	41.7
107.04941	78.2
107.08574	30.3
109.06496	25.6
109.10155	16.7
111.04430	44.8
113.05991	9.8
115.05452	5.2
117.06999	25.6
118.06512	7.6
119.08563	86.9
121.06501	20.3
121.10159	12.9
123.04408	4.3
123.08036	10.3
125.05968	9.5
125.09605	9.9
128.06212	5.1
129.05421	3.7
129.07022	20.5
131.04883	4.1
131.08557	34.3
133.06493	19.1
133.10135	14.8
135.08034	26.4
135.11684	13.0
137.09573	6.9
141.06969	7.9
143.08572	17.9
145.06499	14.3
145.10104	28.6
146.05975	12.0
147.08018	25.4
147.11665	9.9
149.05989	9.4
149.09607	8.4
149.13235	7.4
151.07498	7.8
155.08499	12.4
157.10127	13.6
159.08023	52.1
159.11650	8.6
161.09622	9.4
161.13258	4.4
163.07530	14.2
163.11140	9.6
165.06926	3.8
167.03783	3.5
169.10051	6.2
171.11684	14.4
173.09657	16.8
173.13293	6.0
175.07530	3.4
175.11227	4.8
176.14316	31.8
177.09189	5.9
177.12759	12.8
178.13553	7.3
181.09993	3.6
183.11708	11.9
185.09587	5.8
187.11237	7.1
187.14766	9.2
188.07027	10.9
189.11171	10.3
189.12735	8.2
193.21574	3.5
197.13306	5.5
199.11093	5.0
201.09108	6.1
203.10674	6.9
205.15788	16.5
215.14198	6.5
225.16272	5.3
233.15346	27.0
243.17387	10.0
253.15913	8.1
261.18469	22.2
271.16849	21.6
289.17966	42.1
324.21884	3.6
345.20688	5.2
363.17560	19.6
363.21667	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87882	1.0
55.01859	1.0
55.05510	4.2
56.96560	6.0
57.03438	2.8
67.05506	4.8
69.07069	3.1
69.29246	10.7
74.44355	1.0
79.05501	4.5
80.18287	0.9
81.07056	5.6
83.04998	2.5
85.06530	1.1
86.15882	1.0
87.63051	1.0
91.05466	5.5
93.07050	4.5
94.74532	1.0
95.04975	2.9
95.08615	3.2
97.10197	1.8
98.21456	1.7
105.07027	3.9
107.04964	2.8
107.08615	3.3
108.92009	1.2
109.06537	2.0
109.10190	2.5
114.00439	1.0
117.06993	1.9
119.08597	4.1
121.10109	2.4
123.04483	1.1
125.09650	2.5
131.08585	3.4
133.10146	1.7
135.08063	1.6
143.08536	1.5
145.10144	2.1
145.19998	1.1
147.08058	1.8
159.08078	1.4
159.11703	1.1
161.13268	1.2
162.66653	0.9
163.07597	1.8
171.11699	1.3
173.09657	1.6
193.12029	1.2
195.09958	1.1
209.78442	1.2
229.07559	1.2
247.08499	1.6
267.17532	1.5
269.12433	1.5
271.16959	2.1
277.14169	16.8
289.18021	2.9
291.29089	1.2
295.14001	3.1
363.17813	100.0
364.18210	3.0
381.15863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	29.0
56.96558	51.7
57.07091	24.8
60.88065	19.2
63.91328	18.4
67.05500	46.0
69.07047	30.6
70.02203	80.1
72.09621	22.9
79.05472	67.8
81.07048	63.1
90.15891	20.6
91.05455	30.2
95.08588	48.5
97.06512	35.3
98.20805	23.2
105.07024	30.4
107.08550	40.5
130.75044	21.9
131.08592	24.9
135.11653	25.4
293.10141	22.4
331.15784	37.2
349.16931	100.0
363.19070	68.6
363.29099	26.9
363.32968	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2142
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
53.92741	0.6
57.07055	1.0
69.07066	0.9
70.06599	1.2
70.64440	1.0
70.64786	1.3
74.42645	0.7
81.07066	0.9
84.00016	0.6
91.05498	1.2
93.07059	0.8
96.01871	0.9
99.55410	0.7
103.30930	0.7
137.05974	1.9
138.02927	0.8
140.07027	0.7
152.07050	2.3
152.35471	0.7
197.61624	0.7
257.26608	1.5
294.14346	9.0
301.29376	2.5
349.17068	0.7
363.21417	100.0
363.32990	8.7
364.21793	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1775
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
53.51011	0.8
55.05499	2.9
56.96558	4.4
57.03434	2.1
58.67092	0.8
62.41434	0.8
62.58577	0.8
67.05499	4.5
69.03456	1.0
69.07060	2.8
71.58556	1.1
79.05485	3.1
81.07050	3.6
83.04961	1.4
89.78304	0.9
91.05479	4.4
93.07049	3.4
95.04944	1.9
95.08601	2.3
97.10094	0.9
105.07018	2.8
107.04933	1.3
107.08579	2.9
109.06511	1.2
109.10143	2.0
111.89608	0.8
117.07006	2.4
119.08560	3.5
121.06564	1.0
121.10127	1.9
129.06982	1.3
131.08609	1.3
133.10126	1.2
135.08080	1.5
145.10170	1.2
147.08041	1.0
147.11745	1.3
151.07509	1.0
159.08003	1.3
159.11713	1.7
161.09579	1.5
167.94688	1.0
189.11162	1.1
189.52234	0.8
195.09930	1.4
203.05807	0.9
223.06465	0.9
241.07433	1.3
257.12613	1.1
261.10217	1.0
277.14166	16.4
289.17755	2.0
295.14014	1.7
363.17789	100.0
364.18195	2.6
381.15976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05507	3.4
56.96564	7.9
57.03436	1.5
57.07076	1.9
67.05501	3.1
69.07068	3.4
70.06577	4.3
70.21592	5.3
75.01587	1.1
79.05495	3.4
81.03416	1.5
81.07050	3.3
83.08633	1.2
88.07632	2.9
91.05504	1.6
93.07048	3.2
95.04959	2.3
95.08595	2.5
105.07044	2.9
107.08639	1.7
109.06509	1.5
109.10144	1.6
114.09201	1.8
117.07067	1.4
119.08561	2.5
121.10075	1.1
131.08569	1.4
132.10182	6.0
133.10587	1.9
145.09996	1.3
147.03233	1.7
159.02122	1.1
159.08047	1.7
161.05969	1.7
187.07346	2.4
189.04279	1.7
194.13942	2.0
195.09906	1.4
203.06885	7.6
245.06960	1.6
250.11804	2.6
257.26602	1.6
267.09213	1.2
269.10611	2.1
287.11722	1.5
289.14081	1.9
295.08777	1.5
317.13617	100.0
318.14041	1.8
330.18079	3.1
345.13608	2.5
362.32700	7.3
363.14642	1.6
363.17734	21.2
363.21588	13.7
363.25809	2.1
363.33005	23.7
373.06177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.9
55.05505	3.8
56.96558	8.3
57.07073	5.6
59.54650	3.2
61.05944	3.2
67.05505	16.3
69.07063	8.1
70.06591	15.1
71.04998	17.3
71.08633	6.5
79.05502	5.8
80.79022	2.8
81.07047	14.8
83.08616	3.4
88.07639	13.6
91.05460	4.5
93.07028	5.5
95.08620	5.7
97.88468	3.2
105.07032	3.8
107.08592	4.7
109.10140	6.6
114.09151	6.2
123.11720	3.3
125.58564	3.2
131.08617	4.1
132.10222	30.2
155.14288	8.1
155.77785	3.7
173.11732	10.8
176.12842	3.5
199.53845	3.4
201.09653	3.8
256.26346	7.2
295.08521	3.3
303.05493	3.4
318.30020	3.7
362.32733	100.0
363.06665	3.4
363.21417	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84323	0.4
53.03939	0.4
55.01870	1.3
56.05034	0.8
57.03435	0.5
60.04522	1.0
67.05502	1.1
69.03424	0.9
69.07063	0.6
69.72184	2.6
70.06580	0.9
72.08174	0.4
73.02898	0.4
73.94435	0.4
79.05502	1.0
81.03406	1.7
81.07060	0.9
84.04479	0.4
84.08137	0.7
85.02910	1.3
87.90880	0.3
91.05457	0.9
92.05820	0.4
93.07049	0.7
94.07385	0.4
95.04974	0.6
95.08594	0.4
96.08119	0.5
97.02875	0.8
97.06513	0.4
98.06062	0.4
98.20850	0.8
98.97558	0.5
101.63680	0.4
104.73980	0.4
105.06975	0.5
107.08608	0.5
108.08148	0.9
109.06567	0.4
115.07503	0.4
116.98588	0.6
120.08076	0.5
123.04443	1.5
124.04768	0.6
134.99606	0.7
136.07561	0.9
138.05461	0.4
138.09137	0.6
146.99818	0.3
150.09189	0.4
163.03981	0.6
165.05434	0.6
165.44872	0.4
166.05925	1.0
183.06610	0.6
184.06862	1.2
189.31233	0.4
201.10973	5.3
204.30901	0.4
205.17590	0.4
209.54855	0.4
218.09673	0.4
218.25220	0.4
219.01772	0.5
221.21008	0.5
221.40225	0.4
237.02905	0.7
249.20515	0.5
265.23663	0.5
267.21594	0.4
283.21109	0.6
303.12894	0.6
306.57263	0.4
309.22467	1.4
327.23489	1.9
345.24637	3.2
363.16245	100.0
363.25607	10.7
364.16623	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2535
Annotation	Broussonetine F
Peak:m/z	Relative Intensity
50.08180	0.7
51.22733	0.7
53.03945	0.8
54.76516	0.6
55.05509	2.4
56.05038	3.6
60.04525	7.3
67.05500	8.1
68.05020	1.5
69.07067	1.5
70.06595	6.8
71.05023	0.8
71.48999	1.3
79.05491	8.5
80.05008	1.5
81.07056	8.2
82.06563	3.4
83.04971	0.9
84.08137	2.6
91.05476	6.6
93.07038	7.7
94.06559	3.4
95.04974	0.9
95.08607	4.5
96.08125	6.3
96.18710	0.7
97.06516	0.8
98.04919	0.7
105.07019	3.1
107.08598	3.4
108.08119	1.1
108.80944	0.8
109.10170	1.7
110.09685	1.0
112.07594	2.1
114.09164	2.9
117.07013	1.2
119.08599	3.4
121.10143	2.1
122.09677	1.6
124.09835	0.7
124.11242	3.1
128.58493	0.9
129.07001	1.0
130.08650	3.9
131.08588	1.3
132.90916	0.6
133.10132	2.5
134.09657	0.6
138.12872	0.6
145.10161	1.1
146.98488	0.7
147.62195	0.6
168.13921	0.9
176.96410	0.7
220.20598	5.1
222.18503	5.4
234.22206	0.9
246.18610	2.4
246.22197	1.7
248.20233	3.6
248.22401	0.7
260.43954	0.7
264.19623	2.5
264.23291	4.2
266.21133	4.9
280.40961	0.7
282.20654	19.4
282.24161	2.8
284.22125	1.8
290.21323	1.3
300.21826	0.7
308.22180	6.4
326.23239	18.1
327.23474	0.9
344.21048	0.5
344.24295	29.0
362.25348	100.0
363.25674	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57497	4.2
67.05497	7.2
69.46987	33.8
71.78127	3.4
72.08136	4.9
81.07039	7.1
91.05470	4.8
93.07039	8.1
95.08611	5.6
98.73726	3.5
99.04408	5.5
100.15025	3.5
104.17124	4.1
105.07014	4.1
107.08582	6.3
121.10146	3.8
133.10147	6.1
145.10164	3.8
165.42361	3.8
166.42264	3.8
178.73563	4.0
184.93857	3.7
289.14035	5.7
361.19815	100.0
361.23639	18.3
379.17825	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07673	0.8
53.03948	0.9
55.01871	23.5
55.05507	6.5
56.05022	3.5
56.96582	1.0
57.03435	1.5
60.04526	8.8
61.02921	2.1
67.05507	9.6
68.05026	1.7
69.03426	3.8
69.07057	3.0
70.06589	9.4
71.04984	2.7
71.24438	0.9
71.24752	1.6
72.08133	0.9
73.02917	1.1
74.06062	1.6
79.05495	10.1
81.03396	1.5
81.05765	1.1
81.07054	7.9
82.06573	3.2
83.04974	2.0
83.08600	1.2
84.04464	0.9
84.08132	3.0
85.02509	0.9
85.02914	10.8
85.06532	1.4
86.06052	2.3
86.09695	2.2
91.05471	8.0
93.07041	8.4
94.06558	2.8
95.04974	4.1
95.08614	5.4
96.08131	7.7
97.02876	3.6
97.06504	2.5
97.08894	1.1
98.09678	2.2
98.97542	1.3
99.04438	1.3
105.07048	6.2
107.04933	1.7
107.08606	4.2
108.08135	1.6
109.06519	1.2
109.10127	2.2
110.09686	2.9
110.34124	1.1
112.07603	1.6
114.09174	5.2
116.98636	1.0
117.07011	1.8
119.08569	3.7
120.08106	0.9
121.06524	1.5
121.10136	3.3
122.09685	1.4
123.04427	64.8
123.08066	1.5
124.04762	1.1
124.07578	1.0
126.09130	1.4
127.03925	1.4
129.06943	0.9
130.08632	2.2
131.08539	2.2
133.10077	2.4
134.99599	1.0
136.11189	1.2
137.05971	3.1
138.09186	1.0
138.12804	1.1
140.07069	1.0
145.05025	2.1
145.10094	2.1
147.04353	1.2
147.08034	1.1
147.11668	1.6
154.12221	2.2
154.34741	0.9
154.71735	0.9
159.11644	1.2
160.46793	0.9
165.05473	63.7
166.05838	2.0
180.08673	1.3
182.08128	1.2
183.06525	47.5
187.60014	1.0
200.12798	1.5
201.11076	1.6
218.18799	1.0
220.20595	2.9
222.18506	2.4
231.06485	1.6
237.02838	1.2
246.22212	5.4
248.20183	6.3
264.19495	2.5
264.23221	5.3
266.21100	5.3
282.20642	10.4
282.24176	2.5
284.22208	1.6
290.21069	3.6
302.23038	1.0
308.22244	11.5
314.23138	1.1
326.23242	24.8
344.24274	33.1
362.15298	2.6
362.25345	100.0
363.11743	0.8
363.16217	19.2
365.81671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	CHEBI:70389
Peak:m/z	Relative Intensity
53.03934	0.7
55.01867	1.3
55.05490	0.6
67.05490	2.0
69.03413	0.8
69.07050	0.6
69.44463	2.9
69.44888	1.7
79.05498	4.4
81.03405	0.7
81.07048	2.6
83.04987	0.8
88.65838	0.5
91.05469	4.4
93.07052	2.8
95.04939	2.9
95.08584	1.9
97.06531	0.7
98.21511	1.0
103.05464	5.2
105.07030	16.2
107.04996	0.7
107.08582	2.1
109.02853	1.0
109.06503	1.4
109.10161	1.4
115.05454	1.5
117.07009	1.5
119.04905	0.7
119.08566	1.3
120.05740	0.7
121.06490	0.9
123.04406	1.1
123.11742	0.7
125.09588	0.6
128.06233	0.9
129.07011	1.9
131.04915	1.8
131.08533	1.5
133.06454	3.1
133.10121	0.7
135.04427	1.8
135.08046	2.1
135.11632	0.7
137.05946	0.7
141.06982	1.4
143.08562	0.7
145.10132	1.1
147.08076	1.1
147.11681	0.6
149.05978	3.0
157.06549	1.5
158.07224	0.9
159.08026	1.2
160.05067	0.5
161.05927	0.8
161.09657	1.0
163.07541	100.0
163.80754	0.5
164.07861	3.0
167.07135	0.9
171.08035	0.6
174.06798	2.0
175.07556	6.3
177.09117	0.9
181.08595	62.8
182.08969	1.9
189.09105	17.3
190.09459	0.6
193.08595	2.4
207.10210	6.5
225.11255	0.9
229.12274	0.6
285.11313	0.8
311.12878	1.5
325.14362	3.6
338.43695	0.6
343.15393	17.2
344.15726	1.5
361.15976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
56.05011	2.7
62.38824	2.0
69.03445	4.9
69.54077	17.0
70.06576	10.1
81.07065	4.7
83.06112	3.2
84.04486	7.0
84.08102	5.4
85.02901	8.9
86.09696	13.5
90.85696	2.4
95.04909	2.3
97.02919	3.5
107.04938	8.2
111.04423	2.3
113.02361	2.5
116.98657	3.1
120.06572	5.1
122.29819	2.2
123.04411	3.8
125.07108	5.1
127.03841	3.2
128.94218	2.3
129.10251	2.7
140.06995	2.3
153.10245	4.6
155.08469	2.3
157.07658	3.2
163.03854	5.9
165.06992	9.4
178.07782	4.3
179.08508	16.9
181.06543	2.1
181.09697	16.7
183.08046	27.1
191.08304	2.2
193.06487	5.4
194.07233	4.3
196.14471	3.7
197.05838	3.3
197.12796	2.9
199.08911	3.3
199.10771	26.0
200.09225	4.1
203.26962	1.9
207.08054	61.6
208.08372	2.4
209.09688	5.1
210.09172	7.4
211.07516	17.8
212.90169	2.1
217.06378	5.1
219.08040	3.0
221.05867	11.4
223.07466	3.9
234.09164	3.1
235.07538	100.0
236.07764	2.6
237.02745	4.1
237.09158	13.0
238.08766	4.4
239.07028	65.8
252.10188	70.1
253.08463	2.8
263.07050	9.1
280.09637	12.3
281.08057	54.0
281.10907	3.1
284.09180	4.0
297.12317	45.0
298.10718	74.0
303.06934	2.0
303.10516	2.3
309.07495	2.4
315.13202	11.1
317.11926	9.3
326.10175	14.7
343.12836	42.2
344.11182	4.7
361.10764	11.5
361.14490	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46265	19.4
66.01381	17.6
66.66972	15.3
67.05502	46.5
69.07072	42.0
69.98316	100.0
71.04987	80.2
78.34686	16.3
79.05505	54.5
81.07057	50.1
83.08593	26.3
91.05498	24.1
91.09164	15.5
93.07059	78.2
95.08600	28.1
97.10133	26.4
107.08600	58.6
109.10161	58.6
120.27966	19.2
121.10152	63.9
173.11777	95.4
189.11263	17.4
203.66267	16.9
231.94975	22.3
275.20081	42.5
359.73468	74.7
360.23474	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56081	2.2
55.32251	2.4
69.03434	2.6
70.60227	4.3
74.06084	2.2
81.07071	2.7
84.08126	1.9
85.02899	4.1
86.09681	5.3
91.05455	2.6
103.39274	1.9
107.04954	2.7
107.42387	1.7
113.05768	2.1
116.98620	2.6
119.01877	3.4
123.04398	2.4
143.01871	2.1
161.02954	4.3
164.07079	3.1
181.09714	3.5
183.06494	1.9
199.09460	2.2
227.05293	2.8
259.54407	2.0
275.11044	10.4
293.10736	3.5
317.12051	57.5
361.10913	100.0
361.14740	21.0
361.23813	4.2
362.11371	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58550	10.9
55.01871	20.0
55.05508	100.0
56.96554	13.9
59.04998	51.8
64.70753	9.9
67.05503	89.3
69.03425	26.7
69.07065	89.3
70.91444	22.3
71.04993	84.6
79.05493	84.3
81.03463	11.2
81.07060	72.7
83.04999	18.2
83.08618	34.9
85.02893	12.4
91.05492	36.1
93.07030	69.6
95.04968	36.1
95.08599	27.1
96.86577	11.3
97.06526	39.3
97.10188	53.3
105.07034	25.3
107.04934	14.2
107.08633	56.7
109.06535	31.4
109.10146	47.6
111.08135	10.1
115.07546	23.9
117.06973	14.4
119.08591	24.1
121.06535	10.5
121.10177	42.2
125.09608	63.6
133.10120	13.8
137.09538	10.1
147.11769	14.4
150.86211	10.2
153.12715	17.1
159.11761	11.0
167.03348	9.7
169.32745	9.4
173.11766	60.0
189.11211	21.7
194.19730	9.5
219.16878	11.0
237.14839	12.3
275.20050	16.4
321.78693	10.6
361.19879	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	19.1
55.05508	65.1
56.96561	8.0
57.03414	11.7
59.04993	45.8
67.05511	86.5
69.03443	14.5
69.07062	100.0
70.64846	16.0
70.65195	13.8
71.04996	60.3
79.05489	70.5
81.03411	19.7
81.07050	60.5
83.04982	11.7
83.08617	38.6
86.60231	7.3
91.05492	40.8
93.07042	42.9
95.04949	26.3
95.08602	24.1
97.06535	55.3
97.10172	56.4
105.07021	25.2
107.08610	23.6
109.06529	28.2
109.10137	19.2
111.08112	7.0
115.07574	13.8
117.06987	10.6
119.08594	15.2
121.10148	17.9
123.04480	7.2
125.09635	46.8
131.08464	9.0
133.10156	9.4
135.08009	9.5
137.09688	8.6
145.10091	9.4
147.11667	9.8
157.12466	6.7
158.35115	7.0
173.11757	13.8
189.11301	20.5
189.88020	7.1
204.07431	10.0
205.07452	9.5
222.14888	11.9
223.13260	14.4
223.18930	7.2
237.14755	14.6
273.10828	8.9
273.18481	11.7
275.19778	10.6
291.19394	7.7
334.32870	8.6
360.23978	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	90.5
55.53617	18.5
55.94331	15.9
57.97779	17.4
59.04993	64.4
67.05502	100.0
69.07053	80.6
70.70802	16.2
71.04982	60.2
79.05498	86.8
81.07040	64.2
83.08606	32.1
91.05472	37.4
91.89092	17.9
93.07047	50.6
95.04982	31.7
95.08607	23.9
97.06512	45.4
97.10167	76.6
107.08601	30.8
109.06461	23.4
111.08012	18.7
115.07541	40.4
121.10122	21.6
125.09602	34.8
134.09935	20.1
153.33405	20.3
153.95764	19.8
157.93779	20.7
161.80637	17.4
189.11253	19.0
229.27521	16.7
233.84113	19.7
264.33536	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.1
54.83553	11.7
55.05501	43.8
56.96529	23.5
57.03429	35.3
58.00565	13.5
67.05501	100.0
69.03419	35.6
69.07063	31.2
69.47789	12.8
71.04971	16.0
71.58128	26.2
77.13713	12.7
79.05492	65.9
81.03401	51.3
81.07056	50.8
83.04962	27.8
83.08610	43.8
86.09696	37.5
90.38606	12.8
91.05479	85.2
93.07030	47.4
95.04964	48.9
95.08591	60.7
97.06519	43.0
97.10174	19.1
100.11249	33.3
103.55721	14.0
105.07016	52.4
107.04958	29.3
107.08594	56.4
109.02865	50.3
109.06521	33.2
109.10151	33.7
111.08030	14.8
115.05532	16.3
117.06986	19.5
119.08588	21.3
121.06483	29.8
121.10144	20.9
129.07007	22.6
131.04929	16.3
131.08543	29.1
133.10109	22.9
135.08015	25.0
137.09627	24.6
145.06462	21.8
145.10095	23.0
149.05923	22.6
157.10233	12.3
159.56017	13.0
163.03838	26.1
163.07579	65.4
164.07918	15.3
167.07060	14.4
175.07468	17.7
181.08568	43.5
189.74603	14.5
201.12341	24.4
227.17831	14.5
246.95226	13.1
280.10336	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Broussonetine N
Peak:m/z	Relative Intensity
55.01858	1.2
55.05509	2.4
56.05032	2.9
56.35238	0.8
60.04540	1.1
64.63990	0.6
65.03937	0.8
67.05508	5.5
68.05028	2.1
69.03429	1.0
69.07058	2.4
70.06592	13.8
71.04977	0.7
71.17068	1.3
72.08160	0.9
79.05487	7.8
80.05012	2.5
81.07059	7.2
82.06580	5.1
83.04999	0.8
84.08154	1.4
84.96024	0.7
88.03986	2.3
91.05468	5.1
93.07042	6.9
94.06586	1.1
95.04951	3.0
95.08600	4.3
96.08119	2.9
97.06525	0.9
98.97572	0.7
105.07002	4.4
107.04961	1.3
107.08587	2.8
108.08106	1.7
109.06509	1.1
109.10200	1.7
110.09689	8.1
117.06985	1.1
119.08565	3.5
121.06506	1.4
121.10151	1.8
122.09651	1.3
123.04443	2.1
123.08062	0.8
124.11227	4.2
128.07071	12.3
128.10707	4.0
131.08549	3.1
133.10123	2.4
135.08084	0.8
138.62447	0.7
139.11055	1.0
145.10110	1.7
147.08112	1.1
147.11679	1.1
161.13191	0.9
163.11226	0.7
205.76494	0.7
218.19080	1.4
219.96539	0.6
220.20601	12.4
222.18492	8.9
236.20126	2.4
246.18526	7.7
264.19586	9.5
265.20010	1.1
269.17651	0.7
280.22742	4.8
282.20636	38.8
283.20889	1.2
293.09256	0.8
293.67383	0.7
298.23764	2.4
300.21600	5.1
306.20602	2.3
324.21762	5.5
324.25241	1.2
342.22739	30.8
343.22925	1.6
360.23798	100.0
361.24240	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27967	2.0
55.01862	2.6
55.05516	3.3
56.96568	2.6
57.03419	4.7
67.05488	8.2
69.03411	2.2
69.07059	2.8
70.45496	1.9
71.04986	2.1
78.33482	1.9
79.05484	8.3
81.03407	7.1
81.07050	9.4
81.86251	2.0
83.04958	2.5
83.08588	3.6
85.02872	2.2
87.56356	2.0
91.05465	8.7
92.64299	2.6
93.07027	7.2
95.04941	6.2
95.08581	5.0
97.02879	2.6
97.06519	3.0
97.10204	3.2
105.07019	12.6
107.04971	2.6
107.08583	4.5
109.02845	2.2
109.06512	100.0
109.07261	5.0
109.10162	5.6
111.04411	2.6
113.05993	2.5
117.07005	4.6
119.08497	3.5
121.06504	3.5
121.10187	3.2
123.08047	8.6
125.09639	2.7
129.07112	2.3
131.08597	3.3
133.06453	3.0
133.10126	5.1
145.10120	2.8
149.05923	3.9
159.08034	8.2
161.09627	2.4
163.07535	43.4
173.05916	2.6
175.07570	5.3
175.68689	2.2
181.08594	23.3
189.09116	6.3
201.69612	2.1
206.97517	2.3
253.15866	3.9
265.23819	2.2
271.16867	4.0
286.04193	3.4
289.17905	5.6
307.19012	3.8
308.46732	2.5
343.15302	6.1
360.11215	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01849	5.7
56.02617	2.6
56.05031	31.9
56.96555	4.7
57.03427	6.0
61.02929	5.3
61.59407	2.4
62.06095	5.5
66.63756	2.3
68.05053	2.6
69.03435	22.2
70.02984	14.3
70.06589	13.4
71.04987	2.6
72.08146	8.6
73.02901	3.9
74.06079	2.7
81.03426	6.8
84.04483	6.5
84.08147	15.1
85.02896	36.5
86.09692	6.2
87.04459	4.6
94.44868	2.1
96.04475	6.4
96.08122	2.9
97.02368	2.1
97.02895	15.3
98.97573	5.5
99.04428	3.7
105.07018	2.4
106.06535	5.8
109.02869	4.1
110.06049	4.6
110.09680	2.8
116.98615	6.4
119.01859	5.5
122.06014	11.2
124.07584	5.6
127.03957	11.6
129.10234	6.8
130.08652	2.5
131.01903	4.1
132.08092	2.9
134.05002	2.8
134.06006	44.6
134.09625	3.1
134.14334	2.5
135.04388	5.5
136.07550	5.9
138.05469	3.5
138.09131	3.3
139.05017	8.6
140.07043	7.5
145.04977	6.0
147.07578	2.5
150.09131	100.0
151.09470	48.9
152.07050	15.0
152.09744	34.5
152.10785	4.5
162.05504	18.9
162.09169	4.4
163.03983	7.2
163.05998	2.4
178.06259	4.1
178.08626	50.8
179.09012	18.6
180.06570	25.9
180.09019	25.9
181.04910	3.3
188.48735	2.6
189.00645	2.4
196.09686	82.9
197.10037	47.4
198.05910	4.3
198.07597	65.9
198.10185	52.4
198.11481	18.9
198.14880	5.6
219.01718	3.8
221.05260	2.3
223.07156	9.2
237.02721	2.9
245.05052	2.6
262.07251	2.5
270.10812	7.0
280.12057	2.3
295.06958	2.9
324.11932	3.1
360.12268	19.9
360.16916	25.4
360.20538	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.7
57.03425	5.6
57.07076	100.0
59.14347	4.2
64.66854	4.1
67.05498	29.4
69.07060	20.3
70.18841	13.8
70.19237	8.3
71.08631	75.4
78.90365	4.7
81.07055	41.4
83.08616	20.3
85.10187	37.1
88.07606	6.5
89.06018	5.4
93.07032	5.9
95.08604	57.8
97.10185	24.1
109.10183	31.2
111.11745	10.3
119.08635	4.5
123.11694	17.0
137.13226	5.3
142.01265	5.1
159.59676	4.8
207.04797	4.3
223.74713	4.8
267.26859	8.1
285.27902	6.2
302.58109	4.8
320.04514	5.2
341.30505	50.7
356.17755	5.1
359.37180	59.1
364.55453	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01871	7.2
55.05510	24.0
57.03439	22.3
57.07076	10.6
66.94447	3.5
67.05509	29.8
68.34505	4.0
69.03429	7.8
69.07067	34.7
70.06577	3.6
71.04202	11.3
71.04978	7.9
79.05507	19.8
81.03404	9.4
81.07053	100.0
83.04966	7.6
83.08643	7.7
85.06575	9.3
91.05472	14.2
93.07037	39.1
95.04947	6.7
95.08606	67.6
95.09180	7.6
96.08093	4.0
97.06543	8.8
97.10184	18.7
99.08073	4.6
105.06988	18.5
107.04922	7.1
107.08591	40.3
109.02875	9.8
109.06489	6.0
109.10148	26.5
111.08099	15.9
111.11748	5.7
117.06973	4.8
119.08587	17.4
121.06463	7.4
121.10159	28.6
123.04434	8.8
123.11699	47.2
125.09614	7.8
131.04904	4.3
131.08543	5.1
133.06424	6.2
133.10092	10.3
135.11685	17.1
137.05986	9.7
137.13251	11.8
139.11166	11.2
143.08542	6.4
145.06500	5.2
145.10149	6.7
147.04417	5.4
149.09669	4.7
149.13239	37.6
151.03844	4.6
155.08546	5.8
157.10136	4.8
157.12259	6.3
159.08188	4.4
159.11703	5.9
161.06013	10.6
161.13348	5.2
163.11234	5.0
163.14795	9.0
171.08020	5.2
175.14809	5.7
177.05443	4.9
187.13326	11.9
191.03452	7.1
197.11607	4.2
215.10991	3.8
253.08682	7.7
269.07993	9.0
287.23349	5.0
305.24573	19.4
309.11240	9.6
313.10724	5.7
322.43878	4.3
323.25809	7.1
341.13904	12.0
359.11203	6.4
359.14990	6.8
376.70526	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94479	1.1
54.49898	1.3
55.01868	1.6
65.03950	1.3
65.94969	1.2
67.05496	2.6
69.03425	4.0
69.07085	2.2
70.06586	1.7
70.61823	4.2
73.02936	1.3
79.05478	3.9
79.29974	1.2
81.03407	2.4
81.07056	3.8
85.02903	9.8
86.09714	8.3
91.05476	8.9
93.07065	8.1
95.04984	3.6
95.08610	3.2
97.02877	3.4
99.04438	2.2
105.06427	1.8
105.07005	8.0
107.08592	34.9
109.02879	1.7
109.06489	2.5
109.10152	3.8
117.07084	2.0
119.04930	5.8
119.08581	6.4
121.10151	4.1
123.08095	1.3
127.03950	2.0
131.08534	1.3
133.10120	20.4
137.05969	2.3
139.07550	2.0
145.05048	2.0
145.06319	1.4
147.04398	11.2
149.09602	4.5
150.06223	1.4
151.07521	1.6
151.11169	7.7
161.05919	1.7
161.09639	4.7
163.03951	2.2
165.05475	6.1
167.07025	1.3
167.10690	14.2
170.57753	1.3
179.07039	24.0
179.10622	15.7
197.06332	2.0
197.08063	14.8
197.11723	100.0
200.13953	3.0
214.03618	1.3
271.05978	3.7
273.11594	1.4
313.07101	2.4
341.09845	1.8
360.23907	2.2
380.12827	1.8
383.16476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03441	2.6
61.02922	2.3
61.52271	1.5
69.03420	9.0
70.73550	3.1
79.05480	2.6
81.03418	2.5
81.07055	3.1
85.02897	29.0
86.09705	2.2
91.05480	3.5
93.07053	7.7
95.04942	1.8
97.02890	6.8
105.07013	6.8
107.08566	18.0
109.06522	2.7
109.10153	2.3
119.08580	4.0
121.06525	2.9
127.03941	4.7
133.10124	20.8
135.11685	21.2
137.05983	2.9
161.09651	11.8
179.10666	36.0
197.11726	100.0
198.12137	1.9
260.12308	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Jamesoniellide I
Peak:m/z	Relative Intensity
53.03947	0.9
55.01880	1.0
55.05507	0.8
57.03424	0.6
62.90883	0.6
67.05497	1.1
69.03391	0.7
69.54745	0.9
69.55145	4.0
79.05490	5.4
79.50946	0.6
81.03418	1.0
81.07044	2.3
85.02924	0.7
90.33920	0.6
91.05493	3.2
91.68150	0.6
93.07072	1.2
95.04973	1.2
95.08582	1.3
103.05457	4.9
105.07034	15.7
107.04959	1.6
107.08601	0.8
109.02810	0.7
109.06542	0.9
115.05424	1.2
117.07017	1.5
119.04936	0.9
119.08574	0.9
120.05679	0.7
121.06494	0.9
121.10113	0.8
123.04424	2.6
123.08038	1.0
128.06209	1.0
129.06985	1.9
131.04901	1.9
131.08553	1.1
133.06509	3.7
133.10092	0.5
135.04405	1.4
135.08043	1.3
137.02405	0.6
137.05986	1.2
141.06987	0.8
144.05687	1.0
145.06471	2.2
147.04398	1.3
149.05963	1.0
149.09554	0.7
151.07579	0.8
157.06532	1.2
158.07303	0.9
159.08081	1.2
161.05928	0.8
161.09576	1.1
163.07542	100.0
164.07899	1.7
165.05487	1.7
167.06911	0.7
171.08075	0.8
173.05856	0.9
173.09659	0.7
174.06786	1.1
175.07524	0.9
177.09103	0.7
181.08597	56.3
189.09109	10.4
191.07040	2.6
205.08643	1.0
207.10141	2.9
211.14719	0.6
252.28160	0.6
323.12863	2.5
341.13828	17.3
359.14737	0.9
368.70099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.05508	1.2
67.05499	3.1
68.99773	3.3
69.07063	19.1
71.57831	1.1
78.04639	0.6
78.88466	0.6
79.05493	1.6
81.07051	3.5
83.08628	1.0
91.05474	1.9
93.07041	2.0
95.04955	1.3
95.08591	1.3
103.05502	0.8
105.03428	1.2
105.07014	2.2
107.04958	0.7
107.08585	1.9
109.06494	0.9
109.10138	1.3
114.09081	0.6
115.05457	0.9
117.07011	2.1
119.08543	1.4
121.10146	1.1
123.04436	0.9
129.07002	0.7
131.04935	5.7
131.08595	0.7
133.06502	0.7
133.10135	0.7
135.11690	0.8
137.05969	1.6
137.99486	0.5
141.06966	0.7
145.06508	0.9
145.10072	1.5
147.04361	3.6
147.07985	0.8
147.11697	0.9
155.04929	0.9
157.10088	0.8
157.85065	0.7
159.04404	9.3
161.09662	0.8
167.03378	0.6
171.08032	0.9
173.05983	1.7
173.09650	0.7
175.03886	10.1
175.11069	0.7
187.03894	10.2
188.04472	0.6
197.11688	0.7
199.03847	0.7
199.11240	0.6
201.05461	5.0
203.03342	2.9
215.03346	0.7
229.04944	15.2
230.05687	1.1
243.10132	1.7
245.04417	22.1
257.04428	100.0
258.04980	5.6
265.47290	0.6
269.04520	0.7
271.05911	0.7
273.03882	7.8
275.05429	1.1
277.23569	0.9
295.09766	0.7
295.24509	0.7
295.76099	0.6
313.10672	44.0
314.11035	1.5
323.09149	0.8
323.24118	1.5
341.17630	1.1
341.25082	2.0
359.22147	1.0
359.26160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	26.4
70.75182	31.7
76.47300	11.3
88.15543	10.4
91.00423	11.0
94.22308	9.8
97.02895	20.2
98.97565	67.4
116.98604	89.9
119.01919	17.9
134.99660	100.0
137.03044	16.4
153.00719	29.0
172.94377	20.8
174.97681	11.6
177.00978	38.1
179.00812	16.8
183.53493	10.3
190.95427	44.4
192.98709	18.3
195.62921	10.2
199.97388	11.0
208.96451	28.1
216.98752	33.9
219.01936	54.8
221.01794	14.1
232.96426	55.9
234.99759	76.0
236.48271	10.7
250.97548	74.6
252.97234	35.6
256.96561	11.1
258.99765	40.1
261.00168	15.9
261.03079	40.2
262.03284	14.5
263.02789	35.6
268.95010	13.7
274.97632	54.9
276.98013	20.4
277.00778	65.3
278.00992	12.9
279.00952	32.0
279.51617	11.1
292.95261	17.1
292.98566	26.2
293.95834	11.2
298.97772	29.3
301.01007	25.5
303.00854	28.4
316.95041	30.2
316.98856	94.8
317.99158	16.5
318.98816	20.6
334.96136	58.3
340.98917	20.1
358.99719	65.1
376.97220	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	11.4
57.78698	10.1
67.05503	54.0
69.07072	95.6
69.95671	31.0
69.96079	23.2
71.04987	21.7
79.05495	64.9
81.03418	26.4
81.07051	66.0
85.06538	19.1
91.05469	62.7
93.07034	56.2
95.04937	55.3
95.08587	34.5
97.06520	100.0
98.20779	10.4
105.07007	37.5
107.04957	13.8
107.08582	36.5
109.06520	25.3
109.10110	14.1
113.05878	10.1
114.09099	9.8
115.07552	20.1
117.07030	25.4
119.08554	30.5
129.07059	17.1
131.08553	21.9
133.06500	12.5
133.10100	25.6
135.08081	12.9
135.11668	12.2
145.10114	23.6
147.08057	18.1
147.11707	19.1
149.05991	12.7
149.09537	13.1
149.13312	15.7
159.11696	23.0
169.81686	9.9
259.54312	12.0
276.55826	9.9
277.86694	9.1
335.18781	15.6
358.20459	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90952	12.3
55.05505	63.9
56.81551	11.9
57.03442	16.2
57.07059	29.2
62.87199	12.6
67.05492	91.5
69.07054	56.2
70.07404	11.7
70.49254	46.4
71.04993	12.2
71.08598	22.4
79.05480	58.9
81.07058	86.1
81.24322	12.7
83.08606	37.6
84.04486	100.0
86.55232	12.6
87.04490	20.8
91.05476	55.1
93.07045	60.9
95.04951	14.9
95.08604	56.9
97.06547	27.8
97.10181	57.1
98.21465	14.0
102.05544	37.5
105.07033	58.6
107.08598	58.2
109.06529	14.0
109.10149	31.0
111.08105	17.1
112.99944	18.0
117.07022	13.3
119.08592	28.1
121.10090	25.4
123.11717	15.3
125.09637	37.7
126.44745	15.8
130.04959	73.4
131.08571	24.0
133.10155	15.0
143.08470	13.5
145.10149	18.9
147.11664	20.3
148.06036	73.0
159.11691	17.4
165.12703	19.7
203.12773	23.1
244.25237	13.0
263.85147	12.3
275.19998	47.8
358.33145	16.0
358.36737	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09519	10.8
55.05502	18.6
56.96552	13.2
64.58820	10.6
67.05502	56.4
69.07056	25.9
69.53078	100.0
71.04990	21.9
79.05489	30.1
81.07043	29.0
83.08646	12.6
87.04440	12.9
91.05474	18.1
93.07053	28.5
95.04974	33.8
95.08594	26.4
98.20756	24.0
99.08093	47.2
105.07018	34.6
107.08578	20.1
109.06528	12.0
109.10153	13.9
114.75728	11.7
119.08568	13.7
121.10105	17.2
123.08087	15.2
124.84084	11.0
131.08534	12.2
135.08112	13.1
145.10197	15.3
147.08052	25.0
148.94337	12.9
155.29771	12.4
160.99841	14.5
163.11221	22.2
171.11659	13.1
273.18390	22.5
291.19601	36.7
335.20593	27.4
358.22910	15.6
358.26953	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32389	0.4
59.62845	0.5
67.05490	0.5
69.03439	0.6
70.06582	0.9
70.43133	1.6
80.03117	0.4
85.02892	1.1
86.06063	1.5
87.04434	0.5
97.02884	0.6
108.08107	0.6
110.06049	1.9
110.19919	0.5
114.05476	0.5
122.06030	4.1
123.06823	0.7
136.07611	0.6
149.13918	0.4
150.09135	68.4
151.09464	1.0
178.08635	39.0
178.87286	0.5
179.09003	0.7
196.09685	100.0
197.09969	2.0
215.28664	0.5
245.11131	0.6
301.04288	0.5
316.68457	0.5
358.08859	1.7
358.15488	4.0
358.25458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1496
Annotation	Bakankoside
Peak:m/z	Relative Intensity
56.83741	0.4
56.96572	0.6
69.03434	1.2
70.06579	0.5
70.19241	1.7
71.92098	0.4
73.23141	0.4
81.03380	0.5
84.08145	0.5
85.02904	1.7
90.50188	0.4
97.02878	1.3
98.97549	1.0
107.04943	1.1
108.08136	0.5
110.06013	0.4
116.98660	0.7
122.06041	3.2
123.06853	1.4
127.33544	0.4
136.07552	0.9
148.07555	0.7
150.09135	64.0
151.09453	1.1
152.07024	0.8
163.03897	0.5
178.08632	43.7
179.08995	0.7
196.09685	100.0
197.10130	2.0
200.20631	0.4
213.60388	0.4
219.01726	0.5
221.31743	0.4
237.02682	0.7
358.11020	0.3
358.14923	5.0
369.10568	0.4
381.20462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2785
Annotation	Nisinic acid
Peak:m/z	Relative Intensity
55.05504	18.2
55.84224	1.8
56.96557	10.6
57.07069	3.9
67.05499	30.1
69.07063	17.7
69.64450	1.8
71.04980	1.9
71.38560	2.8
71.95285	2.3
79.05486	26.1
81.07050	28.7
83.08618	7.6
91.05450	22.7
93.07038	26.1
95.08598	31.0
96.45509	1.9
96.91700	1.9
97.06536	2.5
97.10162	5.9
101.71872	1.9
105.07034	32.1
107.08591	23.0
109.06517	3.3
109.10156	10.2
110.97598	2.4
115.05487	3.2
117.07017	50.2
119.08582	25.6
121.10152	9.4
123.11708	5.1
128.98647	2.2
129.06999	9.7
130.07822	2.1
131.08571	49.1
133.10132	14.2
135.11684	7.0
143.08525	11.0
144.09331	3.4
145.10123	57.8
146.99615	7.2
147.11658	8.0
149.13252	4.5
155.08490	2.5
157.10100	12.1
159.11682	40.8
160.12372	2.4
161.13257	5.8
166.20476	2.5
169.10127	2.4
171.11630	14.4
173.13255	36.4
175.14857	3.9
183.11729	3.2
185.13287	8.0
187.14784	18.6
197.13284	2.6
199.14955	4.1
201.16299	9.9
209.13211	2.6
213.16347	4.8
215.17915	8.3
225.16435	2.4
227.17873	2.2
229.19647	4.5
237.18253	2.1
249.18440	3.3
260.44217	2.0
270.57343	1.9
273.18292	2.1
275.19678	2.9
287.20084	6.1
289.21457	2.8
297.22202	4.4
301.21381	2.4
315.23288	3.8
316.16644	6.8
321.25439	2.0
333.17130	2.6
334.17703	28.7
339.26852	10.6
351.18585	2.6
352.18643	9.7
357.19391	6.5
357.27866	100.0
358.28299	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	12.0
55.01867	14.8
55.05502	27.9
56.94650	5.9
57.03428	9.6
57.07051	11.7
67.05495	47.5
67.66746	6.6
69.03427	23.2
69.07070	53.1
69.84819	5.7
71.04987	12.0
79.05486	43.7
81.03419	17.1
81.07055	96.2
83.04982	21.3
83.08615	20.5
85.02897	10.7
85.06544	10.2
86.09666	5.3
91.05437	41.8
93.07030	46.3
95.04967	28.8
95.08599	49.9
97.02906	5.8
97.06516	18.7
97.10155	46.0
99.04478	7.6
99.08125	7.6
99.53101	6.6
103.05451	12.1
105.07028	41.0
107.04945	90.2
107.08580	44.5
108.02000	6.7
109.02843	13.2
109.06496	38.0
109.08449	7.5
109.10146	35.2
111.04437	12.2
111.08073	16.9
111.11731	8.5
115.05479	6.9
117.07034	13.2
119.04918	10.6
119.08598	33.8
121.06490	16.7
121.10137	29.4
123.04398	18.3
123.08073	13.9
123.11677	35.8
125.05945	8.5
125.09589	10.0
127.03881	10.6
129.06947	6.5
131.04929	8.9
131.08565	16.1
133.06494	7.5
133.10129	21.2
135.04422	19.0
135.08044	15.6
135.11678	24.3
135.20955	5.9
137.02295	9.1
137.05972	100.0
137.13274	7.7
139.07549	8.6
139.11182	24.1
143.08592	7.9
145.06479	9.8
145.10118	14.2
147.04420	14.5
147.07985	10.0
147.11662	15.0
149.05963	22.8
149.09610	10.7
151.03888	23.5
151.07584	12.7
151.11255	8.2
153.12756	9.2
157.10132	14.1
157.12296	14.7
160.05275	9.2
161.02364	12.9
161.05960	14.2
161.09599	10.9
163.03896	8.0
163.07506	47.6
165.05502	17.8
165.12776	9.4
167.03421	19.6
167.07048	14.4
172.03937	18.8
173.06029	10.2
175.07492	14.2
177.05472	16.1
181.05003	10.3
181.06480	10.0
187.07588	7.9
189.09161	11.1
191.07010	8.7
195.80080	6.3
203.06931	57.5
204.06459	33.9
207.08150	12.8
207.10175	26.5
218.07254	8.7
219.08182	11.2
221.08118	31.1
233.11761	16.0
233.91669	6.8
235.07454	14.3
237.09274	8.5
247.07555	9.9
251.06963	9.4
251.12767	18.8
285.14713	8.1
289.08435	7.7
303.16147	9.8
303.23193	16.9
307.09650	24.1
309.11124	7.3
321.24228	22.4
325.10648	11.2
339.12314	14.8
357.13327	59.3
357.16977	12.6
357.27972	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12453	4.7
53.03929	8.2
55.01888	4.8
55.05506	16.4
57.07063	8.8
58.66427	4.8
59.57853	4.6
61.47737	4.3
67.05500	39.9
69.03420	16.1
69.07076	33.9
69.27837	58.2
71.04971	5.5
76.77529	5.1
79.05487	23.4
81.03403	9.3
81.07060	100.0
83.08598	14.2
85.06523	20.0
86.09709	5.4
91.05477	17.6
93.07037	63.4
95.04955	15.1
95.08599	81.6
97.06521	13.1
97.10157	6.5
99.08066	6.9
102.69396	6.3
103.05441	5.9
105.07014	24.9
107.04948	17.8
107.08573	37.5
109.06529	5.8
109.10165	40.4
111.08088	21.0
114.09191	9.2
119.08592	33.2
121.10116	32.6
123.04412	9.0
123.08067	21.2
123.11688	65.5
125.09653	9.7
131.67308	5.9
133.10117	16.4
135.11671	26.6
137.05959	15.4
137.09634	25.5
137.13220	10.9
139.07541	21.6
139.11191	6.9
144.04399	5.2
145.10088	11.5
147.11685	16.5
149.02316	7.1
149.06012	6.0
149.09610	5.0
149.13290	11.8
151.11168	21.1
153.05585	6.1
155.14223	7.6
157.10126	8.1
159.11702	14.7
160.92799	5.9
161.02284	5.3
161.13255	13.8
165.09126	15.1
167.03444	9.1
167.10666	34.1
169.12251	8.8
172.03947	6.7
173.13164	6.0
179.10648	6.6
181.06471	6.8
183.10036	9.5
185.11862	5.5
189.90541	6.1
203.07028	16.2
204.06595	15.3
218.66151	7.4
219.08020	5.2
220.97299	5.7
221.08063	34.8
251.13176	5.3
253.08569	6.2
291.23126	11.2
303.23175	15.4
321.24142	8.9
339.12256	9.9
357.13303	19.6
358.13657	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.8
55.05506	17.7
57.07060	8.8
63.18314	3.2
65.03946	6.2
67.05505	35.0
68.99762	3.9
69.03419	11.2
69.07072	26.0
70.06583	4.7
71.05008	5.3
71.58273	3.0
71.58733	6.5
79.05493	35.6
79.05918	4.9
81.03414	7.7
81.07060	100.0
83.04989	16.1
83.08637	6.1
85.02915	4.2
85.06540	88.1
86.06886	4.8
86.09708	18.3
91.05441	22.8
93.07047	64.4
95.01366	3.7
95.04955	7.5
95.08605	63.5
97.06541	12.7
97.10177	5.8
99.08096	25.4
101.06007	24.3
105.07028	34.5
106.04286	3.4
107.04941	9.1
107.08598	51.4
109.02892	6.9
109.06529	8.1
109.10155	48.8
111.04396	3.6
111.08078	50.1
111.11724	4.1
113.09632	8.2
113.17783	3.2
115.05466	3.0
115.07588	5.5
116.10750	3.8
117.07066	3.9
119.04927	3.2
119.08596	20.4
121.02876	3.7
121.06528	7.1
121.10147	45.0
123.04427	8.1
123.08051	7.6
123.11726	28.3
125.05975	4.0
125.09633	10.5
127.03894	6.1
129.05489	11.6
129.09135	4.3
131.08583	6.8
133.10139	19.0
134.62331	3.7
135.04446	4.5
135.08037	4.0
135.11702	18.9
137.02347	9.4
137.06001	24.0
137.09607	3.4
137.13295	4.3
139.03931	4.8
139.11192	3.6
141.06989	3.6
143.08614	5.7
145.06425	4.0
145.10150	11.9
147.08052	4.8
147.11684	11.8
149.09627	4.2
149.13269	46.4
151.03889	5.4
151.07541	4.0
151.11205	4.5
153.12804	4.6
155.08479	4.7
157.12199	4.4
159.08104	3.8
159.11708	10.0
160.05217	4.3
161.02271	3.3
161.06020	8.8
161.13271	14.8
163.14810	13.3
165.09096	4.1
167.03409	13.6
167.07080	4.7
167.14319	7.0
172.03928	10.1
173.05971	4.6
173.13327	5.6
175.14737	4.7
177.05554	3.9
177.16403	6.3
179.08476	4.5
179.14337	3.5
185.05963	4.1
195.08189	5.1
195.10225	4.0
195.17390	5.3
197.15424	9.0
201.16524	4.7
203.07066	19.0
204.06549	11.8
205.08603	4.3
211.17003	4.6
217.19760	4.1
219.08139	4.7
221.06172	5.0
221.08014	20.0
223.07678	4.0
225.14865	13.0
226.06218	4.5
229.15768	4.7
235.07545	7.5
237.08946	4.5
241.08690	9.1
245.15717	5.1
247.07507	4.0
257.04517	8.9
267.06488	4.0
275.23676	5.9
279.10062	5.7
281.08102	7.3
283.06055	6.9
283.09778	3.5
293.24536	5.3
296.06744	4.7
303.23163	6.5
311.09048	34.3
321.24246	13.9
325.10510	4.7
339.08603	7.9
339.12451	5.0
339.25208	22.6
357.09567	5.4
357.13373	14.0
357.17709	6.1
357.26303	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01846	3.8
55.05509	19.4
57.07067	10.2
62.98037	4.0
67.05503	40.7
69.03425	15.5
69.07067	44.9
71.05013	5.8
71.58878	6.8
79.05486	23.7
81.03387	7.9
81.07053	100.0
83.04987	5.1
83.08617	10.0
85.02884	5.6
85.06528	22.1
90.25819	3.7
91.05482	14.5
93.07044	58.0
95.04959	11.9
95.08598	97.0
97.06544	23.5
97.10159	7.5
99.04443	5.1
99.08067	7.1
101.06119	4.1
105.07015	27.9
107.04978	17.2
107.08591	45.8
109.02892	4.5
109.06486	8.2
109.10158	43.1
111.08073	28.3
113.05971	5.7
114.09140	8.2
117.07062	4.7
119.08559	23.8
121.06486	4.4
121.10133	34.0
123.04420	6.0
123.08069	23.1
123.11691	75.1
125.09623	16.8
131.08551	9.8
133.10089	20.1
135.11667	29.8
137.05972	13.4
137.09610	22.4
137.13243	9.1
139.07495	24.8
139.11171	4.5
141.09059	5.2
145.10150	8.8
147.11676	14.5
149.02348	4.9
149.09610	6.9
149.13284	8.3
151.11205	26.4
153.12775	7.9
155.10634	6.0
155.14301	5.0
157.10165	4.6
159.11691	10.5
161.13264	18.2
162.05452	4.6
163.14807	6.7
163.31377	3.8
165.09149	15.1
165.12808	4.9
167.03403	11.2
167.07071	5.9
167.10643	36.4
169.12202	10.1
171.11743	4.0
172.03873	5.8
173.13280	6.4
176.24803	4.0
179.10686	3.8
185.11685	6.9
187.14857	4.3
190.85387	3.9
200.59196	3.7
203.07053	10.4
204.06543	12.5
207.08049	6.0
215.17973	6.5
221.06245	4.2
221.08040	25.1
233.19127	6.1
235.17001	4.8
239.31540	4.5
253.08708	6.0
267.91708	4.0
281.08157	7.6
291.23096	13.1
303.23184	21.9
309.24277	5.4
321.24274	16.9
325.10794	5.6
339.08630	6.6
357.13318	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01861	12.8
55.05307	3.5
55.05511	40.9
57.03420	3.7
59.04984	14.0
65.03918	6.0
67.05497	51.6
69.03416	16.0
69.07065	28.3
69.97459	2.9
70.60275	10.5
71.04993	5.1
79.05485	45.1
81.03400	10.4
81.07055	56.7
83.04979	8.1
83.08601	9.5
85.02888	6.8
85.06535	4.4
85.11854	3.4
91.05456	49.4
92.31819	3.7
93.07036	44.0
95.04972	37.6
95.08595	43.3
97.06527	14.2
97.10162	15.7
98.20892	3.8
103.05465	10.6
105.03368	6.6
105.07027	24.8
107.04961	28.8
107.08585	23.7
109.02869	7.2
109.06538	29.1
109.10110	18.8
111.04428	5.2
111.08060	6.5
113.05985	4.0
115.05444	5.9
116.98615	3.4
117.07013	15.4
119.04916	26.4
119.08576	24.1
121.02946	3.6
121.06510	38.1
121.10136	12.5
122.03645	5.4
123.04440	7.7
123.08064	22.3
123.11703	3.6
125.06071	4.0
125.09615	13.2
127.03914	8.4
128.06190	4.6
129.06999	9.6
131.04912	7.1
131.08571	16.9
133.02827	4.6
133.06471	10.3
133.10129	11.4
135.04387	7.8
135.08040	21.0
135.11667	4.7
137.02335	6.3
137.04990	6.7
137.05972	65.7
137.09621	11.2
137.67894	3.5
139.07542	7.2
141.05415	5.0
141.07008	6.4
143.04819	4.8
143.08568	11.6
145.06496	14.0
145.10101	12.4
147.04395	51.8
147.08046	10.6
147.11694	6.9
148.04745	5.3
149.02357	13.2
149.05952	35.0
149.09607	7.7
151.03880	6.5
151.07498	15.6
153.09081	6.3
155.08557	5.7
157.10080	6.9
159.08058	17.1
159.11681	9.8
161.02341	26.3
161.05969	14.7
161.09605	8.5
163.03886	3.3
163.07536	17.9
165.05476	19.4
165.06749	4.0
165.09073	6.8
167.03397	47.3
167.07040	7.5
167.10690	13.9
169.10104	5.5
170.13663	3.3
171.08148	4.6
172.03925	10.8
173.04614	3.6
173.05992	15.5
173.09639	6.5
173.13261	5.8
175.07556	15.7
175.11188	5.0
177.05455	13.8
177.09064	8.0
179.03427	7.2
179.07037	14.6
179.08540	6.4
181.06465	4.5
183.08006	8.6
187.03963	4.7
187.07468	9.6
187.11311	5.7
187.14761	3.9
189.09174	5.4
191.07030	22.2
193.08525	4.1
194.07118	4.0
195.08089	4.5
197.05908	6.1
201.09032	5.5
203.07050	41.5
204.06546	8.2
207.10159	5.1
211.14896	4.3
215.14340	6.5
219.08084	7.8
221.05981	9.3
221.08058	75.6
221.11543	7.0
223.07565	4.5
225.09135	4.5
229.12473	4.7
229.15923	10.1
233.15349	10.8
234.06749	4.3
235.07430	6.3
239.06984	6.3
239.14287	7.7
243.13818	4.5
247.07515	5.3
247.16977	7.8
249.09116	4.0
249.12282	3.4
251.10716	3.4
253.08603	5.7
257.15356	25.8
261.14865	34.8
263.07037	14.6
267.06604	30.9
267.09317	5.4
267.13724	6.2
269.04398	3.5
275.16397	47.2
281.08044	57.6
283.06369	6.2
283.09592	3.4
285.07635	3.7
285.14819	90.5
289.08698	4.8
293.17374	20.3
295.09518	5.2
303.15860	100.0
304.16306	4.6
307.09723	6.2
309.11362	8.3
311.05634	6.5
311.12805	4.6
321.11084	4.5
321.16968	19.0
325.10803	4.1
327.12268	6.9
339.12405	23.3
339.16010	3.9
339.18240	6.7
357.09790	6.7
357.13278	21.7
357.16956	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01861	12.8
55.05307	3.5
55.05511	40.9
57.03420	3.7
59.04984	14.0
65.03918	6.0
67.05497	51.6
69.03416	16.0
69.07065	28.3
69.97459	2.9
70.60275	10.5
71.04993	5.1
79.05485	45.1
81.03400	10.4
81.07055	56.7
83.04979	8.1
83.08601	9.5
85.02888	6.8
85.06535	4.4
85.11854	3.4
91.05456	49.4
92.31819	3.7
93.07036	44.0
95.04972	37.6
95.08595	43.3
97.06527	14.2
97.10162	15.7
98.20892	3.8
103.05465	10.6
105.03368	6.6
105.07027	24.8
107.04961	28.8
107.08585	23.7
109.02869	7.2
109.06538	29.1
109.10110	18.8
111.04428	5.2
111.08060	6.5
113.05985	4.0
115.05444	5.9
116.98615	3.4
117.07013	15.4
119.04916	26.4
119.08576	24.1
121.02946	3.6
121.06510	38.1
121.10136	12.5
122.03645	5.4
123.04440	7.7
123.08064	22.3
123.11703	3.6
125.06071	4.0
125.09615	13.2
127.03914	8.4
128.06190	4.6
129.06999	9.6
131.04912	7.1
131.08571	16.9
133.02827	4.6
133.06471	10.3
133.10129	11.4
135.04387	7.8
135.08040	21.0
135.11667	4.7
137.02335	6.3
137.04990	6.7
137.05972	65.7
137.09621	11.2
137.67894	3.5
139.07542	7.2
141.05415	5.0
141.07008	6.4
143.04819	4.8
143.08568	11.6
145.06496	14.0
145.10101	12.4
147.04395	51.8
147.08046	10.6
147.11694	6.9
148.04745	5.3
149.02357	13.2
149.05952	35.0
149.09607	7.7
151.03880	6.5
151.07498	15.6
153.09081	6.3
155.08557	5.7
157.10080	6.9
159.08058	17.1
159.11681	9.8
161.02341	26.3
161.05969	14.7
161.09605	8.5
163.03886	3.3
163.07536	17.9
165.05476	19.4
165.06749	4.0
165.09073	6.8
167.03397	47.3
167.07040	7.5
167.10690	13.9
169.10104	5.5
170.13663	3.3
171.08148	4.6
172.03925	10.8
173.04614	3.6
173.05992	15.5
173.09639	6.5
173.13261	5.8
175.07556	15.7
175.11188	5.0
177.05455	13.8
177.09064	8.0
179.03427	7.2
179.07037	14.6
179.08540	6.4
181.06465	4.5
183.08006	8.6
187.03963	4.7
187.07468	9.6
187.11311	5.7
187.14761	3.9
189.09174	5.4
191.07030	22.2
193.08525	4.1
194.07118	4.0
195.08089	4.5
197.05908	6.1
201.09032	5.5
203.07050	41.5
204.06546	8.2
207.10159	5.1
211.14896	4.3
215.14340	6.5
219.08084	7.8
221.05981	9.3
221.08058	75.6
221.11543	7.0
223.07565	4.5
225.09135	4.5
229.12473	4.7
229.15923	10.1
233.15349	10.8
234.06749	4.3
235.07430	6.3
239.06984	6.3
239.14287	7.7
243.13818	4.5
247.07515	5.3
247.16977	7.8
249.09116	4.0
249.12282	3.4
251.10716	3.4
253.08603	5.7
257.15356	25.8
261.14865	34.8
263.07037	14.6
267.06604	30.9
267.09317	5.4
267.13724	6.2
269.04398	3.5
275.16397	47.2
281.08044	57.6
283.06369	6.2
283.09592	3.4
285.07635	3.7
285.14819	90.5
289.08698	4.8
293.17374	20.3
295.09518	5.2
303.15860	100.0
304.16306	4.6
307.09723	6.2
309.11362	8.3
311.05634	6.5
311.12805	4.6
321.11084	4.5
321.16968	19.0
325.10803	4.1
327.12268	6.9
339.12405	23.3
339.16010	3.9
339.18240	6.7
357.09790	6.7
357.13278	21.7
357.16956	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
53.03943	1.4
55.01852	2.3
55.05491	3.8
57.03419	1.0
65.03943	1.5
67.05515	5.7
68.99790	1.4
69.03413	3.1
69.07052	4.1
69.99077	5.4
71.04977	1.8
79.05489	7.2
81.03401	3.2
81.07040	8.0
83.01337	1.7
83.04980	2.0
83.08611	2.1
85.02880	1.0
85.06543	1.6
91.05463	17.0
93.07048	4.9
95.04948	3.5
95.08617	5.6
97.02905	1.2
97.06506	3.1
97.10164	2.7
99.04488	0.9
99.08025	1.1
103.05462	1.0
105.07021	5.0
107.04949	28.7
107.08605	4.7
109.02863	1.2
109.06510	7.9
109.10166	4.9
111.08105	1.1
113.06031	2.2
115.05431	1.9
116.04987	1.0
117.07010	3.8
119.04939	21.9
119.08569	3.1
121.02856	1.7
121.06496	3.2
121.10124	2.1
123.04441	7.8
123.08043	2.7
123.11719	1.4
125.05928	1.5
125.09624	2.6
127.03934	1.7
128.06226	2.6
129.06944	1.2
131.04927	1.2
131.08551	2.1
133.06424	1.9
133.10095	2.0
135.04399	4.0
137.02327	1.3
137.05977	12.6
143.04953	1.4
143.08585	5.4
144.04433	1.1
145.06474	3.5
145.10080	3.4
146.07230	1.2
147.04375	2.9
147.08041	2.8
147.11658	1.3
149.02338	2.7
149.05978	100.0
150.06371	1.0
151.03873	2.0
151.07523	1.8
153.05489	1.4
158.07207	1.0
159.08020	1.2
159.11647	1.4
160.05156	1.2
161.02312	1.8
161.05969	4.4
161.09633	1.3
163.03883	1.3
163.07558	7.0
165.05531	1.3
165.06992	1.7
167.03374	6.4
167.07045	2.4
169.08539	1.5
171.08060	8.3
172.03925	6.3
173.05931	1.3
175.07576	6.6
177.05521	2.2
179.07013	3.1
181.10139	1.3
185.09619	1.7
189.09111	3.9
189.11061	2.2
191.07047	2.9
191.10689	1.8
197.05946	1.8
203.07008	10.3
203.10652	15.6
204.06538	8.9
207.08308	1.5
207.10091	7.0
221.08372	15.5
221.11713	97.6
222.12093	2.1
225.09103	1.4
227.06807	1.3
229.15761	1.1
233.11783	2.3
247.07510	2.3
251.12814	9.2
253.08560	2.2
264.07663	2.2
265.08478	1.1
279.10056	1.0
281.08054	1.7
285.11185	30.5
293.07983	1.9
293.17429	1.3
297.07791	1.2
297.11230	1.4
303.16040	1.1
307.09677	3.3
321.11176	1.8
325.10852	1.5
339.08627	1.4
339.12219	4.4
339.15985	2.8
357.13165	5.8
357.17017	7.3
357.24121	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1693
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
55.01869	1.5
67.05503	1.6
69.03387	1.0
71.35776	2.2
75.31696	1.1
79.05489	3.6
81.07054	1.1
85.06541	2.1
91.05473	3.2
93.07050	2.3
94.68262	0.9
95.04990	1.0
95.08591	2.2
99.32189	0.9
101.43043	0.9
103.05472	6.6
105.07019	6.1
105.92892	0.9
107.04971	8.1
115.05466	1.2
117.06999	1.6
119.08592	1.3
123.04424	9.3
124.04800	1.1
128.06223	2.0
131.04869	2.5
132.05693	1.5
133.06474	3.3
133.10072	1.9
135.04408	32.4
135.08052	8.8
137.05989	7.6
143.08560	2.2
145.06448	1.9
147.04425	7.4
147.08025	12.6
149.05972	4.1
151.07465	1.2
161.05969	6.9
161.09628	2.4
163.07545	58.2
165.01836	10.6
169.90906	1.1
171.08031	4.4
183.02882	8.1
185.05986	2.6
187.03926	1.9
189.09108	33.1
203.89764	1.0
207.10162	100.0
208.10474	1.5
213.05363	1.3
215.10670	1.1
221.08051	5.6
221.11650	2.3
223.92860	1.1
227.07042	1.2
233.11752	1.4
255.06584	4.5
283.06006	35.5
284.06345	2.1
285.11108	6.9
301.07040	10.3
339.01221	1.0
339.15625	1.6
357.16904	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1693
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
55.05504	0.9
65.03934	1.9
77.97334	0.7
79.05489	2.5
81.07059	1.8
85.06563	1.1
90.01073	0.7
91.05469	10.2
93.07045	1.4
95.01313	0.9
95.04991	1.4
98.21545	1.1
105.03350	0.8
105.07016	1.3
107.04943	7.2
107.08616	0.9
109.06506	1.1
109.10144	1.0
115.05481	0.9
117.07098	0.9
119.04935	15.6
119.08564	2.2
121.02876	1.1
121.06515	1.8
123.04446	4.0
128.06200	1.3
129.07010	2.1
131.01289	1.0
133.06519	1.1
135.04404	3.8
135.08113	0.7
137.02344	6.1
137.05974	2.5
143.08517	2.4
145.06485	2.5
147.04391	1.8
147.08020	3.2
149.02342	20.7
149.05978	63.5
151.07539	0.9
158.07376	0.9
161.02354	5.9
161.05998	4.6
161.09651	0.9
163.03918	3.1
163.07564	3.8
167.03401	37.7
171.07994	5.2
172.61877	1.0
175.07607	3.9
176.08418	0.8
178.09686	0.7
179.07013	0.7
185.06001	2.8
185.09569	1.4
189.09138	1.8
203.07031	31.5
203.10637	8.8
204.06953	0.8
207.10152	5.9
221.08116	100.0
221.11644	59.4
222.08415	2.4
251.12788	3.0
253.08640	1.4
285.11203	24.2
286.11429	0.9
339.15857	1.5
354.20538	0.8
357.13177	3.2
357.16953	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1694
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
55.01865	1.5
55.05485	2.1
57.01805	1.2
61.14079	1.3
62.34116	1.3
67.05483	5.8
69.07064	1.7
70.82927	1.4
70.83270	3.3
79.05489	9.1
81.07051	2.3
91.05437	9.7
93.07034	2.9
95.04952	5.0
95.08591	4.6
98.50666	1.2
103.05482	12.4
105.07027	13.8
107.04941	14.0
107.08578	3.2
109.10191	3.1
115.05454	2.2
117.07044	1.7
119.04944	2.7
119.08568	5.5
121.06542	1.9
121.10102	1.8
123.04418	5.7
128.06242	3.2
129.07010	1.5
131.04903	4.4
131.08560	2.7
132.05687	1.4
133.06512	2.5
133.10141	2.8
135.04422	22.4
135.08047	19.1
137.05948	8.2
137.09584	1.9
143.08545	4.3
145.06422	2.3
145.10129	1.4
147.04401	16.7
147.06958	1.7
147.08049	27.7
148.05196	2.5
149.05969	1.5
153.05482	2.3
159.11726	1.6
161.05977	3.2
161.09613	5.1
163.07536	76.1
165.01831	3.2
171.08044	7.9
174.06764	2.4
182.34503	1.3
183.02835	4.5
189.09102	100.0
190.09363	2.2
203.07079	2.0
207.10184	44.3
221.11671	2.0
233.11667	1.6
285.11160	4.9
301.07062	4.7
316.18384	1.6
334.19281	7.9
339.15842	2.1
339.19736	2.6
352.20273	2.6
357.20660	3.0
357.27881	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.2
67.05505	0.8
69.03423	0.5
69.07069	0.6
70.61127	1.5
79.05486	0.8
81.07069	0.8
85.31117	0.4
89.03918	2.9
91.05475	0.6
93.07049	1.4
94.06568	0.5
95.04951	0.9
95.08607	1.1
96.08132	0.9
97.10143	0.4
105.07040	1.0
107.04954	1.3
107.08598	0.4
108.08108	1.3
109.06524	0.9
109.10113	0.6
110.09668	1.9
116.04976	10.3
119.08587	0.7
120.08093	1.4
122.06006	2.6
127.03922	0.5
134.06021	0.9
136.07596	2.7
137.02272	0.6
137.05962	1.7
138.09119	1.5
144.04436	19.6
145.04837	0.6
145.06364	0.4
146.06032	1.6
148.07550	0.6
149.02315	1.6
161.02333	1.7
161.04643	0.5
162.05481	7.8
163.07552	1.0
166.08624	2.7
167.03386	3.4
167.06993	0.5
172.03925	68.0
173.04309	0.8
174.05482	0.7
175.07582	0.5
179.08551	0.6
190.04950	0.9
191.07083	0.7
203.07033	5.8
204.06544	100.0
205.06886	2.3
221.08038	6.3
235.07640	0.8
253.08392	0.5
267.06485	1.2
297.11261	0.5
320.10855	0.5
325.11386	0.6
329.14648	0.7
339.13174	1.0
357.13818	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05517	1.2
56.86301	0.4
57.64443	0.4
60.17248	0.4
65.03948	1.4
67.01887	0.4
67.05502	1.4
69.03426	0.8
69.07064	0.8
71.57255	0.5
71.57648	0.5
76.90665	0.4
79.05081	0.4
79.05485	2.0
80.05051	0.4
81.07061	1.9
83.04988	0.5
84.56712	0.4
85.02898	0.6
85.06530	0.7
89.03901	2.2
91.05479	1.2
93.03393	0.4
93.07037	1.6
94.06567	1.2
95.04969	1.0
95.07362	0.7
95.08607	1.2
96.08093	0.6
97.06527	0.5
97.10181	0.7
102.49755	0.4
103.05486	0.6
103.34397	0.4
105.07030	1.2
107.04953	1.8
107.08604	1.2
108.08129	1.9
109.06531	0.7
109.10155	0.7
110.09652	2.2
115.05458	0.6
116.04974	10.5
117.07001	0.7
119.08603	1.0
120.08083	1.7
121.10157	0.7
122.06036	2.4
123.04440	0.7
123.66422	0.4
134.06029	1.3
136.07587	2.6
137.02330	1.2
137.05968	2.9
138.09122	1.7
144.04437	19.7
145.06474	0.6
146.06012	2.0
147.08086	0.6
149.02341	3.1
149.06013	0.5
149.09583	0.5
151.03897	1.0
160.05209	0.6
161.02367	3.5
161.06004	1.0
162.05501	8.2
163.03841	0.6
163.07388	0.6
165.05557	0.6
166.08667	2.4
167.03412	9.0
167.07033	0.8
167.08418	0.4
172.03929	70.9
173.04329	1.1
173.13222	0.4
174.05521	0.7
175.07616	0.6
177.05333	0.5
178.07910	0.5
181.06522	0.5
185.05902	0.6
191.06996	1.2
203.07037	8.9
203.08611	0.3
204.06551	100.0
205.06839	2.0
207.08104	0.4
215.07010	0.5
221.06123	0.6
221.08064	16.0
235.07486	0.8
247.07507	0.4
251.11804	0.6
253.08632	0.6
267.06522	1.9
277.08194	0.4
281.07971	0.5
297.07666	0.6
297.10947	0.4
307.09579	0.9
321.11093	0.5
325.10992	0.6
329.14499	0.6
339.12558	1.3
357.13629	2.9
357.19626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40540	0.2
53.03946	0.3
55.01862	0.4
55.05501	0.6
56.96554	1.6
57.03419	0.2
59.07663	0.2
61.02918	0.3
65.03938	0.5
67.05482	0.9
69.03410	0.5
69.07064	0.7
73.02905	0.3
79.05482	2.8
81.03409	0.2
81.07066	2.2
83.04984	0.2
85.02897	0.3
87.56467	0.3
88.28094	0.2
91.05469	3.4
93.03387	0.2
93.07049	2.2
95.01323	1.1
95.04969	0.7
95.08584	1.0
97.02884	0.4
98.97591	2.2
104.39498	0.2
105.03396	1.0
105.07038	2.3
107.04935	1.7
107.08622	1.1
109.06509	1.9
109.10144	0.6
110.97555	0.5
115.05450	0.5
116.06250	0.3
116.98669	1.1
117.06976	0.7
119.04937	0.5
119.08586	2.2
120.02020	0.4
121.02847	0.4
121.10128	0.8
123.00769	0.6
128.06186	0.9
128.98601	0.5
129.06984	1.8
131.00153	1.1
131.01181	0.5
131.05038	0.3
131.08545	0.6
132.05696	0.5
133.02827	0.9
133.06471	0.4
133.10091	0.5
134.99620	0.8
135.04398	0.3
135.08002	0.4
135.11668	0.8
137.02357	0.4
137.05984	0.3
141.06943	0.5
143.00179	0.4
144.05690	0.6
145.10146	0.6
146.99565	0.5
147.04372	0.8
147.08037	4.4
149.01189	2.0
149.02330	3.8
149.13220	0.3
151.03906	2.1
157.06464	1.0
158.99661	0.7
160.05212	1.0
161.02336	11.7
161.05974	4.2
163.03860	2.2
165.07048	0.3
167.02383	0.4
167.03401	7.6
170.99619	0.5
175.03912	1.6
175.07512	2.3
177.00688	1.4
179.03462	0.4
185.05983	4.3
188.04689	0.3
189.00720	1.0
191.02318	0.3
203.07019	100.0
204.07391	2.6
206.05803	0.3
213.05464	0.3
219.01701	0.4
221.08089	6.9
239.07021	0.3
251.12766	0.4
261.02878	0.4
267.06451	4.2
268.07117	0.3
277.21765	0.5
279.03824	0.6
285.07309	0.3
293.05365	1.0
297.04840	0.3
311.06534	0.5
321.04922	0.7
321.11209	1.1
326.11398	0.2
326.82993	0.3
334.19330	1.3
339.12253	2.4
357.13058	0.3
357.17130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	5-Deoxykievitol
Peak:m/z	Relative Intensity
53.03928	0.9
55.01871	1.2
55.05504	1.5
59.54680	0.7
65.03927	2.3
67.05482	2.8
68.99774	0.8
69.03416	1.0
69.07070	1.0
71.03129	1.3
79.05479	2.3
81.03398	1.1
81.07047	3.4
85.06519	1.0
89.03922	0.8
91.05463	1.6
93.03377	1.9
93.07027	2.4
95.04966	0.9
95.08602	2.2
97.02882	0.8
97.06531	0.7
97.10133	1.2
99.04402	0.8
99.08088	0.8
100.42358	0.7
105.07029	1.9
107.04939	2.2
107.08597	1.8
109.06509	1.2
109.10128	2.2
111.04420	0.8
111.08029	0.6
112.33168	0.6
117.07057	0.8
119.08549	2.7
120.91920	0.7
121.02854	1.8
121.10140	1.8
122.03645	1.0
123.04465	1.3
129.07001	1.2
131.01279	2.6
131.08540	0.9
133.02834	0.7
133.10078	1.0
135.08047	0.8
137.02332	5.9
137.05962	6.2
141.06906	1.2
143.08600	0.6
145.10103	1.4
147.08038	2.7
149.01157	1.3
149.02339	25.7
149.06067	0.9
151.03880	2.0
160.05247	0.7
161.02299	8.2
161.05968	3.1
163.03888	2.2
165.06918	1.0
167.03400	54.3
172.03929	3.3
175.07556	2.3
181.06358	0.9
185.05962	2.6
195.07968	0.9
203.07028	50.6
204.06531	5.4
205.06642	0.8
207.07977	0.8
209.09535	0.8
211.07512	2.3
213.05475	2.7
219.08075	1.7
221.08080	100.0
222.08397	2.4
230.48706	0.7
233.05974	0.8
239.07106	1.8
249.05267	0.7
257.08200	0.9
261.09195	1.0
267.06506	59.4
268.06949	3.0
277.08743	0.8
279.10199	0.8
281.07983	1.0
285.07626	5.1
296.10263	0.7
297.11401	1.1
307.09708	1.0
321.11151	1.8
325.10724	1.7
327.12167	1.5
339.12213	10.0
357.09311	1.2
357.13336	8.6
357.18808	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58920	0.3
55.01866	0.6
55.05506	0.4
57.07067	0.5
64.30019	0.3
65.03923	1.0
67.05486	0.9
69.07076	0.5
70.89697	0.4
70.90057	0.9
73.44429	0.3
73.86176	0.3
75.07492	0.3
79.05482	0.8
81.03410	0.3
81.07043	1.0
85.02901	0.4
85.06522	0.7
91.05449	2.3
93.03393	0.4
93.07027	0.5
95.01334	0.6
95.04970	0.5
97.02860	0.5
99.08093	0.4
105.03384	0.4
105.07010	1.0
109.06496	0.5
115.05446	0.6
117.07005	0.4
118.20610	0.4
119.04931	2.5
119.08559	0.8
121.02811	1.1
123.00735	0.3
123.04426	1.0
129.06990	0.8
131.01279	1.0
133.06477	0.4
137.02335	4.8
137.05922	0.4
143.08482	0.3
145.06393	0.4
147.04373	0.5
147.08044	2.0
149.02335	19.7
149.05978	10.5
150.02745	0.4
151.03883	0.7
155.14729	0.3
160.05225	0.4
161.02335	6.2
161.05974	2.1
163.03920	1.8
163.07545	1.7
167.03395	33.5
168.03712	0.7
171.08052	0.8
175.03877	0.9
175.07526	1.8
185.05975	2.0
189.09074	0.3
203.07024	28.6
203.10448	1.7
204.07368	0.6
207.10162	0.7
221.08083	100.0
221.11693	10.0
222.08440	2.6
226.05334	0.3
253.08640	0.4
285.11295	4.3
286.10437	0.4
339.15842	0.5
357.13318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Shuterin
Peak:m/z	Relative Intensity
54.26316	0.8
54.88685	0.8
55.01873	1.3
55.05501	2.3
56.96561	3.7
57.03439	1.3
61.02908	1.4
67.05502	4.6
69.07069	2.3
69.39913	5.2
69.40339	3.5
73.02953	1.0
79.05483	7.1
81.07061	5.2
89.46159	0.9
91.05465	6.4
93.07031	6.2
95.04996	1.8
95.08615	4.1
97.02880	2.5
98.97579	4.7
105.07011	3.5
107.04961	1.8
107.07821	0.9
107.08582	3.2
109.06546	1.9
110.97588	0.9
116.98640	3.1
117.07021	2.1
117.19177	0.9
119.04942	0.9
119.08564	3.8
121.10169	2.8
128.98610	1.2
129.07011	2.8
131.00154	2.7
131.08583	0.9
133.02798	1.0
133.10100	1.6
134.99661	2.2
135.11716	2.3
137.05952	1.5
145.10132	1.2
146.99623	1.8
147.04390	1.5
147.08051	3.6
147.11681	1.4
149.01244	4.1
149.02350	2.8
149.06015	1.7
149.13185	1.2
151.03926	3.0
157.10010	1.1
158.99625	1.7
161.01123	1.5
161.02347	13.4
161.06004	4.5
163.03918	3.1
167.02216	1.6
167.03430	6.5
175.03946	2.1
175.07553	2.2
177.00677	2.6
179.41539	1.0
185.06013	4.2
189.00754	3.2
203.07024	100.0
204.07257	1.8
221.08104	9.4
221.11624	1.1
267.06580	3.4
279.03766	1.1
293.05417	1.8
311.06497	1.9
321.05090	1.2
321.11310	1.4
339.12180	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37635	4.3
55.05507	14.1
55.57410	4.1
57.03431	19.5
57.06819	6.5
57.07076	66.1
67.05511	25.4
69.07063	16.8
69.54907	8.1
69.55312	28.6
71.08630	53.5
81.07067	35.2
83.08613	17.3
85.10165	23.1
91.05793	11.9
91.67720	4.5
93.07031	11.8
95.08604	34.8
97.10178	9.8
98.20800	5.4
107.08559	5.5
109.10136	17.2
111.11674	6.3
116.68806	4.2
120.01632	4.1
121.10125	5.6
123.11700	10.7
133.10094	5.0
145.10138	5.1
147.11696	4.9
245.22618	5.7
263.23749	5.7
278.31122	4.2
299.29733	6.3
346.30560	4.4
355.28082	73.1
355.32092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68812	3.7
55.05500	18.3
57.07048	6.3
64.86229	3.6
66.32988	4.3
67.05487	15.2
69.07050	17.8
69.80528	10.6
69.80940	17.6
70.06576	13.3
71.85672	3.8
79.05479	10.2
81.07040	12.9
83.08632	6.9
88.07611	15.4
88.72105	4.2
93.07032	18.5
95.08588	8.4
97.10184	4.5
105.06989	9.4
106.08655	8.7
107.08576	9.3
109.06498	5.5
117.07030	5.5
119.08656	6.1
121.10146	9.4
124.05531	4.1
135.08015	4.7
139.11130	5.5
173.11710	4.1
212.93929	4.1
275.20013	15.3
307.22653	5.2
338.33984	11.3
345.09079	5.0
356.35217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05513	51.2
57.07069	17.0
59.86214	7.3
63.90257	7.7
67.05502	75.7
69.07059	53.4
70.29406	32.3
79.05486	25.5
81.07055	100.0
83.08608	38.1
91.05450	19.4
93.07041	26.1
95.08599	86.2
96.59386	7.0
97.06548	12.5
97.10170	26.4
105.07010	20.8
107.08597	25.6
109.10151	32.5
119.08552	9.9
121.10143	33.7
123.11712	26.9
133.10130	24.6
135.11661	13.3
147.11714	13.4
149.13234	11.3
161.13214	16.4
163.14784	11.2
175.14862	8.7
176.88792	7.8
229.54204	7.9
245.22678	32.0
248.54893	8.2
263.23782	40.9
337.27289	26.5
355.28403	39.3
379.13531	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95296	2.8
53.20328	3.2
55.05513	25.7
57.03423	15.9
57.07076	64.1
59.29985	3.1
67.05499	51.0
69.03407	4.3
69.07066	53.0
69.64793	25.9
71.05001	3.4
71.08626	69.1
79.05490	10.8
79.36340	3.2
81.07055	86.4
81.13704	3.0
83.08615	34.2
85.06549	5.2
85.10180	38.8
85.76598	3.4
86.48718	3.2
91.05775	12.2
93.07029	19.3
95.04917	4.2
95.08601	100.0
95.09168	7.4
96.08936	4.6
97.06509	4.4
97.10159	27.5
105.07029	7.1
107.08582	7.3
109.10152	35.4
111.08088	9.8
111.11697	10.1
119.08585	10.2
121.02834	5.3
121.10151	10.3
123.11690	13.1
125.13293	5.5
133.10132	10.0
135.11688	5.0
137.09602	5.6
137.13243	10.2
139.07655	4.3
147.11705	5.7
149.02315	19.1
149.13287	7.7
151.11212	5.3
155.14294	48.1
161.13272	5.1
163.14752	5.5
165.12608	4.6
166.66951	3.4
181.15842	3.7
188.96259	3.3
205.12279	3.7
208.44464	3.8
211.14880	3.9
234.69583	3.5
245.22578	13.0
253.25230	12.0
263.23645	11.9
281.24649	6.5
285.00937	4.3
299.25748	5.5
355.28537	49.7
356.35165	19.1
366.43478	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	40.5
55.05734	8.2
57.03420	9.3
57.07074	24.2
63.90867	7.9
67.05496	72.2
69.07066	44.7
69.32298	100.0
71.04974	8.7
71.08630	11.2
73.04752	10.7
77.98435	8.0
79.05484	31.8
80.03824	9.1
81.07049	98.7
83.08600	25.7
83.67649	8.9
88.07641	19.5
91.05354	10.6
91.05781	39.7
93.07052	46.4
95.04956	14.8
95.08169	9.4
95.08621	93.6
96.49369	9.7
97.06517	11.1
97.10145	15.6
105.07037	28.2
107.08569	33.1
109.10153	61.4
113.09653	9.9
119.08566	24.8
121.10136	34.6
123.11694	16.6
128.95123	10.2
133.10124	37.3
135.11694	28.1
137.09605	49.0
137.13234	11.4
139.07610	11.8
143.08569	9.8
147.11671	25.2
149.13245	14.5
161.13290	12.3
175.14867	13.5
189.16367	11.8
213.16399	9.4
231.61079	8.6
243.98807	8.6
245.22566	34.6
253.23874	9.5
263.20035	47.8
263.23663	32.4
268.97992	12.2
274.60583	8.4
285.00909	17.2
296.29498	29.2
337.27631	16.0
355.06888	13.7
356.35321	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05511	38.8
57.03437	17.0
57.07077	10.5
67.05506	80.1
67.93600	5.6
69.07066	55.5
70.29157	24.5
71.08637	6.7
72.58372	5.6
79.05502	32.0
81.07053	100.0
83.08618	39.0
85.06582	7.3
91.05495	21.2
93.07050	36.9
95.08609	85.0
97.10170	14.0
99.08149	6.3
101.19408	6.3
101.78493	6.2
105.07043	16.1
107.08609	18.7
109.10187	46.7
111.11694	9.1
119.08585	15.2
121.10144	29.7
123.11700	26.0
133.10179	19.0
135.11673	14.8
137.13255	6.9
141.07930	6.9
147.11710	11.6
149.13286	15.6
151.14769	9.8
161.13254	16.3
163.14827	12.6
165.16406	6.8
165.73503	6.6
171.86310	6.8
175.14795	16.5
245.22607	44.6
263.23660	46.1
337.27332	19.3
355.33917	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27085	8.2
55.05518	48.3
57.03434	17.7
57.07062	25.9
67.05504	92.7
69.07066	69.1
69.36512	58.4
70.06583	8.9
71.08622	13.9
79.05505	26.6
81.07050	96.2
83.08619	36.9
85.06535	8.1
88.07645	14.4
91.05396	13.7
91.05853	12.8
93.07054	37.9
95.04958	9.2
95.08603	100.0
97.06515	7.3
97.10211	30.6
105.07021	23.2
106.08698	6.9
107.08585	35.0
109.10161	52.8
111.11715	8.3
119.08598	22.0
121.10146	27.1
123.11708	16.4
133.10132	26.6
135.11673	18.4
137.13266	10.9
147.11662	19.3
149.13188	16.7
161.13249	20.0
163.14780	18.9
168.85776	6.2
175.14868	10.1
189.16443	7.7
192.17293	6.9
245.22601	50.6
263.23700	44.3
285.00885	12.5
296.29559	17.3
337.27643	15.2
355.33890	7.9
356.35245	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56967	1.4
50.67862	1.3
51.51644	1.2
55.01871	1.7
55.05502	4.6
57.03429	1.8
57.07052	2.2
60.34473	1.5
61.02905	2.6
61.47968	1.5
66.29980	1.6
67.05494	3.9
69.03421	8.3
69.07075	9.0
70.06595	1.9
70.82726	2.4
70.83046	2.1
73.04755	2.3
79.05476	4.1
81.03423	4.2
81.07059	7.1
83.04993	1.8
83.06092	2.7
84.08160	2.4
85.02909	24.9
85.06540	3.8
86.09671	1.5
91.05385	2.4
91.05795	7.2
93.07047	4.3
95.04966	5.4
95.08601	7.6
97.02885	8.5
97.06529	2.1
99.04490	2.5
103.05465	1.7
103.48463	1.3
105.07046	10.1
107.04978	2.3
107.08600	6.0
109.02888	3.1
109.10160	6.0
111.04441	2.5
111.08073	2.6
115.03925	1.7
117.07091	1.6
119.08585	36.6
121.10145	5.8
123.08035	1.8
127.03919	7.7
131.08551	4.2
133.10132	37.9
135.04343	1.7
135.11710	3.4
137.05975	2.6
137.09613	1.7
143.07001	1.4
145.02896	1.9
145.04935	3.5
145.10161	5.2
147.08119	1.6
147.11696	8.7
151.07587	2.5
156.09338	1.7
159.11662	1.8
163.03879	3.9
163.06059	1.4
173.13254	5.4
175.11183	5.4
175.14828	100.0
176.15166	2.9
179.06990	1.4
182.15457	1.7
187.14832	1.7
191.14340	1.9
193.04922	2.6
193.08542	1.3
193.15851	10.8
201.05544	1.7
205.15779	2.0
206.44774	1.4
230.44084	1.5
268.97842	2.8
285.00986	2.0
319.19116	3.3
337.20035	2.7
355.07321	2.1
355.17316	23.0
355.21182	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
60.30718	2.2
67.05490	5.9
69.07059	5.1
70.06577	2.1
70.83426	6.8
75.96423	2.1
77.96987	2.5
79.05495	2.8
81.07049	5.5
83.08610	2.9
90.01314	2.2
91.05779	16.5
91.87334	2.2
93.07043	5.2
93.82851	2.3
94.52490	2.8
95.04993	2.6
95.08598	6.7
105.07014	4.5
107.04958	3.4
107.08605	2.9
123.04424	9.1
128.06216	10.5
135.04385	2.6
143.08553	16.4
144.84433	3.2
149.05971	9.7
163.03900	5.0
171.08047	39.1
172.05139	3.8
173.05956	5.7
185.09668	5.3
187.07492	16.9
188.08223	4.4
203.10680	100.0
215.91763	2.5
245.07835	2.9
245.11749	4.4
285.00833	4.9
295.24716	9.9
337.14322	6.5
355.07336	3.0
355.18570	64.3
355.26651	2.9
356.18933	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05510	2.8
56.69426	0.8
56.96528	0.9
57.03429	1.4
61.02919	1.4
62.81183	1.0
67.05494	3.3
69.03427	5.9
69.07064	8.7
70.06598	1.5
70.75014	1.1
70.75356	2.4
71.05000	1.4
73.02924	1.3
73.04745	1.2
79.05493	2.3
81.03419	3.6
81.07059	3.6
83.04981	1.1
83.06097	1.9
83.08617	2.8
85.02905	20.7
85.06536	1.6
86.09689	1.4
91.05379	2.4
91.05798	5.7
93.07047	4.3
95.04961	4.0
95.08601	6.4
96.08150	1.0
97.02892	5.2
97.39135	0.9
99.04450	1.5
105.07026	8.4
107.08601	4.8
109.02870	2.9
109.06519	1.2
109.10150	4.2
111.08108	1.6
113.58989	0.9
115.05463	1.2
117.06995	1.5
119.04945	0.9
119.08575	38.2
121.10139	4.2
123.08057	1.6
125.09554	0.9
127.03911	6.2
131.08562	3.5
133.10124	32.9
135.11679	2.9
137.05980	1.8
137.09613	1.4
143.08534	1.4
145.04958	2.8
145.10123	3.0
147.08044	1.0
147.11668	6.8
149.09639	1.7
151.60242	0.9
153.05376	1.1
157.10172	1.3
159.11705	1.7
161.09721	1.3
163.03906	2.5
163.06006	1.3
167.07030	1.3
173.13225	4.8
175.14818	100.0
176.15161	3.2
181.96577	0.9
187.07478	1.0
187.14836	1.7
191.14258	1.5
193.08478	1.2
193.15877	12.6
196.14421	1.1
199.14841	1.2
201.05490	2.9
205.15900	1.1
210.14906	2.1
229.15742	1.0
253.13135	1.1
268.97934	1.3
285.00842	2.3
294.86301	1.1
301.17883	2.8
319.18982	1.8
337.20288	1.9
355.07462	1.4
355.17255	11.5
355.21179	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03925	0.6
67.05485	2.1
69.65484	3.2
69.65901	1.1
73.04720	0.7
77.03922	1.3
79.05482	1.1
81.07047	0.9
91.05839	1.3
93.07040	0.9
95.04944	2.5
98.20878	1.0
105.03384	34.5
109.02872	0.9
119.08577	0.9
123.04430	1.3
128.47527	0.6
133.02843	43.7
134.03143	0.8
137.05927	1.2
142.54091	0.6
161.05980	2.0
163.03889	28.2
164.04221	0.8
177.06989	1.0
181.04945	100.0
182.05252	1.8
195.08078	1.1
210.06741	2.8
217.08144	1.7
219.10141	67.0
220.10501	3.6
223.07507	5.4
227.07104	0.8
233.11659	0.8
238.06262	7.0
251.07004	11.2
265.04883	1.0
266.05734	7.0
281.08060	68.0
282.08429	3.6
283.09518	1.3
299.09045	2.0
310.67773	0.7
337.14200	1.2
355.14716	1.3
355.18854	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Bolucarpan C
Peak:m/z	Relative Intensity
53.03946	0.5
53.49334	0.4
55.01851	1.2
55.05495	0.5
56.96540	1.4
58.62672	0.4
63.56123	0.5
67.05486	0.9
68.99769	0.9
69.03412	0.6
69.07063	2.4
79.05466	1.4
81.03394	0.5
81.07022	1.3
91.05753	2.7
92.78521	0.5
93.06998	0.8
95.04935	1.1
95.08587	1.1
97.02885	0.5
98.21539	1.0
105.07022	0.8
107.04978	0.7
107.08566	0.6
121.02847	1.4
121.10108	0.6
123.04373	0.7
129.07002	0.9
131.04871	1.2
131.08559	0.6
133.43639	0.4
135.04398	0.7
137.02357	3.2
137.03233	0.7
141.06960	1.4
142.74429	0.5
143.08510	0.8
144.01123	0.5
147.04382	1.5
149.05934	2.0
153.06969	0.8
154.07718	1.5
155.08577	1.0
157.06442	0.8
160.05179	2.6
161.06003	0.6
163.03886	1.1
165.06975	1.4
166.07759	0.6
167.08443	0.9
169.06419	1.0
169.10136	0.7
173.05968	2.9
178.07741	1.6
179.08524	3.3
181.06464	1.4
182.07245	3.1
183.08107	1.2
185.05956	1.3
191.10692	2.7
197.05972	1.3
197.09616	4.0
199.07516	0.9
205.06454	0.5
205.08478	0.6
207.08080	2.6
210.06743	2.4
211.07471	1.6
213.05458	1.4
213.09027	0.5
219.06514	0.6
219.10121	1.5
223.07498	0.9
225.05438	0.8
225.09131	8.1
229.37115	0.7
235.07559	1.3
236.08189	0.9
238.06233	0.7
239.06970	1.4
240.07796	0.5
253.08626	15.5
254.08926	0.7
255.09171	0.6
263.07172	0.7
267.06439	0.6
268.07358	1.0
269.07822	1.6
281.08084	29.5
282.08420	1.5
285.00931	1.0
287.09131	0.9
299.09143	100.0
300.09531	5.5
337.14261	2.7
355.15353	24.3
356.15781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	5-Hydroxy-7-methoxy-4'-prenyloxyflavanone
Peak:m/z	Relative Intensity
50.91662	1.1
53.54005	0.9
55.01860	2.2
55.05499	2.8
56.96556	1.6
57.03405	1.7
66.21913	0.9
67.05506	6.0
68.72613	1.0
69.03405	4.1
69.07063	26.3
69.29093	12.1
71.08696	1.0
71.86729	1.0
79.05478	4.3
81.03391	1.6
81.07036	3.4
83.04975	1.1
91.05382	2.1
91.05849	2.3
93.07026	3.2
95.01340	2.2
95.04952	2.9
95.08584	3.0
97.06509	1.3
105.03374	1.5
105.07036	2.1
107.04924	5.2
107.08579	3.3
109.06540	1.1
109.10130	2.8
113.02352	15.1
115.05433	2.7
117.07014	5.1
119.04904	2.3
119.08555	2.5
121.02844	1.9
121.06496	1.7
121.10133	1.9
123.04413	4.1
123.08043	1.1
125.09589	3.8
129.06989	2.7
131.04900	3.4
131.08542	2.1
133.02802	1.7
133.06479	1.2
133.10143	1.3
134.03632	3.0
135.04376	1.9
137.02380	1.5
137.05879	1.4
137.09564	2.6
143.08533	1.5
145.02837	1.2
145.06459	8.5
147.04414	7.3
147.08022	2.0
149.02321	6.1
155.10640	1.4
157.06485	1.0
157.10057	1.7
158.82869	1.2
160.05267	1.2
161.02403	2.3
161.05957	8.0
163.03902	3.7
165.01813	1.7
165.07051	1.4
167.03429	11.5
167.08499	1.9
173.05960	6.1
175.03935	1.4
175.07539	19.2
177.01828	1.5
177.05461	2.2
177.06978	1.4
183.08121	1.1
185.05922	1.4
185.09584	2.0
189.09117	2.0
191.06978	4.4
195.08041	3.5
197.05991	1.3
198.06659	2.0
201.05457	46.9
205.08586	1.8
211.07486	1.6
213.05424	1.5
213.09032	3.5
219.06531	23.9
219.10091	1.3
220.06825	1.3
223.07555	3.4
225.09117	3.2
227.07060	2.0
229.07294	1.5
239.07059	2.6
241.08580	57.7
242.08952	1.3
247.08401	2.0
251.06961	1.2
252.07813	1.7
253.08447	2.3
267.06430	1.3
268.07199	2.8
269.08075	100.0
270.08313	3.4
281.08136	7.3
283.06067	5.5
283.09317	1.0
285.01047	1.8
287.09125	15.1
291.13580	1.2
295.05875	2.0
299.05594	1.7
307.05945	1.2
319.09628	2.1
319.13092	2.4
322.08002	1.7
337.10638	28.9
337.14371	7.0
338.11169	1.7
355.07733	2.1
355.11707	3.6
355.15372	38.1
355.26468	1.2
356.15735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1534
Annotation	Isodehydrocycloxanthohumol hydrate
Peak:m/z	Relative Intensity
55.05497	3.8
61.43932	1.7
65.03935	2.3
67.05484	7.4
68.36127	2.0
68.99789	4.6
69.03419	4.3
69.07078	19.8
71.58624	3.4
73.04758	3.7
79.05475	5.6
81.03420	3.8
81.07049	7.8
83.04977	2.1
85.02889	5.0
91.05780	12.0
93.07050	6.1
95.01321	5.6
95.04963	4.0
95.08588	6.8
102.29298	2.0
103.05445	2.1
105.07017	6.7
107.04938	6.7
107.08568	4.6
108.15102	1.9
109.06552	3.5
109.10151	3.2
111.08133	1.8
113.02396	4.9
119.04913	3.6
119.08541	4.8
121.02882	3.7
123.04420	6.5
129.07011	4.9
131.04984	2.1
132.35004	2.0
135.04361	2.7
137.05978	4.0
141.06953	4.9
143.08562	2.5
145.02844	4.6
147.04419	10.1
147.11688	4.2
149.06032	2.5
153.01826	4.8
153.06946	2.0
154.07695	2.6
155.08568	2.3
157.06500	10.7
157.07619	2.3
159.04472	4.3
159.08020	2.3
161.05980	5.0
163.03891	8.3
163.07503	3.9
165.06956	3.1
173.06044	2.6
178.07726	2.5
179.08543	8.2
181.04938	5.1
181.06430	3.5
182.07306	4.6
183.11792	2.8
185.05919	10.4
187.07570	3.2
191.03387	6.1
197.05963	4.8
197.09583	6.8
201.05565	4.5
202.54938	2.5
203.06917	3.0
207.08020	8.4
210.06793	6.8
211.07503	3.6
213.05466	15.7
217.08553	3.1
225.05571	2.6
225.09149	19.9
227.10739	2.1
229.04980	21.5
231.06578	5.7
233.11777	1.9
235.07484	5.7
235.09689	5.1
239.07014	3.9
241.08588	2.5
245.11671	3.1
251.06972	2.5
252.07809	3.3
253.04984	11.9
253.08597	26.6
257.04562	4.8
263.06961	4.8
267.09091	3.6
268.07166	2.1
268.97791	3.9
269.08264	14.3
269.10806	3.7
271.06000	5.9
281.04523	10.7
281.08047	78.6
283.09665	3.3
285.01099	4.3
285.10071	8.0
287.08972	2.6
288.37158	2.1
299.05475	97.4
299.09116	100.0
300.05966	5.4
300.09384	3.8
307.09314	2.3
327.12347	2.2
337.14337	15.4
355.11667	45.2
355.15433	33.7
356.11926	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
53.03943	1.8
55.01853	3.7
55.05523	3.3
56.96556	2.2
57.03418	2.2
65.03952	2.5
67.05507	7.9
69.03434	4.3
69.07064	20.1
71.04987	1.7
71.50002	3.8
73.04732	2.3
74.63378	1.6
79.05505	8.5
81.03420	3.6
81.07043	8.1
83.04967	3.1
91.05423	4.8
91.05811	7.0
93.07049	4.2
95.01319	2.9
95.04964	4.5
95.08612	4.9
97.06511	4.3
103.05498	2.5
105.07027	5.6
107.04955	9.7
107.08575	4.1
109.06547	1.8
109.10132	4.6
113.02351	8.0
115.05463	5.4
117.07010	7.6
119.04926	3.6
119.08570	4.1
121.02892	5.7
121.06544	2.3
121.10128	2.3
123.04433	4.2
125.05986	2.3
125.09592	2.0
129.06989	3.4
131.04909	2.0
133.06482	2.6
133.10143	2.6
135.04399	3.1
137.02368	2.1
137.06003	4.4
137.09627	2.1
145.02841	2.5
145.06508	9.3
145.10052	2.3
146.03671	2.2
147.04419	6.2
149.02357	12.7
149.06007	4.0
152.06152	1.8
155.08516	2.0
157.06413	2.5
160.05211	1.9
161.05981	26.8
163.03876	11.3
163.07568	2.2
165.01825	2.5
165.06985	2.2
167.01984	2.3
167.03391	46.8
167.04735	3.2
167.08678	2.1
173.05984	10.2
175.07552	12.9
177.01886	7.3
177.05499	3.9
177.09122	2.4
181.06425	2.9
183.02911	2.8
189.09106	4.4
191.06998	15.7
195.08020	3.5
197.05978	1.7
201.05467	41.6
201.33521	1.7
211.07671	2.5
213.05473	3.6
213.09189	2.8
219.06520	100.0
219.10112	7.2
223.07686	1.7
225.09053	2.6
227.07057	2.9
229.07561	1.8
235.07530	3.2
237.07573	4.8
239.07095	1.9
241.08588	40.5
247.08261	1.9
251.07034	1.6
252.07780	4.4
253.08649	2.4
263.07050	2.4
267.06519	10.9
268.07193	2.4
268.97900	3.2
269.08078	66.2
277.08618	1.8
279.06638	2.1
281.08066	5.3
283.05963	14.0
285.00919	2.5
287.09003	10.3
295.05975	4.3
295.09610	3.4
299.05505	6.0
307.06024	2.4
309.11169	3.8
319.09595	4.6
319.13043	2.1
322.08188	2.6
323.09100	6.2
337.10706	66.4
337.14282	5.8
338.11084	2.3
355.07288	2.7
355.11627	9.0
355.15466	25.7
355.22293	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21761	1.1
51.80757	1.1
55.01863	2.5
55.05497	3.2
56.96565	3.0
59.40653	1.1
63.98609	1.1
67.05498	6.4
69.03414	1.6
69.07058	4.0
71.04978	2.1
71.58133	2.4
73.04739	1.3
79.05482	7.4
81.03398	5.1
81.07048	5.8
83.04953	3.1
88.40626	1.2
89.03914	9.1
91.05362	2.3
91.05793	6.3
93.07036	4.3
95.04958	3.5
95.08590	6.1
97.06550	1.5
97.10175	1.6
105.07012	4.7
107.04947	25.0
107.08561	3.6
109.06539	1.7
109.10158	3.5
111.04506	1.3
117.03371	9.5
119.08595	3.0
121.10175	2.2
122.04879	1.3
125.09625	1.3
129.07001	1.8
131.08575	2.3
133.10080	1.6
135.04404	23.5
137.02295	2.3
139.11105	1.6
145.02834	12.1
147.11760	1.6
149.02351	1.4
159.08032	1.6
163.03894	100.0
167.03391	4.5
177.05501	1.8
178.07707	1.5
181.01291	1.6
189.09126	3.9
191.07013	1.8
196.67599	1.4
199.03860	1.9
219.06448	9.8
224.38092	1.4
229.07445	3.5
231.10202	3.9
247.08508	5.4
249.11244	5.7
257.26678	1.5
259.08652	1.7
263.06879	1.5
267.13757	1.8
268.97794	1.7
285.00949	3.0
303.01865	1.5
319.98935	1.6
326.13596	1.7
355.07132	1.8
355.11429	1.9
355.22635	1.5
355.26511	1.7
367.17780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenate
Peak:m/z	Relative Intensity
65.15210	2.2
69.94662	10.2
69.95073	4.8
79.05473	2.2
85.02934	2.2
87.03143	1.9
87.18079	2.0
89.03915	10.7
91.05801	6.1
94.99359	2.2
107.04954	4.1
116.70633	2.1
117.03372	8.5
135.04405	24.1
145.02844	11.5
147.06358	3.9
163.03903	100.0
174.05527	9.9
175.05830	8.6
192.06544	4.4
193.05177	3.9
193.06857	6.9
351.08258	2.7
355.12222	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
71.31389	2.9
81.03395	1.5
91.05772	4.7
107.21319	1.1
112.86478	1.5
122.03654	1.6
122.06011	2.8
126.09347	1.3
133.02840	20.3
137.05957	3.8
144.16093	1.6
149.05997	2.0
163.03883	2.1
165.05414	1.8
178.02589	10.0
193.04964	100.0
194.05182	2.1
355.13107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1176
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
53.03936	1.2
55.01868	1.8
55.05523	3.9
56.96563	0.8
65.03941	1.3
67.05502	8.2
69.03401	1.1
69.07063	3.0
69.94458	3.2
71.04990	0.8
79.05496	7.7
81.03416	7.4
81.07059	7.2
83.04970	1.9
83.08620	1.6
89.03909	0.9
91.05476	5.1
91.05870	2.4
93.07036	5.8
95.01360	0.7
95.04963	4.2
95.08597	4.2
97.02888	0.7
97.06519	2.2
97.10181	1.4
98.97578	0.8
103.05439	1.9
103.61091	0.7
105.03382	6.0
105.07035	5.6
107.04944	5.2
107.08601	3.2
109.02895	1.6
109.06487	0.9
109.10188	3.3
111.08092	0.8
115.05463	2.9
117.03376	0.8
117.07030	1.8
119.04928	1.3
119.08566	3.7
121.02872	1.4
121.10126	2.3
123.04436	10.9
123.08051	1.2
123.11775	0.8
128.06229	2.1
129.06999	5.1
131.04907	2.2
131.08569	1.7
133.02896	4.1
133.06525	1.0
133.10126	2.1
135.04417	2.5
135.11659	0.7
137.02368	2.7
137.05981	4.3
141.06972	3.9
142.07768	1.0
143.04887	1.1
143.08577	1.0
145.02873	1.3
145.06480	2.6
145.10152	0.9
147.04440	3.6
147.08044	0.9
147.11687	2.1
149.02370	4.0
149.05997	2.2
149.09656	0.9
151.03882	2.0
152.06155	0.9
153.07008	2.0
155.08527	1.0
157.06506	4.3
157.07579	0.6
157.10094	0.9
158.07326	0.8
159.04425	1.9
159.08025	1.9
160.05182	2.0
161.02330	11.9
161.05959	5.1
163.03908	6.4
163.07510	2.0
165.07060	3.1
165.12753	1.3
167.03410	5.2
167.08589	0.8
169.06468	2.0
171.04408	1.8
171.08092	1.4
173.02347	2.3
173.06007	3.0
175.03896	5.0
175.07579	3.0
175.11256	1.0
177.05453	0.8
177.06892	0.7
178.07716	1.0
181.06511	3.4
183.04422	0.9
183.08112	2.4
183.11681	0.8
184.05191	0.8
185.05983	9.7
187.03915	5.8
187.07469	1.2
189.05460	1.4
189.09093	2.0
191.06973	1.1
193.06456	1.4
195.08025	1.5
196.08757	0.8
197.05959	5.7
199.03902	12.3
199.07603	1.6
201.05524	4.4
201.07166	0.7
202.07820	2.7
203.07008	10.7
203.08696	0.9
203.10507	1.1
205.05005	2.2
205.06702	0.9
205.08501	1.2
207.08075	1.1
207.11591	0.8
208.05396	0.7
209.05994	1.6
211.03970	2.3
211.07529	2.1
213.05453	4.9
217.04958	3.9
217.10138	2.6
219.06377	1.0
219.08276	0.8
219.10188	1.6
220.08807	1.1
221.05904	1.7
223.07462	1.2
224.08299	1.0
225.05464	6.6
225.08989	0.7
226.06369	0.7
227.06995	4.0
233.05916	1.1
234.06725	1.2
235.07562	2.1
235.11125	1.0
237.05525	1.7
237.09143	0.9
239.07065	3.7
239.10526	1.1
241.08636	0.8
245.09665	3.8
247.07555	0.9
248.08424	2.1
249.09088	1.9
251.07037	2.4
252.07904	0.9
253.08600	2.0
255.06630	1.6
261.05493	1.1
262.06189	1.3
263.07169	1.0
263.10675	3.9
265.08807	1.4
265.12115	1.1
266.09430	1.1
267.06348	0.9
267.10172	0.9
267.13861	4.1
268.97702	0.9
273.09210	3.5
273.12112	0.7
275.07089	2.0
276.07816	2.4
277.08606	2.9
279.06534	1.5
281.08600	0.9
281.11737	3.6
283.02905	1.3
283.06018	21.8
283.59402	0.7
284.06860	0.8
285.00946	0.9
291.10196	4.6
291.13492	0.8
293.08292	3.4
293.11362	0.9
294.08850	1.4
295.09509	1.5
299.09140	2.2
301.08713	1.2
301.12344	1.2
303.02045	0.9
305.08084	2.8
307.06024	0.9
309.11139	1.8
309.14771	1.6
311.12659	1.2
313.03366	0.8
319.09641	10.7
319.13297	2.6
321.07523	2.0
322.08340	3.6
323.09097	2.1
337.10715	100.0
337.14319	7.3
338.10989	2.2
355.07703	1.0
355.11688	25.4
355.15475	3.4
355.26282	0.9
356.12149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21597	2.7
53.03923	3.9
55.01855	5.1
55.05504	20.8
56.05834	4.2
57.03434	7.1
57.07052	6.8
58.82901	2.3
58.94953	2.5
65.03926	4.2
67.05502	92.1
68.05843	32.1
69.07074	19.5
70.07393	4.8
71.08604	4.5
71.58449	3.5
71.58821	3.5
74.98610	2.2
76.56290	2.2
79.05492	59.9
80.05830	20.6
81.07058	100.0
82.07387	32.2
83.04995	6.2
83.08613	8.9
84.08956	4.1
85.06540	3.1
86.06841	2.4
90.72099	2.4
91.05408	24.2
92.05811	8.9
93.06480	4.1
93.07044	66.5
94.07372	27.1
95.04963	11.2
95.08603	75.6
96.08941	32.3
97.06521	3.2
97.10168	6.6
99.08094	3.7
105.07017	21.7
106.07339	8.3
107.08591	40.0
108.08929	22.0
109.06522	2.8
109.10154	29.4
110.10481	10.5
113.09666	2.5
117.07027	10.2
118.07345	4.2
119.08555	17.4
120.08937	6.3
121.10139	27.8
122.10449	19.3
123.08068	3.9
123.11669	12.6
124.12032	7.7
131.08562	22.3
132.08911	13.7
133.10126	10.9
134.10471	5.1
135.11700	21.2
136.12021	17.0
137.13222	6.4
138.99849	2.9
145.10115	11.2
146.10466	13.3
147.04443	5.6
147.11687	9.8
148.12041	6.2
149.13245	15.0
150.13589	13.3
151.03889	58.2
159.11714	8.6
160.11986	8.3
161.13257	9.7
162.13599	6.7
163.14830	13.6
164.11549	3.0
164.15161	10.3
173.13281	10.1
174.13622	13.1
175.03954	8.3
176.15215	3.4
178.16766	3.9
187.14760	7.3
188.15140	10.1
198.55820	2.7
201.16193	2.7
202.16663	3.2
205.08484	5.8
234.22971	5.6
243.21149	7.9
244.21391	27.9
255.20667	3.1
261.22043	13.7
262.22476	77.1
283.09668	3.0
285.01288	4.2
299.08762	3.8
305.20932	4.2
336.26221	9.8
354.26761	10.1
355.15414	3.7
355.26501	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62597	14.8
51.75818	13.4
55.05512	20.9
57.18307	16.9
57.31997	14.8
58.06601	28.0
59.46687	12.6
60.04523	14.4
70.92928	21.3
70.93261	34.2
81.07083	19.7
90.84724	13.5
91.05801	67.1
95.08606	25.9
100.87663	14.6
109.10176	15.1
134.33548	13.6
170.35069	15.4
285.01044	29.2
351.75443	14.9
354.18661	17.4
354.33743	100.0
355.06747	16.2
355.28229	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.05505	3.5
55.75971	0.7
57.03433	1.9
57.07071	3.5
60.17443	0.8
64.13866	0.8
67.05504	14.3
69.07065	3.6
70.06589	61.3
70.09973	0.8
71.08630	0.9
71.58786	1.3
79.05489	6.5
81.07057	16.1
83.08608	1.9
87.09229	1.3
91.05476	3.0
93.07035	7.7
94.07427	0.9
95.08611	11.2
97.07658	4.8
97.10146	0.8
98.06062	1.8
105.07018	3.1
107.08582	5.5
109.10152	4.9
111.08067	0.8
111.11739	0.9
115.08687	100.0
116.09061	0.9
117.07042	1.7
119.08603	2.0
121.10144	5.1
123.11704	2.8
131.08592	0.9
133.10114	1.9
135.11725	3.0
137.13260	1.1
145.10168	1.8
147.11688	1.5
149.13211	1.8
159.11705	1.8
161.13237	0.9
163.14836	1.4
173.13278	2.3
177.05786	0.8
177.16319	1.0
243.21156	1.6
261.22131	8.0
281.08063	1.2
335.30429	4.8
353.13837	1.8
353.27603	1.0
353.31589	3.5
379.66052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
54.21974	3.3
55.01860	7.7
56.75747	3.6
57.03419	6.3
61.02914	8.2
67.05497	8.9
69.03429	43.5
70.39772	15.5
71.05010	4.9
73.02900	6.4
78.29504	3.8
81.03426	27.1
81.07081	6.4
85.02906	100.0
87.00829	46.9
91.05421	8.3
93.07048	7.9
95.08596	7.3
97.02874	30.3
97.06539	4.8
99.04465	18.2
105.01867	66.2
107.04937	6.2
107.08601	4.4
109.02875	24.4
109.10136	5.1
112.23144	3.5
127.03909	63.2
129.01814	4.4
145.04947	32.2
147.04417	4.3
159.02908	13.7
167.07027	7.5
168.07451	4.8
173.13213	3.6
178.16936	4.4
189.03937	3.8
191.06956	5.4
192.07491	8.0
192.84473	4.1
215.25278	4.2
231.05031	16.3
262.09579	4.3
290.08868	5.0
322.11551	9.1
354.14276	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00888	2.9
55.05503	15.2
57.03419	5.5
57.07076	4.6
67.05500	88.8
69.07078	15.2
70.32681	5.4
70.33069	6.5
73.90578	3.2
74.69894	2.8
79.05484	49.2
81.07053	100.0
83.08620	5.3
83.31026	2.9
91.05471	19.7
93.07041	60.4
95.08601	71.7
97.06499	4.0
99.08098	3.2
105.07017	14.6
107.08586	38.8
109.10145	30.9
113.09663	2.7
117.07010	9.4
119.08559	17.8
121.10141	34.2
123.11689	18.7
131.08566	23.2
133.10144	15.8
135.11674	26.5
137.13240	8.5
145.10101	14.7
147.11662	10.3
149.13255	21.9
159.11665	17.6
161.13248	10.6
163.14807	9.6
165.91365	3.0
172.24521	3.2
173.13268	19.2
175.14853	4.5
177.16397	6.0
187.14783	11.3
199.97890	3.0
233.22696	3.9
243.21100	19.4
261.22107	87.2
279.23172	4.5
335.25729	6.5
346.72720	3.3
353.26883	18.6
367.90643	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
55.05519	21.2
56.96565	4.0
57.07064	7.3
62.40518	3.6
67.05504	80.3
69.03442	2.8
69.07071	26.3
70.94222	8.7
71.04986	4.7
79.05486	64.1
80.05016	4.7
80.05807	8.1
81.07055	100.0
82.07385	7.5
83.04971	3.6
83.08585	13.7
85.06543	5.6
91.05473	29.5
92.05791	5.3
93.06477	5.2
93.07040	82.2
94.07337	6.5
95.04953	4.3
95.08607	85.7
97.06498	7.7
97.10165	9.2
99.08060	5.5
105.07030	38.8
106.07327	6.2
107.08579	51.4
108.08926	5.8
109.06501	9.4
109.10151	38.5
111.08052	6.8
117.07027	9.5
119.08580	28.3
120.08830	5.6
121.10148	39.6
122.10451	3.8
123.08056	12.8
123.11652	16.1
125.09610	9.0
131.08575	24.0
133.10133	21.8
134.10471	4.7
135.08037	3.7
135.11682	31.4
137.02330	6.7
137.09644	5.6
137.13226	5.4
143.08562	3.6
145.10100	18.1
147.11723	17.5
148.12009	5.4
149.09633	8.2
149.13287	22.7
151.11183	8.4
151.14816	3.9
153.12764	4.0
159.11694	14.3
161.13237	15.0
163.11137	6.6
163.14787	13.7
168.17276	3.2
171.11667	3.3
173.13258	15.0
175.14853	6.0
177.12709	2.9
177.16405	3.8
185.13309	4.6
187.14832	6.2
191.14323	6.0
201.16318	6.3
233.07851	3.4
233.22725	4.8
243.21092	18.7
261.22128	48.9
275.21957	3.1
276.20294	4.5
281.10666	3.5
289.25366	5.1
293.23041	6.4
299.23456	6.4
317.24817	31.7
335.25879	26.4
353.09955	5.2
353.13791	4.5
353.25748	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	3.5
55.05510	19.6
56.05011	2.2
57.03425	6.9
57.07064	4.1
58.06600	25.2
59.06932	4.6
60.04513	4.5
60.95858	3.3
62.64491	2.2
63.27034	2.4
65.03951	3.3
67.05503	100.0
68.05830	2.7
69.07064	16.0
69.58041	17.6
71.04989	4.6
74.91166	1.7
75.81695	1.8
75.84378	2.2
79.05490	42.7
80.05832	3.0
81.07056	98.3
83.04948	2.3
83.08618	6.9
85.06518	4.3
91.05472	27.9
92.05812	4.0
93.06474	4.0
93.07038	57.1
94.07365	3.1
95.04985	4.7
95.08601	75.2
97.06499	4.6
97.10183	4.0
100.07606	8.1
101.07943	4.0
105.07014	22.8
106.07362	4.3
107.08593	37.4
109.09461	3.5
109.10155	42.0
109.10818	1.8
117.07003	9.3
119.08587	17.6
121.10137	36.3
122.10471	3.1
123.08063	3.3
123.11719	21.4
125.09625	2.8
131.08577	22.1
132.08876	2.9
132.09883	2.0
133.10126	16.7
134.10481	3.6
135.08119	2.3
135.11694	24.7
137.09615	3.4
137.13239	7.8
145.10124	17.1
147.11687	13.1
149.13249	17.3
151.14813	2.3
154.12283	5.5
155.12573	4.8
159.11668	14.3
161.13263	9.4
163.14877	11.8
172.13290	3.5
173.11845	4.0
173.13202	15.8
175.14792	3.9
177.16325	5.0
180.13646	2.6
187.14830	7.7
197.13492	2.1
217.08572	4.4
233.22592	3.8
243.21074	16.4
251.07799	2.8
258.19214	2.3
261.22128	79.6
261.24881	4.6
276.20404	5.6
279.23242	6.6
293.23026	3.0
307.09494	2.4
325.10767	3.1
335.25800	7.8
353.10123	9.0
353.25565	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66596	3.4
54.44116	3.9
55.05504	13.6
57.07081	6.5
59.71737	3.4
65.03936	4.1
67.05501	81.2
67.89890	3.6
69.07062	15.1
70.30672	17.9
71.04978	4.1
79.05486	43.6
80.11971	3.4
81.07053	91.0
83.08604	5.6
91.05483	18.2
93.07038	52.1
95.04945	4.2
95.08605	63.2
100.39861	4.1
102.09035	3.5
105.07028	14.9
107.08582	37.4
109.06464	4.7
109.10155	35.6
117.06989	9.4
119.08556	14.7
121.10130	29.7
123.11692	16.3
127.83834	3.7
131.08574	24.6
133.10124	8.5
135.11696	29.2
136.61259	3.7
137.13225	5.0
145.10117	15.7
147.11687	8.9
149.13242	22.2
159.11713	16.8
161.13280	9.3
163.14825	9.4
173.13280	19.2
174.54510	3.8
177.16344	5.1
187.14848	8.1
235.35352	4.5
243.21040	23.1
261.22153	100.0
279.23312	4.3
335.25922	6.3
353.26834	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17214	2.9
53.03944	5.1
53.93867	2.9
54.87361	3.2
55.05510	18.3
57.07066	7.8
58.11886	3.1
67.05505	88.4
69.07069	14.7
69.87046	15.2
70.91185	3.0
79.05064	5.1
79.05490	51.4
81.07051	100.0
83.08600	5.3
87.14675	3.1
90.21999	3.1
91.05468	26.8
93.07033	60.1
95.04952	5.7
95.08605	82.4
97.06506	5.1
97.10150	3.9
98.20878	4.3
105.07021	20.1
107.08596	30.3
109.10152	35.7
111.93659	3.1
117.07014	12.8
119.08572	14.7
121.10136	36.8
123.11692	28.5
131.08566	16.1
133.10138	9.6
135.11688	29.9
137.13239	7.5
145.10110	16.0
147.11674	13.8
149.13301	21.3
153.95171	2.8
159.11746	14.8
161.13292	8.7
163.14792	10.5
171.14859	3.1
172.92809	4.1
173.13214	16.0
175.14893	3.9
177.16418	4.1
187.14825	8.8
230.47437	2.8
233.22670	4.2
234.92107	2.9
243.21086	21.4
244.29607	3.3
261.22125	93.2
279.23071	5.1
335.25839	8.4
353.26932	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	3.7
55.05507	16.3
57.03417	8.4
67.05505	86.9
69.07064	13.0
69.34979	36.6
70.55088	3.5
79.05494	47.5
81.07056	100.0
83.08594	7.9
91.05477	21.4
93.07050	53.1
95.04970	3.7
95.08602	73.7
97.10175	3.2
97.16528	3.3
98.21480	5.3
105.07059	16.3
107.08576	33.6
109.10153	32.0
117.06998	6.2
119.08600	11.9
121.10141	25.3
123.08041	4.3
123.11718	22.4
131.08615	15.6
133.10115	14.8
135.11682	22.5
137.13268	7.2
142.01820	3.4
145.10132	9.9
147.11694	11.4
149.13258	16.2
157.02551	3.6
159.11693	10.7
161.13261	6.6
163.14801	15.1
173.13292	16.6
177.16362	3.6
187.14751	8.9
219.17340	3.7
233.22470	5.0
243.21141	16.9
261.22134	79.7
279.23248	3.6
335.25769	7.9
353.26886	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05500	15.1
57.03418	5.8
65.03945	4.1
67.05503	99.9
69.07072	15.8
71.08601	4.9
79.05487	43.4
81.07053	100.0
83.08602	5.7
91.05479	21.5
93.07039	43.6
95.04929	3.6
95.08602	74.2
105.07024	16.1
107.08598	30.2
109.10148	37.4
117.07007	7.8
119.08582	15.9
121.10150	28.3
123.11671	17.6
131.08553	17.7
133.10132	15.0
135.11697	25.4
137.13280	8.4
137.49608	2.7
139.11143	2.6
145.10112	14.7
147.11653	7.3
149.13237	15.2
159.11708	13.1
161.13284	10.7
163.14804	13.5
173.13231	15.7
175.14830	4.5
187.14827	9.9
243.21017	15.8
261.22113	73.6
279.23080	6.7
335.25845	8.5
353.26743	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	5.2
55.05508	19.5
57.03432	5.5
57.07050	4.0
65.03934	3.3
67.05505	94.0
69.07055	9.8
71.08607	2.9
79.05492	43.5
81.06580	6.0
81.07053	100.0
83.08603	6.1
91.05479	18.9
93.07044	51.0
95.04952	4.6
95.08054	5.5
95.08611	67.3
97.10181	3.0
98.32905	3.1
101.06528	2.9
105.07015	16.2
107.08596	34.8
109.10172	33.8
117.07001	12.6
119.08591	10.8
121.10147	31.0
123.11731	18.3
131.08540	21.4
133.10124	9.7
135.11679	17.4
145.10124	13.7
147.11652	8.6
149.13239	13.2
159.11711	12.8
161.13280	5.5
163.14828	9.7
173.13229	11.9
187.14809	6.1
223.99028	3.2
233.22614	3.3
243.21124	14.8
261.22107	54.9
335.25815	5.4
353.26843	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01863	1.3
55.05509	3.4
57.03450	3.1
57.03668	0.6
57.07055	0.7
61.02909	1.0
66.23450	0.6
67.05503	3.9
69.03427	20.8
69.07070	16.0
69.32506	6.4
70.06590	1.0
71.04971	1.7
73.02921	1.3
79.05491	3.9
81.03415	3.0
81.07049	6.2
83.04978	4.4
83.08617	1.1
85.02900	12.7
85.06516	2.5
91.05482	5.0
93.07037	6.0
95.04953	2.0
95.08597	11.0
97.02897	3.5
97.06520	2.1
99.04444	1.5
103.05477	0.9
105.07028	6.8
107.04958	1.6
107.07893	0.7
107.08596	12.6
109.02864	1.4
109.06517	3.9
109.10137	2.8
111.07487	0.7
111.08089	8.4
117.06985	1.6
118.04134	0.7
119.08573	5.8
121.06487	2.0
121.10141	8.1
123.08060	6.0
127.03925	3.6
129.06996	1.1
131.04948	0.9
131.08551	8.4
133.10132	9.6
134.03787	0.6
135.08044	15.8
135.11679	2.6
137.05928	1.0
137.09589	1.3
139.07574	0.7
141.09079	0.9
143.08524	2.4
145.04918	0.8
145.06505	0.8
145.10115	4.4
147.11649	3.6
148.08723	0.7
149.09636	5.8
149.13269	2.7
150.10365	0.6
151.11238	1.2
152.07037	0.9
153.07384	0.6
158.10953	3.3
161.05853	0.7
161.09726	1.1
163.11153	1.1
163.14836	3.5
167.07040	2.6
171.11601	0.8
173.11775	0.8
173.13269	16.2
174.13641	0.7
176.04654	0.7
191.07092	4.4
191.14301	100.0
192.14600	1.4
196.37439	0.7
199.07607	1.1
204.52309	0.7
215.08479	0.8
218.07231	0.7
249.09402	1.3
261.09048	1.8
261.65030	0.6
263.06961	0.9
289.08582	2.1
293.11996	1.6
321.11185	3.6
353.14337	2.6
353.19571	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.7
53.03955	2.3
55.01846	0.8
55.05261	1.4
55.05510	16.9
57.03440	7.0
57.07065	3.4
65.03931	3.4
67.05503	98.4
68.05848	0.9
69.06720	1.5
69.07066	12.9
71.04982	2.5
71.08624	1.3
73.01074	0.8
75.04481	1.6
78.25021	0.8
79.05489	44.2
81.07052	100.0
83.04984	1.4
83.08622	5.9
85.06541	3.1
89.60446	1.0
91.05479	22.5
91.06014	1.5
93.07040	52.6
95.04972	4.0
95.08603	68.8
97.06516	2.5
97.10175	2.8
98.20779	1.8
99.08083	1.6
105.07025	14.8
107.08593	32.1
109.06527	1.1
109.10154	33.6
109.70828	0.9
111.08090	2.0
111.11665	0.9
113.09664	0.9
117.07024	8.3
119.08570	12.5
121.10133	27.3
123.08034	2.4
123.11703	18.2
131.08565	20.8
133.10130	11.8
135.11684	24.3
137.09645	0.9
137.13219	8.6
139.11188	1.1
144.09441	0.8
145.10114	13.6
147.11684	8.6
149.13255	17.7
151.14816	1.7
153.12735	1.3
154.17218	0.9
159.11688	13.5
161.13266	8.7
163.14833	10.4
165.12668	1.1
173.13263	13.7
175.14827	2.9
175.48662	0.8
177.12688	1.1
177.16371	4.5
179.14360	1.1
184.53911	0.8
187.14819	10.4
189.16422	0.9
201.16388	2.4
205.15945	1.1
228.35294	0.8
229.14523	1.0
233.22690	2.6
243.21072	16.1
261.22125	75.0
262.22452	2.1
279.23160	5.7
314.51636	0.9
317.64798	0.9
335.25693	7.8
353.26877	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60159	3.8
53.03943	5.3
55.01861	10.8
55.05504	32.1
57.03435	9.7
57.06833	3.6
57.07068	24.5
57.41542	4.0
59.05009	3.7
67.05502	40.6
69.03429	79.7
69.07069	45.4
69.33199	19.7
69.33629	15.7
70.06583	5.4
71.01344	6.8
71.04986	5.4
79.05495	30.0
81.03409	12.0
81.07055	80.8
83.04986	19.6
83.08609	37.0
85.02901	35.8
85.06542	10.0
91.05460	25.9
93.07044	55.9
95.04956	25.6
95.08607	69.0
97.02878	20.3
97.06534	12.4
99.04438	9.9
102.61642	3.3
102.91393	3.4
105.04532	3.4
105.07021	32.2
107.04961	8.4
107.08591	82.0
109.02892	3.8
109.06512	33.4
109.10153	38.7
111.04462	10.4
111.08067	37.7
113.09695	4.3
115.03928	9.2
117.07011	8.9
119.08570	34.7
121.06509	12.1
121.10135	100.0
123.04381	5.6
123.08069	28.4
123.11705	56.4
125.05994	9.7
125.09634	8.8
127.03925	15.7
127.07516	3.6
129.06952	3.5
131.08592	13.6
133.06523	5.4
133.10120	25.7
135.08043	28.0
135.11703	35.8
137.05977	7.4
137.09641	13.3
137.13264	10.2
139.07478	6.6
143.08533	5.9
145.04971	5.8
145.06526	5.1
145.10127	11.1
147.08040	5.9
147.11652	13.7
149.09628	12.5
149.13251	65.2
151.07513	6.3
153.09113	11.5
155.07071	4.1
159.11697	4.2
161.09648	5.5
161.13274	12.7
163.11183	8.5
163.14838	33.3
165.09120	4.7
167.07033	4.4
167.14363	19.0
171.10185	4.6
173.09584	7.9
173.13275	16.1
175.11174	7.8
175.14908	4.6
177.12740	8.1
179.14320	17.1
187.11060	5.8
189.12741	9.4
191.07083	5.8
191.10699	10.1
191.14294	68.5
203.14255	5.7
207.13774	6.6
209.15370	31.2
215.14319	5.1
231.13892	4.3
278.09601	3.7
280.02444	4.1
335.18533	10.7
353.19580	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25657	1.5
55.01864	2.0
57.03431	2.6
67.05499	2.4
68.09837	1.4
69.03428	19.2
69.07065	16.0
70.91737	3.9
71.04991	2.4
79.05484	2.2
81.03426	2.7
81.07056	6.1
83.04971	4.6
83.08629	1.6
85.02903	13.4
91.05483	5.9
93.07020	3.5
95.08605	7.6
97.02885	2.7
105.07011	5.0
107.08564	10.0
109.06530	1.7
111.08059	4.7
113.59335	1.6
119.08572	5.8
121.06480	3.7
121.10140	6.3
123.08064	5.5
127.03934	2.4
131.08580	8.7
133.10129	7.1
135.08051	16.8
135.11674	2.6
144.09497	2.0
145.10095	3.2
147.11624	2.1
149.09619	4.7
149.13249	3.2
149.96645	1.6
151.03873	2.1
154.33894	1.8
158.10915	3.9
163.14738	2.0
173.13274	19.5
179.03503	2.5
191.14296	100.0
192.14572	2.2
209.15599	1.7
220.73146	1.6
268.90259	1.7
353.19791	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01855	0.9
55.05503	2.3
57.03428	2.6
59.90248	0.8
61.02920	2.1
65.03957	1.0
67.05505	3.9
69.03429	20.8
69.07066	16.4
69.71198	5.9
70.06591	1.6
71.04982	1.5
73.02901	1.2
79.05491	4.7
81.03416	3.3
81.07064	4.9
81.43516	0.8
83.04984	6.3
83.08628	1.7
85.02905	17.3
85.06553	2.4
91.05467	5.9
93.03403	1.0
93.07049	5.7
94.06569	3.2
95.04981	3.0
95.08610	7.8
95.10066	0.8
97.02888	3.6
97.06540	1.4
98.20774	1.6
98.97578	1.0
99.04464	1.8
101.02383	0.8
105.07027	6.4
107.04960	1.8
107.08598	11.3
109.02874	2.4
109.06529	3.9
109.10147	1.0
111.04435	2.8
111.08075	7.0
117.07006	1.4
118.06519	5.3
119.08569	6.2
121.06486	2.6
121.10155	7.2
122.06045	4.7
123.04436	5.7
123.08055	5.3
127.03938	5.5
129.05498	1.7
131.08574	9.7
133.02876	1.8
133.10124	7.2
134.03667	1.6
134.05940	1.3
135.04411	1.0
135.08046	16.1
135.09003	1.3
135.11711	3.0
137.09657	0.9
139.03877	1.0
143.08525	1.7
145.04955	1.4
145.10165	4.2
146.06018	13.2
147.11690	2.6
149.09581	6.1
149.13284	2.6
150.05563	1.2
151.03943	1.9
152.66455	0.9
158.10939	2.7
158.14531	0.8
161.02406	2.1
161.09636	0.8
162.05536	1.5
163.03784	1.0
163.14819	4.1
164.07091	5.9
173.13261	15.8
174.05507	65.8
176.11925	0.9
179.03398	2.0
185.07097	4.8
191.14305	100.0
192.06554	33.8
192.14674	1.9
209.15422	0.9
218.98845	0.9
244.99792	0.9
272.09143	1.1
335.12509	1.2
353.13202	1.8
353.19693	10.0
354.11798	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31750	0.6
51.03867	0.6
53.03938	1.7
55.01861	0.8
55.05489	3.2
57.03421	2.1
57.07050	0.9
59.71116	0.6
61.02932	1.5
64.97130	0.7
67.05487	3.1
69.03422	17.6
69.06721	1.1
69.07063	14.1
71.01330	0.8
71.04962	1.6
71.26730	1.2
72.08137	1.1
73.02895	1.7
73.32467	0.6
79.05497	4.2
81.03401	2.8
81.07054	5.5
83.04977	4.5
83.08603	2.6
84.08111	0.7
85.02425	1.1
85.02904	12.3
85.06525	2.1
91.05457	4.7
93.07037	5.1
95.04959	1.9
95.08614	7.2
97.02886	3.2
97.06522	1.8
98.42896	0.7
99.04428	2.0
104.52842	0.7
105.07034	7.6
105.89315	0.7
107.04937	1.1
107.08589	14.4
109.02876	1.6
109.06487	2.9
109.10152	2.5
111.04442	1.3
111.08079	5.7
117.06986	1.0
119.08575	7.3
120.08092	0.9
121.06490	3.0
121.10133	10.8
123.04417	2.0
123.08069	4.6
127.03930	3.7
131.08565	9.8
133.02818	1.3
133.10115	9.7
135.08044	18.7
135.09006	1.5
135.11664	3.7
137.09590	1.7
143.08528	2.2
145.04930	0.9
145.10098	4.1
147.07932	0.8
147.11676	4.5
149.09598	5.8
149.13219	3.8
150.05525	0.9
158.10936	4.5
159.09181	1.6
159.11752	1.0
163.11192	0.7
163.14813	5.1
173.13260	19.3
175.14771	2.3
179.03355	1.4
189.12724	1.2
191.14301	100.0
192.14546	1.7
201.10204	2.0
209.15483	1.7
217.42906	0.7
247.96404	0.8
320.32932	0.8
353.16467	3.0
353.19629	6.0
366.84161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.138
Annotation	Sigmoidin H
Peak:m/z	Relative Intensity
55.05508	5.4
56.05027	0.9
58.06578	1.3
60.04512	0.7
67.05505	2.2
68.05816	0.4
69.07050	0.9
70.07370	0.4
70.13945	1.8
79.05480	2.3
81.07028	1.2
88.59046	0.3
91.05466	1.5
92.05777	0.4
93.07032	1.3
95.04969	0.6
95.08582	1.6
100.07588	0.5
105.07007	1.6
107.04960	0.9
107.08550	0.7
108.08907	0.4
109.10117	1.4
109.37165	0.3
117.07053	0.4
119.04900	0.4
119.08575	0.9
121.10081	0.8
122.10429	0.5
123.00748	0.7
123.04414	0.4
128.06215	0.8
129.07030	1.8
130.07790	0.6
133.02840	0.4
133.10208	0.7
134.10437	0.4
138.09888	0.4
143.08514	0.9
145.06462	0.4
146.07275	0.4
147.04414	3.7
151.03888	1.3
154.12254	2.3
155.12598	2.1
157.06445	0.8
158.07281	1.4
159.08006	0.4
161.02348	2.6
161.05937	0.9
161.09621	0.6
162.30067	0.4
163.03883	0.8
167.03410	0.7
171.08002	0.5
172.13287	1.4
173.06050	0.3
173.13628	1.2
175.03917	2.5
175.07487	1.8
185.05975	5.5
187.03900	5.3
187.07562	1.2
189.05496	1.7
189.09146	0.5
196.13255	0.6
197.13602	0.8
199.07539	2.6
202.06261	1.2
205.04906	1.8
215.14357	0.5
217.08583	100.0
218.08920	1.5
220.07323	0.6
261.22015	0.9
263.93170	0.4
270.16367	0.4
276.20297	0.8
305.08127	0.7
335.12729	1.0
353.13690	1.0
353.25296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0842
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
51.59915	3.3
54.58946	3.0
56.53058	3.6
69.24164	2.8
70.09492	6.2
70.09910	10.4
73.24076	3.2
83.79398	3.4
91.02151	2.9
98.20810	3.5
160.85503	3.7
224.12914	3.3
353.08401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
53.83823	2.5
55.01866	5.5
55.05509	24.5
56.05029	7.7
57.03434	4.9
58.06598	2.7
60.04530	16.3
60.93599	2.5
65.03925	3.8
67.05501	39.9
67.26915	2.5
69.07073	37.2
70.06590	5.7
70.83042	5.5
79.05484	34.9
80.05013	34.1
81.03381	4.1
81.07054	37.2
82.06585	4.7
82.07379	3.3
83.04964	5.9
83.08620	9.6
84.08134	3.0
85.06534	3.8
91.05463	32.3
91.28404	2.6
92.05804	3.6
93.05782	2.8
93.07040	25.8
94.06566	25.6
94.07079	3.3
94.07389	2.7
95.04949	10.7
95.07352	3.5
95.08610	34.5
97.06517	6.0
97.10142	8.7
105.07018	36.8
106.06561	5.2
106.07378	3.2
107.04971	4.6
107.08589	29.7
108.08123	12.9
109.06582	3.5
109.10168	11.1
117.07011	8.0
119.08590	21.7
120.08072	6.3
120.08861	4.5
121.10138	9.1
125.09659	4.2
131.08551	11.2
133.10146	18.9
135.08101	3.0
135.11687	4.6
136.11200	3.1
137.09569	5.5
143.08531	3.9
145.10103	11.2
147.11670	12.6
149.09604	4.8
149.13268	4.5
154.12244	10.1
159.11674	7.9
161.13225	6.7
163.11209	4.6
171.11725	2.8
172.13408	4.0
173.13284	4.7
177.12741	6.6
192.13837	3.4
204.13843	24.9
206.15445	5.5
210.14908	3.5
213.16554	3.3
217.63411	3.4
222.14851	36.4
222.16841	3.7
224.16475	5.8
257.18973	12.3
260.20883	3.3
272.20148	3.9
274.21606	17.7
275.20020	38.9
278.22076	3.8
290.21063	3.5
292.22687	100.0
316.22662	6.0
334.23776	17.1
352.18631	3.6
352.24933	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20189	2.0
53.03936	3.5
55.01869	3.8
55.05513	14.4
56.05022	8.1
56.96555	2.6
57.07081	2.4
60.04515	15.8
65.03949	2.8
65.24445	1.7
67.05171	3.7
67.05502	41.0
67.86395	1.8
69.03419	4.7
69.07068	38.4
70.06575	4.7
70.64915	6.7
79.05490	32.0
80.05019	15.1
81.03402	4.5
81.07051	35.3
82.06564	4.3
82.07390	2.1
83.04980	5.6
83.08620	6.0
84.08148	2.1
91.05475	26.2
93.05811	2.4
93.07050	33.9
94.06564	20.9
95.04974	8.9
95.07351	5.6
95.08603	23.3
97.06525	6.5
97.10159	6.4
98.06073	2.8
99.04405	2.3
105.07031	29.2
106.06541	4.9
107.04974	3.0
107.08592	19.6
108.08105	7.4
108.08802	1.8
109.06502	4.1
109.10153	11.2
110.06056	2.2
110.10487	2.3
111.08051	3.7
117.07008	7.3
119.08581	19.1
120.08097	4.5
121.06512	2.2
121.10142	20.5
122.09694	3.8
123.04430	6.3
123.11670	2.6
125.09624	2.3
127.40512	2.0
129.06992	3.2
131.08536	11.6
133.10132	15.3
134.09656	6.1
135.08080	3.0
135.11678	3.8
136.11180	3.9
137.09590	6.2
138.12753	8.4
145.10097	12.6
147.04343	2.7
147.08051	2.0
147.11737	10.7
148.11127	2.6
149.05994	2.1
149.09619	5.8
149.13286	3.3
150.12825	3.0
152.60983	1.9
154.12230	4.6
159.11693	7.9
161.13324	5.6
163.11197	7.0
164.14334	2.3
173.09654	2.3
173.13269	3.4
175.14636	2.1
176.14319	4.0
177.12764	23.6
180.13878	4.5
185.45038	2.2
187.29355	2.1
191.07071	4.2
194.15332	4.2
198.14925	2.6
204.13870	13.3
206.15428	4.7
208.13382	2.2
212.16403	2.7
222.14862	19.2
223.15425	3.0
224.16389	3.1
236.16425	5.4
246.22324	2.5
257.18918	9.8
274.21613	23.7
275.20071	34.8
275.22818	3.4
289.80856	2.0
290.21255	3.9
291.09729	2.2
292.22702	100.0
301.64761	2.0
310.24072	2.9
334.23758	19.1
352.24844	38.1
353.10062	8.0
353.13852	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01875	1.7
55.05502	2.2
56.23162	0.9
56.96564	1.6
57.03437	1.8
58.06588	2.0
58.61952	1.0
59.05008	1.1
61.02921	3.2
66.94430	1.1
67.05495	3.0
69.03429	11.3
69.07069	2.7
70.06593	18.1
71.57040	1.7
73.02916	1.2
79.05507	1.0
81.03419	4.7
83.04981	7.3
84.08121	5.3
85.02421	1.9
85.02901	20.5
86.09705	8.6
87.04480	2.2
91.04001	1.4
93.03407	1.1
95.04977	1.9
96.08158	1.1
97.02898	6.9
97.10169	1.0
98.06078	1.2
98.97581	2.6
99.04416	1.6
107.04952	1.4
109.02916	2.2
110.07150	1.7
111.04455	8.1
116.07086	4.2
116.98618	1.4
123.04420	6.5
126.12792	22.4
127.03896	6.0
128.07101	4.1
128.98604	1.1
129.05466	3.9
133.02811	1.1
134.99719	1.2
135.04420	1.8
138.05515	1.5
139.03978	2.4
140.07043	1.2
144.13832	68.6
145.04990	2.8
151.03889	1.9
153.06989	1.3
161.02353	2.8
163.03917	4.3
172.01872	1.0
172.13316	8.1
179.03406	3.4
190.07133	7.2
190.14383	100.0
191.14655	1.7
199.07425	2.0
207.02899	1.2
214.14447	1.2
237.02826	1.8
352.19632	2.7
353.08374	1.9
353.12433	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75903	2.7
53.03945	5.7
55.01864	7.8
55.05499	4.5
57.03425	8.6
61.02916	5.3
67.05496	9.3
69.03430	37.0
69.07066	59.1
69.43197	27.7
70.06593	8.2
71.04984	9.7
72.08157	3.7
73.02920	6.3
79.05485	6.9
81.03410	24.0
81.07059	10.4
82.07381	3.9
83.05002	3.5
85.02901	100.0
85.06537	4.4
85.64385	2.4
85.75450	3.1
86.09686	6.1
87.00830	38.3
91.05473	7.9
93.07043	8.6
94.06501	3.8
95.04997	4.2
95.08618	8.0
96.08905	3.1
97.02885	54.7
97.06522	6.3
99.04449	13.7
105.01865	88.8
105.07010	8.5
106.38651	3.3
107.08582	6.0
109.02898	21.8
109.10146	6.0
111.08096	5.8
117.06943	3.0
119.08568	7.1
121.10078	3.9
123.11733	2.9
127.03912	84.7
129.10240	3.8
131.08578	4.0
133.10100	3.2
135.04568	3.0
145.04958	48.4
145.10165	4.2
147.04433	4.1
152.07162	4.0
159.02925	11.2
163.11133	3.1
191.14297	4.4
211.01379	2.9
231.04990	21.1
249.06049	9.1
321.11209	4.7
340.56436	4.3
352.12512	3.1
353.14917	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01865	1.9
55.05499	2.7
56.96554	3.4
57.03420	2.8
58.06598	15.4
59.05004	1.5
61.02913	4.0
63.65671	0.8
65.03941	2.0
67.05505	4.8
68.99765	0.8
69.03078	1.4
69.03425	16.9
69.07069	10.6
69.59116	3.4
69.59551	3.1
70.06579	3.9
71.04973	1.1
72.08156	1.5
73.02895	2.1
75.24693	0.9
81.03417	5.1
82.06512	0.8
83.04975	13.7
83.06110	0.9
84.08126	2.8
85.02433	1.7
85.02901	24.9
86.06013	0.9
86.09296	0.8
86.09717	7.9
87.04446	2.8
91.03934	1.5
93.03397	1.7
95.04957	3.9
95.08595	1.2
97.02885	9.3
98.97590	4.3
99.04459	1.2
105.03432	1.0
107.04932	3.8
109.02865	3.7
110.07150	1.2
111.03725	1.1
111.04438	14.5
112.07578	0.9
116.98615	4.3
123.04425	13.1
126.12792	20.8
127.03928	4.9
128.98558	1.5
129.05470	6.6
133.02852	3.2
134.99605	2.7
135.04388	2.7
137.02315	3.8
137.06041	0.9
139.03882	3.6
144.13829	71.5
144.85054	0.9
145.02773	1.2
145.04956	2.4
146.99625	2.0
151.03897	3.2
157.04938	1.5
161.02379	6.2
162.05450	1.8
163.03925	7.8
172.09659	1.9
172.13293	7.0
173.05901	0.9
177.00694	2.3
178.08649	0.9
179.03461	5.7
181.06374	1.3
190.04953	2.0
190.14371	100.0
191.14661	1.6
197.04413	2.1
197.05997	1.3
199.07466	1.5
203.05507	1.1
207.02882	3.3
219.01794	1.3
220.11954	1.8
225.05495	1.3
237.02815	2.1
271.06018	1.6
310.08917	2.1
328.08441	1.2
352.10425	2.6
352.19672	5.3
353.08380	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	3.1
55.05508	34.2
57.03439	19.5
57.07056	7.2
59.35679	2.6
62.06078	5.8
67.05502	87.3
69.07065	41.0
70.31509	8.9
71.08630	4.3
79.05486	24.6
81.07053	100.0
83.04971	2.4
83.08618	24.3
91.05484	16.3
93.07044	27.9
95.05003	3.3
95.08601	80.0
97.06528	6.4
97.10148	18.1
101.23420	2.9
102.03205	2.9
105.07007	12.0
107.08591	19.9
109.06521	3.9
109.10147	33.8
111.06835	3.0
111.11700	3.5
119.08566	15.4
121.10136	15.3
123.08089	3.8
123.11701	15.0
131.08569	2.7
133.10127	11.7
135.11682	11.7
137.13246	6.0
145.10205	3.0
147.11731	6.4
149.13362	6.3
155.29878	2.6
161.13293	6.4
163.14815	3.0
165.12877	3.1
175.14850	4.2
207.17404	2.9
207.69652	2.5
231.20874	2.8
259.20624	6.2
259.24176	6.2
277.25333	11.4
309.69107	2.7
314.61981	2.8
351.28931	87.8
352.29065	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01873	13.4
55.05515	25.7
55.43531	2.2
56.05029	2.7
56.96566	19.2
57.03436	11.7
58.06601	20.9
60.04522	4.5
65.03954	5.4
67.05501	62.7
68.05469	2.4
69.03426	3.1
69.07067	28.0
70.74020	5.9
71.04990	7.4
71.08636	6.9
79.05492	75.4
81.07054	100.0
83.04973	5.7
83.08630	14.8
85.06522	5.1
88.05733	2.5
91.05474	56.3
93.07041	87.0
95.04956	11.1
95.08602	49.7
97.06540	15.4
97.10174	6.0
99.08088	8.5
100.07632	7.6
103.83894	2.1
105.07023	60.6
107.08586	50.7
109.06509	15.8
109.10135	24.7
111.04411	13.5
111.08076	5.8
117.07017	13.6
119.08580	47.8
121.06498	2.5
121.10139	35.7
123.08076	5.2
123.11707	5.8
125.09622	4.1
125.50784	2.2
127.07510	2.2
128.98601	2.2
129.07014	7.6
131.08582	19.5
133.10130	51.3
135.08052	5.2
135.11691	47.0
137.05962	63.0
137.09584	6.6
137.13260	3.8
143.08563	11.8
145.10129	17.7
146.99687	3.5
147.11679	45.9
149.09576	5.9
149.13240	24.0
151.11188	4.5
153.09102	3.2
154.12271	7.2
157.10133	7.7
159.11723	22.0
161.09639	5.9
161.13228	31.0
163.11209	6.9
163.14824	10.0
165.09157	3.3
165.12755	7.3
166.07799	2.4
167.03403	3.8
171.11690	11.4
172.13477	2.9
173.04959	2.7
173.11804	3.4
173.13258	8.7
175.11186	4.3
175.14838	11.4
177.12703	5.8
179.14307	6.6
185.13255	8.7
187.14764	2.5
189.12723	3.7
189.16391	4.2
191.14342	3.8
196.13336	3.5
199.14828	5.8
203.14417	2.7
203.18007	3.3
209.94699	2.7
211.59294	2.2
213.16321	5.9
215.39424	2.3
217.07544	3.6
221.19009	3.1
231.17415	8.4
231.21083	6.4
241.19441	18.0
243.09109	5.7
249.18468	5.4
249.22250	2.8
259.20563	69.7
261.10214	3.0
275.19855	5.8
277.18506	15.7
277.21399	19.7
289.21631	4.0
292.22708	5.6
295.19122	6.8
333.17273	13.2
333.24274	3.9
351.12192	5.3
351.18607	25.5
351.25220	61.5
352.24982	7.2
369.19501	8.9
374.19748	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01874	4.6
55.05506	27.8
55.89862	2.1
56.41024	2.0
57.03438	47.4
57.07070	3.7
65.03941	3.1
67.05500	67.8
69.07063	24.4
69.39069	19.4
71.04996	5.6
71.83726	1.8
79.05489	68.3
81.07053	85.2
83.04998	4.8
83.08620	21.2
85.06560	6.7
91.05476	54.3
91.06011	3.8
93.07042	100.0
95.04976	11.0
95.08606	65.0
97.06511	6.2
97.10168	6.0
98.20815	5.1
99.08112	5.8
100.43284	2.3
104.30080	2.2
105.07024	54.1
105.07676	3.8
107.08591	55.4
109.06515	6.1
109.10146	20.9
111.08081	5.8
113.09658	2.8
117.06995	13.0
119.08567	44.4
121.10139	48.4
123.08041	2.4
123.11714	6.5
125.09606	5.4
129.07004	7.8
131.08568	21.2
133.10130	44.0
135.08105	3.0
135.11684	43.1
137.09590	2.7
142.07765	2.5
143.08563	8.2
145.10121	25.4
147.11694	44.2
149.09660	3.8
149.13254	22.3
151.11171	2.6
157.10117	8.8
159.11671	19.8
161.13251	22.5
163.14844	7.0
165.12845	3.1
165.36411	2.2
171.11656	11.9
173.13312	10.3
175.14816	12.9
179.14256	2.2
185.13179	11.9
187.14769	11.3
189.12679	2.7
199.14812	4.6
201.16203	2.2
203.14363	3.2
205.15932	2.7
213.16400	4.9
218.72491	2.6
221.19067	4.2
231.21159	5.6
241.19499	24.1
259.20566	64.1
260.20947	2.6
277.21628	18.8
333.24261	4.9
351.25262	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.4
55.01863	4.3
55.05507	38.7
56.96570	2.6
57.03432	25.0
57.07067	6.8
60.04520	4.2
62.50617	2.4
65.03921	3.8
65.79362	2.7
67.05498	87.2
69.03412	4.9
69.07058	35.1
69.93477	6.8
69.93893	11.5
71.04990	4.2
71.08624	29.6
79.05490	68.2
80.05003	5.7
81.03406	11.1
81.07049	78.4
83.04990	12.3
83.08624	14.9
85.06545	5.5
91.05480	49.1
93.07036	78.2
95.04971	11.9
95.08598	55.5
97.06501	6.2
97.10153	8.8
98.20837	4.3
99.08077	25.0
105.07021	50.0
107.04948	4.7
107.08588	55.3
109.06510	8.8
109.10155	22.7
111.08053	4.4
113.09631	3.5
117.07015	12.1
119.08572	43.5
121.10130	34.6
123.08050	5.7
123.11726	6.1
125.09602	6.4
129.07027	7.3
129.52661	3.1
131.08571	18.7
133.10106	29.4
135.08067	7.4
135.11673	25.4
137.09579	4.3
137.13232	4.1
143.08566	8.9
144.36990	2.7
145.10095	18.3
147.11681	32.0
149.13219	17.7
151.11186	15.7
157.10139	8.5
159.11708	11.4
161.13246	22.9
163.11230	6.5
163.14818	5.8
165.12706	3.8
171.11716	10.2
173.11873	2.7
173.13301	7.7
175.14833	10.6
176.98448	2.7
177.12740	6.1
179.14319	11.0
185.13287	7.9
187.14752	4.1
189.11252	3.6
189.82767	2.6
199.14799	3.9
201.16359	3.0
221.15370	3.5
222.14694	4.5
231.21082	6.1
241.19513	17.9
259.20523	44.3
261.13391	3.0
274.21759	2.9
275.20111	4.3
277.21603	32.2
292.22690	15.9
299.15851	3.1
333.24500	4.6
351.12476	6.7
351.17603	6.5
351.21384	100.0
351.25296	36.7
352.21301	5.1
352.25092	8.3
357.05066	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01847	7.9
55.05504	28.8
56.96559	19.2
57.03436	24.3
57.07071	4.6
58.06574	3.2
65.03929	6.0
67.05499	82.8
69.07064	35.9
71.04987	6.1
71.08618	6.2
71.58107	4.2
71.95239	2.8
74.97192	2.4
77.03902	2.3
79.05487	81.9
81.06587	4.6
81.07051	84.4
83.04966	8.4
83.08613	17.3
85.06548	5.9
91.05468	67.6
91.60979	2.6
92.48427	2.9
93.07040	100.0
95.04967	15.7
95.08603	55.1
97.06521	8.0
97.10146	7.8
98.09712	2.9
99.08076	8.0
100.07572	3.5
103.05479	3.6
105.07021	60.5
107.04936	6.7
107.08581	49.0
109.06502	8.7
109.10155	26.1
111.04416	3.5
111.08092	5.4
117.07030	12.8
119.08569	51.2
121.10127	37.8
121.88141	2.9
123.08035	7.2
123.11704	7.0
125.09634	7.8
129.06966	9.1
131.08568	23.3
133.10127	41.0
135.04413	3.3
135.08054	3.4
135.11687	38.7
137.05962	13.6
137.09634	6.1
142.07829	3.0
143.08537	11.1
145.10091	21.7
146.99605	4.0
147.11664	40.1
149.09602	6.4
149.13249	19.6
151.11143	7.9
154.12263	4.9
157.10110	10.5
159.11658	21.0
161.13239	32.4
163.11240	4.1
163.14850	5.8
165.12785	3.3
171.11694	10.9
173.13248	9.5
175.14845	12.0
177.12779	5.5
179.14285	4.8
185.13225	9.9
187.14867	5.2
189.12717	3.6
191.14381	3.6
195.13687	3.0
195.17130	2.5
196.13179	3.1
199.14786	8.6
215.07057	3.3
231.21025	7.4
241.19562	17.7
242.05745	7.9
243.06505	11.0
249.21997	3.5
253.00229	4.3
259.20554	55.0
271.01135	3.4
275.20209	3.0
277.21606	18.8
292.22821	7.1
293.08014	5.8
294.02933	3.4
309.11163	5.0
333.17310	5.1
334.23746	3.7
336.32770	2.8
351.12201	6.7
351.18210	14.4
351.21704	4.8
351.25226	54.9
352.24796	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29019	3.6
55.05508	19.6
56.91967	3.1
57.03444	5.1
57.07066	4.4
62.67893	3.1
67.05499	52.6
69.07075	16.3
69.90846	14.8
71.05019	3.5
75.84184	2.9
79.05056	5.9
79.05489	67.0
81.07052	52.1
83.08607	8.7
91.05479	53.8
93.07039	87.9
95.04929	6.8
95.08598	37.0
97.06522	5.7
97.10181	5.2
99.08086	5.0
105.07025	63.4
107.08585	44.8
109.10162	13.9
117.07014	17.6
119.08574	68.2
121.10139	35.6
123.11695	4.3
129.07008	8.9
131.08566	21.8
133.10117	49.1
135.11682	38.6
135.94299	3.8
143.08546	10.5
145.10124	22.9
147.10645	5.4
147.11690	56.9
149.09592	5.0
149.13229	22.5
157.10121	13.2
159.11688	17.4
161.13260	42.7
163.14854	8.2
171.11703	19.6
173.13283	11.2
175.14781	26.5
185.13275	18.7
189.12793	3.3
189.16290	3.8
199.14844	9.0
213.16351	3.7
217.19566	4.2
231.21089	9.5
241.19518	35.6
259.20557	100.0
279.06497	3.4
292.22675	5.3
333.24408	3.5
341.99652	3.2
351.21237	7.7
351.25156	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
53.87228	2.3
55.05511	16.1
57.03435	6.2
57.07055	4.0
65.03952	2.7
67.05169	4.7
67.05502	53.3
69.07066	22.1
69.76266	3.1
70.71195	8.6
79.05491	77.0
79.32049	2.6
80.04992	4.6
81.03408	3.6
81.07055	72.1
81.35998	2.3
83.04978	2.9
83.08603	10.0
85.06539	3.5
91.05480	68.5
93.07040	87.0
95.04955	8.8
95.08612	47.3
97.06516	3.6
97.10151	6.8
99.08115	6.8
105.07027	77.5
107.08597	54.1
109.06515	5.9
109.10141	19.7
111.04410	3.6
111.08041	3.6
113.09605	4.0
117.07011	16.3
119.07796	5.5
119.08577	61.3
121.10137	37.3
123.11660	4.3
125.09637	3.6
129.06961	8.2
131.08548	28.0
133.10121	55.0
135.11671	39.7
137.05956	11.1
137.09590	3.2
142.07809	3.0
142.98033	2.9
143.08556	11.9
145.10100	25.9
147.11679	60.6
149.09544	4.3
149.13237	29.9
151.11174	4.7
157.10138	10.7
159.11693	19.5
161.13261	44.9
163.14838	8.4
171.11629	13.9
173.13249	11.6
175.14795	23.7
177.12762	3.7
179.01706	3.9
185.13240	15.7
189.12679	5.1
199.14796	8.0
203.14389	3.6
213.16266	6.0
215.18094	3.0
217.19618	4.2
228.48697	2.7
231.17461	4.3
231.21049	11.6
241.19476	39.7
259.20572	100.0
275.19897	3.5
277.18683	2.7
277.21655	11.8
292.22650	5.1
333.20224	5.8
351.12225	3.1
351.21164	37.5
351.25287	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.2
57.03420	5.8
57.07072	4.0
59.86111	1.7
61.27929	2.1
67.05503	42.9
69.07061	14.3
69.93566	6.9
69.93987	3.7
71.04968	3.1
74.23807	1.9
79.05487	60.4
81.07056	48.0
83.08612	5.6
85.06549	4.7
91.05475	57.3
91.60941	2.0
93.07038	73.9
93.07632	4.0
95.04969	4.8
95.08612	27.8
95.74414	1.9
97.06493	3.5
97.10143	2.7
98.20718	2.0
98.63623	2.3
99.08090	4.7
105.07031	57.7
107.08595	43.0
109.10150	13.8
110.24485	2.0
113.09643	2.7
117.07005	14.0
119.08575	57.7
121.10138	28.9
123.11728	5.2
129.07018	9.6
131.08580	26.1
133.10130	50.4
135.11685	34.4
137.09653	3.0
143.08583	9.9
145.10117	20.1
147.10513	2.7
147.11682	54.0
149.13280	22.1
157.10146	11.2
159.11705	21.1
161.13260	37.8
163.11165	4.1
163.14825	7.3
171.11725	12.6
173.13246	15.0
173.77393	2.2
175.11063	2.6
175.14828	14.8
185.13275	13.9
199.14786	8.3
213.16380	4.8
215.17990	2.4
231.17442	3.0
231.21080	7.5
236.56746	2.2
241.19496	33.5
259.20560	100.0
260.09222	2.0
260.20935	4.5
269.38617	1.9
277.21689	3.3
333.24222	2.7
351.18265	2.7
351.25287	40.1
352.25534	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	19.8
56.96558	4.6
57.03437	16.8
58.06570	5.0
65.03940	3.3
66.98158	3.7
67.05507	52.2
69.07069	15.6
69.47182	19.7
69.47598	9.6
78.80647	3.2
79.05492	54.3
81.07053	55.8
83.08635	8.8
91.05484	50.4
93.07047	76.7
95.04979	10.9
95.08615	38.5
97.10172	3.4
99.08121	5.7
105.07030	61.4
107.08602	44.9
109.06529	6.0
109.10174	15.6
117.05511	11.2
117.07030	13.2
119.08583	58.8
121.10148	33.6
123.08079	5.5
129.06996	5.3
131.08559	21.4
133.10129	46.2
135.08044	3.9
135.11710	47.0
143.08553	6.2
145.10139	23.7
146.42351	3.2
147.11700	53.9
149.13255	23.5
157.10167	7.5
159.11652	19.7
161.13264	31.0
163.11279	5.0
163.14835	5.9
171.11726	13.8
173.13283	10.4
175.11105	4.0
175.14841	13.9
177.12784	5.2
185.13290	13.6
192.15034	3.5
199.14873	8.2
213.16420	7.7
217.19560	3.3
231.21136	8.0
234.84496	3.7
241.19496	26.3
259.20581	100.0
260.20825	3.7
277.21658	7.7
291.21494	4.4
308.55615	4.0
333.24600	3.5
351.17404	6.7
351.25476	49.4
369.18863	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04003	3.0
53.03936	4.5
55.05507	20.0
55.21680	3.0
57.03423	13.1
57.07050	3.7
67.05499	58.9
67.14707	2.9
69.07063	18.8
69.48257	25.9
71.04990	4.6
75.19656	2.9
79.05489	74.9
81.07052	57.4
83.04989	5.0
83.08627	10.0
83.12888	3.0
85.06574	3.0
91.05472	62.4
91.06015	4.4
93.07037	100.0
95.04982	7.2
95.08599	45.7
97.10162	5.2
99.04452	3.3
99.08096	4.1
105.07022	66.1
107.08578	61.7
109.10167	11.2
117.07014	13.9
119.08573	61.5
121.10130	49.2
123.11711	5.5
129.06996	9.9
131.08571	21.2
133.10132	54.3
135.11699	47.0
137.09608	3.6
143.08548	15.2
145.09113	4.6
145.10086	21.4
147.11678	46.7
149.09625	3.2
149.13249	32.1
157.10149	8.8
159.11699	15.4
161.13263	42.5
163.14792	7.8
164.64919	3.4
171.11618	15.0
173.13245	10.0
174.91470	3.0
175.14816	24.0
181.67783	3.0
185.13203	20.4
189.12637	4.1
195.14030	3.3
199.14716	7.4
203.14435	3.9
205.09537	3.1
217.19615	6.3
220.08916	2.9
231.17551	3.7
231.21057	10.6
241.19507	37.8
246.63393	3.4
255.01907	3.5
259.20581	96.1
259.23318	5.0
277.21695	12.5
292.91467	3.3
327.39124	3.0
333.24164	12.5
351.25259	50.3
352.25653	4.0
363.35101	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
53.70022	2.2
55.05508	20.6
57.03432	8.3
57.07072	2.4
65.03933	4.6
66.92584	1.9
67.05174	4.0
67.05502	49.4
69.03408	2.3
69.07062	22.0
69.82294	12.6
70.07339	2.0
71.04974	5.2
79.05489	76.9
81.07050	71.2
83.04982	2.3
83.08611	9.5
83.09060	2.0
85.06541	3.7
91.05472	69.3
91.06015	4.8
93.07041	97.9
94.07403	2.6
95.04971	12.1
95.08604	35.4
97.06506	4.2
97.10142	2.3
98.21460	4.8
99.08073	3.4
102.69263	2.2
105.07027	71.0
107.04915	2.9
107.08592	57.5
109.06522	5.2
109.10154	21.3
111.08064	2.9
113.09727	2.7
117.06995	13.3
119.08576	63.5
120.21868	2.4
121.09330	3.3
121.10149	45.9
123.11672	4.7
129.07001	8.8
131.08569	24.7
133.10118	56.1
135.11688	46.5
137.05922	3.3
142.07848	2.7
143.08574	10.7
145.10095	27.7
147.08086	2.8
147.11684	52.7
149.09610	4.9
149.13260	25.3
157.10121	10.8
159.11652	21.0
161.09569	2.5
161.13255	38.0
163.11217	4.4
163.14827	10.4
169.10176	2.6
171.11653	18.0
173.13303	11.3
175.14804	21.4
177.12746	2.3
185.13277	15.9
187.14844	5.4
189.12770	2.9
199.14804	8.6
213.16396	5.4
231.17447	3.7
231.21077	11.5
241.19528	34.7
259.20563	100.0
260.21103	3.6
277.21606	14.1
333.24286	5.5
351.21329	9.4
351.25223	40.4
352.25217	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05509	1.6
56.96568	0.8
59.72645	0.9
62.05358	0.8
64.75983	0.7
67.05499	1.8
69.03399	0.9
69.07060	1.6
70.64310	2.5
77.00894	0.8
79.05482	2.8
81.07047	3.4
83.04993	0.9
91.05480	2.2
93.07011	2.6
95.08601	1.6
102.77467	1.0
104.31005	0.8
105.07036	2.5
107.08576	2.6
109.06508	1.1
109.10166	1.3
112.23421	0.9
121.10188	1.4
135.07947	1.1
137.05957	2.9
150.23120	0.7
163.11186	1.0
174.13849	0.8
213.09639	0.9
215.11351	1.0
231.10706	1.5
264.09933	1.3
271.13773	1.7
292.22714	1.1
295.09445	1.0
333.19388	1.3
351.21393	100.0
352.21555	1.8
369.21005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
53.31380	1.0
55.01870	1.6
55.05510	7.7
56.96558	2.0
57.03426	3.2
57.07059	1.2
59.87378	1.3
65.03926	1.3
67.05504	17.5
68.05832	1.4
69.03417	2.3
69.07064	8.5
71.04967	2.2
71.08628	1.9
71.57597	1.6
72.08141	1.0
72.73174	1.1
77.00869	1.2
79.05492	21.1
80.05011	1.8
81.03410	2.0
81.07056	23.3
82.07392	1.4
83.04975	1.8
83.08607	4.5
89.07623	1.1
91.05480	18.4
93.07039	25.6
95.04404	1.1
95.04907	5.2
95.08598	16.4
97.06516	2.2
97.10173	3.2
99.08091	2.5
105.07020	19.8
107.04967	1.5
107.08598	14.9
109.06499	3.1
109.10148	5.5
111.04371	1.3
111.08138	1.0
117.07014	4.8
119.08566	14.0
120.08942	1.2
121.06565	1.3
121.10147	13.0
123.08058	1.3
123.11678	3.7
129.06996	4.0
131.08586	7.0
133.06508	1.2
133.10136	14.0
135.08064	1.7
135.11668	8.8
137.05991	2.2
137.09637	1.4
139.11179	1.1
143.08577	3.4
145.10139	7.4
147.04373	1.4
147.11694	12.3
149.09550	1.1
149.13280	6.0
151.11166	2.6
157.10168	2.0
159.11671	5.2
161.13231	6.6
163.11115	2.1
163.14784	2.5
171.11702	3.7
173.13234	2.6
175.14859	3.9
185.13219	3.9
199.14726	1.3
201.01723	1.7
213.09554	1.2
213.16457	1.4
217.19400	1.2
231.10892	1.4
231.20920	1.8
241.19508	7.3
259.20544	18.3
275.19772	1.2
277.21527	4.3
292.22705	3.4
333.19510	1.5
333.24097	1.6
351.12299	3.3
351.21362	100.0
351.25079	7.8
352.21555	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43606	0.5
52.33840	0.5
55.05492	0.8
55.97459	0.5
56.05033	2.5
58.99591	0.7
62.99061	0.6
65.03951	0.4
67.05510	1.5
69.03432	0.8
70.06580	1.3
70.91468	0.9
70.91806	0.8
76.57873	0.5
79.05502	0.8
81.03399	0.8
81.07059	1.0
82.06574	1.7
83.04981	0.4
84.08141	100.0
85.02909	1.4
85.08479	0.8
86.09698	1.1
91.05489	1.1
93.07059	1.2
95.04992	1.1
95.08599	0.7
97.02889	0.7
101.04239	32.4
104.98386	0.6
105.07032	0.7
108.08125	0.7
109.02835	0.5
110.06081	0.6
111.04468	0.7
112.07609	0.5
119.04931	0.5
121.02864	1.7
121.06489	0.5
122.06033	0.7
124.53829	0.5
125.04184	1.0
127.03927	0.5
127.05775	3.4
128.07083	0.6
129.10263	0.9
130.08640	7.0
135.04466	0.7
136.07570	0.6
138.05428	0.6
138.66933	0.4
147.04410	0.6
147.11292	1.5
159.02991	1.3
161.06100	0.5
162.05490	0.6
162.09315	0.5
163.03905	3.1
173.39156	0.5
177.04030	23.9
187.02512	1.2
201.91072	0.4
205.03535	6.1
206.15428	0.7
219.11159	0.5
254.92310	0.6
270.09857	2.4
288.10843	28.2
289.10992	0.7
333.13318	1.5
351.14078	43.1
357.18845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	1.7
55.73831	1.2
56.96297	2.8
56.96564	33.8
57.03417	3.9
57.72153	1.2
59.27392	1.1
61.02920	3.0
67.05489	2.4
69.03419	9.7
69.07059	1.9
70.06583	3.4
70.14884	6.8
71.04961	1.9
73.02913	3.6
74.77219	1.4
74.87096	1.3
79.05502	1.5
81.03396	4.2
84.04504	3.6
84.08135	3.1
84.96034	6.9
85.02905	16.7
86.03240	1.8
86.09708	2.9
91.22711	1.3
95.04940	2.2
95.06097	1.6
97.02888	6.7
98.02722	1.5
98.21475	1.8
98.97581	53.7
99.04441	2.4
100.99148	3.3
101.00833	1.4
107.04932	2.2
109.02844	2.1
109.10158	1.8
110.97566	12.6
111.04442	1.4
112.99116	2.7
113.48045	1.7
115.00664	2.9
116.98611	32.8
119.00198	4.2
119.01905	3.1
121.10078	1.4
125.22134	1.3
127.00704	3.3
127.03889	5.0
128.98608	19.3
131.00172	6.1
133.01718	2.2
134.99651	15.0
136.06201	2.5
137.01213	1.8
140.07008	1.7
143.00166	3.5
143.01761	1.7
144.98039	2.7
145.01709	3.7
145.03474	2.5
146.99643	19.1
147.03308	12.4
149.01196	4.5
152.10684	3.7
152.98575	2.8
153.11029	5.6
155.01917	1.8
156.07668	1.6
158.29250	1.5
158.99643	19.5
161.01219	9.0
161.02505	1.5
162.99135	6.7
163.02715	3.6
163.03920	3.8
165.00740	3.8
165.04347	16.6
166.54526	1.4
170.99620	8.4
171.12010	2.3
173.03008	4.1
175.02740	2.7
177.00710	27.4
179.02299	1.8
179.55278	1.5
183.05351	1.7
188.12814	11.6
189.00696	9.9
189.04404	7.2
189.05898	2.0
189.09505	1.6
189.13165	14.9
189.55634	2.1
190.04996	2.1
191.05920	2.2
195.01666	1.8
200.02283	1.8
201.00760	4.3
201.04361	2.1
207.01613	2.0
207.05357	6.9
211.02800	1.7
217.03719	2.3
219.01758	33.5
219.05206	2.3
221.04991	3.1
230.38843	1.4
237.02811	68.1
244.04198	3.3
245.05006	2.3
249.06412	2.1
255.03874	5.6
260.04474	2.5
279.03717	2.1
291.07425	49.1
309.05325	3.5
309.08527	100.0
310.08847	3.5
332.10172	6.7
351.09412	18.4
351.18521	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71603	1.1
56.96295	1.6
56.96563	23.9
58.06593	1.4
61.02902	1.1
66.00510	0.9
69.03415	4.4
69.07059	1.2
70.06592	1.3
71.56780	1.2
73.02888	1.3
78.61459	0.9
81.03407	1.2
84.04503	1.4
84.08132	2.6
84.96035	3.3
85.02898	6.0
86.09702	3.8
89.03936	2.0
90.94820	1.3
97.02887	3.0
98.97580	88.9
99.04431	1.2
107.04954	1.6
109.02827	1.3
110.97558	6.1
112.99135	1.2
114.55170	1.0
116.98615	75.5
120.08083	1.3
121.02830	1.8
124.07655	1.1
126.12766	1.4
126.27087	1.0
127.03951	1.9
128.98604	11.1
129.02187	1.1
129.05455	1.0
131.00169	2.7
134.99652	50.1
135.04378	2.7
140.00211	3.0
143.00131	2.8
144.13864	3.7
145.01785	1.5
145.02843	1.1
146.99617	14.3
147.03299	2.7
149.01210	2.5
152.98642	1.8
153.00726	5.7
157.77452	0.9
158.01292	1.7
158.99648	32.3
161.01237	7.1
161.02351	1.1
162.99104	2.2
163.02762	2.6
163.03931	9.6
165.00725	2.3
165.04346	4.4
170.01213	1.2
170.99660	4.2
171.03302	3.3
175.02835	1.1
177.00700	54.3
177.05969	1.4
178.01070	1.1
178.04996	1.0
179.05606	1.0
188.12834	1.3
189.00705	3.5
189.02559	1.5
189.04347	15.3
189.13159	3.4
190.04913	2.1
190.14389	4.9
195.01721	6.8
200.02264	4.5
201.00714	1.2
203.02145	1.2
207.03520	1.5
207.05353	5.7
219.01750	12.9
231.05357	3.5
234.99048	2.3
237.02815	33.5
242.03210	1.3
249.06343	2.5
255.03833	3.8
260.04388	1.9
269.49689	1.0
291.07477	19.7
309.08548	100.0
310.08957	3.6
332.10208	7.7
351.09662	25.0
352.09979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2686
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
50.90278	2.9
52.04245	3.0
55.05503	15.7
56.05025	7.2
58.06594	6.0
60.04528	21.8
60.94960	2.7
65.26888	2.7
67.05507	38.0
69.07074	14.9
70.06593	5.0
71.58651	3.2
71.59123	4.2
79.05495	30.9
81.07063	36.5
82.06564	5.7
83.08615	5.1
84.08105	4.7
85.06521	3.5
91.05468	20.3
93.07029	42.3
94.06552	7.2
95.04977	4.0
95.08604	31.1
96.08128	6.8
97.10159	5.7
97.23544	3.0
98.09695	8.2
100.48380	2.9
105.07003	15.7
107.08584	24.8
109.10154	13.3
117.06998	3.8
119.08568	12.7
121.10168	16.6
124.96574	2.9
125.10966	2.9
128.12236	2.9
131.08582	5.6
133.10139	13.3
135.11708	17.2
147.08064	21.2
147.11668	7.4
149.13222	7.5
149.97287	3.0
154.12262	12.6
159.11737	4.8
161.13261	3.4
164.14369	7.4
186.14885	7.1
226.18105	4.2
266.81189	3.2
276.23196	5.9
291.23083	5.6
308.25781	21.5
350.26886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2691
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
55.05515	33.9
56.05030	10.2
56.28633	6.0
57.07054	7.4
58.02958	16.5
67.05513	59.9
69.07076	50.6
70.06585	32.8
71.08630	39.2
71.50546	12.2
72.08176	9.0
79.05492	64.2
79.32772	5.7
80.05029	6.8
81.07050	52.3
82.06562	22.3
83.08618	17.9
84.04516	9.5
84.08153	45.9
86.09731	6.9
88.11275	87.5
91.05487	55.6
93.07061	43.1
94.06570	56.6
95.04961	11.6
95.08598	44.8
96.04498	6.3
96.08167	28.6
97.06546	10.7
97.10160	14.3
100.07577	7.4
101.61672	5.8
105.07013	31.5
107.08623	28.7
108.08104	12.7
109.06526	5.6
109.10138	27.6
110.09678	14.3
112.07614	16.2
117.07021	11.5
119.08595	19.9
119.56567	6.1
121.10152	25.6
122.09682	8.7
124.11241	18.8
131.08510	8.3
133.10181	12.4
135.11667	8.9
135.42035	6.5
136.11250	8.9
152.10736	9.8
154.12245	6.2
156.13831	9.2
164.14366	11.9
171.11923	6.5
180.13838	9.4
184.16957	10.0
212.16426	35.4
240.16010	6.5
252.19547	26.6
292.22632	24.2
332.25882	21.7
350.26950	100.0
350.34100	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91629	0.5
53.03947	1.0
53.56330	0.6
53.74993	0.6
55.01859	1.3
55.05501	1.3
56.05024	1.2
56.96555	4.6
57.03432	3.3
60.04522	0.8
61.02930	3.4
62.03219	0.5
67.05494	3.7
68.05835	1.3
69.03077	0.9
69.03425	11.1
69.07039	0.6
69.69205	0.6
70.03776	1.2
70.06599	4.3
71.01337	0.7
71.04983	1.4
71.57529	1.1
71.74499	0.6
72.08159	1.2
73.02907	1.9
73.47430	0.5
74.06068	0.7
77.21166	0.6
78.03410	0.5
81.03416	5.6
82.06590	1.1
83.04977	1.2
84.04491	2.7
84.08131	4.8
84.96022	1.3
85.02901	17.2
85.04821	0.9
86.03233	2.8
86.06087	0.6
87.04463	1.5
90.63414	0.6
91.03934	1.2
93.07051	0.8
94.06548	0.8
95.04956	0.9
95.06133	0.7
96.08106	1.7
97.02888	8.3
97.08436	0.6
98.03205	1.2
98.06049	1.1
98.97575	7.4
99.04463	2.1
100.04795	0.6
101.00866	1.6
103.02444	2.0
107.04991	0.7
108.08118	4.6
109.02865	1.8
109.08450	3.9
109.10129	3.3
110.06013	1.0
110.07171	0.8
110.09708	1.2
110.10468	2.5
110.97567	1.6
112.07610	0.7
112.99110	1.5
113.00845	0.7
115.02425	2.6
116.52847	0.6
116.98627	6.6
117.03971	1.1
119.01918	8.6
121.01614	1.2
121.03477	1.2
121.06538	0.7
122.05964	0.9
124.07556	1.5
124.11237	1.0
125.11510	1.1
127.03950	4.1
128.04260	1.3
128.07080	2.0
128.10698	2.6
128.98584	2.8
129.03987	1.2
129.07394	1.6
129.10201	1.0
129.11064	1.6
130.08621	0.6
131.00180	3.3
131.01886	6.1
133.01633	1.3
133.03452	7.4
134.06029	0.7
134.99619	3.5
137.02914	1.9
138.05533	0.8
140.07031	0.7
142.12242	2.3
143.00137	1.1
143.01869	1.7
143.12650	1.5
145.01701	1.3
145.03456	3.9
145.04932	2.2
146.05264	1.1
146.99652	3.2
147.05013	11.5
149.01205	3.5
149.02936	1.5
151.04529	2.0
152.07143	1.1
152.10695	10.6
153.03917	0.9
153.11066	12.1
155.01913	4.0
156.02742	1.5
156.05022	0.6
157.03447	2.6
158.99654	1.6
159.04991	2.2
161.01253	0.8
161.02921	1.6
162.99129	0.7
163.02771	2.1
163.04494	1.2
165.06082	4.8
170.11790	3.6
170.99692	1.2
171.05011	12.9
171.12131	7.1
173.01472	1.0
173.02927	5.6
173.06602	1.7
175.02721	0.7
175.04468	2.0
176.09125	0.8
177.00685	2.7
177.06013	1.3
178.04857	1.7
182.67564	0.6
183.05013	3.1
185.02910	1.0
185.06590	2.4
187.04489	1.1
188.09166	2.0
188.12802	31.0
188.16399	1.4
188.54913	1.3
189.00681	1.4
189.06059	13.9
189.09589	1.2
189.13161	39.7
195.05125	0.7
196.02255	1.3
197.06715	0.6
199.04457	0.9
201.00728	1.0
201.06078	11.4
203.03925	1.9
203.07637	2.3
205.03853	0.8
207.05374	1.4
207.07173	2.3
213.06076	1.8
214.03860	1.1
215.07631	0.9
217.00070	0.7
219.01744	3.4
221.05063	7.0
225.06099	4.3
225.08183	2.4
230.06819	0.9
231.07053	2.2
237.02817	7.7
243.07211	1.6
245.05156	1.5
247.06728	1.0
249.02676	0.8
249.08281	3.4
260.57355	1.1
261.08331	5.4
265.07773	1.1
273.08206	1.8
279.03897	1.4
279.09250	1.5
285.08224	0.9
287.10880	1.9
291.04382	1.2
291.09286	25.0
291.12567	1.3
295.06934	2.1
305.10770	1.1
309.10434	5.9
310.10440	0.6
315.16223	0.8
319.09879	0.8
332.11893	0.9
341.97681	0.6
345.31104	0.7
351.06903	4.1
351.12384	100.0
351.18353	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01860	1.7
55.05498	1.0
56.05017	1.1
56.96558	5.5
57.03418	3.2
61.02920	4.4
63.26077	0.7
67.05502	6.8
67.71293	0.8
69.03423	14.2
69.07050	2.0
70.06563	2.8
70.93786	1.5
70.94119	1.0
71.04971	2.4
73.02901	2.5
73.74635	0.7
74.06052	1.4
79.05470	1.9
80.39700	0.7
81.03407	5.8
81.07026	1.7
82.06570	1.2
82.28570	0.7
83.04921	1.1
84.04484	3.6
84.08118	2.9
85.02900	22.4
86.06029	0.8
87.04456	2.8
90.51312	0.9
91.03951	1.5
91.05460	0.9
93.07008	1.5
94.06552	1.4
95.04958	1.1
96.08110	3.0
97.02296	0.9
97.02884	11.1
97.06516	0.8
98.03256	0.8
98.06017	0.9
98.97571	8.0
99.04433	2.0
102.01008	0.6
107.04918	1.1
107.08579	0.9
108.08105	10.7
109.02862	3.0
109.07607	0.9
109.10143	6.8
110.06040	1.9
110.07164	0.9
110.09640	2.2
110.97579	1.9
112.99110	0.9
114.05481	0.7
114.09151	1.8
116.98636	7.2
119.01915	2.1
122.06010	0.8
122.87932	0.8
124.07583	3.1
124.11234	2.9
125.05988	1.2
127.03906	4.7
128.07056	2.6
128.10728	4.7
128.98598	3.6
130.08630	1.0
130.31786	0.8
131.00197	1.4
131.01871	1.1
134.99654	2.8
140.07082	0.9
142.12280	5.0
143.00108	1.2
143.08098	0.8
145.01736	1.0
145.03458	1.0
145.04944	2.8
146.99649	2.8
147.03163	0.7
147.05011	1.5
149.01213	1.3
152.07040	1.9
152.10690	31.4
153.05417	2.0
155.01791	0.9
158.99623	2.8
161.01205	1.3
164.83485	0.7
165.04276	1.8
170.08134	4.4
170.11752	13.3
171.06516	0.9
173.03017	1.2
175.02756	0.8
177.00681	4.5
178.04980	0.8
188.09210	14.4
188.12805	100.0
189.00751	2.0
189.04370	1.6
189.06082	1.8
189.13089	1.6
201.00609	0.9
201.06129	1.4
203.07631	1.1
207.05342	0.8
211.04799	0.9
219.01773	4.7
237.02762	11.1
242.66994	0.9
255.03853	1.3
291.07520	4.8
309.08496	13.4
314.16122	1.4
332.16916	1.0
350.11163	1.4
350.14713	1.6
350.18103	36.2
350.22443	1.8
351.09305	1.6
351.18558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03247	1.3
51.92831	1.4
55.01865	1.7
55.05507	13.6
56.05025	4.0
56.17583	1.4
56.44182	1.4
58.08232	1.5
58.99588	1.8
60.04521	2.5
62.99062	1.6
65.03929	1.5
67.05503	9.7
69.03409	2.7
69.07058	3.1
70.06591	14.0
70.13894	6.8
70.14305	2.6
72.08144	4.7
73.02921	1.6
79.05483	5.6
81.03407	1.7
81.07053	7.8
82.06575	18.4
83.04985	10.8
84.04490	4.4
84.08134	8.4
85.01133	1.8
85.02915	2.4
85.06523	1.6
86.03314	1.5
86.09692	7.7
86.61246	1.5
87.02682	5.7
91.05467	7.0
92.35927	1.5
93.07038	13.7
95.04961	2.0
95.08594	7.0
97.01093	1.8
98.06022	2.5
99.02686	2.1
100.07612	36.2
101.04237	100.0
104.98314	6.6
107.27126	1.7
111.04440	7.8
116.07072	5.2
120.08104	5.4
121.06508	4.2
123.08030	2.7
125.04220	6.5
127.05762	11.4
128.07066	84.0
129.05452	12.9
144.06541	2.7
146.08105	28.3
147.09180	9.3
148.07547	1.8
158.06075	2.0
159.02954	10.4
159.04089	1.6
163.03831	2.0
173.12860	3.5
174.09265	1.4
177.04025	70.3
178.04320	2.4
187.02449	16.6
204.05096	4.9
205.03519	22.6
207.11299	2.5
221.09196	3.0
235.07727	1.7
268.15414	5.4
272.09033	1.5
280.31708	1.6
314.08771	3.7
314.26950	3.2
332.09753	9.2
332.24261	1.9
350.14127	12.0
350.18521	3.0
350.28665	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05507	6.1
57.07054	3.7
65.78073	1.5
67.05500	8.7
69.07077	12.1
70.46463	6.1
71.04971	1.8
71.08625	2.6
79.05478	5.1
81.07064	13.8
83.08629	3.7
85.06524	2.5
91.05480	5.2
91.06200	1.5
93.07040	6.3
95.08598	8.5
99.08082	2.1
104.08495	1.5
105.07024	4.9
107.08579	6.5
109.06498	10.6
109.10138	4.2
118.92940	1.8
119.08567	5.1
121.10159	5.7
122.00552	1.5
122.07298	1.8
123.08069	56.9
123.08956	3.6
131.08586	1.5
133.10136	4.6
133.26909	1.6
135.08044	5.5
135.11644	2.3
137.09616	3.0
145.10088	3.4
147.11592	2.1
149.09634	1.9
149.13268	2.0
159.11658	2.3
179.14308	40.5
201.56793	1.5
256.01617	1.9
275.19986	4.0
293.21100	14.4
331.26331	4.5
349.27374	100.0
350.27750	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
53.71959	1.0
55.01844	1.4
55.05505	8.8
57.07059	2.4
67.05511	6.9
69.07070	15.6
69.54649	7.3
71.04983	2.3
71.43480	1.0
73.06564	1.0
78.91934	1.0
79.05486	4.0
81.07057	11.5
83.08610	6.4
91.05468	2.8
93.07050	6.7
95.08609	8.0
97.06519	2.1
105.07023	4.5
107.08588	7.8
109.06512	12.1
109.10168	6.6
111.08052	1.7
119.08556	5.1
121.10132	5.5
123.08062	81.6
123.11688	2.7
124.08428	1.0
131.08609	1.5
133.10130	3.9
135.08067	6.0
135.11627	2.7
137.09644	4.6
145.10118	1.7
147.11682	2.6
149.09604	2.2
149.13240	2.7
151.14995	1.0
152.11882	0.9
159.11717	1.8
161.13237	2.2
179.14244	5.0
200.83917	1.0
275.20102	1.3
293.21106	20.0
303.26831	1.3
331.26331	3.3
349.27368	100.0
350.27664	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03939	0.7
55.01874	0.7
55.05512	5.7
57.07064	2.1
67.05512	6.6
69.07066	11.9
69.34802	5.1
71.04983	1.9
71.08633	1.2
72.36617	0.5
73.06562	0.5
79.05477	4.3
81.07049	10.0
83.04960	1.1
83.08624	4.5
85.06540	0.9
91.05466	2.8
93.07054	5.0
95.04948	0.7
95.08607	9.0
97.06534	1.7
97.10132	1.0
99.08095	0.8
105.07027	2.7
107.08587	6.0
109.06516	14.1
109.10162	3.2
111.08083	2.0
119.08577	4.7
121.10136	3.0
122.07276	0.8
123.08062	72.0
123.11710	2.2
124.08372	0.8
125.09663	0.8
131.08487	1.4
133.10124	3.4
135.08037	4.6
135.11687	1.4
137.09612	3.7
137.13239	0.8
139.31728	0.5
145.10117	0.8
147.11703	2.5
149.09590	1.6
149.13260	2.5
155.27348	0.5
157.43878	0.5
159.11656	1.3
161.13254	1.3
163.11212	1.1
165.12738	1.0
167.14331	0.5
173.13315	0.9
177.12755	0.8
179.14316	19.0
180.14680	0.5
180.40417	0.6
233.18944	1.1
275.20050	1.8
277.22147	0.5
289.25381	1.0
293.21103	19.4
303.26999	0.5
307.22833	1.1
331.26263	4.4
347.65250	0.6
349.27356	100.0
350.27579	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
55.01873	5.3
55.05512	11.2
56.03667	1.2
56.96552	2.5
57.03429	7.2
63.28750	1.3
65.03947	1.2
67.05509	23.1
69.03433	1.8
69.07064	11.6
70.12656	3.2
70.13070	3.9
71.05017	1.5
77.00903	1.6
79.05496	26.7
79.05954	1.4
80.02119	1.1
81.03442	1.6
81.07059	26.8
83.04975	2.5
83.08627	5.4
91.05482	30.0
93.07057	19.4
95.04974	5.9
95.08602	17.3
97.06538	6.2
97.10161	2.3
103.05489	1.4
105.07033	32.3
107.04958	3.7
107.08600	15.3
109.06528	4.5
109.10176	6.4
111.08121	1.4
115.05460	1.7
115.12780	1.3
116.17467	1.2
117.07021	14.0
119.08574	22.9
120.78547	1.3
121.06491	2.1
121.10149	8.5
123.08090	2.6
123.11688	1.6
125.09584	1.6
129.07031	4.5
131.08571	17.1
133.10124	16.4
135.08081	2.6
135.11725	4.0
137.09665	2.0
141.07002	2.3
143.08585	5.3
145.10139	25.8
147.11684	12.3
149.09648	6.5
155.08560	2.1
157.10164	4.7
159.11694	17.6
161.13286	4.1
163.11151	2.3
169.10185	2.6
171.11696	3.4
173.13289	6.1
177.12680	1.6
179.14337	1.5
183.11726	2.7
185.13231	2.2
195.09920	3.6
197.13278	2.4
201.09756	1.5
213.09737	1.9
215.11296	1.5
215.17966	1.8
219.17444	2.7
225.09682	2.7
229.19484	3.3
231.10835	3.4
233.12413	1.8
239.17966	4.6
243.10777	3.4
247.20708	2.8
257.12335	1.7
257.19019	13.5
275.20053	19.6
349.19836	100.0
349.23798	25.1
350.20157	8.9
350.23859	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01870	10.2
55.05506	20.1
56.96568	12.6
57.03440	16.7
57.07097	5.6
57.28598	2.5
65.03924	3.4
67.05507	43.8
67.44975	2.3
69.03423	5.5
69.07064	27.7
70.83311	5.6
70.83675	3.9
71.04988	3.8
79.05490	58.1
81.03408	3.2
81.07056	100.0
83.04969	10.5
83.08607	8.7
85.06522	4.4
91.05477	43.3
93.07044	47.5
93.41912	2.5
95.04952	15.0
95.08601	30.1
97.06542	9.4
97.10173	4.6
99.08073	2.9
105.07029	45.7
107.04951	10.6
107.08583	29.0
109.06516	33.5
109.10167	10.4
111.08102	4.8
115.05450	2.8
117.07021	13.6
119.08584	27.5
121.06477	14.8
121.10137	17.1
123.08092	12.0
123.11711	4.9
123.99995	2.9
125.09633	3.2
129.06999	5.7
131.08551	28.4
132.94080	2.4
133.06464	2.7
133.10141	26.9
135.08073	5.8
135.11696	8.0
137.09598	3.5
140.44643	2.3
141.06940	3.2
143.08554	6.3
145.10150	21.0
147.08035	5.6
147.11687	20.0
149.09636	11.4
149.13246	10.8
151.11127	5.9
157.10057	3.8
159.08035	3.1
159.11731	17.0
161.09665	6.3
161.13226	5.8
163.11205	8.0
171.11647	5.8
173.09633	4.6
173.13251	12.1
175.11209	3.8
177.12773	4.5
181.02437	2.9
183.11713	6.8
187.11162	2.6
191.14346	3.4
193.12030	2.4
197.13365	3.3
201.12636	3.0
219.13628	3.0
229.19492	3.5
239.17972	5.6
247.20633	9.3
249.16631	3.1
257.19077	19.0
261.14441	3.0
275.20065	96.9
276.20349	5.8
293.21216	6.1
329.46970	2.9
331.15601	8.3
349.16650	11.5
349.19818	37.5
349.23843	27.0
349.31552	3.5
372.18192	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01873	5.3
55.05508	14.2
57.03435	14.5
67.05496	29.4
67.05824	2.0
69.07075	10.5
69.73729	1.6
69.77818	4.1
69.78248	6.4
73.42897	1.7
76.16621	1.6
79.05490	27.1
79.05898	2.2
79.23290	1.7
81.03426	2.6
81.07059	33.8
83.04981	2.5
83.08640	5.4
85.06516	1.6
91.05480	38.4
93.07040	28.5
93.09450	1.7
93.60844	1.6
95.04984	7.0
95.08605	23.7
96.80508	2.0
97.06538	6.1
97.10194	3.2
98.21481	3.0
99.08134	1.9
105.07030	40.2
107.04994	3.7
107.08596	18.3
109.06503	3.1
109.10175	7.0
111.08121	1.7
115.05403	1.9
117.07007	18.2
119.08578	30.6
121.06531	2.1
121.10126	10.6
125.09647	2.9
128.06262	2.0
129.07034	7.7
130.07822	2.2
131.08571	26.7
131.09390	2.3
133.10132	22.6
135.11740	6.7
143.08556	8.1
145.10117	33.9
147.11684	18.1
149.09686	6.1
149.13210	3.2
151.11160	3.2
155.08598	3.0
157.10115	10.0
159.11691	29.5
161.09494	3.3
161.13252	8.3
163.11249	2.8
169.10187	4.7
171.11740	6.9
173.13216	10.5
178.72076	1.7
183.11758	5.5
185.13316	7.0
187.11229	2.0
187.14832	2.1
189.79523	1.6
197.13222	2.8
201.16393	1.9
203.14333	4.1
211.14972	1.8
219.17555	6.0
229.19629	3.6
239.17928	12.7
239.95197	1.9
247.20659	1.7
257.18994	27.1
258.19336	1.5
263.12723	2.3
275.20050	25.0
305.20609	1.8
331.22549	2.1
337.98947	1.7
349.19870	100.0
349.23828	40.9
350.20193	10.9
350.24030	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64097	2.7
53.03949	22.0
55.01875	27.1
55.05518	36.5
56.96567	79.2
57.03434	18.4
67.05508	88.5
69.07070	63.6
71.05001	7.5
71.95266	8.2
79.05495	88.3
81.03410	27.7
81.07063	83.8
83.04982	15.4
83.08619	10.9
83.65108	3.0
85.06571	3.9
88.64359	3.4
91.05486	81.4
92.20232	2.8
93.07045	76.6
94.07373	3.4
95.01339	22.3
95.04963	28.4
95.08611	57.4
95.09168	4.5
97.06541	32.2
97.10175	8.8
98.21292	14.8
100.56595	2.8
101.00355	2.7
105.07035	100.0
105.47041	2.8
107.04955	50.0
107.05624	4.1
107.08607	39.2
109.06512	6.0
109.10178	20.9
111.08150	5.9
115.05434	5.0
117.07037	25.6
119.08585	53.3
121.06523	8.7
121.10140	16.9
123.04431	6.9
123.08090	7.4
123.11749	4.1
125.09610	5.9
128.98647	9.3
129.06985	7.3
131.08574	31.0
133.01790	3.7
133.10129	62.0
135.08083	7.3
135.11707	13.5
137.02698	3.1
137.09647	7.6
141.06995	4.7
143.08539	6.4
145.06447	5.2
145.10120	27.7
146.99631	9.5
147.11670	32.9
149.09645	18.9
149.13249	7.4
151.11263	3.8
155.03828	6.1
159.11688	20.3
161.13275	14.8
163.11172	6.4
165.09109	3.4
169.10126	9.1
169.95111	2.9
171.11652	3.9
173.04929	6.2
173.13266	9.1
177.12778	10.6
179.14334	25.5
183.11723	4.7
185.04912	3.9
187.06464	3.8
187.11197	6.7
189.04295	3.6
195.06949	5.0
199.06482	10.8
201.08044	5.4
203.05923	7.7
211.06448	8.3
213.07962	27.1
217.07484	17.6
219.08987	3.8
225.08109	4.9
227.09694	4.2
229.07513	41.9
231.09009	52.0
243.09076	21.9
247.08560	35.5
247.20547	5.7
252.09105	4.7
254.10815	5.7
255.09047	3.1
257.19022	7.6
261.10135	25.4
270.10428	3.8
275.20041	52.9
276.20557	4.3
331.15826	32.1
349.16904	75.0
349.23489	24.6
350.17050	5.6
367.18008	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58403	4.1
53.03939	7.8
55.01854	13.8
55.05508	39.9
57.03437	44.9
64.93060	3.9
67.05499	63.2
69.07072	27.5
71.02589	3.4
71.02959	9.3
71.04971	6.0
79.05487	84.0
81.07050	95.3
83.04977	8.1
83.08615	14.3
85.06532	10.6
85.12697	4.2
91.04900	5.5
91.05475	97.7
93.07038	63.9
95.04948	12.7
95.08596	42.0
97.06518	10.2
97.10132	7.1
99.08102	5.9
105.07025	100.0
107.04928	12.4
107.08572	58.6
109.06490	18.6
109.10143	20.7
117.06987	42.0
119.08566	75.7
121.06528	5.3
121.10150	27.3
123.08057	6.1
125.09634	5.7
128.06200	4.4
129.06998	13.7
129.18483	4.0
130.07791	6.5
131.08553	50.1
133.10130	60.4
135.08083	5.0
135.11671	11.0
141.06984	6.5
142.07793	4.3
143.08536	22.2
145.10103	83.2
147.11664	52.0
149.09575	18.2
149.13216	7.0
151.11128	6.6
155.08556	5.7
157.10153	24.7
159.11702	52.1
161.09595	5.8
161.13235	16.7
163.11145	8.5
169.10059	8.6
171.11693	12.4
173.13226	25.1
175.11137	7.5
175.14841	10.4
183.11732	13.6
185.13206	19.1
189.94447	4.2
197.13240	8.6
203.14302	10.3
213.51559	4.8
215.17976	4.4
219.17413	20.5
229.19514	6.4
239.17891	17.7
257.18991	46.5
275.20047	63.4
283.42029	4.4
285.82123	3.9
331.22867	4.1
349.19855	10.2
349.23691	85.9
350.23978	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01867	7.6
55.05513	18.2
56.96566	26.7
57.03434	17.8
57.07077	2.5
67.05503	36.1
67.05847	1.4
69.03426	3.4
69.07066	24.1
70.83664	3.0
70.84010	1.9
71.04993	3.0
71.95256	2.7
74.89993	1.4
79.05493	35.6
81.03412	2.4
81.07057	43.6
83.04984	9.6
83.08628	6.6
85.06530	1.8
91.05485	29.7
91.06028	3.0
93.07040	42.7
93.07634	2.3
95.04955	11.7
95.08611	27.5
97.06526	5.1
97.10168	4.2
105.07029	35.0
107.04957	12.8
107.08606	22.4
109.06522	16.8
109.10136	13.7
110.97548	2.2
111.08090	3.8
117.07014	12.3
119.08569	20.6
121.06499	15.1
121.10149	12.7
123.08071	10.3
123.11728	5.8
128.98604	5.4
129.07005	4.7
131.08571	23.6
133.06485	3.5
133.10124	24.6
135.08064	8.4
135.11673	10.2
137.09642	5.1
141.07039	1.8
143.08563	3.0
145.06491	2.5
145.10123	17.4
146.99638	4.5
147.08095	4.6
147.11690	15.9
148.00409	1.8
149.09618	8.8
149.13284	4.0
151.11206	6.0
153.53789	1.7
155.08577	2.6
157.10158	4.4
159.08063	2.6
159.11691	11.7
161.09592	4.9
161.13269	5.5
163.11154	7.6
169.10173	1.9
171.03308	2.6
171.11742	4.6
173.09573	3.8
173.13193	9.4
175.11226	2.7
177.12769	3.7
179.14244	2.7
183.11723	2.6
185.04800	2.1
185.13292	2.3
187.11197	3.0
189.04324	3.5
191.14314	4.0
197.13420	2.6
199.06407	4.4
201.12752	2.5
203.05917	3.7
207.13748	3.2
211.06458	2.9
213.07921	3.6
215.17995	2.0
217.07481	8.8
219.13860	5.3
229.07516	8.4
229.19565	3.9
231.09111	5.0
233.15623	1.7
239.09593	3.0
239.17978	4.6
243.08864	2.0
247.08511	7.2
247.20561	6.0
255.09102	6.1
257.07016	1.8
257.18973	18.2
258.07700	3.1
267.09113	3.7
269.10483	8.8
273.10123	2.3
275.20068	100.0
276.20468	5.3
281.09912	1.6
285.10046	8.5
287.11786	3.0
291.12695	2.8
293.21146	7.0
331.15790	7.1
349.16782	15.4
349.23624	26.1
349.27448	3.3
367.13876	1.9
367.17743	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.5
55.01884	11.8
55.05509	52.1
56.96545	2.1
57.03430	16.4
57.07066	3.7
63.25098	2.1
64.20152	2.5
65.70947	1.8
67.05500	53.7
69.03426	3.5
69.07066	16.4
69.29626	21.7
71.04981	6.0
79.05487	100.0
81.03416	4.4
81.07053	43.9
83.04980	25.7
83.08607	14.3
85.06555	4.2
91.05472	48.9
93.06483	3.1
93.07043	60.6
95.04959	16.1
95.08601	27.0
97.06516	8.2
97.10170	12.7
99.10418	2.2
105.07016	41.3
107.04951	25.7
107.08594	58.6
109.06497	7.7
109.10163	23.1
111.08050	5.1
117.07021	16.1
119.08569	28.6
121.06490	4.2
121.10130	23.6
123.08070	10.0
123.11679	4.8
125.09643	14.4
129.06964	4.1
131.08580	13.9
133.10130	25.4
135.08063	8.4
135.11687	8.1
141.06938	2.4
143.08475	2.6
145.10162	15.9
147.11690	16.3
149.09621	49.2
149.13203	3.9
153.09187	2.7
153.98384	2.2
157.10144	3.4
159.11635	9.8
161.13242	7.5
163.11148	4.8
163.14862	2.7
169.10101	3.4
169.12193	2.3
171.11737	6.3
173.11752	4.0
173.13232	6.8
179.14281	6.7
183.11745	2.7
189.11215	6.4
197.13210	2.5
209.15327	2.8
229.19397	5.6
233.15411	2.0
239.17967	3.9
247.20547	3.2
257.19031	4.4
275.20026	33.3
278.08517	2.2
349.23676	19.6
349.27478	7.5
349.33926	2.6
350.23538	4.1
367.17807	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64666	1.0
53.03944	1.8
55.01855	2.8
55.05511	7.2
56.96554	2.4
57.03433	5.8
65.03913	1.3
67.05502	15.5
69.03409	2.0
69.07075	8.0
70.06535	4.1
71.05001	1.1
79.05487	19.8
81.03419	1.4
81.07052	23.6
83.04958	2.9
83.08611	3.6
85.02895	1.8
85.06551	1.6
91.05475	13.1
93.07043	15.5
95.04961	3.6
95.08615	10.6
97.06512	3.9
97.10175	2.3
98.21499	1.2
103.05463	0.9
105.07028	18.5
107.04963	3.5
107.08591	13.7
109.06493	5.2
109.10174	5.5
111.08083	2.2
113.06033	0.9
115.05444	1.1
117.07008	6.1
119.08581	11.4
121.06518	2.1
121.10119	4.9
123.08057	3.3
123.11753	1.9
125.09599	1.4
129.07034	2.0
131.08569	7.5
133.10121	9.6
135.08041	2.0
135.11671	3.8
135.12599	0.9
137.09607	1.4
141.06958	1.1
143.08554	2.8
145.10098	11.5
147.11684	8.4
149.09613	4.8
149.13268	1.9
155.08485	1.8
157.10130	2.7
159.11710	7.7
161.09598	1.7
161.13246	2.1
163.11205	2.3
169.10091	1.9
171.11667	2.4
173.13268	3.8
177.12666	1.6
178.90521	1.0
183.11742	1.9
185.13225	1.9
187.14850	1.1
189.12784	1.0
193.12134	0.9
197.13179	1.8
219.17435	1.3
229.19496	1.9
232.29959	1.0
239.17961	3.3
247.20380	1.0
257.18961	7.4
263.12527	4.3
267.09189	0.9
275.20084	12.0
276.20529	0.9
276.82956	1.0
281.12250	1.1
293.87341	0.9
331.18460	1.3
331.22662	1.2
349.19852	100.0
349.23712	11.6
350.20157	6.1
350.23669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	17.4
53.04160	3.7
55.01859	14.8
55.05510	31.3
57.03197	3.8
57.03440	39.6
57.07035	3.3
58.36414	3.4
64.46185	3.3
65.03889	4.9
67.05505	83.6
69.03411	3.6
69.07066	56.4
70.91737	6.9
70.92078	6.9
71.04987	3.0
71.57671	3.3
73.02889	5.6
79.05493	66.6
81.03426	24.1
81.07053	100.0
83.04971	12.4
83.08598	11.5
85.06530	12.0
90.04772	3.3
91.05478	97.4
93.07043	74.5
95.01318	17.3
95.04953	30.7
95.08603	67.2
97.06533	26.0
97.10098	4.1
99.04442	5.3
99.08038	3.7
99.76922	3.1
105.07026	95.4
107.04949	33.2
107.08586	38.4
109.06519	18.7
109.10162	11.0
111.08060	6.3
115.05415	6.7
117.07009	30.6
119.08581	54.1
121.06535	7.0
121.10117	16.7
123.08051	13.8
123.11683	3.3
129.06966	6.2
131.08574	43.7
133.03435	4.9
133.10115	54.8
135.08008	11.4
135.11711	17.2
137.09647	4.9
143.08530	5.1
145.10094	28.5
147.11690	21.3
149.09601	15.1
149.13213	11.6
157.10149	7.0
159.11707	22.4
161.13260	14.3
163.11185	7.8
165.09114	3.6
169.10190	3.9
171.11682	4.5
173.13232	10.1
175.04437	3.7
177.12747	7.9
179.13181	3.3
179.14359	35.3
183.11664	5.8
185.13266	6.5
197.13222	3.9
205.12259	5.4
219.15439	6.1
219.17445	69.9
229.19629	4.0
242.98338	3.3
247.08145	3.4
247.20340	4.3
257.18982	7.0
275.20035	52.5
293.02359	4.0
301.20245	8.0
339.17160	3.6
349.23718	28.4
349.27335	11.5
349.34045	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.1
55.01876	17.1
55.05509	48.5
56.96561	3.9
57.03444	18.7
57.07066	2.6
65.03955	3.7
67.05505	67.3
67.25000	2.6
69.03431	3.2
69.07074	37.0
69.99436	4.6
69.99775	12.8
71.05002	6.0
75.69728	2.5
79.05496	100.0
81.03426	16.9
81.07058	64.0
83.04980	23.6
83.08609	14.4
85.06528	4.4
90.37331	2.8
91.05484	55.2
93.07047	67.1
95.01322	8.8
95.04965	18.1
95.08609	42.3
97.06544	15.6
97.10163	14.5
103.05473	4.2
105.07030	62.5
107.04955	32.6
107.08596	52.6
109.06525	8.1
109.10154	17.7
111.08096	4.2
117.07021	24.2
119.08589	36.5
121.06550	7.4
121.10135	25.6
123.08078	9.2
123.11723	4.7
125.09638	11.0
131.08604	23.7
133.03468	5.7
133.10115	31.8
135.08086	6.8
135.11705	10.3
137.09669	5.4
143.01932	2.6
143.08597	4.5
145.10081	13.1
147.11729	18.4
149.09616	34.6
149.13269	6.6
151.11148	2.6
155.08513	3.6
159.11679	15.5
161.13298	8.2
163.11227	7.8
163.14813	4.0
171.11781	6.4
173.11790	3.3
173.13257	9.1
177.12717	6.0
179.14378	17.1
187.11198	7.9
187.14812	3.7
189.11287	5.0
197.13260	3.4
211.02469	3.2
213.91100	3.3
223.13353	3.4
224.50201	3.5
229.19751	3.2
231.30345	2.8
247.20601	3.4
257.18982	9.1
275.20056	39.3
291.19635	4.1
295.09012	3.4
301.20316	3.2
349.13321	5.0
349.23752	22.6
349.27472	4.8
350.23395	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	20.9
55.01868	19.3
55.05511	22.8
57.03439	21.4
57.34727	2.4
59.21772	2.3
65.03935	4.4
67.05502	75.6
69.03429	3.6
69.07065	68.8
70.10796	14.7
71.04968	3.4
78.67601	2.3
79.05492	61.3
81.03416	31.0
81.06582	5.8
81.07056	100.0
83.04970	12.9
83.08617	11.6
85.06538	4.2
91.05476	82.1
93.07037	58.6
95.01329	30.4
95.04962	27.0
95.08600	54.5
97.06519	29.0
97.10141	4.5
99.08067	6.1
105.07029	98.3
107.04953	46.9
107.08584	29.2
109.06523	9.3
109.10156	13.2
110.30927	2.5
111.08066	6.7
115.05447	4.9
117.07005	28.9
119.08578	53.3
119.35152	2.7
121.06525	8.4
121.10142	16.8
123.04376	6.6
123.08064	11.9
123.11735	5.2
125.09583	3.5
128.06172	3.5
129.07013	4.1
131.08569	32.1
133.10127	63.0
135.08067	4.0
135.11690	15.2
137.09610	4.7
139.07590	3.4
141.07016	5.8
143.08557	8.3
145.06503	4.5
145.10107	27.6
147.08136	3.4
147.11664	23.1
149.09613	10.2
149.13248	10.6
151.11163	6.1
157.10074	3.4
159.11687	28.5
161.13283	10.6
163.11189	8.8
165.09132	5.5
169.10109	5.2
171.11627	5.0
173.13290	8.2
177.12750	8.6
179.14304	31.2
183.11705	5.0
187.11220	8.9
197.13246	5.9
199.89943	2.9
205.12270	5.1
215.18095	3.4
229.19403	4.1
243.24669	3.6
257.19006	11.6
275.20096	55.6
275.23077	2.8
276.20383	5.1
343.75360	3.2
349.20166	4.3
349.23810	24.3
350.24133	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64215	1.8
53.03944	7.1
55.01860	8.2
55.05515	26.3
56.96335	2.0
56.96568	23.2
57.03439	47.1
57.07075	2.5
58.20543	1.9
59.85778	1.9
60.56287	1.8
65.03934	7.4
67.05507	61.2
69.03416	2.6
69.07074	29.7
70.23280	3.2
70.23699	6.6
71.04990	3.3
73.06537	2.2
79.05496	69.1
81.03432	9.9
81.07062	72.0
83.04965	8.1
83.08633	10.0
85.06532	12.3
91.05483	79.7
93.07050	65.3
94.07378	2.5
95.01318	3.8
95.04959	16.1
95.08611	54.4
97.06529	10.3
97.10163	6.6
99.04444	7.9
99.08067	3.2
103.05491	3.3
105.04488	3.4
105.07034	63.3
106.07370	2.5
107.04961	16.2
107.08600	35.7
107.41783	2.0
109.06509	20.1
109.10149	16.2
111.08083	6.0
112.55020	2.1
116.98508	1.9
117.07021	26.9
119.08582	48.4
121.06503	6.1
121.10131	20.0
123.01139	2.2
123.08046	10.3
123.11726	5.7
125.09688	3.5
128.06221	3.0
128.98596	4.4
129.07004	7.6
131.08566	37.3
133.10138	37.4
135.08026	10.7
135.11696	11.2
137.09627	9.5
141.02249	2.4
141.07080	2.4
143.08537	6.3
145.06427	3.0
145.10129	29.2
146.99644	5.9
147.08044	3.0
147.11696	20.6
149.09607	8.3
149.13327	4.1
151.11258	3.7
153.12766	3.2
157.10127	6.2
159.11676	17.2
160.12158	2.0
161.09628	3.5
161.13266	9.2
163.11186	4.3
163.14810	2.2
169.10143	4.7
171.11674	4.1
173.04945	3.2
173.13272	9.8
174.98886	2.4
175.14771	4.2
177.12743	3.3
179.14267	4.5
179.76033	1.8
183.11702	4.1
185.13257	4.5
187.11194	2.1
189.04288	4.8
197.13126	2.4
199.02663	2.4
201.04298	2.1
201.16370	6.9
203.05954	3.2
203.14224	3.4
213.16458	2.2
217.07379	2.7
219.17448	100.0
220.17822	4.2
225.04375	2.5
229.07442	3.2
229.19347	2.7
239.18010	3.5
243.09082	6.6
247.08591	2.3
247.20708	3.5
255.08990	6.5
257.18991	9.7
261.10001	4.3
269.10687	2.6
273.10211	3.2
275.20065	32.9
331.15741	34.3
349.16858	47.6
349.23599	33.2
367.18002	12.2
372.18466	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.6
55.01866	11.7
55.05513	29.2
57.03438	59.1
57.07058	5.7
61.02913	5.0
65.10476	3.3
66.92119	3.6
67.05505	76.6
69.03423	7.6
69.07063	61.0
70.09576	18.6
71.05002	3.9
79.05483	64.0
81.03413	23.6
81.07050	87.6
83.04954	10.2
83.08620	13.4
85.06534	8.4
89.64306	3.7
91.03975	4.0
91.05480	90.6
93.07041	80.7
95.01315	17.8
95.04965	27.1
95.08604	60.5
97.06521	20.6
97.10143	6.0
99.04452	12.6
103.87800	3.4
105.07028	88.0
107.04969	24.6
107.08591	32.3
109.06510	27.5
109.10165	17.1
117.06998	32.1
119.08575	64.2
121.06474	7.3
121.10123	20.7
123.04456	3.8
123.08031	18.6
125.09660	3.9
129.06998	8.0
131.08549	39.4
133.03438	4.8
133.10112	43.0
135.08025	7.2
135.11673	16.5
137.09627	6.1
143.08554	8.3
145.10117	35.1
147.11667	17.8
149.09601	10.8
149.13258	9.8
151.11292	4.0
153.12782	5.8
155.08493	5.8
157.10156	5.1
159.11694	17.4
161.13216	7.6
163.11150	7.9
171.11774	4.5
173.13284	9.2
179.14322	32.4
183.11739	7.4
185.13341	6.6
187.11096	5.3
191.14371	4.2
201.06050	4.5
201.16399	10.6
203.14334	4.8
206.29601	3.8
219.17429	100.0
220.17711	5.6
257.18991	4.4
275.20047	41.7
301.19986	6.7
310.99677	3.8
335.17279	3.7
349.23715	29.2
349.27484	12.0
349.33923	4.8
350.23773	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44597	1.2
55.05499	5.0
57.07066	4.7
67.05492	7.8
69.07055	8.9
69.40063	1.2
69.40407	14.2
69.71581	1.3
71.04978	1.8
71.08650	2.3
79.05476	6.2
81.07037	12.4
83.04985	1.4
83.08594	4.9
85.06535	2.8
90.95065	1.3
91.05468	6.1
93.07052	6.9
95.04964	1.7
95.08610	8.7
97.06562	2.3
97.10173	2.1
99.08089	1.6
105.07034	4.9
107.08591	5.0
109.06509	20.1
109.10146	4.6
111.08086	2.2
119.08559	3.9
121.10122	2.9
122.07276	2.3
123.08055	41.2
123.11671	2.3
131.08636	1.8
133.10114	3.9
135.08054	4.1
135.11711	1.6
137.09604	2.3
145.10121	2.5
147.11696	3.2
149.09612	1.6
159.11668	1.8
165.12726	1.6
173.13174	1.9
179.14296	95.8
193.15802	3.1
210.31731	1.4
275.20148	3.0
276.11914	1.5
293.21030	5.9
315.49646	1.5
331.26251	3.8
349.23410	100.0
349.27390	85.5
350.23792	6.6
350.27512	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01862	2.8
55.05511	7.5
56.96561	2.4
57.03431	5.6
57.07069	1.1
67.05507	9.5
69.03445	2.3
69.07065	8.3
71.57835	1.1
79.05492	16.0
81.03421	1.5
81.07053	23.8
83.04979	2.8
83.08617	2.9
85.06551	1.3
91.05484	14.0
93.07033	13.8
95.04952	4.0
95.08606	9.4
97.02892	0.9
97.06535	3.9
97.10176	2.4
105.06390	1.5
105.07035	16.7
107.04955	2.8
107.08598	12.3
107.80044	0.9
109.06522	5.2
109.10162	6.1
117.07031	6.0
119.08578	10.6
121.06501	1.7
121.10165	6.9
123.08068	2.7
123.11684	2.3
125.09642	0.9
128.06227	1.0
129.07010	1.7
130.07782	1.1
131.08562	8.4
133.10129	9.4
135.08047	1.5
135.11720	3.4
141.17732	1.0
143.08551	2.4
145.06438	1.3
145.10103	10.6
147.11687	7.1
149.09642	3.3
149.13327	1.4
151.11182	2.2
153.09099	0.9
155.08549	1.7
157.10112	2.6
159.11676	8.2
161.09613	1.5
161.13274	3.2
163.11179	2.3
165.09128	1.2
169.10086	1.5
171.11714	2.9
173.13277	3.2
177.12697	1.4
182.90720	0.9
183.11697	1.9
185.13242	1.7
187.11203	1.2
187.14781	1.1
189.11298	1.1
197.13358	1.6
203.14279	1.0
212.02655	1.2
219.17448	1.5
239.17975	2.6
248.33073	0.9
257.18887	7.0
263.12616	5.1
267.09073	1.3
275.20029	10.7
281.12384	1.1
331.18991	1.2
349.19873	100.0
349.23804	12.8
350.20169	3.5
363.58636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41183	1.2
55.05515	1.7
56.96567	19.6
57.03445	1.4
57.93556	1.3
67.05507	3.3
69.07082	1.4
71.19038	1.5
71.19373	2.3
71.95286	1.3
74.39604	1.1
78.66221	1.1
79.05499	7.5
81.07050	6.3
84.96030	1.6
91.05501	4.0
93.07065	4.6
95.04990	1.5
95.08628	1.9
105.07062	3.7
106.33047	1.2
107.08578	2.9
109.06534	1.9
116.98524	5.3
117.07059	2.3
119.08611	3.4
121.10198	1.1
128.98634	4.0
131.00078	3.9
131.08612	2.4
133.01758	1.2
133.10167	1.5
134.99615	1.4
137.05811	4.8
140.98457	7.8
143.00079	1.8
145.10126	1.8
146.99690	3.8
147.11682	1.3
149.01103	1.2
153.02180	1.2
153.99283	5.0
154.99998	6.4
157.01620	1.6
159.11824	1.4
167.00049	3.0
169.01723	4.7
171.03360	2.3
173.01071	1.4
173.04898	1.7
174.99060	4.9
177.02188	3.7
179.03680	1.5
181.01599	1.5
183.03397	1.6
185.01102	1.6
187.02837	1.9
189.00639	4.6
195.03336	1.6
197.04849	2.5
199.02754	1.4
201.04338	1.5
203.05983	1.8
209.01108	1.4
217.07489	2.4
235.13219	1.8
243.09097	2.4
257.19153	2.1
261.10141	2.0
275.20123	1.7
277.11041	5.5
295.12183	2.1
312.05994	1.3
313.14963	2.3
331.15704	16.9
349.13193	12.0
349.16788	13.4
349.20114	100.0
350.13443	1.4
350.20450	4.0
367.18076	2.8
372.18774	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01873	13.3
55.05508	29.7
56.08596	1.5
57.03430	15.2
57.07063	2.5
58.58857	1.5
65.03912	2.0
67.05499	48.8
69.03405	1.8
69.06721	2.4
69.07062	26.9
69.84832	10.2
71.04984	2.9
79.05486	57.2
81.03383	2.5
81.07050	42.0
83.04977	8.0
83.08613	12.7
91.05473	47.3
93.06471	2.9
93.07038	42.6
95.04972	10.5
95.08598	28.7
97.06525	14.4
97.10178	7.3
105.07021	54.8
107.04953	17.8
107.08591	55.1
109.06510	8.9
109.10149	13.6
111.08078	3.3
117.07003	16.9
119.08576	28.0
120.45267	1.7
121.06505	5.1
121.10136	13.0
123.08051	5.0
123.11652	1.7
125.09618	7.1
129.07004	4.8
130.07796	1.4
131.08553	22.8
133.06511	1.9
133.10121	32.6
135.08032	6.4
135.11678	9.5
137.09647	3.0
143.08566	6.7
145.10107	42.8
147.11678	21.3
149.09599	16.0
149.13301	5.0
151.11211	2.5
155.08607	2.7
157.10136	5.8
159.08144	1.7
159.11674	15.4
161.09680	2.7
161.13277	5.2
163.11169	9.5
169.10089	5.1
171.11674	6.4
173.11771	1.9
173.13248	8.4
175.11121	2.0
177.12801	2.4
179.14243	4.3
183.11742	4.6
185.13290	2.1
187.11218	2.7
187.14821	2.4
189.11234	6.0
196.66165	1.8
197.13196	4.1
211.14748	1.7
229.19427	4.7
239.17865	8.2
247.20598	4.3
257.19025	26.4
261.14835	1.6
275.20044	48.2
293.21201	2.0
331.22748	2.2
349.19785	100.0
349.23755	35.1
350.20209	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.3
71.57182	1.4
80.42764	0.8
85.02888	2.1
86.09712	0.9
90.96486	0.7
97.02887	1.4
109.10154	1.0
127.08707	1.0
131.04915	0.9
132.95830	1.6
147.04424	0.9
152.10689	1.0
164.71451	1.1
169.12221	0.9
174.96965	1.2
176.88844	0.9
187.09415	6.7
205.09233	1.3
225.32199	1.0
237.02835	1.4
266.15030	1.0
289.11099	0.9
330.98108	0.8
331.04477	1.0
349.09488	3.2
349.14627	100.0
350.15073	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15211	4.1
55.05505	6.2
56.96564	100.0
58.31635	5.6
67.05489	7.7
69.07076	9.4
69.32711	10.6
69.33126	34.3
71.86945	4.1
71.95260	9.4
79.05475	9.5
81.07026	9.9
89.59979	3.9
91.05486	7.8
93.07053	10.4
95.04956	6.5
95.08606	8.2
98.21533	9.2
98.88155	4.3
105.07047	7.9
107.08572	9.7
107.91528	3.8
110.97595	6.4
119.08601	6.3
128.98569	13.2
133.10164	6.6
137.02844	4.9
146.99678	6.4
147.11786	4.6
148.98372	4.1
155.03787	9.1
173.04883	7.3
181.05318	6.2
185.04909	4.3
187.06494	6.3
190.66487	4.8
199.06464	17.3
201.08060	8.8
203.05948	6.6
211.06493	9.4
213.08000	47.0
217.07434	29.6
219.09128	6.5
229.07442	91.4
231.09035	72.8
243.09087	36.9
247.08534	87.4
252.09108	7.5
254.10513	5.1
257.18970	6.4
261.10214	24.6
275.20093	19.3
331.15762	17.0
349.16837	76.4
350.17371	5.1
367.18069	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03942	1.4
55.01884	1.5
55.05514	3.8
56.05034	3.6
57.03436	1.8
57.07071	0.8
60.04527	100.0
65.03944	0.7
65.14956	0.6
67.05506	13.4
68.28579	0.6
69.03432	0.9
69.07063	4.2
69.98227	2.8
69.98637	1.4
70.06590	1.9
71.04970	0.9
72.04511	2.7
74.06083	2.2
78.12045	0.7
79.05495	11.0
81.03401	1.4
81.07055	12.0
82.06581	2.2
83.04971	1.1
83.08641	1.4
84.04498	3.4
84.08134	0.9
85.02923	1.1
85.06534	1.3
86.06064	1.1
90.05567	1.6
91.05479	8.2
93.07041	9.7
94.06581	2.5
94.07383	0.7
95.04961	2.7
95.08607	10.9
96.08133	1.5
97.06512	1.7
105.07036	5.6
107.04964	1.3
107.08588	6.0
108.08115	1.2
109.06501	1.3
109.10153	4.8
110.06021	0.7
111.08092	1.2
112.07609	0.8
117.07040	2.3
119.08576	3.7
120.08127	1.5
121.06538	0.8
121.10129	4.1
123.04456	0.8
123.11716	1.2
128.07083	1.1
129.06984	1.1
131.08582	2.5
133.10167	3.3
135.08112	0.7
135.11748	3.6
136.07552	1.2
140.83727	0.8
143.08542	1.0
145.10135	2.0
147.11705	2.6
149.09654	0.9
149.13191	1.0
157.10115	1.3
159.11682	1.8
161.13264	1.9
167.33711	0.8
171.11700	1.0
173.13156	0.8
179.03319	1.5
182.15538	0.9
185.13263	0.9
187.14757	0.8
188.18199	0.7
235.09543	0.9
258.22299	0.9
259.42465	0.7
264.23383	0.9
271.09625	2.0
276.23163	3.9
276.72971	0.8
294.24182	6.0
301.10919	1.1
312.25314	11.3
317.67685	0.7
320.98187	0.7
330.26382	27.8
331.26694	1.2
348.27432	45.1
349.13144	1.2
349.17303	0.8
349.27661	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01868	2.0
55.05498	1.6
56.96568	5.3
57.03432	5.5
60.04525	2.2
61.02910	4.4
63.10604	1.0
67.05505	1.8
67.81889	1.1
69.03430	12.4
70.06585	2.5
71.04967	2.0
71.57188	1.6
73.02913	1.7
74.06074	3.8
76.94655	1.2
79.05488	1.4
81.03413	6.2
81.07052	1.7
82.06577	1.3
84.04500	6.3
84.08139	2.0
85.02905	34.6
85.08465	1.4
86.09704	9.8
87.04462	3.0
89.03898	1.6
91.05467	1.5
95.04951	3.2
95.08635	1.5
97.02890	12.8
97.06577	1.2
98.35454	1.4
98.97569	8.6
99.04446	1.8
102.05507	1.4
106.05026	1.8
107.04913	2.0
109.02876	3.5
116.98618	8.1
117.03323	1.7
119.04964	1.1
122.06031	1.2
123.04427	100.0
124.04696	1.3
124.11207	2.1
126.05508	3.6
127.03909	4.8
128.98624	1.6
129.06592	1.3
129.10263	1.3
131.04980	1.2
132.10187	1.3
134.99637	4.5
135.04387	2.9
136.06184	35.0
137.05963	4.2
138.05460	1.4
143.01929	1.4
144.02034	1.5
144.06572	5.2
145.04973	4.4
146.99681	3.1
147.04405	3.0
150.09119	1.2
151.03893	25.2
158.99654	2.3
161.01189	1.8
161.02951	2.0
162.03091	1.7
163.02779	1.7
163.03906	9.9
164.04196	1.2
167.07022	2.1
168.10146	2.4
169.04971	42.5
170.05199	1.9
172.63705	1.2
176.08150	8.3
177.00717	3.6
180.08723	1.7
186.06418	1.9
186.09372	1.2
186.11179	2.6
188.08179	12.2
189.08698	4.4
191.03712	1.3
195.01831	1.2
203.09273	3.4
214.06165	9.7
217.05511	2.1
217.08162	2.4
219.01727	4.2
223.05562	1.7
232.05592	1.3
235.09143	1.6
237.02831	7.2
255.03871	1.7
258.07605	2.5
259.08176	3.5
277.09430	1.8
303.11005	9.8
309.08667	1.4
348.06784	1.7
348.12985	28.0
348.16797	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.96557	1.6
57.07060	2.5
59.84270	0.8
70.83678	1.2
70.84045	2.6
71.08620	2.0
81.07050	0.9
85.02940	1.1
89.66236	0.9
95.08605	2.0
97.02901	0.8
113.00025	1.0
116.22202	0.8
131.00194	1.0
135.08041	2.6
149.01221	3.6
156.03648	1.4
157.04120	0.9
167.02278	1.3
202.44983	0.9
266.14594	1.6
275.15164	0.9
287.61050	0.9
299.31125	1.0
347.17648	3.7
347.21912	100.0
347.33475	2.6
348.22223	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1056
Annotation	(-)-Woodinine
Peak:m/z	Relative Intensity
51.30697	6.8
64.95442	6.5
71.29008	15.0
80.93641	5.6
88.47342	5.7
96.47420	6.2
112.89607	16.0
114.89304	16.3
125.67215	6.6
155.86583	7.3
174.90215	6.5
212.85229	22.8
348.10434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63121	0.8
55.01863	1.5
55.05500	1.1
56.05015	1.7
56.96560	5.3
57.03432	2.4
58.06598	1.2
60.04512	3.2
61.02911	4.2
65.03938	1.7
67.05500	2.9
69.03432	10.3
70.06577	2.4
71.04980	1.4
71.32398	2.3
73.02914	3.1
73.16487	0.9
74.06078	1.4
79.05486	2.0
81.03421	4.8
81.07060	1.0
84.04511	4.5
84.08144	1.3
84.96065	1.3
85.02902	32.7
86.09705	7.7
87.04430	2.4
88.03972	1.7
89.03922	2.0
91.03944	1.5
95.04942	5.7
97.02895	11.4
98.97584	8.8
98.98170	1.1
98.98459	1.4
99.04446	2.7
100.07607	1.9
101.07117	0.9
102.05520	1.0
104.18304	1.1
107.04956	2.3
109.02904	2.6
110.07154	1.3
111.04434	1.5
116.98618	6.5
117.03386	1.1
123.04425	100.0
124.04766	1.6
124.11247	3.6
126.05512	3.3
127.03935	6.2
128.98590	1.7
132.10266	1.1
134.99658	2.9
135.04446	2.1
136.06183	30.3
137.05975	2.3
138.05501	1.3
138.42674	0.9
144.06548	4.2
145.01733	1.3
145.04956	5.8
146.99646	2.3
147.04416	2.6
150.05515	2.3
151.03899	26.6
158.99628	1.6
161.01242	1.9
161.02972	1.5
162.03050	1.3
163.02708	1.6
163.03893	9.5
166.04956	1.1
166.12395	1.3
167.07080	1.9
168.06584	1.5
168.10201	1.6
168.84967	1.0
169.04967	46.6
171.52544	1.1
176.08194	12.5
177.00699	3.3
177.05692	1.9
180.08649	3.4
184.13426	1.3
186.06471	2.7
186.07857	1.5
186.11317	2.4
188.08195	15.7
189.08665	4.8
191.03665	1.1
197.12781	1.3
203.09244	5.9
208.05127	1.1
214.06096	10.9
215.13933	1.7
217.08182	1.7
219.01743	1.7
231.08768	1.5
237.02762	6.6
258.07455	2.6
259.08337	3.2
266.59177	1.1
277.09650	1.0
303.10867	15.9
320.95554	0.9
340.11008	1.3
348.13049	27.4
348.17023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.44915	0.7
52.98185	0.8
55.72388	0.8
56.96561	3.2
57.07071	2.0
61.36948	0.7
67.05503	1.6
70.06596	1.7
70.48911	2.5
79.05476	1.6
81.07047	1.6
85.46515	0.7
88.07616	1.8
91.05474	1.6
93.07029	1.6
95.04995	0.8
95.08591	2.3
102.09173	1.5
105.07024	1.5
107.08579	0.8
108.34743	0.7
135.08025	0.9
137.06071	0.9
149.02316	1.7
193.04994	3.1
203.05809	1.0
217.07451	0.9
224.65634	5.4
229.07549	1.6
247.08490	1.3
261.14694	1.1
284.29681	0.9
285.29855	3.4
315.54349	0.8
347.15146	2.7
347.21945	100.0
347.33316	8.5
348.22177	3.2
365.16330	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05489	1.1
57.07065	1.3
67.05500	1.3
67.17056	0.9
69.07053	1.9
70.88480	0.8
71.58508	1.6
79.05475	1.2
81.07053	2.3
88.07603	1.2
91.05459	1.7
93.07017	2.2
95.08627	2.1
105.07050	1.6
107.08591	1.1
109.06491	1.2
118.31303	1.0
119.08566	2.0
126.65294	0.8
127.57452	0.8
135.08073	3.4
137.05945	1.9
177.12636	1.1
203.84489	0.9
206.72865	0.9
221.74985	0.9
262.00427	0.9
305.24786	2.6
342.95569	0.9
347.21918	100.0
347.25708	6.6
348.22229	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.1
55.05511	100.0
57.03419	10.1
61.02902	3.0
62.60103	3.0
64.15204	3.6
64.22926	3.2
67.05511	5.7
68.05844	3.8
69.03420	21.0
69.07059	4.3
70.06583	13.2
70.83137	4.9
70.83471	5.5
71.04979	6.8
73.02897	5.7
79.05493	4.8
81.03410	7.7
81.07050	7.0
83.08613	60.3
84.08124	4.9
85.02895	31.1
86.09707	8.5
87.00838	7.1
88.65820	3.2
91.05436	4.3
93.07037	8.1
95.08639	4.0
96.08109	3.7
97.02891	36.3
101.50877	3.0
105.01856	5.9
105.07097	3.2
109.10149	3.9
109.89404	3.1
110.09663	3.2
115.03935	51.2
121.06466	6.1
123.04422	4.9
125.02363	6.6
127.03931	6.6
133.04959	12.7
136.06110	4.0
137.05952	5.4
161.04488	14.9
163.03807	4.1
167.10637	4.8
195.02914	5.0
201.03934	5.0
219.04977	6.0
234.98787	4.0
247.04570	5.9
249.24078	11.7
251.22006	11.2
253.09300	3.5
299.08850	5.3
301.12576	5.0
311.23984	9.6
329.25137	17.1
344.47278	3.5
347.12854	11.0
347.26175	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
55.05504	6.7
55.93522	7.4
56.96559	2.0
57.03430	2.9
67.05500	6.5
69.07074	2.2
70.57139	2.1
70.71777	5.3
70.95856	7.8
71.61588	1.7
72.93790	13.4
79.05496	20.1
81.07047	8.1
83.04964	2.3
88.96899	4.3
90.94820	10.8
91.05485	13.4
93.07056	6.3
95.04977	5.2
95.08608	3.4
97.06542	1.8
97.10157	2.0
104.47594	1.7
105.07030	9.3
107.08608	6.7
108.95882	4.5
115.05483	2.0
117.07022	3.1
119.08585	7.6
119.49895	1.8
125.09553	2.5
128.96411	2.4
129.07048	3.2
131.08575	5.0
138.98424	2.6
141.06924	2.5
142.97873	1.8
143.08527	2.5
144.99454	2.2
145.10143	3.8
147.08131	2.2
148.99057	2.7
157.10114	4.0
164.99959	5.8
168.19363	1.9
172.99066	2.2
190.67070	1.9
192.99445	2.5
195.09938	2.5
213.03731	4.1
227.05341	3.1
241.05113	2.0
259.06323	14.4
269.09979	2.4
271.06326	6.6
273.18460	3.9
275.07251	4.3
281.09869	3.3
299.10898	4.0
329.12015	3.6
345.11407	3.8
347.13068	66.1
347.18268	100.0
348.13440	3.7
348.18298	2.3
364.77084	1.9
365.14545	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32692	2.6
51.61330	2.6
53.03934	3.3
54.92577	2.7
55.01865	10.5
55.05509	96.3
56.05862	3.1
56.96568	6.5
57.03437	14.0
59.04984	3.3
67.05492	10.1
68.05807	3.5
69.03429	26.8
69.07071	6.9
69.25238	23.2
69.25663	11.8
70.06589	20.9
71.05007	7.7
73.02897	5.1
79.05497	11.6
80.05817	3.6
81.03412	12.1
81.07060	14.1
81.66873	3.4
82.06567	3.7
83.08618	62.7
84.08163	7.5
85.02903	46.2
86.09711	14.2
87.00842	10.6
87.04458	4.4
91.05487	8.9
93.07045	11.9
95.04980	3.7
95.08623	4.9
96.08121	5.4
97.02888	39.7
97.06523	5.0
99.04424	4.2
103.05482	3.7
105.01852	7.1
105.07026	6.1
107.08591	4.8
109.02869	4.7
109.06513	3.3
115.03931	48.5
116.07040	3.4
119.08624	3.8
121.10168	5.6
123.04419	7.9
123.08141	4.7
125.02341	6.6
127.03924	11.0
133.04973	10.9
135.04471	3.8
136.06183	10.8
137.05988	9.7
149.05975	5.2
161.04500	21.8
161.05714	3.9
167.07066	3.6
167.10678	5.6
178.05008	3.5
195.02931	4.1
201.04018	4.8
219.05019	6.7
247.04477	4.1
249.24025	17.9
251.22011	13.3
267.25262	9.0
301.12534	8.0
311.24048	19.6
329.25031	21.3
347.12869	20.5
347.16806	11.9
347.26224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52615	0.5
55.05513	3.8
56.05023	1.7
56.70739	0.6
57.03432	0.9
58.06591	1.1
60.04513	0.6
65.87847	0.5
67.05172	0.7
67.05505	8.8
69.07055	2.4
69.79434	3.4
70.06592	11.8
71.04958	0.7
74.06068	0.9
79.05487	8.5
81.07053	9.3
82.06573	2.0
83.04984	0.5
83.08620	0.8
84.08136	0.7
91.05462	4.5
93.07043	8.0
94.06533	1.1
95.04971	1.3
95.08601	5.6
96.08132	5.9
97.06532	0.7
97.08928	1.0
98.09693	5.0
102.05019	0.5
105.07020	2.9
106.74829	0.5
107.08588	3.9
108.08062	0.8
109.10159	2.2
110.09669	1.6
114.09193	2.9
119.08585	2.6
121.09346	0.6
121.10082	2.6
122.09679	0.8
124.11231	1.1
131.08549	1.3
133.10121	1.5
138.12796	1.3
147.11665	0.8
149.13252	0.7
151.57082	0.5
152.14334	0.5
248.23740	18.0
249.24023	0.7
250.21657	15.6
251.22015	1.0
266.24820	5.7
268.22726	2.4
274.21713	2.4
278.44724	0.5
284.25854	2.7
286.23593	0.7
292.22662	3.6
310.23761	19.9
311.24072	1.1
328.24820	21.8
329.25137	1.3
346.25879	100.0
347.26218	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80170	0.4
57.07074	7.9
58.06598	1.8
68.02109	0.4
70.06590	18.2
70.97001	0.6
70.97329	0.8
71.08638	3.3
72.08148	1.0
73.58165	0.5
85.10175	1.5
88.07629	21.1
91.65806	0.4
98.29538	0.5
102.09180	15.5
102.81754	0.7
112.36674	0.5
132.10196	1.0
146.11774	0.5
150.11357	0.5
173.43045	0.5
185.41133	0.5
202.94543	0.5
240.26871	0.8
258.27942	0.6
284.29474	41.3
285.29694	2.4
328.32080	2.2
346.33151	100.0
347.33487	6.3
354.36395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00965	0.6
53.03929	0.5
53.72517	0.5
55.01852	0.7
55.05505	4.7
56.05019	2.2
57.03413	0.6
58.06581	0.9
60.04518	1.1
67.05508	7.7
69.07072	6.2
69.39714	0.5
70.06586	4.5
71.02457	1.1
71.02783	0.6
71.04983	2.0
74.06080	3.4
79.05493	8.4
81.07059	9.3
83.08622	0.6
84.08136	2.9
85.06538	0.7
91.05483	4.8
93.07045	8.9
94.01357	0.5
95.04944	1.4
95.08611	6.1
96.08125	5.9
97.08897	0.8
98.09695	5.5
105.06991	3.0
107.04989	0.6
107.08604	3.5
108.08127	1.6
109.06503	0.9
109.10143	2.0
110.09677	2.5
111.08037	0.6
114.09171	6.5
119.08582	3.0
121.10141	2.2
123.93439	0.6
131.08548	0.9
133.10114	1.9
135.11696	1.3
138.09203	0.6
138.12749	1.6
143.08505	0.7
145.10126	1.4
147.11671	0.8
149.13196	0.7
152.14339	1.3
159.11719	0.8
161.13324	0.6
205.06966	0.7
244.12851	0.6
248.23730	13.6
250.21669	13.4
250.24123	1.2
251.22223	1.3
266.24890	4.3
268.22705	3.0
274.21698	2.6
284.25885	2.2
286.23889	0.9
292.22742	3.5
310.23767	18.1
320.22134	0.7
328.24820	21.9
329.25211	1.5
345.14551	0.7
346.25888	100.0
347.12204	0.7
347.26123	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	21.4
67.05513	60.8
71.32016	16.7
71.32352	10.7
71.47262	9.5
72.73637	9.3
79.05481	19.8
81.07052	9.6
83.08654	8.9
91.05495	20.9
93.07017	12.5
95.08600	19.7
97.10154	13.8
100.00803	8.1
105.06997	9.2
107.08585	25.9
109.10178	61.6
125.09615	18.5
133.10097	15.1
147.11638	10.5
155.10690	18.3
173.11739	100.0
189.11157	15.9
248.80038	9.9
275.20093	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
55.05495	2.4
56.05021	0.9
57.03433	0.9
58.06589	1.3
59.44988	0.5
60.04498	0.7
65.20587	0.5
67.05505	7.1
69.07053	1.5
70.06591	11.8
71.02853	1.2
71.03173	0.6
79.05493	5.5
81.07061	7.1
82.06585	1.2
83.08591	0.6
84.04502	0.7
84.08149	0.8
86.18947	0.5
88.11251	1.0
88.73206	0.5
91.05472	3.1
93.07040	7.4
94.06593	0.7
95.04984	0.7
95.08600	4.6
96.08121	4.9
97.08920	0.7
98.09682	3.1
100.32616	0.5
104.61715	0.5
105.07015	1.7
107.08591	2.2
109.06482	0.6
109.10182	0.8
110.09668	1.0
114.09158	1.1
117.07009	0.6
117.93752	0.6
119.08564	1.6
121.10146	1.6
128.57086	0.5
133.10063	1.0
138.12805	1.2
147.11699	0.6
200.12834	1.1
217.15393	0.7
248.23737	16.0
250.21652	15.4
266.24796	5.3
268.22791	3.0
274.21436	1.3
284.25839	2.4
286.23734	0.9
292.19666	0.7
292.22549	3.1
310.23730	16.9
311.24179	0.8
313.47797	0.6
328.24808	15.1
346.25876	100.0
347.26248	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06270	0.7
53.39809	0.7
56.96550	1.0
59.64085	0.7
65.07698	0.8
69.07065	0.9
71.03128	2.6
90.46647	0.8
93.07037	0.8
106.81113	0.8
161.09381	0.8
187.67845	0.8
322.14880	0.8
345.20349	100.0
346.20706	4.4
346.33096	2.4
363.14783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
56.05022	1.6
56.96553	5.0
57.03432	2.6
61.02900	3.6
65.03938	1.4
67.05479	1.3
69.03422	7.2
69.93470	3.0
69.93880	3.6
70.06586	2.8
71.04999	1.7
72.08155	9.4
73.02911	2.4
79.05469	1.7
81.03416	2.6
82.52042	0.9
84.04478	1.4
84.08133	2.6
84.96025	1.8
85.02894	11.8
86.09684	1.6
87.04452	2.8
89.03913	1.7
92.05005	1.3
93.04533	5.6
93.07091	1.2
97.02890	5.2
98.97579	5.7
107.04940	1.8
109.02853	2.1
116.07063	1.5
116.98595	6.0
119.01832	1.4
120.04453	1.3
121.03973	21.9
122.03564	1.1
122.04327	12.9
124.07581	1.1
124.11228	3.0
127.03857	2.5
128.98573	2.2
134.99644	3.1
135.04402	3.3
136.07558	1.1
137.04208	1.1
137.05916	1.1
138.05470	4.4
138.09030	1.1
140.41768	1.2
142.12247	1.3
146.99582	1.4
148.03920	49.4
148.07449	1.6
152.07027	1.2
158.99660	1.7
161.01285	1.4
163.03864	7.1
164.04225	2.5
166.04988	100.0
166.08647	3.0
171.14931	2.5
177.00748	2.2
179.06108	1.1
184.06044	87.2
184.09630	4.0
184.13295	1.6
201.00722	1.8
219.01793	1.7
237.02815	4.3
241.10541	2.0
255.11984	1.5
266.08792	1.3
283.11627	2.9
301.12354	1.2
346.11380	3.3
346.14871	4.0
346.18622	2.3
346.25751	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2039
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
53.50113	1.5
61.41879	1.3
67.05513	1.8
69.32571	14.5
69.32978	1.8
79.05467	1.9
81.07054	2.9
93.07047	2.5
149.09703	1.7
164.66029	1.6
173.13261	1.6
335.86639	1.5
345.20401	100.0
346.20923	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2033
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
62.76525	0.8
69.60772	2.4
69.61197	4.4
76.40913	1.1
79.05471	1.2
81.07063	1.2
91.05479	1.5
93.14137	0.9
107.08581	1.5
119.08547	1.1
133.10107	1.5
137.17496	0.8
147.04164	1.5
147.11635	0.9
152.02319	0.9
157.26886	0.9
158.62318	1.0
261.10898	2.1
276.13345	2.5
300.38126	0.9
345.20337	100.0
346.20651	4.4
346.33203	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04855	1.9
53.03940	2.8
55.01871	24.6
55.05504	14.4
57.07071	2.7
67.05505	18.7
69.07075	21.0
69.60922	18.4
71.04951	2.6
77.14215	2.3
79.05493	24.4
81.03416	8.7
81.07051	24.7
83.04987	10.9
85.02863	2.4
91.05469	21.9
93.07056	20.8
95.04970	24.2
95.08593	21.9
97.06514	10.2
98.20798	4.4
105.07020	19.6
107.04951	45.3
107.08583	10.1
109.06512	9.5
109.10142	6.1
111.04433	5.3
117.06995	7.4
119.08590	20.9
119.49200	2.4
121.06503	9.3
121.10132	7.5
123.08062	5.7
129.06979	5.8
131.08559	15.3
133.06483	6.2
133.10114	13.6
135.08040	7.7
135.11656	3.1
137.09602	6.0
142.07747	2.8
143.08531	4.6
145.00504	4.6
145.10176	4.1
147.08038	5.4
147.11668	6.9
149.09618	34.5
149.13222	2.2
157.10135	10.6
159.08131	2.8
159.11691	7.3
161.09631	7.7
171.11678	5.1
175.11165	15.0
177.12775	5.9
185.09592	2.9
189.12802	4.4
191.10556	2.5
217.12074	2.6
229.09647	2.8
235.13318	21.7
255.17490	3.1
273.18481	10.3
275.10370	2.2
280.29492	2.3
291.19537	100.0
303.08728	2.6
309.16125	4.5
327.17297	2.9
339.06155	2.9
345.11298	2.6
345.24258	8.0
365.16385	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
57.36172	0.4
61.14184	0.4
64.12703	0.4
65.03946	0.9
65.09060	0.5
66.18819	0.4
67.05497	2.4
68.05014	0.7
69.03399	0.4
69.07063	6.5
69.32781	0.5
69.37387	4.4
72.08144	0.5
78.86571	0.4
79.05499	1.2
80.04997	1.0
81.07057	0.9
84.08081	0.5
85.86208	0.4
89.03909	2.0
93.05788	0.5
94.06567	11.5
95.04961	2.0
96.04494	0.4
96.57294	0.4
97.06567	0.4
108.08112	1.1
109.06472	0.7
110.06035	2.1
111.06791	0.5
112.07590	1.6
116.04981	7.5
118.06523	0.5
118.50574	0.4
122.06026	21.0
123.04402	1.2
129.06993	0.5
134.05981	0.7
137.02348	0.6
137.05884	0.5
140.07059	29.8
141.07858	1.0
144.04442	18.0
146.06003	7.3
147.00996	0.4
149.05925	0.4
162.05507	8.7
172.03928	66.9
173.04326	1.4
174.05533	2.9
178.08604	1.1
190.04919	2.3
192.06552	0.6
204.06554	100.0
205.06999	2.5
206.08118	13.6
229.90031	0.5
240.10016	0.6
244.92955	0.4
268.09729	0.5
297.87872	0.4
300.12311	3.3
313.11673	2.1
316.04996	0.5
327.13123	0.8
328.11887	0.5
331.12738	2.3
345.06000	2.1
345.14221	2.7
345.24695	0.9
346.25571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06314	1.0
55.05486	0.9
63.46894	0.9
69.03413	2.4
70.06583	4.1
71.04944	1.0
71.57435	1.5
71.57799	1.0
77.16930	0.9
79.05488	3.4
81.03421	1.4
81.07056	1.6
84.08128	2.4
85.02889	3.7
86.09700	2.7
91.05491	2.4
93.07033	1.5
95.04969	1.5
96.08141	0.9
97.02892	1.9
98.97576	1.5
103.58260	1.0
105.06990	0.9
106.95138	1.2
107.08598	1.2
109.02839	0.9
109.06521	1.1
116.07127	1.2
116.98662	2.3
119.04934	1.4
120.05217	1.1
121.03950	2.0
123.09106	1.0
136.07544	1.9
137.05998	2.5
147.04433	6.4
148.04733	6.5
165.05492	2.6
165.08913	1.8
165.10126	1.1
166.05902	2.3
177.00690	1.2
183.09911	2.0
183.11375	1.5
191.07050	1.4
203.05272	1.5
219.05518	1.1
237.02702	1.3
243.05319	1.3
300.47623	1.1
310.23804	1.7
313.10507	1.3
327.23520	1.5
328.24863	1.1
345.15189	100.0
345.24500	3.5
346.15460	3.8
346.25821	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.6
57.03423	0.5
65.03934	1.6
65.45121	0.5
67.05510	3.0
68.05020	1.3
69.07057	4.9
70.06591	0.6
79.05466	1.6
80.05005	0.8
81.07034	1.5
83.04932	0.7
84.08112	1.0
85.02949	0.7
86.09703	1.2
89.03898	2.0
91.05449	1.6
93.05779	0.5
93.07013	0.9
94.06563	11.2
95.04975	1.5
95.08587	1.0
97.06502	1.0
105.06990	0.7
107.08601	0.6
108.08089	1.5
109.06531	1.3
109.10105	0.6
110.06016	2.3
112.03925	0.8
112.07578	1.8
116.04980	8.4
117.06957	0.6
118.06522	0.8
119.08547	0.7
122.05164	1.2
122.06021	21.8
123.04419	1.5
126.37029	0.6
132.04419	0.6
134.06041	1.2
137.05954	2.2
140.07059	27.0
144.04433	17.8
144.05376	0.4
145.05067	0.5
145.10176	0.5
146.05992	7.6
161.05957	0.7
162.05476	8.8
172.03922	67.1
173.04312	1.3
174.05484	2.9
175.97548	0.5
178.08568	0.8
190.04953	2.8
192.06529	0.8
204.06546	100.0
205.06929	4.0
206.08112	13.8
285.12125	1.1
300.12305	1.8
313.11792	1.1
327.12933	0.8
331.12973	2.0
345.05911	2.5
345.14526	3.9
345.24570	1.3
346.25934	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19560	0.8
52.89070	0.7
53.03941	1.0
55.05507	1.1
63.13848	0.8
65.03927	1.4
67.05492	4.7
68.05030	0.8
69.03432	1.4
69.07065	26.1
69.57083	5.6
79.05499	3.0
80.05016	0.9
81.07047	3.8
88.58957	0.7
89.03941	2.1
91.05485	1.7
93.07062	1.5
94.06559	12.4
95.04967	3.1
95.08600	1.7
97.06530	0.9
98.20752	1.5
101.85485	0.7
105.07023	1.0
107.04948	1.1
107.08653	1.2
108.08122	2.7
109.06519	2.6
109.10151	1.6
110.06025	2.4
112.07615	2.3
116.04977	9.1
118.06525	1.3
119.08603	1.1
122.06024	19.6
123.04441	1.1
134.05951	1.2
135.24106	0.8
137.05930	1.3
140.07060	54.9
141.07776	0.9
144.04448	19.5
146.06013	11.6
147.06776	1.0
147.11726	1.3
148.07578	1.4
154.08563	1.2
160.03883	1.9
162.05504	8.9
163.03807	0.9
172.03931	64.7
173.04324	2.0
174.05527	5.8
178.08664	1.4
184.07712	1.1
190.05005	4.4
192.06610	1.0
194.09697	0.8
198.09052	1.3
204.06555	100.0
205.06978	2.1
206.08138	19.4
212.06967	1.3
212.10730	2.5
213.11551	1.2
225.07823	1.5
240.10228	4.0
256.09805	0.9
257.10461	1.2
268.09720	2.7
272.08960	1.0
296.09229	1.1
300.12296	21.0
313.11795	3.1
327.13339	2.8
328.11798	3.2
331.12869	3.5
334.02417	0.8
345.14557	4.7
345.24680	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	62.7
56.96551	17.0
65.07890	10.1
67.05503	31.0
69.07072	28.1
71.58287	10.7
74.06096	19.4
79.05492	95.7
81.03423	20.0
81.07072	14.7
83.04985	11.0
83.08628	30.4
91.05482	29.6
93.07043	100.0
95.04951	19.4
95.08598	31.4
97.10151	57.5
105.07023	14.0
107.04925	11.8
107.08597	34.7
119.08620	18.8
121.10126	22.0
123.08100	22.7
125.09643	28.2
140.06989	10.9
141.09099	18.3
144.70366	10.3
145.06395	10.2
149.06017	12.7
163.07597	13.1
172.03906	14.7
189.11223	71.9
209.04443	13.3
221.15388	15.8
223.13297	19.6
272.06406	12.5
284.09241	11.1
344.08389	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.05511	4.4
56.05038	5.6
56.10552	0.6
60.60525	0.7
65.03923	0.8
67.05172	1.3
67.05505	12.3
69.03437	1.1
69.07069	5.0
70.06591	8.5
71.04978	2.5
71.57712	1.3
72.08153	6.7
73.11770	0.6
74.23304	0.7
79.05107	0.8
79.05497	7.0
80.05027	0.7
81.03409	0.7
81.07050	13.5
82.06578	1.6
83.04957	0.7
83.08609	1.5
83.31652	0.7
84.04530	0.7
84.08151	1.3
85.02894	1.2
85.06555	1.2
86.09692	0.8
88.03983	3.6
91.05457	3.6
91.07601	0.6
93.07037	7.9
95.04971	0.8
95.08602	11.8
96.08095	1.5
97.06547	0.9
97.10130	0.8
98.09686	0.9
100.74103	0.6
105.07027	2.4
107.08575	4.3
108.08115	1.0
109.06522	1.0
109.10166	3.8
110.09661	1.8
114.09146	1.4
117.07005	0.8
118.08639	0.7
119.08551	2.3
121.10130	4.1
123.11702	0.8
124.11202	2.0
127.78731	0.6
131.08536	1.8
133.10109	1.9
135.11745	1.0
137.05984	1.8
140.07031	1.0
143.08589	0.6
145.10080	1.9
147.11690	0.9
161.24106	0.7
171.11749	0.8
172.03920	1.5
185.13213	0.9
204.06541	1.5
220.20557	4.1
222.22160	27.5
223.22527	0.8
224.20078	9.3
229.06174	0.9
248.17574	1.5
248.20084	22.3
262.17929	1.2
264.23264	1.3
266.21161	14.5
280.18994	1.3
282.24249	10.7
283.09586	1.5
284.22186	47.3
285.22601	1.7
290.21182	0.8
298.11688	1.0
308.22147	2.2
308.29355	1.0
326.23123	3.9
344.24292	100.0
344.31332	2.6
345.24600	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	57.6
57.03433	14.0
65.41537	8.5
67.05510	55.0
69.07049	27.3
69.28213	100.0
71.04987	20.0
79.05499	57.7
81.03409	25.6
81.07059	48.7
82.06564	15.5
83.08617	31.3
85.06545	11.7
87.35558	7.8
88.07667	12.3
89.64790	10.2
91.05468	36.3
93.07044	54.7
95.04962	26.2
95.08573	21.7
97.06551	13.3
97.10185	52.9
98.40278	8.1
105.07003	20.7
107.04948	11.6
107.08586	27.0
113.06033	14.8
117.06989	13.1
119.08576	10.4
121.10147	15.9
123.08026	17.4
125.09617	56.4
131.08586	12.9
154.12265	16.0
163.07466	11.6
167.64772	8.5
178.81117	9.1
189.11247	55.2
190.42369	9.2
210.38800	8.7
221.15308	10.4
223.13278	14.3
291.19681	9.7
308.22168	11.2
326.23080	23.2
344.24344	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	36.8
57.03439	22.2
67.05492	81.2
69.07075	89.2
71.05003	45.1
79.05493	100.0
81.03415	64.6
81.07056	74.2
83.04995	25.2
83.08601	26.1
91.05486	59.5
91.88223	21.1
93.07063	91.8
95.04959	51.0
95.08608	47.9
97.06544	69.7
105.07053	47.5
107.04956	29.4
107.08602	45.7
109.06549	43.0
109.10178	25.2
111.08236	19.8
115.07593	41.3
117.07067	27.2
119.08562	37.8
121.10157	42.5
131.08542	51.4
166.75531	21.1
198.53828	20.6
223.44571	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15833	1.8
56.96536	2.9
57.03417	2.7
59.04705	3.9
59.04999	64.0
61.02919	2.7
67.05487	2.6
69.03413	5.8
70.06590	5.4
70.82576	3.8
70.82910	3.8
73.02912	2.2
77.06028	2.0
79.05495	2.0
81.03416	5.2
84.04470	1.8
85.02430	2.4
85.02910	28.8
86.09734	3.4
87.04426	1.8
89.06047	20.7
91.05457	4.4
95.04990	2.8
97.02893	8.0
98.97608	2.9
99.04417	2.8
103.07581	76.5
107.51172	1.8
109.02848	4.2
116.98656	2.1
119.04903	11.8
122.06032	4.7
127.03904	4.4
133.08624	11.0
136.07532	2.2
143.03162	3.7
145.04938	3.8
146.05984	3.7
147.04404	59.8
147.05528	3.9
148.04691	1.9
164.07054	25.0
165.05478	28.2
165.11232	100.0
182.11775	3.8
198.13815	1.9
202.06879	4.5
237.02545	2.2
300.17191	2.9
326.23392	3.2
344.13266	9.5
344.24332	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01876	2.2
56.96579	0.9
57.03431	1.1
59.73268	0.6
60.04529	0.9
61.02919	1.9
65.03904	0.7
67.05491	2.1
69.03428	6.9
69.07068	1.5
70.06598	5.8
71.04985	0.8
71.57417	0.6
71.57809	0.7
72.08154	0.7
73.02892	1.1
73.06522	0.6
79.05476	2.0
81.03405	1.7
81.07050	2.1
84.04471	0.9
85.02903	10.6
86.09698	1.3
89.03912	1.2
91.05482	4.5
93.07044	2.1
94.06548	1.7
95.04974	1.6
95.08603	0.9
96.08084	1.0
97.02908	4.9
98.97578	2.5
103.60478	0.6
105.06988	1.2
107.04928	0.7
107.08590	1.2
108.08121	7.5
109.02885	1.4
110.06083	0.7
110.09676	1.3
116.98614	2.5
117.03338	1.0
117.05791	0.6
118.06544	2.1
119.04953	6.1
119.08573	0.9
119.17092	0.7
120.08073	1.4
121.10140	1.4
122.09663	10.4
123.04485	0.8
127.03913	2.0
133.02858	0.6
134.99632	1.7
135.04396	2.4
136.07564	1.5
136.11218	8.5
137.05931	0.9
138.09109	0.8
145.02820	1.7
145.04951	2.0
146.09644	8.9
147.04408	30.7
147.08015	0.8
147.47258	0.6
148.04750	0.7
151.20557	0.7
158.99722	1.0
162.09192	0.6
163.03894	8.8
164.04291	0.8
164.10710	80.8
165.05479	15.7
165.11040	1.9
166.12277	4.9
177.00755	1.4
179.03308	0.6
180.03723	1.2
182.02754	0.8
182.08290	2.0
182.11761	100.0
183.12050	1.3
191.06981	1.0
231.05414	1.1
264.23126	0.9
266.21008	1.3
290.20987	0.9
308.22137	2.4
313.10629	1.0
326.23254	5.4
344.13303	1.2
344.17004	3.7
344.24252	12.1
345.15338	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05024	2.8
57.03401	1.4
60.04514	3.7
67.05490	4.6
67.24940	1.2
68.05004	1.9
69.03416	4.1
69.07052	3.8
70.00224	4.7
70.00636	2.2
70.06593	8.9
70.11910	1.3
72.08139	1.5
79.05471	5.4
81.03410	2.5
81.07047	5.9
82.06588	1.7
84.08095	3.0
84.43472	1.2
85.02903	17.3
85.06555	1.7
86.09686	4.7
91.05490	9.9
93.07037	5.8
94.06561	3.4
95.04964	2.3
95.08587	2.4
96.08123	6.0
97.02880	4.4
98.09706	1.9
99.04450	1.7
105.07023	3.9
107.07339	1.9
107.08564	2.5
108.08097	7.1
109.06510	2.6
110.09678	2.5
116.07090	2.5
117.07058	2.2
119.04939	19.3
119.08566	2.5
122.09684	7.4
123.04436	2.2
127.03904	3.1
131.08618	1.7
133.10130	1.4
136.11218	2.8
145.04961	3.8
147.04404	100.0
148.11255	1.7
164.07120	2.0
165.05478	53.0
182.08214	2.9
246.22212	3.9
248.20090	5.3
262.21854	2.1
264.23303	6.9
266.21185	5.1
282.24417	2.2
284.22333	1.9
290.21149	4.8
296.22333	1.9
308.22076	9.2
326.23294	28.4
344.07520	1.6
344.24289	85.0
345.05917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	6.4
55.01861	8.6
55.05517	20.9
55.76154	1.9
56.33179	1.9
57.03424	10.1
57.07076	9.9
59.04992	7.9
65.03937	3.6
67.05170	3.2
67.05503	34.2
69.03430	11.7
69.07065	12.2
70.33154	6.2
71.04997	21.3
79.05489	26.2
81.03406	7.6
81.07054	38.0
83.04958	6.1
83.08646	2.9
85.06537	4.1
91.05477	40.0
93.07044	82.4
95.04971	71.2
95.08606	96.9
97.06533	15.0
103.05481	3.0
105.07030	93.8
106.09949	2.1
107.04933	7.2
107.08594	62.4
108.05735	2.7
109.06519	26.2
109.10170	4.5
111.08099	3.1
111.11469	2.0
115.05464	7.3
117.07013	36.2
119.08578	32.9
121.06514	25.2
121.10133	17.2
122.07253	3.3
123.08068	31.0
125.05993	3.8
125.09591	2.2
128.06190	5.0
129.07042	5.8
130.07817	16.8
131.08569	10.6
133.06488	6.6
133.10146	21.4
135.08052	27.1
135.11720	21.2
137.05972	3.6
137.09596	9.4
142.07771	5.6
143.08551	12.1
145.06421	4.5
145.10124	100.0
147.08035	18.6
147.11678	5.6
149.09628	6.4
151.07542	59.6
153.06961	2.6
153.09088	4.7
155.08537	5.4
156.09367	5.5
157.10092	10.4
158.10773	1.8
159.08061	4.5
159.11703	12.3
161.09602	9.9
161.13257	4.6
163.07545	2.7
163.11176	66.2
165.09117	21.8
169.10080	4.9
170.10957	2.7
171.11699	8.9
173.09622	5.4
173.13295	4.5
175.11201	6.5
175.14961	2.8
177.09128	8.5
179.06912	3.1
179.08569	2.0
181.10202	3.2
181.12225	2.8
183.11746	5.0
185.09561	2.8
185.13263	4.3
187.11148	6.6
189.09157	2.7
189.12784	11.9
191.14352	5.6
195.11629	3.0
197.13287	4.6
199.14824	3.4
201.12706	2.8
203.14406	10.9
207.10040	3.5
207.11882	2.9
207.13765	8.8
209.13329	4.5
209.15213	3.7
211.14822	2.7
215.14243	4.4
217.12305	4.1
221.13371	3.1
221.15372	33.8
223.14827	4.2
225.12750	3.8
227.14325	3.1
233.15427	2.9
243.13875	3.3
263.16513	6.9
265.19312	2.4
269.15295	5.4
270.10358	2.4
274.19174	2.5
286.19229	4.9
287.19937	3.6
299.19818	2.3
307.20547	2.4
325.21594	12.5
329.51993	1.9
343.22668	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
54.10297	3.1
55.01861	7.4
55.05503	27.4
57.03418	13.8
57.07058	11.3
59.04967	4.8
60.08943	3.3
67.05489	28.2
69.03429	12.9
69.07050	13.1
69.54464	14.5
69.54888	15.9
71.04987	22.0
75.27693	3.4
79.05488	32.8
81.03397	4.7
81.07044	34.5
83.04965	8.2
83.08615	6.7
91.05471	48.2
93.07037	87.0
95.04959	62.7
95.08596	92.6
97.06544	24.6
98.21477	8.1
105.07021	100.0
107.04937	5.4
107.08576	59.8
109.06493	18.8
109.10134	8.3
111.08088	3.9
115.05433	7.1
117.07022	35.4
119.08566	38.1
121.06488	16.0
121.10143	24.9
123.08067	35.3
128.06145	5.2
129.05467	3.6
129.07010	7.5
130.07777	16.9
131.08575	16.3
133.06438	6.7
133.10094	18.7
135.08072	20.3
135.11653	22.8
137.09595	6.3
141.97466	3.6
142.07770	4.6
143.08533	13.6
144.09308	6.0
145.10107	87.4
147.08055	18.5
147.11668	8.4
149.09608	8.1
150.60027	3.8
151.07526	42.8
153.06979	3.5
153.09143	7.7
155.08536	5.4
157.10133	12.3
159.11673	9.7
161.09631	11.9
161.13206	4.6
163.11171	57.6
165.09081	17.9
167.08528	4.0
169.10152	5.3
171.11725	8.5
173.09628	5.2
173.13199	6.4
177.09134	7.4
179.06963	4.8
181.10162	5.8
183.11723	4.9
187.11092	6.5
189.12723	13.5
191.14279	5.7
197.13290	7.2
199.14714	3.8
201.12686	3.7
203.14346	11.1
207.10025	5.9
209.13374	5.0
209.15331	4.4
215.84816	4.1
221.15364	28.6
263.16409	8.1
269.15631	4.1
307.20480	4.1
325.21582	7.7
343.18726	45.7
343.22665	72.7
343.26428	7.4
344.23087	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03940	9.5
53.26045	3.6
55.01865	7.1
55.05502	20.2
57.03431	9.4
57.07071	12.0
59.04973	4.6
63.59891	3.7
65.03928	5.5
67.05500	36.0
69.03410	11.4
69.07066	9.9
70.29655	18.1
71.04981	25.3
77.08907	3.7
79.05477	31.2
81.07053	37.8
83.04979	6.6
85.06536	5.0
91.05478	41.9
93.07037	93.2
95.04958	61.0
95.08604	94.9
97.06491	18.7
103.05479	4.1
105.07028	100.0
105.36685	3.8
107.08591	61.6
109.06529	22.2
109.10169	4.9
115.05439	10.4
117.07011	37.5
118.70387	3.7
119.08585	30.4
121.06506	16.7
121.10116	22.1
123.08054	35.9
125.05927	4.2
129.06960	6.3
130.07782	23.1
131.08549	8.8
133.06406	6.0
133.10115	22.7
135.08028	27.0
135.11710	14.1
137.05951	5.9
137.09634	5.4
142.07750	4.3
143.08557	18.0
145.10114	95.9
147.08040	18.0
147.11699	7.2
147.70793	5.4
149.09613	9.8
151.07530	63.9
156.09367	4.2
157.10114	12.7
159.11702	12.6
161.09596	11.3
163.11177	77.2
165.09071	26.4
169.10136	6.3
170.10733	4.6
171.11723	7.8
173.09608	6.7
173.13260	5.1
175.11224	5.0
177.09192	10.7
179.06935	7.5
181.12363	3.9
183.11804	4.0
185.13268	5.5
187.11143	8.8
189.12750	21.7
199.11099	5.4
203.14311	9.8
207.13824	7.7
217.12291	5.2
221.15382	32.3
223.15013	4.9
227.14377	4.0
233.15312	8.0
263.16653	4.9
269.15439	6.9
269.80176	4.1
325.21548	10.7
343.22632	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03928	6.1
55.01862	7.1
55.05513	18.0
57.03422	9.8
57.07062	9.7
59.04984	9.1
65.03924	2.7
67.05503	30.4
69.03416	8.6
69.07052	7.9
70.18723	11.1
71.05000	25.2
79.05488	25.9
81.03451	2.5
81.07050	35.8
81.77477	2.2
83.04967	7.0
85.06525	7.1
91.05475	42.8
93.07037	75.8
95.04966	61.6
95.08607	100.0
95.79933	2.0
96.96844	2.2
97.06520	15.1
103.05441	4.5
105.06306	4.2
105.07025	84.1
107.04948	5.2
107.08591	48.6
108.05766	3.0
108.08932	2.5
109.06509	21.7
109.10122	4.3
112.10994	2.3
115.05462	9.5
117.07007	32.5
119.08580	34.1
121.06486	14.2
121.10154	20.9
123.08067	25.9
125.05947	3.1
128.06163	2.4
129.06981	8.4
130.07777	19.3
131.08524	12.7
133.06451	7.6
133.10126	20.8
135.08044	23.9
135.11662	18.0
137.05933	2.7
137.09644	4.2
142.07797	4.5
143.08545	13.9
145.06404	3.1
145.10118	88.5
147.08012	13.1
147.11705	6.3
148.08925	2.6
149.09648	4.9
151.07538	47.0
153.09128	3.4
155.08589	4.5
156.09267	3.2
157.10133	10.1
159.08034	5.3
159.11667	9.2
161.09619	13.2
161.13283	5.6
163.11163	70.8
165.09146	18.4
169.10153	4.1
171.11624	3.8
173.09607	7.4
173.13242	7.2
175.11186	3.2
177.09113	6.4
179.07033	7.9
181.12262	3.3
183.11639	3.7
185.09592	3.0
185.13148	4.8
187.11165	7.0
187.14728	3.2
189.09134	3.2
189.12637	11.9
197.13272	6.6
199.11142	2.8
201.12740	3.1
203.14261	11.5
207.13782	6.1
209.15384	3.9
215.14311	4.0
217.12193	3.3
221.15369	26.0
224.75766	2.6
231.13896	2.3
263.16479	6.6
286.19330	7.6
287.16415	3.6
325.21472	9.1
343.22665	57.8
344.22922	4.1
345.36169	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01862	3.8
55.05504	3.9
57.03436	3.3
57.07059	2.2
61.02912	7.3
67.05494	4.7
69.03134	1.7
69.03432	18.2
69.07068	3.4
70.06586	5.9
70.71056	5.0
71.04976	3.5
73.01962	1.5
79.05485	7.9
81.03423	9.0
81.07059	14.8
83.04984	11.1
85.02898	42.0
85.06536	2.5
86.09689	4.0
87.04449	3.1
91.05472	8.7
93.07037	16.8
95.04964	24.9
95.08580	3.9
96.94390	1.5
97.02874	10.6
97.06534	6.1
99.04453	3.2
103.05482	2.0
105.07037	12.6
107.04935	4.2
107.08585	15.5
109.02840	3.7
109.06487	4.2
117.07008	5.5
119.08556	6.8
121.06467	5.9
121.10136	13.3
123.04388	2.6
123.08042	3.0
125.05975	14.6
127.03870	10.7
130.07779	4.4
131.08585	2.0
133.06462	2.1
133.10135	2.0
135.11684	8.1
137.05919	4.0
143.08556	2.5
145.04996	8.0
145.10115	20.0
147.08035	2.2
147.11696	1.7
161.09572	2.7
163.11172	100.0
165.12718	4.8
175.11157	3.5
181.04826	2.4
181.12219	18.3
304.23962	1.9
326.23438	5.3
343.12085	3.2
343.23096	1.8
344.24261	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01860	3.7
55.05506	4.0
57.03438	4.2
57.07069	2.2
58.29612	1.8
58.65100	1.6
58.78844	1.8
61.02920	6.9
67.05505	2.7
69.03427	20.3
69.07061	2.2
70.06578	3.5
71.04992	3.9
71.27325	3.9
71.27666	3.8
72.08159	2.0
73.02920	2.1
79.05492	7.0
81.03412	5.7
81.07062	9.6
83.04974	8.2
83.08599	2.2
84.08132	2.7
85.02907	38.2
87.04465	2.1
90.67580	1.7
91.05482	10.1
93.07048	13.0
95.04974	20.3
95.08605	3.7
97.02877	10.8
97.06525	5.6
105.07026	8.8
107.04947	3.5
107.08607	13.0
109.02898	3.1
109.06535	6.0
113.88512	1.7
115.05408	2.1
117.07024	4.5
119.08572	7.5
121.06485	4.1
121.10137	12.2
123.08003	2.6
125.05991	14.2
127.03919	7.6
130.07770	4.5
133.10120	1.9
135.08076	2.5
135.11691	7.3
137.05966	5.6
145.04973	7.3
145.10123	19.5
147.04503	2.0
147.11682	2.1
161.06015	3.9
163.11176	100.0
165.12749	3.4
175.07573	3.0
175.11122	2.4
181.12236	21.3
190.75099	1.7
191.53284	1.8
205.12154	2.9
219.10205	1.8
223.13338	1.8
264.23340	2.7
265.08603	1.9
265.88367	2.0
299.12766	3.2
311.12772	2.7
326.23224	5.6
343.04413	6.4
343.23199	2.9
344.24295	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Phaseollidin hydrate
Peak:m/z	Relative Intensity
62.90486	1.0
67.05492	4.0
68.76707	0.9
69.07066	1.2
70.91588	2.7
79.05495	2.9
81.07063	2.4
81.59008	0.8
83.08597	1.3
91.05472	3.1
93.07035	1.9
95.02600	1.1
95.04957	2.6
95.08581	1.3
97.85841	0.8
103.05452	1.0
105.07011	3.3
107.04969	1.6
107.08576	1.3
109.02831	1.1
112.28070	1.0
119.04954	1.8
119.08581	1.3
123.04425	67.1
124.04742	1.6
131.04938	2.6
131.08600	1.2
133.06491	0.9
135.04410	3.4
135.11656	1.2
137.02251	0.8
147.04395	11.3
149.05983	2.3
154.85426	0.9
155.79547	0.9
159.04411	7.3
160.05234	0.9
161.05952	1.7
163.03854	1.0
163.07535	1.2
165.05472	18.7
167.03380	3.3
171.08040	1.5
177.05464	24.5
195.08061	1.2
199.07614	1.1
213.09163	1.6
215.07001	3.1
221.11713	7.1
223.07541	2.5
226.06155	1.5
227.06932	1.3
233.11743	17.8
241.08557	2.0
251.07014	3.6
269.08072	100.0
270.08514	2.7
314.32108	1.0
325.14307	25.7
332.47070	1.0
343.15311	2.8
343.22562	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03931	0.5
55.01855	0.8
55.22538	0.2
57.03417	0.2
65.03926	0.3
67.05490	0.5
68.99789	0.9
69.03408	0.4
69.07062	0.2
69.45309	1.5
76.91354	0.2
77.03915	0.2
79.05490	4.7
81.03410	0.3
81.07040	0.6
83.04963	0.2
85.02865	0.4
91.05468	2.9
92.06242	0.3
93.07037	0.9
95.04443	0.3
95.04967	2.7
95.08584	0.5
97.02848	0.3
97.06517	0.3
98.21497	0.4
100.67822	0.2
103.05459	6.4
105.03363	0.3
105.07026	13.7
106.07306	0.3
107.04947	1.6
107.08583	0.7
108.27505	0.2
109.06501	0.8
109.10131	0.3
115.05447	1.3
117.06984	0.6
119.04913	0.2
119.08553	0.6
120.05707	0.7
121.06484	0.7
122.76215	0.2
123.04408	0.2
123.08030	0.6
128.06174	0.4
129.06992	1.3
131.04921	1.7
131.08545	0.4
133.06493	2.4
133.10075	0.2
135.04417	1.0
135.08037	1.8
135.11635	0.2
137.05963	1.1
141.06956	0.3
144.05649	0.3
145.06407	0.4
146.07253	0.2
147.04411	0.5
147.08012	0.7
148.05185	0.8
149.05983	6.2
151.07558	1.2
157.06487	0.6
158.07259	0.5
159.08061	0.4
160.05092	0.4
161.05986	0.5
161.09578	0.4
162.06776	0.3
163.07533	100.0
164.07889	3.1
165.05452	0.5
165.09120	0.5
167.07057	1.1
167.08249	0.2
173.05983	0.3
174.06796	1.1
175.07535	5.2
177.09111	3.6
178.09418	0.2
181.08595	4.6
181.12248	0.2
187.07428	0.2
189.09100	9.4
190.05028	0.2
190.09506	0.6
193.08597	0.8
207.10133	1.5
223.11345	0.2
265.12515	0.2
307.10278	0.2
307.13428	0.3
311.09525	0.2
311.12714	0.8
325.14359	3.8
326.14578	0.3
343.15405	7.0
343.22083	0.3
343.26468	0.2
343.87888	0.2
344.15601	0.6
344.24222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03929	0.8
55.01860	1.0
55.05502	0.8
67.05492	1.3
68.99773	1.4
69.03420	0.4
69.07046	0.8
69.97676	0.4
70.24500	1.5
77.03933	0.5
79.05495	4.0
81.03410	0.8
81.07066	2.0
83.08649	0.4
85.06567	0.4
87.36082	0.4
90.12890	0.3
91.05477	3.4
93.07035	1.4
95.04955	1.9
95.08603	1.6
95.45240	0.3
97.06510	0.7
100.12016	0.4
103.05470	5.7
105.07028	13.6
107.04942	0.9
107.08607	1.3
109.06517	1.0
109.10175	0.6
115.05430	1.0
117.07009	0.9
119.04930	0.9
119.08589	0.9
120.05718	0.7
121.06483	0.9
121.10130	0.5
123.04426	0.7
123.08040	0.4
128.06221	0.6
129.06999	1.9
131.04945	2.0
131.08568	1.1
133.06516	2.3
133.10164	0.4
135.04416	1.2
135.08064	1.8
135.11707	0.5
137.05942	1.2
141.06979	0.4
145.06529	0.6
145.10170	0.6
147.04376	0.8
147.08052	0.8
148.05136	0.8
149.02371	0.9
149.05983	7.1
149.09663	0.5
151.07553	1.3
157.06544	0.8
158.07236	0.6
159.08107	0.5
160.05209	0.3
161.05974	0.9
161.09650	0.7
162.06801	0.4
163.07539	100.0
164.07909	2.6
165.05447	0.4
165.09145	0.4
167.07031	0.8
174.06755	1.4
175.07562	6.3
177.09100	4.0
181.04973	0.3
181.08604	2.0
185.06012	0.3
187.07545	0.6
189.09109	12.0
193.08556	0.9
197.05916	0.8
198.06815	0.3
207.10123	1.8
215.07080	0.9
224.08498	0.3
233.07973	0.5
267.10278	0.3
271.05963	0.6
279.10007	0.5
297.11172	0.9
307.13446	0.5
311.12796	1.4
325.10825	0.9
325.14377	5.3
326.14795	0.4
343.11838	0.9
343.15430	7.6
343.22476	0.4
343.26379	0.6
344.15942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.58838	0.4
55.01871	1.4
55.05492	1.4
56.96556	0.5
57.03426	0.8
57.26215	0.4
61.02922	0.5
67.05496	2.1
67.37758	0.4
69.03422	1.8
69.07072	0.6
69.78625	2.4
71.04992	1.0
77.03925	0.5
79.05491	4.0
81.03413	1.2
81.07049	1.9
83.04971	0.7
83.08620	0.5
85.02905	2.4
85.06573	0.6
91.05464	3.7
93.07035	1.9
95.04986	2.3
95.05497	0.4
95.08605	1.7
97.02882	1.7
97.06529	0.9
103.05454	7.0
105.07030	17.1
107.04951	5.6
107.08602	1.6
109.06513	1.6
109.10149	1.1
115.05462	1.3
117.07027	1.0
119.04945	0.4
119.08556	1.5
120.05737	0.5
121.06497	1.2
121.10163	0.5
123.04408	0.7
123.08072	0.6
125.09662	0.7
125.11623	0.4
128.06247	0.6
129.07048	0.9
131.04893	2.5
131.08510	0.7
132.56371	0.4
133.06480	1.8
133.10127	0.9
135.04417	1.8
135.08034	1.9
135.11659	0.8
137.02310	0.5
137.05946	0.9
137.09579	0.5
145.06451	0.7
145.10114	0.9
147.04436	0.6
147.11662	0.5
148.05188	1.0
149.05977	1.6
149.09630	0.5
150.13306	0.5
157.10115	0.6
159.08087	0.5
159.11665	0.8
161.05864	0.5
163.07535	100.0
163.11226	1.5
164.07886	1.4
165.09099	1.2
167.07059	0.5
173.09705	0.5
174.06673	0.4
177.09138	0.7
181.08586	66.0
182.08975	1.0
183.08119	0.5
189.05363	0.6
189.09019	1.0
199.14853	0.5
207.10139	1.2
215.97969	0.4
239.07002	0.8
311.12485	0.6
325.07065	1.7
343.08087	1.6
343.11856	1.4
343.15445	0.6
343.26294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1386
Annotation	Coniferin
Peak:m/z	Relative Intensity
52.32019	0.7
53.03923	0.7
54.06330	0.6
55.01870	1.6
55.05491	1.7
67.05486	2.3
68.06569	0.7
69.03414	1.8
69.07055	1.9
71.57300	0.6
79.05480	5.6
81.03413	1.1
81.07034	2.7
83.04965	0.9
83.08593	1.0
84.32281	0.6
85.02907	3.8
91.05438	3.5
93.07015	2.1
95.04944	2.6
95.08585	2.0
97.02891	1.2
103.05460	6.9
105.07024	16.6
107.04930	5.2
107.08574	2.8
109.02843	1.1
109.06486	1.3
109.10164	1.6
111.08063	0.7
115.05410	1.5
117.06995	1.6
119.08560	2.0
120.05721	1.1
121.06529	1.3
121.10154	1.1
123.04430	1.5
123.08057	0.7
123.11679	0.8
129.06961	1.0
131.04912	3.3
133.06464	3.0
135.04428	2.1
135.08080	2.0
135.11771	0.7
137.05952	1.4
145.06479	0.7
145.10120	1.3
147.08011	0.8
147.11674	0.8
148.05208	1.1
149.05962	2.6
161.05981	1.4
163.07535	100.0
163.11203	2.3
163.14859	0.8
164.07883	1.7
165.09169	1.0
171.08054	0.7
181.08582	66.6
182.08878	1.2
187.24202	0.7
189.09114	1.4
207.10159	1.9
325.07132	2.2
343.08041	2.5
343.11682	1.1
343.15372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50224	7.0
56.96548	12.7
69.03419	18.1
69.72314	29.2
69.72720	17.7
70.06573	14.8
79.05496	12.9
81.03418	12.4
81.07053	17.7
85.02911	34.3
86.09692	12.0
95.04973	13.6
97.02866	11.1
98.20808	13.4
98.97569	12.4
99.04419	8.4
104.03214	6.9
105.07020	66.2
107.04932	31.7
109.06512	11.4
110.06042	20.1
111.04441	7.1
116.98655	13.5
118.83817	7.0
119.04962	7.4
123.04412	13.1
127.03885	6.6
133.06488	100.0
135.04395	7.9
137.05981	70.7
147.04396	24.8
163.03868	16.0
163.07414	10.3
165.05463	19.3
165.09128	35.2
182.11731	10.8
237.02800	12.2
290.18243	6.8
343.13602	85.4
344.13156	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1383
Annotation	Coniferin
Peak:m/z	Relative Intensity
52.54454	0.9
55.14666	1.1
63.50009	1.0
69.03433	1.1
69.50229	9.1
79.05470	2.9
81.07028	1.3
85.02888	1.7
91.05477	1.5
93.06993	1.1
95.04985	2.3
97.67324	1.0
98.20778	2.4
103.05460	7.2
105.07015	13.8
115.05464	1.3
131.04913	3.5
135.04376	1.4
147.95975	1.0
148.05199	1.3
149.05966	1.3
163.07527	100.0
164.07939	3.3
181.08582	58.3
232.30353	1.0
233.72340	1.0
234.36874	1.0
271.06128	1.2
292.34247	1.1
304.77240	1.0
343.15396	1.8
349.03442	1.0
359.67456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0806
Annotation	Dihydromethylsterigmatocystin
Peak:m/z	Relative Intensity
55.01831	0.8
60.37318	0.5
62.79080	0.4
65.19584	0.4
66.36652	0.4
67.05463	1.2
68.99730	0.6
69.03429	2.9
69.07026	0.6
69.38424	1.7
69.38848	2.2
73.44455	0.4
79.05462	0.8
81.03355	0.5
81.07049	0.9
83.04929	0.6
83.47102	0.4
84.96113	0.4
91.05473	2.5
91.37326	0.4
93.07008	0.9
95.01306	0.5
95.04920	0.8
95.08590	0.7
97.06483	0.5
105.06996	1.0
107.04955	0.5
107.08570	0.8
119.08557	0.8
121.02836	0.5
128.06236	0.6
129.06895	0.6
131.04884	0.8
131.08566	0.4
137.05945	0.6
143.08516	0.6
145.06485	0.4
147.04395	0.4
149.02267	1.4
149.05864	0.8
153.06876	0.6
157.06470	1.8
163.03888	2.3
163.07471	1.1
165.06953	0.9
167.03300	0.7
167.08546	0.7
176.06146	0.4
177.06958	0.8
178.07777	2.9
179.08522	2.0
181.06447	0.6
183.04350	0.6
185.05872	0.5
189.05402	0.7
189.06961	1.7
191.03326	3.6
195.08018	0.6
205.06352	2.2
206.07272	0.6
207.02779	0.5
207.08054	0.5
213.05408	1.4
215.03371	2.4
218.07257	0.6
223.07498	1.2
229.04933	2.5
230.20172	0.4
231.02829	0.6
234.06657	1.0
237.05309	0.7
239.06999	1.6
240.43753	0.4
251.07100	0.9
254.05711	1.8
255.06425	0.8
257.04425	4.1
261.05368	1.0
267.06473	1.8
268.07227	1.6
269.08020	4.1
271.05902	0.8
278.05667	0.9
279.06558	2.7
281.08102	1.3
283.05975	7.5
297.07523	1.5
300.06366	0.6
307.06015	6.2
325.07025	100.0
326.07333	1.8
343.08087	96.3
344.08475	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	11.2
60.93034	4.3
69.93847	20.9
98.97582	39.9
116.98613	52.3
134.99667	33.7
153.00739	6.1
156.71158	3.9
174.97638	3.8
177.00925	15.0
179.00809	4.4
192.98689	12.0
194.98495	7.4
201.07269	3.6
205.63361	3.7
216.98763	12.0
218.98503	10.4
219.01999	29.2
221.01738	11.4
232.96796	4.5
234.96431	10.8
234.99821	45.3
235.99939	8.5
236.99498	26.7
242.03456	4.1
252.97435	16.8
258.96594	6.6
258.99973	21.0
261.00018	7.3
261.03073	32.2
271.33914	3.8
276.97595	40.8
277.00989	33.3
278.01013	5.2
279.00821	14.6
280.01013	4.2
283.00015	29.4
284.00174	5.4
284.99634	6.1
294.98740	7.8
300.97495	29.9
301.01053	75.2
301.04330	6.9
302.01172	11.6
303.00943	15.3
318.98618	100.0
319.02066	7.4
319.98978	5.0
336.99786	4.7
342.98654	4.4
343.02200	26.4
344.02173	4.4
360.99374	25.9
361.03314	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87102	28.2
54.14584	26.3
54.70872	23.0
55.05505	68.9
58.97273	24.6
67.05506	53.4
68.32212	23.2
71.58298	36.6
81.07022	45.7
93.07016	68.8
95.08622	48.4
97.10144	35.3
105.43534	24.7
107.08603	53.3
107.69453	28.8
109.10120	24.9
125.09647	70.0
131.08565	25.0
149.05974	86.0
150.06314	41.4
202.76190	23.0
203.01424	25.3
204.92313	26.9
205.12291	42.4
206.12563	100.0
290.30933	27.6
309.76108	29.7
314.76038	26.5
342.37320	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00798	4.3
53.03922	4.8
55.01875	4.3
55.05513	31.3
56.07924	4.1
56.96559	9.6
57.07077	4.5
59.04997	5.4
64.06526	4.1
67.05505	71.7
67.76546	3.8
69.07059	19.5
70.76332	10.5
70.76698	7.8
71.04996	100.0
72.08159	8.7
73.06557	6.9
73.13683	4.4
79.05495	85.7
81.07064	55.0
83.04974	8.1
83.08611	13.0
84.08125	4.3
85.06521	4.9
86.09705	12.3
91.05464	22.2
93.07050	95.7
94.81285	4.8
95.04990	12.6
95.08599	36.0
97.06517	11.3
97.10191	8.4
99.08102	6.9
105.07034	13.9
107.08629	23.1
109.10165	50.0
111.08075	8.3
114.34788	3.6
117.07007	5.1
119.08561	16.4
121.10152	56.3
123.11720	5.1
125.09580	4.8
131.08543	8.8
133.10158	11.2
135.11687	12.0
137.09619	5.7
137.30109	3.7
147.11690	7.2
149.13217	5.9
153.12764	15.2
155.10699	8.6
159.11728	6.8
161.06000	5.8
163.07541	6.5
167.03421	11.7
172.18147	4.3
173.11737	87.8
173.13184	7.6
177.12830	5.8
194.81451	4.1
195.13792	4.8
227.16382	14.3
268.06967	4.8
275.20087	16.0
278.21161	5.4
292.22586	8.0
307.22534	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63655	6.5
55.01859	9.3
55.05507	60.9
64.88341	7.9
67.05491	30.1
69.03410	8.8
69.07059	26.7
70.14560	35.2
79.05495	45.1
81.07053	39.8
83.04972	9.9
83.08611	26.9
91.05458	22.2
93.07039	20.5
95.04941	7.7
95.08597	22.6
97.10174	91.0
105.07018	29.2
107.08591	100.0
119.08602	8.4
125.09644	88.0
133.10085	11.0
135.08063	13.3
145.10080	18.6
147.11699	13.8
153.09111	22.5
203.12758	89.2
275.20160	58.6
289.21582	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.6
55.05510	64.8
60.42461	4.6
67.05497	38.5
69.03425	8.0
69.07064	65.9
69.95004	18.8
69.95419	9.8
78.64421	5.3
79.05496	49.7
81.07055	44.3
83.04967	7.4
83.08607	47.9
86.57446	5.0
91.05460	30.4
93.07038	39.2
95.08582	27.9
97.06521	10.7
97.10161	76.5
105.07051	29.5
107.04945	9.8
107.08588	100.0
109.10155	13.0
111.08065	9.3
114.47221	5.3
117.07011	7.7
119.08569	22.7
121.10122	14.2
125.09623	91.8
125.20776	5.4
131.08553	11.6
133.10103	12.3
135.08022	21.3
145.10110	21.7
147.11668	17.6
149.05960	16.5
149.09564	7.4
150.06360	9.9
153.09122	14.9
159.11783	7.4
165.12767	5.9
189.11307	5.5
203.12761	89.7
203.14522	7.1
205.12279	7.4
206.12617	8.7
229.23618	5.6
239.17848	8.8
257.19070	12.2
275.20053	48.3
289.21695	16.0
295.45724	5.6
307.22791	6.5
364.50150	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.05511	24.0
56.28214	2.2
57.03435	27.5
57.07072	80.3
59.04966	2.5
67.05497	39.9
68.43204	2.1
69.07063	28.5
69.52937	20.2
71.04996	11.7
71.08628	58.6
75.48315	2.4
79.05480	18.0
81.07047	68.2
83.08614	21.2
85.06528	6.0
85.10175	32.6
86.06035	2.1
89.06027	4.4
91.05465	16.1
93.07041	49.9
95.04962	5.1
95.08599	77.1
97.10155	18.2
105.07019	35.2
107.08588	43.7
109.06544	14.4
109.10143	40.6
111.08061	7.7
111.11729	8.1
113.09644	4.0
117.06992	5.9
119.08575	60.2
121.10136	34.8
123.08141	2.8
123.11706	18.5
128.06232	2.8
131.08525	12.5
133.10133	13.8
135.11679	20.8
137.09618	3.5
137.13225	8.0
143.08580	6.6
145.10124	20.7
147.11702	21.5
149.13240	24.8
151.11189	4.9
153.12857	3.0
157.10126	10.7
159.11684	35.8
160.12093	2.4
161.13240	17.9
163.14813	17.7
171.11708	8.0
173.13264	19.3
173.76488	2.5
175.14850	11.2
177.12752	3.0
177.16345	4.5
185.13271	7.8
187.14758	15.7
189.16383	8.8
191.17955	7.9
197.13231	5.9
199.14835	8.7
201.16304	12.7
203.17946	5.6
213.16336	15.6
215.17943	12.3
225.16496	4.6
227.17923	13.9
229.19485	6.5
239.17938	2.9
241.19504	4.4
243.21266	3.1
253.19472	3.8
257.22620	3.5
267.21106	6.4
267.26523	3.4
281.22568	4.7
283.24213	37.8
285.27890	7.2
323.27277	36.2
341.31003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2322
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
50.53930	6.8
55.01873	60.6
55.05507	11.6
56.23774	5.8
56.42719	6.8
67.05513	36.3
69.07072	100.0
70.41902	29.8
71.05017	9.7
73.56879	6.1
79.05502	20.8
81.07074	33.3
83.04994	11.5
83.33924	7.1
91.05494	23.6
92.11348	6.9
93.07043	38.5
95.04981	27.2
95.08609	25.3
97.06528	64.9
97.10210	6.8
99.04375	8.7
102.83728	8.0
105.07034	29.2
107.04973	37.9
107.08588	22.2
109.06519	17.1
109.10172	28.2
111.04427	9.8
117.07020	9.3
119.08602	17.2
121.06531	16.6
121.10139	9.8
123.04420	15.1
125.09665	17.8
129.07053	8.5
131.08549	8.9
133.10135	18.6
137.06007	8.2
137.09654	20.1
145.10158	6.8
147.08124	7.1
149.02350	31.9
149.09602	12.9
153.09070	9.4
157.10172	10.0
159.11693	15.4
161.05948	10.2
163.07542	22.3
167.14395	7.1
169.12267	7.9
173.11742	30.2
173.13091	7.3
175.07588	8.7
179.10796	7.6
197.05994	15.9
199.07466	8.3
201.05524	7.7
205.08548	10.7
213.05550	11.2
225.05493	15.0
239.07051	8.3
249.14824	9.2
255.06541	8.5
257.04501	11.4
273.18710	17.1
280.07251	9.6
285.04010	8.1
285.07501	11.9
285.10562	10.3
291.19476	43.5
295.09677	15.0
308.06784	16.7
323.09134	29.3
341.10013	19.1
341.13867	37.3
341.17502	14.7
341.21448	9.0
341.28595	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29565	1.4
52.59402	1.5
53.03921	2.5
55.01843	2.0
55.05511	12.1
57.03435	1.6
57.07054	4.6
65.36742	1.4
67.05501	17.5
69.03411	5.3
69.07050	6.4
69.69061	10.5
71.04980	3.0
71.08632	12.6
79.05488	15.8
81.03419	2.1
81.07051	19.5
83.04965	5.0
83.08614	1.9
85.02885	1.8
85.06512	1.6
91.05463	12.4
93.07034	23.3
95.01360	1.4
95.04961	7.0
95.08604	17.5
96.05731	3.3
96.18149	1.5
97.02885	13.9
97.06518	6.6
99.08064	5.8
103.05473	1.5
105.07040	8.0
107.08578	6.7
109.06507	7.0
109.10123	5.5
111.04425	16.7
111.08064	1.7
113.05982	4.3
115.05410	1.8
117.06974	3.0
119.07811	1.4
119.08572	7.6
121.06494	13.1
121.10141	13.6
123.04418	6.1
123.08060	5.1
123.11753	2.0
124.05217	4.3
125.05975	3.2
129.06953	4.4
131.08572	15.5
133.06407	2.4
133.10056	2.8
135.08034	2.7
135.11644	2.3
137.05948	3.2
137.09599	2.9
143.08546	2.6
147.08012	2.6
149.02356	2.2
149.09604	12.5
157.10176	3.1
161.09581	2.5
161.13226	3.0
163.11162	3.5
165.12762	9.6
167.03418	3.3
167.10680	4.7
171.11659	3.8
179.14229	1.7
181.12224	100.0
182.12605	2.8
185.13220	1.7
193.12047	1.7
205.08485	3.2
207.13713	2.6
213.12581	1.6
253.14384	2.0
259.49173	1.7
267.06567	2.1
277.22086	1.6
305.21130	8.0
306.21689	2.0
307.22708	2.9
316.34326	1.5
323.22107	2.3
341.24634	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20477	6.8
51.34929	7.0
55.05504	19.1
57.07075	16.1
61.01140	10.9
67.05496	77.6
69.07069	27.4
79.05479	27.8
81.07061	46.8
83.01476	7.9
83.04986	8.9
83.08644	8.3
87.02686	13.4
91.04983	7.3
91.05434	44.6
93.07025	47.1
95.04939	15.7
95.08597	70.5
97.10197	10.7
101.13192	7.5
102.43379	7.4
105.07056	28.4
107.04957	9.7
107.08610	29.2
108.44715	7.6
109.10141	50.7
117.07050	9.0
119.04944	15.5
119.08546	34.3
121.10136	22.7
123.08081	6.9
123.11805	8.7
131.08574	16.9
133.10114	19.9
135.08073	11.9
137.09607	35.0
144.23589	7.3
145.10124	11.0
149.05957	90.4
149.09607	11.3
157.10220	7.4
163.14885	7.9
170.49930	7.3
185.09906	12.3
203.10899	11.7
205.12230	100.0
232.52625	7.2
257.18878	16.1
275.20016	39.3
323.20367	30.0
341.21255	8.0
341.30707	10.1
342.36789	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	26.1
55.01846	16.6
55.05505	37.9
56.96556	15.1
57.03437	27.3
60.77528	8.0
65.84149	8.0
66.04678	8.0
67.05503	76.4
68.93553	8.5
69.03413	16.4
69.07066	18.2
71.04975	16.9
71.57568	11.5
71.57992	14.7
79.05491	49.9
81.03412	92.5
81.07053	57.2
83.04996	16.8
84.24146	8.8
91.05426	55.7
93.07036	62.2
95.04971	33.8
95.08606	56.6
97.02897	11.2
97.06500	16.8
100.11222	9.8
103.05471	12.8
105.07055	61.0
107.04925	44.5
107.08589	28.3
109.06508	34.7
109.10146	19.1
111.04401	10.3
117.07010	15.3
118.70897	9.8
119.04942	15.0
119.08590	39.9
121.02837	12.0
121.06506	16.4
121.10140	28.4
123.04418	33.6
123.08086	10.3
128.06258	11.6
129.07007	17.4
131.08563	23.9
133.06500	31.5
133.10136	12.7
135.04413	13.2
135.08066	24.3
136.31218	9.6
137.02330	12.7
137.05963	25.1
137.09648	13.1
137.78493	9.2
143.08582	23.0
145.10114	14.6
147.04359	17.7
147.08060	31.7
147.11745	12.5
149.02354	14.7
149.05995	26.2
149.09601	20.4
157.06528	9.9
157.10103	12.7
159.07994	12.5
159.11674	11.9
161.05940	22.5
162.02745	9.8
163.07567	10.3
165.09125	11.0
167.03383	49.5
167.10666	11.7
169.10005	9.8
175.07587	12.8
185.06033	10.5
185.09631	9.9
185.13202	14.9
187.11250	9.8
189.09119	9.7
191.10716	14.2
203.07011	100.0
203.10568	10.2
204.07405	79.7
205.07491	60.4
205.12225	19.5
231.13733	15.3
249.14844	50.1
267.06573	10.1
267.15891	81.4
289.18237	11.4
323.12689	34.4
341.09964	20.7
341.13565	24.4
341.17606	24.2
341.21228	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90608	0.4
53.53199	0.5
58.36586	0.5
69.07069	1.4
70.20667	1.2
70.21062	1.2
73.33778	0.5
83.36748	0.6
85.76203	0.5
91.05476	10.9
91.06026	1.1
93.07043	0.6
95.08600	0.6
105.07011	1.1
106.04198	0.6
111.06028	0.5
119.04939	17.5
119.08489	0.5
121.06459	0.7
123.04420	1.1
149.05975	100.0
150.06345	2.5
163.07501	0.7
173.09610	1.2
175.07544	2.2
205.12234	89.8
206.12596	2.9
285.11090	1.3
341.17462	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	26.7
55.01859	20.5
55.05503	30.5
57.03430	16.4
57.37433	6.3
60.11061	6.4
60.43399	5.9
62.33306	6.0
67.05508	70.3
67.11936	6.1
68.99803	6.5
69.03430	16.2
69.07056	44.8
71.04996	10.4
71.57799	10.3
79.05492	61.6
81.03418	90.3
81.07070	53.5
83.01353	10.4
83.04976	16.8
83.08612	17.4
85.02911	8.3
85.06551	7.5
91.05446	65.9
93.07063	54.9
95.04969	36.2
95.08603	66.6
97.02885	16.5
97.06534	15.4
99.08112	7.7
100.11248	20.8
103.05490	10.6
105.07040	43.5
107.04970	48.7
107.08576	17.2
109.06503	19.3
109.10165	20.1
115.05443	11.1
117.07062	15.6
119.04922	14.8
119.08555	43.1
121.02861	8.7
121.06494	28.9
121.10130	19.5
123.04439	56.5
123.05175	8.6
123.08038	17.6
125.05990	10.3
129.07005	12.3
131.04904	10.6
131.08536	17.7
133.06479	34.8
133.10141	14.4
135.08032	26.6
137.05986	26.9
137.09627	20.6
143.08556	16.0
143.94661	7.1
145.06476	10.1
145.10139	20.4
146.34262	7.2
147.08070	23.8
147.11760	7.8
149.05984	100.0
149.09567	14.2
151.07532	17.8
157.06465	10.5
159.08127	8.6
163.07512	20.2
165.09029	8.5
173.09685	12.0
175.07545	7.1
180.10635	6.8
183.08060	9.5
185.09702	7.7
185.11569	7.1
185.13342	10.9
197.05943	11.6
205.12233	94.9
208.08253	7.6
210.60823	8.7
211.07483	7.6
214.06267	10.8
217.12326	7.9
229.08662	15.0
231.13773	20.9
249.14862	35.2
257.08054	10.6
267.15891	99.3
270.05280	15.6
273.94806	7.0
285.07574	25.6
287.16434	15.9
289.17957	9.3
305.17505	19.8
323.09265	13.9
323.18607	11.4
341.13831	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03913	1.4
55.01859	2.1
55.03440	0.9
57.02754	1.2
67.05481	2.5
67.96522	1.1
69.07068	3.0
70.01041	5.6
72.08172	1.8
72.15841	1.2
73.37238	1.0
77.31984	1.2
79.05495	4.1
81.07043	3.7
91.05437	6.4
93.07018	2.9
94.04173	3.9
95.04929	2.4
95.08593	2.4
96.31588	1.3
97.06515	1.3
103.05459	2.3
104.06270	1.4
104.93328	1.3
105.07032	5.9
107.04942	4.3
107.08593	1.2
109.06496	3.8
109.10184	2.0
115.05458	4.5
116.69906	1.2
117.07041	3.8
119.08585	6.3
121.06508	1.1
122.03651	9.2
123.04445	2.2
124.94307	1.2
128.06219	3.9
129.07037	5.8
130.06509	9.6
131.04906	4.2
132.05692	4.2
133.02843	2.0
133.06456	3.3
133.10045	1.3
137.05971	100.0
141.06990	1.5
144.05661	2.2
145.06461	2.6
147.04401	3.5
147.08009	5.0
149.05989	2.8
151.07491	2.1
157.06479	2.0
159.04446	2.1
159.08067	4.3
160.05209	4.8
161.05943	10.2
163.03856	2.1
163.07639	1.1
167.07068	3.6
171.08043	2.0
175.07533	39.8
176.07997	1.3
177.05547	1.8
177.09081	3.1
179.07057	1.6
184.05116	1.4
185.06026	1.4
187.03870	2.3
187.07542	12.9
189.09100	3.6
190.07852	3.4
191.07091	1.2
191.08507	6.3
195.00958	1.2
199.07526	5.2
202.07809	3.8
203.08549	6.8
205.06427	1.3
211.07634	1.9
217.08691	2.0
218.07242	1.8
219.08113	10.3
220.08807	3.3
221.09514	2.1
231.08038	6.9
235.07486	2.4
236.08362	1.7
239.06924	1.6
247.07584	4.8
248.08270	5.9
249.09023	2.7
251.10701	8.3
259.07590	3.5
263.10699	3.3
265.08517	1.8
268.06891	1.4
269.13037	1.4
270.08856	1.2
271.09586	2.9
276.07870	2.7
277.08603	3.9
279.10013	7.7
280.11133	1.4
281.08292	1.2
281.11688	5.3
283.09668	1.8
291.10120	9.4
292.10800	3.8
293.08252	1.4
296.10379	2.2
308.10413	2.2
309.11288	3.3
311.12869	6.8
323.09317	1.6
323.12659	7.2
341.06778	1.2
341.10272	2.3
341.13907	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Brosimacutin D
Peak:m/z	Relative Intensity
51.56903	0.9
53.03928	1.6
53.14745	1.0
53.50489	1.0
55.01871	2.1
55.05508	2.5
57.03433	1.5
57.07053	1.1
59.04965	1.1
65.03942	2.7
67.05486	4.3
69.03415	2.4
69.07048	4.2
70.04177	1.3
71.57945	1.9
75.95087	1.0
79.05489	3.9
81.03403	4.6
81.07062	6.1
83.04955	1.2
83.08595	1.3
89.61417	1.1
91.05427	8.1
93.03375	3.0
93.07030	4.1
95.04944	3.3
95.08586	4.2
100.11220	1.3
105.07012	3.9
107.04932	6.2
107.08614	2.3
109.06527	2.1
109.10139	1.4
117.07015	2.2
119.04937	14.2
119.08589	4.2
121.02845	2.3
121.06496	1.4
121.10172	1.6
123.04440	15.1
123.08062	1.8
128.06221	1.3
129.06987	2.5
131.01247	2.0
131.08583	1.8
133.02728	1.4
133.06516	2.1
135.08003	2.2
135.11700	1.3
137.02322	3.7
137.05972	3.2
141.06978	1.7
145.06485	1.3
145.10112	1.3
147.04391	35.1
147.08022	6.0
149.02316	16.7
149.05949	3.8
151.03879	3.0
157.06551	1.6
157.10117	2.1
159.11745	1.1
161.02348	7.0
161.05931	4.0
163.03902	9.3
163.07558	1.9
165.01907	1.3
167.03395	60.4
169.06482	6.6
171.08066	1.5
171.11621	1.4
173.09529	1.6
175.03897	2.8
175.07539	3.9
177.05527	1.6
179.03406	8.0
184.08789	1.1
185.05989	3.0
187.07536	2.3
189.08986	1.7
190.06291	1.5
195.08018	1.1
197.05922	12.1
203.07021	30.4
205.08554	2.7
211.07542	2.7
221.08104	11.7
223.07515	1.8
239.07079	2.7
251.07051	4.5
257.04468	1.7
263.07159	1.4
264.10208	1.3
267.06454	3.9
267.15707	1.8
269.08093	10.3
281.08047	2.3
285.07599	8.4
295.13284	2.0
297.11337	1.7
305.11719	1.3
323.12787	6.6
323.16235	1.6
341.13806	100.0
342.14270	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	CHEBI:67434
Peak:m/z	Relative Intensity
53.03932	0.9
55.01872	0.9
55.05499	1.3
57.03435	0.5
67.05485	0.9
69.07047	0.8
70.16925	1.6
79.05492	4.4
81.07030	2.4
83.04964	0.3
83.08601	0.7
91.05460	2.4
92.06261	0.4
93.07048	0.9
95.04966	1.7
95.08598	2.0
95.09119	0.3
97.10141	0.6
103.05463	5.4
105.07027	13.7
107.04930	1.2
107.08595	1.5
109.06506	1.0
109.10129	1.1
111.08062	0.5
115.05449	1.2
117.07025	0.6
119.04927	0.7
120.05705	0.8
121.06511	0.8
121.10160	0.6
123.04412	0.8
123.08040	0.7
123.11670	0.8
125.09623	0.7
128.06218	0.5
129.06985	1.4
131.04936	1.8
131.08528	0.9
133.06479	2.6
133.07385	0.5
135.04379	1.0
135.08028	1.4
137.05981	2.6
141.07011	0.7
142.07877	0.3
144.05751	0.4
145.06454	1.0
145.10049	0.4
147.04402	0.8
147.08006	0.4
147.11560	0.4
148.05185	0.9
149.02386	0.4
149.05966	1.3
149.09723	0.4
149.13300	0.5
151.07523	0.4
157.06506	0.5
158.07283	0.4
159.08095	1.1
161.05951	0.8
163.07532	100.0
164.07896	3.0
165.05489	1.8
167.03380	1.4
174.06735	0.8
175.07544	0.9
177.09088	1.3
181.08600	1.4
181.10011	0.3
187.07581	0.6
189.09109	5.6
189.10855	0.6
198.10974	0.3
201.43256	0.3
205.08661	0.4
221.08041	0.7
227.12709	0.7
232.10480	0.4
252.81285	0.4
263.10794	0.4
269.08047	0.7
270.75882	0.4
272.12115	0.3
272.44043	0.3
281.11914	0.5
287.16351	0.4
291.10281	0.5
299.84460	0.4
309.10928	0.6
309.71057	0.3
323.12686	1.9
341.10101	0.4
341.13794	9.8
341.20630	0.6
341.24890	0.5
342.14157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.8
60.94103	2.3
67.05499	3.9
69.07052	4.1
71.57990	4.4
79.05508	5.3
81.07050	6.8
82.06580	2.3
83.04980	2.8
83.08611	5.9
85.02899	2.3
85.06554	4.0
88.63157	2.4
91.05490	7.0
93.07032	4.0
94.04176	3.3
95.04969	3.2
95.08592	5.7
95.14884	1.9
97.06554	2.6
100.11269	25.6
101.11587	4.3
103.05498	5.2
105.07045	9.7
107.04973	8.7
107.08618	2.5
109.10168	3.6
111.04434	2.9
115.05487	6.7
117.07018	3.8
119.08576	7.7
121.06496	2.9
122.03651	10.9
123.04392	3.5
126.09225	2.0
128.06219	5.9
129.06999	9.0
131.04887	2.8
131.08601	4.1
132.05708	6.8
133.06509	6.8
137.05977	100.0
145.06496	5.0
146.07295	3.0
147.04335	3.0
147.08064	6.5
149.06018	2.6
151.07536	2.5
157.06509	3.1
159.08081	4.5
160.05217	2.9
161.05981	13.9
163.03978	2.7
165.05504	2.5
166.08714	2.3
167.07077	7.5
172.05190	2.9
174.06897	2.2
175.07547	47.1
177.09146	3.8
178.07805	3.2
182.15370	6.0
183.15685	3.7
187.07530	19.4
189.07008	2.4
189.09201	5.2
190.07689	2.8
191.08583	9.7
199.07561	8.8
200.81564	2.2
202.07863	8.2
203.08586	10.7
206.07329	3.0
210.14857	6.0
211.15231	4.5
213.17850	4.0
217.08618	3.8
219.08105	12.4
220.08734	2.9
221.09540	4.5
227.17567	5.2
227.67754	4.7
231.08002	8.1
234.06752	4.9
237.09137	3.0
247.07619	3.2
248.08369	9.2
249.09074	6.6
251.06956	3.8
251.10719	10.8
259.07526	4.8
263.10745	5.1
265.08386	2.4
271.09692	3.0
276.07791	3.4
277.08621	9.0
277.22961	3.5
279.06815	2.2
279.10144	8.5
280.10757	2.3
281.11725	14.1
283.09518	3.4
291.09988	12.4
292.11090	3.2
293.08047	2.7
308.10519	2.6
309.11130	9.5
310.11325	2.7
311.12802	5.2
323.12695	6.2
341.13675	15.2
343.30817	5.9
344.30902	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	5'-Prenyllicodione
Peak:m/z	Relative Intensity
51.45359	1.2
61.17840	1.2
65.03926	4.1
70.11248	4.3
70.60672	1.1
71.36835	0.9
72.57734	1.1
90.55493	1.0
93.03410	1.7
112.89436	1.1
121.02855	4.0
124.79059	1.1
127.87521	1.0
131.01277	4.6
141.07050	1.1
148.66481	1.1
149.02336	55.3
167.03401	83.2
205.08597	100.0
206.08948	1.5
208.02281	1.3
211.07532	3.2
213.05466	4.2
214.15706	1.3
239.07002	2.8
267.06516	85.1
268.06824	2.1
285.07544	6.0
323.12640	4.9
341.13742	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Moracin T
Peak:m/z	Relative Intensity
55.01875	0.9
55.05519	1.1
63.99350	1.0
67.05508	2.1
68.99786	2.1
69.07067	32.3
70.15710	3.7
72.40465	0.7
79.05471	2.6
81.07069	2.2
91.05457	1.9
93.07040	2.1
95.04971	1.6
95.08559	1.3
97.06512	1.0
105.07027	1.6
107.04985	1.1
107.08605	1.3
115.05429	1.6
117.07009	0.9
119.08469	0.9
121.02846	2.7
121.06489	1.3
127.03957	1.1
129.06999	1.6
133.02866	1.0
135.04434	2.2
137.02319	4.5
137.05989	1.6
141.06982	2.9
143.08546	1.0
145.06534	0.8
149.02325	1.2
149.05940	2.2
151.04050	0.8
153.06927	0.9
155.08463	0.9
157.06483	1.4
161.05949	1.0
169.05310	1.2
169.06508	8.2
173.05931	1.8
175.07518	0.8
181.06464	1.3
183.08086	1.1
185.05965	3.2
186.06787	1.6
187.07579	3.1
189.09050	1.1
191.10695	3.1
195.08234	1.0
197.05991	24.1
198.06769	6.1
199.07518	1.1
200.04694	3.6
201.05540	1.8
205.08571	1.0
211.07579	2.2
213.05484	8.9
213.09103	0.9
214.06259	6.9
215.07025	5.4
225.05458	34.5
226.06206	7.2
227.07040	3.2
228.04242	1.8
229.04903	4.4
229.08623	1.9
239.07054	4.2
240.04211	1.3
241.05040	2.0
242.05692	6.1
243.06514	11.9
251.07129	1.4
253.04948	9.4
253.07477	1.0
253.08749	0.9
254.05705	9.0
255.06497	16.5
257.04465	21.0
257.08099	7.0
263.10687	2.1
267.06577	1.5
269.04590	1.5
270.05212	23.2
271.05927	5.0
272.06787	7.5
273.07623	4.8
281.11719	12.5
285.07571	48.5
299.11713	1.0
310.11826	4.9
310.20630	1.0
313.14200	5.5
326.11435	2.6
341.13834	100.0
342.14169	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Moracin T
Peak:m/z	Relative Intensity
55.05495	1.2
55.25995	0.4
61.12968	0.5
65.03936	2.9
67.05497	0.8
69.07082	0.6
69.27439	4.2
69.27862	1.2
71.08651	0.5
79.05488	1.0
81.07040	0.9
83.04956	0.6
91.05466	0.7
93.03381	1.7
93.07020	0.8
95.04959	0.9
95.08571	0.8
105.07011	0.6
107.08588	0.5
111.04430	0.9
119.08582	0.6
121.02858	2.3
121.10144	0.6
131.01266	3.2
131.08524	0.7
133.55624	0.5
137.05952	0.8
145.10132	0.5
149.02325	29.0
157.10121	0.7
167.03394	100.0
168.03712	1.1
181.12215	2.0
205.08603	5.2
267.06534	3.2
285.07553	38.2
286.07925	0.7
341.13840	14.5
341.17749	0.6
341.24731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	5'-Prenyllicodione
Peak:m/z	Relative Intensity
56.96561	1.0
57.51141	0.7
60.70575	0.7
65.03944	4.1
67.05489	0.9
69.07063	14.0
69.24120	8.0
69.24539	1.4
78.53855	0.8
79.05494	1.5
81.07022	1.5
91.05442	4.0
93.03387	2.0
93.07034	1.2
93.23839	0.8
95.04951	1.3
95.08581	1.3
105.06288	0.9
105.06985	1.6
107.04943	1.1
109.06507	0.8
119.04940	3.2
121.02842	3.3
123.04408	1.2
129.07004	0.9
130.14825	0.8
131.01305	4.0
135.08069	1.1
137.06004	1.5
141.06963	1.1
149.02333	35.4
149.05969	22.6
161.05894	0.9
163.07527	6.4
165.07033	1.0
167.03389	100.0
168.03798	1.2
175.07536	3.6
177.08994	0.8
179.03423	0.9
181.08600	1.7
197.06126	1.0
205.08589	87.6
205.12154	19.9
206.08923	2.1
211.07611	2.9
213.05479	2.7
229.04849	1.0
231.13803	1.4
239.06932	1.7
241.05005	0.9
242.95824	0.8
245.08160	1.6
253.04878	1.2
253.79730	0.8
267.06497	61.9
268.06873	1.6
272.06750	2.2
273.07556	3.7
285.07596	5.7
285.11188	2.2
323.12802	2.1
341.13705	1.9
341.17639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Crotin (chalcone)
Peak:m/z	Relative Intensity
55.01856	2.5
55.05496	1.6
57.03432	0.6
57.07074	0.6
63.38392	0.5
65.03922	1.8
67.05491	1.8
69.03779	0.5
69.06791	0.4
69.07069	5.3
69.24335	0.8
69.24734	5.5
69.96085	0.6
71.04969	0.7
79.05476	2.4
81.03413	0.8
81.07043	2.9
88.97131	0.6
91.05451	6.5
93.03379	0.7
93.07032	1.9
95.01315	2.0
95.04946	1.8
95.08609	1.3
97.06515	2.0
98.20624	0.6
100.11246	1.7
101.11566	0.6
105.03375	1.2
105.07013	2.2
107.04939	2.3
107.08580	0.8
109.06502	2.8
109.10138	0.8
111.04390	0.6
115.05448	0.6
117.06999	1.3
119.04929	4.3
119.08580	3.7
121.02837	1.8
123.00768	1.1
123.04372	0.8
125.09602	1.2
128.06226	1.2
129.06989	4.5
131.01291	1.6
131.08566	1.2
133.02855	1.3
133.06477	1.1
135.04428	0.9
135.08049	1.1
137.02299	1.7
137.06009	0.9
137.09627	0.9
143.08551	1.0
144.05707	0.9
145.06491	0.6
145.10136	0.6
147.04391	9.2
147.08037	6.6
147.11679	0.7
149.02344	11.9
149.06015	0.7
151.03896	3.4
157.06467	1.4
157.10074	0.8
160.05252	0.8
161.02348	15.6
161.05956	6.5
163.03873	2.7
163.07541	0.9
167.03394	32.1
175.03862	3.2
175.07544	3.7
179.03389	1.0
185.05957	5.7
191.10556	0.6
203.07021	100.0
204.07367	2.4
205.08588	0.8
207.07683	0.6
221.05943	0.8
221.08084	12.5
255.06514	0.8
255.10178	0.6
257.04355	0.6
269.08075	6.0
280.07437	1.0
280.77600	0.5
281.07986	1.4
281.11353	0.6
285.03763	0.8
285.10263	0.7
291.19574	1.5
295.09573	1.0
308.06833	1.5
310.22766	0.6
323.09174	3.0
323.12738	31.9
324.13098	1.4
341.10040	1.3
341.13806	3.1
341.20990	0.8
341.28464	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01862	6.1
55.05497	1.7
59.04974	2.0
64.71677	1.5
67.05492	3.3
69.03403	3.2
69.07057	1.9
69.46148	4.8
69.46573	8.1
70.06571	3.2
71.04971	2.7
72.08139	2.1
78.04691	3.2
79.05483	18.1
81.03394	3.5
81.07033	6.3
83.04988	1.9
84.08094	2.5
85.06496	1.7
91.05450	16.0
93.07048	3.7
94.04135	1.8
95.04966	9.9
95.08601	1.9
97.02857	1.7
103.05478	7.4
105.03376	3.1
105.07028	23.3
106.04129	1.6
107.04952	30.1
107.08606	2.0
109.06503	3.9
109.10151	2.2
111.04428	1.9
111.08060	2.8
115.05459	9.6
116.06216	4.4
117.06971	3.2
118.04140	2.4
119.04953	2.7
119.08534	2.2
121.06465	2.9
122.03619	3.9
123.04414	7.9
124.05198	6.3
124.07609	1.8
125.05985	3.7
127.05497	1.8
128.06227	15.2
129.07001	60.3
131.04955	9.8
131.08565	6.6
133.02820	3.0
133.06480	16.6
133.10191	1.5
133.31116	1.4
134.03618	1.8
135.04416	6.2
137.02240	2.4
137.05986	23.7
137.09529	1.4
140.18532	1.3
141.06950	3.5
144.05721	14.9
145.06526	7.2
147.04393	3.9
147.08022	3.2
149.02271	1.6
149.05942	4.3
151.03897	4.0
151.07527	3.2
152.04712	3.2
152.06123	2.8
153.05446	8.7
154.08620	2.4
155.04903	12.1
155.05994	3.4
155.08858	1.7
156.05696	4.1
157.06448	2.6
159.08054	33.7
160.05141	1.8
161.05969	29.6
161.09607	4.4
163.03876	10.1
163.07487	2.5
165.07008	3.9
167.07045	65.4
168.07439	2.0
169.06474	3.9
172.05180	6.7
173.05975	2.5
173.09872	2.1
175.07555	9.9
177.05444	2.5
177.06946	1.6
177.09186	1.7
178.07748	17.6
179.03398	3.2
179.07034	3.5
179.08568	4.1
181.06453	1.8
181.08624	2.0
182.07184	1.8
187.07538	100.0
188.07829	1.8
189.07011	11.4
189.08899	9.9
190.07664	7.3
191.06993	2.8
191.08527	10.6
193.10135	7.0
195.08063	6.4
197.05991	2.6
199.07484	2.0
201.09070	3.7
202.07756	13.5
203.08539	17.2
204.09067	1.5
205.06483	12.8
206.07274	25.1
207.07996	7.3
209.09387	1.7
211.07524	2.8
213.05676	2.0
217.06500	7.6
217.08472	2.6
218.07268	8.9
219.08052	17.2
220.05278	1.8
220.08791	6.4
221.06152	3.5
221.09599	31.9
222.67543	1.4
223.07567	11.0
231.08012	14.2
232.08688	2.1
233.05963	6.1
234.06757	29.1
235.07532	14.5
236.04558	1.6
236.08313	2.8
237.09105	8.0
238.09808	4.4
239.07022	2.4
245.05994	4.1
247.07570	11.2
248.08336	11.1
248.85429	1.5
249.06442	2.3
249.09079	47.3
249.11526	3.2
250.06165	1.9
250.09709	7.6
251.07010	21.6
251.10876	1.9
252.07614	2.2
253.12216	3.8
259.07465	3.7
262.06232	4.9
263.06976	5.3
263.10651	5.9
265.08496	10.3
266.09363	15.2
267.06506	3.1
267.10147	4.0
268.07272	2.1
271.09814	2.0
276.07806	4.5
277.08521	25.5
278.09219	3.9
279.06497	7.3
279.10086	5.2
280.07025	2.1
280.10785	3.1
281.11713	78.2
282.11990	2.0
283.05991	1.7
283.09625	3.6
291.10095	9.6
293.07950	5.4
294.08862	13.8
295.06412	2.9
295.09665	9.2
296.06693	2.0
296.10162	1.6
297.11191	3.3
308.10352	1.8
309.11182	76.6
310.11862	11.0
311.09103	12.6
311.12527	3.5
313.14233	1.9
323.05701	1.9
323.09186	4.0
323.12772	4.4
325.10764	2.0
326.11520	7.1
341.06552	3.0
341.10587	2.4
341.13818	58.7
341.21631	2.1
342.14337	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Crotin (chalcone)
Peak:m/z	Relative Intensity
55.05494	1.5
55.11261	0.6
57.03421	1.3
67.05485	1.7
69.07052	2.4
69.95726	2.6
69.96139	1.5
79.05483	1.8
81.07043	2.8
91.05463	5.9
93.03429	0.7
93.07037	1.1
95.01308	1.2
95.08543	0.8
98.20841	1.2
105.03383	2.0
105.07029	1.0
107.04942	1.0
107.08578	1.2
109.06465	1.0
115.05467	0.7
117.07054	1.3
119.04951	3.6
119.08558	4.3
121.02866	0.8
128.06232	1.2
129.06964	3.4
130.58473	0.7
131.01300	1.2
131.08522	1.2
133.02869	1.6
135.04453	0.9
135.08069	0.9
137.02368	1.3
137.06003	0.9
145.06430	0.9
145.56232	0.7
145.60498	0.8
147.04408	8.8
147.08018	7.0
149.01280	0.4
149.02353	11.1
151.03864	2.7
157.06509	1.5
160.05254	1.0
161.02338	15.4
161.05977	5.2
163.03867	2.5
167.03397	31.6
173.11682	0.7
175.03912	2.3
175.07568	3.8
179.03468	0.9
185.05984	6.5
188.04648	0.7
203.07024	100.0
204.07445	2.2
221.08096	12.0
259.21619	0.9
269.08005	5.4
270.00482	0.7
281.08032	1.6
307.50089	0.7
323.12750	34.6
324.13251	1.1
341.10297	0.8
341.13876	2.2
341.28586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01869	4.5
55.05507	3.9
66.04680	2.4
67.05512	5.3
69.03432	4.2
69.07032	2.5
69.93309	7.1
78.04697	3.1
79.05486	18.9
81.07038	10.5
83.04985	4.3
85.02847	2.0
85.06538	2.3
86.09688	5.0
89.28954	2.4
91.05444	11.0
93.07052	4.4
95.04976	11.0
95.08595	9.6
98.21458	2.7
99.08115	3.2
103.05447	5.2
105.07018	20.3
107.04944	26.5
107.08564	3.1
108.55655	2.1
109.06553	4.2
109.10140	4.3
111.04325	2.3
115.05459	9.4
116.06229	4.3
117.07007	2.5
119.04942	3.3
119.08530	2.8
121.06539	3.3
122.03640	2.7
123.04435	9.2
123.08031	5.7
123.11686	2.2
124.05157	4.1
125.05985	4.3
128.06201	15.6
129.07005	58.3
131.04922	8.0
131.08562	7.6
133.02888	2.8
133.06493	14.9
133.10133	2.3
135.04370	4.1
137.05984	21.2
140.04625	2.3
141.06947	3.5
144.05713	14.2
145.06465	10.2
147.08002	2.4
149.05994	2.6
151.03934	3.2
151.07545	2.5
152.04660	2.8
153.05482	9.2
155.04953	16.7
155.07036	2.5
156.05695	4.7
159.08038	28.6
159.11591	2.0
160.05186	2.3
161.05971	29.2
161.09642	3.8
163.03946	5.1
165.06992	4.8
167.07050	63.5
169.06496	4.4
172.05162	6.6
175.07582	10.9
178.07770	15.4
179.07187	4.4
179.08548	5.2
181.06549	3.9
187.03951	3.4
187.07542	100.0
189.07036	9.6
189.09013	4.6
190.07750	6.5
191.07024	3.0
191.08498	10.4
192.09222	2.2
193.10106	5.8
195.08025	5.1
196.76535	2.0
201.09196	2.9
202.07753	16.3
203.08598	16.3
205.06480	9.1
206.07239	25.6
207.07967	6.6
217.06490	6.5
217.08551	2.6
218.07190	5.4
219.08028	16.9
220.08842	8.4
221.06042	5.8
221.09624	29.3
223.07518	9.2
231.08090	13.9
233.06004	3.4
234.06729	27.1
235.07539	12.7
236.08189	2.4
237.09119	3.8
239.07169	2.7
245.05988	4.6
247.07513	8.6
248.08301	9.3
249.09114	53.2
250.09816	5.6
251.07065	20.2
251.10455	2.4
253.12076	2.7
259.07651	4.3
261.05640	2.3
261.09015	3.1
262.06262	4.7
263.07022	5.7
263.10623	6.1
264.07501	2.3
265.08627	8.7
266.09415	15.6
267.09998	3.4
276.07834	5.5
277.08572	27.1
278.09262	5.0
279.06555	12.9
279.09930	4.6
280.06979	2.6
280.11020	3.5
281.08521	3.8
281.11707	76.3
283.09732	3.1
291.10208	7.2
293.08136	7.1
294.08746	15.7
295.09760	7.0
308.10373	3.5
309.11185	86.5
309.14731	4.5
310.11887	10.2
311.09134	11.5
313.11319	2.6
313.14719	3.2
323.09149	18.1
323.12558	3.4
326.11560	10.2
341.06836	2.6
341.10315	3.4
341.13803	65.7
342.06180	5.0
342.14273	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01873	2.8
57.03438	2.6
61.02917	0.8
63.02348	0.5
67.05485	0.8
68.99757	1.5
69.03424	14.3
69.93494	2.4
69.93877	1.1
70.06559	1.5
70.43663	0.5
71.01336	0.8
71.04995	4.9
73.02913	1.0
77.03900	0.6
79.05480	1.6
80.12112	0.5
81.03417	18.5
83.04980	0.7
84.08150	1.0
85.02891	1.0
86.09711	1.1
89.03915	3.9
91.05807	0.7
93.07005	1.1
94.76434	0.5
95.04993	2.4
97.02885	0.8
99.04452	5.0
105.03357	1.5
105.07022	0.8
107.04938	2.3
108.08065	0.7
109.02872	1.3
110.06017	0.5
110.07100	0.7
111.04403	0.9
117.03355	2.6
117.05502	0.7
121.02881	0.6
123.04422	5.4
127.03822	0.6
129.00743	0.5
131.04961	0.7
133.02875	7.4
133.07581	5.8
133.09932	0.5
134.03625	1.3
134.06000	2.3
135.04419	6.9
135.08147	0.7
135.09131	1.1
137.02310	0.7
137.05981	3.5
139.03833	0.6
145.02826	2.3
146.03571	0.9
147.04378	0.9
149.02391	0.8
151.03886	2.8
153.05338	0.5
155.78291	0.5
160.07622	0.8
161.02353	0.8
161.05833	1.0
161.07088	11.7
161.09555	0.5
163.03912	21.7
163.08650	6.8
164.04155	0.6
165.06985	2.1
166.70419	0.5
167.04756	0.6
167.06929	0.6
169.06503	0.8
175.04022	0.6
175.07477	0.7
177.01909	0.8
177.06732	0.7
178.07378	1.3
179.03392	68.9
179.08165	1.2
180.03690	1.8
187.03934	0.9
187.07552	1.4
189.06581	5.5
191.03355	0.6
191.08194	7.2
193.06500	1.1
194.08159	0.5
197.05946	1.1
203.08481	0.6
205.06367	0.8
206.06940	0.6
207.07649	100.0
208.07974	2.2
211.07516	1.2
213.05418	0.6
219.07796	0.8
221.05959	3.1
221.09251	0.8
225.05571	0.8
239.06990	1.4
248.08327	0.6
249.05481	2.7
249.08578	1.1
250.06129	0.6
251.06923	0.8
253.04950	1.1
267.06546	2.2
268.07028	0.5
269.04590	1.0
277.05161	1.4
287.10269	0.7
291.10135	0.7
295.06116	2.7
305.11377	2.0
309.11243	0.6
323.05670	2.3
323.12378	29.8
324.12741	1.1
341.07065	3.6
341.13483	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
53.03940	2.0
55.01859	2.2
57.03410	2.0
61.02924	0.7
64.59531	0.6
65.03925	0.9
67.05497	1.3
68.99783	1.8
69.03424	10.1
69.39857	5.0
70.06581	0.6
71.04988	3.6
79.05476	2.1
81.03412	14.7
81.07079	0.6
84.08108	1.2
85.02892	0.8
86.09683	0.7
87.04439	0.6
88.38158	0.6
89.03915	3.1
91.05816	0.8
93.07075	0.7
95.05002	2.8
97.02924	0.8
99.04449	4.5
101.41898	0.6
105.03390	1.3
105.06996	0.9
107.04935	3.0
108.03503	0.6
109.02853	0.6
109.06510	0.6
110.07156	0.7
113.06009	0.5
117.03353	2.5
117.05492	0.7
121.02885	0.6
123.04411	8.3
130.25836	0.5
133.02859	5.1
133.07596	4.4
134.03612	2.2
134.05995	1.9
135.04408	10.7
135.09169	1.2
137.02322	0.9
137.05969	1.6
144.05630	0.6
145.02821	2.6
149.02322	1.1
151.03876	2.4
159.04457	0.7
160.07481	0.6
161.02310	0.6
161.05882	0.6
161.07085	8.0
163.03894	15.8
163.08669	5.6
164.05844	0.6
165.07001	1.4
169.06476	0.9
178.07426	0.7
179.03384	100.0
180.03758	1.8
187.03864	0.6
187.07509	0.8
189.06628	4.9
191.08130	3.7
197.06042	1.8
207.07639	72.2
217.08647	0.9
219.07835	0.7
221.05939	1.9
239.07307	0.7
241.04962	0.8
249.05457	1.1
249.08539	1.0
267.06439	2.1
269.04504	0.9
277.05090	1.4
291.09970	0.6
295.06018	1.5
305.11368	2.0
323.05569	2.2
323.12378	21.9
341.06937	3.0
341.13446	14.0
354.51010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	37.6
67.05487	79.2
68.05833	21.5
69.07059	42.0
70.10445	99.8
70.26524	17.4
75.23129	19.1
79.05476	41.4
81.07050	100.0
82.07373	18.8
83.04958	68.3
88.62212	21.4
91.05443	36.1
93.07046	51.0
95.08584	89.1
96.08935	23.3
101.52938	19.0
105.07037	33.5
107.08549	26.5
109.10168	39.9
119.08566	40.8
133.10187	42.1
145.10139	21.4
149.05972	36.8
205.12241	22.8
208.96822	19.0
217.81235	18.2
248.21005	32.4
273.13614	17.7
284.17337	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0866
Annotation	AESCULIN
Peak:m/z	Relative Intensity
63.76334	0.5
66.55416	0.5
70.70972	0.9
70.71328	1.1
84.04501	0.7
84.08145	1.2
85.02895	1.4
89.03905	0.6
91.05777	0.5
95.04974	1.3
98.67283	0.5
105.03394	1.2
107.04927	1.2
109.02837	0.7
123.04423	12.0
133.02853	9.8
135.04402	3.1
136.07594	0.6
137.07857	0.6
139.82677	0.5
151.03925	4.4
161.02321	0.8
163.03883	3.8
165.07167	0.6
179.03386	100.0
180.03734	1.1
191.03297	0.7
277.15454	1.0
295.05991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.4
55.05504	4.0
57.03439	8.6
58.27245	3.3
60.04525	4.1
61.02910	6.4
69.03429	39.5
69.07059	5.2
70.06583	10.5
70.51890	3.5
70.57024	14.1
71.04969	5.4
72.83552	3.4
73.02900	7.7
74.56088	4.0
81.03427	21.1
83.04952	3.8
85.02905	100.0
85.06607	3.4
86.09657	5.5
87.00832	41.9
89.03896	8.7
95.04947	7.0
96.53067	3.6
97.02892	32.7
99.04450	15.0
100.54965	3.6
105.01186	6.5
105.01857	70.5
105.06992	3.6
107.04907	4.8
109.02905	24.8
117.03384	8.8
122.06017	8.8
123.06824	7.3
127.03911	77.5
130.04982	8.7
133.02841	14.7
135.04387	8.8
136.07507	4.4
145.02811	7.4
145.04953	23.3
145.19647	3.5
146.03587	3.7
149.53793	4.2
151.03946	5.5
159.02846	10.7
163.03874	47.5
165.07013	5.2
179.03468	5.8
181.06792	3.8
181.78342	3.8
194.80232	3.7
231.05025	17.3
243.41164	4.2
249.05728	6.0
250.63220	4.5
260.20206	4.8
262.18005	4.1
322.20135	11.8
340.21362	21.8
341.06519	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.8
56.96559	4.9
57.03420	7.4
61.02895	5.7
65.83928	4.7
67.05509	9.1
69.03423	45.1
70.06578	7.0
71.04984	9.6
71.57158	5.0
73.02925	6.0
81.03405	22.2
83.04948	6.3
84.04503	5.7
85.02425	8.7
85.02910	100.0
87.00825	35.6
89.03917	8.2
91.05441	9.3
95.04945	8.3
97.02901	37.9
98.97591	8.7
99.04453	13.4
101.09232	4.6
105.01868	79.6
107.04931	7.7
109.02886	21.0
116.98646	7.4
119.04935	15.1
120.08126	50.2
127.03925	72.9
133.02850	11.6
134.03665	6.4
135.04430	5.1
137.05995	6.5
145.04951	30.4
147.02797	5.5
147.04416	37.0
148.04762	28.1
159.02896	8.3
163.03860	31.6
166.08691	10.3
178.08658	5.9
179.03423	7.0
231.05008	22.0
239.07300	6.1
249.06007	5.4
276.12335	6.4
322.12997	10.5
340.21255	13.5
358.08163	7.2
359.02768	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03915	2.0
55.05511	47.4
56.51635	1.8
57.03443	16.6
57.06828	2.2
57.07074	21.2
60.24475	1.8
67.05505	28.7
69.07069	61.5
69.25322	21.1
71.04996	3.1
71.08629	10.9
75.01980	1.8
79.05496	16.2
81.06585	3.0
81.07056	42.5
83.08620	35.9
85.06537	3.1
85.10187	5.9
91.05491	4.8
93.07047	20.4
95.08604	28.6
97.06538	4.0
97.10172	22.0
99.17236	2.0
105.07038	4.4
107.08595	11.8
109.10136	16.2
111.08076	3.2
111.11748	6.3
119.08578	3.1
121.10157	13.9
123.08090	1.8
123.11717	4.6
125.09655	1.9
125.13240	1.7
133.10126	5.2
135.11694	11.4
137.13315	1.7
141.12614	1.6
147.11694	2.3
149.13278	7.3
149.80408	1.7
159.11713	3.1
163.14845	5.3
175.14783	3.5
181.44283	1.8
205.19513	2.0
247.24069	2.0
263.68423	2.1
265.25323	2.8
321.27890	10.3
339.28967	100.0
340.29126	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71325	2.8
53.03935	10.5
55.01871	4.0
55.05512	23.6
57.03419	6.0
57.07064	7.0
59.04990	3.6
59.09829	3.2
59.73143	3.0
65.03949	4.8
67.05504	35.3
68.05833	3.9
69.07066	13.8
71.04996	22.4
71.58418	3.5
79.05495	24.7
81.03411	7.2
81.07053	80.3
82.07386	3.3
82.26300	2.9
83.04993	14.9
83.08608	6.0
85.06545	6.8
91.05473	27.9
93.07043	48.5
93.07623	3.9
95.04967	11.7
95.08597	54.0
97.06524	7.6
97.10153	5.2
105.07016	49.9
107.04940	25.3
107.08608	31.1
108.08926	3.3
109.06508	14.4
109.10159	20.1
111.08069	7.9
111.48765	2.9
117.07011	11.0
119.08569	55.7
121.06482	4.0
121.10123	28.8
123.08067	3.7
123.11683	7.4
125.05972	4.0
125.09577	3.5
129.07086	6.8
131.08533	21.8
133.10100	28.3
135.08032	6.9
135.11719	13.1
137.09656	4.0
142.07748	3.4
143.08539	9.3
145.10123	34.5
147.04346	4.6
147.08083	6.3
147.11679	29.8
149.02336	16.6
149.09593	3.7
149.13293	9.3
151.11147	3.1
155.08508	3.5
157.10150	22.0
158.10735	3.1
159.11690	29.6
161.02368	6.3
161.05963	6.9
161.13258	21.8
163.14771	3.9
167.03406	68.0
169.10143	6.2
171.08072	5.5
171.11708	14.5
173.13255	16.5
173.67528	3.0
175.14828	3.8
177.05392	3.1
177.09097	3.8
177.12682	4.9
179.14452	4.4
185.05948	5.2
185.13257	10.5
187.14763	20.6
189.09138	5.6
189.12711	3.3
189.16362	17.6
196.12183	3.6
197.13307	3.9
199.14951	7.0
201.16367	6.1
203.07019	100.0
203.10701	11.7
204.07326	6.5
207.13892	3.4
213.16432	6.1
225.16493	4.2
227.17906	6.8
233.11722	5.0
239.17976	5.3
241.19495	4.0
253.46689	3.2
255.21056	4.9
281.22638	8.9
283.06058	21.3
283.09555	7.6
283.16797	9.2
289.18015	10.4
321.11182	3.8
321.25610	9.0
339.12250	16.3
339.15527	5.2
339.19220	4.8
339.23114	6.4
339.26953	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22061	0.5
53.03930	1.5
55.01868	1.7
55.05507	29.3
57.03424	2.0
57.07059	2.1
59.04986	0.8
65.03945	0.7
67.05176	0.8
67.05502	10.8
69.03420	3.0
69.06723	0.9
69.07066	13.4
70.75878	0.5
71.04982	1.8
71.08610	0.7
71.22203	0.6
71.58588	0.8
77.03883	0.8
79.05477	5.8
80.57491	0.6
81.03431	1.3
81.06583	1.2
81.07053	24.0
82.07324	0.9
83.04979	1.3
83.08614	3.8
85.06538	4.5
87.08103	1.1
91.05478	7.5
93.07039	10.1
95.01323	0.8
95.04977	4.3
95.08601	26.5
96.08945	0.7
97.06522	3.9
97.10163	53.2
99.04501	0.7
99.08086	2.6
101.05996	3.1
101.93392	0.6
105.03378	1.2
105.07025	6.7
107.04967	3.8
107.07883	0.6
107.08587	8.9
109.02867	0.6
109.06504	4.7
109.10149	12.5
111.08072	3.8
113.05973	0.9
115.05462	0.5
117.07005	1.7
119.08564	7.0
121.06483	1.0
121.10129	6.7
122.10539	0.6
123.04358	0.9
123.08032	1.8
123.11695	10.0
125.05941	0.8
125.08757	1.0
125.09616	11.5
128.06186	0.9
129.07024	3.2
131.08554	1.5
132.05679	0.6
133.02780	0.7
133.06483	0.8
133.10112	2.5
135.04419	0.6
135.08044	0.9
135.11668	4.7
137.05968	1.9
137.09624	6.1
137.13248	1.7
139.07530	0.8
139.11182	2.6
141.06967	0.8
141.09067	0.8
143.08525	1.5
143.10666	18.2
144.05736	0.7
145.02837	1.2
145.10081	1.9
147.04323	0.9
147.08037	5.1
147.11691	2.0
149.02322	2.4
149.05959	0.9
149.09624	1.2
149.13232	3.1
151.03880	2.7
151.11191	2.3
151.14819	1.9
153.12692	0.6
155.10663	1.3
157.06508	1.3
157.10121	0.8
157.12230	1.6
159.08057	0.8
159.11685	2.5
160.05151	0.8
161.02327	11.2
161.05966	5.2
161.09610	0.9
161.13246	2.8
162.02727	0.7
163.03880	2.7
163.07726	0.7
163.11238	1.0
163.14828	1.0
165.09081	6.1
165.12726	1.4
167.03407	3.8
167.07022	0.7
167.14285	1.1
171.04308	0.6
171.08017	0.7
171.10202	1.0
173.13196	0.8
175.03905	1.9
175.07515	2.5
175.14879	1.0
177.03999	1.1
177.05449	8.4
177.12767	1.1
179.10623	0.8
179.14314	2.4
185.05917	4.0
185.09682	0.6
187.14760	0.7
189.11302	3.0
189.12715	0.6
193.04967	0.7
203.07019	100.0
204.07370	7.4
205.06529	1.2
207.08128	0.6
211.14798	0.6
219.07999	1.6
220.08910	0.6
221.05992	0.8
221.19221	0.5
224.41275	0.6
233.05878	0.8
236.08337	0.6
237.14822	0.6
239.07042	0.8
249.05421	1.4
251.10735	0.6
261.09024	0.6
264.07813	1.1
267.06534	1.1
275.16568	0.7
275.23764	1.0
277.08505	0.7
278.09335	0.7
279.06616	0.8
279.10162	1.1
281.08017	0.8
283.06180	0.9
285.14981	1.1
293.24765	1.5
303.15729	0.9
303.23096	3.4
307.09631	2.7
311.12598	1.3
321.10992	1.7
321.24207	13.4
339.08569	2.1
339.12271	5.3
339.15964	1.0
339.25363	1.7
340.12512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03931	3.9
55.01862	4.6
55.05274	3.0
55.05511	46.6
57.03431	3.3
57.07060	5.4
67.05505	20.5
69.03435	12.1
69.07068	35.7
69.51002	12.4
69.51408	3.2
70.06560	1.8
71.04993	4.0
75.35706	1.8
79.05492	11.9
81.03411	5.1
81.07053	50.4
82.07350	2.1
83.04975	5.2
83.08622	8.9
85.02867	2.4
85.06535	9.5
91.05481	12.9
93.07034	25.8
93.72297	2.0
95.04959	14.4
95.08059	3.5
95.08611	44.6
97.02905	2.3
97.06528	6.0
97.10166	100.0
99.04449	2.7
99.08109	3.1
100.11182	2.7
101.05991	5.2
105.07017	15.0
107.04935	6.3
107.08591	17.7
109.06492	10.9
109.10153	38.9
110.10520	2.2
111.08072	9.6
111.11718	8.0
119.08559	16.9
121.06501	4.3
121.10158	17.5
123.04408	2.8
123.08070	3.0
123.11700	16.1
125.05971	4.6
125.09615	19.6
129.06944	2.0
131.08549	3.2
132.91345	2.0
133.06497	3.1
133.10136	7.6
135.08022	2.8
135.11678	8.8
137.02344	2.4
137.06021	4.2
137.09621	29.5
137.13217	3.8
139.07684	2.2
139.11172	17.8
143.08545	3.0
143.10677	34.5
145.02847	4.4
145.10135	4.9
147.04446	3.4
147.08023	7.4
147.11684	7.9
149.05949	5.4
149.13261	7.6
151.07652	1.8
151.11186	3.9
151.14804	2.9
153.12698	2.8
155.10677	3.2
157.10168	4.0
157.12251	11.9
159.11653	3.3
161.02303	4.5
161.05931	2.5
161.09598	2.3
161.13264	5.5
163.03951	2.4
163.07538	3.4
165.07008	2.5
165.09120	53.6
165.12718	4.7
167.03415	2.3
169.07266	1.9
171.08035	2.7
171.11639	2.6
175.14893	4.0
177.01851	4.0
177.05489	28.5
179.10625	2.3
183.10164	4.2
185.05963	3.6
185.09653	1.8
187.14761	2.9
189.11223	5.5
203.07022	43.3
203.10657	5.7
204.07384	2.4
205.06419	2.5
207.17523	2.4
219.06432	32.1
219.08188	3.7
220.06834	2.9
247.07498	4.3
264.07825	2.9
265.08585	2.6
267.06540	3.1
277.05200	1.8
279.10236	3.0
285.14774	2.7
293.24905	2.2
303.23145	9.5
307.09671	3.7
311.12466	2.4
321.11365	3.3
321.24258	21.7
322.24329	2.5
339.08728	4.8
339.12250	15.2
339.15878	2.9
339.25345	4.4
340.12741	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
53.25519	1.3
55.01867	1.9
55.05513	12.8
57.03438	7.1
57.07059	5.5
57.96747	1.2
58.01522	1.2
60.53038	1.2
65.03926	3.0
67.05502	95.3
69.06792	1.1
69.07071	11.7
71.04984	2.3
71.49310	3.4
79.05490	51.7
81.07053	89.0
82.07362	3.5
83.08601	7.7
85.06532	3.5
91.05480	25.7
93.07037	60.8
94.60384	1.3
95.04964	3.5
95.08604	77.3
97.06502	3.4
97.10166	3.0
99.08060	2.9
105.07032	25.6
107.04940	2.5
107.08589	47.0
108.08866	1.6
109.06509	3.1
109.10152	47.1
111.08084	2.3
116.06173	1.8
117.07030	10.9
119.08582	22.2
121.10141	45.0
123.08045	1.4
123.11706	15.3
125.09617	1.8
129.07002	2.0
131.08566	22.8
133.10135	17.1
135.10681	2.6
135.11684	35.0
137.09544	2.5
137.13287	3.0
145.10120	23.9
147.08032	4.5
147.11688	12.6
149.13240	22.6
151.03934	1.9
151.11188	1.8
159.11674	21.7
161.02324	6.1
161.05986	2.7
161.13252	5.0
163.14877	6.9
165.12700	2.6
167.03355	3.4
173.13239	12.7
175.03992	1.9
175.07552	3.2
185.05963	4.3
187.14809	3.5
203.07025	100.0
204.07387	8.5
219.21143	4.3
229.19525	22.9
247.20560	84.4
248.20918	4.3
265.21677	3.2
321.24249	3.1
336.19739	1.9
339.18936	4.8
339.25095	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.66928	1.9
53.03944	5.3
55.01854	2.5
55.05506	17.0
57.03431	6.2
57.07056	6.5
65.03925	4.9
67.05504	94.9
69.07066	14.3
70.49024	4.9
70.49391	4.5
71.04996	4.4
72.30234	2.0
79.05071	3.9
79.05491	53.3
81.03417	3.6
81.07055	100.0
83.08611	6.2
85.06553	3.4
91.05472	31.1
93.07039	72.9
95.04970	7.3
95.08603	87.0
97.06480	4.3
97.10139	5.0
105.04523	2.5
105.07030	25.5
107.04906	2.2
107.08593	53.5
109.06513	5.8
109.10160	49.7
117.07024	12.4
119.08565	26.2
121.10146	55.3
123.04403	3.3
123.08027	3.9
123.11738	17.0
128.06244	3.6
129.05467	2.2
129.06995	2.7
131.08585	25.0
133.10123	19.4
135.04448	4.6
135.11685	40.7
137.09555	3.3
137.13199	2.6
139.11171	2.9
143.08574	6.6
145.10133	22.9
146.96402	2.1
147.11705	17.9
149.02376	2.9
149.13266	17.0
151.11156	2.5
159.11696	23.0
161.05922	2.6
161.13268	7.1
163.11150	3.4
163.14841	8.8
171.08041	7.2
171.11662	2.3
173.13217	17.0
177.12761	2.4
185.09537	2.4
187.14832	4.2
189.09190	2.9
203.07045	21.1
203.10674	34.1
219.21075	4.3
229.19519	24.5
247.20563	90.8
248.20796	4.1
265.21451	3.4
283.09668	2.5
283.16910	8.1
295.61176	2.3
297.07651	2.4
321.24301	6.5
339.12292	3.4
339.15909	7.3
339.25488	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03931	2.9
55.05503	16.6
57.03434	7.3
57.07062	5.6
65.03933	1.7
67.05499	99.1
68.05824	1.6
69.07067	12.8
69.93646	3.3
69.94059	5.2
70.17528	1.5
71.04981	3.1
72.83173	1.4
79.05488	43.7
81.07050	100.0
82.07379	2.3
83.08621	8.0
85.06516	4.2
91.05475	23.8
93.07037	60.6
93.50545	1.3
95.04967	4.5
95.08601	83.4
96.08932	1.6
97.06534	2.7
97.10143	4.2
99.08084	1.9
100.75922	1.3
105.07014	23.2
107.04929	11.2
107.08591	43.0
109.06503	4.1
109.10151	52.9
111.08049	2.4
117.07018	10.0
119.08591	16.8
121.10131	39.8
123.08051	1.9
123.11694	20.4
125.09660	1.5
127.07554	1.4
131.08578	19.2
133.10117	17.3
133.54497	1.4
135.11697	27.8
137.13222	5.1
138.57573	1.4
139.11174	2.7
145.10117	20.7
147.11688	13.7
149.13249	16.6
151.83780	1.5
159.11678	19.7
159.28091	1.6
161.13269	6.1
163.14816	5.4
165.12787	1.5
173.13275	12.5
187.14789	4.2
201.16469	1.7
203.07013	2.1
203.10640	2.8
219.17601	1.6
219.21059	4.0
229.19475	20.3
230.19849	2.4
233.11720	4.1
247.20547	79.6
248.20912	3.4
265.21689	8.0
283.16959	1.8
321.24274	9.6
339.18954	3.8
339.25272	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77555	3.9
53.03946	8.2
55.01857	6.8
55.05513	29.7
57.03432	14.0
57.07072	10.4
61.57604	3.9
65.03931	5.3
67.05502	100.0
69.07054	16.6
69.78539	11.2
69.78951	17.0
71.05001	5.2
71.08623	4.6
79.05492	51.1
81.07058	91.6
83.08622	14.5
85.06555	10.1
91.05475	38.2
93.07044	55.2
95.04961	9.4
95.08607	74.9
97.06553	8.0
97.10166	11.1
99.08031	7.0
105.07050	32.8
107.08593	37.6
109.06526	19.6
109.10162	52.2
111.08035	4.8
113.06006	7.8
117.07014	20.0
119.08588	23.0
121.02880	5.3
121.06463	6.6
121.10137	44.0
123.08048	5.8
123.11713	13.7
125.09656	9.7
129.06996	8.1
131.08569	23.4
132.44168	5.3
133.10117	24.8
135.08080	10.1
135.11687	26.3
137.09636	5.4
137.13239	5.5
143.08586	9.2
145.06477	9.4
145.10135	23.4
147.08026	6.5
147.11699	21.5
149.13258	14.8
159.08063	6.8
159.10304	4.5
159.11685	16.4
163.14812	5.0
169.10118	5.3
171.07982	9.2
173.06056	6.2
173.13319	9.4
175.11133	5.1
180.16147	4.4
187.14804	6.9
189.09145	6.9
203.07085	24.1
203.08760	4.5
203.10680	18.8
219.21040	5.1
229.04875	4.2
229.19508	16.0
247.20610	69.4
255.63605	4.2
267.06702	4.7
283.06073	8.7
283.09610	5.2
283.16830	34.6
289.17981	31.2
307.19086	5.8
321.11218	10.3
321.20560	15.8
321.24075	7.1
339.12326	13.4
339.21866	5.4
339.25571	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80887	7.2
55.01868	37.0
55.05513	37.6
57.03429	28.0
57.07073	18.2
65.03914	7.9
67.05502	93.2
69.07068	35.9
70.07392	10.4
70.42813	33.0
79.05491	78.9
81.03398	13.1
81.07059	93.6
83.04977	35.4
88.07598	7.8
91.05485	71.5
93.07040	55.1
95.04979	83.1
95.08592	52.5
97.02875	9.2
97.06522	14.2
105.07030	50.4
107.04955	100.0
107.08591	29.6
109.06506	39.7
109.10148	29.4
111.04461	12.2
111.26155	7.7
113.06059	11.6
117.07008	32.7
119.08610	39.4
121.06499	23.7
121.10133	23.0
122.07298	22.0
123.08072	9.0
123.11702	8.8
126.77690	7.2
129.07019	11.6
131.08562	41.7
133.06468	19.8
133.10162	16.1
135.08105	20.4
135.11687	16.8
139.89754	8.0
143.08595	8.7
145.06482	12.5
145.10132	20.5
147.08046	21.6
149.02341	13.4
151.07538	12.9
161.09645	15.2
163.11153	10.2
165.09065	10.7
173.13248	16.3
193.04903	37.3
207.05692	7.7
215.14357	17.2
224.65698	21.3
233.15347	88.1
265.18079	25.2
273.18585	12.8
290.18649	11.2
339.27728	94.7
339.77954	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.6
57.03443	3.8
57.07076	12.8
67.05506	3.6
69.03415	0.6
69.06734	0.9
69.07070	9.7
70.84177	0.6
70.84533	2.1
71.08624	2.0
71.68322	0.6
71.69810	0.6
79.05480	3.6
81.07060	4.9
83.04971	0.8
83.08619	6.0
85.10165	1.5
91.05480	4.7
93.06511	0.9
93.07035	6.1
95.08598	5.3
97.06511	1.2
97.10161	3.0
99.08053	0.7
105.07030	12.4
107.04948	0.8
107.08605	4.3
109.10157	3.2
109.73362	0.6
111.11711	1.4
117.06991	0.9
119.08576	16.1
121.06539	3.5
121.10141	29.7
129.07008	0.7
131.08568	0.8
133.06506	1.2
133.10136	13.8
135.11681	2.1
142.07843	1.6
145.10118	2.2
147.08034	1.5
147.11682	22.0
149.09610	1.2
149.13260	1.2
155.78343	0.8
157.10129	1.6
157.65485	0.6
160.08788	1.2
163.11140	1.2
169.34375	0.7
175.11189	12.3
177.12729	1.6
187.75615	0.6
283.16919	100.0
284.17279	2.2
339.12283	0.8
339.23163	11.0
339.28912	13.6
339.77731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1802
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
53.03936	1.4
55.01865	3.6
55.05508	16.3
56.30285	1.1
56.96558	1.2
57.03422	3.2
57.07082	1.4
58.52579	1.0
65.03942	1.8
67.05506	11.9
68.82802	1.0
68.99803	1.6
69.03415	3.1
69.07065	8.5
69.85504	4.6
71.04998	2.1
79.05492	9.6
79.94138	1.0
81.03403	2.4
81.07053	19.3
83.04991	1.9
83.08606	2.9
85.06539	3.1
91.05475	16.4
93.07052	12.6
94.04221	1.4
95.04957	8.0
95.08608	14.3
97.02928	1.2
97.06533	4.4
97.10161	23.3
98.21497	1.2
99.04436	1.5
101.06031	1.0
103.05415	1.5
103.09415	1.0
105.07023	8.6
107.04951	3.3
107.08604	7.8
109.02879	2.0
109.06503	9.7
109.10149	8.5
111.04454	2.0
111.08096	4.4
113.06015	4.1
115.05450	2.5
117.07030	2.7
119.04919	2.8
119.08583	6.1
121.06499	5.6
121.10150	4.4
123.04419	10.2
123.08066	2.4
123.11732	4.1
125.09615	5.8
127.07578	1.5
128.06252	5.6
129.07021	1.9
131.04962	1.5
131.08546	3.6
133.10152	4.0
135.04446	2.8
135.08072	2.3
135.11707	2.8
137.05972	14.5
137.09595	14.5
139.07530	2.2
139.11197	1.9
141.07022	1.1
143.08565	11.3
143.10654	10.1
145.06480	3.0
145.10117	2.9
147.04410	5.5
147.08070	6.6
147.11668	2.2
149.02385	1.4
149.05989	12.4
149.09615	1.3
149.13268	2.1
151.07570	2.7
151.11177	1.6
153.05562	2.7
153.06927	1.1
155.07030	9.6
155.08363	1.9
155.10692	1.3
157.10124	1.7
157.64172	0.9
159.04449	1.8
159.08017	1.8
159.11739	2.0
161.06003	9.2
161.09615	2.0
161.13225	1.7
163.03943	1.3
163.07559	9.6
165.05542	2.3
165.09131	2.3
167.07059	1.7
167.08543	1.2
169.10124	1.2
171.08040	16.0
173.06010	3.5
173.09697	1.4
173.13188	1.5
175.07510	1.7
175.11211	1.4
177.05478	12.2
177.09135	1.0
181.08545	1.8
183.08090	1.6
185.09612	2.4
187.07582	2.4
187.14738	1.0
188.08292	3.2
189.05496	1.7
189.09154	15.0
189.11050	1.8
191.07031	18.5
191.08524	1.2
191.10670	1.1
192.07806	5.0
193.08511	1.7
195.06540	2.0
203.06990	4.6
203.10661	91.7
204.11032	4.0
205.08511	2.1
209.08066	4.5
210.08820	4.1
215.10774	1.3
219.06342	4.6
223.07654	1.3
223.09557	1.3
229.12350	1.8
235.07588	1.3
247.07587	2.1
257.15244	1.2
265.08685	1.1
275.16293	5.2
279.06754	1.2
279.10049	1.0
283.09586	3.7
285.14926	1.3
292.07257	1.1
293.17465	5.5
303.15903	48.4
303.23193	1.5
304.16400	2.3
307.09738	1.6
321.16956	100.0
322.17361	4.0
339.04968	2.2
339.08646	1.9
339.12122	5.4
339.17975	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1589
Annotation	4'-O-Methylbroussochalcone B
Peak:m/z	Relative Intensity
51.02375	0.7
53.03938	1.6
53.40601	0.7
55.01841	0.8
55.05510	3.3
57.03445	0.8
57.07065	2.4
66.79857	0.8
67.05171	1.2
67.05502	14.9
69.07062	3.4
69.35126	2.6
69.35547	4.4
69.56314	0.8
71.04971	1.1
79.05491	10.8
81.07053	17.2
83.04970	0.7
83.08595	1.2
91.05476	5.2
93.07040	9.6
95.04965	3.0
95.08601	13.6
105.03374	5.3
105.07030	5.1
107.04948	100.0
107.08568	6.4
108.05302	1.6
109.06497	1.8
109.10157	7.5
115.05491	0.6
116.41064	0.6
117.07015	2.0
119.08565	5.1
121.06510	1.0
121.10136	7.1
123.04449	1.1
123.08121	0.8
123.11687	3.1
128.06281	1.0
131.05003	0.7
131.08563	2.4
133.02835	6.2
133.10107	3.3
135.11688	4.6
145.06465	0.9
145.10132	3.6
147.04333	2.0
147.11670	4.0
149.05910	0.7
149.13229	4.0
155.08504	0.8
156.09361	0.8
157.10107	1.4
159.08133	0.8
159.11676	4.3
161.13309	0.8
163.03896	2.8
163.11214	0.7
163.14870	1.2
165.05466	2.5
173.13272	2.5
175.11235	0.9
177.05475	4.0
181.04947	18.2
187.14897	0.9
191.10687	2.0
191.56033	0.6
197.09618	1.1
203.07068	3.4
203.10663	1.8
215.10675	2.5
229.19542	4.6
233.11705	38.8
247.20580	11.0
265.21585	1.0
283.09738	5.7
283.16876	7.0
321.14874	2.0
321.24564	0.8
339.15933	13.8
339.22479	0.9
339.26709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.159
Annotation	Licochalcone E
Peak:m/z	Relative Intensity
55.01863	1.0
55.05494	2.8
57.03443	1.1
65.03909	1.4
67.05494	3.5
68.99790	4.0
69.03411	2.4
69.07050	2.6
70.24412	3.2
71.04973	1.3
79.05487	5.2
81.03417	1.4
81.07058	12.1
83.04975	1.7
83.08612	1.4
83.59643	0.7
91.05473	7.4
93.07047	7.5
95.04953	2.9
95.08610	7.6
97.02862	1.8
97.06514	2.0
97.10159	2.7
99.08053	1.0
103.05487	1.5
105.07028	4.3
107.04945	2.4
107.05625	0.8
107.08583	2.4
109.06516	2.1
109.10143	2.7
111.08086	2.1
115.05439	1.3
117.07069	1.2
119.04925	3.1
119.08566	2.8
121.06508	5.0
121.10103	2.7
123.04402	6.7
123.11697	3.2
125.09634	1.7
128.06221	7.6
129.06982	3.3
131.08510	2.2
133.10196	1.3
135.07968	1.4
135.11691	1.8
137.06030	2.0
139.07504	1.2
139.11145	1.5
143.08568	10.8
145.06433	1.6
145.10098	1.9
147.04376	2.4
147.08014	3.2
147.11664	2.1
149.02312	1.0
149.05977	22.1
151.03877	1.1
151.07553	2.9
159.08057	3.2
159.11653	1.4
161.02342	5.2
161.05984	5.7
163.07494	2.7
165.09171	1.0
167.03397	1.5
167.07115	1.2
169.10130	1.4
171.08054	10.7
172.08824	0.9
173.05980	4.4
173.09625	1.8
174.06721	1.2
175.07510	2.6
177.05453	12.6
177.08990	1.8
185.05997	2.9
185.09608	2.9
187.07425	1.6
188.08290	1.8
189.05293	1.2
189.09070	2.6
191.10757	1.2
201.09059	1.7
203.03149	1.9
203.07039	41.3
203.10660	100.0
204.11066	2.8
218.07275	1.1
219.06419	6.0
219.08311	1.0
229.12302	7.7
235.07655	1.1
236.08376	1.0
247.07550	2.0
264.07773	1.2
279.10016	1.1
281.08005	1.0
291.06607	1.1
303.23221	1.1
307.09540	2.3
311.12793	1.3
321.11102	2.8
339.05151	1.1
339.08755	1.8
339.12189	5.2
339.15903	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1589
Annotation	Bavachinin
Peak:m/z	Relative Intensity
57.46563	0.4
59.04988	0.5
67.05499	1.2
68.99778	0.5
69.03410	0.6
69.07053	0.8
71.07663	0.7
71.07979	0.6
72.55243	0.4
77.74404	0.4
79.05474	0.8
81.07045	1.6
88.81519	0.4
91.05460	2.2
93.07027	0.9
95.04961	1.5
95.08595	0.9
105.07014	1.6
107.04958	0.7
109.06511	0.4
115.05418	1.5
115.91490	0.4
117.07030	0.7
119.04942	2.0
121.06509	0.6
121.10154	0.4
123.04418	4.2
128.06221	14.8
129.07001	1.2
131.08540	0.4
141.06958	0.8
142.07809	1.2
142.96568	0.4
143.08556	24.4
145.06468	1.7
145.10123	1.2
147.04395	1.6
147.07945	0.5
149.02397	0.7
149.05971	5.8
151.07489	0.5
155.06073	1.2
159.07993	0.5
160.08835	0.6
161.02357	0.5
161.05925	0.7
167.03337	1.0
171.08044	53.8
172.08533	1.6
173.06018	3.6
173.09570	3.0
175.07474	0.8
175.11142	0.6
177.05525	3.1
179.08521	0.5
185.09610	9.0
187.07491	0.5
188.08286	1.7
189.09145	0.5
197.09601	0.7
203.10658	100.0
204.10991	2.2
219.06514	0.9
229.12257	1.6
283.06091	0.7
283.09552	1.3
297.11185	1.5
321.10892	1.0
339.12149	2.6
339.15933	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1588
Annotation	Bavachinin
Peak:m/z	Relative Intensity
52.49433	0.6
53.03937	0.7
55.01862	1.3
55.05497	3.0
55.60329	0.6
57.03419	0.6
57.81070	0.7
59.05004	0.6
59.73827	0.6
65.03928	1.1
67.05507	4.5
68.99776	1.6
69.03430	0.8
69.07050	2.7
69.40295	4.5
69.40724	1.9
71.04974	1.1
77.03951	0.7
77.90496	0.6
79.05477	2.1
81.03411	1.3
81.07049	10.4
83.08630	1.3
87.86210	0.7
91.05469	8.6
93.07024	3.3
95.04949	2.6
95.08612	7.2
97.06535	1.6
97.10132	1.6
103.05441	1.0
104.37092	0.6
105.03388	0.7
105.07030	3.5
107.04929	2.4
107.08562	2.8
109.02820	0.7
109.06482	1.6
109.10151	5.5
111.04488	0.8
115.05453	0.9
117.07027	1.5
119.04922	2.5
119.08584	2.2
121.06490	1.6
121.10110	1.7
123.04443	5.6
123.08057	0.7
123.11697	8.4
124.00523	0.6
125.09544	0.8
128.06223	14.7
129.07002	2.1
131.08542	1.3
133.06467	0.7
133.10104	1.1
135.07990	0.6
137.06029	1.2
137.09618	1.7
141.06964	1.3
142.07761	1.4
143.08549	24.2
145.02823	0.8
145.06468	2.0
145.10106	1.5
147.04388	1.5
147.08026	2.1
147.11703	1.2
149.02354	1.4
149.05962	9.0
151.03940	1.1
155.06029	0.9
155.10704	1.3
158.07269	0.8
159.04411	0.9
159.08037	1.0
161.02383	4.3
161.05949	2.6
161.09589	0.8
163.03896	1.0
163.07559	0.9
165.09070	3.4
167.03386	2.1
167.08476	0.8
171.08046	47.0
172.08636	0.8
173.06018	4.5
173.09621	3.1
173.11836	0.8
175.07526	1.2
175.11174	0.9
177.05475	4.3
185.05939	1.6
185.09613	8.5
187.07503	0.7
188.08322	1.3
197.09601	0.9
201.09128	0.7
203.07050	29.0
203.10655	100.0
204.07382	0.7
204.11021	1.7
219.07980	0.7
221.05917	1.1
229.12242	3.4
236.08257	0.7
237.09142	0.8
239.06935	0.9
250.06157	1.0
261.09027	0.9
265.04913	0.9
267.06500	1.6
275.16324	0.7
279.06598	0.7
283.06015	1.5
283.09311	0.7
303.15915	0.7
307.09766	1.6
311.12656	0.9
312.58521	0.8
321.16919	0.8
339.05188	3.4
339.08591	1.3
339.12137	3.4
339.15967	5.8
339.22598	0.8
340.11984	0.8
350.49011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1592
Annotation	Licochalcone E
Peak:m/z	Relative Intensity
55.05493	0.8
56.25015	0.6
57.07076	1.0
58.15191	0.7
63.06420	0.6
67.05504	1.5
67.65418	0.7
69.03410	0.6
69.07060	1.1
70.93603	2.2
79.05476	2.0
81.07053	1.9
82.29350	0.6
83.08631	0.6
89.57114	0.7
91.05473	3.0
93.07048	1.5
95.04957	0.8
95.08587	1.6
97.77464	0.6
103.70274	0.6
105.07000	2.2
107.05009	0.9
113.53597	0.6
115.05437	0.7
119.04922	2.3
119.08594	2.4
121.06475	1.0
121.10128	2.4
123.04436	4.0
128.06210	5.4
133.10130	1.9
137.04301	1.0
137.05968	2.2
141.07047	0.6
143.08565	7.5
145.06503	1.0
147.11662	1.7
149.05981	9.8
157.08675	0.9
157.10060	0.8
159.07988	0.7
161.05997	6.9
168.06537	0.8
171.08054	9.7
173.05980	4.5
173.09615	1.1
175.07561	1.6
175.11185	1.2
185.09596	2.6
188.08322	2.4
203.06993	4.5
203.10667	100.0
204.11057	2.9
253.60594	0.7
267.06491	2.7
283.16891	8.1
321.11264	1.2
339.12244	2.6
339.15891	17.3
339.22656	1.2
339.27127	2.2
339.77902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05513	1.1
56.96548	1.2
59.04987	0.5
65.90073	0.6
67.05488	2.0
69.07053	1.6
70.28350	2.7
79.05470	1.3
81.03444	0.8
81.07045	2.4
83.08623	0.8
87.04444	0.5
87.94907	0.6
91.05466	2.1
93.07026	1.3
95.04942	1.3
95.08595	1.6
97.10168	0.6
98.97561	0.5
105.07013	2.0
106.27824	0.5
107.04919	0.6
107.08619	1.0
109.06476	0.8
109.10135	1.4
116.98589	1.0
117.07001	1.1
119.04922	0.9
119.08559	1.4
123.04422	3.3
128.06210	9.2
129.06993	0.9
133.10170	0.7
134.99619	0.9
135.11647	0.6
137.05989	0.7
142.07777	0.9
143.08551	17.9
145.06461	1.3
145.10085	1.2
147.04427	1.0
149.05984	1.5
151.11102	0.6
159.08040	0.7
161.05940	0.7
161.09630	0.7
167.03583	0.5
171.08041	43.2
172.08533	1.1
173.05975	2.3
173.09645	2.7
175.07503	0.5
177.05388	0.6
185.09595	6.4
188.08287	0.9
189.09070	1.0
203.06972	2.2
203.10657	100.0
204.11020	1.5
219.06500	0.7
250.06244	0.6
257.40039	0.6
278.06052	0.6
283.06247	0.6
283.09628	1.7
289.18170	0.6
311.11487	0.7
321.17465	0.7
339.11557	2.2
339.15958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
59.04992	1.2
59.41140	0.8
65.03927	1.6
67.05490	2.2
69.03419	1.5
69.07066	1.9
79.05479	2.6
80.60233	1.0
81.07065	2.2
81.35142	0.9
91.05473	7.4
93.07030	1.4
95.04958	2.8
95.08604	1.0
97.06532	1.4
105.07013	2.0
107.04949	3.4
115.05450	3.5
117.07022	4.2
119.04932	8.8
119.08574	1.1
121.02837	1.1
121.06527	1.0
123.04411	3.6
125.05996	2.3
128.06213	10.2
131.01279	1.1
135.01514	1.0
142.07802	1.5
143.04909	1.2
143.08548	19.2
145.06509	4.1
147.04404	17.7
149.02341	13.9
149.05962	3.6
161.05928	1.2
163.03900	1.8
163.07628	0.9
167.03407	33.0
169.04893	1.1
171.08046	38.4
172.08688	1.7
173.05974	8.5
173.09636	2.5
174.06557	1.3
177.01852	5.0
177.05470	3.7
181.01385	1.3
185.09572	7.0
188.08429	0.9
191.07034	14.3
194.79085	0.9
201.05464	6.4
203.07372	1.8
203.10658	77.7
204.11017	2.3
219.06519	100.0
220.06891	2.3
237.07552	3.4
253.08411	1.7
283.09601	8.9
321.11191	3.8
339.12183	10.8
339.15921	9.5
339.23224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
53.56207	1.1
54.32784	0.9
64.56026	1.1
66.41643	1.0
67.05492	1.8
70.06551	1.3
70.54825	3.0
70.55220	2.2
79.05494	5.8
81.03411	2.0
81.07059	10.6
82.06535	1.7
91.05471	3.2
93.05769	2.4
93.07027	2.8
94.06566	5.5
94.07092	1.1
95.04939	1.8
96.08117	3.4
106.06549	1.8
107.04977	1.3
108.08107	3.0
109.06522	2.1
110.06023	7.4
119.04916	1.7
122.06024	27.9
123.06822	2.0
124.07587	19.8
134.06032	2.6
135.04471	1.5
136.07579	92.8
137.07990	1.6
138.05467	1.4
138.09138	1.8
140.07076	6.9
142.39766	1.1
147.04395	4.7
150.05495	11.5
150.81374	1.2
152.07062	100.0
162.05521	3.4
163.03860	1.2
164.07068	89.5
166.08672	1.3
168.06635	1.7
170.08167	14.2
177.05452	7.7
177.45654	1.0
182.08127	29.4
214.12325	1.4
232.13303	1.8
260.12839	1.9
266.30591	1.1
285.12198	2.3
297.43130	1.2
303.13412	25.3
318.31400	1.2
321.14462	8.8
339.15710	1.8
350.25656	1.2
354.73578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Glyinflanin B
Peak:m/z	Relative Intensity
53.03930	0.3
53.90979	0.2
55.01858	0.5
55.05491	1.0
57.03419	0.7
61.60199	0.3
64.75232	0.2
67.05502	2.1
69.07043	0.5
69.29445	0.7
69.29865	1.9
69.77452	0.2
71.04953	0.7
77.03917	0.3
79.05482	2.0
81.03399	0.5
81.07053	3.0
83.04977	1.9
85.06500	0.3
91.05475	3.0
93.07039	1.8
95.01303	0.7
95.04946	0.4
95.08597	1.4
96.41103	0.2
97.06544	0.3
97.10171	0.3
97.54526	0.2
102.94456	0.3
103.05414	0.3
105.03321	0.4
105.07023	1.4
107.04951	1.3
107.08563	0.7
109.06532	1.7
109.10145	0.4
117.07011	0.7
119.04961	0.3
119.08580	2.6
121.06454	0.4
121.10140	0.6
123.00764	0.4
128.06223	0.5
129.06966	1.8
131.08534	1.4
133.02829	0.8
133.06458	0.7
133.10118	0.7
135.08020	0.5
135.11633	0.7
137.06026	0.2
141.06949	0.4
143.08524	0.4
144.05626	0.5
145.06409	0.3
145.10112	0.5
147.04419	0.2
147.08037	2.8
147.11652	0.4
149.02304	1.7
149.09584	0.2
151.03897	1.2
157.06450	0.7
159.07965	0.6
159.11624	0.6
160.05176	0.7
161.02324	8.7
161.05956	2.8
161.09589	0.3
161.13269	0.6
163.03859	1.8
163.07579	0.4
163.11162	0.5
167.03395	2.6
169.09998	0.3
171.11642	0.4
173.13278	0.3
175.03877	1.1
175.07536	1.4
180.95247	0.3
185.05962	3.3
187.14789	0.3
188.04620	0.4
191.14195	0.3
200.11850	0.3
203.07013	100.0
204.07323	2.2
213.16489	0.3
233.15335	0.5
247.20451	0.3
261.18582	0.2
271.16989	0.3
289.18079	1.2
297.11139	0.3
321.11035	0.3
321.20499	0.5
339.12274	1.2
339.27570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1227
Annotation	Crotalarin
Peak:m/z	Relative Intensity
53.03936	0.5
55.01857	1.8
55.05515	5.2
57.03421	0.9
57.07058	2.1
57.39443	0.5
59.05019	0.5
61.57103	0.4
67.05503	6.2
68.99800	0.5
69.03407	0.9
69.07069	7.8
69.76026	1.8
69.76430	1.0
71.04968	0.7
71.08612	0.9
77.32622	0.5
79.05489	3.0
81.03388	0.9
81.06586	0.8
81.07058	14.9
83.04980	0.9
83.08621	4.6
85.06535	3.0
91.05501	2.5
93.07047	3.8
95.04966	1.7
95.08612	12.5
97.06531	1.3
97.10166	4.4
98.20791	0.6
105.07027	3.0
107.04958	1.2
107.08589	3.4
109.06513	1.6
109.10155	6.4
111.08069	1.0
111.11700	1.8
115.07579	0.5
117.07037	0.6
119.04942	1.5
119.08598	3.3
119.09322	0.5
121.02890	3.9
121.06507	1.0
121.10113	3.3
123.08048	1.9
123.11716	3.1
125.09628	0.6
127.07564	1.0
131.08533	0.9
133.10136	2.7
135.08060	1.1
135.11678	1.8
137.02324	1.1
137.09573	0.6
137.13229	1.5
141.01836	4.4
143.08557	0.8
145.10123	1.1
147.08084	1.2
147.11620	2.2
149.13257	1.2
151.07520	1.4
151.11206	0.5
151.14790	1.3
153.09145	0.5
157.10060	0.8
159.11705	1.1
161.05963	0.7
161.13202	0.6
163.11243	0.6
165.01839	17.7
165.12807	1.2
166.02171	0.7
167.10707	0.7
171.08022	0.6
171.11752	0.5
173.05927	0.8
174.80565	0.5
175.11125	1.1
177.05301	0.5
177.12732	0.5
179.14293	1.0
183.02896	15.7
183.04541	0.9
189.09164	0.9
195.13779	0.5
203.07054	1.6
203.10690	1.2
213.22958	0.5
219.06520	0.8
235.91426	0.4
236.92104	0.5
261.26111	0.5
283.06012	100.0
283.16803	5.8
284.06326	4.1
285.25919	0.7
289.17834	0.7
303.26840	0.8
321.27866	3.0
339.12277	7.1
339.23120	0.8
339.28870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Erythrivarone A
Peak:m/z	Relative Intensity
50.80478	0.3
51.37998	0.4
55.01855	1.6
55.05498	1.4
65.03947	2.2
67.05505	2.4
69.03410	0.6
69.07049	1.2
69.13097	0.4
69.52687	2.9
69.53106	0.9
70.28779	0.4
71.04993	0.5
79.05488	2.1
81.03420	2.2
81.07045	2.1
83.08594	0.9
89.03908	0.8
91.05463	1.6
93.03394	1.3
93.07018	1.3
95.01307	0.6
95.04949	1.8
95.08590	1.6
97.06509	0.5
97.10146	0.5
105.03374	1.1
105.07033	1.1
107.04930	1.5
107.08548	0.9
109.06510	2.1
109.10141	1.0
113.05960	0.4
115.05387	0.5
117.07053	0.7
119.08575	0.7
121.02845	2.1
121.06527	0.5
121.10158	0.8
123.04425	5.0
123.08047	2.0
128.06198	1.1
129.06944	0.5
131.08594	0.9
133.02817	1.0
133.06494	0.5
133.10138	0.7
135.04424	1.3
137.02332	1.5
137.05939	0.5
137.09598	0.4
138.12425	0.4
139.03883	0.7
141.45236	0.4
143.08569	1.0
145.06448	0.6
145.10161	0.7
147.04390	0.8
147.08005	0.8
149.02336	9.2
149.05812	0.6
152.06168	1.3
153.06993	2.8
155.04890	1.8
159.04338	0.4
159.08006	0.5
161.02344	3.4
161.06030	0.7
167.03394	3.6
171.08002	1.3
173.05951	1.9
177.05464	0.7
181.06464	4.6
183.04341	1.4
184.05090	0.5
189.05553	0.6
189.09090	1.5
199.07549	1.3
201.05502	1.9
203.07074	2.3
203.10722	1.3
209.05946	2.7
211.03900	12.8
212.87648	0.5
213.05528	1.1
227.06999	6.6
237.05449	5.8
246.88695	0.4
255.06467	2.4
265.04883	2.1
283.06012	100.0
284.06360	3.6
289.17694	1.0
307.19122	0.7
311.12714	0.5
321.11356	0.7
321.17026	1.7
324.60684	0.4
339.12271	32.9
340.12534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.03932	1.8
55.01875	0.9
55.05507	1.0
57.03431	1.6
58.78825	0.3
63.95877	0.4
65.03940	4.2
67.05494	1.1
68.99780	0.8
69.03427	5.5
69.07072	0.6
71.04994	1.9
71.57034	0.4
79.05492	1.2
81.02931	0.5
81.03414	9.0
81.07056	1.7
83.04976	0.8
85.02901	4.5
85.06532	0.7
87.00822	1.9
91.05478	100.0
92.05809	0.9
93.07040	1.6
95.04971	1.1
95.08598	1.4
95.09351	0.3
97.02876	1.6
99.04447	2.4
105.07011	2.2
106.81031	0.4
107.04942	1.1
107.08595	1.1
109.02880	6.4
109.06470	0.5
109.10147	0.6
111.04422	1.1
111.08071	0.9
117.07009	0.7
119.04926	0.5
119.08590	1.3
121.06506	1.5
121.10167	0.8
122.05990	0.5
123.04436	0.5
123.08048	0.5
127.03902	7.8
128.06163	0.5
129.05437	0.5
129.07004	1.2
131.08606	0.8
133.06476	0.8
133.10091	0.8
135.08105	0.4
136.07588	1.2
137.05943	0.9
137.09616	0.5
142.36485	0.4
143.08525	0.7
145.02837	0.6
145.06506	0.7
147.04430	0.5
147.08075	1.1
149.09610	1.3
149.13280	0.6
159.07974	0.5
161.05928	0.7
161.09598	0.7
163.11288	0.5
164.07028	0.6
171.08075	0.5
175.07538	0.8
175.11115	0.5
177.05486	2.4
177.09047	0.9
179.10660	0.7
183.79045	0.4
189.12729	0.5
205.06541	0.9
205.08609	1.0
207.10162	1.4
217.08731	0.5
217.12289	1.0
231.05055	0.8
233.06215	0.4
235.13411	1.2
247.07597	0.6
265.15186	0.4
279.10120	0.5
307.09619	0.6
339.08765	1.2
339.12219	1.5
364.69733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.80641	1.4
56.96564	2.0
60.13567	1.5
65.03965	2.0
66.71430	1.8
71.56817	2.4
71.57307	2.9
73.19072	1.5
81.03419	1.9
85.02855	2.0
86.18758	1.5
89.22540	1.5
91.05475	14.4
97.02908	1.5
98.97556	1.9
108.08138	2.2
111.48597	1.8
119.04939	23.4
120.08068	2.7
121.06510	1.6
122.06049	2.5
128.78131	2.2
135.08101	2.9
136.07492	3.4
147.04401	100.0
177.05466	3.3
205.06444	2.9
216.54434	1.5
264.07565	1.8
321.14651	1.9
339.08499	7.0
339.12115	2.5
358.08316	2.9
364.79385	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76531	1.2
57.34884	1.1
65.03945	1.6
69.03452	2.5
69.07056	1.3
69.75872	2.7
69.76281	6.5
70.06577	1.6
72.93757	1.3
79.05492	2.1
83.04981	1.6
85.02925	2.8
86.09709	1.3
91.05482	12.6
98.20847	2.5
98.97573	1.5
100.59096	1.2
103.05441	1.5
107.04924	1.3
108.08076	1.4
109.06517	1.4
117.07027	1.3
119.04939	24.6
119.08615	1.4
120.08170	1.7
120.94865	1.1
122.06068	1.8
147.04410	100.0
159.08015	2.1
163.03818	1.5
169.06636	1.2
174.64609	1.4
177.05504	4.5
205.06462	2.3
221.05914	1.6
228.79636	1.4
250.06271	2.2
254.42673	1.2
311.12650	1.5
339.04947	2.1
339.08673	4.1
339.15561	2.1
339.26373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01866	0.9
55.05503	0.6
56.05031	3.5
56.96569	3.7
57.03437	2.4
59.93765	0.4
61.02924	3.6
63.62338	0.4
65.26043	0.5
69.03080	0.7
69.03428	9.1
69.07062	0.9
70.06586	4.1
70.60640	0.8
70.60992	1.3
71.04984	1.2
72.04514	1.1
73.02908	2.0
74.06075	11.8
79.05492	0.7
81.03419	4.0
83.04978	0.5
84.04479	0.6
84.08145	1.0
84.96002	0.6
85.02900	19.8
86.09689	0.8
87.04451	1.2
88.07629	3.7
89.03909	1.1
91.03938	1.0
97.02885	9.1
97.06519	0.5
98.06071	0.6
98.97594	3.1
99.04453	1.6
107.04961	0.8
109.02877	2.0
110.07117	0.6
112.11257	2.1
116.07072	0.6
116.98605	2.7
117.03387	1.2
119.04897	0.5
127.03929	5.0
128.98569	1.1
130.12271	100.0
131.12616	0.7
134.99644	1.3
135.04391	2.2
136.07581	0.9
144.06471	0.6
145.02881	1.0
145.04933	2.7
146.99605	0.7
149.01236	0.5
158.11765	1.2
158.99648	1.2
160.07530	0.5
161.01215	0.8
163.03906	6.6
164.04210	1.0
165.00647	0.7
168.05502	1.1
176.05196	1.7
176.12814	81.2
177.00693	1.3
177.04312	1.2
177.06364	1.9
177.13191	0.5
187.55974	1.0
189.00661	0.8
191.03906	0.6
195.05360	0.8
200.12805	0.9
203.03419	1.0
218.13725	0.8
219.01790	1.3
220.05989	2.7
237.02875	2.2
257.07730	0.7
263.00790	0.6
302.16086	0.6
311.18668	0.5
321.08466	1.4
338.18185	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01873	1.0
55.05503	0.4
56.05032	3.7
56.96562	3.7
57.03440	2.2
61.02922	3.8
67.05492	0.6
67.53207	0.4
68.05012	0.4
69.03427	8.8
69.07048	0.9
70.06593	3.2
71.04983	1.5
71.32766	0.8
72.08154	0.4
73.02911	2.0
74.06074	12.7
79.05478	0.6
81.03407	3.7
84.04482	0.7
84.08109	0.7
84.96043	0.4
85.02901	20.6
85.12160	0.3
86.09692	1.2
87.04459	1.3
88.07624	3.8
88.99170	0.5
89.03921	1.8
91.03950	1.5
95.04974	0.8
96.04462	0.5
96.18303	0.4
97.02888	9.1
98.06061	0.8
98.97588	3.0
99.04436	1.1
107.04944	1.2
109.02861	2.5
110.07156	0.7
111.04432	0.6
112.11225	2.5
115.00672	0.5
115.03931	0.5
116.98619	2.5
117.03365	1.4
119.01904	0.6
123.04479	0.4
127.03919	4.6
128.98590	1.0
130.12270	100.0
131.00148	0.6
131.12593	0.8
133.01768	0.4
134.99660	1.2
135.04404	3.0
136.07596	0.8
136.40987	0.4
140.07065	0.6
145.02837	1.2
145.04965	2.6
146.99632	1.4
158.11789	1.6
158.99648	0.7
159.03195	0.6
163.03888	7.7
164.04286	1.1
168.05409	1.6
172.13306	0.7
176.05231	1.5
176.12814	82.3
177.00685	1.6
177.04337	1.2
177.06590	2.2
177.13205	0.8
187.54370	0.5
187.56003	0.5
188.96967	0.4
193.03821	0.5
195.05392	0.6
203.03424	0.6
213.04167	0.4
219.01752	1.1
219.05418	0.5
220.06012	0.9
223.01244	0.4
225.09825	0.5
237.02780	2.6
261.02521	0.4
264.00882	0.5
278.06357	0.4
296.07343	0.5
321.08578	1.5
338.17990	4.5
339.09662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01870	1.5
55.05508	46.1
57.03434	30.3
57.07055	5.7
59.76817	1.1
62.93627	1.1
65.03925	3.4
67.05501	100.0
68.05844	1.8
69.07064	56.5
69.95043	5.0
69.95459	2.4
71.04977	2.6
71.08620	2.1
79.05483	25.7
81.07051	88.6
83.04992	2.3
83.08614	25.0
85.06522	4.0
91.05469	13.3
93.07041	22.0
95.04958	3.4
95.08601	69.0
97.06521	4.1
97.10163	11.6
98.21471	1.3
99.08079	2.7
105.07016	11.3
107.08603	12.4
109.10146	22.0
111.08067	2.5
111.11698	4.0
119.08575	7.1
121.10124	10.0
123.11684	10.6
124.77357	1.1
133.10094	9.0
135.11684	4.9
137.09610	2.3
137.13219	4.5
139.18610	1.4
144.23215	1.1
147.11670	5.7
149.13307	3.0
151.14799	1.5
161.13257	3.2
163.14734	1.5
175.14850	2.1
245.22623	1.5
263.23804	1.5
337.27338	74.4
338.27673	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	HXB3
Peak:m/z	Relative Intensity
51.02384	2.1
53.03944	3.6
55.01867	5.1
55.05506	26.7
56.96557	2.5
57.03436	4.1
57.07077	13.2
57.23127	1.8
65.03935	2.3
67.05503	39.4
68.23605	1.9
69.03423	42.0
69.07066	25.1
71.04988	13.2
71.08633	2.2
71.13074	5.0
73.06557	2.0
75.74682	1.9
79.05492	20.7
81.03418	6.5
81.07051	65.5
83.04984	14.3
83.08627	6.8
85.02923	3.1
85.06538	45.1
87.04492	2.2
91.05467	18.6
93.07043	43.6
95.04957	24.4
95.08601	100.0
96.08945	2.9
97.06518	13.8
97.10157	12.8
99.04452	16.7
99.08109	4.0
101.06017	6.7
105.07019	27.6
107.04944	3.4
107.08591	36.4
109.02869	5.7
109.06528	11.8
109.10145	48.1
111.04433	4.1
111.08065	17.0
111.11765	2.5
112.23590	1.9
113.05990	3.7
117.07018	5.3
119.04984	2.8
119.08574	22.1
121.06493	6.6
121.10135	32.4
123.04482	2.9
123.08047	18.3
123.11713	16.4
123.77657	2.0
125.05994	3.2
125.09628	12.1
127.03924	3.9
127.07558	2.7
128.06219	2.6
129.06993	4.1
131.08566	10.0
133.10115	17.8
135.04417	3.3
135.08020	12.5
135.11682	15.6
137.05966	3.2
137.09610	34.9
137.13242	6.0
139.07523	49.1
139.11195	10.3
141.06892	3.2
141.09125	13.0
143.08537	5.2
145.06494	5.0
145.10114	9.3
147.04411	6.5
147.07986	5.0
147.11716	15.1
149.05974	14.0
149.09601	5.5
149.13240	14.2
151.07573	2.9
151.11205	8.5
153.09155	9.5
155.10663	13.5
157.10147	5.5
159.11693	14.0
161.05966	3.9
161.09656	3.8
161.13286	8.8
163.03914	8.9
163.07539	3.2
163.11249	5.4
163.14774	2.2
165.06898	2.2
165.09103	22.7
165.12753	5.0
167.10701	3.8
171.08031	3.0
171.11734	5.4
173.05975	3.6
173.13339	3.9
175.07524	11.6
175.11226	3.7
175.14883	3.9
177.12796	4.9
177.16396	3.2
179.14275	4.0
183.10178	9.8
183.11574	2.3
185.09631	2.6
185.13271	2.9
187.07556	5.7
187.09666	3.7
187.14821	3.6
189.09128	2.4
189.16425	11.9
193.12309	3.3
199.07587	3.0
199.14835	2.7
201.05525	2.4
201.09198	3.2
201.11203	8.2
203.07004	2.7
203.11784	3.2
203.14293	3.8
205.15845	7.7
206.07280	2.7
207.13821	2.8
207.17569	2.6
213.09077	4.2
214.08707	3.4
217.04897	5.2
217.15828	3.5
223.07642	2.6
227.17958	2.4
233.15265	3.2
241.08589	7.2
259.10916	19.4
262.34579	2.0
273.22003	3.0
277.08557	2.7
283.20782	5.0
289.21600	2.3
291.23169	4.5
292.72424	2.3
301.11832	25.0
301.21533	16.6
305.08246	4.0
319.12793	8.3
319.22675	26.0
337.10434	5.2
337.14270	12.1
337.23779	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	1,15-Dihydroxy-12-oxo-2,6,13-phytatrien-19-al
Peak:m/z	Relative Intensity
53.03931	7.8
55.01865	5.5
55.05510	28.4
57.03434	28.2
59.04997	12.5
67.05503	77.1
69.03431	8.5
69.07064	39.9
71.04975	13.2
71.57570	5.2
71.57947	8.6
73.06559	24.2
76.87640	4.7
79.05492	65.8
81.03394	5.3
81.07059	77.7
83.04968	9.6
83.08620	18.2
85.06541	32.9
91.05479	60.2
93.07047	56.3
95.04977	34.9
95.08606	46.4
96.23357	5.5
97.06532	28.9
97.10176	9.8
99.08101	100.0
105.07043	43.2
107.04961	10.1
107.08595	43.1
109.06532	70.1
109.10137	18.2
111.08099	10.8
117.06985	24.0
119.08581	35.5
121.06548	24.2
121.10145	22.4
123.04352	5.1
123.08065	36.1
125.09597	7.8
127.07554	14.0
129.06990	14.2
131.08571	29.3
133.06508	7.6
133.10121	33.1
135.08072	35.3
135.11694	15.9
141.09096	9.8
143.08618	11.5
145.10144	31.3
147.08064	15.3
147.11684	8.1
149.09622	14.7
151.11172	6.3
153.09071	7.3
155.08600	5.3
157.10202	11.0
159.11708	8.0
161.09645	12.6
161.13216	6.9
163.03891	9.0
163.11220	11.1
167.10744	8.9
171.11711	10.7
173.13284	9.1
175.11180	11.7
183.11696	5.6
185.13318	7.3
201.09065	6.9
213.16478	6.5
217.15851	12.9
233.15338	8.6
237.16365	5.2
245.19052	6.8
246.66977	5.0
249.18364	5.6
255.17474	10.1
263.20078	7.1
273.18503	43.1
275.20068	8.0
279.19571	13.9
281.21271	12.7
287.19965	7.1
305.21088	56.1
319.22601	33.9
326.80823	5.2
337.14093	5.8
337.23459	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2007
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
50.86568	2.7
53.03934	3.6
54.95471	2.5
55.01863	7.6
55.05506	10.8
55.44585	2.8
57.03420	7.2
61.02922	10.6
65.03936	2.9
67.05502	11.2
68.23017	2.5
69.03432	24.1
69.07058	11.4
69.29606	26.8
71.04987	5.9
72.08159	3.6
73.02919	4.4
79.05486	16.4
81.03403	11.1
81.07033	17.9
83.04955	7.3
84.08120	3.5
85.02908	31.1
85.06534	6.0
86.09701	9.3
91.05488	15.7
93.07041	16.8
95.04968	9.1
95.08589	17.7
97.02882	12.9
98.20732	5.2
99.04451	8.0
103.03918	3.9
105.07026	28.0
107.04936	4.9
107.08606	22.4
109.02895	4.7
109.06528	8.8
109.10133	9.1
111.04442	13.0
111.08086	4.0
113.59690	2.6
115.03930	3.5
117.07009	7.1
119.08587	58.2
120.08085	5.7
121.06493	4.6
121.10126	17.1
123.08055	6.3
123.11724	4.3
124.07538	3.2
125.09618	4.6
126.59080	2.6
127.03920	9.8
128.07045	2.7
129.05489	5.4
129.06987	6.0
131.08577	25.7
133.06483	2.9
133.10129	60.2
135.04440	9.7
135.08017	5.0
135.11745	5.1
136.07579	4.4
142.07796	4.2
143.08591	9.6
145.04927	6.0
145.06409	3.2
145.10129	27.8
147.08063	4.8
147.11696	18.0
149.09660	8.4
155.08562	4.6
157.10103	15.6
158.10974	3.6
159.08020	5.7
159.11658	13.7
161.05917	3.3
161.09628	3.8
161.13263	10.4
163.03922	12.8
164.07085	3.8
167.07091	3.9
169.10121	4.7
171.11702	10.0
173.09634	3.1
173.13260	47.3
175.11305	6.5
175.14821	100.0
176.15196	3.7
177.16460	3.8
181.10109	4.1
182.11021	4.1
185.09618	4.3
185.13287	8.2
187.11195	3.0
187.14856	16.2
189.12755	3.9
189.16377	5.1
191.14310	17.4
193.15889	11.7
197.13274	5.0
199.14865	10.7
201.12708	3.4
201.16422	5.4
205.12090	3.5
205.15804	3.9
211.14842	5.2
215.14339	4.5
217.15872	9.2
223.14787	3.8
227.14430	3.3
229.15881	4.8
233.08205	3.2
233.38504	2.8
241.15939	6.1
259.10727	8.8
259.16983	5.8
271.16870	3.0
277.17950	9.4
283.16724	4.3
291.13074	3.3
301.11691	8.1
301.17914	19.9
307.19046	3.1
319.12848	7.8
319.19083	37.7
337.09543	2.9
337.13806	5.0
337.20184	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63311	7.2
56.96558	50.3
59.45958	7.4
61.39722	7.5
69.03413	16.4
70.98093	11.7
71.10757	17.7
85.02901	17.9
88.28349	7.3
94.89626	8.4
97.02904	7.4
98.97580	49.0
103.02452	12.4
116.98617	29.6
119.01920	11.8
121.03511	8.3
128.98608	26.6
133.03468	15.9
165.00708	14.5
170.99667	10.2
174.99115	29.1
175.04518	12.2
175.11618	17.2
177.00732	11.6
189.00655	10.2
193.00221	31.3
217.00215	14.4
235.01215	14.5
236.14101	8.1
237.02901	14.5
247.06708	10.4
249.82118	9.7
263.00763	17.0
302.86981	8.2
337.08633	100.0
358.20911	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88761	2.0
55.01876	3.9
55.05492	5.3
56.96301	4.0
56.96564	45.2
57.03423	4.9
61.02913	7.7
64.52526	2.1
65.34565	2.3
65.65411	2.2
66.14345	2.1
69.03423	12.8
69.07053	7.1
69.80252	7.9
69.80687	7.0
70.07381	3.3
70.85105	2.0
70.98116	3.9
73.02889	2.9
81.03400	6.7
84.96027	11.4
85.02910	31.3
86.03217	7.6
87.04474	3.4
88.04781	2.4
88.95753	2.2
88.99132	6.1
91.03957	2.8
96.08130	29.0
97.02862	11.5
97.08456	20.5
98.03171	2.4
98.96929	4.6
98.97581	82.9
109.02849	2.3
110.09665	3.2
110.97589	19.8
112.99114	18.0
114.09166	43.0
115.09502	29.2
116.98624	48.0
127.03889	6.6
128.04218	2.7
128.97691	3.1
128.98610	34.3
131.00162	30.0
133.01709	8.5
134.99686	12.8
138.09145	6.1
139.09492	4.6
140.98547	3.5
142.96474	2.8
143.00143	4.2
144.98125	4.5
146.99657	25.2
149.01230	20.0
151.02802	4.2
152.98621	4.3
156.10194	5.7
157.10539	4.1
158.99651	14.8
161.01212	7.4
162.99171	3.8
165.00706	7.7
170.99657	10.2
173.01224	6.8
174.11255	69.8
175.02779	7.9
175.11617	100.0
176.09213	8.6
177.00725	16.9
179.02255	2.7
188.97061	7.8
189.00752	8.6
191.02271	8.1
193.00128	2.4
193.03856	5.5
195.01878	3.0
200.02287	2.6
201.00644	3.5
202.98608	4.1
205.00204	2.9
205.04027	3.6
206.98109	6.4
207.01740	5.8
207.03633	3.0
211.05026	3.6
217.03842	4.8
219.01779	25.5
230.98145	6.3
233.03316	4.7
235.04886	2.5
237.02824	61.9
244.99568	3.2
248.99217	3.3
255.03839	5.3
263.00717	9.3
263.04324	2.4
277.05902	16.4
281.05515	2.5
295.07010	83.8
296.57501	2.2
318.08472	3.8
337.08649	54.2
337.16922	41.3
346.48938	2.0
355.08948	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.05506	2.8
56.05829	1.1
56.96563	58.3
57.03438	2.9
61.02914	4.3
69.03423	9.5
69.07051	3.6
70.03750	2.2
70.06569	1.5
70.07404	2.2
70.87927	3.0
70.98106	10.4
71.04991	2.6
71.95259	2.9
73.02914	3.0
74.97620	1.8
81.03409	5.0
82.03745	2.0
84.08150	1.3
84.96033	10.8
85.02906	16.7
86.03233	2.7
87.04458	1.7
88.99165	7.0
91.03962	1.3
96.08117	15.4
97.02897	6.9
97.08467	9.2
98.03213	2.5
98.06057	1.3
98.97579	89.0
102.97050	1.1
107.00169	1.3
109.02885	2.2
110.09676	1.8
110.97554	23.0
112.99135	14.7
114.09162	22.1
115.00689	1.7
115.09514	15.5
116.98611	51.6
116.99456	2.6
120.08118	1.4
124.95515	2.1
126.97026	1.3
127.03922	2.0
128.04301	2.0
128.10689	1.6
128.98599	34.4
131.00160	22.5
131.01779	1.9
132.99869	1.1
133.01744	6.0
134.99648	17.4
138.09129	4.2
139.09474	4.4
140.98631	1.8
142.96532	4.5
143.00139	6.8
144.98132	3.4
145.01717	2.5
145.05035	2.5
146.99634	27.6
147.03255	1.1
148.43309	1.1
149.01215	15.5
151.02795	6.0
152.00143	1.1
152.98610	4.8
153.00656	1.5
156.10150	3.8
156.98091	1.3
157.10567	5.1
158.99673	16.3
160.97578	3.0
161.01204	6.5
162.99109	3.7
165.00739	13.9
170.96004	2.0
170.99619	9.7
173.01241	3.6
174.11252	43.8
174.99118	3.2
175.02795	7.9
175.11600	48.2
176.09189	4.8
176.12874	1.9
177.00713	20.3
177.04251	1.7
179.02296	3.1
183.01721	1.7
184.97586	2.4
187.02774	1.9
188.97084	11.9
189.00688	11.7
189.04262	1.7
189.06100	1.3
189.97359	1.2
190.98688	1.5
191.02260	5.5
193.00211	2.3
193.03896	5.8
195.01860	2.0
201.00764	4.1
202.98631	6.6
205.00279	3.4
205.03876	2.5
206.98103	9.6
207.01747	8.0
211.04805	3.8
212.96980	1.4
217.00224	1.8
217.03819	3.8
219.01770	26.8
219.05180	1.4
220.99666	3.6
223.01196	3.1
225.99940	1.5
230.98160	14.0
233.03333	2.3
235.01215	3.1
235.04866	3.0
237.02806	60.5
244.99602	5.9
248.99132	5.7
255.03928	6.2
260.04514	1.4
263.00729	24.5
275.04419	1.8
277.02405	5.4
277.05969	23.3
279.09500	1.4
281.01779	4.3
281.05304	2.6
286.02261	1.4
295.06976	100.0
296.07364	2.6
301.14789	1.7
305.01950	1.2
318.08569	4.0
334.62643	1.3
336.07318	1.4
337.08304	36.5
337.16916	18.1
338.08990	1.3
345.50043	1.2
355.09070	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43653	0.3
53.03944	0.7
55.01865	0.5
55.05508	2.7
56.05029	0.7
56.96294	0.3
56.96561	4.3
57.03433	1.5
59.04985	0.3
60.95861	0.3
61.02920	2.5
67.05488	0.4
68.05006	0.3
69.03428	6.9
69.07065	4.7
70.06586	0.6
70.28867	0.5
70.29266	0.6
70.98114	0.5
71.04978	0.8
73.02917	1.2
81.03416	3.7
81.07058	0.3
82.06565	0.3
83.73716	0.2
84.08136	0.7
84.96026	0.7
85.02901	13.4
87.04465	1.7
88.04039	0.4
88.99141	0.4
91.03954	0.9
93.07040	0.9
95.08562	0.4
96.08125	23.0
97.02290	0.4
97.02887	5.0
97.08460	0.3
98.97578	6.1
99.04442	0.9
107.00159	0.3
109.02898	1.3
110.09664	2.6
110.97561	1.3
112.99162	0.6
114.09162	34.2
115.09522	0.4
116.98617	4.0
120.08093	0.3
127.03906	3.5
128.10704	1.4
128.98604	3.1
131.00162	1.6
133.01730	0.6
134.99605	1.2
138.09131	7.0
142.96559	0.3
143.00204	0.3
144.98097	0.3
145.04999	1.7
146.99638	2.6
149.01210	1.0
151.02776	0.4
156.10205	8.3
156.11488	0.5
158.99672	1.2
160.97681	0.3
161.01204	0.4
162.99158	0.4
165.00716	0.9
167.22543	0.3
170.99643	0.7
173.01245	0.3
174.11247	100.0
175.02826	0.5
175.11609	2.0
177.00716	1.9
179.02371	0.3
188.97047	0.7
189.00752	1.0
191.02177	0.4
193.00352	0.3
193.03809	0.5
198.11282	0.9
199.90105	0.3
202.98654	0.4
206.98116	0.9
207.01680	0.4
216.12262	0.9
217.00055	0.4
217.03906	0.3
219.01753	2.0
220.99644	0.4
230.98093	1.0
237.02798	5.5
244.99644	0.5
248.99254	0.6
255.03799	0.3
258.13379	0.3
263.00748	2.2
276.14459	1.1
277.02527	0.6
277.05981	1.8
281.01752	0.3
295.06995	7.9
300.14319	1.1
318.15469	1.3
336.16516	24.1
337.08292	2.5
337.16748	0.9
355.09094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63005	0.8
53.05708	0.9
54.76943	0.9
54.96711	0.8
56.96567	4.6
58.56552	0.9
59.10633	1.1
61.02916	1.1
64.43337	0.9
69.03437	4.6
69.68260	3.1
69.68694	4.4
70.06570	1.1
73.02909	1.1
79.05475	0.9
81.03430	1.8
83.04980	1.6
83.06119	1.0
85.02919	6.6
86.09711	1.3
91.05473	1.3
93.07050	0.9
93.35649	0.8
95.04976	1.2
95.08577	0.9
97.02885	5.5
98.97583	7.5
98.98443	3.2
99.04475	1.1
107.04939	2.8
108.05262	1.1
109.02906	1.6
116.98631	6.8
119.01900	3.1
123.04710	0.9
123.05533	6.4
127.03943	1.6
128.98604	1.1
130.08667	1.2
131.01884	3.0
134.99620	4.6
137.05978	2.2
143.01888	2.4
146.99608	3.4
149.06645	1.1
152.07065	1.0
153.00665	1.3
154.08678	1.5
155.01826	2.0
155.09003	2.3
156.10225	1.3
158.01311	1.2
158.99568	1.0
161.01318	1.1
161.02930	4.0
163.02754	1.0
163.04036	1.1
164.05089	1.1
172.09654	1.2
173.02989	2.8
173.06583	2.6
173.07877	4.6
177.00714	2.2
185.06613	1.8
191.07632	2.4
203.07657	2.9
215.07610	1.3
219.01813	2.4
221.05107	1.1
234.99115	1.1
237.02771	8.0
237.04558	0.8
275.09906	6.5
293.10730	3.2
307.07007	3.0
309.08588	1.3
317.11218	1.7
335.13107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.5
56.96562	3.8
65.93961	2.4
67.05505	18.9
67.60057	2.3
69.07049	11.3
69.86732	6.5
69.87150	10.1
79.05471	12.2
81.03413	3.0
81.07060	16.9
83.04985	3.6
83.08598	4.8
83.39050	2.9
91.05473	7.2
93.07034	8.8
95.04991	3.5
95.08606	14.0
97.10124	3.0
105.07004	7.1
107.08572	8.9
109.10133	3.5
109.90933	2.6
117.07030	3.2
119.08600	3.5
121.10115	6.8
131.08560	4.7
133.10159	4.2
147.11702	4.1
196.00748	3.1
227.46619	2.9
233.15450	3.2
243.20868	2.8
261.22174	2.8
335.12744	8.7
335.21802	100.0
335.25217	4.6
336.22009	4.9
353.21512	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.05505	2.4
58.34590	0.7
65.03935	5.1
67.05502	8.3
69.03416	2.8
69.07066	100.0
70.10506	1.4
70.10904	2.5
71.04966	1.1
79.05504	4.1
80.05022	1.1
81.03421	2.0
81.07048	11.5
82.06585	0.9
83.04975	2.3
83.08661	0.9
85.06551	1.4
91.04211	0.8
91.05479	3.2
92.05030	4.0
93.07047	6.2
94.06557	4.0
95.04971	3.7
95.08612	5.6
96.08201	0.9
97.02913	0.8
97.06527	15.3
97.10164	1.2
105.07024	4.6
107.08604	4.6
108.04476	2.0
109.02866	1.7
109.05228	0.8
109.06524	2.7
109.10133	4.3
110.06068	0.9
111.08089	0.9
117.07028	1.8
119.03741	1.0
119.08589	2.5
120.04495	0.9
121.06529	1.6
121.10165	2.7
122.06026	8.8
123.11676	1.3
124.07598	2.2
125.06026	1.3
129.07005	1.4
130.06514	1.0
131.07297	1.7
131.08591	1.7
133.10127	2.7
135.08037	2.4
135.11700	1.6
137.05983	3.1
137.09618	2.5
138.05507	6.0
139.07536	1.1
140.07048	9.7
143.07289	1.2
143.08536	1.7
144.08090	3.5
145.06427	0.9
145.08875	2.5
145.10136	2.7
146.09625	2.7
147.06720	1.3
147.08136	0.8
147.11719	1.4
148.03935	1.8
149.09636	1.4
149.13266	1.3
150.05501	71.3
151.11176	1.7
152.03333	0.9
157.08876	3.7
157.10095	0.8
158.05988	0.9
158.09718	1.7
159.10490	1.3
159.11685	1.6
160.07579	2.0
161.08406	4.2
161.09547	1.4
162.09129	2.3
163.11220	1.1
165.04144	1.0
166.05008	27.9
167.07402	0.9
168.06633	1.1
170.09586	1.0
172.07588	3.3
172.11223	4.0
173.08321	2.4
173.09634	1.3
173.13321	1.0
174.09135	1.9
174.12772	5.5
176.03419	8.9
178.05064	2.0
181.06094	0.9
184.07472	0.9
185.08405	1.5
186.05603	0.9
186.07582	1.3
187.14853	1.5
188.10649	1.4
190.08623	1.1
190.12263	5.2
194.04456	2.6
198.07719	1.2
198.09303	1.4
200.06807	0.9
200.10754	7.0
202.12239	7.3
204.06544	0.9
205.15869	1.1
216.10231	4.1
218.08250	1.6
218.11763	30.1
228.10214	14.7
229.13336	2.2
234.11334	2.4
243.11372	1.9
244.09770	1.9
245.12817	2.0
246.11247	22.4
255.11224	1.5
256.09680	1.9
257.09244	1.9
261.08804	0.9
261.12146	1.5
271.07825	0.8
271.10782	5.2
272.09149	2.6
273.12350	2.9
274.10782	1.5
287.10251	8.4
288.10837	0.9
289.11841	9.5
289.21750	1.0
299.10114	4.9
317.11319	24.5
317.17133	1.0
317.21011	1.2
335.12387	13.4
335.22217	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89539	1.3
64.88805	1.3
65.03915	1.6
68.34948	1.3
69.03397	1.4
70.06593	1.5
71.24230	2.9
75.28999	1.2
79.05489	1.8
81.07056	1.3
84.04546	1.6
88.82066	1.1
90.04711	1.2
91.05472	2.0
94.06606	1.6
95.04987	1.4
96.04469	2.3
110.06001	1.6
115.05487	1.2
117.07035	2.2
118.06558	1.9
119.08530	1.3
120.04538	1.7
122.06014	3.9
124.03955	2.0
124.07637	1.7
126.05527	1.6
129.07013	2.1
131.08569	1.3
132.08107	2.7
136.07568	5.8
138.05496	1.9
140.06993	1.4
144.08138	3.5
145.08786	2.1
146.05942	1.6
146.08371	1.5
146.09616	2.0
147.06429	1.5
148.07526	1.4
150.05463	1.7
153.06952	1.8
155.07283	1.9
156.08127	2.8
158.09653	4.2
160.07541	3.4
164.07083	2.8
168.08014	1.6
170.09679	3.9
172.07582	11.9
172.09909	2.9
172.11238	1.5
173.10757	2.9
174.09157	2.4
175.08641	4.3
183.06798	1.6
183.09148	1.6
184.07555	10.2
186.07751	1.8
186.09189	7.7
187.08649	2.2
187.12289	5.2
188.07051	4.4
189.07376	4.0
189.10233	6.7
198.09146	12.3
199.08682	3.3
200.07076	16.1
200.09441	4.6
201.10220	16.9
211.08656	4.3
212.07098	3.0
213.06436	2.3
214.06993	1.8
214.08754	3.3
215.08417	1.8
215.11780	15.0
217.09721	8.4
225.10320	3.7
226.08597	5.1
227.08150	8.0
228.06525	3.2
228.08640	2.0
229.09731	32.6
230.10420	1.8
241.09654	2.6
242.10474	3.2
243.07581	2.0
243.11269	28.2
243.13634	2.2
245.09209	35.1
253.09750	8.1
256.08496	1.8
257.09216	13.1
258.10034	3.8
259.10828	9.8
261.12384	2.8
271.10767	100.0
272.11133	3.1
273.12296	2.5
275.10172	2.3
281.09174	13.9
285.21402	1.6
287.10266	30.1
288.11002	2.5
289.11722	15.2
299.10226	24.8
305.11343	8.2
317.07709	1.9
317.11310	29.3
335.12332	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.01863	1.2
55.05501	1.8
56.05046	1.1
64.28910	1.0
67.05496	1.7
69.03436	2.2
69.07063	1.0
69.25031	10.5
70.06591	2.4
72.08149	5.4
74.13921	0.9
78.73317	1.0
79.05499	2.0
79.15870	0.9
80.39773	0.8
81.03403	1.6
81.07047	2.9
82.07392	0.9
84.04494	2.7
84.08153	2.1
85.02912	1.7
91.05490	10.0
92.04969	1.2
93.07050	2.3
94.06576	1.8
95.04954	1.8
96.04475	1.1
105.07035	1.9
107.08611	1.5
108.04490	1.9
109.10148	1.3
110.06003	1.9
115.05448	1.6
117.06967	1.5
118.06548	1.9
119.08504	1.2
120.04500	1.1
120.08095	1.8
122.06052	4.2
124.03963	1.4
124.07545	1.1
129.06993	2.0
129.17284	0.9
130.06516	1.2
131.08589	1.1
132.08089	1.3
136.07541	5.7
141.07011	1.6
143.07323	1.7
143.08508	1.4
144.08112	3.5
145.07568	1.6
145.08620	1.2
146.06012	2.3
147.06387	1.5
148.03940	1.5
150.05449	1.7
156.08112	4.0
157.08858	1.8
158.08469	1.9
158.09645	2.3
160.07611	3.9
160.11198	1.0
162.09085	1.4
164.07089	2.1
167.07268	1.4
168.08115	1.4
170.09657	4.5
171.09215	1.2
172.07591	10.3
172.09943	3.5
172.11272	1.9
173.10751	4.4
173.13199	1.6
174.07803	1.9
174.09146	2.9
175.08707	5.5
175.14801	1.1
180.07959	1.2
182.08273	1.7
183.06801	1.6
184.07549	10.0
186.07762	1.5
186.09181	7.4
187.08656	1.5
187.12323	7.4
188.07076	2.6
188.09386	1.2
189.07436	3.4
189.10182	5.4
191.14308	1.4
197.10751	2.4
198.09152	11.5
199.08563	5.2
200.07079	10.7
200.09409	5.9
200.11002	1.4
201.10199	11.2
202.08684	2.4
202.10829	1.0
211.08621	3.5
212.07224	4.8
212.09135	1.2
213.06560	2.9
213.10213	1.8
214.08633	4.7
214.10646	1.2
215.08246	3.7
215.11781	19.8
216.08873	1.0
217.09747	7.7
225.10188	3.2
226.08607	3.6
227.08139	11.1
228.06718	1.9
228.08679	2.3
229.09731	32.8
230.10228	1.7
239.08174	2.4
241.09766	3.4
242.08298	1.9
242.10544	4.3
243.11299	31.9
245.09227	32.7
253.09741	8.6
254.08170	1.3
255.11343	1.1
257.09216	12.0
258.09924	2.6
259.10767	9.2
261.12332	1.7
271.10773	100.0
272.11151	1.5
273.12207	3.4
274.10352	1.2
281.09216	10.3
287.10236	32.0
288.10986	2.3
289.11789	15.6
299.10278	26.1
305.11322	7.2
317.11331	20.0
317.21671	2.4
335.12524	7.4
335.18845	2.1
335.22623	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05502	5.5
56.96560	2.3
67.05495	5.2
69.03435	11.6
69.07057	7.7
70.06586	6.2
71.04971	2.6
71.57739	2.7
72.04519	3.9
72.08121	3.3
74.09404	1.9
79.05492	2.9
80.05025	2.1
81.03408	5.9
81.07052	5.0
84.08138	6.5
85.02886	11.2
86.09698	3.3
88.07632	14.0
88.26704	2.2
89.02383	7.9
91.05466	7.2
93.07054	5.4
95.04945	2.3
97.02901	3.0
98.97568	3.8
99.04409	3.8
100.03979	3.9
105.07027	4.6
109.02888	3.2
109.10139	3.1
111.04411	2.9
111.07990	2.1
113.02340	4.1
114.96562	2.1
115.03873	2.1
115.05460	3.9
116.98600	3.8
117.05782	3.9
117.07014	5.0
118.05062	3.7
118.06542	42.0
119.08559	2.5
122.06055	4.4
123.05527	2.2
127.03886	6.5
129.06998	2.6
130.06502	5.1
131.03386	12.2
131.08571	3.4
132.08092	58.8
134.99623	2.8
136.07573	6.1
137.09657	3.0
142.06496	4.7
143.07338	4.7
143.08476	2.4
144.08078	22.9
146.06015	84.7
147.04390	2.4
156.04715	2.8
156.08133	4.1
160.07674	4.5
163.03931	6.9
164.07018	4.9
170.06003	6.9
172.07544	5.8
174.09181	6.2
174.11171	2.5
175.08650	3.6
184.07541	6.0
186.09183	5.1
187.12292	4.7
188.07060	100.0
189.10216	3.1
198.09166	8.0
200.07162	10.9
200.09117	3.1
200.89728	2.4
201.05309	2.7
201.10243	10.2
204.05019	9.2
214.08752	5.5
215.11737	11.8
217.09782	3.5
226.08607	6.5
227.08185	6.7
228.08897	3.7
229.09717	19.4
231.11240	3.0
231.55737	2.4
232.09785	2.6
234.98938	4.6
237.02628	2.9
241.09727	3.2
243.11290	28.9
245.09219	22.4
253.09698	3.9
257.09183	9.8
259.10852	9.3
271.06161	4.5
271.10770	70.8
272.11176	2.2
273.12460	3.3
281.09259	6.9
287.10287	23.3
289.11865	18.5
290.99878	2.4
299.10297	21.0
305.11417	5.7
317.11353	24.6
335.12378	18.3
335.15897	4.9
335.22662	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.6
61.56557	5.8
69.07095	5.3
71.58057	6.5
71.58553	9.6
72.08125	17.0
82.12467	5.4
86.31751	5.6
94.06570	9.6
98.06036	19.1
98.54012	5.8
122.72450	5.9
128.69095	5.3
134.09662	7.0
136.11191	15.5
210.78255	5.3
235.25903	6.1
332.59698	5.5
334.27448	100.0
334.31064	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65530	15.8
69.65589	100.0
75.93079	14.7
76.05344	15.0
97.02872	19.1
105.82980	12.4
115.82281	13.6
116.26659	14.1
123.05566	59.6
150.71437	14.8
206.55765	15.4
248.18846	16.1
335.07184	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65530	15.8
69.65589	100.0
75.93079	14.7
76.05344	15.0
97.02872	19.1
105.82980	12.4
115.82281	13.6
116.26659	14.1
123.05566	59.6
150.71437	14.8
206.55765	15.4
248.18846	16.1
335.07184	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
56.78138	8.4
69.27276	100.0
69.27688	25.6
79.38124	10.9
87.63355	10.1
94.48927	9.8
175.40993	10.9
335.07358	60.4
335.11017	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01854	1.3
55.05499	5.3
57.07080	1.6
65.03935	4.7
67.05503	14.1
69.03421	6.5
69.07066	100.0
69.62063	4.5
69.62486	5.9
70.07407	1.4
71.04993	2.1
75.34332	1.3
79.05484	8.1
81.03399	2.7
81.07053	20.4
83.04989	8.9
85.02888	5.4
85.06492	1.6
91.05476	7.4
92.04993	4.3
93.07031	11.2
94.06577	3.9
95.04957	11.9
95.08601	10.2
97.06534	21.6
105.07021	10.2
107.08582	11.6
109.02862	4.9
109.06506	7.4
109.09453	1.9
109.10142	14.4
111.04445	5.1
111.08076	2.7
117.06995	3.9
119.08614	9.4
121.06492	4.2
121.10137	11.2
122.06026	9.0
123.04382	1.9
123.08045	1.9
123.11716	3.8
124.07568	3.1
125.05985	4.1
125.09583	2.2
126.15021	1.3
129.07021	2.6
131.08522	3.8
132.08072	1.7
133.10143	11.5
135.08017	3.3
135.11667	5.6
137.05963	5.2
137.09628	10.4
138.05475	5.8
139.07535	1.7
139.11180	2.3
140.07053	10.5
141.08949	1.5
143.08566	3.1
144.08090	3.5
145.06386	2.0
145.08981	2.3
145.10098	8.4
146.09669	4.2
147.07959	2.1
147.11670	5.3
148.03905	2.0
149.09587	9.0
149.13216	2.5
150.05502	74.5
151.11185	2.9
157.08881	3.7
157.10143	2.6
159.08022	3.2
159.10446	1.6
159.11656	4.9
160.07579	1.7
161.08347	4.6
161.09546	2.7
161.13289	1.9
162.09184	2.0
163.11162	2.6
166.04999	29.0
168.06493	2.5
171.11659	3.8
172.07626	2.0
172.11224	3.4
173.08284	2.2
173.09641	3.7
173.13277	4.1
174.09244	2.1
174.12758	5.1
175.11182	2.9
176.03427	6.5
177.09117	1.7
177.12723	1.7
178.05052	2.1
185.13266	1.6
186.07504	1.8
186.09081	2.2
187.11211	2.3
187.14813	2.6
189.09019	1.7
189.12822	2.5
190.08537	1.8
190.12242	3.2
191.10701	2.3
192.02950	1.8
194.04472	4.3
200.10667	5.9
202.12260	7.4
203.14256	2.1
216.10164	5.0
218.11754	29.8
228.10181	18.4
229.13319	1.6
233.15283	2.8
234.11243	2.8
239.18001	1.8
243.11189	2.3
244.09647	1.5
246.11246	25.3
254.08311	1.5
259.10901	1.8
271.07132	1.5
271.10892	7.7
272.09192	4.2
273.12369	2.4
274.10861	2.5
277.14621	1.9
287.10132	7.8
289.11847	11.4
299.09970	6.6
299.19916	1.9
317.11356	19.6
317.17261	2.9
317.21002	2.1
335.09158	2.0
335.12488	16.3
335.18524	5.3
335.22086	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
53.34156	1.1
55.01857	2.7
55.05259	2.2
55.05509	22.7
56.05014	2.2
57.07073	2.8
58.06580	3.9
60.04524	2.9
65.03935	1.7
67.05499	23.0
68.05020	3.6
69.03426	2.9
69.07067	15.8
70.06590	1.3
71.08627	1.4
72.08113	1.3
74.06036	1.7
79.05487	12.1
80.05010	6.8
81.07051	16.3
82.06548	2.8
83.04969	2.2
83.08612	10.1
84.08152	1.6
88.07617	11.7
91.05466	15.8
93.07040	9.1
94.06569	9.0
95.04987	2.5
95.07314	1.9
95.08611	18.7
96.04491	1.6
96.08128	2.0
97.10162	15.6
104.07079	2.6
105.07034	15.1
107.08607	10.2
108.08096	4.4
109.06541	1.6
109.10157	5.8
110.06030	39.1
111.06839	2.0
117.07026	4.2
119.08565	11.6
120.08099	2.3
121.10147	2.7
122.09653	2.0
123.08105	1.9
125.09589	9.2
131.08565	3.8
132.10216	3.7
133.10114	11.5
134.09634	3.9
135.08006	2.2
136.11191	2.5
136.86137	1.1
137.09560	1.4
143.08647	1.4
145.10100	3.1
147.11694	4.5
150.12808	1.3
153.09113	2.1
153.40276	1.3
159.11690	2.6
161.13213	3.0
163.11194	1.2
164.14349	1.4
171.11801	1.7
189.11195	4.4
204.13821	2.7
206.15427	1.5
208.13316	2.7
220.17078	1.7
222.14857	2.5
228.11525	2.0
234.14796	2.8
238.14360	5.0
239.18010	1.7
242.24768	10.5
246.12526	4.0
246.22192	1.3
257.18976	3.5
258.12518	1.8
258.80475	1.3
274.21637	11.1
275.19995	16.9
286.27353	3.2
292.22702	32.6
311.07938	2.3
316.19388	2.1
316.22717	11.8
334.20343	13.4
334.23743	100.0
334.29492	26.7
335.12750	6.8
335.24179	5.5
352.20416	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37785	1.2
53.03939	1.9
55.01865	2.2
55.05501	6.0
56.05030	1.5
57.03439	1.5
60.44386	1.2
61.82985	1.2
67.05499	22.9
67.96443	1.7
69.03432	7.4
69.07070	13.0
70.06567	4.3
70.13096	2.7
70.13511	4.4
71.04993	8.0
79.05492	27.1
81.03403	4.6
81.07057	33.7
83.04975	7.1
83.08617	3.3
84.04513	13.0
85.02889	6.3
85.06521	3.8
86.09705	1.9
91.05477	19.8
93.06131	1.6
93.07037	37.0
95.04967	5.2
95.08604	22.3
96.04498	6.2
97.02871	4.0
97.06530	7.3
97.10147	2.4
99.04463	2.3
99.08076	1.7
102.05527	4.1
105.07027	19.0
107.04956	7.4
107.08600	19.5
109.02849	1.5
109.06524	3.5
109.10186	3.2
110.06032	5.1
111.04427	1.7
111.08060	3.2
116.07078	1.6
117.06965	7.9
118.66958	1.2
119.08578	24.4
120.08104	2.2
121.06493	10.3
121.10127	15.6
123.08074	5.3
124.07565	3.8
125.06026	3.2
127.03912	5.6
129.05463	1.7
129.07010	6.0
130.06502	2.0
131.08569	16.1
133.06490	1.8
133.10110	11.2
135.08087	6.7
135.11696	7.3
136.07565	2.3
137.09615	6.2
138.09132	5.9
139.07549	7.3
141.06898	2.1
143.08545	9.8
144.09102	1.3
145.06514	2.1
145.10135	5.9
147.08038	6.0
147.11714	2.0
149.09631	8.0
152.10637	3.1
153.09084	4.2
155.10643	2.4
157.10115	5.6
159.11693	5.1
161.09656	9.7
161.13272	10.5
163.11127	1.8
167.08551	2.8
171.11673	3.9
172.09698	3.5
173.13106	1.5
175.14842	9.8
179.10609	2.7
181.10027	2.7
183.11723	3.9
185.13220	20.5
188.07039	2.9
199.14824	5.7
203.14345	9.0
209.13297	9.4
217.15857	4.1
221.15356	16.8
226.03355	1.4
227.14322	12.8
229.09636	1.5
235.16994	3.4
236.20120	4.1
238.18037	4.0
239.16420	21.4
243.11281	2.8
245.09149	2.3
245.15390	17.4
254.21121	3.1
256.19009	1.6
262.18036	8.7
263.16428	12.3
271.10782	6.5
280.19006	2.4
281.17267	2.4
284.10950	1.8
287.10202	1.8
289.11829	2.3
298.20074	2.7
299.10281	4.4
316.21173	61.7
317.11368	4.5
317.21390	1.8
334.15680	3.1
334.22223	100.0
335.12680	1.7
335.22595	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01871	2.9
55.05500	6.3
56.05009	1.3
56.13136	1.4
57.03419	1.7
57.38833	1.3
63.36054	1.5
65.03937	1.6
67.05501	22.4
69.03415	5.6
69.07079	7.1
69.82303	7.1
70.06581	3.0
71.04981	5.0
79.05058	2.6
79.05488	33.8
81.03406	2.6
81.07056	29.7
82.06549	2.2
83.04969	4.8
83.08614	2.8
84.04500	17.3
85.02888	4.8
85.06531	4.9
91.05473	19.4
93.07042	37.2
95.04977	6.9
95.08051	2.3
95.08600	24.3
97.02888	2.1
97.06520	6.3
98.06019	1.6
98.21485	2.2
98.98495	1.8
102.05541	4.8
105.07025	16.3
107.04939	5.8
107.08587	19.0
109.06507	6.0
109.10136	5.4
110.06020	4.7
111.08054	5.5
117.07008	10.3
119.08572	23.5
121.06516	10.1
121.10135	15.6
123.04468	1.7
123.08054	4.6
124.07581	5.5
125.05931	1.5
127.03861	1.6
129.06969	5.3
131.08585	13.2
133.06477	2.2
133.10109	11.0
135.08057	8.1
135.11691	5.5
137.09613	5.5
138.09142	6.7
139.07527	5.8
143.08546	10.7
145.10124	5.3
147.08069	7.0
147.11703	3.5
149.09627	7.7
149.13275	1.8
152.10686	2.6
153.09145	2.6
157.08925	1.8
157.10089	7.7
159.11703	2.9
160.22516	1.6
161.09621	8.8
161.13248	9.9
161.34839	1.3
163.11159	2.4
165.09100	1.6
167.08568	3.8
168.26065	1.7
171.11736	3.0
173.13257	6.1
175.08662	1.4
175.14835	11.1
179.10677	2.2
181.10056	3.5
183.11707	3.0
184.07587	2.2
185.13231	12.3
187.12439	2.1
188.07025	2.3
191.14330	2.0
198.09140	1.9
199.14830	5.9
201.10246	2.8
203.14297	5.9
209.13347	8.4
215.11757	2.9
216.57204	1.4
217.09764	2.9
217.15953	2.6
221.15340	13.9
227.08281	2.3
227.14276	11.8
229.09698	5.5
235.17018	1.8
236.20070	6.1
238.18077	3.6
239.16379	13.6
243.11234	3.5
245.09225	4.6
245.15379	17.5
257.09167	2.3
262.17987	7.3
263.16452	11.3
271.10760	13.6
281.09293	2.1
287.10217	4.7
289.11771	4.3
299.10211	4.0
316.21191	53.5
317.11264	6.3
317.21234	1.7
334.22217	100.0
335.12357	3.6
335.18683	2.7
335.22586	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.63535	1.2
55.01854	2.5
55.05503	3.5
56.05035	2.6
60.04511	1.2
65.03935	2.4
67.05170	1.7
67.05503	20.1
67.88516	1.2
69.03413	4.3
69.07050	4.8
69.37631	11.9
70.06586	2.1
71.04986	5.7
75.82700	1.2
77.03890	1.2
79.05059	2.1
79.05494	26.6
80.05772	1.2
81.03429	2.1
81.07058	27.1
82.06551	1.9
83.04967	3.9
83.08621	2.6
84.04510	20.2
84.08102	1.3
85.02881	1.8
85.06526	2.9
86.09694	3.7
91.05476	18.7
93.07045	27.3
95.04971	4.9
95.08616	15.3
96.04482	1.5
97.06522	5.6
97.10170	1.3
98.06057	2.1
102.05537	7.0
104.75905	1.1
105.07037	13.2
107.04934	3.9
107.07211	1.3
107.08601	15.4
108.08130	2.1
109.06533	4.4
109.10124	2.1
110.06046	2.3
111.04434	2.1
117.07030	8.3
118.06500	2.4
119.08577	18.8
120.08109	2.0
121.06536	6.1
121.10149	13.9
122.06037	1.2
123.08081	5.8
124.07604	5.6
128.06175	1.9
129.06976	5.2
131.08577	12.2
133.10133	11.1
135.08035	8.6
135.11682	3.6
136.07590	3.1
137.09575	2.9
138.09134	9.0
139.07515	4.6
141.06952	1.3
143.07339	1.3
143.08531	6.7
144.08046	1.9
145.06454	1.9
145.10081	4.3
146.06007	3.9
147.08052	5.5
147.11772	1.7
149.09622	7.4
151.11240	1.7
152.10715	2.6
153.09097	2.5
154.12286	3.0
155.29292	1.6
157.10097	5.5
159.11697	5.3
161.09618	6.9
161.13239	6.3
163.11206	2.5
167.08588	1.8
172.07616	3.2
172.13342	3.0
173.10770	1.8
173.13248	4.1
174.09196	1.5
175.14850	6.2
179.10616	1.5
181.10144	4.4
183.11623	2.2
184.07675	1.8
185.13252	10.8
186.09161	1.4
187.12267	1.8
188.07074	10.0
189.10396	1.7
191.14316	2.2
194.58000	1.3
198.09207	3.4
199.08687	1.7
199.14769	6.3
200.07097	3.0
200.09383	1.8
201.10243	4.4
203.14349	5.4
205.09723	2.5
209.13274	8.9
211.08701	2.2
215.08208	1.5
215.11804	4.8
217.15926	2.5
218.25269	1.3
221.15327	9.5
227.08264	2.0
227.14297	11.8
229.09764	8.6
234.18518	2.7
235.16942	4.3
236.20132	4.0
238.17958	3.4
239.16333	8.9
243.11322	10.4
245.09229	11.0
245.15414	13.2
253.09679	3.6
254.21095	4.5
257.09235	3.6
259.10846	3.6
262.18036	4.3
263.16400	8.5
271.10794	32.1
280.19180	1.6
281.09302	3.8
281.17386	3.1
287.10297	8.1
289.11847	4.7
298.12393	1.5
299.10333	6.9
316.21201	52.1
317.11508	7.6
317.21521	2.9
334.22241	100.0
335.12366	4.8
335.22614	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98429	1.9
55.05507	3.5
56.69063	2.0
57.03432	2.2
63.26649	1.9
67.05507	10.5
69.07068	4.8
69.86546	12.9
72.04503	3.5
79.05487	8.1
81.07071	9.9
91.05441	6.1
93.07048	8.7
95.08607	9.9
105.07024	7.2
107.08559	4.4
109.06520	3.7
109.10147	3.8
117.07040	2.0
119.08583	6.5
133.10149	2.6
135.08084	2.3
156.25728	2.2
162.27907	2.2
165.12839	3.9
178.12286	3.7
217.18781	2.4
220.16937	2.6
289.21567	3.1
316.22937	3.4
334.20667	100.0
334.24008	10.1
353.29181	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56039	6.9
64.21328	7.8
69.97268	22.5
69.97704	25.4
76.86102	7.5
80.14283	7.2
83.72339	7.3
84.57909	7.8
100.46471	6.8
101.25426	6.4
112.89609	68.1
133.39560	8.3
136.94070	9.9
138.93837	12.2
140.66496	7.9
242.78200	8.4
334.08932	100.0
336.83984	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
55.05504	7.3
56.05011	1.3
57.03424	3.0
61.02922	3.3
61.88756	1.5
67.05497	3.1
69.03423	10.7
69.07079	1.6
70.06578	4.1
71.04976	5.8
71.40123	3.3
79.05492	8.1
81.03413	3.5
81.07052	25.1
83.08624	7.0
84.04519	1.8
84.08136	2.0
85.02906	18.7
85.06548	5.2
86.09713	2.2
91.05474	5.0
93.07020	5.2
95.04993	2.0
95.08617	3.0
95.72270	1.5
97.02885	9.3
97.06530	2.3
98.06038	3.6
98.09695	3.3
99.08093	3.6
107.08597	1.6
108.08134	5.4
109.02884	3.6
109.06521	21.4
109.10168	1.8
119.08635	2.1
121.10059	1.7
124.07597	2.0
126.09154	48.1
127.03918	2.6
127.07565	18.8
133.90715	1.8
136.07533	2.9
137.06013	3.8
138.09148	1.8
140.10672	3.1
145.04939	2.3
154.08630	61.2
155.07030	42.0
155.08951	2.3
158.11765	5.4
172.09688	100.0
173.10049	2.1
175.14764	1.3
175.83757	1.5
184.79924	1.6
219.75443	1.7
237.02925	2.0
316.21207	4.3
334.15323	3.3
334.22083	8.9
335.12552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52380	3.3
72.58665	0.8
79.05489	1.9
81.07047	2.0
91.05452	0.8
98.98460	2.3
100.98906	0.9
105.07018	2.3
107.08608	1.4
119.08588	1.2
173.13223	0.9
199.27728	1.0
227.11221	1.9
245.12421	2.1
248.65300	0.9
315.18323	1.9
333.20349	100.0
334.20609	2.2
334.29602	2.2
351.20135	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92393	1.3
67.05521	1.3
69.07060	1.5
70.30663	1.1
77.00910	3.4
78.35666	1.1
79.05473	1.4
81.07042	2.5
95.01969	1.8
98.98476	4.2
105.07055	1.9
105.79385	1.4
132.64293	1.5
193.05162	1.7
195.09917	8.0
201.09732	2.8
213.09805	2.0
219.10710	1.8
239.11151	2.0
257.12363	6.5
315.18225	3.1
333.20383	100.0
351.20340	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75978	1.1
54.09166	1.2
69.07067	1.9
70.64565	4.6
79.05492	2.0
89.07143	1.3
98.21121	2.5
98.98473	2.3
148.74736	1.4
149.45544	1.2
201.09671	1.4
204.15331	1.6
219.10744	1.3
239.11348	1.8
247.13202	2.2
248.88843	1.3
255.80725	1.4
257.12332	4.4
268.02841	1.3
315.19284	8.9
333.20367	100.0
351.20282	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67720	0.9
67.40538	0.9
69.36079	5.5
69.36501	3.8
87.47819	1.0
88.13596	0.8
98.20900	2.7
98.21554	2.0
109.10079	0.8
164.71791	0.8
180.20616	0.8
195.10010	1.5
198.86797	0.8
268.08032	0.9
268.11646	0.8
315.18414	1.3
333.20389	100.0
334.20654	2.0
339.09277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.78230	1.8
53.03937	7.2
55.01863	7.0
55.05514	12.1
56.05027	3.5
57.03436	11.2
57.07070	12.2
59.04984	8.0
61.02922	9.0
65.03928	3.6
67.05183	2.2
67.05505	37.4
68.05840	2.1
69.03427	70.1
69.07068	22.0
70.06569	8.4
70.06906	1.7
71.04990	15.0
71.57440	2.4
72.10704	1.9
73.02904	4.6
74.06082	2.8
74.69634	1.6
77.22410	1.7
78.03082	1.7
79.05489	17.7
81.03422	15.8
81.07063	32.5
81.34953	1.7
82.07379	2.5
83.04984	4.2
83.08612	7.0
84.04500	3.8
84.08137	5.9
85.02903	77.8
85.06535	15.3
85.08447	2.1
86.09695	11.2
87.04456	2.4
87.05576	2.7
87.10043	5.0
91.03946	4.7
91.05487	13.9
93.07037	22.4
95.04960	15.6
95.08603	64.9
97.02892	23.7
97.06519	11.7
98.98461	17.6
99.04449	6.3
99.08091	19.6
103.05459	1.9
105.07016	10.7
107.04945	3.0
107.08594	18.2
109.02883	15.1
109.06544	11.1
109.10155	29.8
111.08074	10.2
111.11673	3.8
113.09644	48.6
115.05496	1.7
115.07561	6.2
116.98537	2.0
117.07033	4.6
119.04973	2.2
119.08569	7.9
121.06479	5.0
121.10130	8.7
123.08052	2.2
123.11658	3.2
125.09599	3.3
127.03932	11.2
127.11194	36.0
129.06985	2.4
131.08536	4.7
133.06465	4.9
133.10126	8.6
134.80643	1.9
135.04494	2.1
135.08063	3.0
135.11700	21.0
137.05931	2.8
137.09584	4.3
137.13277	3.2
140.07043	2.6
141.09091	1.9
141.19258	2.2
143.08620	2.5
145.04951	14.5
145.06479	2.9
145.10162	2.3
147.04405	8.2
147.11681	5.3
149.05983	3.9
149.09518	2.9
149.13231	3.3
152.07065	100.0
153.12740	62.1
155.14275	4.6
159.08003	2.6
159.11734	2.3
161.13173	3.3
163.03928	9.7
163.14792	2.6
164.07048	3.2
165.07022	3.5
166.04997	2.4
171.13792	33.7
173.12965	6.6
174.13185	5.3
179.03378	4.3
179.07024	2.3
181.04962	6.4
201.08864	2.0
221.41805	2.0
225.20457	3.6
227.11812	3.2
229.08636	5.2
243.21065	5.0
273.12207	3.5
279.25333	9.1
297.26364	11.1
301.11893	17.8
315.12820	3.1
315.19662	3.7
315.27396	11.6
333.14404	3.6
333.20160	4.1
333.24960	2.4
333.28247	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
55.16814	1.0
56.96561	37.2
66.92172	0.9
69.07070	1.6
69.70045	7.1
71.95266	5.7
72.96021	1.8
74.97594	2.2
77.21511	0.9
79.05462	1.4
81.07074	1.1
84.96013	1.3
88.07610	1.0
91.05445	1.5
93.07019	1.7
96.08752	1.1
97.96774	3.5
98.98425	3.1
103.97600	1.1
105.00107	1.1
105.06998	2.9
110.97552	6.2
112.79932	1.0
115.97815	3.4
116.98557	1.7
117.06976	1.2
118.40063	0.9
119.08559	3.1
123.01162	1.7
128.98595	18.5
130.01950	1.0
131.00020	3.1
131.08568	1.4
133.10147	1.4
133.98770	1.0
137.02655	1.1
140.98447	3.0
143.00084	1.9
145.10060	1.2
146.99625	19.5
152.00002	1.1
154.99963	1.5
155.03780	1.6
157.01610	1.0
159.87424	1.0
161.01184	4.0
165.00696	4.5
167.00026	2.2
169.01654	1.3
174.99026	2.6
185.01007	2.0
189.00513	3.4
189.04294	3.5
193.03790	1.4
201.00504	0.9
203.02083	2.0
203.05881	2.6
215.02005	1.3
241.11058	2.7
245.10660	1.6
259.12170	1.6
263.09476	4.2
265.11307	1.3
271.99734	1.1
277.11124	1.3
281.10620	1.5
282.11288	1.9
283.12408	1.3
285.11771	1.3
303.12595	2.6
315.16269	49.2
316.16495	1.4
331.15744	3.8
333.17285	100.0
333.31754	2.8
334.17551	3.6
351.18399	21.6
356.18985	12.2
357.19327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95168	0.3
55.08529	0.3
60.04488	0.4
65.01216	0.3
67.05486	0.7
69.03410	0.3
69.07065	0.4
70.06580	1.2
70.92897	1.0
73.54626	0.3
79.05492	0.8
81.03416	0.4
81.07021	0.6
84.08146	0.5
85.02868	0.8
93.07023	0.8
95.04985	0.6
95.08616	0.6
97.02880	0.4
97.06567	0.4
98.06139	0.3
98.98473	4.4
100.07549	0.8
105.07023	1.0
110.71706	0.3
121.06487	0.5
121.10064	0.4
121.65621	0.3
123.07914	0.3
127.79044	0.3
128.94077	0.3
135.08026	0.6
138.05467	0.7
146.06018	0.6
150.05528	1.2
163.03862	0.6
169.07588	0.8
171.09918	1.5
197.07018	1.9
227.08116	0.4
234.98911	2.1
242.08176	0.3
243.07492	0.7
252.99963	0.5
269.09158	0.4
273.08743	0.9
309.30414	0.4
315.05310	0.4
315.05905	0.5
315.09702	3.4
315.13025	0.6
333.15179	100.0
334.15598	1.6
334.22171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05308	0.4
55.05513	5.2
56.05032	2.6
57.03431	3.9
57.44172	0.5
58.06588	1.1
65.03954	0.5
66.93151	0.4
67.05172	0.8
67.05502	10.5
69.03415	0.8
69.07064	4.0
70.06587	6.4
71.02692	1.0
71.04988	1.9
72.08140	1.6
74.06079	3.6
75.04473	2.5
79.05493	7.9
81.03407	0.6
81.07055	10.9
82.06574	0.7
83.04977	1.0
83.08595	2.0
84.04492	1.4
84.08133	6.2
85.06525	0.6
86.06064	1.6
86.09696	1.7
87.04442	1.4
88.34221	0.5
91.05470	4.5
93.07030	7.1
94.06544	0.6
95.04956	1.3
95.08598	7.0
96.08118	4.0
97.06513	1.3
97.08887	0.4
98.06042	1.6
98.09686	4.1
98.98462	2.8
104.07133	0.6
105.07022	3.2
107.08595	3.1
108.08101	1.9
109.02823	0.5
109.06518	0.6
109.10130	2.9
110.09663	1.7
111.08068	0.7
112.07600	0.5
114.09151	1.4
119.08568	1.9
121.10132	2.8
124.11190	0.6
131.08563	1.4
133.10139	1.2
135.11665	1.2
136.11139	0.7
137.05983	0.7
138.09137	0.5
138.12791	1.2
147.11694	0.7
149.09619	0.7
150.12749	0.5
151.07579	0.5
152.14284	0.6
161.13426	0.5
193.12155	1.1
196.16829	0.5
210.14734	0.6
222.22144	3.7
224.20074	6.8
240.23225	2.3
242.21159	2.8
248.23785	3.5
250.21646	1.3
252.23351	0.7
258.57666	0.5
260.23840	3.0
266.24762	3.3
278.24762	16.0
280.73053	0.4
285.00272	0.5
288.18011	1.3
296.22449	0.9
296.25827	17.9
297.26355	0.6
314.11905	0.5
314.19595	5.5
314.26862	18.9
332.27921	100.0
333.28214	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05270	1.1
55.05510	14.6
56.05033	6.3
57.03421	1.0
57.07071	3.0
60.04523	100.0
61.62801	0.9
65.03924	1.8
66.35921	1.0
67.05173	1.7
67.05500	23.1
68.05013	1.7
69.03403	1.8
69.06723	1.2
69.07065	14.0
69.31326	7.5
69.31747	4.4
70.06577	3.1
71.04990	1.0
72.04499	2.7
74.02431	16.4
74.06072	2.1
79.05489	12.0
80.05000	1.6
81.03402	1.6
81.07051	23.9
82.06560	3.6
83.04961	1.5
83.08614	6.7
84.08143	2.9
85.06544	1.8
90.05576	1.8
91.05481	7.0
92.31830	0.9
93.07037	12.2
94.06532	1.6
95.04939	2.3
95.08598	23.0
96.08137	2.6
97.06524	3.8
97.10149	4.2
98.98458	18.1
105.07017	6.0
107.04888	1.4
107.08595	8.9
108.08111	2.0
109.06520	1.9
109.10153	8.5
111.08076	1.4
117.07004	1.2
119.08555	4.5
121.06477	1.7
121.10131	6.5
123.08090	1.2
123.11685	3.4
125.09630	1.3
128.06189	1.0
131.08543	2.5
133.10123	2.5
135.08046	1.4
135.11674	3.7
137.13242	1.3
145.10106	2.9
146.10382	1.3
147.11618	1.8
149.13220	1.9
151.14787	1.2
159.11618	1.6
163.07536	1.7
173.13196	1.2
176.98973	1.3
181.08557	1.7
185.42975	1.3
201.12827	1.3
239.06786	1.2
250.25278	23.2
260.23691	2.9
268.26367	12.5
278.24811	8.0
296.25803	29.7
314.26898	24.6
315.23083	1.4
315.26849	1.2
316.43570	1.2
332.07651	2.9
332.12039	1.7
332.23840	2.0
332.27933	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.80626	0.5
53.03944	0.8
55.01870	0.6
57.03423	1.4
61.02922	1.8
65.03925	1.0
67.05503	2.8
67.46783	0.6
69.03423	6.4
70.93888	1.6
73.02914	1.6
79.05479	1.6
81.03410	1.7
81.07037	1.0
83.38995	0.7
85.02905	6.4
87.04473	1.2
92.04985	0.7
96.08136	1.7
97.02866	3.2
98.97586	0.6
98.98429	0.8
106.06558	4.5
108.08114	100.0
108.51264	0.7
109.02917	1.1
109.08498	1.2
123.06823	4.3
124.07584	19.3
127.03920	1.1
130.03583	0.6
134.06023	8.6
136.07574	13.1
149.86197	0.7
152.07062	68.8
153.07384	1.3
154.08647	2.5
170.08102	5.9
249.62666	0.6
254.90512	0.8
314.12320	29.8
315.12570	0.7
332.13391	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
54.39081	0.6
55.05511	5.4
56.05045	3.5
56.05257	0.7
57.03429	1.7
58.06579	1.2
59.73491	0.6
67.05505	11.1
69.03419	1.3
69.07069	5.9
70.06582	7.1
70.35758	1.4
70.36152	1.4
71.04974	3.6
72.08144	2.0
74.06075	4.8
75.04487	0.8
79.05496	9.7
81.07054	11.4
82.06562	1.4
83.04969	0.9
83.08619	1.0
84.04477	1.3
84.08140	6.0
87.04466	0.9
91.05482	5.8
93.07037	10.0
94.06539	0.9
95.04961	1.6
95.08595	8.4
95.76192	0.7
96.08128	8.4
97.02903	0.6
97.06536	1.2
98.06030	1.7
98.09691	5.2
98.20744	0.8
98.98468	1.5
105.07041	4.0
107.08604	5.2
108.08117	1.9
109.10152	2.2
110.09676	3.4
114.09148	3.2
117.07009	1.1
119.08585	2.5
121.10170	2.0
122.09683	1.9
123.11692	0.8
124.07575	0.8
124.11197	1.0
133.10120	1.5
135.11674	1.6
136.07396	0.7
136.11195	0.9
138.09146	1.3
138.12778	1.6
145.10109	1.2
146.99100	0.6
149.13194	0.8
152.10756	1.3
152.14313	1.4
170.11737	6.4
171.07085	0.7
206.19043	1.9
210.18465	1.0
222.22206	1.6
224.51692	0.7
248.23738	2.7
252.15755	0.7
260.23746	3.2
261.74902	0.7
266.24814	1.9
278.24765	25.6
288.18051	1.2
289.78528	0.8
296.25827	25.0
314.26859	27.9
315.27237	1.1
332.27930	100.0
333.28284	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38586	4.2
54.05346	5.0
55.05507	12.0
56.96562	4.4
57.03430	8.4
57.07076	82.2
58.07406	4.3
63.91361	4.5
67.05497	19.0
69.07073	7.8
70.06593	12.7
71.08626	53.2
81.07050	28.5
83.08618	14.8
85.10178	25.0
88.07635	16.9
89.07943	4.2
95.08607	35.1
97.10165	4.9
98.20748	10.3
98.98456	87.3
98.99039	6.0
102.68465	4.2
105.07091	4.2
106.08648	8.1
109.10165	16.7
123.11695	9.2
176.98981	10.0
239.23763	13.4
289.10748	4.8
313.27341	42.9
313.32983	8.8
331.34024	100.0
331.37979	4.9
349.16901	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
55.29543	1.5
57.07070	24.9
67.05498	6.0
67.05831	1.3
69.07068	4.0
69.93013	7.7
70.01707	1.5
70.06588	11.5
71.06916	2.1
71.08633	15.2
81.07056	7.1
83.08625	5.9
85.10184	7.8
88.07634	9.6
89.07977	3.1
91.67725	1.3
95.08602	11.9
97.10194	2.3
98.21450	1.7
98.98465	28.1
102.09199	4.5
103.09423	1.8
106.08673	6.2
109.10148	5.1
116.99509	1.5
126.04398	1.4
137.13228	1.3
176.99001	1.8
220.29965	1.3
239.23750	2.5
257.24643	2.4
308.18530	1.5
313.27463	10.5
313.32898	6.0
331.33978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01875	1.3
55.05507	0.9
56.96548	1.7
57.03423	3.0
58.91564	0.8
61.02921	2.2
65.03900	0.8
67.05490	3.7
68.11343	0.8
69.03427	8.8
70.04639	4.6
71.01343	0.8
71.05013	0.9
72.08129	1.2
73.02912	2.5
79.05482	1.7
81.03397	2.8
81.07050	1.3
84.08118	1.4
85.02903	14.1
86.09690	4.7
92.04946	1.2
97.02879	5.5
98.97591	2.9
98.98460	4.1
99.04395	1.0
106.06538	6.4
108.08113	100.0
109.02882	1.7
109.08472	1.0
116.98614	1.9
119.01925	1.3
123.06800	4.2
124.07589	18.5
127.03905	3.8
131.00130	0.9
134.06010	12.3
134.99654	1.8
136.07576	13.6
145.04958	1.1
146.99641	2.0
150.05464	1.0
152.07060	79.0
153.07428	1.4
154.08659	2.0
154.85075	1.0
158.99637	1.1
161.05594	2.0
170.05042	1.9
170.06285	1.2
170.08133	12.6
171.04134	2.4
242.07367	1.4
243.06354	1.4
252.06636	1.8
252.19666	1.1
258.91599	1.0
314.12326	37.6
321.10229	2.0
332.13397	39.5
332.24347	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88418	1.0
55.05513	1.6
56.96562	3.2
67.05502	2.0
68.55727	0.9
69.07051	2.8
70.62037	2.7
70.62395	1.5
77.87545	1.0
79.05486	2.8
81.07068	2.5
88.07610	1.0
91.05509	1.2
93.07028	1.6
95.08642	1.5
98.98465	68.6
101.06012	2.8
105.07054	2.7
107.08619	1.6
116.99504	3.3
119.08575	2.0
129.07004	1.2
133.10103	1.1
145.10120	1.1
146.99602	1.0
161.03616	1.0
174.99222	1.6
176.98898	4.6
178.35880	1.0
205.02002	1.0
238.01674	1.1
313.17404	1.5
331.18829	100.0
331.29932	5.1
332.19183	3.1
346.99960	1.0
349.16541	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49445	6.0
56.96571	32.5
66.37543	6.1
69.95200	37.8
79.05492	25.0
91.05486	9.6
93.07065	13.1
98.98474	100.0
104.50208	6.4
128.98593	8.1
139.47386	6.4
146.99660	16.7
174.99245	7.5
195.09850	28.7
217.07591	7.1
243.09167	6.6
313.17816	18.0
331.15359	43.0
331.19141	64.9
344.08102	6.2
349.16827	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78472	2.9
52.78738	2.8
55.05500	9.8
57.03440	6.4
57.07076	89.6
65.75558	2.5
67.05505	23.9
67.33025	3.5
69.07066	18.1
70.06588	4.5
70.54765	5.5
70.55151	6.1
71.08633	69.0
74.65363	2.7
75.04476	4.3
81.07053	34.0
81.87125	2.8
83.08611	23.2
85.10178	34.8
88.07654	4.0
95.08611	56.9
97.10156	11.9
98.98466	100.0
99.11761	3.0
109.10173	23.1
111.11725	3.7
116.99501	5.7
119.48816	3.0
123.11747	7.2
125.13335	3.9
137.13281	6.5
176.98927	4.3
212.78900	2.9
232.26720	2.8
239.23721	13.0
257.24783	4.0
313.27356	51.2
313.33047	4.2
331.22516	4.5
331.33984	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11397	4.0
56.96562	53.6
66.03024	4.7
68.68930	3.9
69.86035	28.5
71.36555	4.1
75.56665	4.6
79.05480	26.1
98.97531	4.9
98.98459	100.0
106.43520	4.1
114.77223	4.1
128.98650	9.6
143.67050	4.1
146.99641	10.9
171.03242	6.3
173.04744	6.0
176.98853	4.5
199.06390	7.7
203.06021	5.9
213.98042	4.2
217.07506	7.7
225.04498	5.4
243.09074	15.2
261.10187	6.4
277.91660	5.3
281.10718	4.9
324.00168	5.0
331.15756	72.3
343.13364	4.8
349.16824	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99684	1.2
55.05507	1.6
56.96562	2.8
59.88668	1.3
63.95449	1.1
66.53568	1.2
67.05499	2.2
69.07063	3.2
71.02684	2.3
71.03002	1.5
81.07054	3.0
83.08611	1.6
91.05488	2.9
93.07063	1.7
95.08600	1.8
98.08163	1.5
98.98464	100.0
100.38293	1.3
100.98898	1.8
105.07050	2.8
107.47135	1.1
109.10143	1.6
109.56285	1.3
116.99512	5.4
117.07052	2.1
119.08593	2.3
121.10048	1.3
129.06995	1.6
131.08565	3.3
133.10236	1.9
137.05984	1.8
140.01074	1.5
145.10112	6.7
152.66992	1.3
159.11707	2.2
160.40234	1.4
171.11717	2.6
174.99199	3.0
176.98935	7.5
331.18826	93.2
332.19138	2.8
349.17075	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.83071	0.3
56.96556	1.8
67.05503	0.5
71.18861	0.4
71.19174	0.7
77.19894	0.3
79.05482	0.5
81.07030	0.8
83.08630	0.3
91.05475	0.6
93.07024	0.5
95.08590	0.6
98.98463	20.3
100.98895	0.7
105.07026	0.7
107.08586	0.5
109.10129	0.6
116.99495	1.5
131.08577	0.5
141.02278	0.3
174.99251	0.7
176.98932	1.6
180.06204	0.4
195.09888	0.4
222.63829	0.4
233.99881	0.4
281.10535	0.3
331.18787	100.0
332.19077	2.9
349.16724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	AM4299A
Peak:m/z	Relative Intensity
52.57137	1.6
55.05503	2.1
57.07052	1.4
70.01510	8.0
72.92837	1.5
79.05492	2.1
81.07069	2.2
89.10741	1.4
91.05492	2.5
93.07082	1.7
95.08594	3.7
98.21458	1.9
98.98463	100.0
100.98879	2.4
105.07004	1.7
107.08602	1.7
116.99492	4.9
119.08555	2.0
140.01044	3.1
174.99162	3.4
176.98869	8.3
258.43393	1.5
313.17728	38.1
314.18002	2.2
331.14911	3.5
331.18805	64.7
331.26590	2.0
332.19147	2.3
349.16913	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05614	0.5
56.96735	23.0
58.78539	0.4
59.10941	0.4
60.40502	0.5
67.05386	0.7
67.05694	0.6
67.79233	0.5
69.06943	0.6
71.58540	0.7
71.95090	3.3
71.95516	1.3
72.95911	1.0
72.96268	0.6
74.97438	1.8
74.97878	0.9
79.05307	8.3
79.05827	2.8
81.06939	0.6
84.95882	1.5
91.05296	1.4
93.06908	0.6
95.04822	1.0
97.06378	0.6
97.96672	0.9
98.98268	29.9
98.98988	6.1
100.98734	0.7
103.00543	0.7
104.99973	0.8
105.06870	1.1
107.08401	1.6
110.97411	1.6
113.33315	0.5
115.00556	0.7
115.97671	1.2
116.98469	1.2
116.99294	1.3
121.01587	1.0
121.09927	0.6
123.00975	1.8
123.01737	0.5
125.99567	0.5
128.98380	6.0
129.06789	0.7
131.08376	0.7
133.01517	1.5
133.09972	0.5
133.98666	0.9
134.99529	1.1
137.02557	1.4
140.00909	0.5
141.02003	2.5
141.73592	0.4
143.00024	0.5
143.08362	0.6
145.01572	0.6
145.06137	0.5
146.99434	8.7
147.00688	0.7
147.03088	2.1
155.03552	2.5
157.01569	0.9
159.03111	1.0
161.01039	2.1
161.04652	0.6
163.02568	0.6
165.00479	2.1
165.01854	0.7
167.03580	1.1
169.01718	2.7
169.05154	1.1
170.02353	0.8
171.03076	2.2
171.07892	0.7
173.04837	3.0
174.99010	1.4
175.02637	1.1
176.98863	2.5
177.04152	0.6
179.02263	0.7
181.05205	1.5
182.38054	0.5
183.03044	1.0
183.06741	0.6
185.04648	2.1
187.02798	3.1
189.04355	3.8
191.03662	0.6
191.05719	2.3
195.03209	0.5
195.06812	1.1
197.01039	0.7
197.04659	0.8
197.08286	0.6
199.02609	0.6
199.06360	3.7
201.04201	0.7
201.07793	1.1
203.05714	4.3
203.07495	0.9
203.10640	2.6
205.03673	0.9
205.05434	0.6
205.07286	0.9
209.04807	1.2
209.06709	0.9
210.04100	0.6
211.06209	0.8
212.05972	0.6
213.07802	0.8
215.05719	0.7
215.09270	0.9
217.05638	0.6
217.07462	5.1
219.08832	1.2
221.04735	0.7
221.08473	1.1
223.02670	0.9
223.06381	1.3
225.04198	1.4
225.07953	1.2
227.05786	1.1
227.09499	0.6
229.07373	1.8
231.08864	1.1
235.06284	0.8
235.10048	0.7
237.04134	0.5
237.07878	0.9
239.05829	0.7
239.09404	1.5
240.24104	0.6
243.09029	7.2
246.92664	0.5
247.10056	1.5
251.09409	1.9
253.07533	0.7
253.11087	0.6
255.08971	2.1
257.10461	1.1
259.09915	1.3
261.10123	5.1
263.09430	0.9
265.10938	2.2
266.10529	0.7
267.12738	0.7
269.10510	1.5
273.10019	1.3
277.11108	15.8
278.11246	0.5
283.12082	1.4
291.12567	1.9
293.14066	1.4
295.12231	6.0
300.12732	1.7
305.14078	0.6
305.17599	0.6
313.14645	1.2
329.14206	0.9
331.15765	58.0
332.16101	1.9
347.15128	1.2
349.16867	100.0
350.17126	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
56.96563	56.2
65.80972	0.4
66.30412	0.4
67.05481	0.8
70.03329	2.4
71.95265	5.0
72.96029	1.6
74.97592	2.5
79.05489	9.3
81.07045	0.8
84.96045	2.5
86.97652	0.5
91.05476	2.2
92.98648	0.7
93.07005	0.9
94.29379	0.5
95.04954	0.9
95.08569	0.7
97.96808	1.2
98.98462	26.6
100.98878	0.5
102.97045	0.5
103.00635	0.5
105.00156	0.8
105.07019	1.4
107.08569	1.2
110.97564	1.9
115.00731	0.7
115.97803	1.4
116.98598	1.1
116.99486	1.3
117.06995	0.7
119.08595	0.6
121.01726	0.6
123.01225	2.5
127.00684	0.6
128.98608	7.2
129.02226	0.8
129.06961	0.5
131.00133	0.5
131.08571	0.9
133.01733	1.2
133.98853	1.1
134.99690	0.6
137.02725	1.3
139.02777	0.6
141.02238	1.7
141.58185	0.4
143.00089	0.7
145.01656	0.5
145.10115	4.8
146.99649	11.4
147.03299	2.5
151.00648	0.9
152.01474	0.6
155.03807	2.6
155.93842	0.5
157.01752	0.7
159.03259	0.8
159.11702	0.6
161.01253	2.1
161.04813	0.5
165.00751	2.6
165.01923	0.5
165.04369	0.5
167.02394	0.5
167.03813	1.0
169.01685	3.4
169.05322	1.5
170.02510	0.6
171.03278	3.0
171.11726	0.6
173.04820	3.1
174.99208	1.1
175.02747	0.7
176.98868	1.7
177.04352	0.9
179.02249	1.1
181.01799	0.5
181.05365	0.8
183.03299	0.9
183.06917	0.8
185.04837	2.0
187.02791	4.5
189.04344	3.5
191.03786	0.9
191.05882	1.8
193.03831	0.8
193.05434	0.9
195.06920	1.6
197.04857	1.3
198.01952	0.7
199.06433	4.4
201.04367	1.4
201.07950	0.6
203.05806	3.8
203.07423	1.0
205.05467	0.9
205.07370	0.6
207.05313	0.5
207.07045	0.9
208.09631	0.5
209.04878	0.7
209.08507	0.6
211.06384	1.6
213.04172	0.6
213.07932	1.3
217.07440	4.6
219.07030	0.7
219.08961	0.8
221.08519	1.6
223.02792	0.8
223.06575	0.9
225.04361	0.8
225.07947	2.0
227.05782	1.1
227.09462	0.7
229.07350	1.1
229.09258	0.8
231.08835	0.7
235.06372	1.4
237.04185	0.5
239.09491	1.6
241.07451	1.0
241.11249	0.7
243.09033	5.9
247.10254	0.9
249.08017	0.9
251.05856	0.4
251.09529	2.8
253.07442	0.8
253.11119	0.6
255.09067	1.5
257.10599	1.7
259.10068	1.8
261.10062	3.4
265.11108	2.0
266.10605	0.6
269.10532	1.2
271.12225	0.6
273.10123	0.7
275.13156	0.6
277.11111	18.1
278.11185	0.8
279.12595	1.0
281.10623	0.6
283.12003	1.2
285.15234	0.5
291.12604	2.3
293.14151	1.8
295.12201	7.2
297.13779	0.7
300.12735	1.8
301.10828	0.6
307.15955	0.6
313.14731	1.3
319.11981	0.5
319.15677	0.9
329.14352	0.8
331.15753	58.3
331.22382	1.9
332.16098	2.1
347.15283	0.6
349.16840	100.0
350.17139	3.4
354.17007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
55.05502	1.8
57.03424	0.9
65.03930	0.7
67.05492	3.0
67.61628	0.7
69.03411	1.7
69.07068	1.5
69.36600	2.8
69.37025	4.0
70.06596	0.8
71.57056	0.6
74.06073	0.6
74.92817	0.6
75.11153	0.7
75.72342	0.7
79.05496	4.0
79.72875	0.6
81.07056	4.4
82.06557	1.3
84.08150	1.2
85.02890	0.9
85.06540	0.8
91.04961	0.7
91.05470	2.7
93.07039	2.3
94.06564	2.5
95.04984	1.7
95.08615	3.3
95.79295	0.6
96.08916	1.2
97.06538	0.7
98.98465	31.5
100.98860	0.9
105.07030	1.9
106.06533	2.0
107.04974	0.9
107.08591	1.0
108.04448	3.3
109.06516	1.2
109.10163	2.5
110.06068	1.1
116.99493	0.9
117.07004	0.8
117.21735	0.7
117.79331	0.7
119.08569	1.4
120.04469	0.6
120.08077	1.5
120.89008	0.7
121.10098	1.1
122.06030	4.6
129.07033	0.9
131.23763	0.7
133.07619	0.9
134.06012	2.5
135.11641	1.1
136.03926	2.6
137.05963	1.9
140.07037	1.3
143.08478	0.7
144.08052	1.0
145.10088	0.9
148.07591	1.4
149.05980	0.9
150.05507	1.7
151.07538	1.3
156.08078	1.4
159.09230	1.1
160.07498	0.9
161.05898	0.9
161.07123	1.9
162.05510	8.7
163.06311	1.2
164.07060	2.4
167.03471	1.5
167.08525	0.9
168.06587	1.8
168.07990	0.8
170.08339	1.0
170.09665	1.9
173.10718	2.6
174.99255	0.9
176.07056	2.1
176.98921	1.6
177.01823	1.2
181.06430	0.9
182.07268	0.9
183.09254	1.5
184.07646	1.4
184.11185	1.3
186.07903	2.5
186.12747	0.7
187.08655	4.4
187.12364	1.1
189.06578	8.6
194.08060	0.9
197.10785	1.8
198.09209	1.1
199.08609	2.6
200.09428	2.1
201.06503	0.9
201.10263	6.5
203.08173	3.0
211.08691	1.0
212.10721	2.7
213.06587	0.8
213.10167	2.4
214.07390	2.5
215.08186	13.0
215.11687	5.5
225.10373	1.2
226.08810	1.5
226.10890	0.8
227.08255	1.7
228.08951	2.4
229.09731	15.6
229.13408	2.9
239.08241	1.0
239.11731	3.3
240.10394	0.9
241.09683	2.3
242.10471	1.6
243.07761	3.9
243.11269	8.0
251.25673	4.5
253.09502	1.3
253.23441	3.8
254.10529	0.8
255.11070	1.3
257.09232	9.7
257.12802	7.7
259.10849	1.1
265.58707	0.8
267.11307	4.3
269.08762	1.1
269.26810	1.7
271.10834	6.9
275.13870	4.0
277.23849	1.1
281.08371	0.9
285.12390	11.4
295.10675	4.5
295.24710	1.3
303.13324	3.3
313.08109	1.0
313.11765	20.6
313.25687	5.7
316.08841	0.9
330.26260	1.5
331.12860	100.0
331.26633	23.6
332.13147	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1286
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.03941	0.9
55.01872	4.0
55.05489	1.7
57.03414	0.8
67.05500	3.6
68.05828	1.1
69.03422	1.3
69.07061	1.6
70.06580	0.9
70.14518	2.8
71.04986	1.0
72.85722	0.5
73.33310	0.5
74.06060	0.5
74.15628	0.6
79.05477	3.4
80.05012	1.3
81.07050	3.6
82.06561	0.6
83.04955	0.8
84.08137	1.2
85.06526	0.5
91.05464	2.7
93.07028	2.9
94.06554	2.7
95.04971	1.4
95.08608	3.5
96.08888	0.8
97.06524	0.9
98.98459	25.1
105.07006	1.6
106.06552	2.2
107.04889	0.9
107.08570	1.2
108.04500	3.7
108.08141	1.3
109.10122	1.4
110.06027	1.4
115.05463	0.6
116.99485	1.7
117.07021	0.6
118.07405	0.5
119.08566	0.7
120.08096	1.2
121.06510	0.6
121.10121	0.7
122.06041	4.1
123.04473	1.0
123.11697	0.7
125.07081	0.7
129.07040	0.6
132.08081	0.6
133.07588	0.9
133.10153	0.7
134.05952	2.5
136.03929	2.0
137.05972	2.2
140.07101	1.0
143.07248	0.5
143.08499	0.9
144.08035	0.6
145.10069	0.6
147.11699	0.8
148.03908	0.7
148.07581	1.6
149.06015	0.6
150.05533	1.3
151.07497	1.1
152.07054	0.9
156.08075	0.9
157.06454	0.7
158.09593	1.3
159.09145	0.7
161.05920	0.6
161.07108	2.0
162.05502	7.7
163.06264	0.8
163.07558	0.9
164.07063	2.9
165.07045	1.3
166.05005	0.7
167.03452	1.3
168.06621	1.1
169.07594	1.1
170.08249	1.4
170.09648	1.5
173.10716	1.6
174.99178	0.6
175.08664	0.6
176.07129	1.4
176.98906	1.7
183.09209	1.3
184.07651	1.3
184.11230	1.5
185.10683	0.9
186.07889	1.6
187.08664	3.7
187.12268	0.7
189.06558	7.0
190.04883	0.6
194.08195	1.3
195.07973	0.8
198.09135	2.3
199.08646	1.4
200.09419	2.3
201.10208	6.5
202.10857	0.6
203.08153	3.9
207.40694	0.6
210.06784	1.0
211.08626	1.8
211.12253	1.5
212.07208	1.1
212.10793	1.1
213.10248	2.7
213.69838	0.5
214.07376	1.1
215.08170	13.7
215.11720	5.2
225.10266	1.5
226.08562	1.5
226.10907	1.0
227.08099	1.6
228.08775	1.1
228.12415	0.5
229.06204	1.2
229.09694	13.8
229.13243	2.9
230.10449	0.6
239.08238	1.3
239.11769	2.6
240.10190	1.8
241.09753	3.1
242.07065	0.6
242.10417	1.5
243.07704	2.9
243.11281	7.5
247.14322	1.0
250.25426	0.8
251.08212	0.7
251.25574	5.2
253.09587	1.8
253.23555	4.1
254.10487	1.1
255.11197	0.6
256.11951	0.7
257.09195	10.0
257.12845	5.9
259.10770	0.9
267.11392	4.9
268.09473	0.7
269.26733	1.3
271.10779	7.2
275.13956	4.8
277.21255	0.9
285.12344	15.2
287.12436	0.7
289.11758	0.8
295.07495	0.6
295.10693	3.6
299.09064	0.6
303.13373	4.8
313.07922	1.5
313.11771	22.6
313.25601	5.0
318.64984	0.6
330.26498	1.2
331.12851	100.0
331.26663	19.7
332.13187	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
53.03910	0.5
54.10634	0.5
55.05503	3.9
56.05020	2.5
58.06580	1.5
58.15571	0.5
67.05502	7.6
69.07051	2.4
70.06588	6.7
70.64946	1.7
71.04990	1.1
72.08129	2.0
74.06083	4.4
79.05482	3.5
81.06600	0.6
81.07056	10.4
83.08599	1.5
84.08156	4.8
91.05460	0.9
93.07059	3.3
93.07538	0.6
95.08593	9.7
96.08113	0.7
97.10126	0.7
98.09702	4.3
98.98432	2.6
99.09718	0.5
105.07047	0.8
107.08558	1.8
109.09043	0.6
109.10129	3.7
110.09648	0.6
119.08570	0.8
121.10138	1.5
123.11723	0.8
129.40765	0.6
133.10132	0.7
135.11658	1.0
144.57303	0.5
149.13240	0.7
190.05055	0.6
210.18477	0.6
222.22124	1.0
248.19867	0.6
248.23708	0.8
250.25294	29.2
252.23235	19.4
253.23563	0.7
268.26306	9.0
270.24210	2.0
276.23248	4.6
284.22314	0.7
294.24265	3.8
312.25314	22.6
313.25693	1.1
315.08612	1.2
330.26361	100.0
331.26721	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
55.05515	4.6
56.05034	1.0
57.03434	1.0
58.06582	2.5
65.03918	0.7
67.05168	0.7
67.05499	7.0
69.07059	3.4
69.51469	4.9
70.06588	15.0
71.04981	0.7
72.89470	0.6
74.06045	0.7
79.05482	2.7
80.38875	0.6
81.07053	10.3
82.06551	1.5
83.04979	0.7
83.08619	1.6
84.08135	1.4
85.06545	0.8
91.05453	1.7
93.07036	3.2
95.04934	0.6
95.08604	8.9
98.09680	2.3
98.20759	1.3
98.98459	9.4
100.11250	3.1
105.06986	0.5
107.08575	1.9
109.10149	3.0
119.08563	0.9
121.10107	1.0
123.11647	0.7
151.07542	0.7
152.06197	1.1
178.10121	0.5
180.05630	1.3
182.15370	1.6
185.66389	0.5
195.15727	0.6
208.05171	15.7
209.05602	1.2
209.16417	1.4
210.14851	1.1
211.03827	0.8
226.06348	0.6
236.04706	2.9
239.06917	0.7
240.04189	2.2
241.08485	0.9
248.23636	0.6
250.25298	29.8
251.25519	1.0
252.23193	21.3
252.25795	1.1
253.08705	0.7
253.23460	0.6
254.05708	3.4
257.04407	2.4
268.03610	1.0
268.26318	6.0
269.08112	10.3
270.08444	0.9
270.24222	1.6
271.09747	1.4
272.06787	1.4
276.23209	2.5
282.05161	1.2
287.09073	1.9
294.24274	3.5
300.06247	1.6
301.06973	1.5
312.25311	26.2
313.08197	0.6
313.25601	1.0
315.08600	25.9
316.08884	3.0
330.10956	17.3
330.26358	100.0
331.11557	3.2
331.26743	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.2
55.05511	3.4
56.05000	0.8
57.03416	0.7
58.06596	2.1
60.04489	0.4
65.03926	0.3
67.05505	8.1
67.36474	0.2
69.07062	3.0
69.66286	0.6
69.66711	0.7
70.06590	15.9
71.04989	0.9
74.06071	0.2
79.05070	0.2
79.05486	3.3
80.68138	0.2
81.07053	8.9
82.06557	0.5
83.04945	0.4
83.08604	1.5
84.08141	1.3
85.06510	0.4
91.05476	1.4
93.07041	3.3
94.06533	0.3
94.39993	0.2
95.04919	0.3
95.08603	9.9
96.08102	0.7
97.06505	0.5
97.08912	0.3
97.10118	0.6
97.40437	0.2
98.09689	1.6
98.20798	0.4
98.98466	4.8
105.07008	0.9
107.04926	0.3
107.08589	2.2
109.06483	0.3
109.09459	0.3
109.10143	3.6
110.09657	0.4
116.99464	0.2
117.06992	0.3
119.04825	0.2
119.08533	0.6
121.10162	1.3
123.11695	0.5
131.08531	0.4
133.10088	0.4
135.11673	0.9
140.14284	0.2
145.10143	0.2
147.11707	0.4
152.06174	0.4
159.11696	0.2
161.13351	0.2
168.17494	0.4
170.15413	0.2
176.98952	0.3
180.05647	0.4
194.03638	0.3
198.06644	0.2
208.05191	6.9
208.20566	0.2
209.05544	0.6
211.03810	0.4
222.22234	0.2
224.04712	0.2
224.20134	0.3
225.05431	0.4
226.06232	0.3
227.06880	0.3
235.13322	0.2
236.04616	1.2
237.05154	0.2
240.04163	1.1
241.08659	0.3
248.23763	0.7
250.25291	32.1
251.25635	1.2
252.23224	23.9
253.23582	0.9
254.05733	1.6
255.06302	0.2
257.04507	0.7
264.04141	0.2
266.24753	0.3
268.03674	0.7
268.26355	7.7
269.08096	3.6
269.26691	0.3
270.24234	1.8
271.06445	0.3
271.09540	0.3
272.06793	0.8
276.23203	3.2
282.05185	0.8
285.08398	0.3
287.09149	0.7
294.24268	3.4
295.24872	0.2
300.06329	0.5
301.07257	0.5
312.25308	24.9
313.08084	0.4
313.25629	0.7
314.08029	0.2
315.08615	11.7
316.08939	1.2
330.10971	8.0
330.26364	100.0
331.11740	1.1
331.26657	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17210	1.0
55.05513	4.9
56.96562	6.5
57.03438	2.1
57.07066	2.6
66.14564	0.8
67.05499	7.4
69.07059	2.6
69.70370	7.2
70.06587	2.4
71.04964	1.2
71.08620	3.0
73.91452	0.9
79.05495	7.1
81.07050	9.6
83.08620	4.3
87.04465	9.0
88.07626	4.5
91.05487	3.7
93.07043	4.8
94.34549	0.9
95.08604	4.5
97.10164	3.0
98.20824	1.7
98.98463	100.0
100.98891	1.6
101.06004	2.3
105.06996	2.3
107.08595	3.9
109.10150	3.2
116.98753	1.3
116.99481	6.1
119.08594	1.9
121.10139	1.8
125.09636	4.0
128.98628	1.0
131.08527	2.0
133.10118	2.1
134.99619	1.2
135.11679	2.0
137.09572	1.2
140.01051	1.7
145.10179	1.1
146.99576	1.5
147.11612	1.1
148.31340	1.0
163.66051	1.0
174.99246	4.2
175.99655	1.3
176.98953	4.5
179.14311	1.3
185.04800	1.3
189.11185	3.7
191.05943	1.2
203.05873	1.8
217.07500	1.9
229.07462	2.3
231.09027	2.2
243.09155	1.5
247.08470	2.6
255.09155	2.2
261.10071	1.9
269.10556	1.5
270.27866	1.8
277.21640	3.3
285.10101	1.6
330.26318	3.3
330.30008	10.5
330.33511	2.5
331.15326	7.1
331.19009	19.5
349.16870	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01859	1.8
57.03416	2.7
57.68710	0.7
61.02924	0.9
65.03947	1.4
67.05502	3.3
69.03433	7.7
69.07056	1.8
71.04971	0.8
71.57622	1.2
79.05478	4.8
81.03409	1.9
81.07040	2.1
85.02899	1.6
85.06556	1.2
87.49499	0.7
91.05476	6.0
93.03416	1.2
93.07034	3.7
95.01306	1.2
95.04966	2.3
95.08632	1.4
97.02887	0.9
98.98463	100.0
100.98893	0.8
103.03934	1.0
103.05489	2.3
105.07040	6.0
107.04966	2.1
107.08596	3.3
109.02872	1.1
109.10171	1.0
113.57466	0.7
115.05446	2.8
116.06276	1.0
116.98760	0.9
116.99467	3.8
117.07031	1.9
119.04956	1.7
119.08551	2.0
119.46199	0.7
121.06503	2.5
121.10105	1.5
122.62116	0.8
123.04449	0.8
128.06245	2.0
129.07062	1.2
130.07848	0.8
131.04944	1.4
131.08572	2.2
133.06487	3.8
133.10146	1.2
135.08055	8.1
137.05994	2.2
139.76303	0.9
140.01039	0.9
143.08594	1.7
145.06494	5.5
145.10127	2.3
147.04379	1.9
147.08081	1.1
149.05995	4.5
151.07574	1.1
153.06958	0.9
155.08496	1.1
159.08028	1.7
161.05980	14.8
162.06705	2.0
163.07539	17.8
163.08806	1.4
167.07031	1.6
169.06502	1.2
171.08084	1.3
173.06053	3.2
173.09665	1.3
174.99193	5.3
175.07568	4.2
176.98988	2.7
177.05470	14.1
179.07036	1.3
185.06116	0.9
185.09808	0.8
186.06728	2.1
187.07556	2.6
189.05464	9.3
189.09134	2.2
191.07024	33.9
192.07413	0.9
193.04967	0.8
195.06543	2.7
195.11620	0.7
199.07602	3.0
201.05507	1.3
201.09160	2.1
203.07066	2.1
205.08382	1.2
206.04495	1.3
207.06564	3.0
208.05209	2.6
209.08102	15.2
214.06279	0.9
215.06970	7.0
217.04906	1.3
217.08626	1.4
225.07582	1.4
227.07033	5.0
229.08646	4.2
233.08109	3.1
241.08748	0.8
245.08096	15.4
245.10431	1.4
254.05603	1.0
255.06522	0.9
257.08054	9.1
263.09113	1.5
269.08069	1.7
273.11365	0.9
275.09146	4.8
283.09708	1.2
293.10257	3.3
311.11234	9.2
312.09149	0.8
315.08502	4.7
329.06726	1.2
329.12332	28.9
329.24945	1.0
330.10904	1.3
330.26212	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01861	3.5
56.64719	1.0
57.03434	2.3
58.99585	1.1
61.02909	2.4
65.03942	2.1
67.05496	7.4
69.03421	14.2
69.07060	2.2
71.04974	2.8
73.02893	1.9
74.60281	0.8
79.05144	0.8
79.05495	8.7
81.03413	3.3
81.07048	6.4
83.08641	1.0
85.02895	2.4
85.06515	1.4
86.99044	0.9
87.82771	1.0
91.05480	12.0
93.03405	2.3
93.07034	7.5
95.01327	2.9
95.04971	4.2
95.08616	4.5
97.02903	1.8
98.98460	87.3
99.04467	1.4
100.98888	1.0
103.03923	2.5
103.05453	4.0
103.65284	1.0
105.07024	11.9
107.04937	2.4
107.08572	7.0
109.02853	2.1
109.06493	1.5
109.10166	2.7
114.04774	0.9
115.05447	3.9
116.98628	1.1
116.99471	3.8
117.06980	4.3
119.04948	1.8
119.08575	4.8
120.06647	1.1
121.02890	1.1
121.06499	4.7
121.10141	2.2
123.04413	1.3
123.08078	2.7
128.06215	3.3
129.07001	3.2
131.04938	2.8
131.08569	4.2
133.05310	0.9
133.06467	6.7
133.10133	1.9
135.08049	14.5
135.11719	1.6
137.06009	2.3
139.11118	1.5
141.06956	1.4
143.08562	2.8
144.05650	1.1
145.06471	8.4
145.10130	1.6
147.04411	4.0
147.08037	3.1
149.05977	14.3
149.09677	1.0
152.06158	4.8
153.07060	1.2
153.90450	0.8
155.08562	2.1
157.06480	1.3
158.07260	1.3
159.08025	3.6
159.11772	1.0
161.04736	2.3
161.05965	25.3
162.06767	3.8
163.07530	30.6
165.06944	0.9
167.07077	2.2
168.05588	0.9
169.06494	1.4
171.08060	3.4
173.05997	4.0
173.09673	2.4
174.06740	1.1
174.99225	5.1
175.07515	10.9
176.98929	3.2
177.05455	28.0
179.07042	2.1
180.05675	4.8
181.06381	1.4
183.08041	2.1
185.05940	2.6
186.06761	4.3
187.07607	6.3
188.03322	1.9
189.03926	1.7
189.05466	19.0
189.09047	1.5
191.07021	53.5
193.04944	2.0
194.03630	2.6
195.06435	5.1
196.05164	1.5
197.06017	1.5
199.07538	3.9
201.05510	2.6
201.09048	4.6
203.07088	4.4
205.08586	1.2
206.04495	2.9
207.06563	4.7
208.05174	63.4
209.08080	25.6
211.03917	3.6
211.07544	3.3
212.04631	1.5
214.06244	1.6
215.07007	11.4
217.08539	1.4
221.42993	0.9
222.03185	1.2
223.16862	1.0
224.04660	2.2
225.05426	3.5
225.07596	3.4
226.06114	2.7
227.06995	7.6
229.04991	1.8
229.08585	10.5
233.08060	7.0
236.04643	14.4
239.07007	1.5
240.04182	10.2
241.08496	2.9
245.08076	25.7
246.08325	1.2
253.05075	1.1
254.05714	16.3
255.06468	1.6
257.04584	6.2
257.08035	17.7
257.10593	1.4
263.09189	1.3
268.03632	5.6
268.06320	1.0
269.08063	38.6
271.05957	4.0
272.06790	8.0
275.09146	8.8
282.05243	5.8
283.06326	1.0
283.09793	1.2
286.04810	1.5
286.08133	1.3
287.09091	5.8
293.10162	5.8
297.07663	1.7
300.06244	5.5
301.07074	3.7
311.11176	16.8
315.08594	100.0
329.06195	1.7
329.12280	46.8
329.25342	5.2
330.10922	65.9
344.92242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.8
67.05502	3.1
69.07069	9.2
70.83335	3.3
79.05488	4.8
81.07065	5.6
83.08620	4.7
88.25486	1.2
91.05479	3.4
93.07041	3.3
95.08635	2.4
97.10158	5.2
98.98465	100.0
101.81309	1.1
102.31551	1.2
105.07040	3.2
107.08603	7.1
109.10160	1.4
116.99503	3.6
119.08552	2.0
121.10204	1.2
125.09636	6.0
129.07060	1.1
133.10139	1.6
135.08017	1.3
142.48590	1.1
145.10161	1.4
147.11693	1.8
174.99248	5.9
175.03995	1.2
176.04205	1.8
176.98985	2.6
182.66399	1.1
189.11221	8.5
217.08502	1.6
218.08939	3.5
232.96405	1.4
243.06464	1.1
244.06972	1.3
250.97542	1.2
272.06293	1.4
275.20163	4.9
328.12640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
67.05504	16.8
69.07072	15.9
69.83375	19.5
74.11944	3.4
79.05493	12.5
81.07048	10.1
83.08646	6.7
91.05482	9.6
93.07047	6.8
95.08604	6.6
96.48412	3.5
97.10157	8.6
98.21448	4.9
98.98461	100.0
103.18432	3.6
105.07049	8.4
107.08598	14.1
109.10143	6.7
119.08563	6.6
121.10178	3.5
125.09580	5.6
131.08633	4.1
133.10175	4.2
137.09618	5.2
147.11688	4.1
154.12241	4.6
172.13451	4.1
173.11818	4.2
174.99251	7.7
189.11235	9.2
212.78255	3.2
275.19962	6.6
294.18408	3.7
353.03152	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96751	2.1
51.57925	1.9
55.01864	2.7
55.05512	26.4
55.06528	2.2
67.05495	9.7
69.03411	2.7
69.07063	11.7
69.88470	7.6
69.88877	5.5
70.09585	1.8
76.73138	2.3
79.05502	10.7
81.07063	4.6
83.04976	2.3
83.08615	14.9
91.05486	8.0
93.07037	6.9
95.08627	3.3
97.10173	31.9
98.21507	3.3
98.98466	100.0
105.07026	8.1
107.08588	31.0
108.74126	2.3
116.99451	3.8
121.02837	7.1
122.03248	3.6
123.04443	20.6
123.66833	2.2
124.04767	6.4
125.09627	24.6
133.10097	3.3
135.08038	2.7
137.02345	3.5
147.11658	2.2
149.02318	41.1
150.02687	31.4
153.09027	3.6
174.99217	6.5
179.10649	11.3
180.10986	16.3
189.11212	43.0
216.07352	2.3
242.66670	2.3
243.06459	3.8
244.06860	7.4
247.21712	2.8
257.19000	4.7
271.06042	3.5
272.06351	15.2
274.76019	2.3
275.20020	21.8
328.12582	14.5
329.17194	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	9-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
55.01844	0.5
55.05519	2.8
57.03399	0.6
58.06583	0.6
59.66670	0.5
67.05499	3.9
69.03429	1.3
69.07070	2.9
70.06584	2.8
70.62493	0.9
71.04986	0.9
74.82513	0.5
79.05494	4.5
81.03416	0.6
81.07060	4.5
85.06514	0.6
86.09689	0.6
91.05468	2.4
93.07037	3.8
94.06551	1.9
95.08615	3.7
96.08134	5.9
96.72633	0.5
97.06502	0.8
98.06035	0.5
98.21515	0.5
98.98463	30.7
105.07039	1.7
107.08596	1.9
108.08114	2.2
109.06496	0.8
109.08869	0.8
109.10144	0.8
110.09659	1.7
116.99500	1.6
117.07033	0.7
119.08578	1.0
120.08109	0.6
121.10169	1.2
122.09712	1.1
135.08080	0.7
137.05991	1.2
138.90164	0.5
149.05977	1.6
161.05956	0.8
163.07532	1.4
174.99207	2.3
175.07541	0.6
176.98935	1.0
177.05428	0.9
181.06406	0.8
188.03348	0.7
191.07062	1.2
206.04472	0.8
208.00027	0.6
229.08794	0.6
246.22078	0.6
248.19984	0.8
248.23708	12.4
250.21652	21.0
266.24783	12.3
268.22693	13.6
274.21667	2.0
292.22726	4.0
310.23767	8.7
311.05478	0.6
328.24814	100.0
329.06525	1.9
329.25134	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.96571	0.8
67.05499	2.6
67.22329	0.6
69.07060	1.3
71.31660	1.2
71.32035	0.6
74.60151	0.6
76.84446	0.6
79.03570	0.6
79.05505	1.1
81.07058	2.1
86.69812	0.6
91.05489	0.8
93.07053	1.5
93.41093	0.6
94.02042	0.6
95.04987	0.7
95.08614	1.4
97.10178	0.8
98.98466	100.0
100.98880	0.7
105.07029	1.7
107.08614	2.5
109.10117	1.4
114.03278	0.6
116.99483	4.4
119.08562	1.0
133.10117	0.7
140.01059	1.1
150.02501	0.6
158.04208	0.6
173.11790	0.8
174.99228	6.3
176.98848	1.7
190.95473	2.0
198.11806	0.7
208.96544	1.5
232.96472	1.6
250.97545	1.4
329.17487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	40.5
55.26984	3.0
56.29243	2.9
60.08974	2.6
62.97374	2.9
67.05495	18.3
69.03404	2.9
69.07062	31.1
70.12627	11.8
79.05488	23.0
81.07057	17.3
83.08627	28.1
90.95189	3.5
91.05478	9.1
93.07035	11.6
95.08589	9.4
97.10164	38.3
98.98463	100.0
105.07036	9.9
107.08594	36.6
109.06493	3.5
116.99483	3.5
117.06988	6.0
119.08606	5.8
125.09632	31.7
128.98621	3.0
131.08522	3.5
133.10126	4.2
135.08012	4.2
147.11728	3.9
161.13252	5.7
171.10136	4.0
174.99266	7.6
175.07359	4.0
176.04274	4.2
187.20729	3.5
189.11223	49.1
202.05907	5.4
218.08934	10.0
244.06908	4.4
257.19012	5.1
272.06348	6.1
275.19992	27.6
328.12491	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.03431	0.7
59.04999	2.9
67.05502	1.3
69.03428	1.6
69.07062	0.7
69.98042	1.3
69.98461	2.6
70.06598	3.3
72.08146	2.4
73.06560	8.2
79.05470	1.5
80.63489	0.5
81.03412	1.3
81.07040	1.3
84.08131	1.4
85.02887	1.4
86.09696	3.5
91.05479	1.4
93.07026	1.3
95.04980	1.1
96.08121	0.7
96.15028	0.6
97.02896	0.6
98.21459	0.8
98.98465	100.0
105.07027	1.5
109.02935	0.7
110.09683	1.1
111.04476	0.8
116.07097	2.1
116.99509	6.2
120.08105	8.7
121.10146	0.8
123.04392	1.3
126.51744	0.6
127.03883	0.6
131.10695	0.9
138.05469	0.8
138.09145	0.7
148.07521	3.6
149.11740	4.1
161.05966	1.1
166.08632	2.7
174.99239	6.3
176.98933	2.6
190.08641	6.2
252.99854	0.7
262.21793	0.8
275.12570	0.7
279.86697	0.7
283.06033	0.6
292.22711	0.9
310.23761	2.2
328.15665	4.2
328.24805	9.1
329.11273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.3
51.02379	3.3
52.32879	0.7
53.03946	8.4
55.05506	1.8
56.18296	0.6
65.03940	1.0
67.05500	4.8
69.07063	1.9
71.74182	0.6
77.03953	2.4
79.05480	2.3
80.46325	0.6
81.03408	1.3
81.07059	4.0
83.08628	1.3
85.53641	0.6
91.05475	5.1
91.33757	0.7
93.07048	9.0
95.04971	30.9
95.08610	6.2
96.05325	0.8
97.06507	2.2
98.21519	1.4
98.98463	100.0
105.04507	3.9
105.07029	7.8
107.04894	1.2
107.08602	4.8
109.06532	1.4
109.10150	2.4
111.04495	0.7
116.99495	5.2
117.07022	2.3
119.08592	6.8
120.46503	0.7
121.06528	1.6
121.10152	3.6
123.08058	1.7
123.11693	1.3
128.06223	0.9
129.06984	1.5
131.08572	3.1
133.10117	5.2
135.08043	1.0
135.11687	1.7
140.01089	1.5
141.07062	1.2
142.07782	0.8
143.08574	2.8
144.09377	1.0
145.10152	4.6
147.11700	2.4
149.09564	1.1
152.06207	34.1
153.06999	21.4
154.07428	1.0
155.08517	1.2
157.10115	4.2
159.11713	4.5
161.09592	1.3
161.13297	0.7
168.05705	9.9
169.06483	4.3
169.10152	1.6
170.10928	1.0
171.08052	2.3
171.11679	2.0
173.13309	1.3
174.99242	8.9
175.01575	2.2
175.11226	0.9
175.14804	2.5
181.10066	0.7
183.11702	1.0
185.13185	1.0
187.03056	1.2
187.11249	1.1
187.14742	1.8
197.13243	1.8
199.14839	1.5
202.07704	1.6
209.13249	1.0
211.14822	1.4
215.02539	6.1
221.13342	0.7
227.08582	1.3
228.09323	7.6
229.10083	4.8
231.86168	0.7
233.03609	29.8
234.03943	1.5
251.04681	12.8
252.05005	1.0
253.16013	0.8
309.06595	0.8
309.22263	1.1
327.07797	98.5
327.23114	2.1
328.08173	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2163
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01868	0.7
55.05514	2.9
57.03435	1.2
67.05499	4.2
69.03426	1.0
69.07065	3.5
70.05091	2.6
71.04976	1.5
71.96784	0.4
74.77399	0.4
77.09489	0.4
79.05494	4.7
81.03413	0.9
81.07056	4.6
83.04972	0.6
83.08615	1.5
86.38297	0.4
91.05479	3.0
93.07036	4.4
95.04964	1.8
95.08600	4.0
97.06532	1.2
97.10170	2.0
98.98460	100.0
99.08073	0.8
104.84736	0.5
105.07005	2.6
107.04958	1.5
107.08591	2.4
109.06522	0.7
109.10138	1.7
111.08143	0.5
115.07559	0.8
116.99483	5.4
117.07001	1.1
119.08592	2.0
121.10145	1.3
121.22720	0.4
123.08053	2.4
123.11693	0.6
125.09618	2.1
129.07027	0.7
131.04906	0.6
131.08554	1.6
133.06458	0.8
133.10136	1.1
135.08028	4.8
135.11710	0.5
137.05992	0.6
137.09601	0.6
140.01070	1.4
143.08626	0.8
145.06514	0.5
145.10110	1.5
147.11743	0.7
149.09624	0.7
153.07005	0.4
157.10106	0.9
159.11717	0.8
161.09631	0.4
161.13322	0.5
163.07495	0.5
167.08678	0.4
171.11867	0.5
173.09566	0.6
174.99226	9.1
183.11687	0.5
189.11267	2.0
193.05051	0.7
197.06114	0.5
203.12921	0.4
221.15268	0.8
250.97443	0.5
251.00021	0.8
255.06570	0.8
271.06033	2.1
273.18484	2.4
291.19363	2.5
303.70050	0.5
309.11249	0.6
309.16299	1.2
327.08359	1.3
327.12186	1.1
327.23141	0.6
342.09210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2163
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01876	14.2
55.05512	5.8
55.32081	2.1
67.05492	9.2
69.07068	5.7
70.83465	5.9
74.40699	1.9
79.05451	3.2
81.03422	2.5
81.07047	4.1
91.05478	5.2
93.07039	6.0
95.04967	7.4
95.08600	3.5
97.06537	13.1
97.10188	2.5
98.98464	100.0
105.07053	3.5
107.08633	3.6
109.10168	4.6
111.04467	2.2
116.99547	3.0
119.08641	3.7
121.76910	2.2
125.09648	10.3
131.08676	2.1
135.08014	2.6
137.09631	4.0
144.43152	2.2
163.07590	3.2
174.99213	10.7
273.18481	2.9
291.19666	10.3
309.20609	12.6
327.47693	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2165
Annotation	Plakortenone
Peak:m/z	Relative Intensity
53.03950	1.3
55.01880	1.5
55.05502	2.7
57.03433	1.5
58.50847	0.5
67.05499	4.2
68.99804	3.3
69.07066	3.3
69.81652	3.3
73.25441	0.5
78.66570	0.6
79.05496	6.2
81.03403	1.3
81.07069	8.8
83.05006	1.7
83.08620	2.3
91.05486	4.0
93.07047	4.0
95.04972	2.8
95.08618	4.0
97.06525	0.9
97.10155	0.7
98.98472	100.0
99.08078	1.0
103.05480	1.5
105.07018	3.4
107.04975	3.2
107.08601	2.3
109.06536	3.6
109.10136	1.7
111.08058	0.8
116.99519	4.3
117.07030	1.2
119.08583	1.6
121.06509	3.7
121.10139	2.6
123.04447	3.7
123.08030	1.1
125.09663	1.7
129.07082	0.6
131.08591	1.1
133.06505	3.1
133.10152	1.8
135.04424	52.4
135.11655	1.2
136.04784	1.6
137.06026	1.2
137.09680	1.5
140.01094	1.2
145.10130	0.9
147.04410	1.1
149.02347	1.7
149.04799	1.2
149.05989	21.3
153.09158	0.5
161.06012	1.7
161.09653	0.7
163.11250	0.6
165.05591	0.6
171.11551	0.7
174.99251	8.4
178.22523	0.5
179.10806	1.1
189.11275	0.9
191.10683	56.4
192.11061	2.7
232.96593	1.0
271.09763	1.8
273.18527	1.0
291.19586	1.5
309.20721	0.7
327.08408	0.7
327.12222	1.1
327.15930	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33630	1.4
55.01877	10.3
55.05518	2.4
67.05490	6.8
69.07060	7.2
70.71088	3.6
70.71487	3.8
71.22588	1.7
79.05463	4.9
81.03402	2.1
81.07053	4.6
83.04964	3.5
83.08594	1.9
84.94192	1.7
93.07037	3.6
95.04971	4.6
95.08611	4.7
97.06519	6.3
97.80223	1.4
98.98460	100.0
103.00888	1.6
105.07023	2.2
107.08588	3.0
109.10138	2.3
111.04456	2.0
111.27242	1.9
116.99510	4.5
119.08517	1.7
121.10192	1.5
125.09626	6.9
147.69722	1.7
174.99149	7.7
183.13687	1.7
211.13246	1.7
214.79005	1.4
234.34053	1.8
281.21143	2.2
281.67670	1.8
291.19458	5.0
309.20551	11.0
343.12564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34827	0.6
53.03942	0.7
55.01864	0.8
55.05500	4.6
57.03423	0.9
67.05502	4.0
69.03429	1.1
69.07049	2.4
71.04992	0.7
71.57690	0.7
71.58083	0.7
72.08136	0.7
79.05484	3.7
80.94799	0.6
81.03397	1.0
81.07040	4.5
83.04991	1.1
83.08603	1.6
91.05473	3.0
93.06531	0.6
93.07033	3.4
93.10651	0.5
95.04970	3.3
95.08601	4.0
97.06535	0.8
97.10165	3.9
98.98459	100.0
105.07039	2.4
107.04958	1.7
107.08610	2.8
109.06521	2.5
109.10163	1.7
115.05436	0.7
116.99479	4.9
117.06979	0.7
119.08562	2.6
121.10126	1.2
123.08061	6.8
123.11702	1.3
125.09618	2.6
129.07007	1.0
131.08539	1.4
133.06465	1.8
133.10110	1.1
135.04433	0.6
135.08034	1.6
137.05966	0.9
137.09569	0.7
140.01093	1.4
143.08554	1.5
145.10133	1.0
147.08012	1.3
147.11725	1.1
149.02328	0.8
149.09573	0.6
157.10085	1.2
159.11699	0.7
165.09094	1.4
169.12292	0.8
174.99216	9.5
177.09183	0.6
187.13341	0.6
189.11229	2.6
190.95296	0.7
193.12209	0.6
222.72313	0.6
227.07092	0.9
251.00075	1.3
253.55051	0.6
255.06479	3.9
256.06812	0.8
273.18515	3.2
282.93631	0.7
291.19574	3.1
309.11197	1.2
309.20862	0.9
327.08438	0.9
327.12149	1.6
327.15668	0.6
327.23047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56104	0.5
55.05499	1.8
57.07067	0.9
65.03941	0.6
67.05487	2.1
69.07053	2.0
69.45893	5.0
71.04975	0.7
79.05486	1.6
81.07051	2.7
82.16679	0.5
83.01329	2.7
83.08614	1.8
87.45333	0.5
91.05472	3.7
92.05807	0.5
93.07027	1.9
95.04945	2.1
95.07078	0.5
95.08598	2.5
97.10181	1.1
98.21502	0.7
98.98461	67.9
105.07034	1.6
107.04947	100.0
107.08598	1.1
108.05267	1.3
109.10149	1.2
116.99490	2.1
117.07021	0.7
119.04936	1.8
119.08609	1.8
121.10133	1.1
123.04424	1.6
123.08021	0.9
131.04988	0.6
133.10138	1.1
140.01085	0.7
147.04402	29.1
147.11606	1.1
148.04784	0.7
149.02304	1.1
149.05952	0.7
151.03874	6.8
151.11186	0.6
157.10071	0.6
165.05467	73.2
166.05833	1.3
170.77858	0.6
174.99234	5.6
177.05435	5.6
180.27644	0.5
185.13385	0.6
209.82188	0.5
219.02509	0.5
221.11655	1.6
253.08539	2.1
271.09631	84.2
272.09900	2.7
327.07678	0.7
327.12381	0.5
327.15866	12.5
327.25226	2.3
328.16119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Manuifolin H
Peak:m/z	Relative Intensity
52.20382	0.6
53.03939	1.8
55.01877	0.9
55.05511	3.1
56.59737	0.5
60.65053	0.5
62.37830	0.8
67.05514	3.6
68.99790	4.8
69.07057	2.1
69.86532	1.2
69.86938	2.3
71.04997	0.6
77.73936	0.6
79.05489	6.9
81.03397	0.7
81.07055	8.9
81.31393	0.6
83.08602	1.2
86.16494	0.6
91.05476	4.4
93.07034	4.3
95.04950	2.8
95.08585	2.9
98.98462	53.0
99.08058	1.5
103.05476	2.5
105.07023	2.3
107.04945	4.0
107.08579	1.2
109.06503	2.8
109.10138	1.0
111.08061	0.9
116.99502	1.6
119.08581	1.6
121.05753	0.8
121.06510	7.6
121.10159	1.5
123.04424	6.0
123.08060	1.4
125.09598	0.9
131.04929	0.7
131.08598	0.9
133.06480	1.3
133.10144	1.0
135.04408	81.0
135.11549	0.5
136.04724	1.4
137.05983	1.9
147.04428	1.4
148.40906	0.6
149.05975	35.3
149.09563	0.9
150.06274	0.7
153.05502	0.6
157.10063	0.7
159.11670	0.9
161.05952	3.0
167.10704	0.8
173.09633	0.7
173.11717	0.6
174.99194	5.9
191.10661	100.0
192.10963	2.7
271.09634	2.4
273.18399	1.1
291.19385	1.2
327.12082	1.6
327.15848	4.0
327.22162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	Moracin P
Peak:m/z	Relative Intensity
53.76679	0.7
55.01869	1.3
55.05497	1.5
57.07055	0.9
66.65459	0.6
67.05505	3.4
68.99786	2.7
69.03436	0.7
69.07063	2.4
71.58416	1.2
79.05486	2.7
79.94390	0.8
81.03414	2.0
81.07040	5.1
83.08641	0.9
85.06550	1.5
91.05465	2.9
93.07032	2.3
95.04973	1.8
95.08612	3.0
98.98461	100.0
103.05450	1.1
107.04955	2.8
107.08604	1.3
109.06533	2.3
109.10168	1.8
116.99493	4.3
117.06998	1.4
121.02883	0.9
121.06537	1.5
121.10125	1.8
123.04421	5.5
127.03944	2.4
128.06232	2.3
129.07030	1.7
131.04933	0.9
131.08556	1.1
133.06433	1.1
133.10089	0.9
135.04408	14.3
135.08049	0.9
137.02319	5.0
137.06007	2.2
140.01038	1.0
143.08565	1.4
145.06435	2.5
145.10060	0.9
147.04399	2.9
149.02324	5.0
149.05981	12.5
153.06993	2.8
157.06514	2.5
159.04362	0.8
159.08052	1.5
161.06087	1.6
165.07022	1.1
171.04488	1.0
171.08066	3.7
173.05991	2.2
174.99208	10.3
179.10660	1.4
181.06496	3.5
183.08095	1.1
184.05203	2.1
185.05954	10.5
187.03859	0.8
187.07574	0.8
191.10663	20.3
191.12337	1.2
197.05943	1.2
199.07524	4.4
200.08226	1.6
210.06798	1.0
211.07585	2.2
215.07091	1.6
223.07381	0.9
226.06242	1.7
227.07021	7.1
239.07010	6.1
241.05029	0.8
243.06590	2.9
245.09595	1.1
248.08331	2.3
250.99863	1.2
255.06503	45.1
256.06918	5.3
263.10709	1.6
265.08511	1.4
266.05762	4.9
266.09399	2.3
267.06503	3.6
271.06253	1.6
271.09555	1.1
279.06458	1.0
281.11667	6.8
293.08087	3.3
294.08441	8.5
309.11151	22.1
322.31296	0.8
327.12250	39.8
327.15567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1586
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03930	1.3
55.01860	1.7
57.03432	0.8
66.04745	0.6
67.05480	1.7
69.03423	1.7
69.07035	0.6
70.06589	0.7
70.11699	3.4
71.04943	0.7
73.98518	0.6
79.05491	4.7
81.03417	0.7
81.07049	4.0
83.04955	0.6
83.08626	0.6
91.05481	7.1
93.07037	2.4
94.04171	3.3
95.04955	2.7
95.08596	2.2
97.06540	1.0
98.98459	66.6
103.05458	25.2
105.06389	0.9
105.07027	11.1
107.04939	3.8
107.08607	1.2
109.06510	4.0
109.10155	1.0
111.04486	0.8
115.05434	2.4
116.99497	3.8
117.06987	3.0
119.04919	1.1
119.08603	1.2
121.02836	0.6
121.06479	6.9
121.10137	1.0
122.03645	9.3
123.04405	1.2
123.08095	1.6
128.06190	1.0
129.06955	1.0
131.04921	24.3
131.08575	1.1
133.06482	39.9
135.08044	12.6
135.09007	1.2
136.05246	0.7
137.05969	100.0
138.06345	1.1
143.04880	1.7
143.08495	1.0
145.06451	8.8
147.04375	1.1
147.08046	2.6
149.05978	2.2
149.13321	0.7
151.06401	0.5
151.07535	12.5
157.06429	4.0
161.06012	0.7
162.06844	0.9
163.07535	55.8
164.07901	1.2
165.05600	0.8
165.09087	1.0
167.06798	0.6
168.37569	0.7
171.08023	1.8
173.06047	0.9
174.06801	1.2
174.99220	6.9
175.07590	3.5
177.09099	1.6
179.16368	0.6
181.06421	0.9
187.07571	1.7
188.08302	0.7
189.09108	2.2
202.07808	0.8
203.10649	1.9
207.07986	1.3
220.08789	1.0
221.06032	1.8
221.09486	0.9
235.11014	2.9
245.09534	0.8
249.05475	1.0
263.10651	4.2
268.07397	0.8
287.05493	0.8
295.06009	1.7
295.09940	1.0
295.13211	7.3
327.07123	0.6
327.12262	1.5
327.15903	5.6
327.19534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1229
Annotation	Moracin P
Peak:m/z	Relative Intensity
52.54383	0.6
53.03931	0.7
54.43655	0.6
55.01872	0.9
55.05510	1.2
59.05000	1.8
67.05493	1.8
68.16703	0.6
68.99790	2.5
69.07069	2.6
69.98427	0.7
71.32109	1.4
79.05499	2.2
81.03418	0.8
81.07055	2.1
84.14417	0.5
91.05470	2.3
93.07042	1.8
95.04961	0.9
95.08602	1.8
97.06556	1.0
98.98466	100.0
103.05460	0.7
105.07037	1.6
107.04962	1.9
107.08624	1.4
109.10147	1.2
115.05382	0.6
116.99492	4.9
117.07047	0.6
119.08554	1.3
121.10130	0.8
123.04436	4.1
127.03891	0.8
128.06227	1.4
129.07024	1.5
131.04926	2.0
131.08527	1.2
133.10143	1.0
134.03682	0.8
135.04419	2.8
137.02351	7.2
137.05989	1.3
140.01062	0.6
141.06995	1.1
143.08545	1.1
145.06465	1.7
147.04408	4.9
149.02350	2.0
149.05971	2.4
153.06972	2.5
157.06502	2.6
159.04393	1.0
159.08034	1.7
160.05215	11.0
161.05875	1.3
163.07608	0.7
165.06953	1.0
169.06441	0.8
171.08078	3.2
172.08649	0.6
173.05992	1.2
174.99226	7.7
181.06470	2.2
183.08128	1.2
184.05196	1.3
185.05981	8.3
187.03859	0.7
187.07547	0.9
189.05388	0.7
191.10716	3.9
193.10052	0.7
197.05937	1.2
198.06760	1.1
199.07556	4.6
200.08409	1.6
210.06738	1.1
211.07512	4.1
212.07843	0.7
213.05414	1.6
218.09375	4.2
221.06061	1.1
226.06218	2.9
227.06949	7.0
238.06064	0.8
239.07039	12.2
240.07442	2.1
241.08563	0.7
243.06250	0.7
249.08905	0.7
251.00034	1.6
251.07149	0.8
253.04980	0.8
255.06506	29.8
256.06882	5.8
258.76865	0.7
259.06073	0.9
263.10645	1.4
266.05750	2.8
266.09262	1.2
267.06549	2.2
268.07089	1.6
269.07660	3.6
281.11749	7.6
291.10223	0.7
293.07910	1.6
294.08334	3.7
299.12714	1.3
309.11124	3.5
327.12241	99.8
328.12619	2.9
339.35599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1226
Annotation	omega-Hydroxymoracin N
Peak:m/z	Relative Intensity
51.50640	0.7
55.01860	2.2
55.05497	1.9
57.03407	0.7
57.07059	0.6
65.03911	0.9
67.05494	3.2
68.99769	0.7
69.03433	0.8
69.07060	2.0
69.86264	1.2
69.86674	2.2
71.04979	1.5
76.78887	0.6
79.05490	4.7
81.03392	1.0
81.07051	7.1
83.04952	1.2
85.06531	0.9
91.05500	3.2
93.07043	3.3
95.04978	2.0
95.08595	2.7
97.06522	0.9
97.10158	1.0
98.98460	100.0
105.07050	2.7
107.04948	2.3
107.08595	1.7
109.06494	5.4
109.10170	1.0
115.05510	0.9
116.99506	4.2
117.07024	0.9
119.08555	1.6
121.02846	0.7
121.10113	1.2
123.04398	3.4
123.08041	1.1
124.20961	0.6
128.06140	0.8
129.06996	2.1
131.04929	0.7
131.08545	0.9
133.02852	1.3
133.06470	1.2
133.10147	1.4
134.03677	0.7
135.04431	0.6
135.08035	4.9
137.02354	0.8
137.09560	1.0
140.01064	0.6
141.06934	0.8
142.50531	0.6
143.08508	0.9
145.06488	1.8
145.10097	0.8
147.04408	3.4
147.08014	1.4
147.11717	0.7
149.02367	1.1
153.07024	1.2
155.08487	0.6
157.06479	1.5
157.36783	0.6
159.04465	0.6
160.01021	0.6
161.05989	1.3
165.07019	1.7
169.06549	0.8
171.02950	0.7
171.04327	1.2
171.08063	2.1
171.11650	0.7
173.05972	1.8
174.99219	10.1
175.07539	1.9
181.06496	2.4
182.07301	1.4
183.08098	1.2
183.11560	0.6
185.05911	0.7
189.09041	0.7
197.05995	1.6
199.07469	2.7
202.07831	0.7
210.06808	1.8
211.07515	3.6
213.05518	0.6
221.06047	0.9
223.07620	1.3
224.28458	0.6
225.05354	0.7
225.09000	0.6
226.06161	3.8
227.03368	1.6
227.07005	7.1
228.07376	1.1
235.11156	0.8
239.07014	6.2
239.10681	0.9
242.05708	1.0
245.09612	1.0
245.18945	0.7
248.08423	1.3
249.09003	0.6
251.00073	1.1
252.08011	0.7
253.08827	0.6
253.12158	0.9
255.06511	27.4
256.06818	5.9
263.10770	2.6
265.08557	0.9
266.05798	5.9
266.09344	2.0
267.06537	2.2
273.18475	1.6
279.06436	1.1
280.07355	2.2
281.11801	4.1
291.10117	2.3
291.19431	1.2
294.08777	1.1
309.11176	34.6
309.16547	1.5
310.11566	1.6
327.08743	1.0
327.12296	6.6
327.16022	1.0
327.23163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1225
Annotation	R1128C
Peak:m/z	Relative Intensity
53.00283	0.8
55.01855	0.9
55.05508	1.3
67.05484	1.1
67.77707	0.7
68.99786	6.5
69.07066	20.5
70.83929	1.8
77.03936	0.9
78.41640	0.8
79.05485	1.5
81.07055	1.8
82.97300	0.7
87.79002	0.7
91.05473	3.4
93.07016	1.0
95.04942	1.0
95.08628	1.5
98.98466	100.0
105.07014	2.1
107.04990	1.0
114.34770	0.7
116.99511	3.1
117.07029	1.4
119.04952	1.8
119.08584	1.6
127.03934	1.1
128.06198	2.3
129.07013	4.6
131.08568	1.7
133.02820	0.9
135.04359	1.3
137.02362	2.4
140.01027	0.8
143.08563	4.1
145.06485	3.4
147.04414	3.6
147.08031	4.6
149.02316	4.8
157.06442	1.1
159.08095	1.0
160.05190	1.2
161.06004	1.7
161.09581	1.9
169.06499	1.5
171.08044	2.2
173.06012	6.5
174.06790	0.9
174.99228	9.1
175.03900	6.9
175.07549	8.3
189.09158	3.6
197.06007	5.9
198.06625	1.1
199.07564	8.5
199.87410	0.9
201.05438	8.0
213.05457	0.9
215.07007	4.4
217.08591	30.6
225.05466	3.2
243.06537	15.9
250.99921	0.8
255.06322	0.8
259.06003	2.9
271.05969	13.7
272.06461	0.8
281.11813	0.9
299.12827	7.6
327.08484	1.7
327.12192	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	omega-Hydroxymoracin N
Peak:m/z	Relative Intensity
53.03944	0.8
53.83109	0.5
55.01863	0.9
55.05501	1.5
56.96575	0.6
57.03445	0.7
67.05510	4.3
69.03412	1.3
69.07062	2.1
70.64104	0.6
71.04981	0.9
79.05486	4.7
81.03431	1.1
81.07060	9.2
82.46766	0.6
83.04990	0.8
83.08612	1.0
85.06540	0.9
91.05471	3.4
93.07023	3.1
95.04987	1.9
95.08606	2.2
97.06507	1.2
98.98463	100.0
105.07027	2.3
107.04946	2.1
107.08594	1.8
109.02891	0.8
109.06516	6.0
109.10222	0.8
111.04461	0.6
115.07557	0.7
116.99514	4.3
117.06974	1.5
119.08573	2.7
121.02872	0.9
121.10136	1.2
123.04432	4.6
123.08060	1.9
123.65969	0.7
125.09654	0.8
128.06227	1.5
129.07048	1.3
129.80028	0.6
131.04881	0.8
131.08585	1.1
133.06522	1.2
133.10117	1.0
134.03661	0.8
135.04454	0.7
135.08072	2.0
137.02354	0.9
140.01076	1.2
141.07016	1.0
141.46313	0.7
143.08537	1.8
145.06508	0.6
145.10115	1.2
147.04437	2.0
147.08099	1.2
149.02388	0.7
152.06287	0.7
153.05524	0.7
153.06976	1.2
155.08545	0.8
157.06537	0.8
159.11697	0.7
160.05176	0.7
161.05911	0.9
165.06981	1.1
171.04480	1.2
171.08052	1.8
173.05977	1.0
174.99229	9.3
175.07581	2.5
178.07909	0.6
181.06557	1.8
182.07237	1.1
183.08083	1.9
186.27727	0.6
188.78278	0.6
189.09015	0.9
189.58719	0.6
197.05998	0.8
198.21817	0.6
199.07578	1.7
201.05428	0.7
202.07745	0.7
210.06830	1.4
211.07521	2.5
213.05453	0.9
217.06577	0.8
220.08777	0.9
221.06075	0.7
221.09789	0.7
225.05614	0.7
226.06154	3.1
227.03377	0.8
227.06999	4.5
228.07321	1.4
238.09981	0.8
239.06961	4.9
239.10793	0.8
242.05714	1.2
248.08392	1.5
250.99986	0.8
253.08586	1.3
253.12306	1.9
255.06499	27.3
256.06927	5.5
257.07446	0.8
263.10712	2.7
266.05777	5.5
266.09360	2.0
267.06461	2.3
276.07837	0.7
280.07309	2.3
281.08603	1.0
281.11789	4.4
291.10147	3.3
291.19556	1.5
294.08942	1.0
309.11197	28.6
310.11700	1.4
327.12320	6.2
327.19577	0.7
327.65997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
62.31301	0.9
62.63279	0.9
62.91192	1.0
63.54458	1.0
63.77267	1.0
67.05492	2.2
68.99792	11.7
69.07064	47.4
69.95415	2.1
69.95812	4.9
79.05488	2.0
81.07050	2.5
83.04969	1.0
89.32706	1.0
91.05475	4.4
92.05918	1.1
95.08593	1.4
98.98462	100.0
103.05447	1.6
105.03381	2.1
105.07026	5.7
107.04991	1.5
115.05440	1.3
116.99465	2.8
117.07031	1.1
119.04933	5.1
119.08583	3.3
121.02895	1.4
121.06457	1.3
121.10048	1.3
123.04435	2.3
127.03867	1.7
128.06233	4.7
129.06981	6.7
131.08572	3.1
133.06502	5.0
133.10141	1.2
135.04443	1.6
137.02359	3.3
141.07005	2.2
143.08560	7.5
145.06525	5.0
147.04428	4.9
147.08049	8.4
149.02361	9.9
157.06535	1.2
160.05206	1.1
161.02367	1.7
161.05995	3.3
161.09605	1.7
162.03160	2.0
165.05428	1.4
169.06522	3.1
171.08034	4.9
173.05988	13.8
174.99219	8.1
175.03902	15.7
175.07545	17.8
184.05191	1.3
185.05910	1.5
186.95355	1.4
187.07541	3.0
189.05508	1.6
189.09091	5.0
197.06006	10.7
199.07558	16.3
201.05444	19.7
202.06262	1.4
204.65131	1.1
208.89975	1.1
213.05493	1.1
214.47675	1.0
215.07019	6.6
217.08594	68.7
218.09052	1.9
225.05443	5.4
227.07095	2.0
229.04941	2.1
243.06508	37.5
253.12318	1.9
259.06033	4.7
271.06003	29.3
271.08801	1.8
281.11801	3.9
299.12747	16.6
311.72229	1.1
327.12234	22.3
327.15979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
57.03429	3.1
60.04522	7.4
61.02930	9.8
68.05036	5.2
69.03075	1.5
69.03427	21.5
70.06580	2.0
70.19202	4.7
71.04984	1.9
73.02917	3.4
80.05009	9.9
81.03397	3.4
82.06571	9.9
85.02903	25.6
86.06051	2.3
87.04440	1.7
90.05508	1.0
91.03956	6.4
97.02887	10.0
98.06040	2.3
98.98463	40.5
99.04488	1.4
100.07630	1.4
102.05537	2.5
109.02863	3.1
110.06045	12.3
116.99528	1.5
122.96838	0.9
127.03925	4.6
128.07088	7.3
132.95448	1.0
145.04929	4.3
146.08109	24.6
164.09187	100.0
165.09451	1.9
174.99232	2.9
188.09238	1.4
206.10381	1.2
290.12292	1.5
326.14417	20.0
327.14978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1443
Annotation	4-O-|A-D-Glucopyranosylmoranoline
Peak:m/z	Relative Intensity
52.11520	0.2
53.03926	0.6
55.01857	0.9
55.05499	0.3
56.05028	0.4
56.96570	0.2
57.03441	2.1
58.06585	0.3
58.12717	0.2
58.45434	0.2
60.04521	7.5
61.02923	12.9
67.04249	0.2
67.05488	0.5
68.05025	4.1
68.39445	0.2
68.91193	0.2
69.03426	16.3
69.22533	0.2
70.06608	0.4
71.04981	1.5
71.16075	0.4
71.16417	0.3
72.04503	0.7
73.02915	4.1
74.06060	0.5
80.05012	10.0
81.03416	3.1
82.06577	8.1
83.01348	0.3
83.04978	0.6
84.04477	0.4
85.02901	18.6
86.03293	0.2
86.06059	1.7
87.04464	1.1
90.05534	0.9
91.03951	7.0
92.04970	0.2
97.02889	9.0
97.03522	0.5
98.06055	1.6
98.97569	0.3
98.98458	0.9
99.04427	1.4
100.07622	1.6
101.02348	0.6
102.05527	2.8
109.02868	1.4
110.06037	12.1
113.03486	0.5
115.03903	0.4
116.07135	0.2
116.98573	0.3
127.03915	3.6
128.07071	8.9
144.06488	0.3
145.04944	2.7
146.08116	22.3
147.08459	0.3
163.65987	0.2
164.09177	100.0
165.09566	1.5
177.00925	0.3
188.09219	0.8
206.10277	1.0
219.01994	0.9
220.02060	0.2
236.00131	0.9
236.99796	0.5
254.01047	0.3
260.00137	0.8
260.99875	0.7
261.03076	0.8
262.03113	0.4
263.03119	0.3
273.55988	0.2
277.01080	0.3
278.01099	1.7
279.00980	0.9
284.00092	2.6
284.99866	1.1
290.12167	1.0
301.01019	0.7
302.01166	6.7
303.00928	3.5
308.13290	1.1
320.02322	0.8
321.02240	0.3
325.02948	0.4
326.14438	21.2
327.14908	0.3
344.02243	1.1
345.01871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03935	4.5
54.07576	2.2
55.01859	7.4
55.05508	59.7
57.03427	9.1
57.07067	4.6
67.05503	79.9
69.03414	5.8
69.07063	15.5
70.19112	12.8
71.04998	3.4
79.05490	41.8
81.07055	100.0
83.04988	6.7
83.08611	35.0
85.06543	4.4
91.05478	22.4
93.07041	39.5
95.04968	6.5
95.08601	30.4
97.06519	2.7
97.10161	58.1
99.08071	4.4
105.07038	17.1
107.04893	3.4
107.08576	32.0
109.06510	4.9
109.10147	17.6
111.08084	6.0
117.07011	11.0
119.08582	13.3
121.10141	26.8
123.08040	3.2
123.11700	32.1
125.09624	50.5
131.08542	13.2
133.10130	10.9
135.08047	7.2
135.11726	15.8
135.43504	2.7
137.09634	3.4
143.10701	3.4
145.10146	9.6
147.11639	6.3
149.02295	4.6
149.09590	7.6
149.13246	8.8
153.09074	4.6
157.10071	3.0
159.11679	9.2
163.11168	3.1
173.13307	5.4
183.11620	2.5
189.11218	49.5
193.12221	3.0
203.12735	3.6
205.19525	3.9
215.17992	9.8
233.19046	19.7
275.20078	21.8
289.18073	3.3
293.21207	20.6
293.82480	2.7
307.22586	4.5
325.23926	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.0
55.05507	68.7
67.05503	100.0
69.03426	10.5
69.07068	58.7
70.00261	27.7
70.00669	15.0
70.62284	8.1
71.04977	8.6
79.05489	59.3
81.03410	19.3
81.07058	74.6
83.04977	11.6
83.08613	25.6
83.55226	7.1
91.05479	38.8
93.07035	62.8
95.04970	50.9
95.08610	54.3
97.06525	15.5
97.10172	28.3
105.07036	38.5
107.04947	20.1
107.08573	30.9
109.06509	9.5
109.10159	52.8
111.04421	9.9
117.07061	12.9
119.08593	31.5
121.10153	30.5
123.08108	15.2
123.11731	8.6
125.09574	16.9
125.88591	8.1
127.51311	8.1
129.07005	9.6
131.08546	19.5
133.10124	25.8
135.08031	15.6
137.09613	25.9
139.11221	13.7
145.10100	16.4
147.08034	9.8
147.11647	10.7
149.02365	11.5
149.09624	25.3
159.11670	12.5
163.03925	8.3
163.11162	14.0
167.03406	9.2
173.13243	8.9
198.41165	8.8
203.12811	13.5
275.20035	54.3
293.21146	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.01863	22.3
55.05310	5.1
55.05513	55.6
57.03428	14.2
57.07066	8.2
57.99955	5.6
59.41623	6.0
67.05505	69.1
67.10328	5.1
69.03385	6.7
69.07053	57.2
70.48954	18.3
71.04990	16.1
75.64675	5.9
79.05503	37.9
81.03404	7.6
81.07054	100.0
83.04964	17.4
83.08610	21.2
85.06532	11.5
91.05475	50.3
93.07032	61.5
95.04977	22.6
95.08599	67.6
97.06522	25.0
97.10181	14.9
99.08142	6.1
105.07019	44.0
107.08599	42.7
109.06501	20.4
109.10158	27.9
111.08067	15.5
117.07029	11.4
119.08590	37.2
121.06501	10.4
121.10155	37.2
123.08064	12.1
123.11675	10.0
125.09631	17.9
131.08577	25.1
133.10089	22.5
135.08098	9.6
135.11664	24.9
137.09608	12.5
139.11153	11.8
145.10121	19.3
147.11676	22.3
149.09630	15.2
153.09129	7.2
153.12752	7.2
155.08688	7.2
161.13205	8.7
163.11172	15.8
173.13300	9.3
185.13216	7.4
224.13805	6.5
239.18027	7.6
241.02423	6.8
257.19025	10.7
263.20038	13.4
265.21478	5.8
275.20038	76.4
293.21194	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	18.2
55.05497	44.6
67.05498	81.5
69.03406	12.5
69.07064	59.0
71.04976	14.6
71.58388	17.5
73.06547	25.7
79.05489	61.3
81.07049	100.0
82.13419	12.5
83.04993	14.6
83.08622	45.0
91.05473	42.5
93.07031	77.7
94.66775	16.1
95.04939	31.0
95.08602	86.4
97.02892	15.2
97.06561	16.4
105.07026	44.9
107.04958	47.3
107.08590	61.0
109.06531	39.8
109.10160	29.5
117.06997	24.9
119.08603	42.4
121.10154	36.1
127.91534	13.6
131.08537	30.0
133.10133	32.5
135.11687	20.2
137.09616	19.9
143.08592	18.7
145.10172	24.9
147.11710	33.5
157.10147	17.2
163.11180	21.6
167.03294	20.1
219.10107	17.9
257.18973	16.2
275.20010	71.7
293.21094	25.9
307.22668	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
52.50472	4.1
53.03939	7.3
55.01880	23.4
55.05268	4.6
55.05513	73.4
56.96574	4.2
57.03429	35.0
57.07059	5.5
62.52391	3.6
65.03921	8.5
67.05509	83.7
69.03423	13.3
69.07059	26.6
71.03062	7.2
71.03405	5.3
71.04976	13.7
79.05497	71.5
81.03409	14.0
81.07061	50.0
81.36404	3.7
83.04972	17.6
83.08620	39.0
85.06534	10.8
86.09694	5.0
87.29392	3.6
91.05483	59.1
93.06550	4.5
93.07053	42.7
95.01317	7.5
95.04972	42.3
95.08614	41.2
97.06524	27.8
97.10172	48.2
105.07034	46.1
107.04941	36.3
107.08572	37.2
109.06528	31.2
109.10151	25.2
111.04446	6.6
111.08049	4.9
113.09513	4.4
115.05474	5.4
117.07012	20.2
119.04967	4.5
119.08582	34.4
121.02863	4.4
121.06512	23.4
121.10132	11.9
123.04414	9.5
123.08069	28.7
125.09625	37.5
129.07034	10.0
131.08546	24.6
133.06480	12.1
133.10158	19.6
135.08055	37.2
135.11731	8.7
137.05997	6.1
137.09607	18.9
141.06952	5.9
143.08601	7.2
145.10136	13.6
147.04454	5.1
147.08060	22.3
147.11703	18.8
149.02348	17.7
149.09622	7.9
153.09053	6.7
155.08575	7.2
157.10092	9.3
159.08066	99.6
159.11674	9.4
161.06102	5.6
161.09627	9.7
163.07578	27.0
163.11235	6.6
169.10097	5.5
171.11690	8.6
173.09573	12.1
175.11203	8.2
177.09088	11.7
185.09608	12.6
185.13194	5.0
189.09302	5.5
189.11211	16.7
191.10619	4.5
193.12375	5.1
215.14378	7.3
218.29802	4.0
219.13823	7.0
233.15344	11.7
237.14796	12.3
243.06563	4.5
243.17409	8.4
253.15894	20.4
271.16943	31.7
273.18491	16.5
275.20117	20.5
289.17975	100.0
295.19553	5.9
307.09616	11.4
307.19061	63.4
307.22433	8.1
325.10645	17.9
325.14114	6.6
325.20050	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03942	11.3
55.01863	22.5
55.05512	45.8
57.03432	22.6
65.03957	6.7
67.05502	72.1
69.03419	27.4
69.07061	28.9
69.84649	35.2
71.04993	26.3
79.05492	84.3
81.03410	14.5
81.07052	73.0
82.04218	8.2
83.04980	20.0
83.08601	14.4
85.06541	6.9
91.05482	72.2
93.07032	61.3
95.04967	47.7
95.08612	61.5
97.06532	21.6
97.10185	15.1
99.52105	5.9
105.07022	68.9
107.04963	70.6
107.08578	30.0
108.05695	7.7
109.06519	43.4
109.10168	15.1
111.04459	5.3
111.08016	6.1
111.23135	5.6
115.05543	6.5
117.06980	26.6
119.08550	30.8
121.06511	52.1
121.10142	20.2
123.04439	7.2
123.08060	23.8
123.11670	6.5
125.09645	9.2
129.07037	11.9
131.08560	47.2
133.06534	12.8
133.10153	22.9
135.08075	27.0
137.09558	11.4
138.74556	6.8
139.07481	8.3
141.07004	7.9
143.08585	22.4
143.41765	5.1
145.06474	8.1
145.10132	19.3
147.08023	17.9
147.11684	16.6
149.09615	18.4
149.13240	8.0
157.10072	9.4
159.08115	11.0
159.11723	12.3
161.09604	12.3
169.10143	7.9
171.11644	6.7
173.13324	7.1
175.11205	6.1
201.12701	9.6
204.67880	5.7
219.13776	14.7
231.13832	7.2
255.06409	10.4
273.18488	100.0
289.17941	8.9
291.19672	6.6
307.19098	9.7
325.20181	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03920	4.6
55.01857	13.2
55.05518	19.5
57.03435	20.0
59.04996	3.0
67.05500	46.4
69.03423	5.9
69.07058	12.4
70.64655	7.2
70.64986	3.1
71.04983	10.4
79.05498	28.3
81.03417	34.1
81.07052	37.1
83.04964	10.0
83.08613	12.2
85.02880	4.5
85.06538	8.3
91.05481	31.2
93.07030	27.3
95.04962	30.4
95.08601	37.9
97.06512	6.6
97.10173	16.6
105.07034	25.5
107.04948	43.0
107.08605	18.6
109.02872	3.7
109.06518	100.0
109.10135	13.1
111.08097	5.2
113.05996	15.8
117.06998	9.3
119.04933	4.9
119.08580	17.3
121.06506	20.5
121.10126	9.6
123.04411	5.3
123.08064	52.6
125.09631	14.8
129.07016	6.9
131.08543	11.3
133.06456	7.6
133.10109	7.6
135.08070	9.6
135.11691	8.2
137.02351	3.4
137.06017	3.5
137.09599	12.3
141.09138	20.9
143.08594	4.7
145.06416	4.8
145.10133	8.3
147.04398	14.0
147.08063	8.7
149.02275	3.6
149.05977	5.3
149.09595	3.6
151.07559	6.4
153.09074	8.7
157.10075	5.9
159.08044	21.0
159.11816	4.0
161.09578	9.2
163.07564	16.2
163.11154	5.8
165.09175	7.6
169.10153	4.3
171.08014	3.6
173.13222	4.3
175.07550	4.7
175.11180	6.2
177.12650	5.3
181.12251	3.3
185.09515	3.8
185.13226	3.9
187.07585	4.4
187.11151	4.4
189.09125	7.5
189.11267	8.4
191.10678	4.1
205.06441	3.4
215.07019	9.3
215.14384	3.9
217.12221	4.1
219.10126	4.7
223.13220	7.0
225.16496	3.6
233.09795	3.0
233.15327	7.9
235.13248	4.1
253.08475	7.4
253.15915	3.8
261.18469	6.5
269.08267	3.7
271.16815	12.2
279.10123	4.5
289.17957	33.0
297.11166	10.1
307.13367	3.5
307.19022	31.7
325.10648	14.2
325.14328	13.5
325.20215	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
51.36358	5.8
53.03929	11.2
53.05237	5.9
55.01868	48.4
55.05515	37.2
57.03423	27.0
58.82537	8.1
67.05499	75.7
69.07052	26.3
70.31966	25.4
79.05487	81.2
80.06235	8.9
81.03407	8.7
81.07058	86.3
83.04955	30.2
91.05464	77.0
93.07040	52.2
95.04972	72.2
95.08594	42.4
97.10155	13.8
98.07312	9.0
98.21389	9.6
105.07023	52.2
107.04941	100.0
107.08564	32.2
109.06525	46.4
109.10144	17.0
112.05203	14.3
117.07008	29.9
119.08585	37.1
121.06498	22.6
121.10080	9.6
122.07268	27.4
123.04433	8.8
123.07986	7.7
125.09636	9.7
129.06996	13.3
131.08551	29.9
133.06479	27.3
133.10078	11.7
135.08047	19.8
135.11674	8.0
137.09622	19.1
141.07004	8.0
143.08557	15.7
145.06488	23.6
145.10144	19.5
147.08063	35.7
149.02293	6.8
159.11674	8.7
161.09579	24.1
161.13203	8.1
163.11035	7.2
165.09164	8.9
171.11635	9.2
173.13190	10.9
175.11069	7.0
179.30640	6.4
187.14870	10.6
197.13443	7.0
204.45352	7.5
205.15771	8.5
215.14291	10.4
233.15361	72.2
241.05070	7.4
274.32104	6.6
283.05835	7.4
290.18741	8.5
324.40826	7.3
325.10660	20.4
344.45502	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2006
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
55.01883	6.0
55.05501	12.6
57.03421	2.9
67.05496	18.8
68.99790	3.5
69.07057	8.5
71.04976	3.6
79.05487	33.7
81.03414	6.0
81.07060	18.5
83.04963	7.4
83.08589	3.9
91.05468	17.9
93.07047	17.1
95.04971	13.8
95.08574	10.0
97.06500	4.7
97.10135	7.8
101.11534	2.4
105.07044	18.9
107.04956	22.9
107.08579	9.1
109.06479	7.3
109.10103	2.9
110.96056	2.7
115.05457	2.7
117.06997	11.9
119.08541	12.9
121.06500	5.7
121.10150	5.5
123.08057	5.2
125.09611	6.0
128.06232	5.0
129.06993	11.5
131.04936	3.5
131.08591	6.0
133.06482	8.3
133.10144	4.8
135.08006	6.1
141.07028	4.7
145.06450	3.9
145.10098	9.3
147.08058	7.5
149.02341	17.3
157.06479	8.2
159.08060	4.0
161.09575	7.1
163.07521	7.2
169.10080	4.2
175.11208	7.7
185.05998	7.9
189.11217	4.4
197.06018	5.2
213.05452	13.1
217.15895	5.1
225.05464	3.6
233.15300	10.3
241.04945	32.1
242.05690	25.8
243.06326	3.7
255.06648	3.3
267.06546	4.2
269.04382	16.6
270.05203	43.4
270.07895	3.7
271.05969	18.0
273.18533	12.5
281.04443	17.3
282.05228	3.4
289.18118	2.8
291.19513	16.2
293.08127	5.8
297.11127	22.7
300.98819	2.9
310.08279	8.0
311.09030	3.0
325.10672	100.0
325.14407	5.9
325.21530	5.8
325.25455	3.1
326.11160	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
55.01862	11.5
55.05505	26.4
56.96561	3.4
57.03431	15.8
63.31472	2.5
65.03927	5.2
67.05498	62.6
69.03425	13.1
69.07065	26.2
70.40540	13.1
71.04989	9.6
79.05493	46.5
81.03408	11.8
81.07050	92.3
83.04982	8.1
83.08620	12.0
85.02892	8.9
85.06525	4.6
88.93775	2.6
91.05473	40.8
93.07041	41.1
95.04962	35.9
95.08605	70.3
97.02908	4.7
97.06512	15.0
97.10159	10.8
99.08143	4.0
103.05467	5.9
105.07018	26.0
107.04955	24.2
107.08572	24.7
107.98460	3.0
109.06515	38.9
109.10130	22.2
111.04447	5.9
111.08069	9.7
115.05484	3.9
117.06981	14.2
119.04960	7.3
119.08569	20.4
121.02824	8.3
121.06500	9.8
121.10133	16.1
123.04424	22.0
123.08062	100.0
123.11736	4.0
124.36932	3.4
125.09622	7.7
127.07512	3.9
128.06134	4.5
129.07004	6.0
131.04918	3.6
131.08583	10.6
133.06512	4.5
133.10133	13.0
135.04401	7.4
135.08035	14.9
135.11676	6.7
137.05978	8.0
137.09622	12.7
137.13264	3.2
139.07545	2.9
139.11188	5.7
140.41017	2.8
141.06940	3.9
141.09088	14.0
142.07785	4.1
143.08560	7.6
145.06439	5.7
145.10150	7.2
147.04411	9.0
147.08073	11.5
147.11754	4.5
149.02309	33.1
149.05992	8.3
149.09599	5.6
151.07549	39.7
151.11188	4.6
153.09119	4.2
155.08566	7.4
155.10718	3.5
157.06439	3.3
157.10149	7.3
159.04417	8.0
159.07988	5.2
159.11746	6.2
161.05971	10.0
161.09596	5.3
163.03934	4.4
163.07549	8.1
165.07121	2.7
165.09038	5.1
166.43665	3.2
167.10646	7.9
169.08594	4.4
171.07977	5.7
171.11740	6.2
173.09615	6.3
173.11763	3.7
177.09134	3.6
179.10703	5.2
181.06570	3.6
181.10126	4.7
183.11694	5.5
187.07544	4.1
187.11166	3.7
189.09195	4.1
189.11137	3.9
189.12712	3.6
191.08511	2.7
191.10609	6.3
195.08180	4.6
197.05942	3.2
198.06775	4.2
199.07567	4.6
205.07620	4.0
215.07031	3.6
223.07495	4.2
223.13330	4.3
225.16295	5.9
229.15948	3.5
237.05595	3.4
241.08713	4.0
242.05634	4.6
243.17516	6.2
244.09746	3.7
247.16978	6.0
251.07079	5.3
255.06522	9.9
261.18478	7.5
263.16422	5.2
267.10330	3.2
267.20721	3.5
268.07373	6.5
269.08047	48.8
270.08475	3.2
271.16888	17.4
279.19781	3.3
283.09558	4.0
289.17932	50.0
293.08023	16.0
297.11188	7.3
307.09753	4.8
307.13290	3.3
307.19052	20.2
325.07370	3.9
325.10614	10.4
325.14172	30.1
325.20297	5.8
326.11453	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
56.60104	0.6
57.07078	0.6
62.06101	0.9
65.03928	0.9
67.05505	2.7
68.56054	0.6
69.07066	4.4
71.50215	0.8
79.05491	2.4
81.07058	2.9
83.08613	1.1
91.05475	13.0
93.07076	1.6
95.08592	1.9
97.10167	1.3
103.05460	0.7
105.07014	9.0
107.04931	1.6
107.08548	0.7
109.10161	1.1
111.08142	0.6
115.05448	0.6
117.07010	1.3
119.04940	17.4
119.08526	0.5
121.10108	0.8
131.04909	0.8
131.08563	0.6
133.06485	25.7
133.10109	0.8
134.06834	0.8
137.05968	1.7
145.06464	1.4
148.14532	0.6
149.05974	95.2
150.06290	1.5
173.09531	1.2
175.07520	3.6
189.16400	0.6
205.12228	100.0
206.12582	2.4
258.51535	0.6
263.23627	1.1
269.11725	2.8
293.20203	1.0
325.14566	0.7
325.17828	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03945	15.3
55.01860	8.6
55.05515	34.3
57.03442	11.6
67.05185	2.8
67.05513	47.8
69.03427	6.5
69.07085	14.1
69.07397	2.4
70.19768	11.2
71.05003	24.3
79.05066	4.4
79.05500	54.3
81.03429	29.3
81.07062	100.0
83.04988	24.0
83.08611	9.2
85.02852	3.1
91.05487	32.9
93.07044	36.9
95.04975	20.5
95.08604	51.4
97.06526	6.5
97.10170	5.7
98.55988	2.6
101.05995	4.3
105.07043	27.6
107.04958	30.1
107.08582	19.5
109.06532	38.5
109.10158	13.5
111.08064	11.0
113.05982	2.9
116.98466	2.8
117.07024	13.5
119.04922	3.1
119.08578	20.5
119.63425	2.5
121.06493	12.3
121.10151	16.8
122.60101	2.5
123.04456	13.9
123.08054	19.2
125.09620	6.8
125.24165	2.7
128.06216	2.3
129.07002	5.9
131.08571	16.5
131.98178	2.8
133.06467	5.3
133.10112	15.6
135.08043	11.0
135.11679	6.4
137.09645	5.9
141.06998	4.9
141.09140	2.6
142.07767	2.8
143.08566	7.3
145.06441	7.0
145.10101	9.2
147.08049	8.1
147.11685	4.6
149.05936	2.5
149.09604	5.3
151.07545	6.4
151.11171	2.8
157.06494	3.1
157.10127	3.5
159.08047	10.0
159.10197	5.0
159.11671	8.8
161.09605	8.7
161.13292	4.0
163.07536	8.0
169.10133	4.4
171.08168	3.6
171.11702	4.0
173.09523	3.1
173.13300	3.0
177.12805	3.9
179.10735	3.5
187.11174	6.7
191.14178	2.8
205.15663	2.3
207.13849	3.5
219.13820	3.6
231.13635	2.4
233.15382	8.0
241.14288	2.6
242.05702	3.0
243.17368	3.1
255.06538	6.7
261.18546	11.7
271.16907	9.9
279.19626	3.4
289.17999	27.3
307.19165	5.8
325.10709	10.7
325.14084	4.0
325.19907	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
53.42153	0.8
55.01871	2.0
55.05515	6.4
56.96558	0.8
57.03436	2.0
60.19205	1.0
67.05508	9.9
69.03430	1.2
69.07054	5.9
69.35888	2.2
69.36301	6.7
70.70366	1.1
71.05003	3.8
71.08614	1.0
73.53033	0.9
79.05495	7.6
81.03433	2.0
81.07059	10.4
83.04995	2.2
83.08627	2.5
84.46634	0.8
85.06547	1.5
91.05478	6.0
93.07043	6.5
95.04967	5.6
95.08611	16.2
97.06569	3.2
97.10194	2.9
98.21476	1.5
99.08143	1.4
105.07046	5.4
107.04959	72.4
107.08600	4.6
108.05301	1.8
109.06502	5.7
109.10195	3.6
111.04478	1.5
111.08092	1.8
113.06017	0.9
115.90891	0.9
117.07017	2.1
119.04990	1.3
119.08611	4.5
121.06550	2.0
121.10179	3.1
122.06050	1.6
123.04487	1.5
123.08057	5.3
123.11742	1.8
125.06020	1.2
125.09699	1.8
128.06236	1.5
131.04941	1.6
131.08554	2.0
131.66103	0.9
133.10181	2.1
135.08070	2.0
135.11725	1.7
137.09612	1.0
139.11186	1.0
143.08568	2.2
145.06520	1.4
145.10164	1.9
147.04443	1.1
147.08058	2.2
149.06065	3.3
149.09697	1.1
151.07565	1.6
151.11115	0.9
153.51454	1.0
155.08531	1.0
159.08109	1.2
161.09712	1.4
161.80629	0.9
163.07608	3.0
163.45242	1.0
165.05618	2.4
169.10120	1.3
171.08145	2.9
171.11731	1.0
173.06487	0.9
173.09657	1.1
175.11143	1.1
177.05548	1.2
177.09177	1.5
185.09770	1.0
187.08305	1.1
189.09206	3.7
201.09154	2.2
203.10797	3.5
213.09764	1.3
219.10156	22.2
219.12206	1.5
233.15549	1.0
234.56284	1.0
243.14713	1.0
251.11375	3.0
253.08609	2.4
259.45642	1.0
261.18646	1.2
265.08701	1.3
269.12177	4.5
271.16995	1.6
281.17389	3.7
287.13583	2.9
289.18091	4.2
292.07462	1.1
293.08014	1.8
297.11404	1.0
307.09750	2.0
307.13367	1.8
307.19009	1.3
307.26584	1.1
325.07385	4.0
325.16339	100.0
326.16919	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90749	0.8
52.36365	0.7
52.46812	0.7
55.01867	3.7
55.05511	8.0
56.96551	1.0
57.03426	2.8
57.07066	1.9
61.43349	0.8
67.05499	8.3
69.03436	1.5
69.07059	8.6
71.02748	1.4
71.04980	2.3
71.08636	1.3
79.05495	5.9
81.03413	1.5
81.07050	12.6
83.04983	2.2
83.08615	4.9
85.06531	2.1
91.05446	6.2
93.07027	8.8
95.04947	4.0
95.08596	14.3
95.09164	1.2
97.06531	2.7
97.10167	6.7
99.08092	2.3
105.07035	5.4
107.04922	6.8
107.08593	6.7
107.33083	0.8
109.06509	11.9
109.10136	7.0
109.16032	0.7
111.08080	2.6
113.06031	1.5
117.07025	2.7
119.04944	0.9
119.08573	4.0
121.02821	1.2
121.06515	1.6
121.10142	4.5
123.04446	2.3
123.08055	10.3
123.11731	2.7
123.75140	0.8
125.09637	2.9
129.07037	1.4
131.04970	1.4
131.08589	2.1
133.06497	1.1
133.10123	3.7
135.08054	2.1
135.11697	3.6
137.05965	1.5
137.09627	1.8
137.13264	1.5
139.11192	1.8
141.09103	2.0
143.08591	1.1
143.10712	0.8
145.10062	1.8
147.08046	2.0
147.11705	2.1
149.02330	7.1
149.05948	1.9
149.09583	1.7
149.13243	1.2
151.07541	2.1
151.11110	1.1
155.08624	0.9
157.10117	1.6
159.08089	1.3
159.11700	2.0
161.06058	0.8
161.09630	1.6
163.03976	1.0
163.07585	2.6
165.09134	1.1
169.10188	1.3
171.07971	1.0
171.11746	1.4
175.07599	1.1
175.11108	0.8
177.09109	2.8
185.13274	0.8
189.09160	1.2
197.13312	1.4
204.07388	1.5
205.07613	1.6
211.07776	1.1
219.10184	1.1
229.07419	1.1
243.14345	1.0
251.11237	2.4
261.18600	1.2
261.25696	0.8
263.16498	0.9
265.05423	0.8
269.08218	1.4
269.12262	3.6
271.16876	1.9
279.26831	1.5
281.17288	4.6
287.13409	1.5
289.18045	5.7
307.09717	0.8
307.19037	1.7
307.26303	1.9
325.16220	100.0
326.16534	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Eryvarin C
Peak:m/z	Relative Intensity
53.03940	1.3
55.01871	2.7
55.05510	6.3
57.03428	1.3
57.07043	0.9
65.03920	1.5
67.05500	7.2
68.99777	3.0
69.03427	3.1
69.07065	5.5
69.88425	3.5
71.04988	1.6
79.05495	8.1
80.13184	0.5
81.03403	2.4
81.07053	12.4
82.10262	0.6
83.04977	1.8
83.08606	3.1
85.02898	1.2
85.06539	1.3
89.35841	0.6
91.05476	9.1
93.07035	8.5
95.04973	3.6
95.08605	12.7
97.02872	0.9
97.06506	2.0
97.10175	4.4
99.08105	0.9
103.05460	2.4
105.04476	0.7
105.07024	6.1
107.04951	6.1
107.08589	5.8
109.02875	0.7
109.06519	2.1
109.10127	4.0
111.04423	1.1
111.08054	2.1
113.05977	0.8
115.05453	1.2
117.07002	1.9
119.04926	2.5
119.08590	6.5
121.02873	1.3
121.06508	4.1
121.10139	3.3
121.48605	0.6
123.04442	4.1
123.08060	3.7
123.11708	1.2
125.09602	2.5
126.50938	0.5
127.03891	0.9
128.06216	4.0
129.06998	1.3
131.04932	1.7
131.08548	2.3
133.02782	0.7
133.06497	1.0
133.10114	4.0
135.04422	3.7
135.08041	2.0
135.11707	1.7
135.45157	0.6
137.02417	0.6
137.05972	4.2
137.09612	1.6
137.13281	0.9
139.07457	0.8
139.11186	0.9
141.06970	0.7
141.09062	0.9
142.07764	0.7
143.08548	4.3
143.10696	0.7
145.06490	2.1
145.10123	2.0
146.07263	1.0
147.04398	18.7
147.08040	31.1
147.09212	1.5
147.11728	1.4
149.02339	8.2
149.05975	15.1
149.13268	1.0
151.07529	1.4
151.11195	1.0
153.09064	0.9
157.10130	1.1
159.08078	1.5
159.11652	1.6
161.05972	2.5
161.09592	4.9
163.03896	2.0
163.07526	3.1
163.11180	1.0
165.09007	0.8
167.07104	0.7
169.10069	1.1
171.08047	9.6
173.06009	1.8
173.09621	1.2
173.13202	0.7
174.06776	1.6
175.07507	1.5
177.09076	1.8
179.08490	0.7
183.11671	0.8
185.13493	0.6
189.09102	100.0
190.05070	0.7
190.09425	1.7
197.09642	0.9
199.07622	0.7
201.05423	0.8
201.09001	1.0
215.10609	3.2
219.10086	1.0
221.05923	0.8
222.06874	0.5
239.07019	0.9
253.08644	1.0
253.15804	0.9
255.06491	2.4
265.05542	0.6
265.08466	0.9
267.06589	0.7
269.07864	1.6
271.16934	1.1
279.09998	0.7
283.09674	0.9
289.17889	1.8
293.07993	0.8
297.11075	1.4
307.09476	1.1
307.13110	0.7
307.19043	1.2
307.22571	0.8
307.26425	0.9
325.06897	1.5
325.10678	4.6
325.14432	6.1
325.20233	1.4
325.24979	1.0
326.11096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
50.98204	0.5
55.01867	2.0
55.05503	1.6
67.05495	2.1
68.99790	1.2
69.03435	0.6
69.07065	4.9
71.58125	0.6
79.05056	0.6
79.05474	2.9
81.03416	1.0
81.07043	1.6
83.01347	1.2
83.08614	0.6
91.05495	1.8
93.07036	1.3
95.04958	2.9
95.08591	1.3
97.10146	0.7
97.59606	0.5
103.05462	2.5
105.03368	1.4
105.07031	1.9
107.04935	2.8
107.08602	1.4
108.26704	0.5
109.02872	2.4
109.10167	1.2
111.04424	1.2
115.05525	0.6
117.06947	0.7
119.08632	1.3
121.02872	1.0
123.04423	25.5
123.05325	1.4
128.06175	0.9
129.07008	0.9
131.04945	3.4
131.08562	0.8
133.06490	0.6
135.04434	5.4
137.02296	0.7
137.05981	0.9
142.58458	0.6
143.08633	1.5
145.06493	0.7
147.04402	11.8
149.02356	7.3
153.07022	1.0
157.06450	0.6
159.04414	13.1
159.11699	0.7
160.05199	2.2
161.05949	5.7
163.07549	2.1
167.08569	2.1
169.06532	0.8
170.07108	0.6
171.08058	2.3
173.06018	0.7
173.09641	1.3
177.09099	2.1
181.06485	1.2
184.05191	0.9
185.06039	0.8
185.09584	0.8
187.07538	1.9
191.10577	0.7
195.08031	4.2
197.06049	1.1
198.06776	2.3
199.07550	4.2
205.06511	0.7
213.05544	0.8
213.09048	3.4
215.07048	2.6
215.10715	0.7
223.07475	4.6
226.06200	3.6
227.07034	2.2
241.08604	6.9
251.07037	5.1
252.07857	0.9
254.05615	1.5
257.08005	1.4
269.08072	100.0
270.08398	2.1
289.17926	0.7
325.10812	1.5
325.14307	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	3-Prenyloxyemodin anthrone
Peak:m/z	Relative Intensity
50.58404	1.3
55.05506	2.5
57.07067	6.2
62.06075	1.6
67.05492	6.5
69.07072	100.0
69.95869	6.0
69.96294	3.2
70.00896	1.4
70.06589	1.7
71.04987	1.3
71.08611	1.5
79.05514	2.3
81.07043	6.7
82.97506	1.6
88.07646	2.8
91.05490	3.2
93.07024	2.5
95.04967	1.6
95.08612	3.7
105.07030	2.6
107.04961	9.0
107.08572	3.3
109.06577	1.8
109.10141	3.3
115.33720	1.6
119.08566	2.8
121.06556	1.6
123.04414	4.3
135.08139	1.5
147.08087	1.5
149.02338	8.5
163.03918	3.0
163.07477	1.9
189.09071	2.5
193.05006	15.1
194.05399	1.9
210.64140	4.6
215.10573	2.3
224.65552	2.8
229.08598	5.3
241.04948	2.4
256.07376	9.9
257.08121	18.8
269.08044	7.5
283.09515	2.4
289.18134	1.5
313.44937	1.6
316.25223	2.1
325.10660	3.5
325.14322	13.1
325.26086	16.8
325.76254	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
51.94584	0.6
65.03945	3.2
70.64730	1.0
90.19650	0.6
93.03411	2.0
121.02858	2.2
121.06504	0.7
123.08066	0.6
131.01279	3.5
137.60959	0.6
149.02350	41.7
165.87286	0.5
167.03412	100.0
205.08490	2.9
269.08099	36.8
270.08484	1.2
325.14325	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1431
Annotation	Glabridin
Peak:m/z	Relative Intensity
51.02377	0.9
51.72247	0.7
52.11092	0.7
53.26798	0.8
55.01860	1.8
55.05490	1.5
56.56972	0.8
57.03423	0.8
59.04979	3.2
61.08061	0.7
65.03915	1.3
67.05485	3.0
69.03415	1.5
69.07049	2.5
71.57877	1.3
77.60330	0.8
79.05476	4.2
81.03397	1.8
81.07046	5.7
85.06528	1.5
91.05479	10.8
93.07022	3.0
94.04171	3.4
95.04927	2.3
95.08591	3.9
103.05460	8.0
104.06216	2.6
105.03354	0.9
105.07010	5.0
107.04944	3.8
107.08576	2.0
109.06507	3.7
109.10126	2.1
111.08058	1.0
112.27951	0.8
115.05448	12.0
117.07014	10.2
119.08564	8.3
121.06493	0.8
121.10128	1.3
122.03651	9.4
123.08013	2.5
123.11701	0.9
125.09592	1.0
128.06189	5.1
129.07001	11.7
131.04924	16.9
131.08534	0.9
132.05714	6.1
133.06465	2.4
133.10120	1.1
135.08035	2.2
137.05974	100.0
137.12134	0.8
141.05966	1.5
141.06982	17.1
143.04918	1.3
143.54193	0.7
145.06441	5.2
146.03619	1.2
146.07228	1.3
147.04440	1.4
147.08043	29.5
149.05981	1.6
149.13261	0.9
151.07513	1.8
155.05977	0.9
157.06529	5.1
157.10051	0.9
158.07314	1.7
159.07986	1.1
159.11737	1.0
160.05215	5.6
161.06026	6.3
162.06572	0.9
163.03867	1.2
163.06300	1.3
163.07544	16.1
165.09099	0.9
169.05031	1.3
169.06480	27.4
170.07201	1.1
172.01784	0.8
175.07544	99.0
176.07933	1.3
186.06757	3.0
187.07538	3.7
188.08299	1.9
189.09085	13.3
190.07750	2.3
193.08607	1.3
201.09109	12.8
203.08484	0.9
205.10269	1.5
211.07492	0.9
215.08542	2.0
218.07288	1.1
231.08084	0.9
233.09741	6.2
235.07507	1.1
239.07060	1.5
251.10324	1.0
253.08714	1.1
255.06763	1.0
261.09036	4.2
265.08652	1.5
265.12247	2.7
278.09445	1.4
279.10214	1.0
289.17905	1.8
293.11618	5.0
294.12000	0.9
297.11246	2.1
307.09674	1.0
310.11856	0.7
325.10645	8.0
325.14264	46.2
326.06406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Eryvarin C
Peak:m/z	Relative Intensity
54.29128	1.2
55.01859	4.0
55.05518	6.1
57.03433	6.0
59.04991	1.6
59.99792	1.1
67.05504	11.4
69.03418	4.6
69.07059	6.3
69.24927	11.9
71.04996	1.7
77.03870	1.5
79.05492	8.0
81.03416	10.1
81.07056	13.1
83.04980	2.1
83.08609	2.8
85.02908	3.5
85.06556	6.0
89.03921	1.6
91.05482	18.0
93.07029	10.1
94.04198	3.2
95.04953	9.3
95.08612	16.6
96.08094	1.4
97.02906	1.6
97.06525	4.6
97.10162	3.3
103.05472	9.8
104.06226	2.5
104.15762	1.2
105.07025	8.1
107.04954	14.4
107.08598	7.7
108.08198	1.6
109.02885	1.4
109.06522	21.7
109.10165	8.8
111.04435	1.2
111.08086	3.0
113.05987	8.6
115.05443	11.4
116.04969	2.3
117.07015	12.1
119.04912	1.6
119.08591	12.6
121.02824	1.6
121.06477	4.4
121.10155	5.8
122.03645	7.3
123.04409	2.1
123.08070	13.3
123.11671	4.4
124.07555	6.3
125.09607	2.8
128.06213	4.3
129.07005	11.5
131.04927	15.6
131.08572	3.8
132.05696	5.1
133.06465	1.8
133.10074	3.6
134.08133	2.5
135.04408	2.6
135.08040	4.0
135.11690	2.5
136.07610	1.6
137.05974	100.0
137.09616	2.7
139.07466	1.5
141.06981	17.0
141.09100	3.8
143.08539	1.8
145.06467	4.5
145.10136	2.4
147.04387	1.7
147.08052	29.0
147.11745	3.4
149.05995	2.3
151.07516	6.1
153.09052	2.9
155.08577	2.7
157.06473	4.0
157.10054	1.5
159.08031	4.3
159.11723	3.0
160.05211	6.6
161.05948	7.0
161.09642	2.5
161.13327	1.7
163.03871	5.0
163.07558	18.0
163.11160	1.5
165.09151	3.1
169.06480	24.6
169.10007	1.8
170.07088	1.5
173.05917	2.3
175.07542	96.2
181.04970	1.5
186.06779	3.1
187.07567	3.6
188.08316	1.8
189.07245	2.3
189.09096	15.8
190.05003	7.9
190.07756	2.4
191.08226	1.7
191.10683	1.4
193.08592	2.8
194.07208	1.5
199.11082	1.8
201.09077	12.0
203.08562	1.4
205.06523	1.3
205.10156	1.9
207.44426	1.3
219.07950	1.5
233.09564	4.9
233.15437	2.0
235.13231	2.8
237.09261	1.8
253.08768	1.7
255.06424	2.0
261.09152	5.3
261.18558	1.8
264.07755	1.7
265.08722	2.8
265.12241	4.1
269.07883	1.6
271.16919	3.0
279.10544	1.5
289.14932	1.7
289.18039	7.7
293.08261	2.1
293.11609	4.7
297.11462	1.9
307.09601	2.5
307.19116	3.5
307.22787	1.5
325.10873	8.0
325.14346	52.2
326.06555	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
54.78595	0.3
56.96544	1.0
57.03424	0.5
61.02923	0.8
64.64774	0.4
69.03436	2.0
70.06557	0.6
70.75574	0.7
70.75890	0.4
73.02927	0.5
81.03405	0.5
85.02905	3.0
89.03857	0.4
91.05478	1.2
97.02864	1.2
98.97577	1.9
107.04990	0.5
116.98609	1.6
117.05729	0.7
118.06535	3.8
119.04964	0.4
123.04443	0.9
127.03891	0.5
128.98575	0.5
133.07608	4.9
134.99673	0.6
135.04420	0.4
137.05981	1.1
145.07602	100.0
146.06003	0.8
146.08427	2.6
146.99649	0.5
147.09189	0.8
155.04630	0.6
158.99709	0.6
162.05522	2.3
163.03886	1.1
163.05983	2.6
163.08661	63.4
164.05125	0.5
164.09073	0.4
177.00684	0.9
219.01811	0.7
237.02837	0.9
244.07867	0.4
298.46466	0.4
325.13934	61.8
326.14249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
54.06867	0.3
55.01879	2.4
55.05477	0.4
57.03436	2.6
59.04993	0.5
61.02908	0.9
67.05487	0.6
69.03426	14.4
71.01329	0.7
71.04990	4.4
71.08829	0.4
71.09158	0.6
71.40616	0.3
71.88729	0.3
73.02917	0.9
75.04462	0.4
79.05476	0.7
81.03412	16.9
81.07040	0.5
85.02881	1.0
85.06548	0.4
91.05467	2.3
93.07025	0.4
95.04997	0.4
97.02846	0.4
99.03842	0.5
99.04446	6.1
105.07014	0.6
109.02873	0.4
109.06509	0.3
113.06046	0.3
116.04951	0.9
117.05493	1.9
117.07007	0.3
118.06524	5.9
119.08591	0.5
121.06573	0.6
121.10111	0.4
131.08562	0.4
133.10117	0.5
135.08047	0.4
137.06120	0.4
143.25012	0.3
145.06580	0.3
145.07602	8.2
147.05440	0.5
147.08026	0.4
147.09154	9.2
147.11671	0.5
162.07857	1.4
163.03926	0.4
163.08672	1.1
163.11092	0.4
173.07098	12.0
173.13199	0.3
175.07352	0.6
175.08676	6.4
175.11078	0.5
187.08600	0.4
190.07349	0.3
191.08144	100.0
192.08479	1.1
203.08163	0.7
205.09674	0.6
215.11723	0.7
233.09138	1.3
243.11195	0.4
273.25079	0.3
289.11877	1.5
307.12851	25.9
308.13138	0.7
325.13913	15.1
325.21875	0.5
330.16028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01865	2.2
57.03439	3.0
59.05008	0.5
61.02914	0.9
69.03428	15.0
69.85093	2.4
71.01331	1.1
71.04992	4.2
73.02901	0.5
81.03416	17.2
91.05473	0.9
93.13465	0.5
98.21487	0.8
99.04452	6.3
116.04964	0.7
117.05488	2.1
118.06544	7.7
145.06514	0.4
145.07599	8.5
147.09166	10.7
155.55463	0.6
161.07141	0.7
162.07870	1.2
163.08665	1.3
165.94304	0.5
172.06366	0.7
173.07108	14.8
175.08662	7.0
185.07144	0.6
190.07292	0.5
191.08147	100.0
192.08495	1.0
203.08165	0.9
205.09656	0.8
231.11188	0.6
233.09169	1.6
271.10846	0.7
277.40601	0.5
289.11755	2.2
307.12866	26.2
325.13943	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32967	0.8
53.03931	2.4
53.04218	0.7
55.01868	1.8
57.03413	3.4
57.23736	0.9
59.93465	1.0
61.02922	1.3
68.08406	0.8
69.03430	14.4
70.72711	2.8
70.73065	0.8
71.04987	5.3
72.59235	0.9
73.02883	1.0
75.04467	0.9
79.05499	0.9
81.03413	18.6
81.07076	1.3
82.79595	0.9
87.63280	0.9
95.39310	0.9
99.04459	6.6
107.05042	1.0
108.38350	0.9
109.06514	1.1
116.04993	1.2
117.05508	1.1
118.06538	5.9
131.77115	1.0
139.07449	0.9
145.06575	1.4
145.07616	8.4
147.09193	7.7
160.55522	1.0
161.07117	0.9
163.03958	1.1
163.08606	1.0
173.07098	11.0
175.08664	6.8
181.27191	0.8
182.74298	0.9
191.08144	100.0
192.08377	1.1
205.09456	1.0
210.39572	0.9
215.11902	1.1
289.11771	1.5
293.11618	1.0
307.12845	26.1
325.13965	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.7
57.03429	15.6
61.02918	18.8
69.03423	45.5
69.55186	52.4
73.02898	9.9
85.02908	100.0
97.02910	37.6
98.16930	6.2
99.04478	12.2
127.03936	59.2
141.39348	6.3
145.04962	26.2
146.08154	14.6
163.04239	7.5
164.09213	34.4
191.57965	7.0
284.48441	6.0
287.38617	6.6
300.04034	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1279
Annotation	Juglanoside A
Peak:m/z	Relative Intensity
51.02362	0.6
53.03928	1.3
55.01876	2.2
55.05518	3.8
55.31289	0.4
56.96573	0.6
57.03425	2.0
57.07056	0.9
59.04986	1.9
65.03930	1.0
66.68595	0.4
67.05169	0.6
67.05502	6.0
67.10542	0.5
69.03431	2.5
69.07067	5.1
69.88396	2.5
71.04988	1.3
72.84241	0.3
76.23231	0.4
79.05485	8.7
81.03422	2.3
81.07059	7.4
82.06587	0.4
83.04977	1.7
83.08617	2.6
85.02895	1.3
85.06541	2.3
91.05479	5.0
93.07030	4.8
95.04964	5.7
95.08052	0.7
95.08602	9.0
97.02894	1.4
97.06540	2.4
97.10158	1.7
98.20789	0.5
99.04414	0.5
103.05466	7.1
105.04500	0.5
105.07024	17.4
107.04956	4.7
107.08595	3.6
109.06518	2.7
109.10158	3.5
111.08064	1.7
111.11709	0.6
113.05984	2.7
115.05454	1.4
117.07013	1.5
119.04926	0.7
119.08564	2.6
120.05765	1.1
121.02798	0.5
121.06495	1.6
121.10133	2.2
122.06027	0.5
123.04429	1.3
123.08073	5.2
123.11697	1.8
125.05989	1.0
125.09629	1.1
127.03932	0.9
129.07021	1.1
131.04932	3.1
131.08559	1.0
133.02850	0.9
133.06500	2.0
133.10115	1.6
135.04427	1.8
135.08022	2.7
135.11659	1.6
137.02325	0.9
137.05983	1.6
137.09602	0.9
139.11169	0.9
143.08566	1.3
145.06462	1.5
145.10100	1.2
147.04428	3.0
147.08018	1.2
147.11699	1.0
148.05177	0.6
149.02336	1.5
149.05988	1.8
149.09595	1.0
149.13208	1.0
151.07556	1.3
153.06862	0.5
153.09093	0.5
153.27434	0.4
155.08539	0.9
157.10091	1.1
159.11693	1.0
161.06017	0.7
161.09587	0.9
163.07538	100.0
164.07874	1.7
165.06972	1.0
167.03403	4.1
167.08488	0.5
169.10220	0.7
171.07985	0.9
171.11674	0.9
173.06009	1.0
174.06766	0.7
175.07585	1.5
177.09132	0.4
181.06747	0.7
181.08585	2.5
185.05894	0.6
187.07545	0.9
189.09111	3.1
195.10153	0.5
198.06786	0.5
199.07549	0.7
201.05447	0.9
203.07019	0.6
211.07571	0.7
214.06485	0.6
221.05939	0.7
222.06609	0.6
223.13321	1.0
227.07050	2.4
229.12314	0.7
233.06088	0.5
233.15413	0.6
235.13130	0.7
239.07016	2.4
241.08578	0.7
242.05704	4.1
247.07542	0.6
250.06349	1.0
251.10725	0.8
253.04901	3.7
253.08601	0.9
255.06500	7.9
255.10101	1.9
264.07654	0.7
265.08649	0.9
267.06546	1.8
267.09955	0.5
269.08075	3.5
269.11682	0.6
271.16769	0.5
279.10007	0.6
283.09631	7.7
289.17972	1.5
289.25201	0.5
292.07309	0.8
293.07773	0.7
295.09610	1.0
297.11176	2.0
307.09778	1.3
307.13177	0.6
307.19110	1.1
307.26456	0.9
310.07935	0.7
325.10635	8.3
325.14243	4.4
325.21347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1071
Annotation	Moracin L
Peak:m/z	Relative Intensity
51.61781	0.8
55.01869	1.2
55.05504	4.3
57.03432	0.8
59.04993	0.9
65.03925	2.2
67.05177	1.0
67.05505	13.7
68.99809	4.1
69.03432	1.0
69.07052	2.4
70.19685	3.8
79.05490	4.4
81.03410	0.9
81.07063	6.6
83.04960	1.8
83.08615	2.3
91.05482	5.6
93.07032	2.4
95.04945	3.3
95.08619	4.7
97.06525	1.1
97.10150	1.8
105.07037	4.2
107.04969	3.8
107.08586	3.3
109.06497	1.4
109.10110	1.8
111.08083	0.9
115.05427	2.4
117.06992	2.5
118.09430	0.8
119.08548	3.9
121.02838	1.8
121.06512	1.3
121.10110	2.3
123.04450	1.6
123.08103	0.9
123.43233	0.7
125.09612	1.9
127.03860	0.8
128.06201	2.4
129.07025	5.2
131.04898	1.3
131.08531	2.4
131.20099	0.7
133.06508	1.9
133.10094	1.1
134.03661	4.2
135.08067	1.1
137.02341	4.1
139.05412	1.9
141.06972	2.0
143.04860	1.6
143.08540	1.5
145.06496	2.9
145.10109	2.6
147.04405	2.4
147.08069	1.0
149.02338	4.5
149.09633	1.2
157.06499	11.3
157.10092	2.6
159.08018	2.4
159.11694	1.5
161.02354	7.5
161.05963	0.9
163.07556	1.5
167.03395	4.7
167.04810	1.7
169.06474	1.2
169.10051	1.5
171.04416	5.4
171.07957	1.1
171.11746	2.0
172.05212	9.8
173.05978	4.7
184.05125	0.9
185.05983	13.1
185.13173	1.0
187.07594	5.7
188.08308	1.3
189.09079	0.8
189.11201	1.2
194.97501	0.8
195.11740	1.0
197.05954	2.4
197.13240	1.1
198.06728	1.6
199.03922	0.8
199.07605	0.8
201.05510	3.3
207.11642	0.9
209.13211	1.3
213.05473	15.1
213.16281	0.9
215.07080	2.2
216.07790	5.3
231.06560	5.3
241.04965	45.0
242.05725	14.7
243.06107	0.9
253.04848	1.2
253.08644	1.2
255.06480	1.6
257.04471	1.1
258.05209	3.1
259.06052	2.0
269.04712	1.8
269.08118	2.7
270.04837	1.7
289.18030	1.6
293.21146	1.5
297.11185	5.3
325.10712	100.0
325.21503	3.2
326.11066	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.06947	1.0
65.47791	0.8
70.06569	1.5
70.63890	0.8
70.64257	3.4
74.68360	1.0
80.31717	0.8
81.03400	0.9
85.02880	1.9
91.05489	7.0
95.95066	0.9
97.02888	1.4
98.97541	1.1
107.04946	11.9
119.04940	8.8
132.38458	0.9
135.04419	2.2
158.02315	0.9
163.03905	100.0
164.04266	1.4
283.13132	1.3
287.05496	2.8
301.14297	2.0
307.12683	1.0
325.07150	1.0
325.14288	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	0.6
69.92552	2.5
70.06580	0.6
77.03916	0.4
85.02905	1.2
91.05476	7.0
91.35854	0.4
107.04959	12.1
117.05857	0.4
119.04943	8.6
123.04450	1.1
135.04437	1.1
163.03899	100.0
164.04236	2.4
204.80414	0.5
217.73390	0.4
219.70218	0.4
243.67657	0.4
276.10104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01870	0.6
55.05509	1.8
63.29090	0.4
65.03931	2.1
67.05496	1.0
68.99789	0.4
69.07076	0.7
70.13766	0.9
70.14157	0.7
79.05484	1.2
81.03381	0.5
81.07071	2.3
83.04981	8.1
83.08596	0.7
91.05499	0.5
93.07057	1.3
95.04975	0.4
95.08588	1.3
98.20788	0.5
105.07025	1.1
107.04976	3.1
107.08600	0.9
109.06522	1.8
109.10128	0.9
111.04459	0.4
111.08070	0.6
117.07059	0.4
119.04924	0.7
119.08630	0.4
121.02866	18.3
121.06505	0.4
121.10122	0.6
122.03197	0.8
123.04441	2.3
123.08075	0.4
125.09659	0.4
126.49973	0.4
128.06244	0.4
131.04961	0.4
131.08598	1.1
135.04417	3.4
135.08064	0.5
145.06496	0.8
147.04402	0.9
149.02345	100.0
150.01614	0.4
150.02644	2.1
151.72821	0.4
159.08025	1.9
159.68385	0.4
161.05991	10.2
163.03957	0.4
163.07590	0.6
173.05940	0.6
177.09109	28.9
178.09424	0.5
185.06059	0.4
187.07582	0.4
197.06023	0.6
215.06908	0.5
239.07085	0.6
241.04939	0.5
242.05763	0.5
255.06583	0.7
261.09235	0.4
264.07678	0.7
269.04465	1.1
279.10046	0.5
283.09647	0.9
289.18018	0.5
291.13492	0.5
297.11127	1.4
307.09738	0.9
310.07861	0.8
325.07050	0.6
325.10724	10.4
325.14359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64314	0.4
55.01859	0.4
64.13972	0.4
65.03953	0.5
68.99776	0.5
69.03427	0.6
70.71828	1.2
70.84855	0.5
79.05485	0.5
83.31645	0.4
85.02885	1.0
91.05475	6.7
92.27715	0.4
94.36703	0.4
94.84349	0.3
95.04985	0.6
96.48406	0.4
97.02845	0.7
104.93185	0.4
107.04954	12.8
108.05299	0.4
117.92308	0.4
119.04937	8.4
123.04414	0.7
134.99608	0.4
135.04420	0.9
154.05009	0.4
163.03897	100.0
164.04210	2.8
171.12706	0.4
326.44904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05516	10.4
57.03423	1.9
57.07073	2.6
57.93771	1.1
62.06089	100.0
65.03947	1.2
66.82942	1.2
67.05506	19.6
67.15857	1.2
69.07071	9.5
69.15808	1.2
70.71805	4.2
79.05486	4.6
81.07053	20.5
83.08609	4.7
85.06571	1.3
91.05492	3.1
93.07033	5.3
95.08604	12.9
97.06516	2.9
97.10153	3.9
105.07024	2.2
107.08569	3.4
109.10155	7.5
113.95130	1.3
119.08511	1.4
121.10104	3.2
123.11692	3.4
133.10175	1.8
146.48761	1.4
147.11681	1.8
154.49008	1.5
245.22574	2.4
306.27798	3.8
307.26328	2.9
324.28979	9.6
325.27249	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05514	8.2
57.07071	1.7
62.06087	100.0
67.05502	20.8
69.06783	0.7
69.07070	8.6
70.32542	2.5
71.04987	0.8
71.08619	1.1
74.37733	0.8
79.05490	7.9
79.99203	0.8
81.07053	20.9
83.08615	5.2
84.05750	0.9
85.02869	0.8
91.05473	3.7
93.07040	7.0
95.04960	1.4
95.08608	15.9
97.06496	1.1
97.10152	2.4
98.06049	1.0
98.37263	0.7
99.08118	0.9
105.07020	3.3
107.04948	3.6
107.08574	4.3
108.05271	1.3
109.10157	7.6
110.05901	0.8
119.08544	3.1
121.10136	2.8
123.11683	2.4
125.09637	1.5
133.10139	2.1
135.11682	1.6
136.08398	1.5
137.09653	1.1
142.37982	0.9
147.11618	0.9
161.13245	1.7
163.14767	0.8
167.03331	1.0
245.22603	2.1
263.23715	1.9
275.19998	1.4
306.24600	1.1
306.27872	3.4
307.26218	3.6
309.07550	1.1
324.28943	10.7
325.32343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01876	1.2
55.05499	3.4
57.03436	1.9
67.05511	7.1
67.45267	0.7
68.05840	1.0
69.03428	1.1
69.07074	12.7
70.32552	3.5
70.52418	0.9
71.04961	0.8
79.05487	6.6
81.07053	10.8
83.04972	3.7
86.09705	100.0
91.05473	12.8
93.07041	14.1
95.04968	5.1
95.08604	4.0
97.06526	1.1
97.10117	1.1
105.07024	16.8
107.04948	1.4
107.08569	4.5
109.06509	13.2
109.10124	1.8
111.08103	2.4
117.07005	1.3
119.08572	6.1
121.06496	2.0
121.10092	1.4
123.08073	2.0
128.10719	6.1
129.06949	1.2
131.08563	6.6
132.10197	28.9
133.06448	1.8
133.10129	17.9
135.08029	1.4
147.08078	1.6
147.11691	12.0
149.05936	0.9
149.09598	2.7
149.13232	1.6
151.07541	2.1
151.11177	42.2
156.10301	1.1
165.12764	2.4
175.11201	4.4
192.13831	0.9
193.12253	3.4
209.60841	0.7
222.14903	1.3
260.20023	6.4
273.18509	1.9
274.18854	0.9
278.21161	26.8
306.20810	3.5
324.21683	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10135	2.1
53.03945	3.9
55.01869	3.9
55.05504	6.5
56.05023	2.5
56.44629	1.9
56.96562	8.9
57.03442	4.9
57.07081	4.3
57.30894	1.9
58.06583	4.8
60.04523	18.3
61.02922	9.8
67.05503	4.6
69.03426	31.3
70.06588	31.2
70.74186	3.2
70.74538	4.6
71.04990	5.9
72.04535	3.5
72.08154	3.4
73.02913	6.8
79.05461	2.2
79.58106	1.8
81.03398	11.5
82.06586	4.5
83.04971	9.3
84.04499	15.6
84.08142	29.5
85.02903	60.5
85.06548	6.3
87.04466	5.6
88.07631	8.2
91.03985	4.1
91.05453	2.0
96.08119	4.2
97.02883	24.6
97.06543	1.9
98.05995	3.0
98.97587	20.8
99.04464	4.3
100.07629	5.6
101.06016	3.2
102.09174	3.8
107.04959	9.0
109.02890	7.0
112.51614	2.1
114.05524	6.6
114.09190	4.4
116.98589	17.8
118.06557	2.7
118.08643	13.8
123.04429	2.5
123.05572	3.5
124.05870	2.2
126.09138	2.7
127.03960	12.2
128.07095	5.5
128.98590	5.7
130.08594	11.7
131.00206	3.2
131.07141	2.0
134.99675	9.2
135.04439	5.1
136.07616	2.3
137.05939	4.4
143.00169	2.7
144.10219	6.2
145.02808	3.1
145.04939	7.0
145.07599	33.0
145.08618	4.6
146.99631	8.9
147.04358	4.2
158.99707	10.0
160.09598	2.7
161.01248	4.0
161.04556	5.5
161.54930	2.3
162.05550	5.0
162.07661	16.5
162.11255	100.0
163.03940	18.2
163.08688	21.2
164.04236	6.5
170.99658	3.1
177.00687	13.3
189.00766	5.6
193.08319	2.4
195.01825	2.4
217.05553	2.9
219.01776	10.6
233.57095	2.7
237.02814	18.0
242.57709	2.2
244.07774	4.4
255.03833	3.1
261.02731	3.5
309.08484	4.4
321.08536	3.2
324.16394	33.7
325.13986	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68682	12.9
55.05504	50.8
57.07071	38.7
67.05489	57.5
69.07047	47.6
70.12415	74.7
71.08624	25.9
77.99691	15.0
79.05471	17.7
81.07063	100.0
83.08600	35.2
93.07028	31.2
95.08601	72.2
96.50580	15.0
97.06519	22.9
97.10156	44.4
97.74455	15.4
104.02802	14.5
105.07040	34.9
107.08585	41.8
109.10150	80.9
111.11685	14.4
119.08575	25.7
130.97504	16.6
133.10088	22.5
135.11711	15.2
137.09546	17.1
137.13173	17.5
154.68451	16.4
159.11594	14.5
161.09726	16.3
177.16296	20.1
179.10559	17.3
263.27298	42.6
267.06470	74.3
291.19519	21.6
323.12726	49.1
323.27222	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03942	3.7
53.39328	1.1
55.01865	6.0
55.05508	47.5
56.96555	2.6
57.03432	5.8
57.07066	9.0
57.47631	1.1
59.04996	2.7
65.03934	2.4
67.05501	41.6
69.03419	5.7
69.07066	41.0
71.04975	5.4
71.08611	2.0
79.05067	0.9
79.05487	26.4
81.03410	5.3
81.07055	100.0
82.07371	2.9
83.04993	7.1
83.08616	22.5
85.06539	9.0
91.05480	18.7
93.06481	1.8
93.07044	33.7
95.04964	11.8
95.08601	83.1
96.08899	1.9
97.02889	1.9
97.06529	9.1
97.10165	47.9
99.04440	2.2
99.08094	8.6
101.06003	1.9
103.05448	2.1
105.07027	17.0
107.04962	7.9
107.08590	35.5
107.09300	2.4
109.02898	1.9
109.06503	14.9
109.10155	43.4
111.04456	4.2
111.08075	9.0
111.11714	3.5
113.06014	3.9
113.09643	2.9
115.05450	1.8
117.07030	4.2
119.04928	2.9
119.08587	17.7
121.06515	4.6
121.10137	24.9
123.04454	8.7
123.05169	1.3
123.08080	5.7
123.11713	33.0
125.05980	1.6
125.09635	13.8
127.03974	1.4
127.11166	1.5
128.06218	1.4
129.06992	2.8
131.08562	5.6
133.06468	3.2
133.10127	11.6
135.04420	1.5
135.08055	5.5
135.11673	18.1
137.06007	7.8
137.09633	5.8
137.13254	25.2
138.06332	1.8
139.11180	7.1
143.08517	3.6
143.10664	8.1
145.06450	1.5
145.10120	5.2
147.04428	9.3
147.08037	4.9
147.11705	7.3
149.05927	11.5
149.09593	2.7
149.13243	16.7
151.07529	4.1
151.11162	3.1
151.14839	4.7
153.09152	2.9
153.12694	6.3
157.06502	1.9
157.10106	3.4
157.12233	3.7
159.11649	2.5
161.02380	3.4
161.05968	5.5
161.09619	4.3
161.13249	6.5
163.07506	3.0
163.11180	5.2
163.14836	8.8
165.09085	1.5
165.12759	1.4
167.10675	1.4
171.08037	1.6
171.10204	1.5
171.11678	1.4
173.09631	1.6
173.11728	3.3
173.13174	2.6
173.86197	1.4
175.03963	1.3
175.07544	3.9
175.14789	3.9
177.09062	1.8
177.12833	1.4
177.16389	3.8
178.67944	1.4
179.07045	2.2
179.14284	1.6
181.12189	5.5
183.08070	1.2
185.05957	3.4
185.28273	1.3
187.07587	1.9
189.09123	3.5
189.11145	2.3
189.16418	3.5
191.10675	2.7
191.14435	1.6
191.18016	1.7
193.15865	1.5
199.07590	1.8
203.07018	23.9
203.08733	2.3
203.10414	1.1
203.17938	2.3
207.17517	1.9
217.15898	1.2
221.15269	1.6
223.17012	2.6
227.12645	1.5
231.13661	1.2
235.16875	7.0
247.07635	1.6
248.08321	1.9
253.08556	1.4
257.02634	4.0
259.07452	1.7
259.24081	1.7
267.06531	2.1
269.15182	1.7
269.22614	2.2
277.18045	2.1
277.25070	2.2
280.07272	1.6
287.16489	8.2
287.23685	3.7
291.10168	4.0
291.19565	1.8
293.08026	1.9
295.13266	2.2
305.17480	20.6
305.21335	2.1
305.24670	13.6
323.05685	2.0
323.09299	2.4
323.12704	22.2
323.18692	4.9
323.25848	9.4
324.13147	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01857	6.4
55.05259	3.3
55.05503	39.3
56.96548	2.5
57.03421	7.5
57.07071	15.9
65.03931	4.3
67.05498	39.7
69.03426	19.0
69.07063	41.3
71.04979	5.4
71.57615	3.4
79.05488	33.3
81.03404	4.0
81.07052	66.3
83.03117	1.7
83.04954	4.4
83.08614	24.6
85.06533	9.4
86.91909	1.8
88.23709	1.9
91.05475	20.4
92.88415	1.8
93.06482	2.5
93.07037	32.9
95.04967	11.1
95.08600	65.2
97.06511	9.6
97.10168	27.2
98.10459	1.8
98.97615	2.2
99.04482	1.9
99.08078	4.3
103.05457	6.9
103.73154	1.8
105.07025	29.8
107.04937	5.9
107.08588	37.8
109.02890	2.8
109.06493	9.7
109.10147	30.1
111.08078	18.1
111.11711	2.9
113.05989	2.1
115.05424	2.4
117.07012	6.0
119.08580	12.4
121.06492	5.9
121.10132	17.2
123.04413	4.9
123.08067	16.4
123.11696	18.6
125.09644	23.5
129.06987	2.8
131.04965	2.7
131.08548	7.2
133.06482	7.8
133.10114	8.0
135.04405	2.4
135.08095	12.5
135.11707	9.8
137.05966	8.2
137.09605	31.3
137.13234	7.4
139.07552	27.6
139.11165	8.2
141.09134	3.3
143.10675	4.2
145.06418	2.8
145.10075	6.0
147.04425	10.4
147.08028	2.9
147.11668	3.6
149.05971	5.6
149.09601	4.9
149.13237	14.8
151.07512	6.5
151.11142	3.7
153.09076	8.3
155.10637	7.2
157.10150	2.6
159.08012	4.5
161.05995	7.7
161.09616	4.1
161.13243	4.7
163.07527	100.0
163.11145	3.3
163.14813	4.7
164.07878	5.8
165.09106	27.0
165.16364	2.2
167.10648	2.5
167.14267	5.6
171.10081	3.0
175.07607	2.3
175.14792	3.8
177.09047	2.3
177.16327	2.4
179.07028	11.8
181.08638	2.2
183.10147	6.5
185.13232	2.2
187.07547	17.0
187.14755	2.4
189.09192	2.9
189.11200	11.4
189.16451	2.7
199.14754	2.0
201.11159	2.7
203.07014	3.3
208.12384	2.5
209.13405	2.3
227.12737	21.2
231.08067	5.2
248.08240	2.2
259.07465	2.5
259.16940	5.5
260.08328	2.7
263.10599	3.2
269.15326	4.3
277.18015	3.7
287.16327	19.7
287.23822	2.5
291.07175	2.4
291.10199	8.1
305.17511	20.5
305.24667	11.6
308.10449	2.8
323.09134	4.6
323.12772	21.1
323.18530	7.3
323.25754	8.9
324.19089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
50.04623	0.9
53.03927	3.0
55.01858	4.6
55.05508	54.8
57.03418	3.4
57.07072	6.7
65.03956	1.7
67.05503	36.9
68.05825	1.2
69.03429	5.0
69.07066	38.2
69.52426	8.4
71.04971	3.1
71.08640	1.4
79.05491	20.9
81.03396	1.9
81.07052	97.1
82.07381	2.0
83.04974	3.8
83.08609	11.4
85.02895	1.5
85.06539	11.0
91.05476	12.4
93.07038	28.0
95.04967	7.9
95.08602	100.0
96.08921	2.1
97.06541	7.5
97.10165	80.4
98.10487	1.3
99.04444	1.5
99.08080	2.3
101.05997	5.2
105.04623	1.1
105.07034	11.0
107.04954	7.7
107.08592	27.5
109.06505	8.0
109.10152	51.4
110.10464	1.5
111.04402	1.4
111.08064	17.9
111.11725	5.2
113.05994	2.1
113.09611	2.2
115.05427	1.4
115.07568	1.6
117.07053	2.8
119.04922	3.8
119.08573	11.8
121.06488	3.4
121.10148	18.1
123.04420	8.2
123.08051	4.4
123.10821	2.0
123.11703	30.4
125.05991	1.7
125.09626	20.6
127.11163	1.2
128.06197	1.2
129.05444	2.5
129.06985	1.1
131.04921	2.5
131.08528	3.4
133.06490	2.1
133.10112	8.3
135.04416	1.8
135.08044	3.5
135.11688	11.5
137.05954	6.4
137.09583	3.3
137.13232	10.4
139.11198	10.3
143.08488	3.9
143.10670	31.6
143.11807	1.8
145.10095	3.0
147.04407	17.9
147.08028	2.2
147.11678	6.1
148.04785	1.0
149.05966	2.6
149.09599	2.0
149.13252	16.1
151.11142	3.1
151.14799	7.2
153.12711	2.7
155.08519	1.1
157.08740	1.0
157.10126	1.3
157.12234	6.4
159.08018	1.3
159.11696	2.9
161.05968	7.3
161.09628	3.4
161.13231	4.5
163.03918	1.4
163.07498	2.2
163.14801	7.7
165.12787	1.5
167.07062	1.4
167.14282	3.0
171.07957	1.7
171.10172	1.4
173.09599	1.1
174.06715	1.3
175.07492	1.8
175.11264	1.9
175.14856	2.9
177.16402	1.3
179.06970	1.5
179.10660	1.4
179.14294	2.3
185.05991	2.0
187.07562	3.1
189.09027	2.4
189.11316	5.5
189.16364	3.0
191.63568	1.0
198.06786	2.2
198.40405	1.1
199.07526	4.6
199.14958	1.1
202.07738	2.7
203.06979	6.5
203.08611	3.2
203.17868	1.3
207.17445	1.2
213.09096	3.4
219.08095	1.5
220.08630	1.4
231.08009	7.0
235.17038	1.3
248.08383	2.6
249.08769	1.3
249.18518	1.4
253.18338	1.2
259.07507	3.2
260.08264	1.6
263.07080	1.2
263.10608	3.0
265.08459	1.8
276.07822	3.2
277.25287	4.1
280.07285	1.5
281.07819	2.2
287.16370	2.1
287.23584	1.7
291.10114	9.4
293.07956	1.9
295.09644	1.7
295.13092	2.9
305.11746	1.5
305.17355	3.2
305.24747	13.7
307.09521	1.4
308.10361	2.6
323.09314	1.5
323.12750	36.6
323.18411	1.8
323.25790	23.0
324.13153	4.0
324.26013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
53.09257	0.7
55.01863	2.6
55.05510	8.9
57.03433	2.2
65.03920	1.0
67.05500	13.8
69.07062	4.5
69.87267	0.7
70.00453	4.0
79.05495	15.1
81.07053	12.0
83.04988	1.2
83.08611	4.0
91.05479	10.4
93.07050	8.5
95.04954	3.4
95.08594	6.6
97.06499	1.3
97.10170	4.2
105.07025	5.2
107.04952	24.6
107.08592	5.7
109.06512	2.2
109.10154	8.2
111.08104	0.8
115.05440	1.1
117.07008	3.1
119.04925	2.7
119.08569	8.5
121.06556	1.4
121.10153	2.2
123.08100	1.1
125.09649	4.4
129.06990	3.6
131.08551	2.9
133.10112	1.3
135.08046	10.2
135.11685	1.1
137.09621	2.6
141.07014	1.2
143.08511	1.4
145.10127	3.7
147.04387	6.6
147.08046	7.2
147.11571	1.6
149.02361	2.7
149.09517	0.9
151.03908	2.3
157.06430	1.6
157.10139	1.3
159.11752	0.8
160.05151	1.2
161.02335	12.7
161.05960	4.4
161.09660	1.7
163.03893	2.4
163.11226	0.8
167.03386	5.1
171.11743	1.2
173.11761	3.6
174.37503	0.8
175.03885	2.3
175.07535	3.1
175.11273	0.8
185.05930	5.1
203.07022	100.0
204.07359	4.1
237.16263	0.7
245.18816	0.8
255.17412	1.3
273.18488	7.0
286.66776	0.9
291.19543	4.8
305.21021	2.3
323.12750	24.4
323.22394	1.1
323.25739	4.3
324.12936	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	4alpha-Hydroxy-18-norgrindelic acid
Peak:m/z	Relative Intensity
55.01876	22.4
55.05512	65.3
57.03421	24.7
58.14822	8.9
62.01008	8.9
67.05499	96.2
69.07069	57.0
70.71475	33.0
71.04980	22.6
76.03705	8.0
79.05487	68.5
81.03403	12.8
81.07050	100.0
83.04974	26.5
83.08601	26.2
85.06532	12.8
91.05487	77.9
93.07043	92.9
95.04961	25.6
95.08595	90.6
97.06524	19.8
97.10188	13.2
99.04453	17.7
99.08112	13.0
105.07022	57.5
107.04934	19.0
107.08594	44.9
109.06517	33.3
109.10132	32.9
109.46829	9.4
111.04444	51.1
111.08070	19.5
111.49463	9.2
117.06998	21.2
119.08563	49.5
121.06532	18.0
121.10081	21.1
123.08047	15.0
123.11647	14.9
125.09621	15.0
131.08566	38.3
133.10124	32.4
135.08092	28.4
135.11664	15.7
137.09587	11.0
143.08549	13.5
145.10123	29.6
147.08002	14.4
149.09630	38.6
151.11142	14.5
153.09135	12.4
157.10104	13.8
159.11726	12.4
159.49382	10.8
161.09599	34.9
163.11169	20.2
169.10129	9.9
175.11220	37.5
189.12788	12.0
193.12218	15.3
203.07150	8.5
235.13234	9.4
245.19154	15.2
273.18530	41.0
287.20065	38.4
291.19543	44.8
292.23346	10.1
305.21039	93.8
323.22073	48.1
323.25659	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38897	7.7
55.01848	17.8
55.05513	48.1
56.51696	7.9
57.03419	22.9
57.07085	8.3
62.06065	8.5
67.05505	100.0
69.07061	44.3
69.94324	37.7
71.04974	11.8
79.05492	36.8
81.07053	93.4
83.04964	15.2
83.08603	14.7
91.05506	41.1
93.07038	46.8
95.04934	20.2
95.08614	62.0
97.06493	13.1
97.10142	20.0
105.07021	41.5
107.04906	9.6
107.08566	33.6
109.06496	13.5
109.10165	76.5
119.08557	26.1
121.06503	28.2
121.10158	8.3
123.04440	7.5
123.08069	12.0
123.11701	17.0
125.09708	7.9
129.07010	12.0
131.08586	9.7
133.10126	58.5
135.08012	17.3
137.09587	14.3
147.07945	7.4
147.11696	10.9
149.09575	7.1
151.11139	25.6
157.75578	7.2
171.11768	7.1
178.75705	7.0
260.35947	8.0
267.06418	12.5
273.18579	14.7
287.16443	13.4
291.19366	9.7
305.17642	15.9
323.12695	38.1
323.22217	11.0
323.25693	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.3
53.03947	19.5
55.01867	13.6
55.05505	36.0
56.96560	4.9
57.03436	11.5
57.07069	6.8
59.04972	3.8
65.03928	5.8
67.05502	76.6
69.03425	9.4
69.07063	46.4
69.85308	12.1
71.05001	11.4
73.06565	5.0
79.05065	4.1
79.05492	59.7
81.03412	34.8
81.07053	84.4
83.01305	1.8
83.04974	12.0
83.08616	20.0
85.02876	3.6
85.06068	2.3
85.06537	23.2
91.05481	41.7
93.07040	63.2
95.04958	33.2
95.08598	57.1
97.02879	4.3
97.06536	10.3
97.10168	22.4
98.21475	2.8
98.97580	2.8
99.08088	100.0
101.05990	2.4
103.05466	7.3
105.04492	2.2
105.07034	33.8
107.04952	40.3
107.08589	37.4
109.02874	3.7
109.06512	31.8
109.10141	28.5
111.04409	2.9
111.08037	12.3
111.11703	2.6
113.06005	8.4
113.09632	4.4
114.07606	2.1
115.05434	4.3
116.06213	2.5
116.98565	2.4
117.07011	15.8
117.11874	2.1
119.04926	7.1
119.07784	3.3
119.08559	25.1
121.06511	19.6
121.10136	18.0
123.04400	10.6
123.08054	37.2
123.11710	10.2
125.05963	2.9
125.09609	15.9
127.07536	3.6
128.06204	2.2
129.07008	6.7
131.04926	4.9
131.08560	24.9
133.06467	9.3
133.10103	18.3
135.04434	2.2
135.07117	2.7
135.08061	31.6
135.11662	17.4
137.05984	9.8
137.09631	15.6
137.13243	4.5
139.07590	4.7
139.11180	3.7
141.06993	6.6
143.08591	10.0
144.05800	2.8
145.06496	9.9
145.10107	16.8
147.04410	5.4
147.08064	11.6
147.11676	8.5
149.05975	89.3
149.09595	11.9
149.13191	9.7
151.07556	4.5
151.11163	3.6
153.09087	3.3
155.08537	4.4
155.10629	3.5
157.10100	7.7
159.08035	5.6
159.11700	16.3
161.02261	2.2
161.05959	9.8
161.09605	9.7
163.07539	8.6
163.11180	7.2
165.09100	5.0
167.03381	2.2
167.07021	2.0
169.10104	6.4
171.11685	5.8
173.09627	4.9
173.11760	23.8
173.13187	3.2
175.07565	6.4
175.11232	5.6
175.14771	2.3
177.09177	2.5
177.12752	8.2
181.08617	2.2
183.11737	2.7
185.06007	4.3
185.13242	4.2
187.07527	2.9
187.11201	10.2
189.09128	5.1
189.11163	7.5
189.12740	4.0
189.50746	2.0
193.12175	2.3
195.13763	5.3
199.07608	3.1
201.12668	3.4
202.07805	4.6
203.06967	19.4
203.08574	3.1
203.14302	4.3
205.12144	3.9
213.16476	2.8
217.15837	5.6
219.08003	2.4
221.15367	5.5
223.13286	2.3
227.17867	3.2
229.12427	2.1
231.08040	4.0
231.13818	4.8
235.07561	4.4
237.05293	2.3
241.14146	3.5
245.18936	2.4
248.08311	2.8
259.07626	2.2
259.17020	3.1
263.06976	3.2
263.10620	3.7
263.20020	4.8
267.06763	2.6
269.15302	2.6
273.18481	18.2
277.17944	5.6
287.16455	18.6
291.10175	7.4
291.19522	39.1
293.08118	2.5
295.09729	2.8
295.13251	2.4
305.17447	25.7
305.21002	4.5
305.24625	4.9
323.05524	3.6
323.09058	9.0
323.12750	22.0
323.18542	10.1
323.22171	16.8
323.25690	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	21.2
55.05502	50.6
57.03425	9.2
62.06094	9.6
67.05502	100.0
69.07065	47.9
70.04117	54.8
70.58183	10.9
71.08634	11.9
79.05496	66.2
80.02588	8.6
81.07065	81.0
83.04990	19.2
83.08627	17.1
91.05472	72.3
93.07045	49.5
95.04979	25.2
95.08602	62.8
97.06534	13.3
97.10174	17.1
105.07018	55.2
107.04954	15.4
107.08575	42.8
109.10164	54.0
111.08068	12.3
117.07004	18.4
119.08575	35.8
119.27367	9.9
121.06503	30.7
121.10158	19.7
123.04412	10.9
123.08052	15.6
127.75463	9.9
131.08577	25.3
133.06505	10.6
133.10114	64.2
133.30331	10.4
135.08057	14.1
135.11690	18.9
137.05923	13.3
142.94673	9.6
145.10130	10.7
147.11641	11.0
149.09619	21.9
151.11172	50.4
159.11632	11.1
161.09666	11.8
163.11150	15.3
171.11743	10.9
177.09076	12.8
179.10626	12.8
183.13895	13.4
200.12085	10.8
234.00218	9.3
245.19046	22.3
267.06461	15.3
273.18408	28.5
275.20105	17.5
291.19540	67.0
323.12653	10.5
323.22281	11.8
347.40970	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01861	11.5
55.05507	56.7
57.03431	8.0
67.05507	71.0
67.57951	7.1
69.07052	27.4
70.04535	13.2
70.04948	34.7
79.05492	56.7
81.07056	71.9
83.04964	25.4
83.08601	16.5
91.05474	59.5
93.07047	64.7
95.04960	24.2
95.08598	32.5
97.06563	13.0
97.10157	10.5
100.17305	7.3
105.07027	39.8
107.08614	46.3
109.06496	17.9
109.10131	35.5
111.04391	9.3
117.07000	10.6
119.08555	26.7
121.06532	19.8
121.10118	11.8
123.08041	10.8
129.06941	7.8
131.08566	19.3
133.06506	15.8
133.10126	61.0
135.08070	18.6
135.11708	13.6
139.07515	19.5
143.08507	12.5
145.10117	17.2
147.08066	14.1
147.11659	11.1
149.09644	11.1
151.11151	38.2
157.10109	14.4
159.29385	8.4
161.09586	14.8
161.13348	9.5
181.12091	9.1
183.13841	10.9
189.12808	7.8
199.68967	7.0
207.27635	7.9
245.18964	18.4
255.17543	10.8
263.20020	19.0
267.06537	10.4
273.18414	44.7
291.19492	100.0
323.22238	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.4
53.73712	4.1
55.01861	5.2
55.05509	34.1
62.05793	5.2
62.06089	80.1
63.06409	7.2
67.05504	26.8
69.03437	4.9
69.07063	20.5
70.67732	11.4
79.05499	30.9
81.07062	33.5
82.07355	7.9
83.04983	4.9
83.08604	15.2
91.05474	17.2
93.07041	29.9
93.07534	4.3
95.08605	11.8
96.08986	4.3
97.10165	29.5
105.06995	10.2
107.04950	5.8
107.08618	20.7
109.10154	8.7
111.08025	3.8
117.06999	8.5
119.08573	6.8
121.10143	4.3
122.10481	4.3
125.09626	29.7
135.08026	7.1
143.08519	6.2
145.10091	5.0
147.07967	7.9
153.09064	4.8
175.11130	4.9
203.12845	8.2
218.66275	3.9
223.13333	10.0
257.37015	3.9
273.18475	13.9
291.19507	100.0
305.21112	33.1
323.22260	8.1
323.27783	10.2
347.87259	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92091	2.5
53.03951	3.5
55.01625	3.8
55.01871	44.8
55.05513	22.5
67.05505	39.7
69.03414	2.5
69.07067	17.8
70.82848	7.5
70.83220	3.5
71.04990	3.6
79.05489	19.8
81.03403	13.4
81.07062	21.5
83.04979	36.5
83.08626	6.1
91.05486	20.8
93.07048	20.6
95.04952	19.1
95.08611	17.7
97.06522	25.2
97.10165	7.9
99.04449	26.2
105.07021	11.1
107.04964	18.5
107.08617	16.8
109.06496	7.0
109.10136	17.5
111.04442	100.0
111.05216	4.8
117.07034	5.4
119.08563	12.2
121.06494	6.0
121.10135	4.8
123.08057	6.7
125.09624	11.8
129.06981	5.1
131.08542	5.9
133.06477	3.9
133.10123	10.6
135.08038	8.9
135.11746	3.4
136.12196	2.5
137.05971	3.5
137.09569	12.9
139.11183	3.0
143.08504	3.2
145.09990	2.8
147.08125	4.1
149.09612	8.5
149.48022	3.1
151.11171	2.7
153.09091	20.7
157.10094	6.2
159.11674	2.9
161.02423	2.8
161.09648	12.0
163.11267	5.5
169.10162	2.6
173.11716	5.4
175.11171	7.5
193.12265	4.4
203.07082	10.2
235.44537	3.4
245.18979	4.1
245.39027	3.1
249.14757	4.4
263.20142	7.2
273.18347	15.2
291.19583	29.9
291.28845	3.4
305.20865	4.1
323.12723	4.6
323.22220	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
51.86284	3.7
53.03934	8.0
55.01859	12.2
55.05516	27.3
57.03439	6.0
59.04960	4.4
65.03934	4.2
67.05503	66.6
69.03413	5.9
69.07069	34.9
70.00118	6.2
70.00531	16.0
71.04990	7.6
79.05489	46.4
81.03401	9.5
81.07055	67.2
83.04974	14.3
83.08607	12.1
85.06506	5.2
91.05482	27.9
93.07041	42.5
95.04964	11.9
95.08608	54.1
97.06523	16.9
97.10183	20.2
105.05892	4.3
105.07034	27.2
105.79763	3.7
107.04951	18.7
107.08584	24.2
109.06518	8.8
109.10139	21.2
111.04430	11.1
111.08091	6.2
115.05494	4.9
116.45863	5.3
117.07044	6.8
119.08582	20.8
121.06516	10.0
121.10133	17.5
123.04487	6.3
123.08080	20.9
123.11713	9.8
125.05963	6.6
125.09612	16.3
129.06984	8.9
131.08557	17.9
133.06476	6.7
133.10129	12.7
135.08061	9.6
135.11700	10.3
137.09630	10.2
139.11131	10.0
143.08560	6.9
145.10136	13.2
147.08040	9.3
147.11682	7.7
147.71077	3.7
149.09601	10.1
149.13275	9.0
153.12726	4.2
157.10143	5.8
161.09564	7.0
163.11220	7.5
163.14885	4.6
165.09036	6.3
165.12732	4.2
171.11719	5.5
173.05986	25.7
173.13362	4.7
175.11166	6.7
187.07448	4.8
193.12250	7.9
203.12814	14.5
233.06187	4.7
255.17409	4.8
255.65086	4.1
261.22220	9.0
267.06424	12.4
273.18506	15.5
291.19568	41.6
295.22983	4.8
305.21021	24.9
323.12756	8.1
323.22144	100.0
323.25467	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43527	8.9
55.01867	20.4
55.05513	28.6
57.03434	25.2
67.05499	45.2
69.07052	24.2
69.60905	69.7
79.05497	49.8
81.07066	48.2
83.04989	12.9
83.66459	8.2
85.06532	22.5
91.05463	33.7
93.07050	28.4
94.95135	8.8
95.04987	25.4
95.08598	29.7
96.31592	8.9
97.06525	20.0
97.10173	11.3
105.07012	30.4
107.08575	16.1
109.06530	28.7
111.04459	15.4
113.06001	58.3
119.08582	18.9
121.06502	26.8
121.10166	18.0
123.08070	17.5
129.07019	13.0
131.08585	12.9
133.10147	14.2
135.08093	20.2
135.11668	11.3
137.06027	9.0
139.11174	9.9
142.50360	9.1
145.10086	16.7
147.07965	9.3
149.09624	11.7
161.09610	10.0
179.10637	11.5
201.12582	9.6
206.79768	9.6
217.15974	11.6
235.16910	12.3
269.41232	9.0
271.51346	10.1
273.18457	16.8
277.21790	11.9
291.19537	37.7
305.21060	100.0
323.12778	16.0
323.22287	15.7
347.13177	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01865	4.8
55.05508	5.1
56.66593	2.0
57.03427	29.5
67.05503	18.3
69.07080	2.4
70.14470	8.9
70.33858	1.9
75.18092	2.0
79.05480	7.2
81.07039	14.5
83.04957	3.7
83.08622	2.1
85.06547	28.5
89.80930	1.9
91.05473	10.6
93.07029	10.2
95.04968	29.1
95.08575	3.1
105.07009	5.7
106.99007	2.1
107.04960	3.7
107.08602	9.3
109.06499	26.1
111.04452	4.5
113.06000	100.0
117.07011	6.9
119.08549	4.5
121.06546	2.5
121.10220	3.1
123.08070	3.2
131.08563	5.7
133.10126	3.6
135.08047	18.9
135.11630	2.3
145.10117	5.9
157.10110	3.1
159.11711	3.8
159.88704	2.4
161.09587	4.0
163.11162	3.2
171.11719	3.0
177.12790	2.9
181.12178	3.4
191.10892	1.9
217.15840	8.5
227.12686	2.1
229.13010	1.9
273.18509	18.5
282.73627	2.0
291.19562	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1852
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03949	9.0
55.01871	14.0
55.05511	36.5
56.35184	2.7
56.96571	15.7
57.03434	31.3
57.07055	4.0
59.04995	2.8
60.12022	2.9
65.03927	8.0
67.05505	52.7
69.03426	8.9
69.07066	23.5
70.54212	9.9
70.54575	4.1
71.05013	5.9
79.05483	36.3
81.03424	7.0
81.07054	52.7
83.04962	11.1
83.08614	16.4
85.02894	3.9
85.06529	7.6
86.09695	7.6
90.20224	3.3
91.05476	50.7
93.07052	48.3
95.04972	31.1
95.08607	27.7
97.06525	5.4
97.10176	26.4
99.08097	26.7
103.05453	8.7
105.07011	25.4
107.04946	21.1
107.08584	30.1
109.02884	5.2
109.06514	34.0
109.10176	21.6
111.04366	4.9
111.08112	7.7
113.05979	6.9
117.07017	12.0
119.04972	5.2
119.08560	28.2
121.06459	15.9
121.10146	14.9
121.71461	3.4
123.04430	12.6
123.08064	22.8
123.11722	4.6
125.09631	18.1
127.07543	4.7
128.06241	4.9
129.06969	8.1
131.04904	4.4
131.08594	17.4
133.06482	8.6
133.10153	13.5
135.08061	31.3
135.11653	7.7
137.05965	28.5
137.09590	19.1
137.13283	3.9
141.07071	3.1
143.08566	6.7
145.10107	9.5
147.04417	9.6
147.08075	12.6
147.11713	4.4
149.05966	100.0
149.09637	11.4
151.07561	6.9
151.11226	8.1
151.99950	3.3
157.10107	5.5
157.57979	3.5
159.08087	5.4
161.02373	10.5
161.05995	9.0
161.09628	10.2
163.03874	3.6
163.07553	9.3
163.11143	4.2
165.09103	9.9
167.06999	4.2
169.10167	3.6
173.09613	5.3
173.11740	24.7
173.13208	6.7
175.07570	12.7
175.11253	5.7
179.07011	3.0
181.10110	3.2
185.06047	5.4
185.09569	5.5
185.13301	3.2
187.07477	5.8
189.09261	5.0
189.11247	9.2
197.13268	3.7
203.07014	66.1
203.08739	5.7
203.10838	4.0
203.14374	5.3
210.98271	3.3
213.14697	3.7
231.13786	8.8
241.15924	4.3
249.14851	14.7
253.11447	4.0
255.17633	4.1
259.16931	4.5
269.15402	4.3
271.12283	3.4
273.18430	10.7
277.14423	5.0
277.18066	4.7
287.16422	25.8
293.08231	4.6
297.10141	9.3
305.17496	41.5
305.20813	5.2
323.09045	9.0
323.12732	33.5
323.18689	10.4
323.22610	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	22.7
55.01861	13.9
55.05505	28.6
55.22927	5.7
56.96566	35.2
57.03438	15.8
58.44041	5.3
65.03928	7.9
67.05502	64.9
69.03428	9.7
69.07063	22.9
69.84555	21.0
69.84984	14.8
71.04989	8.5
78.44347	5.7
79.05488	59.9
81.03414	100.0
81.07062	53.1
83.04986	11.1
83.08626	17.2
85.06554	10.0
91.05482	61.7
93.07036	67.3
95.04966	41.1
95.08595	35.8
97.02905	5.6
97.06551	12.3
97.10171	11.8
99.08080	8.0
103.05564	5.2
105.07046	41.9
107.04964	32.7
107.08581	26.7
109.06519	34.9
109.10146	14.9
110.07316	7.0
111.04421	6.6
111.08033	12.8
113.05975	10.6
117.07035	20.0
117.25833	6.1
119.04974	9.5
119.08594	29.4
121.06493	18.0
121.10129	19.4
121.69196	6.3
123.04420	12.1
123.08081	22.8
125.09654	13.8
127.07670	5.1
129.07039	11.5
131.08594	30.0
133.06511	18.6
133.10161	14.7
135.08008	27.6
137.05997	17.9
137.09619	15.5
138.06734	6.3
143.08563	6.6
143.10547	5.4
145.06534	13.9
145.10114	10.2
147.04414	8.0
147.08054	7.0
149.05981	16.1
149.09621	19.9
151.07578	9.5
159.08086	8.4
161.05989	9.4
163.07632	14.2
165.09158	6.9
167.10736	5.4
171.03290	8.1
171.07988	7.7
171.11609	7.2
173.09584	11.4
174.98958	6.1
175.07567	9.1
175.11206	6.5
177.09126	17.9
179.08598	6.4
181.08615	16.5
189.04390	8.0
203.07066	7.7
207.05330	7.2
239.07039	7.5
239.88474	6.3
245.07037	11.4
249.14926	24.2
259.17084	7.9
277.17978	10.1
287.16513	31.9
289.17828	6.7
291.10297	10.8
291.19504	12.8
305.17511	36.2
305.20670	6.9
323.05377	15.4
323.08969	11.9
323.12552	13.4
323.18781	9.4
323.22198	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1849
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03934	14.8
55.01859	12.7
55.05502	47.4
56.96543	18.1
57.03422	17.6
57.07072	7.6
60.95594	4.4
67.05499	60.0
69.03407	20.4
69.07060	30.9
71.04994	11.4
71.35023	8.4
72.51161	4.2
79.05485	50.3
81.03403	12.6
81.07048	83.6
83.04968	15.5
83.08609	24.5
84.96024	4.6
85.06532	10.9
88.38658	4.2
91.05469	47.4
93.07032	54.4
95.04957	39.0
95.08603	49.9
97.06519	18.9
97.10160	25.3
98.97577	26.2
99.08113	5.9
103.05411	6.7
105.07018	38.5
107.04960	27.7
107.08562	39.6
109.02848	5.0
109.06517	32.8
109.10162	28.2
111.04428	14.4
111.08077	10.9
113.06035	7.4
115.05445	8.4
116.98611	20.5
117.06979	13.0
119.04900	10.6
119.08569	25.1
119.56155	5.3
120.57806	5.1
121.06481	23.3
121.10133	21.6
123.04408	31.0
123.08066	18.4
123.11701	7.7
125.05980	6.2
125.09620	19.3
128.06232	14.7
129.06943	15.3
131.08560	17.3
133.06464	10.8
133.10117	14.7
134.99632	20.3
135.04442	7.3
135.08014	32.1
135.11652	11.0
137.05974	23.4
137.09576	14.2
139.07535	5.5
143.08572	18.1
145.06454	8.2
145.10104	13.8
145.95901	4.9
147.04395	29.8
147.05405	4.8
147.08026	18.3
147.11687	9.8
149.01205	6.4
149.05984	42.7
149.09604	9.9
151.07518	10.2
151.11224	5.2
153.09039	8.5
157.10139	7.9
158.99553	4.8
159.08086	7.1
159.11707	4.9
161.05968	15.6
161.09537	8.3
163.07538	10.7
163.11136	7.8
167.07066	6.0
169.10081	5.0
171.08031	26.9
171.11661	6.7
172.08412	14.1
173.01180	5.3
173.09578	8.4
173.11736	6.5
175.07584	20.2
175.14795	7.1
177.00684	11.0
177.09123	5.7
177.12750	4.8
179.07014	5.2
179.08528	5.2
185.09590	9.6
185.13077	5.9
187.07538	13.6
189.09097	15.1
189.11206	9.5
191.02257	10.5
195.08105	7.4
203.06970	11.1
203.10646	48.9
204.11037	23.4
205.12361	4.6
219.08110	4.8
223.87079	4.3
231.13869	8.3
231.17386	6.7
248.08472	6.6
249.14835	11.5
255.06473	13.5
259.16904	9.1
267.06595	4.7
267.10086	7.3
277.17938	14.3
283.06564	6.1
287.16287	40.7
295.09552	7.6
305.17441	100.0
305.20663	9.3
323.05630	8.0
323.09061	14.2
323.12729	70.9
323.18481	40.4
324.09634	5.6
324.13095	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1854
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03943	2.2
55.01875	6.3
55.02100	1.0
55.05267	1.2
55.05513	15.0
57.03448	6.1
67.05508	16.7
69.03430	2.8
69.07078	3.3
69.70304	4.0
69.70718	1.7
71.04990	1.2
79.05499	11.3
81.03416	1.5
81.07053	9.7
83.01375	0.8
83.04990	1.9
83.08623	7.8
85.06564	1.3
91.05489	14.9
93.07050	17.3
95.04993	7.2
95.08595	4.5
96.05230	0.8
97.06554	0.8
97.09611	1.5
97.10178	12.0
98.21095	2.4
99.08043	0.9
101.09662	1.0
103.05457	2.9
105.07016	4.7
107.04965	11.4
107.08595	8.3
109.06519	9.1
109.10153	12.6
111.04470	0.9
115.05431	1.3
117.07011	2.3
119.04981	1.6
119.08581	6.6
121.06512	8.3
121.10174	1.4
123.04476	4.3
123.08076	13.0
125.09650	11.6
129.07037	1.5
131.08582	2.3
133.06485	1.5
133.10091	0.9
135.08070	16.7
137.06007	1.0
137.09636	4.9
143.08633	1.2
145.10117	1.5
147.08041	3.0
149.05992	100.0
150.06316	1.6
155.10675	2.4
157.10181	0.9
159.53749	0.8
161.05992	2.1
161.09650	1.8
163.07524	2.1
165.09100	0.9
173.11761	21.2
175.07582	3.1
177.09082	1.0
183.10225	0.9
185.09711	0.9
185.13208	1.0
189.09453	1.2
189.11259	6.6
203.07071	2.7
203.14343	1.2
209.05774	0.9
219.08363	0.8
231.13857	2.7
259.17020	2.5
275.10745	0.8
277.17981	6.2
287.16476	8.9
305.17480	16.8
323.09348	1.8
323.12949	2.5
323.18542	2.1
325.69046	0.8
341.77954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.185
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
55.01867	21.4
55.05510	43.1
55.91068	8.7
57.03440	53.8
62.46677	7.0
66.22509	7.3
66.22956	8.2
67.05504	71.6
69.03426	21.5
69.07059	29.1
70.11679	36.8
70.50887	6.7
71.04990	14.6
71.51165	7.1
73.57431	8.2
79.05502	85.0
81.03399	7.9
81.07059	100.0
83.04964	17.1
83.08624	21.5
85.06512	6.8
91.05475	78.4
93.07047	65.8
95.04997	46.9
95.08604	40.3
97.06557	15.4
97.10159	25.7
105.07024	69.7
107.04948	33.8
107.08575	36.3
108.95955	7.9
109.06516	82.7
109.10145	18.3
111.04430	46.4
111.08102	19.3
115.05571	9.4
117.07037	15.3
119.04980	8.7
119.08576	54.0
121.06536	13.9
121.10133	31.2
123.04437	13.2
123.08063	20.3
125.09610	13.6
128.06195	11.9
129.06979	15.8
131.08607	20.2
133.06474	20.3
133.10135	22.2
135.08075	35.9
137.05971	35.3
137.09586	48.8
143.08537	16.7
145.10147	10.1
147.08083	19.4
147.11673	11.3
149.05994	23.5
149.09634	23.1
151.07568	15.6
151.11168	10.9
157.10094	10.4
159.11763	12.8
161.09642	22.5
161.13318	11.5
163.07529	16.5
163.11299	9.5
165.08986	10.3
169.10170	8.0
171.08124	9.6
175.11264	8.3
177.09102	12.1
179.07092	9.8
189.09102	16.0
189.12790	10.7
250.06175	8.4
259.17004	18.0
269.15347	17.0
273.18723	20.1
281.08087	12.8
287.16348	49.6
291.19690	15.9
305.17422	43.2
305.20868	15.1
323.12613	17.9
323.18829	10.9
323.22339	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01865	0.8
55.05505	0.5
56.08708	0.4
62.46085	0.5
67.05493	1.5
67.10855	0.4
69.03425	0.8
69.07061	0.6
69.88638	2.0
70.06583	0.9
71.04993	0.8
73.65581	0.5
79.05489	1.7
81.03396	0.7
81.07047	1.6
82.06512	0.4
86.09712	0.6
91.05474	4.4
93.05752	0.5
93.07036	2.9
94.06568	0.7
95.04967	1.7
95.06078	0.8
95.08586	0.7
96.08127	1.3
98.20833	0.8
101.07906	0.6
105.07035	1.0
107.04935	0.9
107.08618	0.5
108.04437	0.7
108.08112	2.0
110.06028	1.7
121.10161	1.0
122.06051	2.0
123.92702	0.4
124.07592	9.7
126.05521	1.6
130.87675	0.4
133.10121	0.4
135.08121	0.6
136.07576	100.0
137.07901	1.2
138.09142	1.0
140.07039	1.3
142.08635	7.8
147.04510	0.5
149.05959	0.5
150.05502	0.8
151.03917	0.5
152.07111	3.4
154.08626	47.6
156.10265	0.5
157.06424	0.5
161.05974	1.6
163.03960	0.6
164.07066	56.9
165.07257	0.7
170.08163	2.8
177.05490	0.7
179.03362	0.5
182.08128	15.6
193.06468	0.5
195.11333	0.9
198.57632	0.4
203.08549	0.4
221.05983	1.2
231.08092	0.6
249.05429	0.9
263.06860	0.5
263.10297	0.6
287.10187	0.5
293.55579	0.5
295.05972	1.0
305.11597	0.6
305.14920	2.0
323.05444	1.4
323.09000	0.8
323.12427	1.9
323.16064	1.8
323.19446	0.8
324.10529	3.6
324.15576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1854
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03926	10.6
54.94804	8.3
55.01866	23.8
55.05520	48.7
57.03421	38.8
60.95946	10.8
62.06078	27.8
65.03922	12.0
67.05508	60.8
69.03420	11.1
69.07060	51.4
71.57514	8.8
75.71120	8.2
79.05501	63.7
81.03439	9.7
81.07047	79.2
81.52455	10.0
83.04959	21.7
83.08627	10.6
85.73637	7.9
91.05473	40.1
93.07028	67.7
95.04964	32.2
95.08612	63.3
97.06514	11.1
97.10182	14.0
98.56984	10.3
105.07041	35.3
107.04951	17.4
107.08633	15.4
109.06498	54.8
109.10143	22.9
113.05981	17.0
119.08562	16.1
121.06501	10.2
121.10165	26.8
123.08045	12.0
128.06203	26.6
131.08606	15.8
133.10149	15.5
135.08060	13.2
135.11647	10.8
137.06020	22.8
137.09505	10.8
139.07530	20.8
143.08536	35.1
145.10117	18.0
147.08057	9.8
149.05972	14.2
151.07550	20.1
159.11691	17.6
163.07652	13.9
163.11168	10.9
171.08125	49.1
203.06992	37.2
203.10664	100.0
208.42322	11.0
209.09683	9.1
249.14752	65.0
259.16782	16.9
267.06586	30.4
268.19229	9.4
277.17941	12.6
287.16370	17.3
305.17429	42.5
308.06833	66.0
309.07291	14.0
323.09116	35.9
323.12799	33.9
324.13080	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05512	6.7
57.03416	2.6
67.05489	9.7
69.03418	11.3
69.07047	6.8
70.06585	5.8
71.57510	3.5
72.27443	2.7
74.77894	2.5
79.05485	15.5
81.03394	5.3
81.05813	4.7
81.07062	15.6
83.04951	5.3
84.08132	2.7
85.06493	3.6
91.05475	11.6
93.07024	8.0
95.04957	7.0
95.08602	10.6
96.08134	14.5
97.06526	3.4
103.05453	3.4
105.07040	13.7
107.04940	4.3
107.08600	9.0
109.06538	6.0
109.10123	11.9
115.05453	6.3
117.07002	4.0
119.08569	8.0
121.10157	8.1
123.04472	3.8
123.08085	4.4
123.11720	2.9
124.07594	49.1
125.06010	3.3
125.09608	6.3
133.06496	11.6
133.10120	7.9
135.11688	4.0
136.07570	71.3
137.05988	38.6
138.09142	4.7
145.10147	3.1
146.03659	6.8
146.57668	2.9
147.04436	6.4
147.08035	4.1
147.11699	3.7
149.09630	3.9
151.07462	2.6
151.33174	2.8
161.05984	66.8
164.05692	5.2
164.07071	100.0
165.07233	2.8
165.12767	2.8
182.08128	68.2
199.07536	11.8
202.07780	17.5
203.08575	31.0
219.08086	8.6
220.08836	8.6
230.07184	3.5
231.08043	38.4
232.08813	8.4
237.08978	3.8
247.07487	6.7
248.08298	22.4
249.09233	3.5
258.06656	4.1
259.07562	28.6
260.08310	15.2
263.10654	23.7
265.08606	4.6
275.06940	3.7
276.07715	16.1
276.55426	2.8
277.08478	4.6
287.13690	2.9
291.10120	50.7
292.10748	3.6
293.08017	7.5
306.13556	3.4
308.10379	6.8
323.05630	3.5
323.09290	5.9
323.12729	57.8
323.18597	3.4
324.12802	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73356	0.2
53.03936	0.8
55.01857	0.9
55.05499	0.8
57.03434	0.2
57.07072	0.3
67.05511	1.0
69.03419	0.5
69.07051	1.2
71.04984	0.4
71.57945	0.4
73.06539	0.2
77.03927	0.3
79.05064	0.3
79.05495	4.8
81.07050	2.6
83.04977	0.3
83.08614	0.8
85.06530	0.3
91.05468	2.6
92.06277	0.3
93.07043	1.0
95.04960	2.0
95.08613	2.1
97.10149	0.8
97.33804	0.2
103.04794	0.4
103.05464	6.9
103.89813	0.2
105.07026	14.7
106.07377	0.2
107.04971	0.6
107.08609	1.2
109.06521	0.8
109.10156	1.1
111.08074	0.4
115.05486	1.7
117.07022	0.7
119.04942	0.6
119.08562	0.5
120.05693	0.9
121.06544	0.5
121.10136	0.7
123.08038	0.7
123.11692	1.2
125.09616	0.3
128.06178	0.2
129.06960	0.2
131.04922	2.3
131.08578	0.4
132.05711	0.2
133.06483	2.4
133.07471	0.3
135.04359	1.1
135.08005	1.4
135.11661	0.4
137.05974	0.4
137.09610	0.8
137.13219	0.3
139.07549	0.6
139.11172	0.4
141.07004	0.6
144.05690	0.4
145.06497	0.7
147.04402	4.9
148.05171	0.9
149.06007	0.5
149.13206	0.6
157.12219	0.3
159.08060	0.5
159.11742	0.3
161.05984	0.9
163.07533	100.0
164.07898	1.9
165.09082	0.6
173.05989	0.5
175.07561	0.3
177.09111	1.0
187.07533	0.5
189.09076	0.4
201.05309	0.2
202.07704	0.2
204.59029	0.3
237.09174	0.3
248.08293	0.3
277.12039	0.2
291.10043	0.5
305.24683	0.9
308.10413	0.5
323.12762	9.5
323.25742	0.4
324.12842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03955	0.9
53.27747	1.1
54.13602	0.8
55.01867	2.4
55.05508	4.6
55.41810	0.8
56.96553	3.9
57.03414	1.2
57.07046	1.1
67.05499	4.5
69.03425	2.5
69.07056	4.2
71.04976	1.2
71.58134	2.1
71.89022	0.9
79.05491	5.9
81.03406	2.3
81.07056	11.3
83.05002	1.1
83.08630	1.0
85.06541	1.8
91.05475	8.5
92.28111	0.9
93.07031	5.2
94.04198	4.9
95.04949	3.5
95.08610	7.1
97.06518	3.3
97.10151	2.7
98.97579	3.1
101.46136	1.0
103.05452	4.2
105.03412	1.1
105.07030	13.7
107.04955	3.7
107.08563	4.5
109.06508	9.0
109.10132	5.4
111.08071	2.7
115.05457	5.3
116.98592	3.0
117.03340	0.9
117.06979	1.3
118.04163	1.9
119.08584	3.8
121.06538	1.6
121.10129	2.5
122.03644	10.1
123.04375	1.3
123.11711	1.8
124.07571	1.3
125.09638	1.7
127.12565	1.0
128.06244	4.7
128.98616	2.8
129.06992	1.7
130.93343	1.4
131.04907	2.4
131.08539	2.4
133.06476	9.0
133.10130	2.6
134.99631	1.0
135.11710	1.6
137.05977	100.0
137.09573	2.2
139.05444	1.2
139.07550	1.1
141.06987	2.7
142.07735	1.1
143.04961	1.5
143.08572	1.2
145.06448	2.0
145.10114	2.4
146.03635	10.4
146.99628	1.5
147.04402	3.1
147.08014	1.2
147.11693	1.7
149.05977	3.5
149.13301	1.3
151.03889	1.1
151.11160	1.0
152.06232	1.3
156.05626	1.8
157.06485	1.0
159.08046	2.7
161.05980	71.9
162.06541	2.3
163.07506	1.1
165.07043	2.2
167.04871	1.2
168.05708	1.8
169.06403	1.0
171.08063	3.7
175.07597	1.9
178.07742	1.6
184.05165	6.0
185.05957	1.5
187.07567	1.9
190.07732	1.6
191.08548	4.5
192.09338	2.6
197.04720	1.7
199.07536	37.2
200.08023	1.5
202.07764	22.8
202.09528	2.1
203.06998	3.3
203.08582	37.9
204.09081	2.9
205.06470	4.3
206.07207	1.4
215.08569	2.0
218.07190	2.0
219.01773	1.8
219.08063	14.7
220.05229	1.0
220.08817	12.3
221.04536	1.1
221.09538	2.6
230.07265	5.5
231.08055	47.4
232.08752	9.9
233.05891	1.8
233.09579	1.5
235.11177	3.1
237.02785	3.5
237.09093	2.2
243.08199	1.2
245.09583	2.8
246.10330	1.2
247.07523	10.0
248.05769	1.7
248.08324	23.3
249.09050	5.3
249.18587	1.2
258.06769	2.1
259.07535	35.5
260.08307	18.3
261.09012	3.9
262.09845	2.2
263.10657	26.5
264.11279	2.6
265.08542	3.5
273.09085	2.3
275.06943	3.7
276.07779	19.1
277.08606	12.3
280.10757	1.5
290.09216	1.9
291.10153	69.5
292.07547	2.0
292.10840	16.1
293.08078	8.6
293.11127	1.7
295.09894	1.8
295.13156	7.1
305.11551	1.4
308.10394	7.1
323.08826	4.3
323.12744	60.7
324.13211	2.7
341.09045	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
50.88375	0.2
51.02361	0.3
53.03932	0.3
55.01854	0.8
55.05507	2.7
56.96556	0.4
57.03418	1.0
65.03914	0.9
67.05499	4.1
67.65505	0.2
69.03405	0.8
69.07068	2.7
69.93934	1.5
71.04993	0.4
77.03902	0.7
79.05483	3.8
81.03412	0.7
81.06588	0.4
81.07050	6.9
83.04971	0.7
83.08595	1.0
85.02885	0.4
85.06535	0.9
91.05476	7.2
93.07033	2.5
95.01312	1.6
95.04956	1.9
95.08595	3.7
97.06522	0.7
97.10144	1.2
99.08092	1.5
103.05447	0.4
105.03398	1.5
105.07027	3.0
107.04942	2.2
107.08580	2.4
109.06496	3.4
109.10161	2.4
111.08060	0.7
113.05989	0.4
115.05443	0.9
117.07044	1.3
119.04928	4.9
119.08570	3.4
120.02068	0.4
121.02837	0.7
121.06502	0.7
121.10108	1.5
123.00748	0.7
123.04427	0.6
123.08041	1.6
123.11675	1.0
125.05973	0.3
125.09604	1.2
128.06218	1.2
129.06996	3.3
131.04910	0.7
131.08577	1.4
132.05650	0.7
133.02864	1.4
133.06480	1.3
133.10114	0.7
134.43419	0.3
135.04388	0.6
135.08037	1.6
135.11656	0.6
137.05963	0.8
137.09610	1.0
137.13243	0.3
139.01659	0.2
139.11136	0.3
140.37135	0.3
141.06978	0.5
143.08511	0.5
144.05690	0.9
145.06416	0.5
145.10080	0.7
147.04404	8.0
147.08043	5.9
147.11620	0.6
149.02332	3.1
149.05972	3.3
149.09599	0.6
149.13275	0.3
151.03886	3.1
151.07547	0.8
153.09047	0.4
157.06482	1.4
159.08037	0.6
159.11662	0.9
160.05188	0.9
161.02328	15.5
161.05977	5.3
161.09634	0.8
161.13252	0.3
163.03888	2.5
163.07523	0.4
165.09111	0.5
167.03387	6.0
167.06975	0.3
169.06500	0.6
173.11734	0.7
175.03923	2.2
175.07541	3.3
177.09189	0.3
179.03343	0.3
185.05972	6.0
186.06349	0.3
187.07491	0.8
188.04649	0.7
189.09052	0.3
189.16583	0.3
192.04106	0.4
193.05020	0.5
193.08531	0.4
197.05981	0.4
203.07011	100.0
204.07364	2.6
220.05191	0.3
221.08063	1.5
239.06985	0.3
245.15239	0.3
249.14833	0.4
259.16760	0.4
273.18362	0.5
277.17960	1.2
281.08322	0.3
281.11487	0.3
287.16412	1.2
291.10220	0.3
291.19522	0.4
305.11536	0.3
305.17447	2.9
305.24768	0.6
323.12741	23.9
323.18597	0.7
324.13141	0.9
326.68433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
53.03925	0.7
55.01867	1.3
55.05506	4.1
56.96547	0.3
57.03417	0.9
57.07051	0.6
65.03925	0.7
67.05499	5.4
68.99816	0.2
69.03422	1.5
69.06739	0.3
69.07067	3.6
71.04974	0.8
71.57561	0.4
73.06551	0.2
77.03884	0.3
79.05064	0.4
79.05486	4.5
81.03421	1.0
81.07049	9.4
83.04975	1.0
83.08604	1.6
85.02880	0.8
85.06531	1.0
91.05474	8.0
93.07040	4.3
95.01326	1.2
95.04971	2.3
95.08601	5.1
97.02886	5.0
97.06507	1.0
97.10162	3.1
98.97556	0.2
99.08087	4.5
101.06012	0.3
103.05437	1.4
105.03371	1.5
105.06309	0.3
105.07022	5.4
107.04946	2.0
107.08576	3.9
109.02880	0.3
109.06513	3.6
109.10143	3.3
111.04436	0.3
111.08069	1.5
111.11697	0.5
113.05984	0.3
115.05439	0.8
116.06213	0.4
117.07013	1.6
119.04932	4.1
119.08572	4.1
120.02133	0.2
121.02856	0.6
121.06464	1.6
121.10136	1.8
123.00783	0.6
123.04440	1.2
123.08053	2.7
123.11709	2.8
125.05969	0.4
125.09619	1.8
127.03896	0.4
128.06180	1.0
129.07004	3.4
131.01274	0.3
131.04897	0.9
131.08537	1.5
132.05682	0.7
133.02806	0.8
133.06488	1.4
133.10088	0.8
135.04436	0.5
135.08034	2.6
135.11674	1.1
137.05933	0.8
137.09575	0.8
137.13234	0.5
139.07494	0.5
139.11151	0.9
141.06947	0.5
143.08548	0.4
143.10622	0.2
144.05659	1.0
145.06470	0.8
145.10077	1.0
147.04404	8.4
147.08034	5.7
147.11633	0.8
149.02341	2.8
149.04770	0.4
149.05963	7.8
149.09633	0.5
149.13235	1.3
151.03889	2.9
151.07500	0.5
151.11171	0.3
153.05476	0.3
153.09077	0.6
153.12729	0.4
155.08543	0.3
155.10623	0.2
157.06465	1.2
157.10092	0.5
157.12207	0.3
159.08028	0.6
159.11690	0.6
160.05170	0.9
161.02336	13.9
161.05965	6.1
161.08337	0.2
161.09583	1.5
161.13205	0.3
163.03896	2.8
163.07539	10.8
163.11101	0.3
163.14850	0.6
165.09184	0.4
165.12746	0.3
167.03389	5.7
167.10696	0.2
169.06488	0.6
171.08109	0.3
171.11684	0.3
171.31447	0.2
173.05962	0.3
173.09579	0.4
173.11742	1.4
173.13100	0.4
173.81639	0.2
175.03922	2.4
175.07507	3.2
175.11115	0.3
175.14803	0.4
177.09004	0.3
177.12773	0.3
179.03429	0.3
179.07016	0.7
179.10707	0.3
185.05951	5.2
185.09486	0.2
185.13165	0.2
187.07524	2.8
188.04666	0.8
189.09166	0.4
189.11194	0.6
189.16402	0.3
189.63345	0.2
191.10580	0.2
193.08557	0.3
197.05942	0.6
199.07607	0.3
201.09129	0.8
202.07671	0.3
203.07014	100.0
204.07359	2.2
210.46275	0.2
213.05644	0.2
213.16454	0.3
219.06467	0.3
221.08095	1.3
221.15405	0.3
231.08037	0.3
231.13757	0.4
235.16844	0.3
247.07687	0.3
248.08412	0.3
251.07030	0.2
259.16794	0.5
263.10724	0.3
267.06311	0.3
273.18503	0.7
277.12015	0.3
277.17957	0.7
281.08221	0.4
281.11572	0.4
287.16483	1.6
291.10178	0.7
291.19449	1.2
295.09610	0.2
305.11710	0.5
305.17471	2.8
305.21008	0.4
305.24649	1.0
308.10550	0.3
323.12744	25.0
323.18842	0.6
323.25711	0.8
324.13287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
51.96600	0.3
53.03936	0.6
53.08127	0.3
54.20118	0.3
55.01860	0.9
55.05511	3.2
56.96532	0.4
57.03429	1.5
57.07064	0.7
59.04993	0.3
64.74789	0.2
65.03934	0.5
67.05508	3.6
69.03420	0.8
69.07065	3.8
69.67528	0.3
69.94543	1.8
71.05003	0.5
77.03916	0.4
79.05482	3.5
80.43625	0.3
81.03408	0.6
81.07055	8.8
83.04961	1.2
83.08620	1.3
85.06544	1.2
91.05477	7.3
93.07047	3.0
95.01313	1.0
95.04969	2.8
95.08605	4.4
97.06509	0.6
97.10153	2.8
99.08114	0.3
103.05479	0.7
105.03391	1.3
105.07038	2.6
107.04958	2.2
107.08588	3.0
109.02845	0.4
109.06517	2.5
109.10149	1.6
111.04445	0.7
111.08081	1.0
111.11732	1.0
113.05994	2.6
115.05431	0.6
116.06217	0.4
117.07015	1.5
119.04946	5.8
119.08583	3.9
121.02851	0.9
121.06477	0.7
121.10142	1.9
123.00797	0.8
123.04409	1.2
123.08073	0.8
123.11702	6.7
125.09603	0.4
128.06224	1.2
129.07004	3.3
131.04922	0.6
131.08568	0.9
132.05704	0.6
133.02809	1.3
133.06454	1.1
133.10136	1.1
134.52747	0.3
135.04398	0.5
135.07979	0.7
135.11707	1.0
137.05920	0.6
137.09604	0.6
137.13271	0.6
139.11179	2.7
141.06989	0.6
144.05693	1.2
145.06477	0.7
145.10135	0.7
147.04414	11.2
147.08034	6.3
147.11722	0.6
149.02319	2.9
149.05957	0.9
149.09642	0.4
149.13272	1.1
151.03897	3.0
153.05472	0.6
157.06512	1.5
157.12242	1.5
159.08051	0.7
160.05171	1.5
161.02335	13.7
161.05983	6.2
161.09642	0.9
163.03883	2.8
163.07513	1.1
163.11111	0.4
163.14835	0.4
167.03397	6.5
167.10654	0.3
169.06529	0.9
171.11783	0.4
173.11742	0.3
173.13159	0.3
175.03894	2.5
175.07549	3.7
177.09084	0.3
179.07037	0.4
181.12172	0.3
185.05971	6.0
187.07584	0.7
188.04625	0.6
189.11092	0.3
192.04153	0.4
193.12212	0.8
197.05986	0.7
203.07024	100.0
204.07329	2.5
220.05280	0.4
221.08054	1.5
223.07486	0.3
231.08217	0.3
235.07684	0.4
249.15025	0.5
249.18788	0.3
263.07010	0.4
267.06506	0.3
277.18307	0.4
281.08038	0.7
281.11639	0.4
287.16360	1.4
291.09976	0.5
305.11786	0.6
305.17502	2.4
305.20929	0.5
305.24731	1.1
308.06714	0.3
323.09393	1.4
323.12753	29.4
323.18680	1.0
323.25812	0.7
324.13171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77629	10.1
54.95807	10.2
62.99691	11.1
69.71187	75.9
75.99361	10.7
95.18810	11.9
98.20745	14.3
118.33124	11.4
195.10460	12.2
212.45319	12.9
323.07318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.05503	2.6
55.93998	1.4
67.05485	5.5
69.03414	6.4
69.07047	4.2
71.58466	2.3
79.05470	5.6
81.03401	1.8
81.07053	9.0
83.04982	3.5
83.08604	2.3
85.02890	2.0
85.06516	2.5
91.05495	6.4
93.07063	6.4
94.04180	1.6
95.04971	3.2
95.08593	7.2
97.06512	3.2
103.05419	3.7
105.07018	16.9
107.03725	1.5
107.04932	3.2
107.08566	5.0
109.06493	5.4
109.10153	6.3
111.08083	2.6
115.05424	5.1
117.03368	1.4
117.06980	2.3
119.08556	3.1
121.06453	1.7
122.03609	4.4
123.08064	1.5
123.11689	2.1
125.05991	1.7
125.09618	2.8
128.06218	2.0
129.06958	1.4
131.04921	2.3
131.08554	2.1
133.06473	10.2
133.10101	3.2
135.04333	1.6
135.11659	1.8
137.05975	48.9
139.11105	2.0
145.06494	1.8
146.03619	11.1
147.11629	1.5
147.27417	1.3
151.07535	2.2
153.12747	1.5
159.07988	1.6
161.05978	100.0
161.13179	1.7
162.06392	1.8
167.04903	2.2
171.08034	1.8
171.76112	1.5
175.07468	2.2
184.05220	3.6
189.06973	2.2
191.08577	4.9
199.07535	17.0
202.07756	26.8
203.08540	42.4
204.09059	1.5
205.06450	4.8
215.08551	1.7
219.08041	13.3
220.08855	11.6
230.07155	4.5
231.08041	62.7
232.08801	8.4
233.06081	1.9
235.07420	2.3
235.11200	2.1
237.08932	2.4
245.09602	1.9
247.07532	11.2
248.08318	28.0
249.08917	4.3
258.06802	4.7
259.07520	42.5
260.08270	20.5
261.09027	2.8
262.09720	2.6
263.10654	31.3
264.11301	1.6
265.08511	4.2
273.09164	1.7
275.07071	2.8
276.07806	19.1
277.08594	8.0
290.09540	1.9
291.10135	82.7
292.10693	8.4
293.07980	8.3
295.09708	1.8
295.13171	4.2
305.14743	1.8
308.10532	7.6
323.12717	79.2
324.13019	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87803	2.8
55.05505	9.6
57.07081	3.5
62.06087	100.0
67.05499	25.8
69.07060	6.4
71.03416	6.6
79.05475	15.3
81.07055	26.5
83.04956	3.5
91.05477	6.6
93.07038	21.0
94.14069	2.7
95.04939	5.3
95.08611	19.4
97.10183	5.3
105.07034	8.7
107.08614	13.1
109.06568	2.8
109.10162	11.4
113.42699	3.1
119.08549	3.8
121.10153	7.3
122.65724	2.6
123.08109	3.8
123.11687	4.4
131.08641	4.3
133.10112	7.7
135.11685	6.1
147.11639	2.9
159.11681	4.0
161.13281	3.0
242.02022	2.8
243.21068	5.3
267.06534	3.6
291.19629	11.1
305.21078	4.1
305.24817	3.5
322.27411	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78629	1.1
55.01862	1.7
55.05509	5.6
56.96583	1.8
57.03436	3.3
62.06090	100.0
67.05504	25.0
67.05835	0.7
69.07066	7.0
71.40492	2.2
74.55588	1.3
79.05498	15.2
81.07054	26.4
83.04977	2.4
83.08627	3.5
87.83295	1.2
91.05488	7.8
93.07041	16.5
95.04978	2.8
95.08602	20.6
99.04498	1.3
105.07037	6.4
107.04970	2.4
107.08587	9.1
109.10149	8.0
117.07014	3.4
119.08607	3.6
121.10128	6.1
123.08073	1.6
123.11729	3.0
131.08583	4.3
133.10173	2.6
135.08035	2.1
135.11699	3.7
137.06068	1.4
137.13213	1.2
145.10092	1.8
147.04413	1.6
147.11682	1.8
149.13290	3.2
159.11682	2.3
161.06024	1.7
161.13226	2.1
163.11166	2.0
163.14790	2.2
166.21965	1.2
177.16351	1.3
213.09090	1.5
226.18256	1.6
235.54294	1.2
237.05540	2.4
243.20999	2.6
250.06276	2.8
261.22205	4.1
266.05838	2.7
267.06537	2.6
280.07239	1.9
281.08148	10.5
290.18292	2.8
293.08069	2.3
304.26456	3.7
305.24591	2.6
308.10437	1.3
322.27499	6.9
322.66736	1.4
323.12790	11.3
323.18091	1.3
323.25809	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01870	1.3
55.05503	1.0
56.05024	0.9
56.96560	5.4
57.03423	1.6
57.07034	0.5
59.04980	0.5
61.02922	3.4
67.05504	0.9
68.05021	1.8
69.03427	6.5
69.07061	1.2
69.88642	2.0
70.06589	3.4
71.04983	1.0
73.02903	2.0
74.06077	0.6
79.05498	2.6
80.05006	7.6
81.03047	0.4
81.03426	4.3
81.07056	8.3
83.04967	2.0
84.04502	22.9
84.08124	1.1
84.96031	0.7
85.02904	13.7
85.06501	0.6
86.09699	0.6
87.04457	1.0
88.03962	0.5
89.03901	1.0
91.03941	0.7
93.07026	0.7
94.06537	0.6
95.04993	0.8
96.08134	2.6
97.02885	5.7
97.06532	2.2
98.06039	1.5
98.21509	0.5
98.97583	5.2
99.04443	0.9
100.07610	0.9
107.04951	1.2
107.08577	0.9
109.02877	1.5
110.07166	0.9
110.97574	0.8
112.08728	0.5
114.09161	1.7
116.98627	5.2
117.03407	0.5
119.01903	1.8
120.02021	0.6
120.08099	1.7
123.11707	0.6
124.07593	18.3
124.08494	1.1
125.05990	1.7
127.03917	3.0
127.75940	0.5
128.02277	0.5
128.98618	1.2
133.01724	0.6
134.99664	3.1
135.04488	0.5
137.02899	0.6
142.06839	0.7
142.08646	5.5
142.12259	1.5
143.07028	1.4
145.01736	0.5
145.04944	1.4
146.99648	2.4
147.03204	0.5
149.01248	0.9
153.00726	0.8
158.99649	1.8
159.03313	0.6
160.09686	100.0
161.01222	0.7
161.09988	0.5
163.02757	0.6
163.03871	3.2
169.00211	0.6
170.05116	0.8
174.76370	0.4
177.00684	2.8
177.04424	1.0
189.00674	0.8
190.98558	0.5
193.00119	0.5
194.06990	0.9
198.56277	0.6
203.07468	1.1
212.07996	0.9
219.01709	1.3
220.03871	0.5
220.05920	0.6
237.02879	2.9
248.03314	0.6
309.08679	0.5
317.01343	0.9
322.05441	1.8
322.14883	2.1
322.18652	1.1
323.12326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	11,12-EET
Peak:m/z	Relative Intensity
52.62294	2.5
53.03935	4.3
55.01864	8.7
55.05511	68.3
56.96557	3.3
57.03442	7.7
57.07066	10.9
67.05504	48.0
67.05837	5.7
69.03429	25.0
69.07066	55.1
70.06607	3.5
71.05002	15.1
71.58207	6.0
74.21061	3.0
79.05493	30.6
81.03417	8.1
81.07055	100.0
83.04978	10.4
83.08604	11.8
85.06549	14.8
91.05490	26.9
93.07042	60.3
95.04969	26.3
95.08606	81.6
97.06536	18.7
97.10172	73.7
99.04472	5.6
99.08104	6.3
103.05461	3.3
105.07023	42.5
107.08592	62.9
109.02882	5.6
109.06499	20.2
109.10157	59.7
111.08088	16.2
111.11713	3.9
113.09599	3.6
117.07020	5.5
119.04888	4.1
119.08584	38.8
121.06512	6.4
121.10145	55.7
121.11023	2.9
123.08065	14.4
123.11700	50.5
125.09639	24.1
127.11188	3.6
129.07028	4.2
131.08560	14.5
133.10121	25.3
135.08069	7.9
135.11696	28.4
137.09610	39.6
137.13246	8.3
139.07521	27.0
139.11171	7.2
143.08569	4.3
143.10663	24.7
145.10103	14.8
147.04387	6.8
147.08040	4.5
147.11710	22.9
149.09589	8.0
149.13235	27.7
151.11143	15.2
155.10684	9.3
157.10144	5.5
159.08009	3.6
159.11755	13.9
161.09637	3.7
161.13264	15.7
163.11230	9.8
163.14833	6.9
165.09117	44.9
165.12775	15.3
171.11737	3.8
173.09569	4.5
173.13303	9.4
175.11121	4.0
175.14932	4.9
177.05548	3.0
177.12784	7.9
177.16426	3.6
179.14360	8.5
183.10179	8.1
183.11652	3.8
183.37843	3.5
187.14810	7.3
189.16373	4.4
191.14407	5.1
191.17973	9.7
201.11208	6.0
201.16454	3.9
203.17876	3.1
205.16003	6.2
218.07219	4.7
235.16994	3.4
246.06862	3.9
247.17039	4.0
257.12891	4.1
257.22607	4.6
258.11160	3.2
261.09097	4.0
263.06979	4.6
275.23828	5.2
285.22110	5.5
289.08554	10.4
291.09833	3.3
293.08160	4.8
303.13159	5.7
303.23120	39.5
306.08875	5.6
321.11301	29.6
321.17242	4.8
321.24228	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.2
55.01865	12.3
55.05499	32.1
57.03425	16.5
57.87464	4.7
60.62733	4.6
64.21252	5.4
65.03935	5.1
65.95107	4.8
67.05505	54.4
69.03445	7.0
69.07062	17.6
71.57475	6.0
73.84215	5.4
79.05485	56.9
81.03415	13.4
81.07052	65.2
83.04983	13.5
83.08624	9.2
85.06561	8.3
89.09615	5.7
91.05473	76.5
93.07034	100.0
95.04959	42.9
95.08591	55.8
97.06514	11.6
97.10149	7.9
103.05475	12.2
105.07023	42.9
107.04951	19.3
107.08587	32.5
109.06515	22.3
109.10174	16.2
111.08085	9.5
112.41959	6.2
115.05502	5.1
117.07053	17.2
119.08571	38.6
121.02835	9.4
121.06499	63.1
121.10149	28.5
123.04432	7.5
123.08081	13.5
125.09638	7.3
129.06979	12.8
131.08545	37.3
133.06502	18.6
133.10136	17.5
135.04417	8.2
135.08076	23.5
135.11693	10.0
137.09605	17.2
143.08501	8.2
145.06450	7.5
145.10135	20.3
147.08060	11.8
147.11739	8.9
149.09636	15.3
151.07487	8.7
157.10141	7.0
159.08032	12.7
159.11638	8.2
161.09657	9.7
163.07504	26.0
171.11800	7.0
173.09615	12.3
177.09108	11.3
179.14175	6.7
183.11752	9.9
187.11180	6.9
191.10762	8.1
199.11227	10.5
215.14394	8.4
229.33463	5.2
247.08664	6.1
261.18442	9.0
271.16962	18.4
279.06598	23.1
289.17969	49.8
303.16232	6.4
303.19638	14.8
310.76834	5.5
321.11285	14.1
321.20615	25.3
321.24008	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	11.4
55.05266	3.8
55.05509	70.9
56.96555	6.7
57.03429	47.7
61.83040	3.8
65.03928	5.5
67.05183	5.9
67.05506	92.7
67.77279	4.6
69.03425	11.6
69.07071	24.7
69.50089	11.9
69.50499	26.2
78.88538	4.7
79.05051	7.3
79.05495	77.5
80.05830	5.2
80.61534	4.4
81.03415	10.1
81.06582	6.1
81.07056	100.0
83.04977	28.4
83.08611	31.5
85.02901	6.9
85.06522	7.2
91.05476	54.5
93.07046	71.7
95.04948	16.4
95.08606	78.7
97.06548	12.5
97.10177	38.6
98.97599	9.2
105.07031	42.9
107.04941	18.3
107.08586	50.2
109.06509	9.8
109.10135	26.6
110.14212	4.3
111.08092	9.7
116.98621	8.2
117.06985	20.7
119.08587	32.7
120.65935	4.7
121.06499	12.5
121.10158	33.1
123.08051	14.9
123.11726	7.5
125.09634	39.4
128.06239	5.3
128.98604	4.4
129.06949	4.8
129.98820	4.4
131.08582	28.9
133.06476	9.0
133.10115	15.1
134.99646	4.6
135.08054	32.3
135.11674	22.9
137.09596	8.0
143.08591	7.2
145.06464	8.8
145.10110	20.3
146.99629	6.0
147.08000	7.5
147.11700	16.2
149.05925	4.2
149.09599	15.9
149.13222	11.8
151.07536	5.1
151.11177	7.0
153.09099	8.8
157.10027	7.4
159.08060	25.7
159.11705	10.5
161.13258	4.1
163.07503	9.5
163.11200	4.4
163.14693	5.2
173.09706	4.1
173.13254	5.9
177.00763	7.9
177.09067	13.8
201.00676	4.7
203.12805	16.4
215.14314	7.7
229.19612	8.5
233.15329	13.9
240.12061	4.1
247.20590	9.6
253.15892	4.6
261.18430	5.0
271.16898	17.5
289.17990	98.9
303.19470	4.2
303.23019	12.1
321.11102	9.3
321.20508	21.1
321.24234	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08596	3.1
55.01842	10.9
55.05276	3.3
55.05509	38.5
57.03437	65.4
57.07056	4.2
67.05505	45.2
69.03430	3.8
69.07061	16.1
69.43291	13.5
69.43722	13.7
71.04968	5.1
71.08620	4.2
73.06535	7.5
79.05494	34.6
81.06645	4.2
81.07049	47.5
83.04976	53.3
83.08593	8.4
85.06551	5.9
91.05472	36.5
93.07040	35.1
95.04930	12.0
95.05484	2.8
95.08604	33.6
97.06504	5.6
98.20758	6.3
99.04456	6.0
99.08092	3.6
105.07031	32.5
107.04949	46.1
107.08576	21.1
109.06512	39.5
109.10130	11.1
111.04449	38.0
111.08067	8.8
112.99983	3.7
113.05990	6.0
114.63345	2.8
117.07003	19.8
119.08581	28.5
121.06525	15.7
121.10107	13.5
123.07190	5.2
123.08059	75.2
125.05981	6.0
128.06190	3.1
129.06975	11.1
131.08618	17.2
133.06471	13.5
133.10078	17.4
135.08029	22.8
135.11647	11.1
137.09683	6.8
140.00096	2.9
143.08545	6.8
144.05695	3.5
145.06468	11.8
145.10147	16.2
147.08041	9.6
147.11691	4.7
149.05978	8.2
149.09613	10.6
151.07481	3.9
155.08511	11.5
157.10121	5.7
157.14943	3.2
159.08063	17.0
159.11693	9.0
161.09599	11.8
161.13266	7.3
163.07538	10.8
163.11134	11.0
169.10182	6.7
171.11667	8.2
173.09615	7.2
173.13280	6.4
175.11195	3.7
177.09106	8.4
177.12694	9.1
179.12749	4.4
179.14310	72.6
187.11133	6.2
187.14789	7.4
189.12669	6.0
193.08580	4.5
197.13222	4.9
199.11174	4.7
205.15881	14.5
215.14310	9.5
217.12195	3.2
225.12898	3.5
233.15344	35.4
241.59206	3.0
243.17393	10.8
244.85359	2.9
250.89996	2.8
253.15900	4.8
258.52780	2.8
261.18542	16.1
265.18042	14.3
271.16937	24.1
276.17047	2.7
289.17938	47.9
321.20761	6.7
321.24197	100.0
321.30005	4.6
328.59732	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.9
65.34056	1.1
67.05490	5.2
69.03403	2.5
69.07063	2.5
71.58015	2.3
76.75747	1.2
78.08365	1.1
79.05488	3.9
81.07056	8.8
82.95493	1.3
83.04989	1.3
87.25229	1.3
90.41022	1.2
91.05463	4.9
93.07027	4.7
95.04957	2.4
95.08606	8.0
97.10170	1.6
105.07051	4.0
107.08569	3.3
109.06567	1.8
109.10145	3.5
117.07023	1.5
119.08594	4.2
121.10103	2.3
123.11726	2.4
125.09679	1.9
131.08603	2.5
133.10089	2.6
135.08110	1.4
135.11678	2.0
137.05984	1.7
147.11748	1.7
149.09778	1.3
149.13271	1.6
151.87779	1.4
171.08029	1.3
173.97734	1.2
179.89308	1.4
180.48041	1.2
184.00969	1.4
303.23181	2.3
321.07532	4.9
321.16739	100.0
322.07913	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76171	0.6
51.94429	0.6
61.02959	0.6
69.03415	1.1
69.84095	3.7
70.06597	1.6
81.03416	1.0
85.02904	1.8
93.26566	0.8
95.06088	1.1
103.28106	0.7
111.05571	3.6
114.09164	1.5
119.01929	1.3
123.05563	2.9
130.64659	0.6
131.01892	1.4
133.03485	2.7
141.06592	6.1
142.08626	1.1
145.03529	0.8
157.03467	1.0
158.11774	0.7
159.04971	1.1
159.06474	0.7
159.07632	4.3
160.09691	5.8
161.02930	1.2
171.05052	0.8
173.02951	0.9
175.04710	0.8
177.06105	0.8
219.07158	1.2
221.05070	1.0
231.07104	1.6
245.05057	0.7
255.07173	0.7
321.11572	100.0
322.11823	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19032	8.0
52.03112	7.0
52.45939	7.3
53.03934	12.0
55.05508	48.0
56.96553	11.2
62.91919	7.7
68.99766	10.4
69.03431	100.0
69.07064	12.2
69.81691	24.2
69.82104	27.6
71.05001	18.1
73.02932	10.1
73.06551	81.6
81.03416	75.4
84.08142	15.4
85.02895	75.4
87.00806	17.1
91.05551	9.1
96.44072	7.9
97.02883	67.0
99.04440	27.7
99.69021	8.3
101.06004	65.7
105.01858	8.4
105.70586	8.6
109.02878	48.6
112.79235	8.7
115.07464	7.4
124.63251	7.4
127.03911	72.3
130.06534	8.3
153.01791	11.2
160.07538	8.6
160.09666	8.8
169.01357	9.5
199.09691	9.5
224.14136	8.1
226.57921	9.4
231.04958	13.0
234.98996	13.3
244.87961	9.3
316.40802	8.6
321.06354	19.3
321.14362	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.9
65.34056	1.1
67.05490	5.2
69.03403	2.5
69.07063	2.5
71.58015	2.3
76.75747	1.2
78.08365	1.1
79.05488	3.9
81.07056	8.8
82.95493	1.3
83.04989	1.3
87.25229	1.3
90.41022	1.2
91.05463	4.9
93.07027	4.7
95.04957	2.4
95.08606	8.0
97.10170	1.6
105.07051	4.0
107.08569	3.3
109.06567	1.8
109.10145	3.5
117.07023	1.5
119.08594	4.2
121.10103	2.3
123.11726	2.4
125.09679	1.9
131.08603	2.5
133.10089	2.6
135.08110	1.4
135.11678	2.0
137.05984	1.7
147.11748	1.7
149.09778	1.3
149.13271	1.6
151.87779	1.4
171.08029	1.3
173.97734	1.2
179.89308	1.4
180.48041	1.2
184.00969	1.4
303.23181	2.3
321.07532	4.9
321.16739	100.0
322.07913	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.8
61.02921	1.2
69.03426	2.5
70.06587	1.7
70.62407	1.5
70.62801	1.7
73.15531	0.7
81.03394	1.6
85.02899	5.3
89.00836	0.9
95.06080	1.1
96.08107	2.2
97.02898	2.6
98.97594	6.3
101.00872	5.8
103.02413	1.3
110.24551	0.8
110.97470	0.8
111.05612	1.0
113.00871	2.1
114.09162	1.7
115.02421	6.9
116.98618	3.4
117.03987	2.4
119.01911	25.6
121.03457	0.8
127.02457	1.1
127.03842	1.2
128.98598	2.3
129.04018	1.3
131.00259	1.3
131.01906	17.5
133.03462	22.5
134.03543	1.1
134.99672	0.8
135.05014	4.7
137.02975	5.6
141.06589	1.1
142.08615	1.3
143.01872	5.0
145.03471	7.6
146.99596	1.3
147.01375	1.2
147.03278	2.1
147.04993	4.5
149.02962	3.3
151.04535	4.1
155.01878	12.4
156.02690	1.4
157.03505	3.8
158.99681	1.4
159.05032	12.1
160.09698	8.2
161.02969	11.8
161.06436	1.1
163.04605	3.6
168.99835	1.0
171.05014	13.4
171.06381	1.4
173.01573	0.7
173.02956	14.8
173.06609	2.5
175.04483	3.7
177.00699	1.3
177.02448	0.7
177.04482	1.8
177.06102	7.0
183.05031	2.0
185.02925	2.0
185.06557	1.6
187.00883	3.0
187.04512	1.8
189.02396	2.2
189.06070	9.7
191.04028	2.1
193.03552	0.8
195.05426	1.4
195.07126	2.4
197.02934	1.7
201.04407	1.1
201.06030	4.2
203.03946	4.4
205.01955	1.5
205.05446	0.9
211.04826	1.1
213.04326	0.8
213.06044	3.9
215.00391	5.3
219.01700	1.6
219.03700	0.9
219.07162	10.1
221.05067	23.1
222.05466	1.4
229.01987	1.4
231.07123	7.9
233.01259	1.0
233.05139	1.4
233.08707	1.5
237.02792	4.0
243.07150	1.0
245.05095	6.3
247.02959	6.8
255.07101	2.1
261.08228	21.8
262.08264	1.0
263.06046	1.3
265.04141	1.1
273.08218	2.7
279.09244	24.9
295.07190	0.8
321.11597	100.0
322.11127	2.8
322.15042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01880	0.9
55.05512	1.3
57.03445	0.9
60.04506	0.9
65.03940	3.0
67.05509	5.2
69.03414	2.8
69.07062	2.6
70.02950	1.6
70.06582	1.0
70.07912	0.7
70.87189	2.6
71.04990	1.6
71.82652	1.0
78.12893	0.7
79.05484	4.4
81.03418	2.6
81.07066	6.1
83.04971	2.8
83.08616	1.2
84.04472	1.0
85.02892	1.7
88.03992	1.2
91.05480	27.7
93.07048	6.5
95.04974	6.4
95.08598	5.2
97.02911	1.0
97.06541	1.7
99.08092	0.9
102.05562	5.6
105.07024	4.2
107.08583	4.4
108.55637	0.7
109.06498	0.8
109.10141	3.1
111.08097	1.1
115.05470	1.0
117.06984	1.8
119.04945	31.6
119.08573	3.1
121.06542	1.2
121.10152	3.1
122.06023	1.8
123.04478	0.9
123.11726	1.3
124.07488	0.8
125.05977	0.9
128.06189	1.0
129.05537	0.9
129.07040	1.7
131.08585	1.7
133.06421	1.3
133.10132	1.6
135.07985	0.7
135.11696	1.9
136.07608	1.2
143.08524	1.6
146.04829	1.4
146.06006	29.2
147.04408	100.0
147.11717	1.5
148.04817	0.9
148.06023	1.9
149.09607	1.5
149.13332	0.9
152.07060	0.8
159.11681	1.2
161.09575	1.3
161.13274	0.9
164.07077	1.8
165.05446	2.5
174.05536	5.0
174.87569	0.7
182.08092	0.9
189.12816	0.8
189.16409	3.0
202.10828	1.1
217.12164	1.1
243.11311	1.5
249.18454	1.7
259.11115	0.9
267.19418	1.0
285.12378	1.6
285.15210	0.9
289.08521	1.4
289.11795	0.9
303.13330	1.3
321.11002	2.1
321.14398	1.8
321.24240	1.1
338.35324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39177	4.9
56.96557	23.6
57.03448	4.9
69.03429	6.0
71.57199	5.0
85.02895	12.5
97.02887	7.2
98.06097	5.5
98.97585	36.3
101.00877	15.9
102.53552	4.6
103.02450	4.9
109.22714	3.9
110.97552	5.9
111.88033	3.9
113.00877	6.9
115.02409	9.7
116.98644	21.4
117.03974	6.8
119.01907	61.1
127.03934	5.5
128.98558	12.4
131.00174	9.9
131.01907	41.4
133.03458	39.9
134.99669	8.9
135.05043	10.6
137.02948	19.4
143.01871	15.7
145.03450	16.7
146.99736	6.0
147.03308	5.8
147.04959	6.0
149.01189	6.0
149.02937	7.5
151.04529	13.5
154.00404	5.0
155.01904	30.7
156.02629	4.7
159.05025	35.2
161.02975	28.8
162.99191	4.2
163.04509	14.0
171.05017	33.9
172.05247	5.2
173.02957	40.8
173.06581	9.7
175.04474	11.5
177.00705	7.3
177.04344	14.4
177.06090	20.3
185.02951	4.9
187.00877	12.3
189.02440	7.8
189.04524	7.7
189.06075	34.0
191.04022	8.1
195.05441	9.9
197.02969	5.2
201.04338	10.7
201.06125	17.1
203.04062	11.0
203.07654	4.7
205.01903	7.8
213.06093	7.4
215.00343	18.8
219.01797	12.3
219.05296	8.3
219.07138	15.7
221.05055	66.1
229.01831	7.8
231.07205	15.4
233.01350	8.9
233.05028	5.5
237.02776	33.5
243.07307	6.3
245.05133	8.7
247.02992	29.0
261.08252	77.6
262.08255	5.3
279.04160	5.5
279.09247	99.8
303.87527	4.6
321.11395	100.0
339.09747	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24339	0.3
53.03915	0.3
55.01859	1.3
55.05251	0.3
55.05502	1.0
57.03433	0.7
61.02917	0.7
61.03191	0.3
67.05498	0.9
68.75472	0.2
69.03432	2.2
69.07066	0.4
70.06600	0.6
70.82326	0.3
70.82661	0.7
71.04968	0.4
73.02897	0.3
79.05481	0.9
81.03406	1.0
81.07056	3.6
84.08138	0.3
85.02901	5.0
87.62634	0.2
95.04988	0.3
95.08611	5.2
96.08134	2.7
97.02899	1.7
97.06529	21.2
98.06048	1.8
98.09689	1.2
98.97564	0.3
99.04437	0.4
109.02847	0.5
123.08067	4.7
127.03940	0.8
136.07579	0.3
140.10704	6.6
141.09102	6.4
145.04929	0.4
147.04315	0.4
158.11765	100.0
159.12079	1.1
203.03398	0.9
261.03940	0.6
320.16937	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60464	0.8
55.01865	1.4
55.05498	1.8
57.03419	1.3
67.05482	1.8
69.03423	2.2
70.06586	1.0
71.04144	2.1
71.04990	1.1
81.03418	1.6
81.07066	5.5
83.08584	1.1
85.02905	5.7
91.05508	0.8
93.07015	1.0
95.08623	6.0
96.08101	2.5
97.02874	2.5
97.06530	22.0
98.06037	1.6
105.07079	0.7
109.02879	1.0
120.63364	0.9
123.08070	4.9
127.03915	1.6
134.06035	1.9
136.07541	2.2
140.10707	6.5
141.09064	5.7
152.07056	1.4
158.11765	100.0
164.07025	1.6
181.53760	1.0
303.13220	1.1
320.16928	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46170	0.4
55.01859	1.6
55.05499	1.3
56.96548	1.6
57.03417	1.0
58.06596	0.5
61.02911	1.1
67.05484	1.7
69.03437	3.0
69.07055	1.3
70.06576	0.9
71.04993	0.9
71.41979	0.8
72.08154	0.7
73.02916	0.7
79.05470	1.5
81.03413	1.2
81.07050	5.3
84.04492	1.3
84.08143	0.8
85.02898	7.1
86.09707	0.9
87.04431	0.6
88.11213	0.5
91.05489	0.6
93.07100	0.6
95.04938	0.9
95.08063	0.5
95.08600	6.6
96.08128	2.9
97.02885	2.7
97.06523	20.8
98.06045	2.4
98.09686	0.8
98.97576	3.1
104.10746	1.1
105.07048	0.7
109.02873	0.8
111.05563	1.0
112.07587	0.5
116.07063	0.8
116.98605	2.0
119.01912	1.2
122.05992	0.6
123.05569	1.6
123.08072	4.7
127.03903	1.6
128.98592	0.6
134.06030	0.8
134.99651	1.2
136.07561	0.6
138.52936	1.5
140.07066	1.6
140.10693	6.4
141.06589	2.1
141.09088	6.3
145.04904	0.7
146.99603	0.7
158.03194	0.7
158.08128	1.5
158.11755	100.0
159.07675	0.8
159.12094	1.2
164.07057	0.8
174.07761	0.6
177.00697	1.3
184.07381	1.0
196.34435	0.5
219.01723	1.2
237.02827	0.6
238.56412	1.6
260.12897	0.6
302.12094	0.5
303.13370	0.9
320.13629	1.0
320.16977	2.8
320.24335	1.2
321.11600	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05513	13.7
57.07072	5.3
59.48835	1.6
67.05501	28.6
69.07065	13.3
71.08640	3.5
71.59032	2.5
79.05492	19.0
81.07053	100.0
83.04992	1.9
83.08620	8.0
85.06541	10.8
85.10201	2.4
85.82373	1.5
91.05485	10.8
93.07038	39.0
95.04975	3.1
95.08603	76.9
97.06519	2.3
97.10149	4.7
105.07033	8.0
107.04930	1.8
107.08596	35.3
109.06503	6.6
109.10152	42.1
109.10839	3.5
111.11700	2.5
119.08607	4.5
121.10141	23.6
123.08067	4.2
123.11702	20.0
127.07569	6.5
131.08496	2.4
133.10136	6.9
135.11685	25.8
137.09619	2.2
137.13248	7.3
147.11716	2.7
149.05952	2.8
149.09669	2.5
149.13243	17.6
159.11642	2.6
161.13257	3.7
163.14815	3.5
165.12727	2.0
177.16386	3.5
195.13806	4.7
205.16022	2.7
209.15335	2.9
301.01743	4.4
319.26535	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57489	5.4
97.02905	3.6
98.97539	4.1
143.01910	4.4
161.02850	4.2
200.34770	4.0
202.26828	3.6
237.56465	4.4
290.80222	4.1
319.10141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66838	2.9
70.82608	4.2
70.82915	5.0
73.56026	3.1
120.70246	2.8
129.14053	2.9
130.55365	3.0
130.64827	3.1
228.53670	3.3
245.06329	9.3
301.12070	3.7
319.10114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26043	2.7
53.03941	8.0
55.01867	7.2
55.05516	15.7
57.03444	12.6
59.05001	3.4
60.04525	5.5
61.02926	15.9
67.05505	11.5
69.03431	43.3
69.07069	100.0
69.34369	2.7
70.06586	6.3
70.55096	5.5
70.55459	5.6
71.04997	46.3
72.08162	12.2
73.02929	5.5
73.08488	3.1
79.05494	12.4
81.03419	25.6
81.07064	16.2
83.04967	5.1
83.08604	4.6
84.04514	4.0
85.02905	98.4
85.06536	7.6
85.48252	2.6
86.09706	10.3
87.04484	5.3
87.05604	2.7
87.08117	6.3
87.10024	4.4
91.03960	5.3
91.05481	11.4
93.07056	14.3
94.06584	5.3
95.04961	7.2
95.08604	15.2
97.02891	39.0
97.06538	29.2
97.10169	11.2
98.06069	3.3
99.04446	6.7
99.08097	18.2
105.07040	8.3
107.04964	4.8
107.08584	6.8
109.02872	15.6
109.06581	4.1
110.06060	3.7
111.04414	4.6
111.08098	5.2
111.11718	62.1
113.06041	3.1
116.98656	3.9
117.07061	2.5
119.08563	6.2
120.08118	2.8
121.02805	4.2
121.10153	17.8
122.06000	12.7
123.11713	4.6
124.07635	3.2
127.03933	19.2
129.07010	3.2
130.06511	5.3
131.08574	4.9
133.10152	5.2
134.99710	5.0
135.04478	3.6
135.08101	3.0
136.07545	3.7
137.02264	3.1
137.06004	3.8
138.05435	3.4
139.11182	73.1
139.12218	5.0
140.07039	6.0
140.11087	2.5
143.08609	2.9
145.04985	16.2
145.10132	3.1
157.07593	5.4
157.12233	67.6
159.11359	9.6
160.11642	4.5
162.05650	3.9
163.03911	4.1
177.05518	3.3
178.05028	15.8
179.49364	2.6
200.12633	2.6
203.08359	3.4
214.08575	4.8
226.11086	2.9
227.11691	4.6
255.11244	3.0
256.09872	3.5
259.10800	7.1
270.09973	5.9
273.03949	5.2
273.12357	7.5
301.11581	31.0
319.04489	6.0
319.12646	16.3
319.22903	3.5
319.26654	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01868	1.7
55.05504	9.1
64.33976	1.4
67.05503	22.6
69.03411	1.9
69.07069	8.6
71.04980	3.3
71.13523	2.6
73.38779	1.2
79.05490	19.4
81.03435	1.6
81.07052	29.7
83.04967	3.7
83.08610	5.5
84.04489	5.9
85.02895	1.6
91.05483	14.5
93.07043	22.1
95.04977	1.6
95.08601	28.0
97.06544	9.8
97.10149	2.7
105.07020	9.4
107.04948	2.6
107.08579	13.8
109.06517	4.8
109.10149	12.8
110.06001	2.1
111.08087	2.4
117.06982	3.8
119.08567	11.9
120.08942	1.4
121.06515	5.2
121.10130	17.1
123.08085	5.3
123.11711	2.7
129.06998	3.1
131.08569	13.3
133.06418	1.7
133.10078	7.0
135.08057	6.5
135.11682	3.6
137.09596	6.1
138.09137	2.1
145.10110	14.6
147.08015	2.5
147.11661	3.9
149.05936	2.0
149.09587	8.3
151.11198	2.5
153.09152	2.5
159.11697	3.0
161.13239	1.5
163.11198	7.4
163.14899	1.5
167.10596	1.9
169.10091	5.1
177.16371	4.1
183.11684	1.9
187.14821	10.7
201.16386	7.2
211.14818	17.1
219.17371	4.2
223.16934	7.6
229.15825	5.1
236.20026	4.4
237.18520	8.1
238.21689	6.6
240.19601	1.9
241.17984	11.6
247.16940	23.5
256.22736	2.0
259.10745	2.8
264.19550	4.3
265.17984	7.1
283.19064	1.7
301.11688	4.0
318.22736	100.0
319.22986	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85714	0.5
51.60246	0.5
53.03946	1.0
55.01860	1.7
55.05502	1.6
56.96566	3.2
57.03433	3.1
61.02923	3.6
66.18950	0.6
68.98733	0.5
69.03424	9.0
69.81549	2.7
70.06596	5.1
71.04994	1.1
72.08144	1.1
73.02919	2.9
79.05495	1.2
81.03426	3.7
81.07048	3.0
82.06576	1.1
84.08143	2.6
85.02902	12.8
86.09696	0.7
87.04456	2.7
91.03950	1.1
93.07036	1.4
95.08591	0.8
96.08121	1.6
97.02887	7.6
97.06528	6.2
98.97588	4.2
99.04462	1.7
107.04959	2.3
109.02880	1.4
110.06042	5.5
110.09689	4.3
116.98618	3.4
119.01895	0.8
127.03094	0.5
127.03899	3.2
128.98567	1.0
129.10304	0.6
129.62112	0.5
133.03392	0.5
134.99637	1.2
135.04434	0.8
135.41855	0.5
136.06152	0.9
136.07584	1.1
138.05498	77.3
138.12772	17.2
139.05855	1.9
139.11195	0.7
143.00177	0.9
145.01772	0.6
145.03362	0.6
145.04938	1.6
146.99609	1.1
149.01282	0.5
149.05994	1.1
153.06390	1.2
154.03853	2.0
154.08586	0.9
155.02829	0.5
155.04633	1.3
156.03700	0.9
156.06549	31.7
156.10223	2.0
156.13834	100.0
157.06856	0.8
157.14188	1.1
158.99660	2.2
163.04338	1.4
163.25063	0.6
164.05182	1.2
165.04367	0.5
177.00650	3.0
187.04489	0.7
193.04214	0.5
202.04874	0.8
219.01736	1.2
226.06024	0.8
227.06726	0.7
227.56929	1.2
228.06506	1.2
237.02797	2.0
275.06287	0.6
305.36557	0.6
309.08762	1.3
310.08899	0.7
318.19095	50.8
319.13513	0.8
319.19315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05508	1.2
57.03422	1.5
61.02917	0.9
67.05503	1.1
69.03427	3.9
69.07064	2.6
69.69511	1.1
69.69923	2.6
70.06578	1.6
71.04971	1.5
72.14639	0.5
73.02882	0.6
79.05489	0.9
81.03410	1.8
81.07040	1.3
82.06554	1.2
83.04980	0.6
84.08138	0.5
85.02903	6.8
86.09686	1.1
87.04449	0.6
91.05471	0.8
91.59473	0.5
93.07020	1.7
95.04969	0.6
95.08595	2.6
96.04488	3.6
96.08128	3.5
97.02886	2.8
97.05261	2.6
97.06518	1.6
98.06026	0.8
98.09727	0.6
98.20780	0.9
99.04451	1.0
100.07592	1.0
105.07019	0.5
108.08092	0.7
109.02882	1.1
109.06496	1.0
110.06039	8.0
110.09673	3.9
111.08095	0.8
120.08094	0.9
121.06480	1.5
123.06808	0.5
125.08353	0.9
126.09156	10.4
127.03888	1.5
130.06526	1.2
137.02348	1.4
138.09132	23.8
139.07481	1.5
145.04971	1.0
152.10611	0.7
152.44328	0.5
155.08081	0.5
156.10191	100.0
157.07578	1.0
157.10530	0.8
158.06023	0.9
167.08200	0.6
168.10179	1.2
169.01366	0.5
175.08682	1.6
180.10187	0.6
198.11197	1.1
199.03874	0.5
237.09119	0.6
245.04681	0.7
264.23148	0.6
273.03925	1.1
282.07352	0.5
282.24277	1.8
300.13458	2.3
300.25351	0.9
301.03427	0.7
301.11780	0.8
305.33331	0.5
318.03571	2.3
318.15399	0.8
318.26419	4.2
319.04465	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03926	1.8
53.99281	1.3
55.01873	3.2
55.05508	10.4
57.07068	10.4
58.78497	1.2
59.04992	4.5
61.55472	1.5
65.03930	2.1
67.05501	35.9
67.85926	1.5
69.03436	4.5
69.07067	5.9
69.35784	1.6
70.06590	19.5
70.88038	3.5
71.08634	3.2
79.05495	9.9
81.07053	25.0
83.04999	2.0
83.08601	2.8
85.10120	1.9
87.04478	8.9
88.04826	1.7
88.07632	25.6
91.05477	12.8
93.07034	15.0
95.04964	20.2
95.08604	16.8
97.06549	4.3
102.09180	17.5
105.07027	11.5
107.04940	3.2
107.08588	28.8
109.06524	12.0
109.10154	65.4
110.10490	1.9
117.07030	5.5
119.08575	44.9
121.06494	3.4
121.10156	4.9
123.08069	18.7
125.06001	1.8
128.06244	2.8
129.06946	1.7
131.08540	7.4
133.06479	3.4
133.10139	7.9
135.08037	8.9
135.11728	1.6
137.05910	1.8
137.09608	51.5
143.08559	3.8
145.10103	4.7
147.08089	2.7
147.11688	5.1
149.05984	3.2
149.09621	4.8
151.07539	38.7
153.05475	3.4
155.08595	2.0
157.10156	2.6
159.08081	1.8
159.11713	4.6
161.09627	5.5
163.03847	3.4
163.07558	6.4
163.11176	4.5
164.50946	1.5
165.09113	4.2
167.07057	4.3
171.11681	5.0
173.09647	1.8
175.11104	1.9
177.09081	3.1
181.04875	1.8
181.08620	4.9
181.12155	2.0
183.11693	2.3
189.12743	19.4
191.14322	1.6
199.11099	1.7
201.12764	1.6
203.14253	2.1
207.13774	16.9
212.23781	2.6
214.87636	1.5
215.14381	2.8
217.12143	1.7
221.15407	3.2
237.14854	4.8
243.13855	3.8
256.26343	42.3
257.26767	3.5
261.14850	3.5
270.40811	1.5
281.19016	2.1
287.20096	1.5
295.12244	3.0
298.80667	1.6
299.20117	5.7
305.57214	1.4
317.17349	2.9
317.21054	37.7
317.24374	1.4
317.28683	9.6
318.30008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01867	1.2
55.05504	1.0
56.05022	0.6
56.96560	3.7
57.03436	1.8
58.06603	0.4
61.02929	2.8
61.71824	0.3
67.05534	0.4
68.05006	0.4
69.03075	0.6
69.03429	8.2
69.07066	0.8
70.06595	4.5
71.04990	1.0
71.57001	0.4
71.57382	0.5
72.08153	1.2
73.02909	2.1
73.50896	0.3
74.32420	0.3
79.05495	0.5
81.03411	2.3
81.07059	1.4
82.06574	1.2
84.04501	1.2
84.08140	3.7
85.02906	10.4
85.06493	0.4
85.08494	0.5
86.09688	2.6
87.04470	1.0
87.10043	0.4
91.03945	0.6
93.02085	0.4
93.07040	1.0
95.08624	0.6
96.08097	0.7
97.02889	5.7
97.06520	4.0
98.97581	4.1
99.04435	1.5
102.97050	0.4
107.04935	2.2
109.02868	1.5
110.06042	7.5
110.09676	1.6
111.04411	0.4
116.07111	0.7
116.98627	3.7
119.01884	1.1
120.53129	0.4
121.06506	1.4
127.03924	1.9
128.98592	1.0
129.10242	1.1
130.08618	0.6
133.01685	0.4
134.99664	2.3
135.04369	0.5
136.07588	0.7
137.05981	0.5
137.07892	0.4
138.05498	100.0
138.12769	9.9
139.05824	1.0
141.06555	0.4
145.04948	0.7
146.99625	1.3
147.03172	0.5
147.04387	0.6
149.01225	1.1
149.06000	1.1
149.84825	0.4
152.05695	1.7
153.06464	2.8
154.03870	2.0
154.08620	0.4
155.04659	0.7
156.03810	2.0
156.06552	38.6
156.10229	1.3
156.13835	57.3
157.04736	0.6
158.99605	1.2
161.01218	1.1
161.02788	0.4
163.04222	0.8
164.05231	0.6
165.00699	1.0
167.02299	0.5
174.00789	0.8
177.00729	2.4
179.08124	0.7
183.11220	0.4
189.00739	0.5
191.03946	0.5
195.01729	0.5
202.04980	0.9
211.02771	0.5
217.01929	0.5
217.05508	0.4
219.01779	0.8
221.05109	0.7
226.05917	0.5
227.56879	0.4
228.05901	0.8
237.02779	1.7
237.06470	0.7
265.06534	0.5
285.10565	1.1
293.05386	0.4
309.08652	1.3
318.11890	1.3
318.19070	23.8
319.13538	1.3
321.54297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39782	0.5
55.05513	3.0
57.07076	12.3
58.06601	2.5
59.05003	0.5
65.03937	0.5
65.75313	0.5
67.05496	7.9
68.05028	0.6
68.48014	0.5
69.03410	0.7
69.07056	1.3
70.06590	23.6
71.08628	3.4
71.57906	0.7
72.08132	0.5
78.86751	0.4
79.05478	1.8
81.07064	4.7
83.04982	0.8
83.08602	0.9
85.10149	0.9
86.09724	0.5
88.07628	27.9
91.05484	3.1
93.07034	2.7
95.04955	3.6
95.08606	3.1
97.06541	0.9
102.09178	17.0
105.07020	2.3
107.04915	0.6
107.08590	5.7
107.96751	0.5
109.06504	1.9
109.09470	0.7
109.10148	9.3
117.06972	0.9
119.08576	7.9
119.28380	0.5
121.06465	1.2
121.10136	1.6
123.08086	3.6
125.09599	0.8
129.06998	0.8
131.08572	1.2
132.10172	1.2
133.06496	0.9
133.10095	2.2
135.04372	0.6
135.08018	1.8
135.11678	0.8
137.09599	7.7
138.09834	0.6
143.08614	0.6
145.10091	1.8
146.11804	1.2
147.08018	0.8
147.11673	0.8
149.05933	1.5
149.09630	1.4
150.11272	1.0
151.07541	8.3
153.05457	0.6
157.10077	0.8
159.08080	0.6
159.11688	1.6
161.09659	1.3
161.13281	0.8
163.03894	1.3
163.07533	1.7
163.11206	1.0
165.09134	0.5
167.07072	1.2
173.09688	0.7
173.13222	0.8
175.11192	0.7
177.09055	0.6
181.08560	1.3
183.11739	0.7
189.12735	4.1
198.46646	0.5
207.13774	4.2
212.23795	2.0
219.13550	0.5
221.15398	1.0
225.77777	0.6
236.92130	0.6
237.14835	1.0
243.13734	1.1
256.26349	50.9
261.14664	0.6
299.09113	0.6
299.20087	1.5
300.28934	3.2
317.10541	0.8
317.17343	1.3
317.20877	7.8
317.23981	0.6
318.30014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1381
Annotation	4-Hydroxy-5,7,4'-trimethoxyflavan
Peak:m/z	Relative Intensity
53.03941	1.0
54.15654	0.8
55.01865	1.4
55.05489	1.3
67.05489	2.8
68.99792	1.0
69.03414	1.5
69.07060	2.2
71.31272	1.8
71.31646	1.7
74.83962	0.9
78.00089	0.8
79.05490	6.7
81.07037	2.6
91.05475	3.8
93.07019	2.8
95.04967	3.2
95.08598	3.0
95.37808	0.9
97.02881	1.4
103.05478	4.5
105.07023	17.5
107.04932	1.3
107.08575	2.5
109.06467	0.9
109.10168	1.8
117.07040	1.2
119.08579	2.7
121.06487	2.5
121.10135	1.1
123.04413	4.0
123.08058	1.3
128.06189	1.2
131.04936	2.7
131.08507	1.3
133.06490	6.5
133.10150	1.8
135.04405	1.8
135.08051	2.4
137.05954	1.7
143.08569	1.7
145.06451	1.3
147.04353	1.4
147.11630	1.0
148.05116	1.9
149.05933	4.2
151.07507	1.3
157.10088	1.3
159.08015	1.8
159.11728	1.4
159.37062	0.8
163.03905	4.5
163.07530	100.0
164.07881	1.6
167.07053	1.3
173.09566	0.9
174.06764	1.5
177.09102	1.1
181.04988	3.8
181.08577	66.4
189.09109	2.1
212.95148	0.8
267.10034	1.3
284.10370	1.3
284.73392	0.9
299.09888	1.4
299.12753	36.1
299.19861	1.5
317.17520	1.5
317.21103	1.9
317.24680	1.0
320.16150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1382
Annotation	4-Hydroxy-5,7,4'-trimethoxyflavan
Peak:m/z	Relative Intensity
53.03951	1.8
55.01860	2.6
66.68240	1.8
67.05470	2.7
68.99782	5.9
69.03427	2.8
69.07063	2.8
69.50346	11.6
74.90377	1.6
79.05492	14.7
81.03423	4.6
81.07061	7.8
84.44067	1.5
88.09499	1.4
91.05476	7.5
93.07056	8.2
95.04976	5.9
95.08595	4.3
103.05466	8.2
105.07021	21.2
107.04953	2.4
107.08601	5.3
109.06498	2.4
109.10152	3.3
115.05482	2.2
117.07029	1.6
119.08578	3.7
121.02887	2.1
121.06489	8.0
121.10159	2.3
123.04427	4.8
130.02072	1.5
131.04942	3.1
131.08545	2.3
133.06519	7.3
133.10158	3.4
135.04356	1.9
137.05972	2.7
143.08586	2.2
145.10162	1.6
147.08064	2.0
149.05971	19.8
157.06580	2.2
157.10049	1.6
159.07982	2.8
159.11681	1.8
161.05978	4.8
161.09584	5.5
163.03909	17.8
163.07536	100.0
164.07852	1.7
167.07008	6.3
181.04993	12.2
181.08592	78.7
187.14815	1.6
189.09151	4.3
197.06087	1.8
281.11673	2.5
299.09396	3.1
299.12772	42.7
308.62741	1.5
317.06104	1.8
317.13831	3.9
317.21042	3.8
317.24634	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	4-Hydroxy-5,7,4'-trimethoxyflavan
Peak:m/z	Relative Intensity
53.03940	0.7
55.01868	1.2
55.05502	1.2
57.03423	0.5
60.72009	0.4
67.05499	1.6
68.99798	1.3
69.03435	1.4
69.07066	1.2
71.13216	0.8
79.05492	5.8
81.03413	0.5
81.07053	3.9
84.53976	0.4
91.05469	3.9
93.07046	2.6
95.04952	2.3
95.08607	2.1
97.02879	0.6
97.06503	0.4
103.05458	5.2
105.07027	18.0
107.04936	1.2
107.08576	2.1
109.02904	0.7
109.06535	1.4
109.10147	1.4
115.05443	1.8
117.07037	1.4
119.08585	1.6
120.05717	0.7
121.06516	1.9
121.10132	1.6
121.17891	0.4
122.42071	0.4
123.04445	5.2
123.08083	1.3
123.11684	0.7
128.06174	0.6
129.06999	1.0
131.04906	2.8
131.08578	1.6
133.06487	7.3
133.10100	1.1
134.99780	0.4
135.04398	1.8
135.08046	2.0
135.11731	0.4
137.05998	1.2
139.49364	0.5
141.06996	1.3
142.07817	0.7
143.08589	0.4
144.05800	0.4
145.06464	1.5
145.10052	0.8
146.56165	0.4
147.04396	1.0
147.11652	0.5
148.05203	0.7
149.05971	3.1
149.09613	0.8
151.07552	0.9
155.08499	0.6
157.06517	1.0
157.10167	0.6
159.08041	1.5
159.11710	0.8
160.08876	0.6
161.05922	0.7
161.09613	0.8
163.03931	2.1
163.07538	100.0
164.07884	1.6
165.06996	0.5
169.10158	0.5
171.11641	0.5
173.13287	0.5
174.06847	0.7
175.07562	1.5
175.11087	0.5
177.09047	1.2
179.08609	0.4
180.06541	0.6
181.05069	1.4
181.08588	72.2
182.08943	1.1
187.14841	0.6
189.09122	1.7
190.09908	0.9
202.09525	0.4
207.10120	0.8
236.59581	0.4
239.10513	0.6
249.09085	0.5
267.10095	1.8
281.11768	0.9
284.10446	1.0
299.12775	39.6
299.19861	1.1
300.13168	0.9
317.06583	0.7
317.13782	1.4
317.17456	0.5
317.21191	2.1
317.24496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	(3R)-2'-Hydroxy-7,3',4'-trimethoxyisoflavan
Peak:m/z	Relative Intensity
53.03929	1.1
55.01860	1.4
55.05501	2.8
65.03902	0.9
67.05506	4.7
68.99784	1.8
69.03123	0.7
69.03439	6.8
69.07054	2.8
70.11051	3.0
71.04961	1.3
77.50317	0.8
79.05485	10.4
81.03420	1.9
81.07049	7.5
83.04975	1.5
85.02885	1.3
85.06545	1.0
89.03905	1.2
89.88761	0.8
91.05479	6.7
92.02033	0.7
93.07040	6.7
95.04974	4.5
95.08604	6.2
97.06509	1.7
99.04424	1.1
103.05479	4.0
105.07029	13.6
106.91748	0.9
107.04961	5.7
107.08576	5.7
109.02888	1.3
109.06528	2.6
109.10168	4.3
109.29774	0.8
111.08083	1.2
115.05454	1.5
117.06999	1.8
119.08571	5.9
121.02892	0.9
121.06529	2.7
121.10133	3.9
123.04423	3.7
123.08058	1.8
123.11750	1.2
125.05950	0.8
125.09634	0.9
128.06190	1.2
129.06972	2.7
131.04907	2.5
131.08591	3.5
133.06508	4.4
133.10118	2.7
135.04439	1.8
135.08023	2.9
135.11668	2.6
136.81905	1.0
137.05945	1.2
137.09660	1.5
141.07030	1.7
143.08565	1.5
145.02850	1.9
145.06509	1.4
145.10127	4.5
147.04469	1.1
147.11679	3.2
149.06000	5.8
149.09621	2.8
151.07671	0.9
155.08577	1.4
157.06465	1.3
157.10143	1.8
158.06003	1.4
159.08086	1.9
159.11729	1.9
161.05881	1.3
161.09579	1.9
161.13248	1.3
163.03902	100.0
163.07538	52.7
164.04257	1.6
165.09102	1.8
167.07071	3.1
169.10170	1.2
171.04402	1.0
173.13162	1.4
175.07518	1.8
175.11131	1.6
177.08986	1.2
179.03470	1.1
181.04959	73.7
181.08559	35.6
181.10199	1.7
183.08150	1.0
185.05945	7.1
187.07535	2.4
187.14795	1.1
193.10159	0.9
199.07550	1.0
201.05475	1.8
201.09065	1.1
201.16457	1.1
203.18129	0.9
211.07466	0.9
223.07585	1.0
225.76604	1.0
229.04897	1.2
239.07106	1.9
253.08586	1.0
257.04410	11.1
263.43399	0.9
271.20319	0.9
281.08090	10.0
299.09155	9.5
299.12750	20.6
299.19971	2.4
317.06714	1.3
317.10291	3.5
317.14468	2.2
317.20844	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1382
Annotation	4-Hydroxy-5,7,4'-trimethoxyflavan
Peak:m/z	Relative Intensity
50.70364	1.0
53.03959	1.1
62.78223	1.1
70.26041	1.0
70.61402	2.9
79.05481	5.4
81.07043	2.0
90.78316	0.9
91.05481	2.7
93.07031	1.0
95.04952	2.2
95.08598	1.4
102.69638	1.1
103.05468	5.6
105.07021	17.4
107.04987	1.4
107.08561	1.1
109.06495	1.1
115.05452	1.3
117.07027	1.7
121.06490	1.5
123.04422	4.6
131.04919	2.5
133.06485	4.8
135.04437	1.6
135.08044	1.2
137.05928	1.8
145.06490	0.9
147.04404	1.4
147.35507	1.0
147.69286	1.2
147.88907	1.0
148.05173	1.6
149.06000	4.5
157.06555	1.6
159.08054	1.4
161.05989	1.1
163.07541	100.0
164.07887	1.7
167.06961	1.0
175.07509	1.2
177.09204	1.4
181.08594	77.1
225.75154	0.9
267.10144	2.5
299.09271	1.7
299.12781	35.7
317.13931	1.1
317.17477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
57.03434	1.7
67.05506	2.3
69.03422	33.9
69.07061	100.0
70.04895	5.0
71.04979	3.4
79.05463	2.3
81.03410	12.7
82.35989	1.4
84.08134	6.5
85.02900	10.9
86.09675	1.9
87.08115	8.9
91.05456	2.3
95.04982	1.8
97.02896	8.7
99.04448	10.3
103.97829	1.4
109.02873	4.8
110.06077	2.4
111.04448	1.9
115.07555	17.4
126.09176	2.4
127.03880	7.7
129.10216	2.6
131.08606	1.9
138.09108	7.2
143.03395	9.3
145.05020	2.1
156.10179	29.5
163.03918	2.1
187.03993	1.9
189.03897	2.9
203.05562	2.1
213.03951	5.3
231.05020	3.7
254.00035	1.6
287.49716	1.5
289.03485	3.8
299.11057	4.3
302.89902	1.4
317.02844	6.9
317.11920	4.8
318.03381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1381
Annotation	4-Hydroxy-5,7,4'-trimethoxyflavan
Peak:m/z	Relative Intensity
62.35286	0.9
68.99793	0.8
69.03426	0.8
69.44218	7.4
79.05492	3.9
81.07058	1.4
87.87789	0.8
91.05482	2.6
93.06992	0.8
95.04979	1.9
103.05473	6.6
105.07022	14.9
109.06559	0.7
115.05437	1.4
121.06461	1.5
123.04449	5.6
131.04921	3.6
133.06506	5.7
135.04414	1.0
135.08051	2.5
141.06938	1.7
148.05191	1.3
149.05962	2.6
151.07625	0.9
159.08034	1.1
163.03911	4.9
163.07538	100.0
175.07549	0.9
181.05150	4.0
181.08592	75.2
182.08983	1.1
189.08995	0.9
190.09767	0.9
203.61078	0.7
207.09824	0.7
243.12354	0.8
267.10083	1.5
281.11563	1.5
299.12772	41.3
300.13153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66219	20.8
70.01411	39.3
70.01825	69.2
74.67431	18.8
79.75975	18.6
81.15574	17.4
98.21464	42.0
112.89600	100.0
156.03719	33.9
164.93530	24.5
166.93262	26.1
168.97656	19.2
174.89679	23.6
228.05791	42.6
317.22141	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01866	1.7
57.03449	1.7
59.17933	0.9
66.99186	1.0
67.05496	2.8
68.90345	1.0
68.99811	1.9
69.03430	31.7
69.07068	100.0
69.87035	5.6
70.06596	2.2
71.04974	2.5
73.91243	1.2
79.05509	1.2
81.03046	1.2
81.03424	12.2
81.07038	2.4
84.08130	3.4
85.02908	10.1
86.09713	1.9
87.00828	1.7
87.08102	7.2
91.05468	2.6
95.08604	1.3
97.02895	8.8
98.97555	1.1
99.04455	10.3
101.02356	1.1
105.07014	1.7
109.02879	4.4
109.06544	1.9
111.04448	1.8
112.32133	1.0
115.07573	20.4
120.07998	1.0
126.09137	1.8
127.03914	9.7
131.08485	1.4
137.05998	1.5
138.09148	3.3
143.03384	9.5
145.04938	3.8
145.10155	1.4
146.18665	1.0
153.45978	1.1
156.10181	15.3
161.24014	1.0
165.49020	1.1
189.03967	4.3
189.09320	1.3
195.10207	2.1
203.05513	2.9
213.03896	3.7
213.11264	1.8
219.52357	1.1
231.05089	4.8
271.10779	2.3
287.10034	1.2
289.03360	1.4
299.06110	1.0
299.11169	4.8
299.23328	1.0
309.19492	1.1
317.03012	2.4
317.11682	5.3
317.15250	1.9
317.25052	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Teucrol
Peak:m/z	Relative Intensity
53.03933	0.8
55.01847	0.4
55.05495	0.5
56.96548	0.3
65.01822	0.3
65.03932	0.6
65.73847	0.3
67.05481	0.7
68.99794	0.5
69.03426	5.5
70.85404	0.8
71.04975	0.3
77.03938	0.5
79.05486	4.5
81.03415	0.5
81.07042	1.1
84.08146	0.3
85.02891	0.7
89.03914	1.0
91.05465	1.0
93.07029	0.7
95.01304	0.7
95.04957	1.7
95.08589	0.8
97.02909	0.5
97.06521	0.5
98.97574	0.4
105.07023	1.3
107.04952	3.6
107.08558	0.8
109.02833	0.7
109.06503	0.6
109.10124	0.8
111.04453	0.5
111.08047	0.4
115.05474	0.4
117.03348	0.5
119.04969	0.4
119.08557	0.8
121.02843	0.4
121.06516	0.2
123.04443	0.6
131.08534	0.5
132.51868	0.3
133.02847	0.7
133.06467	0.4
133.10120	0.6
135.04398	1.4
135.08028	0.3
137.05940	0.8
145.02858	2.2
145.10123	0.8
147.04393	0.6
147.11659	0.4
149.05917	0.3
153.01772	0.3
157.10089	0.4
159.11641	0.4
161.05974	0.5
162.10143	0.2
163.03886	100.0
164.04239	2.6
181.04939	72.7
182.05298	1.7
185.05872	0.4
191.03310	0.5
207.08086	0.3
213.05455	0.6
215.03433	0.3
225.09113	0.4
239.07120	0.5
239.10509	0.3
245.07813	0.3
261.03958	0.5
281.08057	7.7
289.03091	0.4
299.09134	5.5
317.02811	0.7
317.10406	1.3
317.14401	0.6
317.20984	0.8
317.28488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
50.08956	0.2
51.02369	0.3
53.03951	0.6
55.01883	0.4
55.05508	0.6
57.03435	0.4
57.19825	0.3
64.88390	0.3
65.03956	0.4
67.05496	1.4
69.03426	4.2
69.07056	0.4
69.34841	2.5
70.06568	0.4
74.06075	0.4
77.03941	0.4
79.05489	4.6
81.07060	1.3
82.07380	0.2
89.03918	1.1
91.05473	0.9
93.07037	0.7
95.01318	0.5
95.04969	1.2
95.08606	1.2
95.50121	0.2
96.08152	0.2
96.08912	0.4
98.20721	0.5
105.07034	0.5
107.04955	2.9
107.08579	0.8
109.10157	0.5
110.28971	0.3
119.08571	0.4
121.10137	0.4
131.08528	0.3
135.04430	1.2
135.11650	0.4
145.02843	2.0
147.11674	0.3
155.08467	0.3
163.03897	100.0
164.04231	1.7
167.08456	0.3
168.38733	0.3
181.04948	71.1
182.05260	1.4
239.07016	0.6
251.25589	0.3
257.08075	0.3
263.25415	0.3
280.26334	0.7
281.08084	7.6
281.26675	2.0
282.08359	0.4
298.27252	0.4
299.09113	7.0
299.12427	0.5
299.27750	1.6
316.28531	1.4
317.06583	0.5
317.10135	1.1
317.21155	0.5
317.25449	0.3
317.28802	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
50.04674	0.5
52.46770	0.5
53.03934	0.9
53.37265	0.4
54.88866	0.5
55.01876	0.7
55.05508	1.1
65.03922	0.6
67.05505	1.4
68.38274	0.5
69.03425	4.4
69.07068	1.0
69.39588	5.0
70.06594	0.9
71.05011	0.8
77.03951	0.5
79.05492	5.8
81.03423	0.9
81.07059	2.4
84.04501	0.6
84.08160	0.8
85.02920	0.8
86.09708	3.8
87.10052	1.0
89.03925	0.7
91.05468	3.4
92.18592	0.7
93.07041	1.8
95.04970	3.3
95.08632	1.7
97.02876	0.7
97.06546	1.1
105.07018	1.9
107.04959	3.2
107.08608	1.1
109.02867	1.0
109.06537	1.0
109.10117	0.8
117.03432	0.5
117.07030	1.0
119.04969	0.8
119.08608	1.1
121.06503	0.9
121.10163	0.9
123.04391	1.2
129.07024	1.5
131.08568	1.2
133.10081	1.0
135.04417	1.6
137.05946	3.8
143.08630	1.0
145.02885	1.8
145.10097	1.3
147.04436	1.0
147.08018	1.1
149.05978	1.4
151.07561	1.6
157.06471	0.5
157.13397	0.6
159.11699	0.8
163.03902	100.0
164.04250	1.9
165.06950	0.7
165.35771	0.5
173.13202	0.6
175.07536	1.1
176.36330	0.5
178.07762	0.8
181.04955	80.2
182.05333	1.2
185.13208	0.6
189.05544	1.0
199.14639	0.7
211.07582	0.9
213.05453	0.9
239.06854	1.1
257.11926	0.5
257.19122	0.7
271.10016	1.6
281.08078	7.4
299.09195	6.4
299.12766	0.9
299.20087	0.7
307.84180	0.6
317.06564	1.5
317.10986	2.3
317.14655	1.2
317.21161	2.0
317.25006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88803	5.1
55.01869	9.4
55.05497	5.6
56.96569	26.8
57.03429	6.2
61.02915	8.9
69.03411	22.4
69.59843	28.0
69.60265	9.3
72.08141	6.0
73.02901	16.4
81.03426	11.1
84.04488	6.9
84.08121	18.5
85.02906	33.7
86.09680	9.1
97.02889	39.5
98.97587	26.0
105.25515	5.1
109.02837	9.6
116.39662	5.5
116.98618	7.1
119.01884	27.9
127.03949	10.8
128.02335	9.2
128.98586	6.8
129.10229	14.5
131.00166	12.8
134.99538	5.8
138.05466	9.7
143.01726	5.8
145.04947	6.8
147.03104	18.1
149.01236	38.0
154.94135	6.8
155.01793	6.2
155.04591	10.3
156.03615	100.0
156.13785	5.2
157.03450	8.8
158.99603	10.4
161.02948	12.1
164.05196	8.7
167.02243	19.4
167.54395	6.0
172.95255	17.3
173.02957	6.0
173.06726	6.2
175.04535	10.9
177.00749	11.8
189.06050	7.6
190.96245	8.9
203.02295	5.5
203.04178	4.8
214.96243	7.3
215.07736	6.6
219.01794	9.3
221.03127	5.7
227.06796	15.0
228.05682	47.7
236.07156	5.8
237.02910	12.5
237.06233	19.8
293.05362	12.6
311.06525	13.5
317.09659	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Teucrol
Peak:m/z	Relative Intensity
53.03926	0.9
55.01847	0.4
55.05488	1.1
57.03451	0.4
58.50995	0.3
61.61061	0.3
65.03928	1.5
67.05507	2.1
68.99786	0.6
69.03428	5.3
69.07042	1.1
71.04977	0.5
71.06914	0.3
71.41770	0.7
71.42116	0.4
77.03917	0.5
79.05499	5.6
81.03390	0.7
81.07055	2.3
85.06534	0.7
89.03894	1.4
91.05463	1.5
92.02601	1.1
93.03388	1.3
93.07051	1.7
95.01320	0.6
95.04983	1.9
95.08614	2.3
97.06538	0.4
103.05427	0.5
105.07015	1.6
107.04321	0.4
107.04948	2.9
107.08575	1.5
109.02860	0.6
109.06509	0.4
109.10127	1.4
109.57877	0.4
111.04428	0.4
119.08559	1.2
121.02854	0.7
121.06493	0.5
121.10137	0.7
123.04406	1.6
128.57375	0.4
129.07042	0.4
131.08519	0.6
133.10127	0.8
135.04431	1.2
135.11662	0.9
139.75923	0.3
145.02837	1.9
145.06386	0.4
145.10165	0.9
147.04385	0.9
149.13297	0.5
153.01807	6.1
157.06474	0.4
157.10153	0.4
161.09598	0.4
163.03899	100.0
164.04243	1.9
165.01961	0.4
179.03398	1.4
181.04950	77.4
182.05325	1.4
189.05424	1.1
197.04350	0.9
201.05513	0.8
203.03410	0.7
207.06429	0.4
213.05351	0.4
217.04956	1.3
221.52855	0.4
228.04179	1.8
229.04953	2.7
244.10036	0.4
245.04480	1.6
246.05223	1.0
257.04413	1.7
260.03134	0.4
273.03934	1.1
274.04703	3.1
281.08063	6.6
281.26886	0.5
284.03247	0.4
285.03891	2.9
299.09094	6.5
299.27704	0.6
302.04218	7.9
303.04367	0.4
316.28391	0.7
317.06567	34.1
317.21274	1.6
317.28906	1.8
318.06998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06217	0.7
52.49216	0.7
54.51396	0.7
55.05511	6.0
56.05048	4.2
57.07073	2.2
60.04523	100.0
67.05505	7.0
69.07054	5.3
70.03799	2.9
70.06590	0.8
71.08622	0.8
72.04511	1.7
74.06074	3.1
79.05492	4.2
81.07048	8.2
82.06597	1.8
83.04966	0.8
83.08608	3.8
90.05548	1.8
91.05472	3.5
93.07048	2.8
94.06598	1.0
95.08598	7.1
97.06549	0.8
97.10165	2.5
98.21488	0.8
105.07021	1.7
107.08595	2.8
109.10158	2.5
112.07590	0.7
119.08594	1.2
121.10161	2.0
123.11711	1.1
124.06812	0.6
133.10109	1.4
136.11238	0.9
179.12486	0.7
214.43559	0.8
233.22673	0.8
262.25363	1.4
268.26151	0.8
280.26331	10.7
293.03067	0.9
298.27432	11.5
316.22607	1.7
316.28424	26.6
317.28867	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03954	0.7
55.05513	6.1
55.16196	0.6
56.05032	4.8
57.07072	3.0
60.04524	100.0
61.04867	0.9
62.72117	0.7
67.05500	8.6
69.07065	6.2
69.91727	2.3
69.92145	1.6
70.06602	1.1
71.08621	1.0
72.04513	2.3
74.06078	2.5
79.05499	4.4
80.05008	0.8
81.07049	8.9
82.06576	1.5
83.08652	3.4
86.06073	0.9
90.05563	1.0
91.05483	2.6
93.07040	4.2
95.04989	0.8
95.08596	6.9
97.10175	2.0
98.21416	1.2
100.07607	0.8
105.07016	1.5
107.08602	1.3
109.10160	2.3
111.11681	0.8
119.08592	1.6
121.10172	1.4
123.11710	1.1
133.10162	1.0
135.11667	1.2
140.81979	0.7
147.11687	0.9
245.22679	0.9
250.25381	0.9
262.25323	2.2
268.26340	1.1
280.26367	12.4
298.27371	12.7
316.28458	25.2
334.23938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03931	0.9
55.05301	0.3
55.05507	2.9
56.05030	1.7
57.03433	0.6
57.61330	0.3
58.06589	0.7
63.02351	0.4
65.03922	0.9
66.45011	0.3
67.05502	8.1
68.05828	0.3
69.03428	4.3
69.07075	2.3
69.97993	1.4
69.98418	0.5
70.06588	4.9
71.04983	0.7
72.08134	1.0
74.06085	2.5
74.90778	0.3
77.03934	0.5
79.05490	6.4
81.03394	0.6
81.06591	0.4
81.07056	8.1
82.06602	0.3
83.08603	1.3
84.08138	3.0
89.03890	1.0
91.05478	1.6
93.07045	3.5
94.87215	0.3
95.01292	0.3
95.04951	2.1
95.08058	0.5
95.08607	6.6
96.08138	1.8
97.08927	0.4
97.10139	0.4
97.48311	0.3
98.09678	2.4
98.21452	0.6
105.07001	0.5
107.04946	2.9
107.08601	1.6
108.08114	0.4
109.10143	1.9
110.09679	0.5
112.11231	0.4
113.50572	0.3
119.08557	0.6
121.10126	1.0
123.11736	0.4
124.11281	0.5
133.10143	0.4
135.04393	0.9
135.11736	0.6
145.02817	1.9
147.04385	0.3
161.13438	0.5
163.03896	100.0
175.00089	0.3
181.04948	70.3
215.14548	0.3
225.90102	0.3
239.06993	0.9
250.25302	1.4
252.23238	0.8
262.25250	3.1
263.07086	0.5
280.26343	19.8
281.08066	7.8
281.26685	1.2
298.11499	0.8
298.27393	13.1
299.09131	6.8
299.27548	0.9
308.58734	0.3
316.28439	55.7
317.06662	0.6
317.10150	1.0
317.28760	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03947	0.7
53.22210	0.5
55.05273	0.5
55.05515	7.1
56.05033	2.6
56.96552	2.2
57.03436	0.8
58.06590	1.7
65.16452	0.5
67.05506	14.8
69.03427	1.2
69.07072	4.4
69.97884	2.8
70.06586	8.0
71.04989	2.5
72.08141	1.8
74.06074	4.4
79.05497	6.2
81.03410	0.9
81.07057	16.6
82.06591	0.8
83.08599	2.0
84.08134	4.2
85.02891	2.4
85.06557	0.6
86.09727	0.8
91.05492	3.1
93.07040	6.3
95.04977	1.0
95.08605	10.2
96.08142	3.3
97.02892	1.2
97.08876	0.6
97.10138	0.5
98.09685	4.6
98.97575	1.6
105.07021	2.0
107.08592	3.7
108.08153	0.8
109.02873	1.0
109.10162	3.7
110.09669	1.8
114.09142	1.0
119.08583	0.9
121.06454	0.6
121.10154	1.9
122.09621	0.8
131.08540	0.7
133.10149	1.1
135.08009	0.5
135.11653	0.7
138.12735	0.7
147.11674	0.6
149.05991	1.8
152.14305	1.1
153.01833	0.6
159.11763	0.6
165.73491	0.6
167.07080	0.8
200.12799	0.7
250.25293	1.8
252.23254	1.5
262.25314	7.6
280.26358	35.1
281.26804	0.6
287.05582	1.5
298.27374	22.1
299.27628	0.9
303.04999	0.8
304.05231	1.0
316.09207	1.1
316.28452	100.0
317.06467	0.5
317.10986	1.1
317.28738	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13010	0.5
51.51457	0.6
53.03934	0.8
55.01858	1.6
55.05506	1.3
56.96559	6.3
57.03421	1.4
59.40387	0.6
60.77306	0.6
61.02910	1.9
67.05495	1.7
68.05025	51.4
69.03426	5.2
69.57922	4.9
70.02943	0.8
70.06586	7.0
70.98103	0.6
72.08156	1.0
73.02900	2.3
79.05467	1.3
80.05027	4.2
81.03403	2.1
81.07040	2.9
82.02913	1.0
83.04988	1.0
84.04501	2.2
84.08139	3.4
85.02895	8.3
86.09682	2.2
87.04471	0.8
89.03924	4.4
91.03992	0.7
91.05473	12.9
93.05772	1.8
93.07021	1.3
94.06563	1.7
95.04963	1.5
97.02896	5.8
98.97562	4.4
99.04457	1.4
103.21167	0.5
107.04965	1.5
107.12497	0.7
108.08108	17.8
109.02874	1.9
110.06009	0.8
112.07572	1.1
116.98611	4.6
117.03368	2.7
118.06520	4.1
119.01814	1.2
119.04929	1.3
124.07612	0.9
126.05515	1.2
127.03891	3.0
128.02299	1.1
128.98601	2.3
131.00122	0.7
134.06020	0.7
134.99663	3.3
135.04417	6.0
136.07568	100.0
137.05963	0.7
137.07950	1.4
138.05510	1.1
138.09132	1.6
143.00153	2.5
145.02859	2.8
145.04950	0.8
146.99649	2.7
149.01280	1.2
151.04834	0.7
152.05670	3.4
152.06862	0.7
154.05040	6.9
154.08620	76.9
155.04649	1.5
158.99687	1.7
159.04930	0.6
160.06340	0.7
161.01234	3.3
161.04880	0.8
163.02550	1.4
163.03893	22.8
164.04085	2.9
164.05447	0.7
165.00716	2.2
168.05370	2.5
169.13322	0.9
170.05180	0.7
170.99660	1.1
172.95195	0.8
177.00708	2.5
177.04364	0.7
177.05968	2.4
182.11821	1.1
184.04802	0.8
188.56757	0.9
189.00725	0.8
190.96252	0.7
191.05862	0.7
196.09760	0.9
196.22455	0.6
196.76091	0.7
203.02187	1.0
204.64694	0.7
208.46227	0.6
214.96391	0.6
219.01768	2.6
223.01248	0.8
227.06706	1.4
237.02817	2.7
249.02890	1.2
267.03891	2.4
277.84149	0.7
285.05051	1.1
295.07227	1.1
298.12875	1.7
309.08606	0.9
316.10175	1.6
316.13809	17.9
317.12027	1.8
335.10202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2683
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
55.05505	15.2
55.64259	3.7
57.07072	8.4
58.79602	3.3
67.05511	26.2
69.07069	18.7
71.08653	5.5
71.58503	3.1
71.59008	3.5
79.05489	9.0
81.07059	52.9
83.08626	8.2
85.06535	13.4
91.05486	11.9
92.06326	3.8
93.07034	25.5
95.08600	49.1
97.10139	4.7
100.30371	3.6
105.07024	29.4
107.08605	27.6
108.75717	3.3
109.10154	22.2
117.07007	8.7
119.08590	31.8
121.10160	21.5
123.11754	6.5
129.07013	4.4
130.07803	5.8
131.08609	28.6
133.10124	16.9
135.11664	9.2
142.07727	3.3
143.08498	4.2
144.09386	6.4
145.10114	53.7
147.11691	8.4
149.13277	20.3
157.10107	10.1
159.11690	100.0
161.13290	16.1
163.14825	6.6
171.11635	8.1
173.13235	21.0
175.14828	4.8
179.07222	3.5
181.12759	3.8
185.13313	3.7
187.14838	11.6
189.16336	7.3
199.14833	5.5
201.16394	12.2
203.17892	5.9
213.16461	7.5
215.17888	18.8
217.19505	9.3
227.99014	3.9
241.19398	4.4
278.19260	3.5
297.25732	22.4
299.32275	3.5
315.23102	6.2
315.26736	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1929
Annotation	E-64c
Peak:m/z	Relative Intensity
56.96554	4.0
58.23330	1.3
59.57457	1.5
67.05502	2.7
71.58150	3.0
79.05478	3.6
81.07018	1.8
86.39951	1.7
91.05475	3.9
93.07023	3.4
94.53503	1.6
107.08614	2.4
109.10107	1.6
119.08578	3.5
146.99677	2.1
179.07059	6.6
246.12219	2.6
315.19315	100.0
316.19531	3.1
316.32150	1.9
333.17447	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77685	1.5
55.05484	1.8
57.07064	5.1
62.06107	1.7
67.05488	2.1
69.07066	3.1
71.08631	2.6
71.33017	1.5
71.58376	2.8
76.97401	1.6
79.05449	1.8
80.08155	1.4
81.07037	4.2
86.10486	1.4
89.90519	1.8
91.05485	2.0
91.74699	1.7
92.84357	1.6
93.07017	2.6
101.13858	1.5
105.07013	2.5
107.08562	1.6
109.37093	1.7
121.10098	2.9
123.11810	1.7
131.08588	2.0
179.03514	2.3
179.07050	3.3
258.28033	2.4
259.28275	5.5
286.86453	1.6
314.34152	4.1
315.19321	100.0
315.30814	2.0
315.34485	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01862	8.1
55.05513	62.0
56.96568	8.6
57.03451	18.1
57.07083	42.4
60.62876	3.8
65.03938	3.5
67.05508	78.2
67.86141	3.6
69.06727	6.2
69.07076	89.8
70.32756	16.1
71.05004	4.3
71.08629	15.4
75.04511	3.8
79.05499	58.5
81.06585	5.0
81.07061	80.3
83.04985	4.9
83.08629	55.8
85.06594	4.0
85.10159	6.3
91.05464	12.5
92.55438	3.6
93.07050	61.6
95.04980	4.5
95.08617	54.7
97.06527	32.5
97.10171	27.5
103.03945	7.1
105.07014	5.6
107.08599	57.1
109.10178	40.7
109.62992	3.7
111.08067	10.0
111.11729	6.2
121.09314	7.6
121.10153	100.0
123.11681	28.9
125.09657	11.0
129.05496	9.1
135.11702	71.4
139.11172	4.7
139.51720	4.6
149.13252	28.5
153.01826	5.5
153.12737	7.1
163.14867	5.0
167.20512	4.5
174.81206	3.4
179.07042	15.7
187.11246	23.9
199.54294	3.9
205.19533	91.5
223.20587	39.7
241.21486	9.0
297.11035	3.8
297.24240	29.0
315.08670	5.2
315.16226	4.2
315.19653	8.9
316.32019	10.5
333.18634	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.4
53.96437	6.6
54.09963	7.1
55.01861	28.3
55.05512	52.8
55.66538	6.6
57.03436	38.3
59.05005	6.6
60.46912	7.8
61.02915	19.7
67.05481	33.6
69.03430	55.1
69.07052	29.4
70.06570	16.1
70.13544	28.0
71.01359	10.2
71.04989	88.5
72.08140	13.8
73.02899	22.6
79.05499	36.4
81.03391	23.1
81.07045	53.7
83.04944	9.7
84.08144	13.4
84.44351	6.6
85.02897	78.8
85.95817	5.9
86.09712	16.8
87.04454	10.9
91.05473	71.6
93.07060	66.3
95.04947	20.2
95.08614	38.5
97.02872	34.3
97.06512	15.0
103.03925	11.7
105.07025	100.0
107.04916	35.7
107.08586	73.0
109.02856	18.4
109.06490	33.5
109.10161	19.2
111.04422	10.4
111.08080	15.9
115.03902	10.3
117.07011	25.0
119.04954	7.8
119.08586	94.2
121.06444	10.6
121.10108	22.4
123.04378	9.0
123.08045	32.3
125.05920	10.7
125.09594	13.1
127.03873	7.9
128.06223	20.3
129.05482	14.6
129.06956	17.0
131.04892	9.6
131.08591	49.2
133.04921	22.0
133.06479	17.8
133.10118	16.2
135.08034	15.7
135.11674	22.0
137.05956	12.4
137.09615	16.2
143.08575	36.8
145.06477	10.6
145.10117	44.6
147.08031	73.2
147.11671	11.3
149.09596	11.0
151.07521	10.9
151.11162	27.0
153.05467	8.9
153.10152	13.2
153.12706	19.7
155.08531	15.7
159.08052	19.9
159.11670	16.7
161.09647	14.3
163.11159	25.0
165.06818	8.2
165.12798	51.6
171.07977	11.7
171.11713	11.9
173.09618	42.1
173.13210	20.9
175.07487	10.7
177.12746	29.1
179.08504	11.5
183.08026	49.8
183.11697	11.8
185.13287	7.9
189.09206	9.3
189.12732	29.5
191.10680	21.8
193.08583	8.4
195.08145	14.2
195.13716	6.7
201.12807	16.8
207.08015	41.4
211.07530	9.5
219.13818	8.7
231.13756	16.8
243.13657	8.8
253.08594	47.5
257.08038	25.9
261.14890	17.5
270.11136	29.6
279.15979	8.9
283.09711	12.0
283.64508	8.4
297.10919	9.0
297.17148	8.5
299.09116	11.0
299.19821	9.0
315.13785	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1225
Annotation	Perseal F
Peak:m/z	Relative Intensity
50.94720	1.0
54.35009	1.1
55.01875	1.7
67.05507	2.5
68.99773	1.1
69.07067	2.2
77.00911	5.0
79.05502	7.0
81.03413	1.3
81.07047	3.3
85.73108	1.0
91.05488	10.3
91.48512	0.9
93.07047	3.1
95.01958	5.1
95.04977	5.4
95.05484	0.9
95.08601	2.1
97.06561	1.1
97.60812	1.0
98.20804	2.5
103.05461	4.6
105.07028	16.4
107.04958	16.9
107.08588	2.2
109.06541	1.9
109.10192	1.2
115.05466	2.0
116.98608	1.1
117.07001	2.0
118.03464	0.9
119.04948	6.5
119.08584	2.3
121.06524	1.9
123.04437	26.7
123.08064	1.1
123.11712	1.1
128.06253	1.5
129.07024	2.4
131.04927	2.6
131.08525	1.1
133.06488	2.4
134.99612	1.1
135.04407	16.9
135.08060	2.8
137.02332	2.7
137.05978	4.1
137.25111	1.1
137.90297	1.1
144.05751	2.2
145.06496	2.2
145.10138	1.9
147.04416	20.3
147.08119	1.8
147.11617	1.1
149.05977	2.7
157.06528	1.4
159.08055	2.7
159.11742	1.8
161.05971	3.4
163.07549	100.0
165.25488	1.1
166.07767	2.1
173.06010	1.6
173.13202	1.3
175.07535	2.1
179.03401	1.9
179.07048	20.1
181.06569	1.2
181.08546	2.0
181.10098	1.1
187.07555	9.4
188.08302	1.2
197.05969	1.2
201.09566	1.8
205.08601	1.3
209.10034	1.0
211.07689	1.2
215.11192	1.5
219.10815	1.5
223.07512	1.6
227.10918	2.0
237.09134	2.1
239.07022	1.4
239.11105	1.2
240.07675	1.4
241.12672	1.3
252.07707	1.3
257.12308	1.6
261.13599	1.6
265.08655	2.3
266.09369	1.4
267.10077	1.6
269.11685	3.2
282.08847	3.7
283.09875	1.3
297.11230	60.8
297.14676	2.2
298.11615	1.5
315.12268	85.6
315.18170	9.0
315.22961	1.8
316.12689	4.0
333.19107	27.3
334.19043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40491	0.3
55.01853	0.8
55.05495	0.3
65.03932	0.6
67.05479	0.6
69.07059	0.6
69.30047	2.9
77.00877	0.5
79.05489	1.3
81.03410	0.5
81.07018	0.8
87.49007	0.3
91.05476	12.1
93.07031	1.1
95.01929	0.5
95.04961	0.7
95.08609	0.5
98.91145	0.2
103.05441	0.5
105.06389	0.2
105.07013	1.7
107.04940	0.3
107.08583	0.6
108.05723	0.3
108.30356	0.2
109.06520	0.7
109.10152	0.4
117.06954	0.8
119.04935	16.7
119.08585	0.4
120.05259	0.3
121.06498	2.5
123.04406	1.2
123.08053	1.0
131.08514	0.6
132.05681	0.3
133.06425	0.4
133.10109	0.3
135.04414	0.3
135.08054	0.4
137.05981	2.8
138.00859	0.2
145.06522	0.4
145.10086	0.6
147.04391	1.4
147.11742	0.3
149.05934	1.2
149.09532	0.3
150.06728	0.4
151.07529	2.3
161.05978	2.7
163.11227	0.3
173.09650	0.6
179.07021	100.0
180.07303	1.6
185.13246	0.3
205.08556	0.5
213.12941	0.4
271.20831	0.3
283.09644	0.3
297.11264	0.6
315.08453	0.5
315.12189	0.8
315.18710	1.1
315.23077	0.4
315.26971	0.4
333.19064	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1226
Annotation	angophorol
Peak:m/z	Relative Intensity
55.01872	0.4
55.05498	0.3
56.77831	0.3
65.03929	0.5
67.05513	0.5
70.61101	0.9
74.45390	0.3
79.05489	1.0
81.07023	0.7
91.05482	10.9
93.07032	1.1
95.04956	0.4
95.08595	0.4
95.92467	0.2
97.06545	0.5
98.97573	0.3
103.05427	0.3
105.07030	0.9
107.08545	0.4
108.05748	0.6
109.06528	0.6
109.10117	0.3
119.04945	14.6
121.06532	1.6
123.04432	1.3
123.08065	1.1
125.78404	0.3
133.06537	0.5
133.10135	0.3
135.04388	0.5
137.05959	1.8
143.08549	0.3
145.10150	0.4
147.04442	1.3
149.05992	1.0
151.07544	2.4
153.01822	0.4
158.57236	0.3
161.05997	2.7
163.03932	0.3
165.15425	0.3
166.45244	0.3
179.03804	1.9
179.07034	100.0
180.07394	1.7
199.04030	0.4
205.08606	0.7
297.07764	0.4
297.11261	0.5
315.04901	0.3
315.08685	0.4
315.12283	1.1
315.19290	0.3
315.23401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2687
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
53.15929	0.5
55.05502	3.1
58.06589	0.5
59.04984	1.9
65.03901	0.5
65.48676	0.4
67.05502	6.5
68.04991	0.7
69.07066	4.7
70.06592	5.1
70.62484	1.7
71.04997	0.5
79.05489	3.4
80.05009	0.7
81.07047	5.8
82.06564	1.2
83.08584	1.0
84.08142	0.6
86.09695	0.6
91.05485	3.9
93.07037	4.0
94.06560	4.6
95.04968	0.7
95.08595	4.8
96.08124	4.8
97.08878	0.5
98.09692	0.7
105.07037	2.9
107.07333	1.4
107.08574	1.4
108.08113	3.4
109.08904	1.5
109.10139	2.1
110.09676	1.9
117.07003	0.8
119.08578	1.7
120.08064	1.3
121.10143	1.0
122.09668	6.8
127.09933	1.0
130.08615	1.0
134.09641	1.2
135.11638	0.6
136.11218	1.3
140.10675	3.5
147.11678	0.5
148.11201	0.8
150.12767	1.3
150.99776	0.5
152.91338	0.5
161.38608	0.5
162.12759	0.7
177.52283	0.5
194.15428	0.7
204.17546	0.8
208.17017	1.5
220.20581	1.2
222.99063	0.4
236.66508	0.4
238.21651	1.2
260.23724	9.4
278.24783	22.1
296.25830	39.6
297.26312	0.8
314.26877	100.0
315.13205	0.8
315.27274	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2687
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
51.85490	0.7
53.03925	1.1
55.01855	1.5
55.05514	4.3
56.05024	1.1
57.03426	0.8
58.06591	0.8
67.05505	11.7
68.05003	2.0
68.99779	1.8
69.03420	1.2
69.07057	3.9
69.43284	0.8
70.06590	5.1
70.14179	3.8
71.04972	3.4
72.04514	9.4
73.05289	0.8
73.98097	0.7
74.82017	0.8
79.05490	8.3
81.07051	12.6
82.06578	1.2
83.04971	0.8
83.08596	1.3
84.08129	3.0
85.06541	1.5
86.06060	1.8
91.05473	8.8
93.07033	6.9
94.06559	1.2
95.04951	3.9
95.08595	8.0
96.08128	4.7
97.02866	2.8
97.06518	0.9
97.10207	1.1
97.93822	0.7
98.09659	1.4
98.21404	0.9
100.07603	0.8
103.05456	1.4
105.07016	6.4
107.04948	4.0
107.08579	3.8
108.08096	3.0
109.02850	0.8
109.06478	1.1
109.10125	2.4
110.09660	3.9
110.52607	0.6
111.07990	0.8
112.07580	2.8
113.79966	0.8
115.05449	1.0
117.07011	1.7
119.04925	4.1
119.08555	2.3
121.06496	1.0
121.10114	2.5
122.09689	1.8
123.04423	15.1
123.08022	0.8
123.11700	1.0
128.06177	2.2
129.06973	3.5
131.04871	1.8
131.08582	1.2
133.06509	1.2
133.10205	1.2
135.04427	1.6
135.08029	1.7
135.11714	1.4
137.02348	0.9
137.05994	5.2
138.06241	0.8
141.06969	1.9
143.08559	0.8
144.05692	1.4
145.06432	1.7
145.10023	0.8
147.04410	39.1
148.05170	1.3
149.05934	3.0
151.07549	2.4
152.04361	0.8
155.04903	1.8
157.06436	3.9
158.07285	1.3
159.04420	0.9
159.08054	2.7
160.05225	1.3
161.05943	2.3
163.03859	2.0
163.07530	12.6
163.08813	1.4
165.06989	1.6
169.10056	1.0
172.05206	2.0
173.05949	3.4
174.06709	0.7
175.07486	3.5
178.07887	1.0
179.07018	2.3
181.06392	1.0
187.07536	22.1
188.08353	2.1
191.08496	1.2
194.07220	1.8
195.08018	1.7
197.06001	1.7
197.09596	1.5
199.07562	1.8
199.11063	0.8
203.08607	0.9
205.08720	3.7
208.05211	1.2
208.08809	0.8
209.09485	0.9
211.07515	2.0
212.08324	1.3
213.09116	2.0
219.08066	1.5
220.08900	0.8
221.05925	1.5
221.09537	1.1
222.06851	0.9
222.80063	0.9
223.07565	1.6
224.08324	2.1
225.05513	1.4
225.09218	0.9
226.09616	0.9
227.10657	2.4
235.07581	1.1
236.08153	1.0
237.05441	1.0
237.09108	4.3
238.09814	1.0
239.07013	2.8
239.10539	1.4
240.07713	1.5
241.08531	0.9
247.07576	1.7
250.06252	1.2
253.04964	0.9
253.08490	1.1
254.09380	1.8
255.10199	1.2
260.23764	1.4
265.08539	7.0
266.09424	4.5
266.24738	2.6
267.06677	1.1
267.10138	2.1
268.07349	1.4
269.08136	1.2
269.11737	5.6
278.24750	20.5
279.10220	1.1
281.07959	2.0
282.08817	9.5
283.09683	1.0
296.25842	49.4
297.11209	99.2
297.26007	1.5
314.11050	1.1
314.26880	100.0
315.08713	2.1
315.12238	27.7
315.16037	1.5
315.23489	0.8
315.26974	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	0.9
55.05506	6.1
57.03152	1.4
57.03434	18.8
57.07074	64.5
60.51038	0.8
67.05502	11.8
69.07066	11.9
70.03421	4.4
71.08629	43.4
73.06522	0.8
81.07057	15.2
83.08615	13.3
85.10179	24.0
85.10667	1.8
89.06030	3.8
93.07010	0.9
95.08609	24.0
97.06526	1.0
97.10175	6.3
99.11709	1.2
103.07583	1.7
109.10152	10.3
111.11721	1.8
123.11734	4.1
137.13243	1.4
209.78632	0.9
239.23732	4.2
257.24750	4.6
279.06308	1.0
313.27353	100.0
314.27673	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88760	1.0
55.05507	9.4
57.03434	21.4
57.07073	75.2
58.03741	1.2
58.07349	1.1
67.05503	11.5
69.07065	12.1
69.18824	1.2
69.53951	5.9
69.54377	4.6
71.08630	44.4
76.73083	1.3
79.05433	1.5
81.07053	16.8
83.08610	13.7
85.10175	22.3
89.06016	4.6
93.07049	1.4
95.08603	25.8
96.87494	1.2
97.06541	1.2
97.10167	7.8
98.21485	2.1
99.11723	3.0
103.07554	3.0
109.10152	12.4
111.11730	2.3
117.09116	1.5
123.11671	4.6
125.13284	1.7
137.13242	1.7
202.51790	1.3
205.85724	1.6
239.23701	4.8
257.24741	7.9
290.88632	1.2
313.27350	100.0
314.27722	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24222	0.8
53.00286	1.0
55.05506	10.5
55.71867	0.9
57.03437	19.0
57.07075	67.7
57.92866	0.9
58.07406	1.3
65.40754	1.0
67.05502	10.7
69.04935	0.9
69.07070	12.0
70.07385	1.2
70.29151	4.4
71.08630	42.4
75.04473	1.0
79.05497	1.3
81.07054	16.7
83.04969	0.9
83.08616	13.6
84.08948	1.4
85.10176	22.4
89.06030	2.9
93.07037	1.4
95.08602	24.6
97.10162	6.9
98.10518	1.2
98.20829	1.4
99.11725	1.4
103.07577	1.8
108.67365	1.0
109.10147	11.4
111.11752	1.7
117.09104	1.0
117.62256	1.0
121.10100	1.3
123.11739	4.7
125.13274	1.6
137.13246	1.8
142.71800	1.0
161.77249	1.0
239.23737	3.3
257.24777	6.1
275.25824	1.2
296.78986	1.0
313.27335	100.0
314.27820	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03939	10.1
55.01871	20.9
55.05512	59.7
56.96543	10.5
57.03431	14.7
57.07058	39.4
58.07429	8.3
67.05502	70.1
69.02959	7.6
69.03411	9.4
69.07066	59.0
70.48969	35.3
71.04994	10.0
71.08624	32.9
75.71735	8.1
79.05488	54.4
80.05856	8.8
81.07059	100.0
83.04971	12.4
83.08611	37.9
91.05473	42.1
93.07030	53.5
95.04978	22.6
95.08600	79.9
96.39592	8.8
97.10169	24.3
105.07028	40.6
106.52195	11.3
107.08584	38.0
109.10175	54.3
119.08560	19.3
121.10130	31.8
122.11745	10.2
123.08061	24.8
125.09634	28.7
129.06935	9.6
133.10118	29.6
135.11729	18.2
137.09644	11.3
139.11223	27.6
143.08548	16.3
145.10126	28.4
147.11707	22.9
149.09589	12.1
155.08470	9.7
157.10185	10.5
159.11644	20.4
171.11642	12.7
173.11879	10.1
173.13297	18.5
183.11687	14.7
185.13318	11.7
277.21664	32.8
295.22656	27.4
313.17703	51.9
313.21713	20.4
313.27203	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05305	1.2
55.05514	12.8
55.25758	1.0
55.36293	1.0
56.05833	1.3
57.03437	24.8
57.07074	73.1
58.07396	1.2
67.05170	1.4
67.05502	14.9
69.07066	15.5
69.98862	5.7
70.07395	1.8
71.08231	2.2
71.08628	47.1
74.10062	1.0
81.07051	21.8
83.08623	17.6
85.06511	1.1
85.10179	27.5
85.10666	2.2
86.10522	1.3
89.06025	3.4
93.07023	1.4
95.08604	24.1
95.09172	1.8
97.06547	1.2
97.10166	7.1
100.40733	0.9
103.07568	2.4
104.32836	0.9
105.60345	1.1
109.10159	9.8
111.11698	2.2
117.09140	1.2
120.37621	1.0
121.10207	1.3
123.11688	5.3
137.13232	2.2
239.23685	3.4
254.71503	1.2
257.24722	5.4
313.27347	100.0
314.27759	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.05482	39.6
56.96548	62.2
57.03424	35.0
57.07054	54.0
66.07436	21.6
67.05506	49.1
69.07069	42.8
69.56576	100.0
69.56981	42.1
70.30265	19.2
71.08633	27.3
79.05467	36.7
81.07040	89.5
81.56829	24.8
84.73253	19.7
86.09663	21.5
87.24429	19.3
91.05508	30.3
93.07030	45.0
95.04947	33.4
95.08601	67.8
98.21484	45.1
105.07040	44.9
107.08585	21.6
109.10149	30.6
116.98579	26.6
117.05450	27.5
121.10205	26.1
131.08493	27.0
133.10127	23.1
143.08464	34.3
145.10197	22.2
159.11708	30.9
161.06015	28.7
171.11734	22.4
244.73978	25.5
270.26376	26.1
277.21597	42.7
294.75497	22.4
295.22983	55.6
313.10660	33.9
313.21509	45.7
331.15741	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2134
Annotation	(E)-Guggulsterone
Peak:m/z	Relative Intensity
55.01859	4.7
55.05505	11.4
57.07074	11.7
66.92180	3.0
67.05501	6.5
69.07064	6.4
70.60448	6.7
70.60838	8.3
71.08598	4.4
79.05496	8.6
79.21618	2.9
81.07053	9.3
83.04970	18.0
91.05466	7.5
93.07037	4.4
95.08591	8.9
105.07047	5.5
107.08620	3.8
109.10162	4.4
121.10153	5.0
131.08588	4.2
139.11224	4.6
143.08543	3.4
149.60268	3.3
163.07509	5.8
213.10260	3.2
252.74312	3.5
313.11319	4.1
313.17703	63.7
313.21414	100.0
313.27258	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1436
Annotation	Nordentatin
Peak:m/z	Relative Intensity
50.94515	0.4
53.03950	0.9
55.01881	3.9
55.02098	0.4
55.05533	0.7
56.62329	0.5
57.07079	0.7
57.39985	0.5
58.86207	0.5
59.05003	0.7
67.05511	2.8
68.99833	1.0
69.03448	0.7
69.07070	3.4
69.43282	1.2
69.43693	3.5
71.08656	0.6
76.52165	0.5
79.05527	2.0
81.07085	2.2
83.01356	0.8
83.08636	0.6
85.02936	0.5
86.92226	0.5
91.05482	4.0
93.07074	1.2
95.04987	3.6
95.08633	1.4
97.02928	1.4
97.06547	0.7
105.03401	0.5
105.07058	1.5
107.04960	3.7
107.08598	0.8
109.10149	0.7
115.03983	0.5
115.05450	0.9
117.07095	0.8
119.05002	1.0
119.08582	0.9
120.45885	0.5
121.02905	0.7
121.06549	0.7
121.10159	0.9
123.04441	12.3
129.07001	1.0
131.04936	0.8
131.08575	1.5
133.10179	0.7
135.04445	4.6
135.08089	1.3
137.02370	1.1
141.07016	1.0
143.08586	1.3
144.05641	0.7
145.06509	1.6
145.10143	0.8
147.04402	7.2
149.05980	1.2
150.51816	0.5
153.07051	1.6
155.08591	1.6
157.06464	1.2
157.10144	0.8
159.04590	0.6
159.08084	0.9
160.05206	0.8
161.06026	4.4
163.07512	0.9
165.05583	1.3
165.07037	2.8
169.06502	0.8
171.08072	0.7
173.06024	4.7
174.06789	1.0
175.03922	0.8
175.07619	1.1
179.10562	0.6
183.08069	3.4
185.05949	0.8
186.06697	0.7
187.03943	2.2
187.07579	2.0
197.05988	1.4
201.05507	0.6
201.09113	1.0
203.07024	2.8
203.10712	2.0
206.99129	0.5
211.07523	6.7
213.05537	1.0
213.09135	1.0
214.06323	1.1
215.07068	2.2
221.11743	0.6
229.05045	0.7
229.08624	1.1
229.12144	2.3
234.61096	0.5
239.07022	16.7
240.07634	1.2
242.05763	1.0
245.08119	1.0
249.12636	0.5
257.08102	100.0
258.08478	5.1
270.08987	0.7
283.09171	0.5
313.10681	2.9
313.14297	20.6
313.17987	1.3
313.21655	0.9
313.27774	0.6
314.14731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1642
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03952	8.1
55.01877	10.0
55.05494	18.1
56.96568	6.2
57.03432	15.9
57.07077	18.3
61.02914	15.2
63.14079	6.2
67.05497	46.0
69.03429	50.1
69.07062	27.0
70.06590	16.8
70.40058	6.0
71.04997	9.0
71.08624	8.6
71.57110	10.2
73.02925	11.3
75.93805	6.9
79.05492	27.6
81.03417	33.2
81.07055	74.5
83.04962	7.8
83.08630	8.7
84.04448	7.7
84.08139	8.9
85.02901	100.0
85.06535	8.4
86.09672	6.9
91.05483	49.6
93.07031	38.3
95.04956	23.4
95.08607	25.4
97.02896	55.3
97.53776	6.7
99.04449	20.7
103.03951	11.0
105.07024	67.2
107.04961	12.5
107.08606	39.3
109.02896	16.4
109.06512	14.6
109.10149	45.0
111.04458	12.7
113.06034	7.0
116.98614	7.3
119.08576	15.4
121.10135	32.6
122.06024	9.7
123.04426	10.9
123.11721	48.4
127.03928	27.1
129.07014	7.8
130.04941	9.4
131.08534	16.8
133.10130	61.2
135.08084	11.3
135.11630	13.0
136.06235	9.8
145.05008	8.8
145.10103	14.1
147.11673	9.4
149.09595	12.7
151.03873	17.7
151.11195	81.3
157.10056	9.6
161.09567	11.3
163.06073	7.9
163.11157	10.9
175.11214	7.9
221.06096	8.5
259.13431	9.2
277.14563	9.1
288.45200	7.0
295.15283	7.8
313.07028	9.9
313.16733	12.5
313.27441	14.0
316.22870	7.6
327.42938	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
57.07072	4.2
60.29692	1.7
64.72560	1.8
66.68132	1.7
67.05486	2.2
69.03425	4.1
69.07050	1.8
70.06583	7.3
71.08623	3.7
71.56986	2.6
71.57393	1.9
73.02919	3.2
79.05473	4.1
81.03407	3.1
81.07059	3.5
83.05004	2.7
83.06107	2.2
83.08614	2.0
85.02920	4.2
86.09743	2.5
95.04981	3.4
95.08621	3.5
97.02885	4.0
98.97591	2.1
105.06979	2.2
107.04953	100.0
110.07137	2.3
111.04418	2.9
133.06517	3.6
135.08052	40.6
151.03917	6.6
151.07523	4.6
152.07048	2.6
152.10835	2.3
169.37317	1.7
205.06544	2.3
257.72836	1.7
264.76816	1.8
308.90680	2.3
313.08710	8.8
313.27393	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98944	3.5
52.60735	3.3
53.03957	4.2
55.01880	5.7
57.03437	8.9
61.02925	8.1
62.73047	3.0
62.73387	3.9
62.83517	3.4
67.05509	4.2
69.03426	22.0
69.07055	11.2
70.06584	7.0
71.04998	4.7
78.01194	3.2
81.03425	13.1
81.07050	5.0
84.08124	7.0
85.02905	100.0
86.09708	10.0
87.04466	4.0
87.08125	17.1
91.04010	4.1
91.05474	6.0
93.07030	8.1
97.02899	32.2
99.04465	5.4
103.05534	4.5
105.07027	5.0
107.08616	4.8
109.02911	8.4
120.08207	4.1
127.03931	27.2
129.06967	3.2
133.08650	4.4
137.06004	7.9
140.07043	3.6
145.04965	41.9
150.05508	11.5
151.03896	9.2
163.06107	5.5
174.23764	4.4
178.06926	4.8
204.10294	5.4
222.11232	4.1
236.98660	3.6
250.10774	6.1
294.24313	4.5
312.13199	4.0
312.17987	27.4
312.21579	6.3
312.25180	21.2
312.86264	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.05486	5.0
55.49055	3.5
57.03424	7.2
61.02915	7.6
68.32382	3.8
69.03419	22.8
69.07068	10.5
69.41174	3.9
70.06573	13.3
71.04968	4.5
73.02858	5.2
81.03403	7.9
81.07014	6.0
84.08118	5.7
85.02901	100.0
86.09704	4.7
87.08086	15.4
91.03937	5.8
93.07050	5.4
94.06593	4.5
97.02892	27.2
99.04420	7.4
109.02876	10.5
109.06496	4.3
110.07079	4.0
119.19453	3.8
123.04456	4.5
127.03919	28.0
128.16626	4.1
133.08514	4.1
140.07059	7.5
141.07457	6.2
145.04947	36.4
151.03912	6.2
163.06000	9.3
166.08627	4.7
208.71667	3.9
223.07434	8.1
251.07114	7.4
312.09665	5.4
312.18008	28.0
312.21689	7.3
331.89087	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	AS 183
Peak:m/z	Relative Intensity
55.01863	4.2
55.05511	70.6
57.03439	29.8
57.07077	34.0
67.05511	11.2
69.07068	80.4
69.33675	12.5
71.08636	19.0
73.02901	4.4
79.05483	7.1
81.07053	12.8
83.04975	1.3
83.08617	66.7
85.10178	9.8
93.07030	8.9
95.08613	11.2
97.06518	5.1
97.09541	2.8
97.10161	46.3
98.20686	2.7
101.05994	1.9
107.08564	7.4
109.10176	3.1
111.08076	3.3
111.11712	14.1
121.10131	7.4
123.11721	2.4
125.13252	3.4
126.87317	1.2
128.51099	1.2
129.05466	1.3
131.91356	1.2
135.11696	5.6
139.11194	3.5
149.13249	3.7
204.57567	1.3
219.13579	1.3
219.21075	2.7
311.25806	100.0
312.26337	3.0
316.12088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.00299	1.4
53.03928	3.2
55.01855	4.1
55.05511	92.1
57.03439	37.9
57.07076	39.2
61.68951	1.3
67.05215	1.5
67.05502	14.6
69.07066	100.0
69.58665	8.5
69.59090	3.1
70.07376	2.2
71.08627	20.3
73.02911	3.4
75.04475	1.6
77.07169	1.8
79.05495	7.6
81.07066	15.6
83.04974	2.0
83.08619	72.1
85.10168	8.1
92.49580	1.4
93.07027	11.5
95.08611	11.7
97.06528	8.2
97.09540	3.1
97.10168	51.6
107.08604	7.2
109.10156	5.8
111.08071	3.0
111.11710	11.9
121.10160	9.6
123.11654	1.9
125.09624	2.3
125.13232	3.4
135.11714	6.9
137.13252	2.0
139.11128	2.7
149.13252	2.1
209.98227	1.5
237.21982	1.8
244.94949	1.6
311.25790	84.8
312.26102	3.3
331.98248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05511	46.8
57.03439	20.9
57.07071	25.4
63.96121	1.0
67.05503	8.6
68.99775	5.3
69.07068	57.9
71.04996	1.2
71.08634	13.6
71.50532	2.4
79.05497	6.3
81.07050	10.8
83.04987	2.3
83.08615	45.3
85.10182	6.0
91.05483	3.8
93.07040	6.4
95.04956	2.8
95.08611	8.5
97.06538	5.0
97.10168	32.4
99.45806	1.2
104.42151	1.2
105.03374	3.6
105.07027	5.8
107.08582	5.5
109.06488	2.1
109.10136	3.2
110.02204	1.3
111.08089	3.3
111.11708	10.1
117.07024	1.2
121.10141	5.2
123.11694	1.4
125.06010	2.5
125.09648	3.4
135.04414	66.0
135.11684	3.8
136.04744	2.2
139.11098	1.9
144.09419	1.2
146.07263	6.6
147.04425	1.9
149.13298	3.1
152.61699	1.2
161.09612	100.0
162.09979	4.6
163.14745	1.6
177.05455	7.6
203.10771	2.6
209.11717	2.1
223.34424	1.4
255.10280	1.2
311.16415	47.4
311.25809	53.6
312.16653	6.6
312.26157	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01862	2.0
55.05499	2.2
57.07063	2.2
62.57357	0.6
65.88823	0.5
67.05489	3.4
69.07053	2.2
70.71193	1.8
71.08621	0.6
71.47809	0.5
73.33088	0.6
79.05491	5.0
81.07049	2.6
83.04957	1.2
85.40547	0.5
91.05463	2.3
93.07037	2.2
95.04973	1.7
95.08615	2.0
97.06518	0.6
103.05462	2.1
105.07027	34.7
106.07362	1.0
107.04951	5.5
107.08569	1.4
109.06568	0.8
109.10171	0.7
111.04440	1.9
115.05475	1.6
119.08549	1.3
121.10148	1.2
123.04417	0.9
123.08035	1.0
125.09628	1.1
133.06487	100.0
134.06813	3.7
135.04410	4.9
135.11751	0.8
139.06322	0.6
139.11168	0.9
149.02364	0.5
149.09576	0.9
153.05457	1.1
161.06030	0.9
179.10710	0.9
179.52399	0.7
181.12277	0.9
191.10666	5.2
193.05003	2.0
202.82507	0.5
204.85611	0.5
209.11681	6.7
237.11249	5.2
255.06566	2.0
255.10097	2.2
275.20087	2.0
293.20636	0.8
311.12891	1.3
311.16284	2.3
311.19614	0.7
311.24451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.26114	6.0
55.01869	12.9
55.05506	84.3
57.03451	8.9
57.07083	13.8
67.05502	85.1
69.03436	14.7
69.07072	59.6
69.89459	32.5
71.04980	15.4
71.08607	6.8
79.05492	56.7
81.03433	8.2
81.07056	100.0
83.04994	13.8
83.08609	51.6
85.06563	8.4
91.05494	34.6
93.07047	51.8
95.04992	17.5
95.08610	85.9
97.06526	28.5
97.10171	54.4
99.08099	8.7
105.07026	38.3
107.04961	9.0
107.08599	44.8
109.06485	10.6
109.10171	58.8
111.08085	36.5
117.07032	21.4
119.08605	17.3
121.10135	28.4
123.04434	7.1
123.08091	7.2
123.11725	21.3
125.09621	37.1
129.07039	8.7
131.08566	22.7
133.10143	21.2
135.08037	13.7
135.11696	6.1
137.06018	20.4
137.09639	11.2
139.11192	9.1
141.07014	7.8
143.08588	6.3
145.10158	15.3
147.11658	10.0
149.09660	14.0
149.13222	12.2
153.06984	6.0
157.06471	9.5
159.11694	12.9
161.06015	9.1
163.07491	6.7
173.11760	17.4
177.12880	7.0
185.05956	8.3
187.07478	7.7
189.11194	20.6
191.08508	7.6
199.07640	8.7
213.05548	12.6
219.08032	7.1
227.07014	13.7
229.12355	6.7
239.07080	9.3
242.05605	7.3
247.24307	7.7
251.10622	13.3
255.06575	20.7
267.13950	9.8
275.20035	48.9
279.10190	12.8
283.13306	24.5
293.21106	24.0
293.24600	12.0
293.28137	14.6
311.05676	9.1
311.09137	11.4
311.12704	60.5
311.16238	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01880	15.5
55.05497	44.9
66.08682	10.1
67.05501	51.5
69.07064	51.5
69.31178	68.2
69.31594	33.1
71.04964	11.3
71.08603	11.0
73.74507	8.3
75.06806	8.4
79.05495	31.4
81.07037	41.4
83.04978	24.4
91.05468	25.5
93.07037	49.4
95.04951	100.0
95.08607	52.2
97.06544	13.1
97.10178	12.8
99.04460	15.1
105.07045	15.9
107.08597	36.6
109.10152	29.5
111.04429	30.6
113.82321	9.9
117.07022	13.3
119.08578	20.4
121.06551	10.7
121.10152	18.1
121.29314	11.6
131.08597	13.7
133.10114	22.5
135.08064	21.4
139.11145	21.6
145.10103	15.8
147.11639	11.3
151.11176	9.8
155.10660	12.7
159.11720	18.7
167.14406	12.7
237.14781	72.4
275.20056	77.5
293.21100	82.9
311.22089	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01857	7.8
55.05506	13.4
57.03440	1.6
57.07069	26.4
65.95134	1.2
66.18044	1.2
67.05501	9.8
68.99783	3.3
69.03465	1.3
69.07062	11.5
71.01359	2.3
71.05000	1.3
71.42751	2.1
79.05486	10.5
81.03414	2.7
81.07048	8.9
83.04974	15.0
83.08620	9.8
85.02904	2.5
91.05478	5.3
91.17664	1.1
93.07039	10.1
93.57953	1.1
95.04954	15.4
95.08595	5.0
97.06519	3.2
97.10156	6.1
99.04460	2.4
102.67791	1.1
105.07021	4.4
107.04955	5.2
107.08588	9.1
109.02868	5.4
109.06509	2.6
109.10157	3.3
111.04433	27.6
111.08085	4.4
119.08592	4.0
121.06516	1.5
121.10146	7.9
123.08047	1.6
125.05967	7.1
125.09625	6.2
128.06178	1.4
128.31210	1.3
131.08546	3.3
133.10126	3.8
135.04385	3.0
135.08075	1.7
135.11700	3.5
137.02351	1.6
137.09642	2.0
139.11197	1.5
141.06879	1.1
145.10120	6.0
147.04402	5.8
147.08020	1.2
147.11717	1.4
149.09586	10.1
152.19730	1.1
153.05460	17.7
153.12666	2.3
157.10146	1.3
159.11717	1.3
163.11172	12.0
171.08011	1.4
173.11632	1.3
181.04990	3.1
181.06479	1.5
181.12270	9.4
185.05981	1.5
187.11131	1.8
189.11241	3.4
191.10626	15.8
199.07622	3.4
202.09958	2.1
209.11700	100.0
210.12053	3.3
213.05473	1.5
215.07079	1.4
219.10129	2.0
223.13290	18.7
227.06978	5.6
229.19324	1.2
237.11192	77.3
238.11462	3.1
242.05858	1.6
255.06506	15.4
255.12238	12.6
256.06949	3.0
257.18997	3.2
275.20016	18.9
293.17529	4.5
293.21115	13.0
303.61160	1.2
311.09186	1.6
311.12747	30.8
311.18381	2.3
311.22125	2.1
312.60831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03932	7.1
55.01871	12.9
55.05505	19.9
57.07069	35.3
59.64286	4.6
67.05505	37.5
69.07064	19.3
70.06586	5.6
71.04964	5.1
71.08619	14.9
71.19450	9.0
79.05497	23.3
81.03416	16.1
81.07056	47.6
83.04977	15.6
83.08605	7.6
91.05482	18.7
93.07045	25.7
95.05000	15.2
95.08600	65.2
97.06528	10.4
97.10189	6.3
97.61821	4.6
102.82413	4.3
105.07033	14.6
107.04951	8.1
107.08586	12.3
109.02944	6.1
109.06533	8.7
109.10150	21.2
111.04446	29.2
117.07016	8.8
119.08575	12.1
121.06525	5.4
121.10113	10.6
123.08054	23.4
125.05972	6.3
125.09611	8.5
131.08597	9.6
133.10133	13.0
137.09666	9.5
139.11183	9.6
145.10181	6.8
147.11726	5.8
149.02335	18.3
151.11166	10.5
153.05463	19.7
155.10672	7.6
163.11200	5.3
173.11766	6.9
173.13159	4.8
181.12238	8.6
191.10645	11.8
193.04982	35.1
196.62549	19.6
200.20215	5.3
206.77911	4.8
209.11708	100.0
224.65569	7.6
227.06981	7.3
227.75818	4.7
229.28410	4.9
237.11200	69.4
255.06494	21.6
255.12270	8.7
257.18930	4.8
275.20065	20.9
293.17978	6.2
293.21146	14.5
311.09210	7.7
311.12726	21.5
311.24472	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.62908	11.0
54.48493	12.2
55.01876	27.9
55.05509	53.2
57.07071	18.5
61.08115	11.3
66.93156	12.4
67.05505	100.0
67.12991	11.0
69.07072	18.7
70.72058	28.4
75.29140	11.5
79.05494	43.3
81.07047	57.5
83.04983	14.8
83.08595	17.6
91.05493	33.6
93.07047	43.5
95.04963	28.0
95.08604	70.6
97.10165	28.9
105.07019	26.5
107.08603	35.8
109.06554	14.4
109.10178	37.4
111.04452	16.8
119.08576	27.7
121.10142	20.9
125.09671	28.8
133.10152	15.2
135.11612	14.5
145.10065	23.7
153.23637	13.6
159.11748	12.5
171.12799	11.2
189.11157	24.0
201.16490	15.8
209.11682	33.0
219.17351	16.4
231.45755	12.7
237.11179	32.3
275.19962	18.6
293.21124	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.16921	2.0
55.01871	6.3
55.05511	26.4
57.03440	4.1
57.07069	7.3
60.17340	1.8
67.05506	18.1
69.03445	2.6
69.07063	12.7
69.26185	1.7
69.87804	8.7
71.08643	14.8
78.62431	2.3
79.05491	14.7
81.03423	3.4
81.07053	14.3
83.04967	6.8
83.08619	13.7
85.02945	2.2
91.05487	11.5
93.07051	12.6
95.04966	7.9
95.07769	1.6
95.08608	11.7
97.06530	2.1
97.10169	14.2
98.19974	1.6
99.08095	7.7
105.07028	5.3
107.04948	4.4
107.08601	8.9
109.06487	3.4
109.10150	6.4
111.04454	5.8
111.08085	2.4
117.06976	3.4
119.08552	3.6
121.06535	5.7
121.10145	3.7
123.08085	2.4
125.09654	12.1
131.08595	4.1
133.10095	4.4
135.08128	2.0
135.11731	1.9
137.09605	2.3
145.10094	2.9
149.09583	2.6
151.11226	2.8
153.05470	4.0
177.12695	2.2
181.12248	3.3
189.11197	3.2
191.10693	2.2
195.13741	1.7
202.22032	2.0
209.11703	22.9
237.11147	15.0
237.14798	3.2
257.19095	2.5
275.19907	9.1
293.21097	100.0
294.21597	3.7
311.25806	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.81908	5.4
53.03946	8.6
55.01875	46.4
55.05514	100.0
56.96568	8.1
57.03436	23.7
57.07078	58.5
58.87358	4.8
67.05511	79.1
69.03434	7.4
69.06728	7.6
69.07073	93.1
69.34509	50.0
71.08627	21.2
73.06528	5.5
79.05502	46.6
81.03418	15.7
81.07055	63.1
83.04964	22.6
83.08617	62.2
85.10197	8.0
91.05479	39.4
93.07052	50.1
95.04960	22.4
95.08620	67.1
97.06531	18.6
97.10196	41.8
99.08088	8.4
105.07042	20.6
106.24308	6.1
107.04953	21.7
107.08608	25.4
109.06542	12.8
109.10182	31.1
111.04433	13.7
111.08047	5.9
111.11726	13.7
115.07571	6.7
117.07024	10.6
119.08554	28.0
121.10149	23.8
123.08099	11.2
123.11745	8.7
125.05965	6.5
125.09627	57.0
131.08565	14.8
133.06544	7.1
133.10117	18.4
135.08054	10.6
135.11716	14.1
137.09604	22.4
143.08582	6.3
149.09625	12.4
151.11192	35.9
153.05476	9.1
155.10716	8.6
159.11748	6.3
163.11186	9.4
169.10120	5.8
177.12746	14.8
181.12291	15.2
191.10777	10.8
195.13805	8.6
204.59001	6.6
209.11708	47.6
237.11244	28.1
247.20581	8.4
255.06529	11.1
256.54739	6.2
257.18958	6.3
275.20013	27.5
293.21146	37.7
300.59283	6.1
311.12646	8.0
311.22784	5.8
311.25937	84.8
331.15829	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.68817	5.6
53.03913	5.3
55.01862	15.4
55.05517	44.3
55.24012	4.8
57.03419	14.6
67.05503	81.5
69.03418	15.3
69.07065	22.2
70.71039	11.9
71.04978	16.2
71.05415	4.8
71.08627	49.9
79.05499	38.4
80.35639	5.7
81.03439	10.1
81.07063	48.0
83.04984	31.7
83.08624	20.9
85.02901	8.4
91.05481	25.6
93.07059	42.6
94.73243	5.0
95.04959	23.1
95.08609	70.0
95.14130	5.2
95.97000	5.2
97.06522	13.6
97.10164	21.6
99.08083	33.7
105.07040	14.7
107.08588	20.7
109.06541	6.2
109.10152	51.4
113.06020	6.1
117.07011	11.1
119.08573	30.1
121.10140	19.3
123.08058	7.1
123.11752	6.4
125.09639	13.6
127.11123	6.2
131.08536	7.2
133.10136	17.2
135.08032	8.4
135.11702	5.8
137.09587	21.1
139.11162	59.3
149.09708	7.1
151.11163	30.5
155.10678	31.2
159.11757	8.2
161.09601	10.6
162.73328	5.7
163.11235	6.9
173.11736	21.6
177.12769	14.1
179.10646	9.6
189.11182	17.7
191.14406	7.3
239.53552	5.7
245.07928	5.8
257.19058	8.9
275.20071	38.8
293.21118	100.0
311.22058	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.42937	3.7
55.05513	16.9
57.07087	10.5
59.29860	3.6
67.05513	15.1
69.07063	14.0
69.70251	28.5
71.08636	15.8
79.05518	11.5
81.07067	14.4
83.08607	9.1
90.11179	4.0
90.73103	3.7
91.05509	4.2
93.07067	9.2
95.08628	12.1
97.10149	6.1
98.21501	5.9
99.08099	8.6
111.04432	5.2
125.09702	6.4
131.08466	3.8
135.11722	4.4
143.66402	4.0
148.48483	5.3
153.05507	4.3
159.11807	5.9
165.12778	6.0
179.36266	4.3
209.11797	20.1
237.11296	15.3
247.20700	3.7
275.20108	8.3
293.21136	100.0
311.25787	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01858	53.9
55.05506	72.0
57.03430	18.6
67.05499	76.7
69.03425	13.7
69.07064	70.6
69.56306	22.8
69.56722	37.5
71.04966	20.0
79.05490	58.5
81.03434	12.6
81.07056	100.0
83.04967	49.9
83.08617	63.7
84.73112	7.5
85.06540	12.9
86.59491	7.0
91.05470	44.6
93.07045	72.1
95.04983	21.7
95.08597	66.6
97.06551	58.3
97.10146	71.9
103.69526	8.5
105.07017	40.7
107.04935	9.6
107.08588	58.8
109.06465	11.5
109.10134	37.7
110.32481	7.6
111.04440	15.9
111.08069	25.1
113.06004	15.7
117.06979	17.7
119.08570	33.0
121.06508	10.2
121.10136	35.8
123.08079	19.3
123.11713	22.3
125.09625	64.5
126.86952	8.0
129.07030	15.3
131.08592	32.2
133.10115	26.0
135.08057	25.7
135.11717	20.9
137.02327	12.2
137.05963	16.2
139.11156	19.3
145.10135	27.7
149.09616	16.2
153.09081	14.7
157.10211	9.0
163.11151	12.0
169.10085	8.9
171.11664	11.9
189.11240	41.6
227.07130	15.5
229.19519	8.7
249.39178	7.9
255.06551	59.0
275.19983	50.4
293.21149	59.4
311.05722	12.0
311.09116	25.1
311.12772	38.2
311.16132	15.0
311.22366	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03915	4.9
55.01863	12.1
55.05506	32.7
57.03438	5.7
57.07070	9.5
65.03983	5.6
67.05502	47.0
69.07056	34.0
71.03098	10.9
71.04971	5.1
79.05494	34.6
81.03409	15.7
81.07053	52.0
83.04964	18.0
83.08591	12.5
85.06521	7.6
91.05488	24.6
93.07034	50.3
95.04980	13.8
95.08609	38.9
97.06538	9.6
97.10141	10.6
105.07008	21.6
107.04928	5.8
107.08577	20.2
109.06469	6.8
109.10156	15.7
111.04439	12.0
113.06168	5.7
117.06991	11.9
119.08559	13.1
121.06490	7.5
121.10120	24.0
123.08065	28.2
125.09624	15.2
128.06224	5.3
129.06978	5.1
131.08545	10.2
133.10107	19.1
135.08078	10.3
135.11697	5.6
139.11163	14.5
143.08504	6.9
147.08099	5.8
147.11653	9.8
149.09610	12.7
151.11166	6.3
155.65079	5.1
159.11743	6.2
163.11143	6.2
165.01868	6.5
203.12689	8.2
209.11685	11.5
210.11917	5.3
213.05380	8.2
237.11250	14.0
241.04933	100.0
242.05397	12.0
247.20668	5.1
255.06531	12.5
265.04926	10.2
269.04364	6.8
275.20087	48.5
283.06030	11.6
293.20990	36.7
311.05475	93.8
312.05716	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Porphyrin
Peak:m/z	Relative Intensity
51.48312	1.9
51.66006	2.1
55.01882	5.3
55.05494	9.5
56.79275	2.3
57.07079	2.7
67.05495	12.4
69.03426	9.2
69.07059	13.9
69.29315	20.3
69.29724	7.7
71.04993	5.4
73.80336	2.5
79.05479	14.3
81.03424	3.2
81.07056	22.6
83.04984	3.4
85.02868	2.7
85.06538	2.8
91.05489	17.5
93.07048	19.3
94.04170	5.6
95.04969	9.1
95.08620	15.2
97.06532	5.1
97.10133	3.5
98.21539	5.5
99.04465	4.4
101.32668	2.5
103.05482	3.3
105.07043	20.8
107.04940	5.7
107.08591	10.7
109.06508	7.5
109.10139	11.7
110.51406	2.1
111.04469	3.2
111.08076	4.6
115.05409	3.3
117.07005	6.0
119.08561	7.7
121.06513	5.8
121.10146	9.2
122.03649	9.2
123.08025	3.9
125.06031	3.2
128.06256	4.2
129.06998	11.1
131.08598	4.3
133.06525	5.0
133.10132	4.9
134.99664	2.3
135.04376	2.9
135.11693	2.7
137.05977	100.0
137.09610	3.2
144.05681	4.4
145.06479	4.9
145.10095	4.2
146.03595	2.6
147.08038	4.1
147.11699	3.1
149.05962	9.2
149.09605	3.5
149.13258	3.9
155.04895	6.4
159.08051	8.7
161.05956	14.8
163.03876	8.2
163.07564	3.1
165.07021	5.2
169.10023	3.5
172.05228	3.4
175.07538	3.6
181.06555	2.8
187.07527	27.6
189.06996	8.6
190.07793	26.9
191.06926	3.9
191.08577	56.0
193.06659	3.0
197.05968	2.7
202.07744	2.9
205.06519	4.2
207.08083	7.4
208.08812	9.7
218.07330	13.5
219.08055	68.9
220.08772	11.6
221.06050	2.8
234.06622	2.5
235.07596	11.8
236.08348	14.1
237.09174	4.7
247.07513	25.1
248.08168	3.0
251.10674	86.1
252.10876	3.9
253.08630	7.6
255.06537	4.9
261.09085	5.1
263.07196	3.0
264.07813	9.0
265.08658	6.9
265.12006	2.6
275.20035	3.1
279.10156	69.3
280.10611	6.5
281.08060	10.0
283.13254	3.0
296.10452	9.8
311.05505	4.9
311.09219	6.4
311.12738	72.8
312.13016	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01862	1.6
57.03424	2.2
57.51680	1.0
67.05486	5.3
67.34566	1.1
69.03427	2.4
69.07049	2.6
69.39822	11.9
70.49156	1.1
71.04993	2.4
79.05470	5.8
81.03394	1.2
81.07050	7.7
83.08608	1.8
85.05269	1.3
85.06519	3.4
91.05487	9.1
93.07027	5.4
94.04208	6.2
95.04964	2.9
95.08592	3.1
97.02886	1.8
97.63561	1.1
101.55258	1.1
103.05436	2.9
105.07026	11.1
107.04960	3.0
107.08578	3.0
109.06507	10.4
109.10136	1.6
115.05453	4.8
116.06219	1.5
117.07073	1.5
119.08554	2.5
121.06513	2.9
121.10136	3.0
122.02851	1.5
122.03653	12.9
123.08036	1.3
125.05978	2.0
128.06216	4.0
129.07013	7.7
131.04919	1.8
131.08545	5.0
133.06491	5.6
133.10149	2.7
135.07939	1.6
137.05974	100.0
138.06454	1.4
144.05679	4.4
145.06462	2.6
147.11694	1.9
149.05966	6.5
149.09605	1.6
151.07455	2.0
152.06232	1.6
153.06979	1.4
155.04947	10.0
155.05977	2.0
159.08026	9.5
159.11774	1.8
161.05963	12.8
163.07542	1.7
163.11021	1.2
165.06958	7.1
167.07063	4.6
167.80325	1.4
171.04381	2.1
172.05185	2.7
175.07530	3.9
179.08551	3.4
180.09305	1.6
181.06480	3.6
187.07524	32.5
189.06947	10.5
189.08478	1.2
190.07758	30.4
191.08545	60.2
192.08940	2.7
193.06474	1.9
195.07985	2.0
202.07819	2.3
203.08427	2.0
205.06509	3.4
207.08054	8.9
208.08868	7.8
209.05913	1.4
210.06731	1.8
217.06454	1.4
218.07274	18.1
219.08040	79.5
220.08664	8.6
221.06067	2.5
225.09073	3.2
229.07700	1.6
233.09656	2.5
235.07498	10.0
236.08308	18.8
237.05467	3.5
237.09009	2.4
246.06703	3.7
247.07541	33.6
248.08241	4.9
249.05418	2.1
251.10658	98.4
252.11046	3.9
253.08556	10.7
253.61696	1.5
255.06456	2.8
261.09094	3.9
263.07025	2.3
264.07828	9.8
265.04941	4.1
265.08591	5.3
266.05728	2.5
267.10214	2.3
268.10849	2.6
279.10159	70.8
280.10861	8.5
281.08051	13.4
283.05997	2.4
283.13293	1.6
293.04556	2.9
293.20963	1.5
294.04953	1.5
295.09656	2.3
296.10400	14.4
311.05521	28.3
311.12753	69.7
312.05740	2.2
312.13065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01863	7.4
55.05526	2.4
56.96565	6.1
57.03417	2.4
65.03934	3.5
67.05513	11.2
69.03430	9.2
69.07063	6.1
71.58067	2.7
72.22018	2.1
77.03948	2.4
79.05498	17.1
81.03415	6.0
81.07056	13.7
83.08601	2.2
85.02898	4.1
85.06532	4.5
91.05458	22.7
93.07045	10.0
94.04189	6.2
95.01414	2.2
95.04977	5.5
95.08600	11.6
97.02888	8.3
97.06509	3.9
98.03250	2.3
103.05479	6.1
105.07031	22.8
107.04970	5.7
107.08588	6.7
109.06528	5.4
109.10152	8.2
110.53918	2.0
110.97565	2.7
111.08079	2.5
111.08884	2.0
115.05470	7.6
116.06212	2.2
117.07020	7.1
119.04976	2.3
119.08591	8.3
121.06487	5.2
121.10133	6.0
122.03636	11.5
123.11700	4.0
128.05342	2.2
128.06236	8.7
128.98596	2.8
129.07013	8.4
131.04926	2.9
131.08572	7.2
133.02856	3.1
133.06483	17.3
133.10120	5.9
135.11699	2.8
137.05966	100.0
137.09668	2.1
138.06377	2.2
141.06998	2.6
143.08536	4.0
144.05719	4.3
145.06470	11.2
145.10123	3.7
146.99673	4.2
147.04439	5.8
147.08086	3.0
147.11613	2.5
149.05983	15.6
155.04965	7.7
155.08549	4.5
158.07227	2.8
159.04506	2.8
159.08072	12.8
161.05975	45.3
162.06732	7.0
163.07533	4.5
165.06982	4.1
167.07021	6.7
168.07324	4.1
171.08037	5.8
172.05205	4.3
173.05981	7.9
173.09685	3.2
175.07613	12.2
179.07007	2.3
181.06462	2.7
183.08064	2.2
185.05925	3.6
186.06773	5.4
187.07538	29.3
189.05444	7.0
189.07059	7.2
189.08809	2.4
190.07774	27.3
191.07005	3.6
191.08539	59.1
193.06563	2.2
194.07306	2.6
199.07532	8.5
199.55830	2.2
201.05328	2.2
201.09119	5.8
203.06966	3.8
205.06607	4.8
207.08064	6.4
208.08862	6.9
211.07567	3.2
214.06247	4.2
215.06999	28.5
215.08830	2.4
217.08636	2.4
218.07307	13.8
219.08046	76.0
219.10117	4.7
220.08659	8.7
221.06021	4.9
227.02127	2.7
227.06998	9.7
229.08791	10.9
233.07927	17.0
235.07497	11.0
236.08276	18.5
245.08073	83.3
247.07556	27.4
248.08168	4.2
251.10670	88.8
252.10973	4.3
253.08601	6.7
255.06516	3.4
257.08078	23.8
257.18823	2.4
261.08981	2.8
263.06927	2.7
263.09186	15.9
264.07687	10.2
265.08527	3.3
268.10977	3.1
275.09164	18.4
275.20065	2.9
279.10135	59.9
280.10785	8.1
281.08044	10.9
293.10217	7.0
293.21082	2.5
295.09491	2.8
296.10263	13.3
311.12857	53.4
312.12961	3.2
328.58463	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71803	0.9
53.03935	1.7
55.01862	1.8
67.05492	3.6
68.99792	1.0
69.07070	1.2
70.89281	2.1
75.18849	0.8
78.87147	0.8
79.05502	6.1
81.03407	1.0
81.07062	5.4
83.04958	1.0
85.06521	1.0
91.05485	8.6
93.07024	4.1
94.04163	4.5
95.04947	2.5
95.08581	3.5
97.06512	1.6
103.05443	2.2
103.66142	1.0
105.03473	1.0
105.07027	9.1
107.04940	1.5
107.08588	2.2
109.06506	8.5
109.10125	1.2
111.08036	0.9
115.05444	4.1
116.06226	1.3
117.06989	1.2
119.08573	2.5
121.06493	3.4
121.10140	2.4
122.03651	12.1
123.04417	1.7
125.05965	1.4
127.03873	1.3
128.06195	1.7
129.06979	3.9
131.04910	2.5
131.08566	2.8
133.06523	5.3
133.10162	1.1
135.07994	1.2
137.05971	100.0
138.06322	1.7
139.07559	1.0
141.06990	1.6
144.05653	4.3
145.06480	2.8
145.10092	1.2
146.03659	1.1
147.08012	1.5
147.11642	1.7
149.05989	5.4
151.07527	2.1
152.06253	1.0
153.07010	1.8
155.04910	9.3
156.05638	1.5
159.08046	9.3
161.05972	11.7
163.03802	1.1
165.07002	4.7
167.07022	1.2
171.04352	1.0
172.05190	3.8
175.07549	3.5
178.07738	1.0
179.08612	2.1
180.09317	1.9
181.06512	2.4
187.05858	1.5
187.07530	25.9
188.07872	0.9
189.06987	9.3
189.08669	1.3
190.07759	32.2
191.08546	55.0
192.08943	1.9
193.06468	1.1
195.07924	1.0
201.07095	1.7
202.07813	2.1
205.06477	2.1
207.08051	7.5
208.08778	5.9
211.07684	1.0
218.07245	17.5
219.08043	72.4
220.08755	9.2
221.05975	3.8
222.06630	1.1
223.11209	1.9
225.09041	1.2
233.09541	2.0
234.10248	1.0
235.07492	11.2
236.08347	13.3
237.05441	2.2
237.09035	3.6
246.06857	2.3
247.07533	28.7
248.08170	3.5
249.05434	1.7
249.09119	2.4
251.10664	94.9
252.11018	3.5
253.08531	9.7
255.06534	3.1
261.09109	3.7
263.07013	2.2
264.07706	9.9
265.05377	1.4
265.08527	4.9
266.05704	2.7
268.10941	3.3
279.10153	63.0
280.10748	6.1
281.08029	13.1
283.05841	1.2
283.13327	1.6
293.04431	1.2
293.07996	1.2
295.09625	2.5
296.10425	11.9
311.05502	13.4
311.12741	58.4
312.13199	3.6
330.60995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Moracin N
Peak:m/z	Relative Intensity
53.97637	1.1
55.05501	2.2
57.07063	4.1
67.05495	6.1
68.99789	7.9
69.07068	30.0
70.71276	3.5
71.04974	1.4
71.08598	1.4
75.36262	1.2
79.05494	2.7
81.03411	2.6
81.07040	4.1
83.04969	1.2
84.32956	1.2
91.05474	3.2
93.07027	3.1
95.04945	2.3
95.08605	6.6
99.08049	1.3
101.05956	1.2
105.07010	1.5
105.67000	1.2
107.04916	1.3
109.10187	1.7
111.04439	2.0
118.52041	1.2
119.08572	2.8
123.08042	1.8
125.06021	1.6
128.03183	1.1
128.06219	2.2
129.07022	1.4
131.04939	2.7
131.08562	3.3
133.10181	1.9
137.02327	3.2
137.09619	1.6
141.07031	2.1
144.24167	1.3
145.06508	1.5
146.03694	1.8
147.04395	20.4
149.02281	1.4
149.31700	1.2
151.11148	2.1
153.05511	2.1
153.06985	4.8
155.10696	5.8
157.06482	5.3
159.04312	1.4
159.08069	2.2
160.64529	1.1
169.06473	1.6
171.08069	3.8
173.06010	2.1
180.08264	1.3
181.06509	4.8
184.05212	1.9
185.05989	3.8
187.07524	1.8
191.10616	1.4
197.05968	1.6
199.07538	9.4
202.09888	5.0
209.11760	8.8
213.05479	4.8
215.07053	4.8
226.06215	1.4
227.07027	20.3
237.11208	6.6
239.07004	2.6
242.05714	5.8
243.06557	4.8
245.60068	1.2
247.76115	1.2
255.06488	43.1
256.06854	7.7
275.20172	2.8
283.13187	4.9
293.17850	1.3
293.21155	4.7
311.12756	100.0
312.13086	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82984	1.2
55.01867	2.6
55.05497	3.1
65.03932	1.3
67.05498	4.8
69.03414	4.0
69.07051	4.7
69.14668	1.1
69.52043	6.8
69.52476	4.0
79.05481	8.5
81.03405	1.4
81.07053	10.2
83.08582	1.7
85.06529	2.1
91.05479	10.0
93.07036	4.0
94.04173	4.2
95.04951	3.0
95.08596	7.0
97.06543	2.9
97.10134	1.5
103.05479	2.9
105.07035	10.1
107.04925	6.3
107.08572	3.2
109.06514	7.8
109.10153	3.7
111.08086	1.7
115.05479	2.4
117.07008	2.1
119.08595	3.9
121.06518	3.7
121.10130	4.6
122.03645	11.9
123.04449	2.1
123.08089	1.3
123.11700	2.0
125.09622	1.7
128.06206	2.2
129.07018	7.1
131.04921	4.1
131.08591	3.3
133.06522	5.9
133.10138	1.9
135.04321	1.5
135.11705	1.8
137.05974	100.0
138.06329	2.3
144.05704	4.1
145.06496	1.3
145.10095	2.2
147.08018	2.2
149.06004	5.8
149.07442	1.2
151.07478	1.6
153.06956	1.7
155.04919	7.5
156.05730	1.3
157.06444	1.3
159.04439	1.4
159.08057	8.6
159.11617	1.2
161.05991	15.3
161.13197	1.5
163.03946	1.2
163.07504	1.3
165.07013	4.5
169.06369	1.4
172.05185	2.8
173.09593	1.4
175.07524	3.8
179.08470	1.9
180.09325	2.8
187.07552	26.2
189.05576	1.4
189.07036	7.1
189.09088	1.5
190.07759	28.1
191.08539	50.1
192.08879	1.7
202.07813	2.3
203.08632	1.9
205.06436	3.1
207.08052	5.3
208.08818	5.9
215.07018	2.0
218.07257	15.2
219.08049	58.5
220.08714	6.4
221.05933	3.3
225.09067	2.6
227.06976	1.4
233.09636	1.9
235.07562	9.3
236.08247	14.2
237.08986	2.4
238.65259	1.7
245.08087	3.7
246.06631	1.9
247.07555	27.3
248.08348	4.6
249.09035	2.0
251.10675	90.2
252.07721	1.2
252.11006	4.0
253.08691	9.5
255.06645	3.1
261.09100	3.2
263.06937	1.8
264.07822	8.3
265.08524	5.0
267.10059	1.9
268.07065	1.2
279.10150	61.4
280.10696	6.7
281.08084	14.6
283.10147	1.7
283.13272	2.5
293.08072	2.8
293.11502	1.3
293.21008	1.6
296.10327	11.0
309.11093	1.3
311.05441	4.3
311.09250	5.4
311.12732	57.2
312.13092	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Moracin N
Peak:m/z	Relative Intensity
55.01860	1.2
67.05492	1.2
69.07044	2.0
70.78132	2.0
79.05483	0.8
81.07033	0.9
91.05462	1.2
105.07021	1.0
109.10130	1.6
118.70147	0.7
128.06219	1.2
129.06978	1.0
131.05014	0.7
134.03586	1.1
145.06427	0.9
147.04393	1.2
153.06973	2.5
157.06456	1.1
168.98772	0.8
171.08046	2.7
180.81927	0.8
181.06512	4.2
182.07013	0.7
184.05173	2.2
185.05942	1.3
187.03809	1.4
199.07541	6.9
227.07042	11.1
235.00310	0.8
255.06511	100.0
256.06772	4.7
281.93005	0.9
296.09811	1.0
311.12750	17.2
324.80054	0.7
329.39059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01871	3.4
55.05499	4.1
56.96548	1.1
57.03430	2.1
57.07056	2.0
65.03932	2.6
67.05495	2.9
69.03421	4.0
69.07059	7.6
69.76527	5.6
69.87247	0.9
70.23286	1.0
71.01357	1.2
71.08631	1.5
71.51971	1.0
74.78276	0.9
78.87548	1.0
79.05495	6.8
81.03416	1.6
81.07042	9.8
83.08611	3.5
85.02911	3.0
85.06542	1.8
87.64446	1.1
91.05473	19.9
92.80035	1.1
93.03396	2.2
93.07018	4.0
95.01344	2.2
95.04970	2.4
95.08591	8.3
96.58518	1.2
97.02884	2.0
97.06519	1.3
97.10185	2.0
100.75736	1.0
103.05447	5.3
105.07023	13.0
107.04950	2.7
107.08588	3.8
109.10152	3.7
111.08044	2.2
115.05446	6.6
116.06231	1.5
117.07017	6.6
119.04960	1.8
119.08600	3.0
121.06491	1.5
121.10150	1.3
122.03612	1.2
123.04399	1.3
123.11671	1.7
128.06212	6.0
129.06999	5.5
131.04915	2.3
131.08554	5.6
133.06499	8.8
134.07230	1.2
135.04451	1.3
135.08057	3.2
137.05966	5.7
141.06990	3.0
142.07840	1.0
143.08546	4.0
144.05721	2.1
145.06491	8.8
145.10110	3.3
147.04366	3.8
147.08005	3.1
149.05962	9.9
149.13280	1.6
152.06155	1.6
153.06944	3.1
155.08513	3.5
157.10149	1.3
158.07227	2.5
159.04424	2.2
159.08061	7.0
161.05978	37.8
162.06764	6.2
163.07523	9.8
165.07072	1.9
169.06564	1.5
170.50508	1.0
171.04410	1.2
171.08080	4.9
172.35753	1.0
173.05949	7.3
173.09659	3.9
174.06754	1.8
175.07555	13.3
177.05473	1.9
179.06990	1.7
183.08069	2.4
184.05228	1.4
185.05989	4.0
186.06781	6.4
186.08194	1.1
187.07535	11.8
188.08188	1.3
189.05508	7.6
189.09087	2.3
190.07880	1.1
191.07004	8.4
191.08632	3.2
197.05957	1.1
199.03821	1.7
199.07570	10.7
199.97714	1.1
201.05432	3.7
201.09088	6.4
203.06961	2.3
207.11415	1.3
211.07535	2.7
213.05524	1.4
214.06247	3.0
215.07028	38.9
215.09132	2.0
217.08600	2.9
218.07300	1.2
219.08028	3.0
227.07050	11.8
229.08612	11.8
233.04544	5.0
233.08051	22.1
239.06975	1.2
245.08093	100.0
251.10686	4.8
255.06589	1.3
257.08072	27.4
263.09128	16.7
271.09659	1.1
275.09146	23.7
279.10159	3.7
283.13312	1.2
293.10358	10.7
311.11639	10.4
311.16495	2.4
311.20294	1.3
311.29578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Moracin N
Peak:m/z	Relative Intensity
51.87600	1.3
53.03947	1.6
55.01859	3.2
55.05507	12.8
56.96560	8.1
57.03418	2.6
57.07060	2.8
59.12669	1.3
63.19928	1.3
67.05501	15.6
67.30334	1.2
68.99790	7.3
69.03415	3.8
69.07064	41.7
71.04963	1.4
71.08603	1.4
71.58368	2.1
79.05484	8.7
80.63987	1.3
81.03413	1.7
81.07047	14.4
83.04975	3.8
83.08608	7.7
85.06553	1.7
91.05473	9.2
93.07044	8.1
95.04949	4.4
95.08585	14.5
97.06523	5.0
97.10159	5.4
98.26624	1.4
100.11240	5.2
103.05475	1.3
105.07040	7.5
107.04962	3.9
107.08608	7.6
109.02885	2.0
109.06522	3.3
109.10143	10.8
111.08064	5.8
115.05453	2.3
117.07008	3.2
119.08550	4.7
121.06514	2.2
121.10146	6.6
123.04464	1.8
123.08052	2.5
123.11711	3.5
125.09592	3.0
127.03912	1.7
128.06189	4.2
129.06979	3.1
131.04900	4.2
131.08578	3.6
133.06454	1.5
133.10069	3.0
135.07988	2.0
135.11728	1.8
137.02359	4.1
137.05960	9.7
141.06953	2.4
143.08559	2.7
144.05724	2.0
145.06462	2.5
145.10132	1.6
147.04416	15.4
149.02318	1.8
149.05962	3.2
149.09618	2.0
149.13231	4.0
151.03917	1.3
153.07010	3.6
157.06462	3.4
159.04443	2.7
159.08047	5.4
159.11725	2.4
161.02356	2.3
161.05974	2.8
161.13243	1.9
163.07524	2.7
168.13866	1.8
169.06586	1.9
171.08054	5.7
172.11484	1.4
175.07584	1.7
181.06476	5.4
182.15399	2.0
184.05247	3.4
185.05952	5.9
185.09671	1.4
187.07553	4.3
190.07758	1.9
191.08560	4.6
195.08138	1.7
197.05885	1.4
199.03897	1.9
199.07535	6.5
202.09891	6.1
213.05464	7.6
213.07751	3.0
215.07021	3.3
219.08054	7.7
223.14940	1.9
226.06433	1.6
227.07021	14.0
231.09064	5.8
233.12018	1.7
239.06865	1.8
242.05801	4.1
243.06454	2.4
247.07614	4.1
251.10664	9.9
255.06485	45.1
256.06873	5.3
267.13782	2.0
275.16397	3.1
279.10110	7.3
283.13235	6.4
293.20947	1.6
293.24744	4.9
293.28015	1.6
296.10532	1.8
297.10144	4.0
311.09418	3.8
311.12726	100.0
312.13177	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01865	0.9
56.05029	1.0
56.96523	0.6
57.03424	2.4
58.06601	0.6
60.04522	1.3
61.02922	5.5
67.05493	1.7
68.05018	1.0
69.03424	11.7
70.06557	1.2
71.04998	4.1
71.56593	0.9
72.04510	2.1
73.02905	2.2
81.03406	3.8
82.06575	3.6
83.04975	0.9
84.08146	5.3
85.02904	22.0
86.06063	16.6
87.04456	1.9
91.03950	2.3
94.06550	3.3
95.79309	0.6
97.02884	8.6
99.04427	1.7
101.02393	0.7
109.02862	2.5
112.07598	16.3
127.03908	5.8
128.59837	0.6
130.08638	27.8
135.34616	0.7
145.04980	3.4
148.09679	100.0
149.09999	1.0
172.09631	0.9
179.02197	0.6
190.10707	0.9
203.16484	0.5
205.25729	0.6
212.85193	1.5
234.99832	0.8
292.13858	1.4
310.14938	27.7
328.83142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.091
Annotation	Hoslundal
Peak:m/z	Relative Intensity
51.80548	0.6
55.01876	0.8
55.05505	1.4
57.03436	0.8
65.03934	3.6
67.05492	2.3
68.99782	0.7
69.03391	1.1
69.07055	1.9
70.53285	2.3
71.04985	0.6
75.90334	0.6
77.08775	0.5
79.05508	1.3
81.07035	3.0
83.05003	1.1
83.08649	1.2
91.05478	100.0
92.05829	1.5
93.03438	0.8
93.07033	2.4
94.87893	0.6
95.04960	1.5
95.08592	2.7
97.10179	1.1
98.98472	0.8
103.05471	2.6
105.03399	1.1
105.07045	1.9
107.04957	1.0
107.08604	1.0
108.25217	0.5
109.02828	0.7
109.06426	1.0
109.10168	1.1
111.08074	1.0
113.06056	0.7
115.05445	0.9
117.07058	1.3
119.04933	7.3
119.08575	1.6
121.02834	0.6
121.06512	0.6
121.10158	2.0
128.06197	0.6
129.07005	2.3
131.04907	2.1
133.06477	0.9
133.10202	0.7
137.02342	0.7
137.05972	5.6
141.06955	0.9
143.08504	0.9
145.10118	0.8
147.04417	2.4
149.02365	0.9
149.05956	1.1
155.08597	1.0
157.06404	1.2
159.04315	0.7
161.02364	0.9
161.06015	1.9
165.06992	0.9
167.03392	8.0
169.10141	0.7
175.03969	0.8
175.07474	1.0
178.07825	0.9
179.08598	1.4
181.01373	3.2
186.03104	2.4
187.03894	2.2
187.07626	1.4
190.07813	1.7
191.08609	2.7
197.09610	0.8
199.03827	0.8
202.02679	1.1
204.04167	1.9
205.04932	6.1
215.03351	7.2
215.07005	0.9
218.07214	0.9
219.07973	4.9
223.07632	1.0
227.07027	1.8
233.04437	72.0
234.04829	1.5
235.07571	1.5
236.08394	0.7
237.09151	1.1
239.06993	0.9
245.08159	1.8
247.07565	2.5
251.10614	4.0
255.06500	1.4
257.08096	1.0
265.08627	5.0
275.06909	0.8
279.10098	3.6
281.08163	0.8
283.09787	0.9
283.13150	1.0
293.08069	44.0
294.08484	1.9
296.10358	1.0
311.09134	18.7
311.12793	5.8
311.16324	0.9
330.65753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1496
Annotation	4-O-beta-D-Glucopyranosylfagomine
Peak:m/z	Relative Intensity
53.03944	1.0
55.01865	0.9
56.05029	1.0
56.96523	0.6
57.03424	2.4
58.06601	0.6
60.04522	1.3
61.02922	5.5
67.05493	1.7
68.05018	1.0
69.03424	11.7
70.06557	1.2
71.04998	4.1
71.56593	0.9
72.04510	2.1
73.02905	2.2
81.03406	3.8
82.06575	3.6
83.04975	0.9
84.08146	5.3
85.02904	22.0
86.06063	16.6
87.04456	1.9
91.03950	2.3
94.06550	3.3
95.79309	0.6
97.02884	8.6
99.04427	1.7
101.02393	0.7
109.02862	2.5
112.07598	16.3
127.03908	5.8
128.59837	0.6
130.08638	27.8
135.34616	0.7
145.04980	3.4
148.09679	100.0
149.09999	1.0
172.09631	0.9
179.02197	0.6
190.10707	0.9
203.16484	0.5
205.25729	0.6
212.85193	1.5
234.99832	0.8
292.13858	1.4
310.14938	27.7
328.83142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	96.9
55.05510	38.2
55.26516	5.4
57.03439	5.2
67.05235	4.7
67.05506	57.6
69.06785	4.4
69.07070	51.0
79.05499	40.8
81.03433	5.3
81.07053	100.0
83.04967	19.3
83.08624	35.0
91.05480	34.7
93.07041	51.0
93.79260	4.6
95.04946	8.6
95.08604	57.6
97.06535	97.9
97.10173	8.8
98.21502	17.3
99.08102	6.6
105.07038	37.2
107.04969	7.3
107.08611	39.5
109.06516	8.1
109.10142	20.4
111.04443	9.9
111.08060	8.4
117.06991	6.8
119.08615	27.1
121.10114	43.3
123.08064	13.3
123.11711	7.9
125.09640	5.4
131.08597	10.4
133.10139	16.5
135.08031	9.4
135.11644	16.0
139.11195	11.8
145.10101	14.1
147.11708	50.7
149.13245	13.8
151.11140	7.9
152.06242	5.4
161.13226	8.0
163.11147	8.7
165.12793	23.0
167.14177	6.3
175.11090	6.4
179.14297	7.0
179.83553	4.4
207.13855	6.6
241.19467	6.3
249.21996	7.7
259.20639	19.3
276.11337	5.7
277.21646	80.6
291.19559	9.5
309.24188	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
53.64659	0.8
55.01870	7.1
55.05508	21.4
57.03442	5.4
57.07079	4.8
59.05017	1.0
65.03928	0.8
67.05504	20.2
69.03451	4.5
69.07067	28.7
69.15114	0.7
69.27106	0.8
69.58649	1.5
69.59059	4.2
70.07404	0.9
71.04989	4.0
71.08633	2.3
72.88842	0.7
73.06555	1.3
77.03971	0.8
79.05492	15.0
81.03410	5.0
81.07053	43.6
82.07367	1.5
83.04968	3.9
83.08617	12.9
84.01607	0.6
85.02917	1.5
85.06544	9.8
88.89077	0.7
91.05479	11.3
93.07037	19.0
94.49828	0.9
95.04964	5.7
95.08604	33.2
96.08907	0.8
97.06511	5.3
97.10170	18.6
98.98437	5.1
99.04430	1.1
99.08092	10.3
103.05472	1.9
105.07025	10.6
107.04954	27.7
107.08585	15.9
109.02866	5.6
109.06502	4.4
109.10152	20.8
111.08076	27.2
111.11739	2.6
113.06034	1.5
117.07017	3.0
119.04956	2.0
119.08587	9.0
121.02819	1.2
121.06513	2.0
121.10140	11.7
123.04446	2.6
123.08052	3.8
123.11693	11.2
125.09647	10.2
127.07541	2.4
129.06992	2.5
131.04904	9.4
131.08553	4.0
133.06491	1.5
133.10121	4.6
135.04378	2.6
135.08055	3.2
135.11714	6.0
137.06084	1.1
137.09624	5.6
137.13251	6.4
139.11211	1.8
141.06990	1.4
143.08546	1.6
143.10670	6.1
144.05692	1.4
145.06517	4.4
145.10138	3.5
147.04398	6.3
147.08041	1.6
147.11682	3.1
149.09563	2.0
149.13248	5.2
151.11176	3.4
151.14806	1.0
153.12756	1.8
154.07835	0.9
155.08557	1.4
155.10706	1.2
157.06500	2.1
157.10153	1.5
159.04459	3.3
159.11736	1.1
161.09668	1.3
161.13257	2.7
163.07468	0.9
163.11148	1.1
163.14819	2.0
165.07027	2.3
165.09157	0.9
165.12820	1.2
167.08582	2.2
167.14336	1.1
169.06523	1.5
169.10150	2.0
171.08029	2.6
171.11624	1.2
173.13257	1.1
175.14795	1.9
177.12785	1.2
177.16368	2.0
178.07713	2.0
179.08557	7.1
179.10577	1.2
179.14264	1.0
181.06480	2.1
182.07265	5.1
183.08093	2.6
183.13863	1.0
185.05939	1.1
189.11221	1.5
189.12785	1.0
189.16277	1.0
191.17923	0.9
193.12253	0.9
194.07413	0.8
195.08105	0.8
197.05963	1.1
197.09578	5.3
199.07564	3.1
207.08034	5.5
210.06725	5.9
211.07489	3.1
217.15916	1.3
217.91942	0.8
221.15294	1.0
223.07579	0.9
224.08252	1.0
225.09102	8.9
233.56079	0.9
234.06749	1.7
235.07515	3.2
236.08038	0.9
239.06995	1.9
241.08714	1.3
249.09100	1.8
251.07063	1.1
253.08592	100.0
253.41644	1.0
254.08943	7.6
255.17404	1.1
263.20062	1.7
266.09491	1.2
267.10294	0.9
273.18582	4.4
277.08521	1.9
281.11737	2.8
291.10123	1.1
291.19601	7.1
291.23267	1.8
291.26611	5.7
292.22766	0.8
309.07635	2.6
309.11185	12.8
309.14850	16.4
309.20474	5.4
309.24203	2.0
309.27637	5.8
310.11719	1.2
310.15152	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2206
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.40663	4.0
53.03936	11.2
55.01855	13.1
55.05509	22.0
55.51987	4.4
57.03418	7.1
57.07057	6.1
65.03928	4.4
65.21991	3.5
67.05495	49.0
69.03425	4.6
69.07063	32.9
69.89252	4.0
71.04996	4.6
79.05481	42.2
81.03406	6.7
81.07056	62.6
83.04971	8.8
83.08590	14.4
86.96440	4.0
91.05479	53.6
93.07036	69.1
95.04957	53.6
95.08604	59.8
97.06508	23.3
97.10156	6.6
99.04472	4.2
101.11131	4.1
103.05384	3.9
103.46587	4.3
105.06387	7.3
105.07028	94.3
107.04923	8.8
107.08582	43.8
109.06493	17.9
109.10168	37.5
111.04434	11.3
115.05421	5.5
117.07020	21.6
119.08577	63.1
121.06446	10.5
121.10128	100.0
123.08051	12.6
123.11664	10.5
125.09566	4.5
128.06210	9.6
129.06989	12.9
130.07761	4.9
131.08592	29.3
133.10112	43.0
135.08028	13.9
135.11690	16.6
137.09607	16.0
139.11185	6.3
141.06984	9.6
142.07741	16.3
143.08562	37.6
144.09354	7.0
145.10104	55.6
147.07994	8.6
147.11690	13.9
149.09596	5.4
149.13210	5.0
149.43460	4.6
154.07765	7.6
155.08530	11.6
156.09363	11.9
157.10120	37.9
158.10867	6.0
159.11688	38.5
161.09570	10.0
161.13234	8.4
163.11108	6.7
167.08611	6.0
168.09312	5.3
169.10138	22.7
170.10928	10.1
171.11693	15.9
173.13249	14.7
175.14816	7.9
179.08585	4.3
181.10130	6.1
182.10884	6.2
183.11652	20.5
185.13261	12.4
187.11150	9.4
187.14766	15.0
193.10130	8.2
195.11703	11.7
197.13252	12.7
199.14856	9.6
206.10945	6.4
207.11659	7.0
209.13193	11.3
211.14737	9.1
213.16264	5.4
220.12343	4.2
221.13290	6.8
223.14763	10.5
225.16437	12.9
235.14825	9.3
248.04280	4.4
262.52426	4.6
265.19519	8.3
273.18469	5.7
281.22452	9.7
291.19470	12.8
296.04840	4.2
305.76315	3.9
309.11121	5.5
309.22058	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03960	6.6
55.01869	9.5
55.05508	53.3
56.44294	5.3
57.03418	20.4
59.12576	4.3
59.81565	5.4
60.52045	4.5
67.05502	100.0
69.07060	13.2
69.73243	39.1
79.05492	44.4
81.07053	61.0
83.04971	8.9
83.08599	16.1
85.06532	5.7
91.05464	17.5
93.07040	49.6
95.04951	6.4
95.08600	40.3
97.06495	11.3
97.10176	37.4
104.24512	4.9
105.07010	15.2
105.94549	4.8
107.08588	47.7
109.06577	5.6
109.10143	76.9
115.53503	5.5
119.08556	12.0
121.10098	27.9
125.09644	55.9
131.08545	8.1
133.10106	15.0
135.08032	17.5
135.11664	30.4
137.09647	6.0
145.10120	11.1
147.11690	10.1
149.13242	18.9
151.11148	5.4
153.09071	7.8
163.11224	5.7
171.37257	5.5
179.14291	8.0
203.12747	19.3
217.95042	5.3
259.20636	11.4
277.21667	49.6
281.74570	5.0
291.23221	7.8
309.20901	5.5
309.24249	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.52969	2.6
53.03928	8.0
55.01872	14.7
55.05505	54.3
57.03436	18.4
65.03921	3.7
67.05173	4.4
67.05503	57.5
69.03414	6.4
69.07057	22.4
70.71172	8.4
70.81973	3.3
71.04976	11.9
79.05490	56.2
81.03412	18.8
81.07052	100.0
81.13429	3.0
83.04967	13.8
83.08609	33.5
84.61162	2.7
85.06525	8.8
91.05473	44.6
93.06477	4.5
93.07035	70.6
95.04956	24.8
95.08598	40.5
97.06515	10.7
97.10166	28.5
99.08142	4.5
105.07034	26.6
107.04935	14.7
107.08585	29.0
109.06525	24.7
109.10168	19.4
111.04414	10.4
111.08070	7.5
113.05968	8.3
117.07011	12.0
119.08572	21.1
121.06472	8.1
121.10122	17.8
123.04419	4.2
123.08050	31.8
123.11710	4.2
125.09620	32.8
129.06929	4.8
130.07724	3.5
131.08553	15.4
133.06448	3.8
133.10121	20.2
135.08049	14.8
135.11693	6.9
137.09599	15.3
143.08507	5.8
145.10155	18.2
147.08038	6.7
147.11678	9.6
149.09557	9.0
149.13293	4.1
151.11142	7.6
153.09053	5.6
153.12718	4.5
157.10175	5.1
159.11700	5.2
163.11180	15.7
163.75792	3.0
165.09102	9.6
169.10081	3.4
171.11656	3.6
173.13216	5.6
175.11163	6.8
181.12094	3.4
187.11206	3.3
189.11229	19.0
193.12286	8.2
195.13788	3.3
217.15837	4.0
218.53662	3.3
235.16827	4.6
245.18970	4.0
255.17493	5.1
273.18500	19.8
291.19543	59.3
309.20557	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03948	2.5
55.01867	7.0
55.05508	19.7
56.96548	1.9
57.03432	26.8
57.07060	2.2
59.56667	1.3
65.03945	3.7
67.05502	48.3
68.60416	1.2
69.03429	7.0
69.07065	15.3
70.71533	4.5
71.04989	11.2
79.05490	25.5
81.03433	4.2
81.07053	31.4
83.04975	2.9
83.08620	8.8
85.02919	1.4
85.06538	24.9
91.05472	21.8
93.07043	35.8
93.87871	1.3
95.04962	31.8
95.08604	44.9
97.06537	5.2
97.10166	5.9
98.97559	1.8
99.08064	2.5
105.07026	12.2
107.04947	6.4
107.08586	18.4
109.06522	10.4
109.10154	25.7
111.04434	1.8
111.08076	5.7
113.05998	100.0
117.07001	7.6
119.08582	20.4
121.06461	2.2
121.10136	7.8
123.08080	6.4
123.11716	4.6
125.09622	5.9
128.06192	1.9
129.07014	3.9
131.08571	9.3
133.06516	2.5
133.10136	5.1
135.08031	12.6
135.11691	6.3
137.02280	1.9
137.09610	23.0
139.07545	3.6
143.08556	4.4
145.06494	1.6
145.10101	8.0
147.08069	7.3
147.11676	3.4
149.09596	3.9
149.13263	2.6
153.12695	1.6
155.10652	6.5
157.10149	4.7
159.08015	2.7
159.11676	2.7
161.09628	4.8
161.13249	2.1
163.11168	2.3
165.06937	1.3
165.09059	6.8
171.11623	2.2
171.33621	1.4
173.05873	1.3
173.11823	2.0
173.13263	1.8
177.12822	1.6
181.12332	1.7
183.11662	1.8
189.11241	3.2
198.06093	1.4
199.14854	2.4
211.07379	1.8
217.15892	6.2
227.17944	1.5
239.07019	2.4
245.18907	1.6
255.17432	2.8
266.05731	1.6
273.18478	15.2
277.08630	1.4
281.11725	3.2
291.19528	26.1
291.22964	2.8
308.21655	1.4
309.11227	14.1
309.20599	22.6
309.27808	1.7
319.79227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03951	3.5
53.42400	2.2
55.01860	3.9
55.05508	21.9
67.05511	28.5
69.07059	7.2
69.82478	7.5
69.82904	6.1
73.46342	2.0
79.05499	42.1
81.07045	17.1
83.04986	2.6
83.08625	10.8
91.05489	20.9
93.07052	19.1
95.04974	8.6
95.08617	15.5
97.10177	9.7
105.07016	9.1
107.04958	100.0
107.08603	18.9
109.10163	17.4
117.07021	10.6
119.08576	23.1
121.10172	4.7
123.08064	3.8
125.09626	7.7
129.06967	2.8
131.08585	7.6
133.10132	2.6
135.08063	37.7
135.11742	3.8
137.09604	8.9
145.10139	8.4
147.08046	7.7
149.09616	3.8
155.10655	2.1
157.10094	3.0
157.41991	1.9
159.10178	2.2
159.11623	2.4
165.09218	2.8
171.11700	2.2
173.11734	17.4
175.11232	2.4
189.11203	3.4
205.14206	2.4
245.19252	2.3
255.17583	2.4
273.18503	13.8
275.76950	2.4
291.19577	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	4.5
53.22681	4.4
55.01863	15.7
55.05505	43.4
57.07059	5.1
67.05500	41.1
69.03431	7.1
69.07063	21.7
69.91029	25.1
71.04981	6.0
79.05494	31.5
81.03384	4.4
81.07056	54.6
83.04968	14.6
83.08612	16.8
90.19726	4.1
91.05483	35.7
93.07046	37.4
93.44263	4.3
95.04961	19.0
95.08607	29.9
95.96531	5.5
97.06506	11.4
97.10174	19.7
98.20792	4.4
98.25800	4.3
99.08102	4.1
105.07038	20.3
107.04937	19.6
107.08598	23.8
109.06526	4.4
109.10141	21.1
111.04435	15.6
111.08037	9.1
113.05981	4.3
117.07060	6.7
119.08588	16.1
121.06499	7.8
121.10156	16.7
123.08047	11.5
125.09631	16.5
129.07016	4.5
131.08554	9.9
133.06450	6.5
133.10118	15.5
135.08054	8.7
135.11668	9.9
137.09621	11.7
143.08559	5.4
145.10112	12.4
147.08023	5.1
147.11633	5.8
149.09612	6.0
151.11189	4.9
161.09637	4.6
163.11224	5.1
165.09091	7.8
173.11807	5.1
175.11169	5.5
179.32248	3.7
185.13176	4.5
189.11177	8.4
189.12772	5.4
273.18533	21.2
289.08261	4.6
291.19531	100.0
309.20706	14.8
309.24164	6.0
310.01111	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03930	7.9
55.01867	35.5
55.05512	68.2
57.03424	7.9
57.07057	7.1
65.03942	8.7
67.05165	9.1
67.05502	100.0
69.03401	10.3
69.07070	44.3
69.90388	33.5
71.04977	10.7
79.05495	67.2
81.03424	11.8
81.07054	90.8
81.30855	6.1
82.07388	6.5
83.04980	48.2
83.08618	28.7
91.05489	50.7
93.07044	70.0
94.07363	8.2
95.04955	26.1
95.08602	61.9
97.06548	31.7
97.10166	33.9
99.04461	22.2
105.07007	25.2
107.04984	29.1
107.08578	48.5
108.08951	9.3
109.06502	11.1
109.10156	41.9
111.04443	80.2
111.08076	9.8
113.06028	9.3
117.07011	11.7
119.08566	30.5
121.06491	7.5
121.10157	32.1
123.08044	19.6
125.09619	25.1
129.06985	7.2
131.08551	16.7
133.10153	16.6
135.08037	18.8
137.05992	6.7
137.09592	22.6
139.11182	25.9
145.10117	15.4
147.08037	11.4
147.11693	9.1
149.09621	16.1
151.07538	8.0
151.11278	7.0
153.09164	15.4
159.11676	6.6
161.09561	8.7
161.13264	6.4
163.11195	9.5
165.09114	14.3
167.10635	9.4
171.11694	5.9
173.11714	5.9
175.11128	8.1
193.12238	12.3
206.16618	5.7
245.19067	11.7
251.44080	6.0
255.17526	7.1
263.20001	9.0
273.18478	32.8
277.20758	15.2
291.19571	82.0
291.22601	11.3
292.19962	8.5
309.20520	25.1
309.24188	22.3
329.02307	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.50473	6.0
53.03968	5.2
55.01871	32.3
55.05513	29.4
57.03448	8.1
58.30371	4.8
67.05501	44.0
69.07053	27.3
69.97688	29.3
79.05488	39.7
81.07052	70.5
83.05000	26.7
83.08617	12.7
85.02903	7.2
91.05479	32.5
93.07035	34.9
95.04949	26.0
95.08633	20.2
97.06538	24.3
97.10181	19.2
99.04485	6.0
101.85917	5.5
104.94446	5.7
105.07045	23.2
107.04980	13.8
107.08601	23.4
109.06554	23.2
109.10181	19.8
111.04440	50.1
111.08083	10.8
113.06046	15.3
117.07037	21.7
119.08578	28.2
121.06561	6.6
121.10161	14.5
123.08083	8.4
125.09642	15.3
129.07018	6.8
131.08571	15.3
133.10132	5.5
135.08092	17.4
135.11728	15.1
137.09659	8.6
139.11130	9.5
143.08661	7.9
145.10138	10.7
147.08055	14.1
147.11803	5.0
149.09674	11.0
153.09180	7.0
153.12750	11.1
157.10127	11.2
159.11687	5.7
161.09650	5.6
163.11235	14.1
165.09081	7.0
169.10112	6.6
181.12250	12.8
189.11383	9.7
191.10664	12.2
203.12646	5.3
223.13342	5.8
249.15044	7.5
273.18417	35.8
291.19559	100.0
309.20786	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03948	8.7
55.01874	53.1
55.05508	57.4
57.03419	7.9
67.05500	100.0
69.07072	43.2
70.19315	34.3
71.04985	9.6
79.05485	58.0
81.03413	7.8
81.07048	84.5
83.01349	7.9
83.04974	38.9
83.08617	20.7
85.06526	10.5
91.05483	67.0
93.07044	72.4
95.04973	30.9
95.08611	53.6
97.06538	30.4
97.10175	13.8
99.04432	10.0
105.07018	52.9
107.04954	20.8
107.08593	37.7
109.06511	16.2
109.10149	55.4
111.03791	6.9
111.04437	40.8
111.08045	16.4
117.07011	12.5
119.08584	24.1
121.06526	15.4
121.10143	24.6
123.08061	10.4
125.09609	10.8
125.20645	6.8
129.07042	12.4
131.08594	15.7
133.06490	14.8
133.10135	57.2
135.08061	19.1
135.11716	6.9
137.09634	20.0
139.07489	10.1
145.10187	7.4
147.08064	13.1
147.11565	8.5
149.09599	13.8
151.11189	31.3
153.09109	13.3
161.09637	15.2
163.11229	8.6
175.11208	11.9
177.09105	7.1
200.04881	6.8
203.14343	8.6
207.67154	7.9
245.19048	20.7
263.20093	28.5
273.18604	48.9
291.19516	89.6
309.20563	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	4.6
55.01881	16.1
55.05517	18.7
57.03441	38.0
65.03952	2.7
67.05506	46.4
69.03441	3.0
69.07069	11.3
70.10576	11.6
71.04994	6.0
79.05498	24.8
81.03414	6.3
81.07056	28.8
83.04970	11.7
83.08624	5.4
85.06549	30.8
91.05482	27.1
93.07042	28.0
95.04975	36.5
95.08603	22.2
97.06525	6.5
97.10188	4.4
98.21451	3.6
99.04459	5.3
105.07032	18.4
107.04972	13.8
107.08596	17.1
109.06515	42.6
109.10152	11.6
111.04440	32.1
113.06003	100.0
117.07026	12.3
119.08581	16.6
121.10171	12.2
123.08098	7.2
123.11662	2.9
125.09637	8.1
129.06993	5.6
131.08566	14.3
133.10150	8.0
135.08073	37.8
135.11679	5.5
137.09628	6.6
143.08575	4.5
145.10129	7.1
147.08060	3.1
149.09633	9.4
153.09138	6.7
157.10138	5.4
159.11674	4.7
161.09619	7.4
163.11179	4.6
165.09032	3.1
193.12285	3.5
199.14832	3.0
217.15919	12.1
219.13815	2.7
263.20139	4.3
273.18546	17.1
291.19540	43.3
309.11121	5.0
309.20612	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03926	3.6
55.01863	4.8
55.05507	21.3
61.28842	2.2
67.05502	28.5
69.03422	4.8
69.07057	6.5
70.71165	7.9
79.05069	3.3
79.05493	41.9
81.07053	16.4
83.04957	2.7
83.08599	7.2
91.05505	17.9
93.07052	19.4
94.69039	2.3
95.04956	6.6
95.08583	8.8
97.10158	14.2
101.07954	2.0
105.07011	10.6
107.04951	100.0
107.08607	18.2
109.10146	16.8
117.07001	7.7
119.08569	21.0
121.06488	3.7
121.10116	6.4
125.09591	11.3
129.07039	2.7
131.08548	8.5
135.08043	45.7
135.11728	2.4
137.09602	6.9
143.08488	4.0
145.10141	7.8
147.08052	8.1
149.09666	4.7
151.37633	2.1
157.10170	4.3
161.09615	3.3
165.09171	2.5
171.11687	4.2
173.11774	14.8
175.11234	2.8
217.33217	2.3
243.87212	2.0
270.93686	2.1
273.18564	17.4
291.19553	17.1
309.16064	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	5.9
55.01875	28.1
55.05508	36.8
57.03427	4.3
66.28112	4.0
67.05499	56.1
69.03403	4.3
69.07047	23.7
69.27568	41.9
70.04083	3.9
71.04968	5.0
79.05488	67.9
81.03406	8.7
81.07056	46.5
81.17771	4.6
83.04961	16.2
83.08611	16.0
91.05470	40.5
93.07035	38.0
95.04968	15.9
95.08600	35.6
97.06516	16.6
97.10139	19.4
99.04439	4.5
105.07011	24.7
107.04948	100.0
107.08598	31.2
109.06499	5.8
109.10168	28.0
111.04436	17.7
111.08054	4.7
115.05421	5.6
117.07024	13.9
119.08588	32.2
121.06518	6.9
121.10139	17.3
123.08065	12.0
125.09588	18.8
129.06976	5.8
131.08563	16.5
132.87720	4.0
133.10138	9.4
135.08057	42.2
135.11676	4.7
137.09607	22.0
140.53212	4.0
143.08513	6.2
145.10086	19.7
147.08035	13.8
147.11630	6.6
149.09619	11.7
157.10030	4.4
161.09636	3.9
163.11151	4.9
165.09077	7.2
171.11555	4.3
173.11790	19.8
183.11858	4.3
189.11203	9.8
193.12407	5.4
211.19437	3.9
225.24675	4.0
234.23582	4.3
255.99158	4.1
263.20285	5.5
273.18530	22.3
291.19528	64.6
294.08688	5.8
309.11127	14.9
309.20786	10.5
309.24188	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.44114	9.7
53.42111	9.5
54.81366	10.8
55.01877	27.0
55.05507	77.4
57.03434	36.9
59.05001	17.0
67.05511	96.6
67.49630	10.6
67.82373	9.7
69.07081	34.9
70.09713	52.7
71.05023	11.6
73.33356	11.4
76.71642	11.0
78.86102	10.1
79.05498	87.9
81.07051	100.0
81.57555	10.0
83.04991	21.6
83.08637	26.6
91.05465	85.3
93.07032	76.5
94.42425	12.2
94.71236	10.9
95.04990	40.3
95.08589	72.5
97.06558	19.3
97.10190	22.8
99.04502	11.4
105.07031	73.4
107.04974	40.0
107.08604	58.4
109.06537	29.4
109.10142	57.8
111.04423	58.4
113.06075	12.4
117.07014	44.7
119.08590	51.2
121.06538	19.1
121.10146	26.9
123.08028	19.8
124.75269	10.0
125.09682	18.1
129.07100	10.9
131.08565	33.7
133.06528	24.7
133.10155	28.9
133.62074	11.8
135.08061	32.3
137.09631	41.0
138.84575	11.3
143.08600	25.0
145.10072	14.7
147.08055	10.1
149.09598	13.6
153.09201	12.8
157.10173	19.7
159.11821	13.2
161.09564	19.2
182.49232	15.3
267.40622	12.4
273.18466	70.8
291.19583	92.4
309.11115	52.3
309.20663	13.5
310.11572	15.3
334.09958	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.112
Annotation	Moracin D
Peak:m/z	Relative Intensity
50.91952	0.4
53.03944	0.6
55.01877	1.8
55.05513	3.3
57.03430	0.5
57.07059	1.5
61.79232	0.4
65.03919	0.8
67.05508	4.9
68.44753	0.3
68.99788	2.6
69.03419	1.4
69.07063	5.1
70.18885	0.4
71.04994	0.9
71.08642	0.5
79.05487	2.3
81.03423	2.7
81.07057	7.9
83.03529	0.4
83.08623	2.1
85.06532	0.9
91.05471	2.4
93.04693	0.4
93.07035	3.5
95.04979	2.0
95.08054	0.6
95.08607	7.7
97.06530	1.2
97.10151	1.2
98.98463	0.5
105.07020	3.2
107.04951	2.7
107.08559	2.7
109.02870	0.6
109.06506	0.8
109.10160	4.9
111.08088	4.1
111.11691	0.5
115.05440	1.0
117.06963	1.0
119.04926	1.6
119.08610	1.9
121.06505	1.1
121.10156	1.9
123.04427	18.3
123.08040	0.9
123.11687	3.5
125.09622	0.8
127.03918	6.5
128.06224	2.7
129.06985	1.6
131.04919	0.7
131.08530	1.0
133.06502	0.6
133.10136	1.1
135.04446	0.5
135.11713	1.1
137.02338	19.1
137.05946	0.7
137.09569	1.4
137.13242	1.4
139.07504	0.6
139.11194	0.6
141.06981	1.6
142.78767	0.4
143.08554	3.3
143.10509	0.4
144.05701	0.6
145.06488	1.8
145.10182	0.7
147.04407	3.9
147.11665	0.6
149.02347	0.9
149.06000	0.4
149.13217	0.8
151.11177	0.9
152.06216	0.8
153.06984	1.5
153.12755	0.7
155.08572	1.8
157.06470	2.1
158.07257	0.9
159.08073	1.7
161.05963	1.0
161.13220	0.6
163.14902	0.5
165.07011	3.3
165.09096	0.4
165.12761	0.4
165.16402	0.4
168.05586	0.6
169.06461	1.1
169.10178	0.7
171.04353	0.7
171.08076	5.5
172.08755	1.1
173.05945	1.1
174.06708	0.5
177.16347	0.4
178.07825	1.4
179.08548	1.5
181.06477	3.1
182.07225	1.4
183.07993	2.5
183.13831	0.6
184.05238	0.7
185.04451	0.6
185.05981	7.6
186.06671	0.7
187.07652	0.5
191.08548	0.6
191.17880	0.4
192.09348	1.4
193.06520	0.9
193.10126	1.6
194.07205	0.6
195.08067	1.3
196.08823	0.9
197.05957	2.6
197.09627	1.1
198.06746	2.0
199.07535	6.6
200.08311	2.0
202.07733	2.1
203.08440	0.7
205.06488	0.8
206.07266	1.1
207.08049	1.5
207.11684	0.6
210.06772	1.6
211.07553	10.9
211.11061	2.9
213.05365	0.5
213.48912	0.4
217.10147	1.2
219.08072	1.2
220.08818	2.0
221.05975	1.2
221.09616	2.8
223.07535	2.7
224.08315	1.6
225.05441	1.3
225.09067	2.0
226.06226	8.6
227.06937	0.8
231.08018	1.7
234.06767	1.7
235.07608	2.1
235.11148	2.7
237.05408	0.9
237.09058	0.9
238.06224	1.1
238.09947	1.2
239.07028	24.0
239.10580	2.6
240.07579	0.8
241.04984	0.8
242.05692	1.2
245.09563	2.8
247.07599	2.4
248.08344	7.8
249.09081	2.7
250.06165	0.4
251.07056	4.5
252.07829	2.9
253.05005	1.3
253.08662	2.2
253.12209	1.5
255.06503	5.1
258.06659	0.5
262.06250	0.6
263.07120	0.8
263.10657	5.5
264.11163	0.5
265.08627	1.6
266.05786	3.9
266.09372	6.7
267.06519	4.3
267.09924	0.8
271.76865	0.4
273.09149	0.8
276.07770	2.9
277.08533	2.6
279.06537	7.1
280.07275	2.9
281.08536	1.0
281.11710	27.9
282.11978	0.8
286.97614	0.5
291.10162	5.1
291.19659	0.8
291.22937	0.4
291.26917	0.9
293.08087	3.4
294.08871	7.6
295.09293	0.8
309.11203	100.0
310.11572	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.112
Annotation	Moracin D
Peak:m/z	Relative Intensity
55.01867	1.6
55.05503	1.4
57.03410	1.0
67.05505	5.7
68.99780	2.6
69.03420	1.1
69.07045	1.0
71.04910	2.0
71.13721	0.6
72.18060	0.7
79.05489	1.8
81.03419	3.5
81.07047	2.1
82.52467	0.7
83.08639	0.6
91.05462	2.5
93.07053	4.3
95.04954	1.8
95.08596	10.1
95.30206	0.6
105.07016	1.6
107.04940	2.1
107.08592	0.7
109.10159	3.7
109.42049	0.6
111.08065	0.8
115.05473	0.7
117.07003	0.7
119.04921	0.8
119.08575	3.0
123.04420	20.3
125.17786	0.6
127.03911	7.4
128.06215	3.3
128.90059	0.7
129.06961	1.5
133.10080	0.7
135.07974	0.8
137.02339	18.9
137.03423	0.9
137.09607	6.1
141.06964	2.7
143.08568	2.0
145.06471	1.5
145.10031	0.7
147.04401	1.8
147.08049	1.0
152.06122	1.5
153.06973	2.2
155.08519	1.8
155.10667	1.7
157.06491	2.1
159.08037	1.5
160.05077	0.8
161.05965	1.4
161.09586	0.7
165.07007	4.1
165.09079	1.0
168.05736	0.9
169.06508	2.1
171.04323	0.6
171.08061	4.6
172.08789	1.1
173.05939	1.2
178.07794	1.9
179.08549	2.2
181.06427	3.3
181.10117	0.8
182.07199	1.7
183.08002	3.0
185.05923	2.3
191.08440	1.4
192.09331	1.3
193.06494	1.0
193.10135	2.3
195.08127	0.8
195.11609	0.7
197.06012	3.1
197.09532	0.7
198.06764	2.4
199.07527	5.6
202.07771	1.8
203.08447	1.0
207.08049	1.6
208.08867	0.9
209.06047	1.1
210.06810	1.3
211.07542	13.1
211.11075	5.0
217.06448	0.6
217.10219	1.1
219.07974	1.2
220.08820	2.6
221.05966	2.0
221.09607	3.6
222.06659	0.8
223.07553	1.8
224.08405	1.6
225.05508	1.0
225.09053	2.3
226.06238	10.0
227.07001	1.5
231.08009	1.8
234.06888	1.0
235.07504	1.8
235.11249	3.0
237.05463	1.6
237.09090	1.2
238.06340	1.2
238.09883	1.6
239.07021	33.7
239.10725	2.7
240.07553	1.1
241.04956	0.9
242.05664	1.4
245.09662	2.4
247.07553	2.1
248.08313	6.6
249.09090	3.7
251.07053	5.6
252.07794	5.0
253.05051	1.5
253.08406	3.2
253.12248	2.2
255.06505	8.8
263.07901	0.9
263.10638	5.6
265.08575	1.5
266.05737	6.0
266.09372	8.4
267.06531	5.4
267.10001	1.3
276.07806	3.4
277.08350	0.7
279.06491	10.5
280.07297	2.3
281.08453	1.2
281.11703	34.3
291.10159	6.0
291.19586	1.3
293.08047	3.0
294.08829	9.5
309.11185	100.0
309.20493	4.9
310.11496	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1119
Annotation	Moracin D
Peak:m/z	Relative Intensity
55.01872	1.9
55.05307	0.3
55.05505	3.8
57.03412	0.6
57.07059	1.5
59.04968	0.4
61.98553	0.3
65.03941	0.6
67.05174	0.5
67.05504	6.8
68.99796	2.4
69.03420	1.7
69.07065	7.6
69.69985	1.7
69.70390	0.7
71.01330	0.4
71.04971	1.0
71.08624	1.0
79.05488	3.2
81.03410	3.3
81.07055	8.9
83.04992	0.7
83.08611	2.9
83.77926	0.3
85.06548	1.9
91.05474	3.2
93.07040	4.5
95.04951	2.9
95.08606	9.5
97.02903	0.3
97.06520	1.4
97.10146	1.6
98.20854	0.7
98.21422	0.4
98.98482	0.6
99.04443	0.5
99.08071	0.7
103.05442	0.4
105.07033	3.3
107.04955	2.3
107.08580	3.6
109.02884	0.6
109.06483	0.8
109.10147	6.0
111.04418	0.5
111.08072	5.0
111.11713	0.7
112.33928	0.4
115.05451	1.2
117.07008	1.0
119.04912	2.1
119.08581	2.8
121.02875	0.5
121.06500	1.1
121.10141	2.1
123.04421	17.9
123.08049	1.3
123.11700	4.3
125.09621	1.4
127.03908	6.8
128.06224	2.8
129.07037	2.0
131.04895	0.7
131.08534	1.0
133.06461	0.5
133.10124	1.6
135.04413	0.7
135.08061	1.0
135.11687	2.0
137.02333	17.6
137.05898	0.8
137.09595	1.8
137.13223	1.5
139.07530	0.9
139.11169	1.0
141.07005	1.8
142.07787	0.5
143.08524	2.9
144.05753	0.4
145.06506	2.2
145.10117	0.6
147.04393	3.8
147.08012	0.5
147.11684	0.9
148.10840	0.4
149.02295	0.5
149.05936	0.5
149.09648	0.5
149.13243	1.1
149.55206	0.4
151.07431	0.5
151.11182	0.7
152.06192	1.4
153.06985	1.7
153.12744	0.8
154.07788	0.4
155.08546	1.3
157.06473	2.0
157.10103	0.6
158.07251	1.0
159.08040	1.0
161.05928	1.0
161.09624	0.4
161.13243	0.6
163.14825	0.6
165.06987	3.4
165.09093	0.9
165.12651	0.5
167.08543	0.4
168.05650	0.6
169.06477	1.6
169.10164	0.5
171.04425	0.7
171.08040	5.5
171.11627	0.5
172.08772	1.2
173.05957	1.2
173.09612	0.4
174.06708	0.3
175.07536	0.7
175.14795	0.4
177.16362	0.4
178.07736	1.1
178.57669	0.4
179.08582	1.6
179.10669	0.4
180.09299	0.4
181.06450	2.6
181.10078	0.4
182.07274	2.1
183.08086	2.1
183.13808	0.3
184.05125	1.0
185.05975	7.9
186.06711	0.6
190.07823	0.4
191.08575	0.5
192.09393	1.1
193.06490	1.0
193.10117	2.0
195.08041	0.9
195.11713	0.4
196.08913	0.8
197.05992	3.0
197.09650	1.0
198.06799	1.7
199.07539	5.4
200.08286	2.4
202.07744	1.6
203.08551	0.9
205.06525	0.7
206.07213	1.1
207.08102	1.0
207.11630	0.7
209.05965	0.9
209.09633	0.6
210.06729	1.5
211.05518	0.7
211.07547	12.2
211.11136	3.9
217.10118	0.9
218.07210	0.4
219.08029	1.1
220.08856	2.3
221.06075	1.8
221.09584	2.4
222.10242	0.5
223.07521	1.9
223.11172	0.5
224.08275	2.0
225.05446	0.8
225.08957	1.6
226.06210	10.0
227.06866	0.4
230.07018	0.4
231.07990	1.1
232.08839	0.4
233.06087	0.4
233.09505	0.4
234.06717	2.0
235.07642	1.8
235.11160	2.3
237.05475	0.9
237.09096	1.0
238.06305	0.8
238.09888	1.7
239.07024	23.7
239.10533	2.3
240.07500	0.7
241.04955	0.8
241.08357	0.3
242.05675	1.3
245.09660	2.8
247.07492	2.2
248.08298	6.4
249.09099	3.1
250.06340	0.4
251.07033	5.6
252.07777	3.0
253.04901	1.1
253.08614	2.2
253.12207	1.4
255.06505	5.3
261.09055	0.5
262.06305	0.7
263.07098	1.1
263.10645	5.2
264.11249	0.5
265.08545	2.0
266.05762	4.2
266.09357	7.4
267.06522	4.3
267.10086	1.1
268.06995	0.4
273.08936	0.7
273.18405	1.0
275.07108	0.4
276.07864	2.2
277.08597	2.6
279.06503	8.0
280.07370	2.9
281.11703	29.6
282.12097	1.1
291.10156	4.4
291.19568	0.8
291.23099	1.0
291.26834	1.1
292.10699	0.6
293.08084	3.1
294.08862	10.0
309.11194	100.0
309.27826	1.7
310.11630	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1121
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
53.03939	2.6
55.01869	7.9
55.05509	17.3
57.03432	8.2
57.07073	6.6
59.04991	5.9
65.03932	2.0
66.93246	1.0
67.05502	20.4
68.99786	1.3
69.03422	3.5
69.07067	24.1
71.04995	5.4
71.08633	1.6
71.58076	1.2
73.06570	1.3
79.05492	17.3
81.03417	5.7
81.07053	52.2
82.03007	0.9
83.04977	4.7
83.08612	11.8
85.02914	1.8
85.06536	8.2
91.05476	14.0
93.07038	17.6
95.04964	7.7
95.08605	37.0
97.06497	5.3
97.10155	9.2
99.04489	1.2
99.08087	21.1
103.05470	2.6
105.07025	12.8
107.04949	26.1
107.08595	15.2
109.02864	5.6
109.06511	15.6
109.10144	17.1
111.08076	15.5
111.08777	1.4
111.11732	1.4
113.06028	1.2
115.05433	1.3
117.07016	4.3
119.04944	3.5
119.08577	11.2
121.02885	1.6
121.06469	2.1
121.10155	10.5
123.04399	7.7
123.08082	3.6
123.11719	9.0
125.09649	4.1
127.03932	2.5
127.07549	3.9
127.11166	1.1
128.06213	2.3
129.07025	6.3
131.04912	6.8
131.08580	5.1
133.02831	2.3
133.06496	1.9
133.10135	6.0
134.03621	1.4
135.04440	3.0
135.08089	4.2
135.11673	6.1
137.02330	5.3
137.06029	2.3
137.09636	3.5
137.13245	3.2
139.11209	2.6
141.07042	2.6
142.07756	2.0
143.08562	2.8
143.10667	2.0
145.06514	4.4
145.10141	4.8
147.04417	14.3
147.08073	3.5
147.11659	5.4
149.01263	1.2
149.05923	2.1
149.09613	1.8
149.13211	5.5
151.11191	2.9
151.14856	1.2
153.07053	1.8
153.12764	1.9
155.08630	2.6
157.06529	4.0
157.10184	2.9
159.04410	3.6
159.08095	1.8
159.11710	3.2
160.05197	1.9
161.06004	1.9
161.13283	1.5
163.11224	1.7
165.07010	7.4
165.09103	2.0
165.12804	3.2
167.08542	2.0
169.10126	2.4
171.04501	2.8
171.08066	4.5
173.06013	5.0
173.09668	1.2
173.13243	1.3
175.07549	3.8
175.11162	1.9
175.14809	2.0
178.07784	2.3
179.08537	6.2
181.06384	5.6
182.07233	5.6
183.08017	5.5
185.06038	2.0
185.09691	1.1
187.07675	1.2
189.07011	2.1
191.08566	1.2
193.06567	1.2
193.10219	1.3
194.07249	1.4
195.08105	1.7
197.05978	3.9
197.09637	5.0
198.06750	1.7
199.07555	5.1
199.14861	1.2
202.07779	1.8
206.07317	1.4
207.08064	7.3
209.18855	1.2
210.06743	10.9
211.07524	12.6
217.10161	1.4
217.16039	1.7
219.07959	2.2
220.08762	1.5
221.06026	2.5
221.09651	2.1
223.07684	2.8
224.08385	3.1
225.09059	9.5
226.06236	10.1
227.03450	2.5
227.07066	4.4
231.08191	1.5
234.06830	3.0
235.07468	5.3
235.11156	2.5
237.05527	1.8
238.06297	3.6
239.07005	26.2
239.10722	2.3
241.05038	1.2
241.08693	1.2
242.05716	2.9
245.09627	3.1
247.07571	2.3
248.08334	4.0
249.09026	2.5
251.06995	3.8
252.07884	2.7
253.08592	81.9
255.06522	7.8
255.17311	1.4
263.10690	8.3
265.08606	1.7
266.05826	17.4
266.09412	7.8
267.06461	8.5
273.18567	4.8
273.25861	1.4
276.07831	1.7
277.08636	4.1
279.06607	4.3
280.07315	7.7
281.08224	5.0
281.11786	24.4
291.10193	7.4
291.19598	8.6
291.22812	1.8
291.26920	4.6
293.08228	1.6
294.08795	6.5
309.11264	100.0
309.14859	16.3
309.20715	4.2
309.27890	4.2
310.11374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1119
Annotation	Moracin D
Peak:m/z	Relative Intensity
53.12027	0.6
55.01859	3.0
55.05497	2.8
57.31041	0.7
65.03936	0.9
67.05505	4.8
68.99783	3.1
69.07053	2.2
70.10412	0.7
70.45589	2.9
70.57826	0.7
75.54298	0.7
79.05476	5.0
81.03401	1.3
81.07043	6.5
83.04963	1.1
83.08601	1.6
83.29639	0.6
91.05460	4.1
93.07024	3.0
95.04942	3.2
95.08601	1.9
97.06512	1.2
97.10152	1.0
99.64365	0.7
105.07027	3.3
107.04968	5.0
107.08563	2.3
109.06500	3.2
109.10136	0.9
111.04445	4.1
115.05452	1.4
117.07024	1.6
119.04905	1.1
119.08592	2.7
121.02842	0.9
121.06481	1.8
121.10136	0.9
123.04438	6.7
123.08085	1.1
125.09595	1.0
128.06230	1.8
129.06979	3.2
131.08521	1.4
133.02864	0.9
135.04375	1.2
135.08011	0.9
137.02313	1.4
137.09595	1.0
139.78079	0.7
143.08542	1.4
145.06430	1.5
147.04390	6.4
147.07993	4.4
149.02319	1.4
149.05902	1.1
152.06192	0.8
153.06966	2.6
155.08565	1.2
157.06451	1.8
159.08031	0.9
160.05159	2.1
161.05948	6.0
161.09569	1.1
165.06956	2.4
169.06502	1.1
171.04433	2.0
171.08046	3.0
172.08807	1.2
173.05997	1.7
175.07550	10.3
178.07785	0.9
181.06447	2.1
182.07224	0.8
183.08046	1.7
184.05159	1.1
185.06021	0.9
195.08064	1.0
196.08728	0.8
197.05963	7.0
198.06804	1.3
199.07503	7.1
200.08328	0.9
202.07655	1.3
206.07275	0.9
207.08206	0.9
210.06738	1.8
211.07520	5.2
220.08763	0.9
221.05977	2.7
221.09438	0.9
223.07521	1.2
224.08264	1.8
225.05489	1.4
225.08969	1.4
226.06224	19.7
235.07542	0.9
235.11052	1.6
237.05528	1.6
239.07018	9.0
239.10674	1.5
242.05690	2.3
245.09654	3.5
246.80917	0.7
247.07707	1.6
248.08327	4.2
249.08963	1.8
250.06248	1.8
251.07057	1.0
252.07738	1.1
253.04973	7.1
253.08574	1.2
253.12151	2.2
254.05859	0.9
255.06555	1.6
263.10608	6.6
265.08636	1.3
266.05734	7.7
266.09363	2.3
267.06525	11.3
267.09753	1.6
273.18478	1.3
276.07581	1.5
277.08469	2.8
279.06525	5.4
280.07263	3.1
281.08322	1.7
281.11703	10.8
291.10101	10.2
291.19424	1.8
293.08105	3.4
294.08627	7.2
309.11172	100.0
310.11707	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70124	0.6
50.90230	0.6
50.99443	0.6
51.65064	0.5
53.03930	1.7
55.01857	0.8
55.05515	3.7
56.96564	0.9
57.03433	1.6
59.05056	0.6
61.02913	2.4
68.39601	0.7
69.03420	7.5
70.04065	2.4
71.04984	0.7
71.07646	1.9
73.02910	1.5
81.03409	3.1
82.06127	0.8
82.06577	13.7
84.08150	0.8
85.02903	16.3
87.04425	0.8
91.03945	0.7
97.02895	5.2
99.04455	1.0
100.07613	62.1
109.02884	1.4
114.09195	1.0
120.02010	1.1
120.95072	0.7
127.03897	4.3
128.07082	6.7
131.57657	0.6
142.08633	2.2
145.04973	2.1
146.08112	100.0
148.43163	0.6
163.03908	1.3
170.08090	1.1
188.09122	1.7
199.79497	0.6
256.35101	0.7
260.43808	0.6
272.11075	0.9
290.12317	0.8
308.10355	1.2
308.13312	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.5
56.96549	1.4
57.03424	1.9
61.02918	3.6
69.03432	6.4
69.91344	3.6
70.04060	1.8
70.06568	0.8
71.04974	0.7
73.02924	1.2
81.03423	3.3
82.06576	27.9
85.02901	16.1
87.04457	1.0
91.03943	1.1
97.02879	6.1
98.97572	1.5
99.04423	0.9
100.07612	39.2
101.01712	0.6
104.52242	0.6
109.02857	2.2
114.09159	1.0
116.98640	1.4
127.03877	4.5
128.07066	11.3
131.78619	0.7
142.08650	1.9
145.04933	3.3
146.08110	100.0
147.02213	1.5
147.08456	1.3
163.03882	1.3
177.00650	0.6
188.09181	2.3
244.11746	0.7
272.11438	0.9
308.13245	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05503	1.4
57.03410	1.0
67.05505	5.7
68.99780	2.6
69.03420	1.1
69.07045	1.0
71.04910	2.0
71.13721	0.6
72.18060	0.7
79.05489	1.8
81.03419	3.5
81.07047	2.1
82.52467	0.7
83.08639	0.6
91.05462	2.5
93.07053	4.3
95.04954	1.8
95.08596	10.1
95.30206	0.6
105.07016	1.6
107.04940	2.1
107.08592	0.7
109.10159	3.7
109.42049	0.6
111.08065	0.8
115.05473	0.7
117.07003	0.7
119.04921	0.8
119.08575	3.0
123.04420	20.3
125.17786	0.6
127.03911	7.4
128.06215	3.3
128.90059	0.7
129.06961	1.5
133.10080	0.7
135.07974	0.8
137.02339	18.9
137.03423	0.9
137.09607	6.1
141.06964	2.7
143.08568	2.0
145.06471	1.5
145.10031	0.7
147.04401	1.8
147.08049	1.0
152.06122	1.5
153.06973	2.2
155.08519	1.8
155.10667	1.7
157.06491	2.1
159.08037	1.5
160.05077	0.8
161.05965	1.4
161.09586	0.7
165.07007	4.1
165.09079	1.0
168.05736	0.9
169.06508	2.1
171.04323	0.6
171.08061	4.6
172.08789	1.1
173.05939	1.2
178.07794	1.9
179.08549	2.2
181.06427	3.3
181.10117	0.8
182.07199	1.7
183.08002	3.0
185.05923	2.3
191.08440	1.4
192.09331	1.3
193.06494	1.0
193.10135	2.3
195.08127	0.8
195.11609	0.7
197.06012	3.1
197.09532	0.7
198.06764	2.4
199.07527	5.6
202.07771	1.8
203.08447	1.0
207.08049	1.6
208.08867	0.9
209.06047	1.1
210.06810	1.3
211.07542	13.1
211.11075	5.0
217.06448	0.6
217.10219	1.1
219.07974	1.2
220.08820	2.6
221.05966	2.0
221.09607	3.6
222.06659	0.8
223.07553	1.8
224.08405	1.6
225.05508	1.0
225.09053	2.3
226.06238	10.0
227.07001	1.5
231.08009	1.8
234.06888	1.0
235.07504	1.8
235.11249	3.0
237.05463	1.6
237.09090	1.2
238.06340	1.2
238.09883	1.6
239.07021	33.7
239.10725	2.7
240.07553	1.1
241.04956	0.9
242.05664	1.4
245.09662	2.4
247.07553	2.1
248.08313	6.6
249.09090	3.7
251.07053	5.6
252.07794	5.0
253.05051	1.5
253.08406	3.2
253.12248	2.2
255.06505	8.8
263.07901	0.9
263.10638	5.6
265.08575	1.5
266.05737	6.0
266.09372	8.4
267.06531	5.4
267.10001	1.3
276.07806	3.4
277.08350	0.7
279.06491	10.5
280.07297	2.3
281.08453	1.2
281.11703	34.3
291.10159	6.0
291.19586	1.3
293.08047	3.0
294.08829	9.5
309.11185	100.0
309.20493	4.9
310.11496	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05503	2.0
56.05842	1.0
56.96560	62.5
57.03448	1.2
67.05510	2.7
69.03417	1.3
69.07068	1.1
69.33196	6.0
69.33614	3.1
70.04070	4.5
71.05003	1.1
71.95250	7.3
72.96053	3.0
74.30189	0.8
74.97605	1.7
79.05511	2.1
80.05849	0.8
81.07053	2.5
84.04484	1.0
84.96021	2.1
91.05474	1.6
93.07040	2.4
94.07408	0.9
95.04985	1.9
95.08605	3.2
95.28117	0.9
96.08941	1.6
97.06514	0.9
106.07426	1.0
107.04955	1.3
107.08595	1.8
109.06543	1.8
109.10179	0.8
110.06860	1.3
121.06522	1.8
121.10231	1.1
122.06876	1.1
123.01256	1.1
123.04465	1.0
125.09663	0.9
128.98615	1.1
133.01736	1.1
135.11580	0.9
137.02730	1.5
145.01778	0.9
146.99657	1.0
155.03734	5.0
155.08643	0.9
157.01768	2.9
159.03307	4.0
163.02737	1.4
169.05348	1.3
171.03337	2.9
173.04941	2.0
175.02797	2.0
177.04364	1.9
185.04907	1.7
187.02834	1.3
187.07495	1.3
188.07962	1.5
189.04367	3.7
199.02760	1.8
199.06387	1.4
203.02290	1.1
203.05966	3.3
209.08434	1.0
211.06435	1.6
217.03990	3.0
217.07462	1.5
223.09859	5.3
229.07443	2.2
237.08018	1.1
239.09485	1.3
241.11078	53.5
242.11519	1.7
255.09065	1.4
259.12164	100.0
260.12549	1.6
264.12711	4.8
267.09009	11.1
282.13733	7.0
285.10071	61.8
290.18402	3.7
293.07880	1.9
303.11121	55.3
304.11679	1.1
308.11600	7.8
308.15201	1.6
308.19348	2.8
323.44092	1.1
326.12793	5.5
330.00250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23770	2.6
53.03944	7.9
54.97356	3.1
55.01875	19.3
55.05514	33.8
57.03441	3.0
57.07074	4.7
65.03954	3.3
67.05511	52.8
69.03420	3.9
69.07072	29.8
69.94415	16.4
70.04080	3.1
71.04993	5.3
73.06579	2.9
79.05498	48.6
81.03428	4.6
81.07063	56.8
82.07375	2.8
83.04976	6.7
83.08646	17.0
85.05310	3.3
85.06529	4.9
87.63491	2.7
91.05489	34.9
93.07058	36.8
95.04951	19.1
95.08614	35.1
97.06530	24.8
97.10178	17.5
98.06076	14.3
99.06394	4.7
105.07036	48.8
107.04948	10.2
107.08604	45.3
107.60061	2.9
109.06520	26.4
109.10172	13.8
117.07046	8.1
119.08594	27.6
121.06506	9.7
121.10159	19.4
123.08086	12.6
123.11732	5.3
125.09669	17.2
131.08572	19.3
133.10104	25.5
135.08055	12.3
135.11668	13.3
137.05975	3.7
137.09616	9.6
139.14261	2.6
143.08591	3.4
145.10118	14.3
146.28430	2.9
147.08055	2.8
147.11668	14.7
149.09642	21.3
149.13254	3.1
151.11194	7.4
159.08121	3.3
159.11696	12.2
161.13237	4.8
163.11203	7.9
165.09073	4.6
165.12769	15.2
173.13260	8.3
177.12785	3.9
203.12787	10.3
219.17502	5.6
229.19498	5.8
229.97525	3.0
239.18069	3.5
247.20634	8.2
257.19025	10.2
275.20074	82.8
289.17953	4.5
289.21582	3.8
307.19376	5.2
307.22803	47.2
307.28247	100.0
326.08115	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03954	2.7
54.45945	2.8
55.01857	12.8
55.05509	34.1
57.03428	7.1
57.07068	6.3
60.10274	3.3
67.05502	55.5
69.03431	3.8
69.07066	28.3
70.16314	2.3
70.65599	3.1
70.84017	6.6
71.04961	4.2
79.05492	40.0
81.03404	4.9
81.07053	59.6
83.04958	9.8
83.08609	11.5
85.06555	5.5
89.89461	2.8
91.05479	38.7
93.07041	44.8
95.04961	22.4
95.08602	40.6
97.06536	10.6
97.10157	11.7
98.95903	3.1
105.07033	45.3
107.04939	20.2
107.08599	40.7
109.06508	13.9
109.10155	18.4
111.08069	4.3
117.07008	14.9
119.08577	22.9
121.06503	18.9
121.10123	17.5
123.08058	12.2
123.11684	4.5
125.09613	10.3
129.06960	5.6
131.08546	28.5
133.06471	5.4
133.10121	32.0
135.08022	13.8
135.11720	10.1
137.09651	6.2
137.79510	2.7
143.08562	7.2
145.10121	22.5
147.08018	6.7
147.11736	15.0
149.09616	18.2
149.13269	4.0
151.11191	6.3
153.09108	2.9
157.10127	7.5
159.08089	3.9
159.11687	12.4
161.09618	6.1
161.13293	5.0
163.07533	4.6
163.11182	10.4
163.42865	2.8
165.09096	5.0
165.12822	3.6
169.10132	4.7
171.11726	6.2
173.09766	2.7
173.13225	4.1
175.11148	6.1
177.12767	2.9
183.11708	3.8
187.11163	3.6
187.14841	3.3
191.14407	6.5
201.12694	4.9
203.12743	6.7
207.13817	3.9
209.15359	2.9
214.43253	3.1
215.14243	3.7
219.13808	4.6
229.19609	3.6
233.15485	3.9
235.13341	3.1
239.17902	5.3
247.20447	6.2
257.18948	21.1
275.20071	100.0
276.20404	3.6
278.57184	2.9
289.17990	15.2
289.21481	6.3
307.22659	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01865	18.5
55.05511	47.2
57.03426	10.7
59.05008	5.2
65.03938	6.9
67.05175	7.0
67.05508	87.7
69.03413	9.4
69.07076	43.6
69.58946	33.7
71.04958	8.9
71.64181	4.3
75.44904	5.1
79.05491	68.6
81.03413	7.6
81.07054	100.0
81.85585	5.1
83.04961	13.2
83.08612	21.5
86.82362	4.8
91.05473	56.4
92.23695	5.5
93.07047	65.1
95.04974	42.3
95.08612	58.1
97.06519	22.6
97.10152	18.9
105.07027	63.5
107.04939	20.1
107.08589	61.5
109.06505	23.5
109.10149	23.7
111.08031	6.5
117.07010	22.2
119.08568	45.1
121.06488	17.0
121.10133	29.9
123.08067	16.5
123.11736	8.8
125.09592	17.2
129.06993	5.7
131.08531	37.7
132.77382	4.9
133.10153	35.3
135.08041	18.9
135.11713	13.5
137.09612	19.6
143.75851	4.6
145.10107	21.7
147.08136	5.3
147.11659	23.8
149.09622	29.9
151.11200	8.4
153.09129	4.8
159.08203	5.5
159.11673	16.3
161.09662	7.9
161.13246	5.6
163.11208	14.1
165.12802	6.0
173.09718	5.9
173.13235	14.5
187.14842	6.0
197.13322	6.2
201.12799	5.9
203.12720	11.8
219.17400	13.8
229.19621	5.4
239.17947	8.2
247.20500	12.6
257.18958	15.5
275.20099	92.5
288.47845	5.6
289.18256	5.5
289.21744	9.4
307.19559	6.6
307.22659	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01865	12.3
55.05506	40.7
57.03428	5.4
57.07051	4.2
60.99123	2.4
65.03930	3.2
67.05501	38.6
69.03419	3.3
69.07067	17.1
70.83174	5.4
70.83569	4.4
71.04964	3.3
79.05489	67.6
81.07053	56.2
83.04974	7.8
83.08617	18.2
85.06538	3.3
91.05474	40.3
93.07029	39.1
95.04951	11.3
95.08588	26.5
97.06531	15.8
97.10157	25.3
105.07022	45.2
107.04948	23.5
107.08588	100.0
109.06508	14.2
109.10140	12.5
111.08053	5.0
117.07010	10.1
119.08566	26.1
121.06498	6.5
121.10158	13.9
123.08052	6.7
123.11673	4.2
125.09631	27.1
129.07050	3.0
131.08580	21.3
133.06494	2.8
133.10133	20.5
135.08061	11.8
135.11710	9.4
137.09618	6.5
139.11214	2.8
143.08586	4.0
145.10098	20.4
147.08023	4.8
147.11652	21.2
149.09625	38.9
149.13225	2.6
153.09102	7.6
157.10130	6.2
157.12222	5.3
159.11700	11.3
161.09651	4.4
161.13292	6.7
163.11166	8.8
165.09077	3.6
169.10072	3.4
171.10146	3.2
171.11664	3.0
173.13245	6.9
175.11070	2.9
175.14754	3.4
177.12785	4.6
181.12180	2.8
183.11661	3.4
195.45076	2.6
197.13199	3.0
203.12727	22.9
219.17491	4.2
229.19528	4.0
239.17938	6.9
247.20529	7.5
257.19086	14.9
275.20047	87.8
276.20334	3.5
289.18015	5.6
289.21552	13.3
307.22357	14.8
307.28207	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.7
55.01873	9.9
55.05503	24.9
57.03443	5.3
67.05501	46.5
69.06721	6.9
69.07067	44.1
69.73561	26.4
71.04980	4.8
79.05495	79.2
81.07057	49.5
83.04975	4.0
85.06560	5.6
91.05467	49.0
93.07038	51.8
95.04933	23.6
95.08607	37.4
97.06527	15.0
97.10165	14.1
98.21404	7.7
105.07024	41.9
107.04953	79.4
107.08591	44.8
109.06503	4.6
109.10164	12.3
117.07027	12.8
119.08571	31.8
121.06519	6.3
121.10152	36.3
123.11716	5.2
123.53532	3.9
125.09629	6.1
130.04437	4.0
131.08542	18.7
133.10101	35.7
135.08043	51.0
135.11678	6.0
137.09662	6.8
139.11186	25.1
145.10153	10.2
147.11687	19.9
149.09598	20.2
159.11740	10.2
163.07613	5.3
163.11339	5.7
178.90591	4.2
183.13893	4.9
190.66553	4.3
217.14377	14.4
219.13754	7.0
239.18024	5.3
247.20578	6.1
257.19052	11.5
275.20059	100.0
289.18057	8.4
304.85553	4.5
307.19183	7.6
307.22745	8.2
327.72293	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03942	4.2
55.05508	15.0
57.03437	4.0
59.05005	2.9
62.41533	1.9
67.05505	23.5
68.26904	1.8
69.07071	15.9
70.32190	5.1
70.32580	3.1
71.04987	20.3
73.06554	100.0
76.04087	2.2
78.31712	2.1
79.05488	18.6
81.07050	30.2
83.08620	6.3
85.06532	3.3
90.39732	1.9
91.05478	42.6
93.07050	20.4
95.04971	5.4
95.08572	14.3
97.06538	3.6
99.08098	18.9
103.05469	3.5
105.07026	34.1
107.08565	11.8
108.05716	13.1
109.06516	22.3
109.10159	5.0
117.07008	9.5
119.08584	31.4
121.06485	3.9
121.10150	10.1
123.08069	52.8
123.11671	4.4
125.09596	8.2
131.08566	6.5
133.10124	15.7
135.08075	3.5
135.11670	5.2
137.09593	6.5
145.10095	8.0
147.11726	11.7
149.09595	8.8
151.11177	9.0
157.10097	2.4
159.11673	4.9
161.13379	2.7
162.45984	2.0
163.11197	4.8
165.12715	2.1
168.99557	2.0
173.13191	2.6
215.14397	2.2
219.17393	6.3
225.01302	1.8
244.40460	1.9
257.18973	3.3
275.20020	26.6
293.08054	11.9
307.22665	40.1
328.15659	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20269	7.1
51.61446	7.8
53.03952	8.1
55.01865	19.5
55.05505	79.7
67.05499	58.9
67.72780	7.7
69.07063	15.7
70.19279	35.7
71.04980	9.6
79.05482	100.0
81.07069	54.9
83.04967	17.9
83.08609	33.5
91.05469	31.0
93.07047	54.0
95.04974	13.0
95.08601	25.5
97.06519	13.6
97.10170	72.1
103.61062	8.0
105.07029	38.7
107.04965	32.2
107.08602	92.8
109.06499	12.7
109.10136	23.1
112.02322	7.6
116.04038	7.8
117.06977	13.4
119.08585	22.6
121.10122	15.5
125.09641	99.9
131.08595	19.0
133.10118	24.9
133.87029	7.5
135.08040	34.1
135.11644	12.2
147.11697	19.7
149.09601	97.8
153.09111	21.8
159.11696	10.1
161.13159	11.6
202.90752	8.6
203.12749	64.6
229.19472	9.1
234.87685	8.0
257.18936	13.1
275.20053	92.2
316.45029	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01861	9.5
55.05267	3.2
55.05512	44.5
57.03426	5.9
60.76064	2.5
61.18855	2.1
67.05505	42.1
67.28912	2.3
69.03425	5.6
69.07069	18.6
69.30785	13.4
69.31204	9.9
71.04974	5.1
79.05492	52.3
81.03444	5.2
81.07057	100.0
83.04971	7.4
83.08620	24.5
85.06545	3.4
91.05485	33.9
91.63569	2.0
93.07040	35.9
95.04958	16.9
95.08606	15.1
97.06528	5.8
97.10170	29.0
105.07033	26.8
106.64391	3.2
107.04955	5.8
107.08583	31.6
109.06516	44.5
109.10148	9.6
110.90155	2.0
111.08037	3.7
117.07014	7.3
119.08588	14.1
121.06528	5.1
121.10119	13.8
123.08059	10.9
123.11658	3.4
125.09618	34.0
131.08582	15.5
133.10135	15.8
135.08060	13.8
135.11652	8.0
137.09595	3.1
140.91158	2.4
145.10129	9.7
147.11655	16.3
149.09625	9.5
149.13248	4.0
151.11176	4.7
153.09142	6.7
154.41351	2.4
157.10147	4.2
157.12347	3.0
159.11670	7.4
161.09618	2.7
163.11154	8.1
165.12759	5.0
173.13283	6.4
175.11243	4.7
193.12282	5.6
197.13335	2.8
203.12749	12.5
213.63651	2.3
229.19545	3.8
239.18167	2.6
247.20609	5.7
257.19025	6.1
275.20071	52.6
307.22647	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
55.01864	24.2
55.05513	34.8
57.03424	9.4
67.05508	74.9
69.03436	6.1
69.07056	20.9
70.04048	6.2
71.04971	6.3
76.81574	5.0
79.05493	58.9
81.03417	6.1
81.07053	89.4
83.04974	6.7
83.08614	13.7
91.05482	61.8
93.07042	55.2
94.23433	5.3
95.04973	48.2
95.08601	49.8
97.06538	15.3
99.10722	5.2
105.07033	47.6
107.04949	10.1
107.08592	45.5
109.06503	25.8
109.10158	29.2
117.06994	10.9
119.08595	43.5
121.06507	6.3
121.10153	18.4
123.08045	10.3
123.11682	8.3
125.09605	6.5
131.08560	29.0
133.10135	34.8
135.08054	8.4
135.11665	10.4
137.09621	15.0
143.08560	11.0
145.10104	17.6
147.11682	19.4
149.09624	19.7
149.13243	8.7
151.11211	7.7
157.10153	5.9
159.11685	12.4
163.07590	5.8
163.11186	10.6
165.12762	14.4
168.31998	5.2
173.13300	12.7
214.79994	6.1
219.17348	7.1
229.73659	7.0
247.20724	10.1
257.19086	12.3
271.16525	5.5
275.20041	100.0
289.18060	7.4
289.21555	8.1
307.22629	36.1
309.89206	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03947	5.2
55.01874	18.4
55.05513	43.4
56.05867	5.3
56.74616	3.8
57.03429	15.4
57.07066	6.8
67.05511	57.7
68.05857	5.0
69.07071	45.2
69.47247	32.0
71.04998	6.1
71.08607	5.7
79.05492	57.7
81.03428	12.8
81.07053	64.7
82.07391	6.2
83.04971	11.8
83.08616	15.0
85.06549	9.2
86.80574	4.2
91.05481	46.2
93.07042	59.4
95.04980	35.1
95.08625	53.1
95.81865	3.8
97.06526	28.0
97.10179	12.9
98.06051	14.3
99.08105	5.0
105.07043	41.8
107.04963	16.2
107.08600	50.9
109.06518	47.4
109.10175	13.0
109.60513	3.9
117.07019	14.3
119.08572	38.1
121.06496	13.1
121.10136	24.1
123.08080	10.7
123.11732	6.7
125.09651	13.6
131.08589	19.0
133.10130	27.3
135.08057	19.5
135.11710	13.8
137.06018	4.1
137.09619	9.4
139.11121	10.0
145.10120	24.0
147.11664	19.6
149.09669	20.0
149.13255	6.8
151.11194	6.3
153.09074	5.7
159.11725	15.2
161.09534	5.0
161.13335	8.6
163.11188	12.6
164.43655	3.9
165.09158	5.3
165.12746	70.8
173.13268	8.9
177.12772	7.1
179.14357	6.3
182.38530	3.8
183.11876	4.2
185.13155	4.9
197.13316	7.3
203.12756	7.9
219.17479	18.8
233.15439	6.7
239.18079	5.7
247.20570	10.0
257.19028	10.2
265.07751	4.6
275.20081	100.0
289.18253	5.2
289.21622	16.0
307.22760	63.3
307.28223	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	16.9
55.01870	35.6
55.05268	5.2
55.05507	75.4
57.03431	18.0
65.03925	4.6
67.05501	80.9
67.52222	2.8
69.03409	9.1
69.07062	33.3
69.47977	3.7
69.48299	28.5
71.04974	9.0
73.50399	3.1
79.05486	85.3
81.03420	20.2
81.06580	5.4
81.07053	100.0
83.04970	26.9
83.08615	34.5
85.06530	7.6
90.72906	2.8
91.05475	69.1
91.56496	3.0
93.07040	75.2
95.04967	35.0
95.08598	46.9
97.06517	27.6
97.10168	32.1
98.20777	6.1
99.04509	3.5
103.05492	3.6
105.06312	3.3
105.07018	60.3
107.04941	55.7
107.08582	68.9
109.06505	38.2
109.10147	24.8
111.04407	10.6
111.08089	12.0
117.07030	22.1
117.07708	3.7
119.08572	39.7
121.02869	11.9
121.06501	49.5
121.10114	28.5
123.04440	4.5
123.08054	26.2
123.11691	5.9
125.09634	30.3
128.06219	3.1
129.06995	8.9
131.04861	3.3
131.08562	26.5
133.06477	9.7
133.10155	25.6
135.04369	5.1
135.08038	28.2
135.11685	13.1
137.05930	3.1
137.09590	11.9
139.11143	3.9
141.06963	5.0
142.07738	3.0
142.09023	3.6
143.08572	8.2
145.06464	8.9
145.10124	28.5
147.08055	10.2
147.11693	24.6
149.05969	5.0
149.09615	35.0
149.13214	7.6
151.07532	6.4
151.11104	4.2
153.09062	8.2
155.08519	4.1
157.10161	8.4
159.08038	9.7
159.11703	20.4
161.09592	7.5
161.13229	7.6
163.07561	43.2
163.11160	23.3
165.09094	7.3
165.12640	5.4
169.09985	4.2
171.11568	6.1
173.09619	8.2
173.13232	11.6
175.11154	7.6
175.16704	3.6
177.09082	5.2
177.12778	7.5
183.11740	6.0
185.13264	3.0
187.11252	7.9
187.14801	5.9
189.11234	4.4
189.12755	4.5
191.10643	4.2
191.14366	4.8
197.13208	6.0
201.12825	3.6
203.12735	12.0
205.12242	4.4
215.14275	4.0
215.17969	4.2
219.13750	19.7
229.19411	8.6
233.15372	6.9
237.14795	10.2
239.17923	6.4
243.17485	4.3
246.80670	3.8
247.20518	13.6
257.18951	16.2
261.18405	8.7
271.16891	10.6
275.20038	83.2
289.17981	66.8
289.21262	7.1
290.18155	6.9
294.57739	3.2
307.09607	4.1
307.18967	28.1
307.22659	24.6
316.28491	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.5
55.01875	29.4
55.05263	5.1
55.05511	68.4
56.05825	4.4
57.03445	14.8
57.07080	3.6
62.13056	2.9
65.03953	4.4
67.05503	82.3
68.45824	2.6
69.03409	9.2
69.07071	32.4
69.85149	9.7
69.85554	7.0
69.94420	2.6
70.83104	2.5
71.04999	15.2
72.14651	3.0
79.05493	89.3
81.03423	23.8
81.07059	93.4
83.04985	24.1
83.08621	33.9
85.06531	6.1
91.05479	69.5
93.07040	78.5
95.04971	44.7
95.08604	53.7
97.06544	25.6
97.10170	29.5
99.08098	3.9
101.05974	3.4
103.05486	4.5
105.07031	62.0
107.04962	53.1
107.07864	4.9
107.08595	77.5
109.06522	44.2
109.10149	23.9
111.04398	6.5
111.08089	13.4
113.05979	4.1
115.05524	4.8
117.07014	29.0
117.72795	3.0
119.08585	44.6
121.02858	13.8
121.06509	62.0
121.10135	33.6
123.04404	5.9
123.08051	24.0
123.11665	6.2
125.09641	34.4
128.06248	4.8
129.07018	7.7
131.08566	35.4
133.06485	10.4
133.10143	28.2
135.04408	4.7
135.08073	33.5
135.11699	13.2
137.09605	16.3
139.11165	3.8
141.06996	5.7
143.08559	11.5
145.06465	7.5
145.10115	26.0
147.08049	12.9
147.11685	18.1
149.05977	8.9
149.09616	39.6
149.13251	4.7
151.07539	7.9
151.11179	8.5
153.09117	10.7
155.08568	8.8
157.10158	4.8
159.08061	16.2
159.11693	15.7
161.09645	6.3
161.13263	7.2
163.07552	54.0
163.11223	25.1
163.14812	3.6
163.17180	3.3
165.09093	5.8
165.12708	7.1
171.11696	10.1
173.09616	11.1
173.13306	14.7
175.11229	9.4
177.09097	7.2
177.12759	5.6
183.11731	6.5
187.11171	6.7
189.11230	4.5
191.10550	4.9
197.13297	4.2
201.12750	7.6
203.12814	12.2
205.15820	5.9
215.14345	3.3
215.17914	4.0
219.13763	24.9
229.19514	6.2
233.15410	9.9
235.13249	3.1
237.14865	10.7
239.17888	5.2
243.17429	3.8
247.16980	3.7
247.20558	10.4
253.16003	6.3
257.19043	15.0
259.31723	3.3
261.18524	11.9
271.16968	11.4
275.20065	100.0
276.20502	5.0
289.14966	6.4
289.17987	79.1
289.21231	7.8
290.18121	3.2
307.19022	32.8
307.22708	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.84825	3.1
53.03935	8.6
54.32310	2.9
55.01859	8.2
55.05507	32.2
57.03438	20.7
59.04988	4.0
67.05503	34.4
69.03424	12.4
69.07060	22.9
70.94384	6.2
71.04980	4.3
77.52464	2.8
79.05499	29.7
81.03423	7.8
81.07051	58.0
83.04975	8.9
83.08605	15.0
85.06521	8.6
88.24502	2.5
91.05478	31.2
93.07046	27.0
95.04958	19.4
95.08597	49.0
96.15556	2.8
97.06525	8.7
97.10178	18.5
101.48260	2.8
105.07016	20.0
107.04948	13.2
107.08063	2.5
107.08594	24.7
109.05801	4.3
109.06509	55.7
109.10158	25.8
111.04479	3.6
111.08065	5.1
113.05997	8.8
117.07018	11.6
119.08575	13.2
121.06497	100.0
121.10155	13.6
123.08078	16.2
123.11688	13.4
125.05993	3.5
125.09644	8.8
127.07561	3.8
128.06221	3.1
129.07057	6.2
131.08545	14.2
133.10175	13.5
135.08047	11.5
135.11679	6.3
135.58685	3.6
137.09599	12.8
137.13280	4.7
140.23561	2.9
141.06946	4.8
141.93521	3.2
143.08504	7.4
145.10107	6.0
147.08055	6.9
147.11636	4.5
149.05963	4.0
149.09668	6.0
149.13251	3.8
151.07512	3.1
151.11208	3.5
155.08469	3.6
157.10039	3.6
159.08055	18.5
159.11668	6.9
161.09615	8.8
161.13075	2.8
163.07544	6.2
163.11185	4.9
163.14870	3.4
169.10208	4.5
171.11661	6.5
173.09621	5.5
175.11183	4.8
177.09175	3.2
179.10617	3.9
185.82210	3.1
193.12215	3.4
197.13260	3.1
199.11256	6.4
215.14224	3.4
223.13258	3.9
233.15385	8.4
253.16016	6.4
271.16949	13.2
289.17963	41.4
307.19119	27.5
307.26218	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01854	9.2
55.05509	15.3
57.03434	21.0
60.69125	3.0
65.03923	3.7
67.05502	31.7
68.96185	2.9
69.03423	5.4
69.07070	8.7
70.13004	16.5
71.04988	6.5
79.05496	22.7
81.03416	36.3
81.07051	40.3
83.04980	6.8
83.08604	6.8
85.06539	8.1
91.05487	30.6
93.07041	30.2
95.04961	36.0
95.08603	36.4
97.06530	4.9
97.10162	10.1
98.27715	2.8
99.04451	3.5
102.65034	3.0
103.05502	3.5
105.07024	22.3
107.04952	100.0
107.08573	15.7
109.06512	38.8
109.10141	14.7
111.08093	4.0
113.06002	17.8
117.07022	10.2
119.08595	14.6
121.06509	40.8
121.10167	7.0
123.08089	20.7
123.11675	6.0
125.09644	5.1
129.07002	7.3
131.04924	3.3
131.08548	12.4
133.06508	7.9
133.10126	6.1
135.04424	2.8
135.08046	12.9
137.09619	8.8
142.86063	3.0
143.08601	4.5
145.10164	6.1
147.08031	8.0
147.11707	6.0
149.05972	8.1
149.09714	6.0
151.07556	11.2
155.08557	4.1
157.10138	8.3
159.08083	13.7
159.11674	6.0
161.09612	7.5
163.07539	4.0
165.09099	34.7
171.11722	10.8
172.78085	3.1
175.11182	11.6
179.10727	3.8
187.07530	4.6
189.12730	5.5
191.10741	5.2
199.11110	5.1
205.16170	3.4
217.12236	10.4
219.13939	3.6
233.15349	17.0
235.13292	38.9
261.18475	5.3
271.16885	11.6
289.17978	31.2
291.85367	3.2
293.07971	6.2
307.09576	5.1
307.18973	18.0
307.26147	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01865	7.0
55.05274	1.4
55.05512	22.5
56.96549	1.6
57.03431	7.3
59.04964	1.5
60.60409	1.0
67.05505	15.6
69.03415	3.5
69.07070	6.3
79.05486	13.5
81.03410	2.7
81.07052	19.2
83.04963	2.2
83.08620	9.0
85.06523	2.7
89.00999	1.1
91.05471	17.9
93.07037	9.8
95.04978	7.6
95.08604	7.9
97.06541	1.5
97.10168	11.8
98.97560	1.6
103.05418	2.1
105.07034	7.3
105.83922	1.3
107.04972	7.7
107.08578	10.0
109.06513	20.3
109.10148	7.0
111.08076	8.6
113.06028	2.1
115.05406	1.4
116.98647	1.1
117.07001	3.7
119.08588	5.7
121.06498	100.0
121.10131	2.7
122.06849	1.5
123.04429	1.9
123.08056	13.7
123.11695	3.4
125.09629	8.1
129.07025	2.8
131.04895	3.0
131.08551	6.1
133.06529	1.5
133.10104	2.8
135.08044	8.1
135.11613	2.4
137.09618	4.9
139.11263	1.3
143.08562	2.3
143.10730	1.2
145.10138	2.6
147.08061	5.9
147.11697	2.3
149.05975	1.2
149.09557	1.7
149.13225	2.2
151.07591	1.3
151.11150	1.6
155.08575	1.7
157.10088	1.3
159.08043	27.7
159.11711	1.4
161.09586	3.5
163.07553	3.2
169.10081	1.3
169.12247	1.1
170.54439	1.3
171.04422	1.7
171.11623	1.7
173.09575	1.8
173.13171	1.7
175.07568	1.5
175.11116	1.6
179.89685	1.3
185.09599	2.3
189.11232	2.1
197.09438	1.4
211.11020	1.9
213.48047	1.1
215.14403	1.4
225.16396	1.2
233.15277	3.5
243.17471	1.8
253.15881	7.6
261.18597	1.1
271.16910	5.8
287.05508	9.8
289.17981	20.5
307.09625	4.4
307.13098	2.6
307.19077	4.5
307.26245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03923	11.1
55.01860	18.4
55.05506	41.6
56.96560	6.1
57.03431	25.6
61.36000	3.9
65.03918	7.2
67.05502	58.4
69.03417	11.3
69.07063	28.5
69.31651	6.3
69.32043	48.3
71.04976	12.9
72.21174	5.2
72.74701	5.0
79.05484	65.4
81.03403	14.2
81.07049	69.5
83.04977	24.8
83.08595	16.8
91.05473	50.6
93.07041	53.5
95.04964	41.5
95.08604	51.1
97.06500	14.9
97.10147	15.9
105.07024	48.5
107.04950	36.6
107.08589	31.8
109.06544	29.2
109.10134	24.3
109.94421	5.7
115.05457	5.9
117.07011	18.3
119.08556	37.0
121.02845	13.8
121.06495	41.2
121.10134	11.2
123.08094	29.0
125.09617	19.0
128.06227	6.3
128.72424	4.9
129.06975	8.7
131.08556	23.2
133.06499	7.4
133.10121	24.3
135.08026	23.7
135.11638	8.2
137.09601	19.3
141.06941	9.6
143.08528	12.7
145.06467	9.1
145.10091	20.6
147.08034	10.3
147.11694	8.7
149.05997	16.7
149.09633	9.9
151.07553	9.0
157.10086	10.1
159.08043	24.1
159.11713	12.6
161.09624	4.8
163.07570	14.4
163.11269	6.3
164.90430	5.0
165.09079	14.1
171.11682	10.7
173.09595	8.0
175.11218	7.3
177.09047	10.8
179.10635	6.6
183.11690	6.4
187.11165	5.7
197.13219	7.8
203.12585	6.1
223.14909	6.5
231.08623	5.5
233.13135	5.9
233.15259	8.0
235.13173	8.2
243.17439	7.1
261.18460	9.7
271.16913	20.5
271.58975	6.6
275.19977	17.0
289.17941	100.0
307.09634	11.3
307.18988	52.1
307.22574	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
53.03941	15.0
54.07634	5.0
55.01862	14.7
55.05510	39.4
57.03426	17.9
66.60850	5.8
67.05504	39.7
69.07063	11.4
69.68202	21.2
69.68625	11.4
70.70068	5.1
71.04980	4.8
78.47648	4.6
79.05495	52.0
81.03413	14.9
81.07062	44.8
83.04980	19.8
83.08624	12.5
91.05484	70.3
93.07039	100.0
95.04968	46.9
95.08605	40.5
97.06539	6.8
97.10165	16.1
103.05472	12.9
105.04486	6.2
105.07022	43.2
107.04939	21.1
107.08606	33.4
109.06514	16.0
109.10142	11.3
111.08046	7.1
117.07016	23.4
119.08574	28.4
121.02861	62.6
121.06510	52.6
121.10149	19.5
123.08052	6.9
125.09637	16.5
129.06932	6.0
131.08533	16.8
133.06496	15.4
133.10138	11.9
135.04407	9.0
135.08044	27.0
137.05951	6.2
137.09584	12.9
145.06473	9.1
145.10150	14.1
147.08015	12.9
149.05966	12.7
149.09621	16.3
151.07562	7.6
153.09070	10.5
159.08118	12.7
161.09576	8.5
163.07553	56.2
165.09093	6.6
167.10670	7.5
169.10081	6.6
171.11720	5.2
173.09624	9.2
173.13258	5.3
175.11266	5.7
189.11249	5.7
201.18886	5.6
233.15332	12.6
261.18423	17.1
271.16910	17.3
285.57376	6.2
289.17932	84.7
307.18994	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.51890	2.5
53.03953	14.1
55.01862	10.4
55.05510	42.0
57.03435	21.6
62.00399	2.8
65.03917	5.1
67.05501	45.1
69.03421	5.0
69.07064	16.6
69.85794	9.6
69.86204	7.3
71.04961	7.4
78.22851	2.7
79.05492	48.0
79.21687	2.9
81.03414	12.2
81.07054	46.6
83.04976	10.0
83.08603	11.5
91.05482	67.3
93.07039	100.0
95.04962	48.6
95.08603	39.2
97.06510	8.5
97.10162	13.6
98.21452	4.6
103.05478	15.2
105.04485	4.1
105.07030	34.4
107.04944	26.6
107.08585	29.9
109.06524	19.0
109.10147	16.0
111.08081	6.9
117.07019	19.0
119.08582	27.5
121.02867	43.1
121.06496	81.8
121.10132	19.8
123.04420	8.5
123.08066	14.0
125.09620	18.3
128.06223	3.3
129.06976	11.2
131.08545	22.3
133.06451	18.9
133.10120	14.6
134.86520	3.2
135.04453	4.5
135.08047	28.4
135.11736	5.0
137.05965	5.4
137.09613	23.1
139.11122	3.5
141.06999	3.5
143.08545	3.3
145.06474	6.0
145.10101	12.4
147.08046	12.2
147.11664	4.9
149.05977	9.4
149.09633	14.5
151.07524	8.6
153.09015	3.6
159.08035	15.6
159.11638	5.2
161.09676	5.5
163.07562	41.8
163.11180	3.3
165.09048	3.8
167.10640	6.3
169.10120	7.4
173.09656	3.9
177.09096	11.5
187.11140	6.7
189.11217	7.1
191.10651	6.4
197.13310	4.2
199.11005	3.1
215.14227	3.9
219.13809	4.4
233.15305	11.3
243.17438	8.8
253.15884	4.8
259.87778	2.9
260.75690	2.8
261.18433	12.7
271.16885	20.3
289.15015	5.0
289.17987	82.7
307.19025	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
53.03932	3.7
55.01861	7.6
55.05510	36.8
57.03438	12.8
57.76113	1.7
60.70255	1.7
65.03937	3.5
67.05502	25.6
69.03409	2.1
69.07050	7.8
70.12527	3.3
70.12920	4.6
79.05492	22.0
81.03421	2.1
81.07056	15.0
83.04967	4.1
83.08616	13.0
85.06547	3.6
91.05476	21.5
93.07042	9.8
95.04964	21.3
95.08584	7.7
97.06528	3.5
97.10167	17.1
98.20871	2.3
103.05440	2.2
105.07023	8.3
107.04945	10.0
107.08577	13.5
107.53159	1.8
109.02910	2.5
109.06502	24.8
109.10128	3.2
111.08066	2.2
112.66305	1.7
113.05981	5.0
117.06985	2.8
119.08575	5.8
121.06499	100.0
121.10152	2.4
123.08072	4.4
125.09647	13.3
129.06932	2.1
131.08580	4.6
133.10164	3.1
135.08011	9.4
137.06030	1.6
137.09615	5.9
145.10121	3.9
147.08025	7.0
149.09572	4.1
155.08649	2.4
157.10133	3.0
159.08035	30.7
159.11676	2.3
161.09683	5.5
161.23706	2.0
163.07550	5.1
165.20230	1.8
173.09685	2.2
175.11150	2.1
177.09064	3.1
185.09596	8.1
187.03679	3.9
189.11185	3.1
189.12674	2.9
191.10606	3.1
197.13263	1.9
215.14287	2.9
243.17529	4.0
253.15826	5.5
261.18488	11.4
271.16885	11.3
289.17972	59.1
299.05713	1.9
307.09039	2.1
307.19016	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41694	0.5
56.05036	2.7
58.06599	4.6
67.05486	0.5
68.34304	0.5
69.93357	3.2
70.06612	0.8
72.93784	0.7
79.64861	0.6
84.03989	0.9
84.04503	25.2
84.08140	100.0
85.08471	0.9
86.06060	6.9
86.09709	6.2
88.03983	2.5
130.06548	1.9
130.08620	1.5
141.13852	7.8
142.86935	0.6
144.10210	0.9
157.07619	1.4
158.06026	1.5
158.97430	0.7
169.13359	9.7
169.14711	0.9
170.99249	0.6
175.08679	0.9
176.98604	0.6
198.11316	1.2
215.13901	38.3
216.14206	0.6
217.01620	0.6
227.49525	0.6
234.98965	1.3
243.17036	42.7
244.17332	0.9
258.78867	0.6
262.11176	2.3
287.58380	0.6
307.13254	1.0
307.16864	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.05501	1.2
67.05497	1.6
69.03421	0.8
69.07052	0.8
69.85389	1.7
69.85808	2.0
72.72886	0.5
77.03938	0.6
79.05479	1.4
81.03403	0.6
81.07042	4.1
83.04924	0.8
91.05450	2.4
91.05974	0.6
93.07041	3.6
94.06596	0.7
95.04951	1.7
95.07339	0.7
95.08589	2.0
96.08114	0.9
97.10164	0.7
98.20918	0.8
101.03059	0.5
105.07053	0.9
107.04859	0.6
107.08588	1.3
108.08105	1.3
109.06508	1.0
109.10162	0.8
110.09665	0.8
111.08048	1.3
115.06071	0.6
119.08533	0.9
121.10101	1.0
122.06033	1.3
123.06808	2.9
124.07601	7.4
126.09157	4.5
135.08034	0.8
136.07570	62.3
137.07915	1.4
138.09134	54.2
139.09399	0.8
140.07079	2.3
150.05531	0.9
152.05864	1.2
152.07059	16.7
152.43275	0.5
161.09587	0.6
164.07059	100.0
165.07411	2.3
170.08101	4.7
182.08115	18.4
207.94302	0.5
229.96051	0.6
289.15231	1.5
307.09674	2.3
310.58139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52577	1.1
53.03942	2.2
54.40988	1.3
55.01862	5.5
55.05503	6.7
57.03440	7.3
58.35687	1.3
59.14874	1.2
60.42060	1.3
61.02919	3.1
65.03940	2.1
67.05505	16.4
69.03427	13.2
69.07076	8.8
69.73605	8.0
71.01339	4.3
71.04984	19.2
71.35619	1.2
73.02917	8.4
76.02197	1.6
79.05069	1.5
79.05492	20.5
80.22101	1.3
81.03410	5.1
81.07050	21.0
83.04966	5.3
83.08606	3.4
84.08145	1.9
85.02901	10.5
85.06521	4.8
87.04434	2.2
91.05467	15.3
93.07045	18.4
95.04982	8.3
95.08603	21.2
97.02873	4.9
97.06510	8.1
97.10145	1.5
98.06149	1.4
99.04446	2.9
99.08121	1.1
103.03947	2.9
103.05485	1.9
105.07014	16.2
107.04987	2.8
107.08578	19.0
108.60651	1.2
109.02877	2.0
109.05254	1.6
109.06511	9.6
109.10140	8.1
111.04444	2.3
111.08084	3.0
113.06002	1.6
115.03909	4.2
115.05482	1.3
117.06958	6.2
119.08564	19.8
121.06507	4.3
121.10135	22.4
122.06017	2.5
123.04389	2.8
123.08031	10.4
123.11720	3.7
124.07577	2.5
125.05936	1.9
125.09581	2.1
128.06255	2.4
129.06981	4.0
131.04956	1.9
131.08583	13.4
133.06502	2.4
133.10107	13.5
133.86787	1.3
135.08057	6.8
135.11661	9.7
136.07562	1.7
137.05965	3.4
137.09627	3.6
139.11227	2.1
140.07068	2.7
142.07735	1.4
143.08521	8.0
145.06441	3.0
145.10101	11.2
147.08070	6.1
147.11673	7.9
149.06012	1.7
149.09624	4.9
149.13261	2.1
151.07518	3.3
151.11125	1.7
153.07037	1.5
155.07001	1.6
155.08540	3.0
157.10114	4.4
158.10919	3.9
159.08057	4.1
159.11658	7.3
161.09613	7.0
161.13269	2.8
163.07504	2.5
163.11163	2.4
165.06909	1.5
165.09081	2.1
167.07025	3.9
169.10138	5.7
171.08054	2.0
171.11694	5.2
172.07472	1.5
173.09613	5.0
173.13242	13.5
174.09044	1.7
175.11194	3.8
175.14798	11.0
177.09015	2.6
177.12784	4.1
178.08656	13.6
183.11673	3.3
184.07574	2.7
185.13246	3.2
187.11145	3.3
187.14825	9.0
188.07085	2.7
189.16426	2.4
191.10605	2.3
191.14308	4.8
192.15070	5.6
197.09511	1.9
197.13190	3.0
198.09067	2.2
199.14836	3.5
201.10313	2.2
202.08609	5.1
205.09822	2.1
205.12134	1.6
206.06381	2.4
206.08171	2.6
209.11725	2.6
209.13422	1.5
211.14790	2.5
213.39995	1.3
213.47284	1.3
215.10733	4.9
215.14314	4.3
216.10327	1.9
217.15857	4.4
219.11264	4.9
220.09634	2.0
225.12430	1.5
225.16249	2.2
227.14384	2.6
229.09731	4.7
229.15845	3.7
230.08104	3.8
231.13766	2.3
233.11688	1.8
235.20378	1.8
241.15997	2.0
243.11327	3.0
243.17430	3.7
244.09744	2.9
247.10808	12.4
247.13269	1.8
248.87827	1.3
252.47920	1.4
253.15895	2.9
253.21471	2.9
261.18582	1.4
262.10770	2.2
265.11786	12.8
271.10654	2.1
271.16940	8.6
271.22882	1.4
277.18250	2.2
289.11829	16.7
289.17944	12.8
291.59387	1.2
307.09766	4.8
307.12891	100.0
307.18704	21.1
308.13196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01847	0.7
55.05502	1.1
57.03421	0.4
67.05488	1.3
68.99774	1.4
69.03412	1.1
69.07051	1.2
70.38208	0.3
71.57486	0.5
75.59764	0.4
79.05488	1.5
81.03405	0.8
81.07053	3.3
83.04953	0.6
85.02892	0.4
85.06509	0.5
91.05489	1.9
93.07032	2.1
95.04951	1.2
95.08591	1.6
97.02868	0.4
97.06512	0.6
98.81400	0.4
105.07015	1.4
107.04977	0.8
107.08558	1.4
109.02911	0.6
109.06479	1.2
109.10139	1.2
111.04415	0.5
111.08067	0.5
115.05453	0.7
117.06976	0.5
119.08564	1.3
121.10175	0.9
123.04414	0.7
123.08042	0.9
124.07566	2.5
127.03916	0.9
128.06206	0.6
129.06979	0.4
131.04997	0.4
131.08572	0.6
133.10124	0.9
136.07571	5.4
137.02316	1.3
137.09561	0.5
138.09145	4.5
141.06960	1.1
142.07770	0.8
145.10158	0.7
149.13176	0.5
152.07053	1.2
153.07143	0.4
155.08514	0.6
163.11255	0.6
164.07062	7.1
165.06996	1.7
166.07739	0.5
167.08574	1.3
169.06422	1.0
179.08568	1.0
180.09447	0.5
181.06448	0.5
181.10161	2.2
182.08084	1.5
183.11703	0.6
189.06969	1.1
190.07753	2.4
191.08447	1.2
194.07289	0.8
195.08047	1.1
195.11877	0.4
197.05954	0.5
198.06671	0.8
203.08560	0.8
205.06400	0.7
205.10159	2.9
207.08018	1.1
208.05217	0.4
208.08817	1.1
209.06030	0.8
209.09627	0.9
210.06766	0.6
211.07520	1.1
215.08607	1.3
218.07271	4.1
219.08032	3.0
220.08626	0.4
221.05975	1.0
222.06703	0.7
223.07564	1.4
223.11157	0.7
226.06105	0.5
231.07964	0.9
233.09622	2.7
234.10333	1.0
235.07480	4.3
236.08324	9.5
237.05524	0.9
237.09120	1.3
239.06937	1.1
242.05525	0.5
247.07536	1.4
250.06239	0.5
251.10683	5.7
252.10992	0.4
261.09106	1.4
263.07007	2.1
264.07779	3.2
265.08667	0.9
266.05670	1.5
279.06503	13.5
279.10132	4.6
280.06808	0.5
289.18100	0.5
290.09470	0.6
292.07281	26.6
293.07581	1.1
307.09619	100.0
308.10004	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01878	0.9
55.05503	1.4
60.05639	1.6
67.05507	1.0
69.03417	1.4
69.07078	0.9
70.06580	1.5
71.49711	1.4
72.08164	3.9
74.06062	0.7
75.23076	0.7
78.07726	0.7
79.05482	1.9
81.03410	1.5
81.07064	1.5
82.02944	1.0
83.04945	1.1
84.04497	1.7
84.08121	1.8
85.02900	1.5
87.00824	2.3
89.03899	1.3
91.05467	2.0
93.07035	2.3
94.06541	2.8
95.04945	1.0
95.08585	1.0
96.66322	0.7
97.02862	1.1
97.06559	0.9
97.07669	1.3
98.06024	0.8
103.05444	0.8
105.07034	1.1
107.04952	1.1
107.08583	0.8
109.02890	0.8
109.06521	1.7
114.10284	5.9
115.05448	1.4
115.08698	1.3
116.07090	0.9
117.03364	7.3
117.07018	1.5
121.06503	1.0
121.10181	1.0
123.04407	1.8
123.08055	0.8
124.07632	1.1
127.03938	1.5
129.07024	1.2
129.10266	1.0
130.06519	98.5
131.04877	0.9
131.06888	1.9
131.08586	1.4
131.12949	2.1
132.04440	27.7
132.05415	1.5
135.08025	0.8
141.48270	0.8
145.01756	1.5
145.02843	21.0
145.06477	2.4
146.06004	5.8
147.04457	0.9
147.08083	0.8
149.02325	0.8
149.05946	3.8
153.01813	4.3
154.02184	3.2
155.01176	0.8
155.02263	4.4
157.07605	75.1
158.06007	100.0
159.06317	2.1
159.08096	0.9
161.05951	0.9
171.08076	1.1
173.05794	1.1
173.07159	4.4
175.08678	45.6
176.07080	1.3
177.05453	31.9
181.04001	0.7
181.06424	1.3
191.07040	1.4
197.07097	2.1
199.08679	2.6
201.06642	5.1
203.08255	3.9
204.06665	0.9
205.08559	1.8
212.51317	0.9
217.08542	0.9
221.09154	2.8
225.06595	1.5
227.06990	0.9
243.07616	11.2
245.09120	2.9
247.07146	3.2
247.09514	1.1
248.12708	1.1
259.09598	1.4
261.08704	28.7
261.11102	1.3
271.07272	1.6
289.08127	5.4
289.11539	2.2
289.17917	1.3
290.14914	3.0
307.09274	2.7
307.12756	1.7
307.17606	17.5
319.91507	0.9
325.62555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56467	0.5
67.00339	0.6
69.07056	1.6
70.87141	1.4
81.07051	1.1
94.04186	2.7
107.04918	0.6
107.08569	0.7
109.10164	0.9
114.09172	0.6
122.03643	7.4
125.75507	0.4
133.10132	0.8
135.11687	1.4
137.05971	100.0
138.06313	1.0
138.97395	0.5
153.12767	1.0
166.10306	0.5
170.15399	3.1
182.15416	2.2
192.29979	0.5
249.90926	0.5
258.12918	0.5
260.31955	0.6
264.31436	0.5
266.52896	0.5
290.46884	0.4
306.20593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72443	16.8
56.66272	13.4
56.96551	32.1
68.27389	12.9
69.03411	20.3
69.54838	61.9
69.55244	34.5
70.06586	15.6
85.02885	23.8
93.51808	12.5
97.02876	14.1
98.21540	21.9
98.97549	25.2
100.31503	11.3
107.13942	15.8
119.01907	45.3
127.03931	14.0
130.06528	13.8
133.03491	13.4
137.02965	15.8
146.08125	31.9
161.02873	18.0
215.00349	17.5
243.27849	14.5
254.70737	12.8
307.07477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22972	20.6
60.47815	16.8
67.89731	17.5
70.19001	75.0
75.52592	16.5
98.09700	32.4
119.94138	16.9
146.08060	33.7
184.18791	17.0
307.07431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.7
56.96563	81.8
57.03432	17.1
61.02920	18.2
69.03405	45.8
70.06569	11.9
70.20491	29.0
71.04966	9.8
71.95298	10.1
73.02903	18.4
77.59883	8.6
79.05480	12.6
81.03421	22.8
84.96030	11.1
85.02904	79.6
87.04476	8.5
88.99177	6.9
91.03913	9.2
97.02879	43.8
97.04825	8.2
98.97569	99.8
99.04436	12.2
100.99135	23.3
110.97571	22.4
112.99102	12.7
116.07100	11.7
116.98614	63.1
119.00157	12.9
119.01917	29.3
127.03919	22.7
128.98586	32.5
130.77296	8.6
131.00246	14.6
131.01859	15.6
133.01758	11.7
133.03471	11.6
134.99640	17.4
137.01225	10.5
137.03011	8.6
143.00163	16.6
143.01872	11.9
145.03445	22.1
145.10522	7.7
146.08171	9.7
146.99631	28.7
149.01245	15.5
152.98521	7.5
158.99660	16.5
161.01251	10.0
161.02921	22.1
163.02824	58.5
163.04184	12.3
165.00684	10.9
169.04439	28.5
169.37326	8.2
170.05260	9.6
173.02896	10.2
174.03267	9.1
175.02794	8.9
175.04515	13.8
177.00708	25.2
177.04185	15.2
181.03781	29.3
189.00717	13.4
190.05957	11.3
196.54546	13.0
205.03828	13.4
217.07433	8.8
219.01744	31.0
221.05190	19.4
237.02782	75.2
307.07690	100.0
307.10657	10.0
325.08112	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84476	0.5
55.01861	1.0
55.05496	1.5
56.05025	1.8
56.96528	0.5
57.03433	1.3
60.04509	0.7
61.02921	1.1
69.03445	2.5
69.85234	3.0
70.06583	1.6
72.08142	0.9
73.02904	1.0
74.06092	2.7
81.03410	1.9
81.07040	1.7
83.08617	1.1
84.04504	65.5
84.08132	1.9
85.02422	0.7
85.02910	6.6
86.09721	0.5
88.61797	0.5
97.02876	1.5
98.06049	2.1
98.09692	1.0
98.97594	0.6
105.53706	0.5
108.08172	0.7
109.02864	0.9
109.06565	0.8
116.07104	1.2
118.06336	0.5
120.08108	0.5
123.04434	0.5
126.05497	1.2
126.09153	15.3
127.03910	1.1
130.06528	2.4
136.07596	1.1
137.07942	1.0
144.10196	100.0
145.05016	0.7
145.10570	0.7
146.06013	0.8
150.05557	0.6
153.01834	0.8
154.02171	0.8
154.08633	1.0
157.07625	1.5
158.06021	1.9
164.07085	0.7
175.08669	0.7
188.32358	0.5
197.72189	0.5
223.94376	0.5
243.60387	0.6
261.08667	0.6
269.07339	0.5
270.13187	0.7
285.79175	0.6
288.14182	1.2
306.15451	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97606	2.4
53.03942	5.4
55.01876	15.3
55.05502	19.1
57.03437	3.6
57.07069	9.1
65.03936	3.0
65.15122	2.6
67.05503	40.7
69.03426	10.4
69.07068	23.0
69.41801	14.7
69.42216	6.9
71.04964	5.0
74.78075	2.4
79.05495	61.0
81.07051	36.4
83.04980	8.0
83.08638	3.2
85.06525	5.6
89.06004	2.6
91.05480	53.0
93.07047	63.1
93.07634	4.0
95.04969	19.6
95.08604	53.0
97.06561	3.2
99.08051	3.4
101.01611	2.3
103.05473	2.7
105.07014	29.8
105.07595	3.0
106.06538	4.6
107.04951	100.0
107.08588	23.3
109.06516	12.7
109.10165	21.2
115.05446	6.1
116.05304	4.0
117.07012	18.1
119.08569	35.5
121.06506	5.9
121.10160	9.2
123.04415	6.6
123.08064	11.0
125.09647	3.5
128.06209	2.6
129.07027	9.6
129.60666	2.4
131.08559	15.3
133.06487	2.9
133.10081	14.9
135.08061	51.6
135.11676	4.5
137.08553	2.7
137.09610	53.6
137.10596	4.0
142.07727	3.0
143.08560	10.1
144.09367	3.6
145.06538	2.6
145.10146	21.9
147.08023	8.7
149.09625	10.6
150.37776	2.3
157.10107	10.7
159.08009	4.2
159.11725	10.0
161.09613	9.0
161.10791	2.6
163.11194	7.1
165.09102	9.4
167.10674	3.1
169.12271	9.1
171.11717	6.0
173.13286	2.7
175.11133	5.8
177.09142	17.4
185.13243	4.0
187.11145	2.4
189.12810	2.4
195.11748	2.8
201.10599	4.7
221.67387	2.8
227.17938	5.3
245.19080	5.4
255.17467	5.1
273.18463	23.6
305.17950	4.5
305.21164	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.211
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03935	9.3
55.01877	21.6
55.05511	38.1
56.96558	3.6
57.03421	10.6
57.07062	4.5
59.04985	3.9
65.03948	4.7
66.30572	3.1
67.05506	59.8
69.03417	12.3
69.07072	29.7
71.04987	7.4
71.16468	3.6
71.57938	3.9
79.05489	57.6
81.03406	13.4
81.07050	49.7
83.04999	16.7
83.08601	15.9
85.06542	4.7
91.05479	74.0
93.07048	68.2
95.04964	29.7
95.08604	52.0
97.06516	15.1
97.10172	4.4
99.08154	3.6
103.05469	5.4
105.07028	50.7
107.04211	5.2
107.04955	80.6
107.08606	33.4
107.66991	3.9
109.06521	33.5
109.10166	16.5
111.04463	4.4
111.08055	6.0
115.05398	4.5
115.07624	3.9
117.07026	23.2
119.04930	6.3
119.08573	40.5
121.06505	21.2
121.10155	21.4
123.04431	7.5
123.08076	15.9
123.11677	3.4
125.05995	4.6
125.09615	7.9
128.06218	7.5
129.07028	23.3
131.08562	36.0
133.06470	16.2
133.10141	26.0
135.08051	44.5
135.11644	5.5
137.06006	15.7
137.09605	25.4
139.07565	4.4
141.07043	3.7
142.78671	3.5
143.08563	18.0
145.06490	7.2
145.10132	31.8
147.08035	16.3
147.11690	8.4
149.05936	5.1
149.09615	35.0
149.13243	4.1
151.11185	4.3
157.10130	19.8
159.08049	6.3
159.11649	14.6
161.05959	4.1
161.09558	19.0
163.11150	11.3
165.09123	5.9
171.11668	13.1
175.11201	15.5
177.12651	5.0
181.10124	5.1
185.13234	5.2
187.11212	4.1
189.12766	9.4
195.11731	4.1
199.11108	6.2
203.14337	5.7
220.06425	3.6
227.17917	6.3
255.17491	9.3
273.18472	49.0
287.16409	12.3
287.20035	23.4
305.17456	12.2
305.21103	100.0
305.26456	17.0
305.31506	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
52.74666	1.5
53.03933	2.6
55.01853	3.5
55.05507	14.5
57.03419	1.8
59.04975	2.4
65.03923	1.8
67.05503	14.1
69.03406	2.4
69.07056	8.5
70.71473	4.7
71.04990	4.0
79.05483	18.6
81.07046	17.3
83.04967	2.2
83.08603	4.2
85.06532	2.4
91.04955	2.5
91.05472	22.7
93.07040	14.7
94.04221	1.7
95.04952	6.8
95.08595	10.9
97.06544	4.4
97.10166	2.5
103.05437	1.9
104.84537	1.6
105.07025	22.3
107.04942	5.0
107.08588	11.3
109.06507	8.6
109.10139	4.2
111.04386	4.5
113.06019	2.1
115.05460	3.4
117.06998	10.0
117.52576	1.5
119.08560	16.7
119.09365	2.4
121.06492	20.6
121.10148	5.2
123.04411	2.3
123.08060	4.5
125.05984	6.9
126.06781	7.4
128.06241	2.4
129.06989	5.4
131.08537	15.2
133.06493	4.2
133.10109	10.8
135.08055	14.2
135.11656	2.9
137.06000	8.7
137.09602	1.7
139.07520	4.3
143.08553	7.0
145.06476	2.0
145.10089	12.2
147.08031	9.0
147.11615	3.9
149.09584	4.7
151.07492	4.3
157.10100	5.4
159.11716	4.8
161.09631	10.9
163.11151	7.9
165.09119	2.9
166.74763	1.6
171.11665	5.0
173.09550	2.1
173.13281	2.1
175.11180	7.4
177.12698	4.1
179.10591	2.0
181.12321	1.6
186.77484	1.4
189.12758	3.0
193.12285	5.3
195.13799	1.6
207.13783	11.2
245.18951	3.1
259.20526	2.1
263.16592	1.9
273.18494	9.7
277.21539	3.5
287.20016	3.5
305.21082	100.0
324.67081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.3
51.85075	2.6
53.03949	25.8
55.01875	19.9
55.05514	38.0
57.03426	2.9
59.05004	3.2
62.24873	2.8
65.03915	4.7
67.05503	81.1
69.03432	11.1
69.07072	11.6
79.05494	95.5
81.03417	42.6
81.07059	100.0
83.04987	34.0
83.08610	10.2
85.06536	12.0
91.05479	71.2
92.12830	2.8
93.07044	84.1
95.04964	34.0
95.08604	48.2
97.06525	5.6
97.10130	3.7
98.20618	6.7
99.08048	3.6
105.07026	55.8
107.04288	5.2
107.04962	63.2
107.08601	61.6
109.06541	10.8
109.10163	12.9
111.04495	4.9
115.05464	5.8
116.06295	4.3
117.07010	47.7
119.08578	36.7
121.06507	33.5
121.10133	38.8
123.08079	18.7
125.09605	3.9
129.07022	12.5
131.04967	12.7
131.08571	71.6
133.06497	67.4
133.10138	28.0
135.08043	42.3
135.11707	11.1
137.09657	6.2
141.07011	3.2
143.08536	7.6
145.06451	3.8
145.10100	20.4
147.08066	20.4
147.11690	6.6
149.09624	74.4
149.13184	3.6
151.11218	5.8
157.10153	11.5
159.08057	28.8
159.11708	12.3
161.09631	20.4
163.11235	10.4
169.10101	3.4
171.11685	12.2
173.09612	6.8
175.11211	12.5
177.09113	53.2
177.12762	3.7
179.10577	3.5
185.13197	4.2
189.12817	4.4
199.11163	4.3
213.16394	3.2
227.18091	6.2
237.16589	3.1
245.19026	9.0
255.17574	7.3
273.18484	44.0
273.21243	4.0
305.21082	60.9
306.21616	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
52.94614	3.7
53.03934	9.8
55.01874	19.6
55.05513	40.0
57.03428	9.0
57.07056	6.3
59.04993	13.0
67.05505	51.4
69.03419	16.7
69.07055	21.1
71.58762	5.5
79.05492	72.8
81.03410	8.9
81.07054	66.9
83.04969	11.1
83.08611	18.6
84.16096	3.6
85.06545	15.0
91.05476	81.9
93.07040	64.8
95.04967	30.7
95.08599	45.9
97.06512	12.7
97.10185	19.1
103.05450	5.0
105.03445	4.1
105.07021	56.5
107.04948	50.4
107.08575	38.2
107.69349	4.3
109.06541	17.8
109.10164	25.3
111.08096	5.6
115.05426	10.2
116.06211	4.0
117.07014	42.9
119.08563	67.4
119.09365	5.2
121.06477	22.4
121.10125	25.7
123.08048	16.0
125.09654	18.2
128.06187	5.5
129.07011	22.7
131.08542	38.9
133.06490	15.2
133.10091	20.8
135.08049	57.2
135.11655	8.4
137.09619	44.9
142.07797	4.7
143.08530	22.0
145.06425	5.8
145.10104	34.6
147.08044	38.8
147.11694	11.5
149.06021	5.6
149.09660	26.6
150.10396	16.5
151.11174	15.7
155.08498	3.4
157.10103	14.5
159.08047	12.6
159.11665	10.8
161.09636	22.0
161.13246	4.6
163.11179	15.0
165.09129	15.3
167.10669	10.9
167.20609	3.8
169.12102	3.8
171.11720	14.6
173.09604	6.0
173.13254	4.3
175.11185	10.9
177.12798	8.0
181.10077	5.2
185.13260	4.7
186.66045	3.3
187.11229	4.4
189.12794	3.6
190.96330	5.9
197.13301	7.5
199.11102	7.2
203.12801	13.6
205.12225	11.4
213.12724	4.3
213.16338	4.0
215.14360	4.5
217.15964	3.7
227.18004	5.0
231.13834	12.1
237.16420	5.4
245.19057	10.3
249.14853	4.0
255.17418	15.5
273.18521	64.6
287.16629	8.3
287.20038	25.2
305.17725	4.9
305.21072	100.0
305.24557	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1743
Annotation	Miliusol
Peak:m/z	Relative Intensity
51.02339	3.7
53.03934	6.4
55.01871	12.1
55.05503	34.2
57.03434	94.1
65.03937	5.0
67.05503	45.2
67.05840	6.0
69.03417	7.7
69.05265	4.0
69.07059	16.3
69.65472	33.4
71.04978	6.8
79.05479	49.5
81.03405	17.6
81.07048	62.0
83.04971	8.2
83.08605	12.7
84.66915	3.5
91.05477	60.2
93.07050	35.7
95.04958	48.8
95.08593	28.5
97.10178	7.5
99.04425	6.9
103.05483	6.4
103.89101	3.7
105.07022	40.8
107.04952	32.0
107.08589	22.8
109.06513	100.0
111.08051	5.5
115.05456	4.7
117.07012	21.6
119.04939	7.1
119.08589	28.0
121.06517	20.7
121.10120	13.4
123.04451	9.3
123.08069	12.5
125.05940	6.3
125.09666	5.0
129.06976	16.8
131.04913	8.0
131.08554	26.6
133.06491	17.8
133.10106	12.1
135.04457	5.4
135.08052	42.8
137.05960	64.0
137.09599	5.8
141.07036	4.4
143.08539	12.4
145.06479	8.4
145.10109	13.2
147.08000	18.9
147.11667	9.1
149.05963	15.7
149.09642	23.9
151.07539	16.4
157.10127	8.2
159.08051	11.6
159.11679	7.7
161.05968	21.2
161.09587	10.8
163.07491	8.5
163.11142	5.2
165.09044	4.3
171.08134	4.4
171.11659	7.4
173.09567	8.2
175.07498	40.8
175.11313	5.3
177.09129	12.7
185.09570	5.2
185.13252	7.4
187.11053	9.9
189.09094	18.6
193.12187	4.7
203.10681	5.4
203.14345	5.9
213.12679	9.4
213.16258	5.5
215.10716	4.3
231.13782	39.4
231.17305	4.9
241.15897	10.0
249.14841	9.5
259.17001	22.6
269.15384	18.4
277.17676	5.2
287.16385	55.9
305.05585	9.0
305.17557	70.2
305.21118	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1745
Annotation	9beta-Propionyloxy costunolide
Peak:m/z	Relative Intensity
53.03933	5.6
53.31941	1.9
55.01870	11.3
55.05507	17.7
57.03432	22.4
64.44793	2.2
65.03926	2.5
67.05501	20.6
68.99757	2.9
69.03404	5.8
69.07062	5.4
70.10796	7.2
71.04998	2.6
79.05491	17.5
81.03433	5.3
81.07046	16.6
83.01334	7.5
83.04983	13.0
83.08599	5.3
84.68782	1.9
91.05487	23.8
92.68158	2.2
93.07037	16.4
95.04958	15.3
95.08586	8.6
97.06521	3.6
97.10187	4.9
99.04463	4.1
105.03369	3.3
105.07016	15.8
107.04945	12.8
107.08589	8.7
107.64521	2.0
109.06530	15.9
109.10129	5.3
111.04443	11.0
111.08092	2.2
117.07014	6.2
119.04929	4.2
119.08573	8.6
121.02841	2.2
121.06493	8.5
121.10138	5.0
123.04416	11.1
123.08037	5.0
125.06024	2.9
125.09622	3.3
128.06212	2.5
129.06996	8.8
131.08585	5.7
133.06477	12.6
133.10149	3.2
135.08067	14.4
137.06001	5.1
137.09590	4.6
143.08536	4.0
145.06509	4.3
145.10104	3.9
147.04402	4.0
147.08020	9.1
147.11673	3.3
149.05984	27.5
149.09714	4.3
151.07523	2.8
157.10118	5.4
159.08066	2.7
161.05948	7.1
161.09677	5.1
163.07576	6.6
171.08051	3.9
171.11710	2.1
173.09637	3.9
175.07596	13.6
175.11177	3.5
177.09067	5.5
179.07047	2.4
183.11649	2.5
185.09622	4.4
189.09108	6.0
191.07079	5.4
195.11725	2.0
199.38205	2.0
203.10764	4.1
203.14360	2.2
213.12747	3.3
215.10875	2.0
223.29173	1.9
231.13797	38.5
241.15868	4.2
249.14850	6.9
259.16995	9.2
269.15320	6.0
277.18030	10.1
287.16348	30.9
305.17471	100.0
306.17932	2.6
306.26520	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01861	0.4
55.05511	1.0
67.05505	2.8
69.03447	0.6
69.07069	1.1
69.51527	1.3
69.51965	0.9
79.05489	1.4
81.03429	0.7
81.07053	3.2
82.07378	0.3
83.04980	0.3
85.06544	0.3
85.50647	0.3
89.38329	0.2
91.05476	4.5
93.05810	0.5
93.07037	4.2
94.06570	0.8
95.04979	2.8
95.08613	1.6
96.08138	1.1
97.06499	0.5
105.04507	0.4
105.07042	1.3
107.08586	1.2
108.04447	0.3
108.08120	1.7
109.06543	0.7
109.10160	1.2
119.08559	1.3
121.10135	1.0
122.06024	3.6
123.11696	0.8
124.07590	10.4
126.05522	1.5
131.08621	0.4
133.10115	0.9
135.08084	0.5
135.11671	0.3
136.07576	100.0
137.02295	0.4
137.07941	1.0
138.09142	0.6
140.07054	1.8
145.10132	0.6
147.11649	0.4
149.13301	0.4
150.05489	0.5
150.47569	0.3
152.07060	16.4
155.02275	0.3
157.10158	0.5
159.08139	0.3
159.11696	0.6
163.11232	0.3
164.07066	67.7
165.07393	0.7
166.08662	0.4
170.08142	2.9
173.13319	0.5
182.08121	12.4
193.60091	0.3
219.78856	0.3
242.11812	0.4
245.12901	0.6
281.94315	0.3
287.13867	3.6
305.05536	3.9
305.14944	0.8
305.21713	0.3
305.24780	1.6
314.18900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05507	1.0
67.05513	1.7
69.03416	0.4
69.07075	0.5
69.45893	3.2
70.53017	0.3
71.04984	0.4
77.03923	0.5
79.05492	1.3
81.03411	0.5
81.07046	2.2
83.08642	0.5
85.06535	0.4
91.05473	3.7
93.05791	0.5
93.07046	4.0
94.06598	0.4
95.04958	2.5
95.08591	1.5
96.08112	0.9
97.06537	0.8
98.97577	0.5
105.04504	0.4
105.07005	0.5
107.08552	0.7
108.08141	2.3
108.08768	0.4
109.06506	0.4
109.10130	0.7
116.98589	0.5
119.08567	0.6
121.10135	0.7
122.06053	3.0
123.11685	0.4
124.07588	9.3
126.05519	1.4
133.10068	0.5
135.11674	0.4
136.07571	100.0
137.07904	1.0
138.09148	0.4
140.07072	1.5
150.05536	0.5
151.11226	0.5
152.07063	16.9
153.01685	0.4
163.11176	0.4
164.07062	67.7
165.07404	1.1
170.08124	3.8
182.08116	12.1
242.11711	0.5
287.13892	3.0
305.05524	3.3
305.14685	0.5
305.24814	1.5
308.47021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.2
55.05504	4.1
56.96560	5.1
57.03417	2.9
62.70505	2.9
65.53381	2.8
65.87342	2.8
67.05517	4.2
69.03433	7.8
69.24773	31.2
70.06591	4.4
71.04993	13.2
72.56593	2.5
73.02892	3.4
74.06084	9.5
74.90320	2.6
79.05484	4.7
81.03416	4.3
81.07039	3.7
83.04989	3.9
85.02895	11.3
85.06534	4.3
87.76575	2.8
91.05495	3.9
93.07036	4.0
94.06557	8.2
95.04956	20.0
97.02892	4.8
98.97569	3.4
103.03917	3.1
107.04916	3.3
107.08598	12.3
108.08121	14.3
110.06043	9.0
116.07081	3.9
116.98613	4.1
118.06519	6.7
119.07326	8.0
120.08117	12.2
122.06038	7.0
123.04440	11.8
124.07594	5.9
125.09634	23.7
126.06020	2.4
127.03934	3.5
136.07568	100.0
137.09650	4.3
138.09142	3.9
142.08646	7.3
143.10638	17.8
146.05988	4.7
147.04453	3.3
147.06789	3.0
148.07579	7.5
149.02373	3.7
153.01814	33.4
161.07123	3.3
164.07056	41.3
167.10770	14.9
173.10783	3.3
177.00565	3.3
181.08815	3.3
201.10286	6.9
211.08762	3.6
212.09308	3.9
213.10229	5.2
213.13744	2.8
224.07202	2.9
225.10214	6.2
225.22127	2.6
226.10901	12.9
231.06493	6.7
241.09644	4.7
241.13330	27.1
249.28989	3.1
259.05933	6.3
259.14401	27.3
269.12833	45.9
287.13867	44.2
305.06497	3.0
305.11694	3.5
305.14923	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03942	1.0
55.01865	1.5
56.47460	0.9
61.14189	1.0
65.03932	2.2
67.01855	5.4
67.05495	1.9
67.43202	1.0
68.05721	0.8
68.69198	0.8
68.99791	3.6
69.03429	3.6
69.07050	1.4
69.13976	0.8
70.07377	0.9
70.63961	1.9
70.64331	1.7
81.03409	2.2
85.02895	3.0
91.05526	0.9
95.04953	3.6
97.02868	2.0
99.04463	0.9
105.03381	1.2
107.04932	1.1
111.00812	0.8
111.04448	2.8
116.98612	1.3
117.07063	1.3
121.02885	7.0
122.06018	1.3
123.04431	41.5
127.03921	6.3
128.06248	1.1
129.07056	1.1
133.02800	2.2
135.04367	1.6
136.07591	1.6
139.03899	3.3
145.06464	1.3
147.04393	1.9
148.98483	0.9
149.02344	32.8
150.03101	1.3
150.05440	1.1
151.03918	3.1
153.01828	100.0
157.06465	2.8
161.02351	2.4
161.05957	1.0
167.03415	7.2
171.02901	11.2
179.03392	3.0
184.09785	1.1
185.05949	4.1
187.08707	1.5
189.05482	1.1
195.02911	9.0
203.07112	1.4
213.05421	8.0
217.05087	1.5
224.07698	1.3
231.06520	24.5
233.08063	1.0
241.05000	3.5
258.05246	1.2
259.06033	25.2
287.05426	9.1
287.13882	1.6
305.06412	2.7
305.15601	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	Dihydromorin
Peak:m/z	Relative Intensity
53.03928	0.5
55.01859	0.6
57.03421	0.3
65.03928	0.3
66.88774	0.3
67.01859	2.5
67.05493	1.0
68.99778	2.7
69.03426	2.0
69.37830	0.3
70.80746	0.7
73.50480	0.3
76.10756	0.3
79.05501	0.4
81.03407	0.6
83.01297	0.7
85.02903	1.0
91.56559	0.3
94.06621	0.3
95.04941	2.0
96.08337	0.3
97.02887	1.3
98.97629	0.3
105.07018	0.6
107.04945	0.7
109.02881	0.3
111.00783	0.4
111.04426	0.8
116.98617	0.5
121.02865	0.8
122.06023	1.1
123.04422	15.2
125.09615	0.4
127.03886	1.3
136.07593	0.5
137.02339	0.6
139.03900	0.6
143.10675	0.4
147.04434	0.6
149.02348	4.5
150.05481	0.7
151.03880	0.6
153.01820	100.0
154.02139	1.1
157.06496	0.4
158.06116	0.3
161.02324	0.6
163.03902	0.7
167.03395	1.2
171.02881	3.4
175.03954	0.6
179.03377	3.6
185.05963	0.7
185.09979	0.5
189.05466	0.8
195.02908	1.4
199.83504	0.3
203.03497	0.4
203.07132	0.3
213.05502	1.4
217.04895	1.4
224.07822	0.4
231.06525	3.5
241.04965	0.7
245.04369	0.3
247.07382	0.3
249.65344	0.3
259.06024	3.5
259.10406	0.3
269.10104	0.4
287.05490	4.5
287.13879	0.5
305.05447	2.0
311.24295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2634
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03935	0.4
55.01865	0.9
55.05272	0.4
55.05513	6.9
56.05041	0.5
57.07054	0.6
63.27357	0.4
65.03934	0.8
67.05508	21.0
67.54119	0.4
69.06728	0.4
69.07069	5.9
70.71244	0.7
70.71613	0.8
72.04510	0.7
72.16916	0.3
79.05059	0.6
79.05495	7.6
81.00349	0.3
81.07061	14.5
82.06542	0.5
83.04983	0.4
83.08613	1.5
85.05296	3.5
86.06059	1.1
88.07609	0.4
91.05479	3.3
93.07050	7.0
95.04942	1.1
95.08612	10.2
96.08104	0.5
97.06509	0.4
97.10146	0.6
98.06059	19.8
98.09650	0.4
99.06849	0.7
105.07030	1.2
107.08598	3.0
109.06561	0.4
109.10162	3.7
110.09677	0.5
112.07619	2.6
112.11087	0.3
117.06955	0.5
119.08580	1.6
121.10155	1.8
122.27644	0.4
123.11607	0.5
124.07615	0.5
124.11228	0.5
124.69346	0.4
125.08368	0.4
126.09151	0.9
131.08554	0.8
133.10118	0.7
135.11684	1.2
138.09122	0.9
140.10657	0.8
142.91780	0.4
144.61752	0.4
149.09404	0.3
152.10692	0.8
154.12274	1.1
164.09816	0.4
168.13817	0.5
180.13942	0.6
182.15500	0.5
192.34462	0.4
194.15364	0.7
196.16922	0.8
208.16998	0.8
222.18546	1.1
236.20070	0.7
273.18417	0.4
304.26352	100.0
304.31729	2.6
305.26715	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
54.60635	0.4
55.01860	1.6
55.05521	2.6
56.05027	1.6
56.96564	21.5
57.03429	3.0
58.06575	1.0
61.02919	4.0
67.05505	2.2
68.05019	2.6
69.03428	11.5
69.07062	0.8
70.06591	5.4
70.98122	1.5
71.04979	2.0
71.56630	0.5
71.57025	0.8
71.95247	1.0
72.08157	3.4
73.02912	3.5
74.06084	0.5
74.97611	0.9
79.05482	1.9
81.03416	4.1
81.04533	2.7
81.07057	0.9
82.06577	5.0
83.01346	0.7
83.04967	1.6
83.06096	0.8
84.04498	1.6
84.08136	2.3
84.96045	1.4
85.02905	18.5
85.06534	0.8
86.03242	1.0
86.06068	0.8
86.09692	2.1
87.04472	2.4
88.99146	1.9
91.03949	1.0
91.05480	1.5
93.05771	0.7
93.07039	1.8
94.06544	0.6
95.04968	0.8
95.06089	1.4
96.08131	4.9
97.02888	9.9
98.06030	1.2
98.09690	1.2
98.97575	10.4
99.04458	2.1
100.03971	0.9
100.07646	0.8
101.00861	0.7
102.05548	0.7
105.07059	0.6
107.00200	1.7
107.04956	4.0
107.08649	0.6
109.02874	2.4
110.06039	1.2
110.07211	0.7
110.97572	0.9
111.04364	0.5
112.99193	0.6
113.02393	0.6
114.05531	2.3
115.03934	0.6
116.00228	0.8
116.07068	1.9
116.98620	12.2
119.01909	2.9
121.06526	0.8
122.06065	0.8
122.07133	0.9
122.09661	1.5
124.03950	1.0
124.07600	1.8
124.08714	1.3
124.11227	25.3
125.02357	0.6
125.07123	1.7
125.09631	7.6
127.03912	2.8
128.04268	0.6
128.98630	3.0
129.10214	1.2
130.08687	0.5
131.00183	1.5
131.01913	2.2
132.01990	0.6
133.01659	0.9
134.01222	0.6
134.99663	8.5
136.06192	10.5
137.03024	0.5
138.05490	1.0
140.07060	1.6
140.08115	0.7
141.01178	0.8
142.03204	0.5
142.04990	3.7
142.08659	7.0
142.12268	100.0
142.96542	1.1
143.00127	0.9
143.03435	0.8
143.08102	5.1
143.12579	1.9
144.98050	0.9
145.03397	1.1
145.04941	1.9
146.99664	4.1
149.01216	1.6
149.02858	1.1
151.02748	0.6
152.07063	0.5
153.00673	1.2
153.01814	1.4
155.01811	0.6
157.06354	0.6
158.99570	2.5
159.03244	0.6
160.97592	1.4
161.01175	3.0
161.02846	0.8
161.06596	1.0
162.99176	1.7
165.00693	2.1
167.02179	0.7
167.07036	0.6
170.99654	0.6
171.05104	0.6
172.04863	0.6
172.95322	1.0
172.97591	0.8
173.02956	1.8
174.99141	1.7
175.11919	0.8
177.00758	3.7
179.02225	1.3
185.02937	0.7
185.06726	0.8
185.09227	5.0
186.03600	0.6
188.97118	3.3
189.00703	2.1
189.04298	0.7
190.98613	4.3
191.02269	1.2
192.82085	0.6
193.00198	1.4
201.00635	0.9
202.04933	0.7
202.98643	2.5
203.03940	0.8
203.07645	1.5
205.00172	1.1
206.98155	2.9
207.01611	0.9
208.99696	1.5
215.07538	1.6
219.01779	1.8
219.05560	0.6
220.99669	1.3
221.05054	1.7
224.99149	0.7
230.98061	2.8
232.99641	2.0
237.02788	3.6
239.07578	1.0
248.99214	1.8
258.04352	0.6
260.07135	0.6
263.00681	2.1
281.01721	2.5
286.13742	1.4
286.16605	1.1
286.98328	1.1
295.06992	1.2
299.02686	0.6
304.10538	1.7
304.13992	3.9
304.17511	41.6
305.05713	0.8
305.12039	17.1
305.17776	1.0
309.08328	1.0
323.06458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65186	2.4
53.03967	3.0
55.05507	3.9
57.03427	9.8
58.06588	4.4
60.04511	11.3
62.16450	2.4
68.99760	2.7
69.03430	24.7
69.07060	61.7
69.40923	27.9
70.06604	3.7
71.08625	23.8
73.38148	2.9
79.05505	2.7
81.03424	13.3
82.29650	2.8
84.04478	6.1
84.49065	2.6
85.02901	85.8
86.02423	6.0
86.09711	3.1
89.37450	3.1
95.04955	4.2
97.02889	64.9
97.06536	9.5
98.21538	5.6
99.04448	3.8
99.92275	2.6
103.03944	6.6
103.05464	3.6
109.02880	21.8
114.09148	18.7
116.37248	2.8
121.02883	3.4
122.06042	3.3
123.04411	22.8
127.03923	23.9
138.09145	4.2
142.08626	95.9
145.04941	6.5
149.02342	13.0
152.06219	3.2
153.01826	76.1
156.10188	5.5
157.06517	2.8
157.76575	2.5
163.06010	3.0
165.07060	3.4
166.15251	2.6
167.08563	3.1
168.58905	3.2
171.02957	5.4
177.00645	2.6
179.03497	3.9
184.09682	100.0
194.07314	4.8
195.02820	4.3
195.08154	3.1
208.09669	23.1
211.07532	3.3
213.05525	4.5
220.09657	4.6
223.07507	39.0
231.06549	10.7
240.10191	3.1
241.08705	3.5
250.10777	12.8
259.06143	7.8
268.09644	11.8
287.05521	4.7
304.05304	23.4
304.13507	3.1
305.15750	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25456	0.4
53.03930	0.7
53.41484	0.5
54.95628	0.4
55.01860	0.6
57.03423	1.3
60.94474	0.4
61.02924	2.5
63.42115	0.5
67.05501	2.6
68.05019	0.9
69.03425	7.8
70.06588	1.0
71.04987	0.7
71.57226	0.7
73.02905	1.4
79.05505	0.5
81.03417	2.9
81.04540	2.1
82.06566	1.2
83.07354	0.4
85.02899	12.2
87.04456	2.4
91.03941	1.3
91.05466	1.1
93.07028	3.0
94.06554	0.5
95.06071	1.4
95.08582	0.8
96.08123	15.4
97.02888	4.9
98.09686	3.3
99.04451	0.9
109.02878	1.4
124.11221	40.4
125.07062	2.2
125.11612	0.5
126.45168	0.4
127.03902	2.5
135.63548	0.4
141.03055	0.4
142.12263	100.0
143.08130	8.4
143.12634	2.1
145.04938	1.5
172.96375	0.4
304.08096	4.3
304.17520	80.8
305.12000	1.2
305.17807	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05500	0.8
57.03418	0.7
58.06574	1.6
68.05021	0.7
69.03421	3.3
69.93129	1.1
69.93536	3.5
72.94176	0.7
77.79554	0.6
79.05495	5.9
80.05012	0.7
81.03410	1.5
81.05804	5.2
81.07040	4.4
82.02940	0.9
82.06596	0.6
85.02902	6.1
86.09686	2.7
95.04977	0.8
96.04484	1.8
96.07558	0.9
96.08126	10.5
96.08704	1.2
97.02879	2.0
98.97594	0.7
100.07616	1.0
106.06514	0.8
107.04946	1.5
109.02874	0.7
110.06068	0.7
112.07605	1.1
114.05541	0.8
123.04365	0.7
124.07581	100.0
125.07932	0.8
127.03902	1.2
142.08623	18.8
142.12222	0.7
153.01839	2.8
157.13347	0.8
185.09196	1.7
231.06616	0.8
305.11810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
53.39408	0.6
54.46920	0.6
55.01842	1.6
55.05513	3.8
55.91599	0.7
63.95440	0.7
65.03909	2.1
67.05507	6.7
68.99808	3.6
69.00162	0.9
69.03400	1.6
69.07063	4.0
71.04957	1.9
71.58168	1.2
79.05486	6.1
81.03393	2.0
81.07050	9.5
83.04960	1.8
83.08592	1.7
85.06516	0.8
91.05489	6.2
92.04996	2.3
93.03374	1.0
93.07044	7.4
94.06579	1.1
95.04967	5.3
95.08617	7.0
97.06518	2.0
97.10175	1.2
103.05450	0.8
105.07021	9.4
105.31055	0.7
107.04950	66.9
107.08571	6.4
109.02868	1.8
109.06488	2.2
109.10148	5.0
111.00767	2.4
111.04440	1.4
111.08073	0.9
111.09486	0.7
115.05458	0.9
117.06990	3.1
119.08582	7.2
120.04428	2.0
121.02821	1.9
121.06491	1.8
121.10138	5.6
122.06022	4.0
123.04472	1.5
123.07990	1.2
123.11713	1.8
124.07578	1.3
125.09601	0.9
127.03935	1.0
128.06207	1.1
129.06985	1.8
131.04903	1.2
131.08543	3.0
133.06456	1.5
133.10121	6.1
135.08067	1.7
135.11676	2.5
136.07567	2.1
137.02350	8.2
137.05946	2.7
137.09607	1.0
138.05518	6.0
138.06474	1.1
138.09128	4.5
141.06992	0.8
143.08519	2.2
144.09273	0.7
145.06458	2.1
145.10126	4.2
147.04427	1.6
147.11671	4.6
149.02377	1.3
149.05920	1.8
149.09621	1.3
149.13177	1.4
151.11168	1.1
153.01814	11.4
153.06953	1.0
155.04881	1.4
157.10089	2.1
159.11661	4.3
160.07590	1.0
161.05957	5.7
161.09631	1.1
161.13231	2.5
163.03853	2.2
163.07507	1.9
163.11168	1.5
164.07079	2.3
165.01834	5.3
165.07014	1.4
166.04984	7.5
169.08789	1.1
169.10075	1.1
170.09613	0.9
171.10410	1.0
171.11673	0.8
173.05919	2.5
173.07114	2.9
173.13246	1.3
175.03851	1.3
177.05444	0.9
177.09016	1.0
177.12744	1.0
179.03455	1.0
179.07014	27.2
180.07457	1.1
183.02875	2.0
183.04364	1.5
183.08017	1.6
184.11244	1.8
186.09003	1.0
186.11432	1.7
186.12904	1.4
187.03853	1.6
187.08652	1.4
187.12379	0.8
187.14775	1.7
189.10355	1.1
189.16379	1.3
191.03377	0.9
196.07520	0.9
197.08263	1.7
199.08574	2.0
199.14737	1.2
200.09341	1.8
201.05428	6.3
201.10248	1.8
201.13951	8.0
201.15733	1.1
202.12277	1.0
205.05034	0.9
211.07536	0.8
212.10707	5.6
213.06744	0.9
213.10228	1.2
214.10793	2.2
214.12379	2.3
215.11873	1.5
219.06334	1.0
227.08228	1.4
228.04152	0.9
228.06398	0.8
228.08864	2.2
229.04951	10.6
229.09671	2.4
229.13347	36.8
230.11646	1.3
230.13744	1.3
239.11856	0.9
240.10196	1.9
241.09779	1.5
242.10477	3.1
243.11502	3.5
247.06046	1.3
255.11385	1.3
257.04404	7.2
257.12833	100.0
258.10843	4.1
258.13672	3.6
259.14450	3.6
267.20999	1.2
268.09573	0.8
271.09586	1.0
272.11459	2.4
274.04749	1.2
274.09399	1.9
275.13846	2.7
285.04205	1.3
285.07837	1.6
285.11749	12.1
285.22217	1.8
286.10904	1.4
303.04965	93.0
303.13324	32.4
303.20016	1.0
303.23105	8.1
304.05179	6.0
304.11603	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01857	2.1
55.05501	1.3
65.03922	1.9
67.05491	2.2
68.99777	5.1
69.03425	1.9
69.07057	1.2
71.05008	0.9
71.47227	1.3
79.05482	3.0
81.03409	1.8
81.07053	4.5
83.08563	0.8
88.19501	0.8
91.05472	6.2
93.07040	6.6
95.04961	4.2
95.08590	2.6
97.02862	1.4
97.06455	0.8
103.05426	4.3
105.07021	3.3
107.04948	6.6
107.08575	3.0
109.02843	1.2
109.10159	1.7
111.00805	2.2
119.04941	1.0
119.08562	2.9
121.02839	2.3
121.06498	8.1
121.10134	2.1
123.04401	4.7
123.11716	1.2
129.07007	1.3
131.04910	3.0
133.10095	1.9
134.03656	0.8
135.08093	0.9
137.02322	7.7
137.05994	1.0
145.06427	1.4
145.10120	1.5
147.04434	1.9
147.11641	0.8
149.05974	100.0
150.06311	2.2
151.07559	1.3
152.31134	0.8
153.01820	11.6
155.04906	1.4
159.11694	1.2
161.05966	2.1
161.13191	1.0
163.03908	2.7
165.01840	4.1
167.07037	53.4
168.07425	1.4
173.06027	2.6
175.07541	2.9
175.11044	1.0
176.08379	0.8
179.06985	2.0
183.04471	1.9
199.14742	1.2
201.05553	4.9
219.06473	0.9
228.04247	1.0
229.04913	9.3
247.06145	1.8
257.04410	5.8
267.09949	0.9
271.09717	0.9
274.04764	1.4
285.04022	2.4
285.11215	24.5
285.22159	1.5
303.04968	91.7
303.12622	2.6
303.23178	2.0
304.05435	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.70858	0.7
55.01858	1.4
55.05502	2.4
57.03431	0.6
57.07063	0.6
64.53937	0.6
65.03929	3.0
67.05501	4.6
68.99784	3.0
69.03427	1.2
69.07060	2.2
71.04988	1.2
71.17744	2.0
71.18121	0.8
79.05477	3.3
81.03407	1.6
81.07047	7.8
83.04964	1.5
83.08595	0.9
85.06545	0.8
91.05470	5.3
92.05017	0.8
93.07037	4.8
93.61433	0.6
94.06532	1.6
95.04967	4.7
95.08604	6.0
97.06523	0.7
97.10183	1.0
103.05451	0.7
105.07023	6.4
107.04945	100.0
107.08577	5.3
108.05287	1.4
109.02863	1.2
109.06519	1.5
109.10140	4.7
111.00787	1.7
111.04469	0.7
117.07028	2.4
119.08558	5.4
120.04460	1.3
121.02856	1.8
121.06492	1.4
121.10139	4.0
122.06015	1.4
123.04415	1.0
123.08052	1.5
123.11697	1.7
124.07681	0.7
129.07008	0.8
131.04889	0.8
131.08549	2.2
133.02815	0.6
133.06454	1.7
133.10112	4.1
135.04401	0.9
135.08061	1.2
135.11684	2.4
136.07541	0.6
137.02345	7.5
137.03307	1.1
137.05962	2.7
137.09593	1.4
138.05525	4.1
138.09146	2.7
141.07065	0.8
142.07742	0.8
143.08563	1.8
145.06487	1.7
145.10118	2.2
147.04367	1.7
147.11655	4.9
149.02464	0.7
149.05937	1.3
149.09586	0.9
149.13281	1.8
151.07478	0.9
153.01823	9.5
155.04900	1.0
157.10095	0.7
159.11679	3.3
161.05969	6.8
161.13248	3.5
163.03905	1.6
163.07561	1.8
164.07092	1.7
165.01846	4.5
165.09097	1.4
166.04977	6.4
170.09700	0.9
171.11687	1.2
173.05984	1.8
173.07214	1.4
173.13264	1.7
175.03873	1.5
177.09140	0.9
179.07019	44.2
180.07384	0.8
181.08704	0.7
183.02898	1.7
183.04443	1.0
184.11195	1.6
186.11488	1.6
187.03963	1.0
187.08711	0.8
187.12373	0.7
187.14824	1.2
189.10211	0.9
189.16431	1.0
199.08604	1.0
200.09416	1.2
201.05403	4.0
201.10318	1.2
201.13892	3.3
201.16191	1.1
202.12277	0.8
207.13821	0.7
211.07465	1.4
211.14882	1.1
212.10703	2.9
213.05438	0.8
213.10249	0.7
213.16312	0.7
214.12463	1.2
215.11913	1.6
217.15938	0.7
227.08064	0.9
228.04292	0.8
228.08972	1.6
229.04929	10.4
229.09790	1.4
229.13361	16.7
229.15559	0.7
229.19406	1.0
230.05292	0.8
230.11739	1.5
230.13754	1.0
233.15337	0.8
239.06854	0.7
240.10214	1.5
241.09787	1.1
242.10420	1.5
243.11424	3.7
247.06026	0.8
257.04300	4.6
257.08203	3.2
257.12823	54.3
258.11176	2.2
258.13330	1.9
259.14371	1.5
267.10300	0.7
272.11551	1.4
274.04654	1.3
274.09479	1.3
275.13892	1.2
285.03964	2.4
285.07639	1.5
285.11166	17.2
285.22156	1.9
303.04959	83.5
303.13315	24.3
303.19876	1.3
303.23059	8.8
304.05252	4.9
304.11523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01846	2.8
55.05509	53.6
55.21600	2.9
56.96560	8.8
57.03433	5.1
57.44542	2.9
67.05517	3.6
69.03078	5.7
69.03430	64.3
70.06593	3.3
70.86387	6.9
71.04983	6.6
72.08141	4.2
73.06554	100.0
81.03424	30.0
81.07025	3.6
83.04994	3.2
85.02892	22.5
86.09689	3.9
87.00825	5.4
93.07037	3.5
95.04984	8.5
97.02884	23.7
98.97581	4.7
99.04450	19.8
101.06016	68.8
109.02885	9.6
111.04435	6.4
112.07613	2.9
113.02315	3.6
116.98605	7.3
127.03943	14.9
127.30930	2.9
134.99638	5.8
141.05502	3.3
141.07484	3.8
143.03391	19.2
144.10294	3.3
145.04910	3.8
153.01801	4.1
183.08397	6.0
199.09653	4.1
209.20940	3.1
211.07564	4.1
213.03989	3.4
213.28488	2.9
231.05099	5.2
237.02922	5.2
255.16277	3.4
257.04321	3.8
279.06924	3.2
285.09811	6.0
292.91956	3.1
303.01605	5.0
303.04947	28.1
303.10620	11.3
303.14111	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86428	0.8
53.03941	1.2
54.54583	0.7
55.01860	1.4
55.05504	1.7
57.58719	0.9
65.03922	1.2
67.05504	3.8
67.05804	0.7
68.99792	10.2
69.03425	2.1
69.07059	3.1
69.36392	8.3
69.36732	1.6
71.05000	0.9
79.05497	8.0
81.03410	1.9
81.07050	12.5
83.04989	1.1
83.08618	0.9
85.06590	0.9
91.05484	8.5
93.03419	0.9
93.07037	12.9
95.04973	4.4
95.08611	5.8
97.06539	0.8
103.05455	5.2
105.07040	7.7
106.73145	0.8
107.04942	1.3
107.08604	6.4
109.02836	1.3
109.06480	1.7
109.10140	3.6
111.00781	1.7
111.04370	0.7
111.08025	0.9
117.06975	1.9
119.04958	0.8
119.08589	8.3
121.02873	2.5
121.06494	11.7
121.10149	5.5
123.04404	3.3
123.08138	0.9
123.11697	1.5
126.02361	0.9
127.70580	0.8
129.07011	1.7
131.04932	4.0
131.08539	1.5
133.10114	4.7
135.04417	1.5
135.08040	1.1
135.11700	4.3
137.02345	7.8
137.05972	2.3
137.09505	0.8
138.21661	0.7
139.44022	0.7
145.06482	1.1
145.10121	3.2
147.04387	2.3
147.08037	1.0
147.11681	4.3
149.05977	100.0
149.13277	2.1
150.06352	1.9
151.07526	1.6
153.01820	10.4
155.04915	1.3
157.10091	1.7
159.11664	2.4
161.05998	1.1
161.09647	1.0
161.13249	2.3
163.03943	1.9
163.07506	1.8
165.01825	3.9
165.06979	1.2
166.02605	1.0
167.07037	52.0
168.07399	0.9
171.11668	1.4
173.05991	2.7
173.13261	1.9
175.07542	2.7
175.11183	1.0
175.14862	1.3
183.02850	1.7
187.03851	1.2
187.14803	1.1
189.16400	1.3
199.14835	1.6
201.05411	5.4
201.16333	1.0
211.14825	1.1
228.04211	1.2
229.04971	10.5
229.13338	1.8
229.15788	0.9
229.19563	2.3
243.11296	0.9
247.05963	1.0
247.16930	1.2
256.07230	1.2
257.04431	5.7
257.12943	5.1
261.11221	1.3
267.09991	1.7
274.04709	1.7
285.04022	2.5
285.11154	20.2
285.22211	2.0
303.04987	94.1
303.12573	2.8
303.19852	1.2
303.23123	7.4
304.05304	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	31.9
57.03428	19.6
61.02922	41.2
69.03423	46.9
69.52100	58.0
69.52509	20.0
70.06595	18.1
71.04964	12.1
73.02908	16.8
81.03393	8.8
84.08179	12.9
85.02905	100.0
97.02879	30.1
98.06060	10.2
98.97582	69.3
99.04451	11.5
99.64369	10.5
109.02822	11.8
110.97598	11.1
116.98604	35.9
119.01849	30.5
124.11210	10.8
127.03914	17.6
128.02313	36.5
128.98592	10.7
131.01869	12.8
134.99654	8.6
137.02888	10.7
140.07117	13.0
140.08139	9.7
142.12308	29.7
146.99629	13.6
158.99649	14.4
170.99614	8.4
173.06116	8.9
177.00710	15.8
183.02394	16.5
189.00732	14.6
191.03918	15.4
193.00258	17.3
202.98630	15.0
204.02869	19.6
213.03375	20.8
214.85605	8.4
219.01683	12.4
303.05093	68.0
303.08127	15.4
303.15820	11.6
304.17599	16.4
319.61212	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15108	3.1
53.03934	4.9
55.01859	3.3
55.05484	7.6
56.05020	3.3
56.96566	34.6
57.03436	5.5
61.02900	3.9
67.05502	6.9
69.03429	24.8
69.95432	19.3
70.06577	13.1
71.04989	4.7
72.08154	4.7
73.02923	4.3
73.06535	15.3
74.76230	3.7
78.61588	3.3
81.03412	13.4
81.07019	4.6
83.04957	6.4
83.06097	11.6
84.08128	13.0
84.96011	6.4
85.02900	34.3
86.09701	7.6
91.05524	4.2
93.04527	9.2
94.78381	4.2
96.08117	5.1
97.02883	18.2
98.97583	80.4
99.04466	6.1
101.06011	8.8
107.04927	18.3
109.02873	7.8
110.07166	85.6
116.98610	100.0
121.02812	4.7
123.04417	16.4
123.08064	6.8
127.03883	5.2
128.98605	8.2
130.08687	4.2
130.39131	4.3
134.06001	4.3
134.99648	72.1
136.07559	4.6
141.05333	14.0
142.08635	6.0
145.05043	3.7
146.99638	14.6
152.07071	4.3
153.00665	9.5
153.01816	7.0
156.07703	5.4
158.01199	5.6
158.99643	33.7
159.03229	6.2
161.01208	5.3
177.00719	77.1
177.04239	9.6
195.01741	7.6
200.02280	8.0
219.01714	16.5
229.04990	5.2
237.02815	28.4
303.01468	8.3
303.04825	43.1
303.07321	4.4
303.10651	43.2
303.14081	7.1
321.08652	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01860	13.7
55.05506	10.3
56.96563	48.8
57.03437	34.1
61.02925	63.2
69.03425	65.5
70.06589	8.0
70.70195	13.3
70.98093	10.0
71.04988	9.1
73.02920	28.3
73.06541	12.7
81.03418	12.6
84.96004	5.6
85.02900	96.4
87.04498	4.5
93.30149	4.0
97.02886	48.1
98.01234	5.9
98.97581	100.0
99.04442	13.1
101.00755	4.8
101.02409	5.0
101.06016	13.7
104.01289	5.0
106.45786	4.4
109.02879	8.0
110.01283	9.5
110.97559	12.1
116.98609	50.7
118.00977	7.2
119.01786	34.7
127.03941	25.1
128.02295	43.6
128.98590	24.2
134.99654	17.4
137.02817	15.3
142.96532	12.0
143.00116	8.0
145.04993	11.0
146.99675	21.1
152.02242	5.2
153.01270	9.8
154.02065	4.4
158.99652	18.8
160.97714	4.9
161.01270	6.9
161.02776	5.3
162.01787	15.1
165.00703	12.5
169.02556	7.9
170.99663	11.1
171.02415	7.6
174.01691	5.5
174.99141	9.1
177.00708	18.0
181.02597	6.9
182.03375	12.7
183.02333	27.5
184.97647	10.2
185.09196	6.3
188.97079	16.6
189.00746	26.0
190.98671	9.5
191.03888	16.7
192.02890	11.5
193.00172	15.9
200.04390	5.8
201.00681	11.0
202.98624	9.6
204.02890	20.1
205.00256	12.1
206.98137	15.8
207.01799	10.6
209.04727	4.6
213.03372	41.9
213.05173	8.7
217.00157	8.5
219.01772	15.0
220.99716	9.7
222.03845	18.9
222.54187	5.8
230.98177	23.0
232.99744	7.5
235.01210	6.0
237.02788	16.5
247.01271	8.3
248.99146	6.4
263.00775	12.4
263.04248	6.2
275.00684	5.7
281.01743	8.2
281.05017	5.3
299.75854	4.7
303.04929	19.0
303.10397	5.3
305.01749	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01853	0.8
55.05492	1.2
57.07048	0.3
65.03931	1.0
67.01842	0.3
67.05489	1.2
68.99792	3.0
69.03409	0.6
69.07057	0.7
77.03879	0.3
79.05492	1.6
81.03397	1.2
81.07053	2.2
83.04982	0.5
83.08607	0.5
85.02908	0.3
85.06530	0.3
91.05453	1.6
93.03390	0.6
93.07052	2.8
95.01351	0.7
95.04961	1.8
95.08604	1.5
97.02903	0.3
97.06500	0.3
98.82549	0.3
100.11234	1.2
103.05458	0.9
105.03397	0.4
105.07034	1.6
107.01311	0.4
107.04945	1.8
107.08582	1.1
109.02908	0.6
109.06516	0.5
109.10136	0.9
111.00780	1.0
111.04436	0.8
113.02352	0.3
115.05484	0.6
117.06998	0.9
119.04910	0.5
119.08572	1.2
121.02866	9.5
121.06488	1.8
121.10119	1.0
123.00774	1.2
123.04433	1.0
123.08045	0.4
125.02303	0.5
127.03900	0.6
128.06209	0.5
129.07043	0.5
131.04915	2.2
131.08568	0.9
133.10136	1.1
135.04369	0.8
135.08018	0.4
135.11682	0.5
137.02333	5.0
137.03401	0.5
137.05943	0.5
141.11475	0.3
143.08536	0.4
144.66496	0.3
145.06493	1.5
145.10130	0.8
147.04414	0.6
147.11682	1.0
149.02348	0.6
149.05975	11.6
149.09677	0.3
151.07469	0.6
151.96028	0.3
153.01825	9.3
153.06987	0.4
155.04935	1.3
155.08580	0.6
157.06464	0.4
157.10164	0.3
159.04385	0.6
159.11752	0.6
161.06000	0.7
161.13232	0.3
163.03865	0.9
163.07520	0.4
163.11169	0.3
165.01834	2.5
165.06995	0.9
166.02621	0.3
167.07039	6.7
169.01331	4.1
173.06010	2.4
175.07538	0.5
179.03342	0.6
181.01312	1.0
181.06445	0.4
183.02881	1.1
183.04419	1.4
183.07968	0.8
187.03955	0.9
187.14902	0.5
191.03450	0.4
196.05180	0.5
197.13098	0.4
198.09114	0.3
199.14821	0.6
201.05473	3.4
205.04927	0.6
211.03940	0.6
211.07549	0.9
219.06483	0.5
224.48544	0.3
228.04161	0.5
229.04970	7.6
229.15941	0.4
233.04353	0.3
239.07047	0.4
243.10110	0.3
245.04324	0.3
246.05351	0.4
247.05957	1.2
257.04428	7.2
257.12799	0.8
258.04892	0.4
271.09650	0.8
274.04697	1.4
275.05399	0.6
285.03943	5.0
285.11145	2.7
285.22055	0.6
303.04977	100.0
303.23016	1.2
304.05322	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.93411	0.3
55.01857	0.3
55.53240	0.2
59.24756	0.2
60.84413	0.2
65.03944	0.6
65.04253	0.2
67.01859	0.4
68.99786	2.9
70.70959	0.7
74.76824	0.3
81.03408	1.0
93.03392	0.8
93.58031	0.3
95.04977	1.0
105.03417	0.4
107.04948	0.3
107.19833	0.2
109.02235	0.2
109.02872	1.5
111.00816	2.0
115.05474	0.2
116.08812	0.3
117.07048	0.4
121.02862	2.1
123.04395	0.7
127.03929	0.8
131.04903	0.5
131.08432	0.2
135.04436	0.5
137.02338	9.0
137.03363	0.4
143.17696	0.2
145.06505	1.0
149.02315	1.1
153.01822	11.7
155.04869	1.3
159.04329	0.3
161.06007	0.8
162.10555	0.3
163.03963	1.6
165.01830	4.1
165.03099	0.4
166.02573	0.5
173.06004	1.6
175.91753	0.2
179.03465	0.3
183.02890	2.1
183.04471	1.0
185.06085	0.2
187.03903	1.1
191.03432	0.4
195.02936	0.4
201.05440	5.3
205.05016	0.6
211.03911	0.4
215.03429	0.3
219.06580	0.8
228.04219	0.7
229.04965	10.8
239.03380	0.4
247.06067	1.2
257.04431	5.6
274.04724	1.4
275.05496	0.3
285.03928	2.5
303.04980	100.0
304.05347	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20924	0.2
55.01865	0.6
65.03923	0.7
67.01830	0.5
67.05487	1.1
68.99785	2.8
69.03410	0.5
69.07062	0.3
71.04970	0.4
71.12273	0.8
79.05481	0.5
81.03406	1.3
81.07048	1.4
83.08628	0.3
85.02856	0.4
91.05479	0.8
93.03409	0.5
93.07059	0.8
95.04945	1.3
95.08601	0.9
97.22263	0.3
105.03339	0.3
105.07017	1.0
107.04953	0.4
107.08589	0.9
107.84740	0.3
109.02861	1.7
109.10152	0.9
111.00818	2.0
115.05371	0.4
116.57873	0.3
117.07018	0.5
119.08588	0.6
121.02874	3.1
121.10113	0.5
123.04411	0.9
127.03932	0.4
131.04938	0.7
131.08569	0.5
133.06451	0.3
133.10170	0.5
135.04390	0.6
137.02330	8.5
137.03374	0.3
137.05960	0.3
145.06471	0.9
145.10110	0.6
147.11667	0.7
149.02351	1.1
149.13338	0.4
153.00571	0.6
153.01811	11.3
155.04857	1.0
157.10124	0.4
159.04341	0.4
161.05981	0.9
163.03842	1.5
165.01816	3.8
165.04370	0.3
166.02609	0.6
167.03317	0.4
167.07030	0.3
173.05995	1.9
179.03436	0.4
183.02888	2.0
183.04395	1.1
187.03929	0.8
191.03305	0.6
191.07045	0.4
195.02919	0.9
201.05457	4.8
205.04906	0.6
219.06453	0.6
228.04262	0.6
229.04942	9.5
239.03407	0.4
247.06084	1.5
257.04437	5.6
259.14587	0.3
274.04715	1.6
285.03940	3.3
285.12567	0.5
303.04974	100.0
303.23096	1.3
304.05334	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62465	0.5
55.01862	1.0
63.95490	0.4
65.03926	0.6
67.05499	0.9
68.99796	3.4
69.03426	0.7
69.49162	4.3
73.93752	0.4
81.03400	0.9
81.07053	0.6
82.42030	0.4
91.05473	3.4
93.03394	0.9
93.07064	0.5
95.04945	1.3
103.05485	0.6
107.04919	0.4
109.02839	1.7
111.00784	1.8
116.84027	0.5
117.06990	1.2
121.02882	3.5
123.04432	0.8
127.03901	1.1
128.06187	1.9
129.06996	1.9
131.04916	1.0
135.04381	0.5
137.02325	8.4
141.06955	0.6
143.08554	1.3
144.73093	0.4
145.06447	1.3
149.02383	0.9
152.07153	0.5
153.01817	11.5
153.06998	0.9
155.04898	1.6
157.06538	0.7
159.04552	0.5
161.05937	0.7
163.03879	1.8
165.01830	4.2
169.01331	1.3
171.07985	0.9
173.06021	1.9
179.03395	0.8
181.06480	1.5
183.02876	1.8
183.04407	1.4
187.03940	1.0
195.43721	0.5
197.05974	0.6
199.07570	1.7
201.05441	5.0
205.04805	0.5
207.02811	0.4
211.03766	0.5
217.08653	0.6
228.04108	0.8
229.04950	11.1
246.05153	0.6
247.05969	1.1
250.76173	0.4
257.04428	7.0
274.04688	1.6
285.03912	2.5
303.04974	100.0
304.05182	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34518	0.3
55.01859	0.5
58.49178	0.4
61.16271	0.3
65.03925	0.4
67.01866	0.5
67.05527	0.4
68.99791	4.3
70.12740	0.7
70.13135	1.0
81.03409	0.9
84.39935	0.3
91.05497	0.4
93.03393	0.4
95.04967	0.7
95.54173	0.4
98.64998	0.4
107.04965	0.4
108.29499	0.3
109.02873	1.5
111.00803	3.8
111.04438	0.4
117.07010	0.4
121.02864	3.5
123.04432	1.1
127.03922	0.9
131.04927	0.5
133.05035	0.3
133.06471	0.4
137.02335	10.5
145.06433	0.9
149.02342	5.0
153.00560	0.8
153.01817	15.3
155.04927	1.2
159.04381	0.5
161.05960	1.4
163.03882	2.6
165.01843	3.8
166.02609	0.6
167.03375	0.5
170.75926	0.4
173.05966	1.7
173.41801	0.3
177.01860	0.6
177.05424	0.6
179.03534	0.4
183.02899	2.5
183.04388	0.6
187.03909	1.5
191.03400	0.9
201.05467	3.3
205.04980	2.0
211.03587	0.4
213.05560	0.5
215.03293	0.4
219.02896	2.5
219.06468	0.6
225.02211	0.3
228.04109	0.5
229.04962	12.1
230.61775	0.4
233.04489	1.5
247.05936	2.2
257.04446	7.3
261.04019	0.5
274.04706	3.0
285.03888	2.6
285.07178	0.5
303.04987	100.0
304.05334	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03942	0.7
54.49018	0.3
55.01861	0.5
55.05494	0.7
56.96564	0.3
61.46363	0.3
62.28407	0.3
65.03925	0.9
65.20432	0.3
65.42971	0.3
67.01858	0.5
67.05501	2.6
68.99440	0.4
68.99785	3.4
69.03416	1.1
69.07059	0.9
70.06580	0.6
71.03099	0.3
71.03429	0.8
71.04986	0.7
71.08612	0.5
79.05480	1.2
81.03398	1.4
81.07045	2.2
84.04508	3.3
84.64772	0.3
86.09697	0.7
87.10023	0.4
88.11292	1.5
91.05481	2.3
93.03401	0.7
93.07056	1.8
93.74860	0.3
95.04964	2.8
95.08613	1.7
97.02856	0.5
97.06521	0.4
98.06034	0.7
103.05411	0.4
105.07005	1.3
106.06581	0.4
107.04943	0.8
107.08615	1.6
109.02867	1.6
109.10162	1.0
111.00803	2.8
115.05480	0.5
119.04947	2.1
119.08569	1.1
120.04359	0.3
121.02860	3.5
121.06480	0.4
121.10131	0.9
123.04416	1.1
123.08079	0.6
123.11669	0.4
125.06030	0.4
127.03899	1.1
128.06226	0.4
129.07010	0.5
130.05000	0.7
131.04926	0.7
131.07565	0.3
131.08507	0.5
133.06471	0.5
133.10135	0.6
135.04323	0.5
135.11705	0.4
136.07518	0.4
137.02336	9.8
137.03400	0.5
142.08678	0.3
145.06459	0.8
145.10109	0.7
147.04408	5.7
147.11690	0.6
149.02342	2.3
149.05975	0.9
149.09544	0.3
149.13254	0.4
151.03870	0.4
152.07048	0.4
153.01825	14.3
154.12260	3.7
155.04892	1.3
157.06467	0.6
157.10190	0.4
161.05962	1.2
162.05472	3.3
163.03897	2.5
165.01828	4.5
166.02606	0.8
167.06955	0.4
171.04272	0.3
171.11760	0.5
171.14880	0.7
173.05936	1.2
177.05470	0.4
183.02870	2.6
183.04471	1.4
187.03891	1.0
189.16374	0.6
191.03378	0.7
195.02931	0.6
199.14705	0.4
201.05446	5.3
205.04996	1.6
211.03854	0.5
213.05511	0.5
219.02882	0.9
219.06566	0.5
228.04210	0.7
229.04961	10.7
233.04422	0.6
239.03650	0.4
239.11853	0.6
243.55885	0.4
247.06004	1.4
257.04462	6.6
257.15146	0.6
258.05081	0.5
267.11316	0.7
274.04724	2.3
275.05460	0.5
285.04001	2.4
285.12256	1.2
285.22424	0.6
303.04990	100.0
303.23547	2.1
304.05350	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
65.03922	0.8
67.01862	0.5
67.05485	1.1
68.99482	0.3
68.99787	3.1
69.03423	0.5
69.94933	1.6
70.06582	0.5
71.03066	0.3
79.05484	0.6
81.03400	1.2
81.07030	0.8
81.51270	0.3
83.04983	0.3
85.06520	0.3
86.09672	0.3
91.05466	0.7
93.03387	0.8
93.07047	0.6
95.04975	1.6
95.08592	0.5
97.02866	0.4
97.36691	0.3
104.52988	0.3
105.06995	0.6
107.01362	0.3
107.04967	0.4
107.08554	0.5
108.97584	0.2
109.02899	1.5
109.06539	0.6
110.03685	0.3
111.00800	2.5
111.04420	0.5
114.05518	0.3
115.05424	0.3
116.07122	0.4
116.96955	0.3
117.06995	0.9
119.08611	0.4
121.02868	2.9
121.10092	0.4
122.06003	0.4
123.04414	1.0
127.03870	0.6
129.07024	0.3
130.90540	0.3
131.04904	0.7
131.08513	0.3
133.02794	0.3
133.08424	0.5
135.04390	0.5
135.11702	0.3
136.07594	0.6
137.02330	8.5
137.03355	0.5
145.06540	1.4
149.02315	1.2
149.06029	0.3
150.05595	0.3
152.07141	0.4
153.01822	12.5
155.04906	1.7
157.06532	0.4
159.04404	0.4
160.04991	0.3
160.09514	0.8
161.05966	1.0
162.05463	0.9
163.03935	1.7
163.05042	0.3
164.07004	0.4
165.01830	4.0
166.02597	0.5
167.03314	0.4
173.06018	1.9
179.03386	0.6
183.02879	1.6
183.04431	1.2
184.05092	0.3
187.03944	1.1
191.03375	0.5
195.02882	0.7
201.05486	5.1
205.04991	0.8
211.03851	0.5
215.03436	0.4
218.05598	0.3
219.06438	0.4
228.04135	0.6
229.04961	11.2
239.03365	0.4
243.11452	0.4
247.06061	1.1
257.04446	6.0
257.12891	0.3
258.04846	0.5
274.04755	1.9
275.05322	0.4
285.03952	2.6
285.12326	0.8
303.04977	100.0
304.05286	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03939	0.2
55.01856	0.4
65.03934	0.9
67.01856	0.7
67.05486	0.4
68.99435	0.2
68.99783	3.3
69.03437	0.3
70.06580	0.2
79.05493	0.2
81.03417	1.2
81.07037	0.3
86.09665	0.3
87.95178	0.2
91.05463	0.4
93.03394	0.8
95.04956	1.1
97.02877	0.3
98.09557	0.1
98.21511	0.3
103.05421	0.2
104.08895	0.2
105.03401	0.4
105.07017	0.2
107.04906	0.3
109.02880	1.3
110.03648	0.2
111.00793	2.3
115.05476	0.2
117.06992	0.4
119.04972	0.2
121.02010	0.2
121.02856	2.6
123.04426	0.9
127.03911	1.9
131.04916	0.6
133.02805	0.2
135.04382	0.5
137.02335	12.0
137.03363	0.7
141.97099	0.1
145.02829	0.3
145.06462	1.0
149.02333	0.9
149.05971	0.2
153.01814	12.2
154.02054	0.3
155.04924	1.6
155.06055	0.3
157.06483	0.2
159.04337	0.4
161.02269	0.2
161.05971	0.9
163.03914	1.8
165.01831	4.3
166.02628	0.7
171.02872	0.4
171.04338	0.2
173.05969	1.9
177.01889	0.3
177.05493	0.4
179.03401	0.5
182.47383	0.1
183.02859	1.8
183.04419	1.1
187.03911	1.5
191.03400	0.6
191.07056	0.3
195.02855	0.6
200.04659	0.2
201.05461	4.8
202.05838	0.2
205.04959	0.4
205.32643	0.1
207.02873	0.2
211.03882	0.6
213.05403	0.3
215.03407	0.5
217.04994	0.3
219.02882	0.4
219.06572	0.8
228.04134	0.7
229.04945	11.0
229.29124	0.2
230.05270	0.4
232.03795	0.2
233.04451	0.2
239.03392	0.5
243.02812	0.2
245.04483	0.3
246.05147	0.3
247.06023	1.4
257.04425	6.0
258.04990	0.3
274.04691	1.5
275.05383	0.4
285.03879	2.6
286.04395	0.2
302.03714	0.2
303.04956	100.0
304.05304	4.6
307.18417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05485	0.3
55.13371	0.3
62.97348	0.3
65.03931	1.0
67.01852	0.7
67.05493	1.0
67.24843	0.4
68.99792	3.5
69.07043	0.3
70.11702	0.3
71.57742	0.4
79.05463	0.5
81.03395	0.9
81.07041	0.7
88.66728	0.3
89.71041	0.4
91.05447	0.6
93.03365	0.6
93.07013	0.6
95.04954	1.1
95.08631	0.5
103.05449	0.7
104.10733	0.3
105.07018	0.8
107.04980	0.4
107.08595	0.5
109.02856	1.5
111.00780	2.3
111.27143	0.3
115.05457	0.4
115.08798	0.3
117.06974	0.7
119.08538	0.8
121.02843	2.8
122.22936	0.3
123.04392	0.9
127.03875	0.6
131.04947	0.5
133.10150	0.5
135.04402	0.7
137.02344	9.8
137.03381	0.8
145.06444	1.3
145.09998	0.4
149.02324	1.0
149.05931	0.3
149.09625	0.4
153.01819	12.3
155.04900	1.6
155.06052	0.4
159.39185	0.4
161.05959	1.1
163.03905	1.3
165.01852	4.0
166.02544	0.6
173.05959	2.2
175.73849	0.3
179.03363	0.7
183.02881	1.1
183.04471	1.2
187.03905	1.2
195.02957	0.6
201.05469	4.4
204.52614	0.4
205.05008	0.5
213.05362	0.5
215.03259	0.4
219.02925	0.6
219.06584	0.6
228.04170	0.7
229.04951	11.8
239.03429	0.5
247.06032	1.3
257.04446	6.4
266.12244	0.4
274.04800	1.6
285.03867	2.6
286.04608	0.5
303.04980	100.0
304.05310	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	1.3
55.01856	0.7
55.05499	0.8
55.43892	0.7
56.96547	1.0
57.03434	1.9
61.02916	2.9
69.03424	5.3
70.06583	1.1
71.04988	1.2
71.56748	1.2
73.02911	2.7
73.06571	0.8
78.95137	0.7
81.03453	1.6
81.04537	41.4
85.02901	6.7
87.04453	1.2
91.03901	0.7
97.02888	1.9
98.97600	2.7
99.04433	1.1
102.06474	0.8
109.02842	1.3
116.98650	1.7
119.01857	1.0
122.07152	29.0
124.08670	1.0
127.03921	2.5
128.02333	1.3
134.06027	0.8
134.99648	1.3
140.08182	100.0
141.08524	1.3
152.07022	1.0
177.00653	0.7
227.48219	0.9
278.54480	0.8
302.06302	2.0
302.13455	64.3
303.05115	1.0
303.13593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.3
58.84876	1.1
69.65482	2.7
69.65894	4.8
73.91406	0.9
77.67497	1.0
88.27885	1.0
98.20710	1.0
98.97573	2.9
102.44744	1.1
116.98649	3.6
119.01929	8.9
120.02030	1.5
133.37679	1.0
134.99648	4.0
137.02977	3.6
147.40820	1.3
177.00952	20.1
178.01134	5.6
179.00731	5.1
202.63809	1.1
217.04117	2.2
219.02000	34.9
220.02077	9.3
221.01804	11.2
222.01794	2.7
225.00975	2.9
243.01813	6.6
244.02132	2.1
258.99753	1.1
261.03040	100.0
262.03186	38.2
263.02960	8.8
277.00925	2.3
278.01263	1.4
278.97516	1.2
279.00696	3.1
279.76978	1.1
283.00043	2.1
284.04648	5.1
284.99667	2.4
285.04675	1.8
301.01025	5.0
303.01093	5.7
303.05515	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03938	0.2
53.59247	0.2
55.01861	0.4
56.96541	0.2
59.14269	0.2
65.03938	0.7
67.01860	0.4
67.05507	1.0
67.43974	0.2
68.99787	2.6
69.03426	0.3
69.79744	1.1
71.01356	0.3
79.05486	0.5
79.77612	0.2
81.03416	0.9
81.07048	0.5
86.09732	0.2
91.05469	0.5
93.03416	0.7
93.07062	0.3
95.04978	1.4
95.08613	1.5
97.06612	0.2
103.05464	0.2
105.03404	0.2
105.07036	0.2
107.04940	0.3
107.08611	0.4
109.02883	1.5
109.06501	0.2
110.03682	0.3
111.00812	2.1
111.04440	0.2
115.05439	0.4
115.39980	0.2
117.07004	0.7
118.33157	0.2
119.04956	0.3
119.08588	0.3
121.02876	2.5
121.10117	0.2
123.04436	0.9
123.08078	0.5
125.34739	0.2
127.03925	0.6
131.04938	0.5
131.08592	0.2
133.06534	0.2
135.04420	0.5
135.08047	0.4
137.02347	8.4
137.03381	0.5
143.04907	0.3
145.02867	0.2
145.06508	1.2
149.02367	1.0
149.03352	0.2
151.07518	0.3
153.01837	11.7
154.02251	0.3
155.04929	1.4
159.04428	0.5
161.06001	0.8
163.03914	1.6
163.07579	0.3
165.01836	4.5
166.02596	0.7
167.03471	0.2
171.02890	0.2
173.06012	2.1
177.05528	0.4
179.03432	0.4
183.02898	1.7
183.04445	1.4
184.07370	0.7
185.06033	0.2
187.03931	1.1
191.03410	0.6
191.07097	0.3
195.02931	0.5
201.05464	5.1
205.04919	0.6
211.03876	0.3
213.05418	0.2
219.02972	0.3
219.06546	0.7
228.04161	1.0
229.04967	10.6
230.05296	0.5
232.03632	0.2
233.04526	0.2
239.03453	0.5
247.06055	1.5
257.04446	5.5
258.05215	0.2
271.14532	0.2
274.04703	1.8
275.05426	0.5
285.04041	2.6
285.11322	0.3
303.04999	100.0
304.05322	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.4
55.05500	16.3
56.96560	10.2
59.43525	5.6
64.62103	6.6
67.05492	21.9
68.99767	6.1
69.03398	17.9
69.07061	13.2
70.06591	66.4
70.12237	24.7
72.04498	7.0
72.08147	77.9
72.31946	5.8
79.05473	14.7
81.03416	15.8
81.07061	27.0
82.06572	10.4
83.04961	9.4
83.08617	6.4
84.04492	6.5
84.08151	10.2
85.02888	34.0
86.06055	21.2
86.09693	34.3
91.05478	15.3
92.05802	6.9
93.07047	14.1
95.04955	10.0
95.08608	15.6
97.02896	15.1
97.06527	6.8
98.97585	14.3
107.08598	11.6
108.08115	8.6
109.02844	8.4
112.07597	27.7
115.31637	6.0
116.98560	7.4
122.06052	6.5
123.04424	11.7
124.07644	8.9
127.03873	7.2
128.07048	12.6
128.10722	7.3
129.10172	6.1
130.08623	14.7
134.99620	7.9
136.07617	10.8
137.02328	9.6
137.05856	7.2
140.07025	32.6
143.11745	36.0
150.06387	7.9
152.07092	7.1
153.01805	11.4
157.13322	8.7
158.99695	7.5
162.05489	8.9
171.11313	13.0
174.05544	6.9
174.47157	6.9
177.05499	7.0
178.05789	10.0
178.08710	10.4
182.08116	27.4
197.05943	7.5
206.08000	9.8
215.07018	21.5
222.22032	8.3
229.04990	16.2
237.02794	23.2
243.06572	41.9
257.04276	8.4
266.21097	28.6
284.22180	19.9
285.03830	10.5
302.07254	9.2
302.11032	13.0
302.23206	100.0
303.04950	99.5
303.13342	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24033	2.3
55.05510	5.9
56.96553	4.5
57.03426	6.9
63.06434	2.8
65.03932	4.2
67.05504	70.7
69.03431	17.3
69.07053	2.7
69.82251	13.0
69.82661	6.3
70.06592	7.3
71.01328	2.7
72.08150	26.3
75.36427	2.4
79.05519	2.6
80.05894	2.8
81.03397	9.3
81.07072	3.3
84.08142	8.4
85.02905	59.5
86.09700	28.7
95.04964	53.4
97.02890	60.2
99.04460	3.3
103.03944	7.7
107.04922	2.6
109.02867	10.0
112.07600	17.4
113.06044	4.2
116.98600	3.5
121.02834	3.4
122.06030	6.9
124.07596	2.9
127.03928	15.4
134.99690	4.5
136.07643	2.9
140.07065	100.0
141.07426	3.7
145.04993	3.4
154.08652	25.7
176.05458	3.1
178.08699	6.0
182.08130	99.5
185.16518	11.7
185.24034	2.9
194.20255	2.5
206.08101	18.1
208.13474	3.4
218.08029	4.7
236.09154	3.4
248.09251	15.8
265.54196	2.7
285.07590	3.7
302.12680	10.9
303.01718	3.1
303.05029	12.1
303.14038	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01878	2.0
60.04471	0.9
65.03944	1.2
67.05496	14.7
68.99795	2.9
69.03427	6.4
69.07053	3.6
70.06586	3.4
71.57022	1.6
72.08138	1.7
79.05490	2.1
81.03410	3.1
81.07043	1.1
84.04478	1.2
84.08136	3.1
85.02905	16.7
86.09695	6.9
89.03939	1.4
90.94836	1.1
91.05469	2.2
93.07028	1.8
94.06561	2.2
95.04961	20.9
95.90944	1.0
97.02879	14.7
97.06522	1.0
103.04005	1.3
109.02883	3.1
109.98808	0.9
110.06054	2.3
111.00800	1.4
112.07614	12.0
113.05998	1.9
117.03379	2.3
119.53003	0.9
121.02878	3.2
122.06029	3.7
123.04434	1.3
124.07616	3.6
127.03926	3.9
134.06010	14.4
136.07571	12.2
137.02333	6.8
140.07057	32.0
145.02870	4.3
149.02284	1.6
149.06029	1.5
152.07079	6.2
153.01813	10.1
154.08626	3.2
155.04890	1.3
161.72180	1.1
163.03899	1.6
164.07051	12.3
165.01842	4.2
166.08600	1.1
173.05984	1.9
177.05447	7.6
178.08569	1.4
182.08122	21.1
183.02931	1.8
183.04399	2.3
183.08148	1.1
200.10699	1.8
201.05479	5.1
206.08107	3.8
214.12157	2.0
229.04970	8.7
234.98828	1.0
241.08981	1.0
248.09155	2.4
257.04434	6.2
260.12805	3.4
274.04636	2.6
284.21927	1.1
285.04016	3.5
285.12173	2.4
301.03476	1.2
302.04120	5.4
302.11343	4.8
303.04971	100.0
303.13406	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.8
55.05478	7.9
57.03434	9.0
67.05512	21.7
69.03430	11.0
69.07069	10.9
70.06583	26.4
70.96458	23.1
72.08150	79.3
79.05502	22.9
80.76012	8.2
81.03429	11.7
81.07057	23.3
82.99075	7.4
85.02907	59.2
86.06058	11.0
86.09697	27.8
91.05495	16.5
94.06581	12.6
97.02891	40.9
98.97617	9.6
108.08144	14.4
109.02846	12.8
112.07617	18.4
116.98651	14.2
121.02896	15.4
122.06039	8.4
125.05974	9.9
127.03909	16.1
132.10213	9.2
136.07574	13.6
137.02237	9.8
140.07063	37.8
143.08568	8.6
143.11745	43.9
145.04895	13.6
147.04445	17.7
149.02292	11.9
149.77655	7.7
152.07085	14.6
153.01912	17.5
154.08751	7.8
164.07043	23.9
164.77644	7.6
165.06880	11.6
171.11279	20.3
175.03807	8.3
178.08672	14.7
182.08148	69.3
197.05989	13.6
206.08133	25.7
215.07074	13.0
229.05029	24.3
237.02824	13.3
239.07016	12.6
243.06499	20.6
245.30441	7.7
255.06421	10.6
256.06879	22.0
257.04492	18.2
264.54742	8.5
266.21271	26.8
271.05981	8.5
274.04486	9.5
284.06689	19.1
284.09573	13.0
285.04053	9.2
285.07513	20.2
302.04190	13.5
302.07471	17.3
302.23218	46.6
303.05023	100.0
303.08304	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1434
Annotation	4'-Hydroxy-5,7-dimethoxy-8-methylflavan
Peak:m/z	Relative Intensity
55.01852	2.1
55.05508	2.4
67.05523	3.2
69.07050	1.4
71.58223	2.3
79.05500	9.2
81.07076	3.2
91.05472	5.1
93.07036	3.0
93.37955	1.1
95.05003	2.6
95.08603	2.6
103.05466	7.9
105.07039	38.2
107.04962	5.3
107.08561	2.2
108.79587	1.1
109.06541	1.4
117.06973	1.8
118.45815	1.2
119.04923	2.3
119.08582	2.4
121.06474	2.1
131.04886	4.3
133.06494	66.0
134.06837	1.6
135.04362	1.4
135.08069	1.5
135.11760	1.6
145.10149	1.5
147.04411	2.3
148.05150	1.5
149.05971	2.5
163.03917	3.2
163.07547	100.0
164.07892	2.6
165.05475	4.3
177.37605	1.4
181.08598	63.4
189.05551	1.6
189.09079	1.3
203.03319	1.3
217.04930	3.9
228.33580	1.3
235.69095	1.3
245.04498	5.2
255.11275	3.1
259.95633	1.3
265.12253	1.6
273.03943	4.3
283.09726	4.8
283.13263	23.2
301.03516	11.2
301.06552	2.6
301.10715	4.3
301.14090	1.9
301.21655	1.8
302.03967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1434
Annotation	Callosumin
Peak:m/z	Relative Intensity
51.18142	0.7
53.03939	1.7
53.24443	0.7
53.30986	0.6
53.99702	0.6
54.44717	0.6
55.01860	1.8
55.05502	2.3
56.25498	0.7
56.96554	2.6
57.03416	0.8
61.58848	0.7
65.03934	1.2
67.05498	7.8
68.94714	0.9
68.99783	2.5
69.03423	1.7
69.07076	1.9
70.26075	0.7
71.57886	1.6
73.80746	0.7
78.54106	0.7
79.05487	8.1
81.03383	1.1
81.07057	7.1
83.04957	1.0
85.02892	1.5
91.05476	8.7
93.07049	4.5
93.94621	0.8
95.04961	8.2
95.08575	3.0
97.02845	1.4
97.06521	1.1
98.97581	1.2
103.05463	6.1
105.04549	0.8
105.07028	19.6
107.04926	5.1
107.08557	3.0
109.06506	3.1
109.10126	1.7
110.76287	0.9
111.04417	2.8
115.05451	2.1
116.98586	1.2
117.07003	2.3
119.08595	3.2
120.05764	1.0
121.06503	3.5
121.10098	1.7
122.07311	0.7
123.04425	100.0
123.08054	1.9
123.11710	1.1
124.04770	2.0
125.05963	4.8
128.06229	1.9
129.06969	1.4
131.00174	1.0
131.04913	2.0
131.08582	4.5
133.06494	9.0
133.10129	3.0
134.99695	1.4
135.04398	1.3
135.08060	4.9
137.05981	7.1
137.09564	1.4
143.08504	0.9
145.06525	1.1
145.10104	2.5
147.04456	2.1
147.08026	2.5
147.11699	1.1
148.05205	1.1
149.02280	0.9
149.05971	17.5
149.09654	1.4
150.06664	1.3
151.07538	30.8
153.06985	1.1
157.10114	0.9
159.08038	2.4
159.11739	1.5
161.05930	1.4
161.09538	1.3
163.07541	91.8
163.11168	2.4
164.07825	1.7
165.05441	4.4
165.08011	1.0
165.09143	13.1
171.11705	1.5
175.07584	1.5
175.11198	0.9
176.08284	1.6
177.00725	1.0
177.09048	4.0
181.06424	1.1
184.76736	0.8
185.13208	0.8
189.09140	2.5
191.10672	25.5
198.06833	1.1
199.12199	1.2
201.16147	0.9
203.06984	0.9
217.04990	1.0
227.11842	1.8
237.75893	0.9
255.11293	9.9
301.03445	5.6
301.10895	4.9
301.14319	51.4
301.21585	2.7
301.24667	1.1
302.14700	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01904	0.7
53.94959	0.7
67.05499	1.2
69.03410	1.0
70.06595	1.4
70.46904	1.7
76.65434	0.8
76.78133	0.8
79.05499	0.8
81.07038	0.9
84.08154	1.1
85.02902	1.0
86.09659	1.2
95.04944	1.6
95.49946	0.8
97.28315	0.8
137.74149	0.9
139.08647	1.3
173.03094	0.8
182.08199	1.2
221.05133	4.6
301.12561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1434
Annotation	4'-Hydroxy-5,7-dimethoxy-8-methylflavan
Peak:m/z	Relative Intensity
52.85753	1.2
53.03946	2.0
55.01859	1.6
55.05506	6.9
55.89715	1.4
56.96562	5.9
57.03436	2.0
58.39953	1.2
67.05504	8.7
69.03422	3.9
69.07067	6.0
69.50382	4.8
69.50808	6.5
79.05495	11.2
81.03407	2.5
81.07069	11.6
82.07388	1.3
83.04991	2.9
83.08616	3.3
84.82166	1.2
84.96043	1.6
85.02899	1.9
85.06509	2.1
91.05469	10.0
92.05729	1.3
93.07066	7.3
95.04971	4.8
95.08611	10.8
97.02886	2.8
97.06560	4.0
98.97619	2.2
103.05450	7.3
105.07029	24.6
107.04972	4.8
107.08609	6.4
109.10162	5.5
111.04482	1.4
115.05464	3.5
116.98616	2.7
117.07050	3.2
119.04938	1.5
119.08588	6.2
121.06506	3.3
121.10143	2.9
123.04449	3.0
123.08004	1.5
123.11720	1.4
128.06235	1.4
129.07013	3.1
131.04919	3.8
131.08600	5.9
133.06474	18.2
133.10126	5.8
134.99689	2.8
135.04475	1.5
135.08049	3.0
135.11713	3.2
137.05986	3.4
137.09636	1.7
141.06909	1.2
142.07755	2.2
143.08600	3.5
145.06520	2.2
145.10127	6.4
147.04385	3.2
147.11711	2.7
149.06024	3.3
149.13257	1.9
157.10144	3.9
158.99681	1.7
159.08055	2.8
159.11671	3.9
161.01256	3.0
161.09659	1.4
163.03902	3.9
163.07538	100.0
164.07913	3.2
165.05519	1.9
165.06860	1.7
167.08496	1.5
169.06554	1.4
169.10202	1.3
171.11685	2.9
173.09677	1.6
173.13312	2.2
177.00629	1.5
177.05489	1.5
177.09099	1.4
181.08594	61.6
181.10194	3.0
185.13246	1.6
187.14836	1.7
189.09116	5.8
194.11018	1.5
199.14861	3.5
203.14278	1.4
212.05093	1.7
213.16396	1.5
219.01837	4.5
227.17963	1.9
237.02899	1.9
241.08589	2.7
243.05281	2.8
245.04539	1.9
255.05489	2.0
255.11467	9.3
255.13780	2.6
259.10638	1.6
265.19730	1.7
265.27249	3.0
269.08176	1.7
273.06607	1.6
283.10425	2.2
283.13263	21.3
283.28424	1.5
301.03461	6.6
301.10666	6.6
301.14230	4.1
301.18082	2.4
301.21661	11.1
301.25006	2.4
301.29089	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.8
62.18094	0.5
70.06579	1.5
70.97480	1.4
72.08150	0.6
81.07059	1.2
84.08179	0.6
86.14912	0.5
91.75977	0.5
105.66790	0.5
111.38950	0.5
128.14621	0.5
135.95805	0.5
139.08588	1.0
173.02966	1.0
203.03879	0.5
221.05008	5.4
227.13802	0.6
245.04366	0.7
245.64651	0.5
263.04016	0.5
301.03326	1.7
301.12552	100.0
302.12881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1182
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.01870	1.2
55.05491	2.1
56.96547	2.6
60.71684	0.7
65.03929	2.1
65.22992	0.7
67.05495	3.2
67.29020	0.9
69.03415	1.0
69.07056	1.4
69.53635	0.7
71.04979	0.7
72.47116	0.8
79.05495	1.9
81.07035	3.1
83.04941	1.2
84.13226	0.7
85.31003	0.8
86.47561	0.9
91.05471	2.2
92.04986	2.8
93.07015	2.4
95.04944	1.8
95.08596	2.0
97.06503	1.0
97.10078	0.6
98.97538	1.2
105.07047	2.1
107.04951	2.1
107.08580	1.6
109.10122	1.5
110.06007	1.0
111.04454	0.8
111.62855	0.8
114.64643	0.7
115.05456	1.1
116.98573	0.9
119.08569	2.2
120.04462	1.8
121.10129	0.9
122.06018	1.3
123.04404	1.2
123.08076	0.9
131.08582	1.9
133.10094	1.4
134.99625	1.3
136.07579	2.5
141.06992	1.2
143.08635	0.8
145.06465	1.2
145.10126	1.2
148.03909	0.8
149.01158	0.9
149.05974	1.8
153.06918	1.2
154.07689	0.9
157.10156	1.1
158.98018	0.8
159.11728	0.8
162.05499	1.6
163.07413	1.0
165.05536	0.7
165.07001	2.1
167.07242	2.0
168.08035	1.8
169.06464	0.8
169.08853	1.3
170.08336	1.5
170.09644	1.1
177.00700	1.3
177.57999	0.7
181.06374	0.9
182.09615	2.6
183.09146	2.1
184.07587	0.8
184.09938	3.5
184.11357	1.0
187.08716	1.9
187.11203	1.0
195.06580	0.9
196.07663	0.9
197.07085	2.6
197.10339	0.6
198.07838	2.3
199.08684	1.4
199.12387	6.3
209.10680	1.0
210.09160	5.7
211.08665	6.3
212.09244	9.3
213.10242	2.1
217.04921	1.0
225.06586	1.9
225.10034	1.5
226.07234	1.3
226.10994	1.2
227.11787	26.7
237.10243	1.4
238.08623	1.8
239.08174	2.9
240.08932	10.3
241.09758	6.5
242.10414	1.5
253.09813	0.9
255.11284	100.0
256.11600	1.7
257.12860	1.8
259.10806	0.8
273.03873	1.0
283.10782	11.4
283.20685	1.1
301.03574	4.2
301.06558	1.1
301.11752	14.5
301.21613	2.5
319.85803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1182
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03947	0.6
55.01879	0.9
55.05497	1.3
59.04938	0.5
60.45852	0.4
65.03924	1.7
67.05502	2.8
68.99792	0.5
69.03407	1.8
69.07058	0.7
69.25249	4.3
70.06572	0.5
71.04999	0.8
73.13084	0.4
79.05482	2.0
81.07048	2.2
81.45243	0.4
83.08634	0.5
85.06501	0.4
91.05472	3.5
92.05015	2.1
93.07040	2.0
93.53804	0.4
94.06545	0.6
95.04967	2.6
95.08589	2.0
97.10131	0.6
98.20705	1.0
103.05451	0.8
105.03400	0.6
105.07040	2.6
107.04953	1.0
107.08604	1.4
109.10158	1.2
110.06024	0.7
115.05424	1.1
117.07018	1.8
119.04910	1.6
119.08570	1.4
120.04461	2.8
121.06493	1.2
121.10149	1.0
122.06001	1.3
123.04432	6.6
123.08026	0.6
128.06233	0.7
129.07010	1.0
131.08536	1.4
132.08080	0.6
133.06502	0.9
133.10141	1.2
134.06001	0.6
135.04378	0.6
136.07570	2.5
137.06009	1.0
141.06956	1.0
143.08569	1.3
144.08040	0.9
145.06477	1.2
145.10095	1.6
147.04428	10.8
147.11699	0.6
148.03880	0.8
148.07593	0.8
149.02504	0.4
149.06003	4.1
149.09621	0.8
152.06181	0.7
152.27774	0.5
153.06981	1.0
154.06552	0.7
154.07790	0.8
155.04895	1.1
155.08549	0.7
156.08078	0.8
157.08830	0.8
157.10100	1.1
159.09209	0.6
159.11682	1.3
161.05965	1.3
162.05501	1.3
163.03905	1.9
163.07561	2.5
163.11180	0.5
165.05618	0.7
165.07010	1.4
167.07291	3.1
167.08559	0.7
168.08095	1.7
169.07603	0.5
169.08830	1.0
169.10129	0.8
170.08388	1.0
170.09685	1.3
171.09174	0.9
171.11722	0.8
172.07655	1.1
172.11244	0.6
173.05977	7.3
173.07289	0.5
173.13306	0.6
174.06812	0.7
181.06413	0.8
181.08830	0.8
182.09663	3.3
183.09233	2.6
184.07558	0.9
184.09875	3.2
184.11258	1.8
185.10782	1.2
186.09175	1.0
187.07289	0.7
187.08871	2.3
187.14857	0.6
191.03455	0.7
191.07208	0.9
192.08131	0.6
194.07191	0.7
195.06549	0.5
196.07527	0.7
197.07098	2.8
197.08614	0.8
198.07779	2.5
198.09473	0.7
199.08672	1.0
199.12318	7.6
200.10883	0.9
209.10783	1.2
210.09142	7.3
211.08667	7.7
212.09283	11.3
213.10435	3.5
215.07082	0.8
217.05009	0.6
225.06577	2.9
225.10098	0.7
226.07530	2.2
226.10980	1.5
227.11803	29.0
237.10126	2.1
238.08595	2.4
239.08092	2.5
240.06470	0.7
240.08934	14.0
241.09747	11.5
253.09772	0.9
254.10487	1.1
255.11293	100.0
256.11584	2.0
257.12866	3.0
259.10736	2.8
265.08588	1.2
283.09888	23.6
283.20700	0.6
283.24606	1.4
301.03406	1.4
301.11655	15.4
301.21625	3.3
301.25635	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	(-)-Farrerol
Peak:m/z	Relative Intensity
53.03944	1.4
55.01868	1.7
55.05501	1.0
57.03426	1.6
64.23767	0.8
65.03929	1.7
67.05491	4.7
68.99780	2.7
69.03432	6.4
69.07059	1.9
69.36677	3.1
69.37093	5.9
71.04977	0.9
79.05476	3.2
81.03394	1.8
81.07019	3.8
83.04991	1.4
85.02892	1.4
91.05479	8.9
93.07031	5.3
95.01325	1.5
95.04958	5.3
95.08603	2.4
97.06477	1.3
103.05438	2.5
105.03392	1.8
105.07001	3.8
107.04929	4.0
107.08566	1.6
109.10093	1.3
111.04400	2.4
111.08075	1.2
113.56575	0.9
115.05434	3.4
117.06988	5.6
119.04921	5.0
119.08572	2.3
121.02808	1.6
121.06493	3.6
121.10135	2.2
123.04424	35.1
128.06229	1.5
129.06944	2.2
131.04909	2.5
131.08574	2.3
133.06435	1.9
133.10083	1.7
135.04413	2.3
135.11661	1.3
137.05905	1.6
139.07474	1.0
141.06981	1.5
145.06471	4.7
145.10097	2.2
147.04407	48.4
149.04785	1.4
149.05960	20.8
149.22865	0.8
152.06178	1.7
153.07002	1.4
155.04849	3.4
155.06004	1.1
155.08540	1.6
157.10118	2.0
159.07959	0.9
161.05992	5.7
163.03905	4.8
165.06984	2.9
166.07793	1.3
167.07092	0.9
167.08525	1.2
169.06471	1.4
171.07820	1.3
173.05981	38.1
173.09555	1.0
174.06651	4.0
175.03886	1.4
177.05551	1.3
181.04909	1.7
181.06435	1.9
185.09496	1.4
186.09052	1.1
187.07518	6.0
189.05444	1.7
190.07803	1.6
191.06961	2.4
191.08540	2.3
194.07327	2.1
195.08014	1.1
197.05957	2.6
198.06699	2.9
199.07498	2.0
204.57663	1.2
209.09575	1.1
212.08337	1.2
213.09058	3.6
214.08495	1.4
215.07001	3.0
217.04910	2.8
219.07971	1.4
222.06743	2.4
223.07437	1.3
225.05379	1.2
226.06187	2.5
227.10535	2.1
237.09059	3.9
239.07271	0.9
239.29720	0.9
240.07686	1.6
241.08440	2.2
245.04472	2.3
255.10043	12.2
259.10760	7.6
265.08508	4.1
268.07236	4.0
273.03793	3.0
283.09631	100.0
284.09848	3.0
301.03510	6.6
301.10669	37.4
301.21539	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	CHEBI:67394
Peak:m/z	Relative Intensity
53.00317	0.5
53.03939	0.8
55.01867	2.2
55.05499	1.1
57.03424	1.2
57.75421	0.4
65.03938	1.3
67.05504	4.8
67.47491	0.4
68.99783	3.0
69.03133	0.5
69.03430	6.2
70.04839	0.8
70.05238	1.2
71.04972	0.5
79.05494	3.2
81.03404	1.0
81.07050	1.8
83.04974	1.1
91.05479	8.3
93.07041	4.7
95.01331	1.2
95.04971	5.1
95.08619	1.6
97.02894	0.7
97.06510	0.8
103.05467	3.0
105.03387	1.3
105.07037	2.6
107.04970	4.7
107.08582	1.7
109.06510	0.6
109.10164	0.6
111.04422	2.3
115.05445	3.8
116.06272	0.5
117.07010	7.6
117.87103	0.4
119.04938	5.9
119.08566	1.5
121.02776	0.5
121.06535	3.6
121.10137	1.7
123.04425	25.7
123.08013	0.6
127.05450	0.9
128.06192	1.1
129.06996	1.0
131.04929	3.0
131.08531	1.3
133.06488	1.8
133.10069	0.6
135.04382	1.8
135.11688	1.7
137.02342	1.0
137.05942	1.9
137.42612	0.5
141.06952	1.4
143.08618	1.1
144.05693	1.0
145.06488	6.5
145.10110	1.7
146.07277	0.6
147.04404	57.8
148.05013	1.9
149.02446	0.5
149.05975	23.2
152.06183	0.8
153.07004	1.3
155.04909	3.2
155.08556	0.7
157.06470	1.5
157.10118	0.9
159.08054	1.1
160.05171	0.6
161.05984	6.5
163.03894	5.0
163.11180	1.9
165.07030	2.3
166.07794	1.6
167.07086	0.8
167.08575	1.4
169.06543	1.2
171.08069	0.8
171.11662	0.5
173.05981	39.3
174.06790	4.4
179.08623	0.7
181.06505	1.3
181.10179	0.8
181.12209	0.9
183.08119	0.8
185.05963	1.1
185.09674	1.3
187.07521	6.8
189.05470	1.6
189.07013	0.6
190.07787	1.9
191.07040	2.0
191.08589	2.1
191.10483	0.9
194.07260	2.9
195.07991	1.6
197.06024	2.2
198.06735	2.1
199.03796	0.6
199.07542	1.9
209.09634	2.1
209.11580	1.0
211.07465	1.1
212.08295	1.8
213.05521	1.2
213.09036	3.9
214.08727	0.5
215.06972	4.5
217.04980	2.1
218.07246	0.6
219.08263	1.0
221.06018	1.0
222.06755	1.7
223.07520	1.6
226.06219	1.3
227.07062	1.1
227.10681	1.6
237.09071	4.4
239.07042	0.8
240.07796	1.8
241.08549	1.6
245.04535	0.8
247.07530	0.7
248.08276	0.5
250.06306	0.6
255.06343	0.6
255.07338	0.7
255.10115	10.9
259.10751	1.2
265.08588	4.7
266.09296	0.7
268.07336	4.5
273.03860	2.0
273.12268	0.5
283.09637	100.0
284.09967	2.8
301.03635	3.1
301.10675	31.7
301.16443	1.3
301.21609	1.2
302.11258	0.8
302.77289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	2,5-Dihydroxy-7-methoxy-8-methylflavanone
Peak:m/z	Relative Intensity
51.02370	0.6
53.03949	1.0
55.01869	2.4
55.05510	2.1
57.03430	1.5
65.03925	1.3
65.25539	0.4
67.05505	4.7
68.99791	2.8
69.03430	6.2
69.07040	0.9
70.06589	0.6
71.47215	0.6
71.47542	0.6
79.05499	3.7
81.03410	1.2
81.07058	3.8
83.04981	1.3
83.08617	0.7
85.02882	0.4
91.05479	7.6
93.07043	4.7
95.01328	1.5
95.04961	4.6
95.08607	2.3
97.02882	0.8
97.06499	0.8
103.05477	2.4
104.69599	0.4
105.03403	1.1
105.07019	3.5
107.04964	4.8
107.08588	2.2
109.06490	0.6
109.10146	0.7
111.04435	2.2
111.08048	0.9
115.05444	4.3
117.07018	7.7
119.04952	4.5
119.08573	1.4
121.06505	4.3
121.10154	2.7
123.04429	25.8
127.05415	0.7
128.06203	1.4
129.06978	1.3
131.04942	2.5
131.08551	2.3
133.06485	1.7
133.10117	1.0
135.04443	2.2
135.11676	2.0
137.02339	0.7
137.05957	2.0
141.06981	1.4
142.07773	0.8
143.08543	1.0
145.06477	6.0
145.10124	2.6
146.07304	0.9
147.04408	55.3
147.11656	0.7
148.05031	1.5
149.05984	18.9
149.09665	0.6
152.06187	0.6
153.07002	1.2
153.12752	0.8
155.04900	3.4
155.05992	0.7
156.30838	0.4
157.06441	1.1
157.10126	1.3
159.08051	1.5
159.11658	0.6
160.05130	0.6
161.05981	4.1
161.09616	0.4
163.03899	5.8
163.11189	2.5
165.07025	2.0
166.05028	0.7
166.07808	1.3
167.07111	1.0
167.08539	1.0
169.06485	0.7
169.10110	0.5
171.08119	0.6
173.05984	36.5
173.09576	1.0
173.13344	0.5
174.06761	4.7
177.06895	0.6
181.04977	1.0
181.06474	1.5
181.10103	1.2
181.12178	0.8
184.08844	0.4
185.05972	1.0
185.09583	0.9
185.13277	0.5
186.09106	0.5
187.07506	5.8
189.05449	1.7
190.07719	0.8
191.07008	2.5
191.08542	1.3
191.10620	1.1
194.07233	2.4
195.08070	1.3
197.05922	1.8
198.06754	1.4
199.03743	0.5
199.07491	2.1
199.11176	0.5
209.05927	0.6
209.09628	2.2
209.11575	0.9
211.07475	0.6
212.08211	1.0
213.05440	1.3
213.09056	5.0
215.06990	4.2
217.04991	1.5
219.07996	1.3
221.06027	1.0
222.06741	1.2
223.07536	1.6
226.06213	1.4
227.06984	1.0
227.10716	1.5
237.09122	3.8
239.07043	1.0
240.07828	1.7
241.08548	2.1
245.04457	1.3
247.07498	0.9
250.06311	1.6
255.06494	0.7
255.10098	10.6
259.10797	1.7
265.08630	4.1
266.09430	0.8
268.07327	4.1
273.03906	1.6
273.12308	0.8
283.09647	100.0
284.09955	3.0
301.03540	3.9
301.10678	28.6
301.16418	1.3
301.21561	2.1
302.11212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1068
Annotation	(2R)-5,4'-Dihydroxy-7-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
52.90131	1.7
53.03946	2.4
55.01863	2.7
55.05504	5.5
55.27745	1.7
56.96555	5.7
57.03420	1.6
57.07071	1.7
57.38392	1.4
67.05497	5.5
68.99783	2.8
69.03420	3.4
69.07061	5.7
69.78608	7.3
69.79021	3.2
71.04990	1.7
76.34798	1.7
79.05499	8.1
81.07054	11.9
83.04957	2.2
85.75964	1.5
91.05473	6.5
91.38830	1.4
93.07041	6.5
95.04958	5.6
95.08603	8.6
97.06522	3.8
98.97583	3.7
105.07040	9.2
107.04951	4.5
107.08592	7.7
109.06514	2.2
109.10143	3.3
116.98639	2.7
117.07033	2.7
119.08561	6.6
121.06434	1.8
121.10114	5.2
122.06037	1.5
123.04421	9.1
123.11746	1.7
128.06248	1.6
131.08598	2.8
133.06509	2.9
133.10132	6.8
135.04416	2.3
135.07993	1.6
135.11693	1.7
137.06000	2.0
143.08504	2.7
145.06422	2.0
145.10100	4.4
147.04431	2.1
147.11687	3.7
149.06007	4.3
153.05519	2.1
157.06512	2.2
157.10078	3.7
159.08072	2.6
159.11681	3.8
161.13252	2.1
163.03874	14.9
163.07538	4.4
165.05473	100.0
167.48344	1.6
169.10175	2.3
171.11655	1.9
173.13313	2.3
175.07570	2.0
177.05659	1.9
181.04994	15.3
181.06461	2.4
185.13281	3.0
187.10960	1.6
189.05359	1.6
191.02248	2.9
197.05899	3.4
199.14745	2.0
204.07860	1.8
205.08609	2.4
212.09467	3.7
213.09096	1.7
213.16406	1.7
217.05017	2.6
227.11778	4.9
240.09067	2.7
241.08946	1.9
245.04437	2.6
250.14514	1.8
255.11279	26.6
259.10776	2.1
269.08075	1.7
273.03818	3.3
283.10712	3.3
283.17279	1.5
283.20334	2.5
285.03940	1.7
286.04684	3.0
301.03793	13.9
301.07080	6.8
301.10809	9.2
301.14227	5.4
301.18060	2.7
301.21616	14.2
301.24832	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	7.1
59.04985	4.5
60.64850	3.9
63.87943	3.6
67.05515	4.3
69.03410	4.9
70.06590	39.9
71.57013	6.8
72.08144	4.4
81.03401	4.3
84.08142	8.0
85.02901	9.1
86.09705	8.1
89.06030	4.2
91.00021	4.3
91.93171	3.8
94.06553	5.9
95.04983	4.2
107.04924	6.2
116.98584	5.7
120.08077	10.5
121.06424	4.5
121.08640	8.9
134.06024	4.2
136.06209	15.3
137.05959	5.6
138.05510	100.0
138.09135	11.5
140.07077	8.9
157.09755	10.6
163.03923	6.3
185.09167	5.4
213.12521	5.7
255.06337	4.9
300.10812	9.5
300.14307	6.4
301.12521	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2002
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03944	1.7
54.71140	1.0
55.01865	1.5
55.05495	4.1
67.05499	9.1
69.03413	3.1
69.07055	8.5
70.14154	5.3
71.04986	1.4
77.97148	1.2
79.05491	7.7
81.03403	1.7
81.07055	5.9
81.41488	1.1
83.04961	2.8
83.08606	3.2
85.06519	1.6
91.05474	32.0
93.07048	8.9
95.04961	3.2
95.08604	8.8
97.10171	1.2
101.31150	1.1
103.05468	3.1
105.07023	23.6
107.04947	1.9
107.08587	9.2
109.06504	3.3
109.10139	5.0
115.05453	3.4
116.06210	9.5
117.06992	3.3
119.04939	12.1
119.08570	19.2
121.06467	1.3
121.10137	8.2
123.04408	1.3
123.08054	3.6
125.09623	3.2
128.06230	2.9
129.06992	10.0
131.04907	2.2
131.08556	44.7
133.06508	2.6
133.10118	4.1
133.13895	1.1
135.04384	1.7
135.07993	2.8
137.02263	1.2
137.09622	1.4
141.07025	1.7
142.07780	1.8
143.08556	3.6
145.06454	2.0
145.10103	6.4
145.95535	1.1
147.08043	2.2
149.05972	4.1
149.09651	5.5
155.08536	3.3
156.09364	2.6
157.10162	5.2
159.08046	100.0
159.11682	2.8
161.05945	1.1
161.09570	2.5
161.13290	2.2
163.03896	3.6
163.07524	27.6
165.06873	1.7
169.10117	3.2
171.11694	6.3
173.09593	1.9
173.13252	1.6
174.10530	1.4
175.11220	2.0
176.11942	1.1
179.08540	1.5
181.10094	2.1
182.10889	2.2
183.11658	3.4
183.87566	1.1
185.09592	1.6
185.13211	1.2
187.03947	2.0
187.11165	1.8
189.12775	3.7
193.10170	1.8
195.11674	2.3
197.13245	2.7
199.11220	7.1
201.12729	2.9
206.10904	1.6
207.11743	2.8
211.11119	1.5
213.12605	1.3
221.13246	2.2
223.14801	2.5
225.12746	5.1
239.14290	1.5
240.14819	1.2
243.13847	2.8
253.15991	1.4
255.17317	1.6
257.18961	3.1
263.17932	4.9
281.11771	1.9
281.19000	21.8
299.05539	1.7
299.09183	3.2
299.12814	6.6
299.20038	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.01884	7.3
55.05505	24.4
55.43642	3.0
57.03422	7.6
57.07069	4.4
65.29984	2.9
67.05501	49.9
69.03398	3.8
69.07068	22.0
70.06606	4.1
71.04995	8.9
71.12527	7.1
71.12903	6.4
72.04513	8.1
74.41201	3.9
79.05487	57.4
80.05840	3.4
81.03414	11.7
81.07047	44.0
82.07378	3.6
83.04987	13.3
83.08620	12.5
85.02955	4.2
85.06552	7.6
91.05477	50.8
93.07034	57.8
94.07355	3.6
95.04971	21.0
95.08601	27.3
96.08099	4.6
96.08958	5.1
97.02863	4.0
97.06520	6.3
97.10172	4.9
103.05466	6.4
105.07031	52.1
107.04944	6.4
107.08566	16.3
107.11847	3.0
109.06538	9.3
109.10184	15.3
111.08063	4.6
112.07568	4.0
113.07941	3.6
115.05459	5.4
117.07030	7.3
119.04930	5.3
119.08571	20.1
121.02911	5.0
121.10106	9.9
123.04453	9.0
123.08084	5.7
128.06282	6.7
129.06996	13.5
131.08574	9.2
133.06468	7.9
133.10127	14.0
135.08046	4.3
135.11681	3.4
137.02347	3.7
141.07040	4.3
142.07753	3.6
143.08522	11.2
144.85339	3.4
145.10120	13.3
147.11700	24.2
149.05994	12.1
154.35094	3.2
157.10100	10.3
159.11629	3.7
161.09528	5.1
161.13322	9.2
163.03893	7.1
163.07538	100.0
164.07869	3.6
167.08527	4.5
169.10156	4.7
171.11633	16.4
173.13263	3.8
175.07462	4.6
179.06960	5.3
183.11702	4.8
187.03970	5.0
187.14899	5.5
189.09042	3.8
189.12740	7.3
197.05920	4.5
207.13841	9.3
239.07054	6.3
243.06572	3.7
247.08426	5.9
263.25549	11.7
281.08170	5.3
281.11749	3.9
281.17468	22.6
281.26694	69.4
299.05994	18.0
299.09146	13.5
299.12341	27.8
299.20129	19.2
299.27676	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	16.3
53.03949	4.1
55.01862	9.9
55.05508	55.4
57.03435	33.3
57.07071	4.5
57.38079	3.8
59.04995	6.9
61.24665	3.3
63.12395	3.4
64.23880	3.5
67.05503	34.3
69.03416	4.9
69.07042	7.9
69.87148	15.0
69.87563	5.7
71.01336	7.4
72.19471	3.1
79.05484	24.0
81.03407	10.8
81.07043	41.6
83.04950	7.2
83.08610	28.1
85.06531	5.7
91.05479	48.9
93.07040	33.6
93.89427	3.2
95.04957	12.0
95.08611	16.7
97.02884	8.6
97.06558	5.4
99.00809	65.0
103.05441	5.1
105.07027	46.7
107.04936	14.3
107.08601	22.5
109.02896	16.6
109.06521	8.0
109.10152	12.9
111.04478	3.8
111.08060	10.6
113.42266	3.5
115.03951	6.2
117.07011	8.5
119.08582	24.5
121.06488	20.7
123.04425	4.0
123.11703	7.9
127.03913	11.3
131.08543	6.7
133.06445	4.9
133.10130	100.0
137.05920	7.4
139.07545	10.7
143.08553	14.0
145.10086	3.8
151.11166	32.7
161.09610	48.8
163.07523	11.8
165.09103	4.4
171.08055	7.6
179.10667	34.8
185.34966	3.1
189.09117	28.6
196.98337	3.3
197.11719	11.6
206.47527	3.0
207.10110	10.8
225.11176	30.8
243.12311	5.8
299.14890	53.1
299.20016	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	2-Phenylethyl ferulate
Peak:m/z	Relative Intensity
52.53728	0.5
53.03938	1.1
55.01873	0.8
55.05511	1.1
57.03421	0.5
57.07076	1.1
57.14228	0.4
58.34072	0.5
67.05495	2.1
69.07059	0.8
69.60313	1.2
69.60717	3.1
71.79612	0.5
79.05475	4.4
81.07038	1.6
83.08602	0.8
91.05461	3.1
93.07048	0.7
95.01943	0.6
95.04947	1.9
95.08590	1.5
97.10201	0.6
103.05452	6.3
105.07025	13.9
107.04948	0.7
107.08584	1.3
109.10083	0.5
115.05426	0.9
117.07021	0.6
119.08579	1.1
120.05717	0.6
121.06398	0.5
121.10179	0.5
123.04424	2.7
123.08084	0.8
129.06998	0.7
131.04910	2.1
131.08546	0.9
133.06497	2.3
133.10094	1.0
135.04369	0.8
135.08035	1.1
143.08595	0.6
145.10088	1.0
147.04414	0.8
148.05209	1.2
149.05969	1.3
157.10089	0.9
159.11676	0.9
163.07533	100.0
164.07858	1.1
170.65492	0.5
171.11646	0.6
177.09030	1.2
199.14955	0.6
299.09299	1.0
299.12677	7.4
299.20032	1.7
317.19513	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
51.02389	0.2
53.03940	0.6
55.01875	0.9
57.03434	0.2
64.46618	0.1
65.03922	0.3
66.64732	0.1
67.05505	0.8
68.99791	1.2
69.03431	0.4
71.04970	0.1
71.58642	0.3
77.03927	0.3
78.62531	0.2
79.05493	5.2
81.03398	0.2
81.07061	0.8
83.04962	0.2
85.06557	0.2
89.03859	0.1
91.05470	3.2
93.07033	0.7
95.04972	2.3
95.08599	0.2
97.02905	0.4
98.13052	0.2
102.04661	0.2
103.05466	7.3
105.03402	0.2
105.07027	17.6
107.04971	1.1
107.08569	0.5
109.06492	0.5
111.96686	0.2
115.05444	1.6
117.07001	0.7
119.04919	0.3
120.05706	0.8
121.06483	1.6
123.04424	6.0
123.08069	0.5
128.06256	0.4
129.06998	1.1
131.04930	2.4
131.08557	0.9
133.06493	5.9
133.10036	0.2
135.04425	1.2
135.08043	2.3
137.02333	0.2
137.05962	0.9
141.06998	1.2
142.07797	0.3
143.08516	0.2
144.05702	0.6
145.06464	1.5
147.04407	1.5
147.08073	0.2
148.05215	0.9
149.05974	4.0
151.07553	0.8
155.08553	0.3
157.06494	0.8
157.10162	0.2
158.07297	0.3
159.08061	2.1
159.34056	0.2
160.05379	0.2
160.08827	0.6
161.06020	0.8
161.09596	0.4
162.06783	0.2
163.07535	100.0
164.07846	1.3
165.07004	0.3
165.09140	0.2
167.07001	0.4
167.08524	0.3
169.10187	0.2
171.08073	0.4
172.08760	0.3
173.06084	0.3
174.06775	1.0
175.07549	0.8
177.09105	1.8
178.07750	0.3
179.08527	0.3
181.06494	0.2
181.10088	0.2
185.05975	0.3
187.07558	0.3
189.05513	0.3
189.09114	1.3
190.08109	0.2
190.09850	0.9
195.08052	0.4
197.05980	0.2
197.09497	0.3
199.07501	0.3
207.08105	0.3
210.06897	0.2
211.07611	0.4
213.09010	0.2
218.07288	0.3
219.07948	0.2
221.05922	0.5
221.09479	0.3
223.07538	0.5
224.08240	0.3
225.09064	0.3
235.07483	0.4
236.08395	0.3
238.06146	0.2
239.06996	0.4
239.10768	0.2
240.07851	0.2
241.08604	0.5
241.12296	0.2
242.09378	0.2
249.09032	0.4
250.06305	0.3
251.06862	0.2
251.10777	0.3
253.08580	0.6
256.07339	0.3
262.08835	0.2
266.05750	0.5
267.10144	1.8
268.10947	0.5
269.11652	0.4
271.09674	0.8
271.12988	0.2
281.08063	1.5
281.11697	1.0
283.09799	0.2
284.10400	0.7
299.12756	32.8
300.13046	0.9
316.60419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
50.20095	0.3
56.99741	0.3
57.21443	0.3
61.01148	5.9
67.05499	0.5
68.97904	0.3
69.03416	1.4
69.07063	3.7
69.25461	2.8
69.25867	0.6
70.06569	1.0
72.08151	0.4
72.81902	0.3
75.02702	2.6
79.05473	0.3
81.03400	1.0
81.07034	0.3
81.45603	0.3
84.08144	0.4
85.02894	0.5
86.09677	0.4
88.41648	0.3
97.02882	1.6
103.02158	0.5
109.05132	0.3
110.07166	0.6
115.07561	0.5
119.03539	0.9
120.08094	0.5
127.03925	0.7
136.06181	100.0
137.02327	1.0
137.04585	0.8
137.06541	0.8
145.03180	1.2
154.04985	0.4
156.07608	0.4
163.04236	1.0
174.58412	0.3
183.02916	0.4
220.03140	0.4
257.63556	0.3
298.09579	2.5
298.23615	0.4
311.36639	0.3
319.22214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	Cassine
Peak:m/z	Relative Intensity
53.03933	1.4
55.05514	10.9
56.05017	2.1
56.96540	1.0
57.03413	1.4
57.07069	2.1
58.06599	1.5
66.36552	1.0
66.67219	0.9
67.05502	13.1
68.05003	4.2
69.03421	1.9
69.07061	12.3
70.59045	2.8
71.04970	3.4
71.08606	0.9
72.04511	15.3
74.06075	1.0
79.05479	7.2
80.02374	0.9
80.05809	1.5
81.03410	1.5
81.07054	15.7
81.84864	1.1
82.06598	1.7
83.04955	2.0
83.08614	4.7
85.02907	1.0
85.54221	1.0
86.06055	1.8
88.07600	1.1
91.05474	4.3
92.05782	1.1
93.07053	8.2
94.06576	1.7
95.04967	2.7
95.08606	11.5
95.81970	1.0
96.08139	6.5
97.06532	2.5
97.10186	1.5
98.09659	2.0
99.04343	1.2
105.07031	4.8
107.04949	1.5
107.08586	4.7
108.08094	1.2
109.06521	1.2
109.08878	2.0
109.10133	4.6
110.09670	5.3
112.07602	6.5
118.05637	1.1
119.08579	3.0
121.10123	3.1
122.09659	2.2
129.06961	1.0
133.10124	1.9
134.99678	1.3
136.06186	2.6
137.05995	1.1
147.11636	2.3
149.06003	1.4
155.64308	1.0
162.06287	1.5
163.07538	11.8
171.11652	1.4
211.07364	1.4
262.25284	13.5
274.97437	1.1
280.26334	100.0
281.26758	1.8
298.07880	1.1
298.11298	1.8
298.27380	94.5
299.05704	1.8
299.09033	2.8
299.12772	5.4
299.19809	1.0
299.27747	2.3
309.74329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.63395	5.1
55.01878	7.0
55.05511	69.3
57.03438	7.7
57.07074	20.1
60.44533	5.0
67.05503	100.0
69.03403	5.3
69.07068	56.6
69.83025	31.0
71.04989	11.7
71.08635	19.4
77.43175	5.0
79.05480	41.9
81.07054	97.6
83.04958	5.4
83.08606	47.1
85.06563	8.6
91.05479	18.0
93.07051	36.1
95.08610	65.5
97.06531	13.9
97.10169	51.0
98.21442	8.3
98.32440	5.2
105.07021	20.8
107.08601	39.1
109.10139	49.8
119.08601	11.7
121.10148	22.8
123.11694	17.2
125.09618	32.8
133.10147	12.5
135.11725	30.3
137.13300	7.8
145.10098	6.6
147.11682	6.4
149.13286	7.4
151.07513	6.5
153.08969	5.0
153.12688	9.7
163.14861	7.8
169.15872	6.2
173.13354	7.3
183.13794	36.1
189.11255	17.6
195.30801	4.8
203.10760	5.9
235.10695	7.0
251.78798	7.0
261.22165	17.2
264.38910	5.7
266.12671	20.5
279.23145	49.8
297.18539	6.2
297.29779	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
52.79428	2.0
53.03936	4.5
55.01863	8.1
55.05513	29.1
57.03438	13.9
57.07055	4.3
59.05003	2.4
65.03903	4.7
66.60414	2.0
67.05504	93.1
69.03432	18.5
69.07066	40.3
70.07735	2.0
71.04996	24.1
71.57479	4.9
79.05500	43.2
81.03397	6.7
81.07057	95.0
83.04990	18.5
83.08633	16.5
85.02894	2.9
85.06546	71.6
85.61518	2.0
86.03742	2.0
87.40609	1.9
91.05470	29.4
93.07045	59.6
95.04983	20.7
95.08607	100.0
97.02914	2.2
97.06519	16.6
97.10156	8.6
99.08080	3.7
105.07019	28.3
107.04951	17.0
107.08598	36.8
107.38367	2.2
108.05293	2.1
109.06534	9.9
109.09467	3.7
109.10158	49.7
111.08083	11.2
113.06001	25.1
113.09614	2.8
115.05489	2.5
117.07018	11.5
119.08591	17.8
121.10144	36.9
123.08066	8.3
123.11693	9.8
124.07593	4.2
125.09614	5.6
129.07002	3.6
131.08601	14.4
133.06406	2.3
133.10133	26.5
135.08028	4.2
135.11682	28.6
136.12057	2.1
137.09648	2.5
137.13251	5.8
139.11156	3.7
141.09094	8.1
143.08582	3.0
145.06499	2.4
145.10098	11.6
147.11655	18.4
149.09633	4.5
149.13237	11.0
151.11211	2.3
153.12752	5.2
159.11703	9.8
161.02309	4.0
161.13235	9.5
163.11290	3.3
163.14821	4.6
167.03461	2.4
173.13281	5.0
175.14883	5.5
177.12683	2.3
177.16425	5.1
181.10052	2.1
187.14789	4.0
189.16321	3.8
191.07092	4.7
191.17909	2.6
201.16328	3.6
201.70685	2.0
203.17972	8.5
205.06526	2.2
205.19455	2.9
217.19495	2.1
221.18999	6.5
222.83617	2.0
223.13351	2.6
237.09212	3.0
243.21056	11.4
249.38516	2.2
261.22122	8.1
265.08594	5.6
279.23218	17.9
297.07855	3.1
297.11292	11.7
297.18542	2.8
297.21570	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.2
53.03925	0.3
55.05497	1.0
55.70526	0.3
57.03421	0.4
60.04510	0.3
60.50763	0.2
66.74976	0.2
66.92491	0.3
67.05495	2.0
69.03416	0.4
69.07055	1.0
71.04982	0.6
71.57726	0.3
73.02836	0.3
75.01753	0.2
77.03905	1.1
79.05486	1.3
81.07039	2.2
83.04964	0.9
83.08627	0.4
85.02908	0.3
85.06531	0.9
91.05463	0.9
93.07040	1.7
95.04949	1.6
95.08598	2.0
96.05289	0.3
97.06542	0.4
97.10178	0.4
101.53030	0.3
102.80305	0.2
105.02715	0.5
105.03387	7.2
105.07030	0.9
107.04946	0.5
107.07965	0.3
107.08565	1.4
109.06493	0.5
109.10136	0.8
117.07059	0.3
119.08562	0.7
120.02077	1.0
121.10146	0.7
123.08049	0.3
125.09747	0.3
131.08568	0.6
133.02840	5.5
133.10072	0.5
135.11714	0.3
142.07692	0.2
145.10129	0.4
147.04404	0.3
147.11711	0.5
151.03903	2.1
151.36710	0.2
159.11568	0.3
161.02332	100.0
162.02643	1.2
163.03880	0.8
165.06956	0.2
177.61163	0.2
187.04085	0.3
187.14871	0.3
214.20599	0.2
219.15717	0.8
229.23531	0.3
236.07889	0.3
237.05498	1.1
237.16835	1.3
238.15155	0.5
247.08472	0.5
251.07104	0.3
251.10347	0.3
255.06453	1.3
255.17856	0.8
260.30362	0.3
265.13925	0.3
266.12671	0.7
279.23407	0.3
290.29993	0.3
293.85342	0.3
297.07584	2.1
297.11267	0.9
297.18719	1.7
297.22107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	7.4
55.01873	16.3
55.05507	67.1
56.96554	4.0
57.03423	11.0
57.07064	14.3
57.60329	2.6
59.05007	2.6
59.05431	2.5
60.65204	2.6
63.35359	2.4
64.00308	2.5
65.03920	3.7
65.64960	2.3
66.50221	2.8
67.05501	100.0
69.03426	6.2
69.07063	48.8
71.04987	6.2
71.08633	15.7
71.08968	2.5
71.58274	2.8
71.58677	4.1
71.79057	3.6
73.96415	2.5
79.05492	64.9
79.05963	3.2
81.03403	11.0
81.07053	82.0
81.07527	5.0
83.04980	35.0
83.08612	31.0
85.06553	8.9
85.10169	3.9
91.05476	42.2
93.07036	71.6
95.04967	33.3
95.08598	67.5
97.06495	16.5
97.10157	21.5
97.47444	2.8
99.08103	8.8
101.66515	2.5
105.07018	31.7
107.08595	37.1
109.06516	13.5
109.10161	30.8
111.08079	12.3
117.06990	7.5
118.07523	3.3
119.08580	24.6
121.06512	3.3
121.10136	30.7
123.08071	9.8
123.11700	7.7
125.09592	12.9
129.06947	6.7
131.08553	9.2
133.10101	18.3
135.08044	3.9
135.11653	13.3
137.09593	11.2
139.11172	23.5
143.08522	3.8
145.10162	6.4
147.11647	16.1
149.13268	11.9
151.11172	10.9
153.12750	5.4
157.10030	2.7
159.11679	8.3
161.13243	13.7
163.11273	4.9
163.14737	5.5
165.12753	10.4
171.11679	7.0
175.02673	3.1
175.14844	8.2
177.12747	3.0
179.14322	6.3
185.13164	3.4
189.11227	4.3
189.12773	6.1
193.12183	5.8
215.57095	2.9
221.15381	3.4
223.10838	2.6
231.21140	4.7
239.06990	3.4
241.19534	7.3
249.22108	6.9
249.89220	2.7
250.09908	3.9
259.20630	10.2
261.74240	2.7
265.12109	5.4
277.21613	75.5
295.22699	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67205	0.2
56.05034	0.5
58.06582	0.6
60.08161	4.5
68.05022	0.7
69.03418	0.9
69.50850	1.9
69.51209	0.2
71.07365	3.4
76.51767	0.2
79.41251	0.2
81.03419	0.3
85.02897	1.1
86.09701	22.9
87.10017	0.4
89.35971	0.2
97.02901	0.7
98.06039	0.4
104.10739	100.0
105.11060	1.5
109.02909	0.3
116.07092	0.5
127.03878	0.3
134.08118	8.8
140.68799	0.3
145.04973	0.3
236.99240	26.1
237.99527	0.3
238.14215	0.2
296.06583	18.6
296.13510	0.8
297.06866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11248	2.0
51.32689	1.9
53.03943	2.1
55.01864	7.0
55.05499	12.4
56.96564	2.6
57.07069	3.3
57.51266	2.0
58.59727	2.1
60.04507	4.3
67.05499	35.3
68.05856	3.1
69.03431	3.4
69.07069	15.5
70.06590	9.0
70.59110	6.4
71.04996	12.8
77.03928	2.7
78.13618	2.2
79.05492	23.7
80.05007	4.6
81.03426	4.4
81.07049	27.0
82.06576	7.2
82.07381	3.8
83.04969	7.5
83.08625	3.4
84.08157	4.5
85.06537	3.9
91.05476	21.3
92.05817	2.7
93.07035	21.1
94.06562	19.3
94.07372	3.8
95.04959	62.2
95.08608	21.7
96.04473	3.9
96.08129	4.1
96.08936	3.0
97.06511	5.7
97.10144	3.8
98.06050	16.3
98.09679	6.0
105.03375	5.8
105.07030	10.0
106.06556	9.0
106.07267	2.2
107.04949	8.2
107.07339	2.3
107.08594	10.5
108.08114	11.3
108.08916	3.4
109.06512	15.1
109.10148	8.8
110.06062	6.3
110.10458	2.5
112.37363	2.3
117.07030	6.7
119.08549	10.6
120.08081	4.3
121.06479	7.4
121.10133	5.6
122.06056	2.6
123.08071	5.3
124.07592	7.7
131.08568	6.8
133.02847	6.7
133.10133	9.3
135.08063	5.1
135.11681	5.7
136.07544	3.3
136.20630	1.9
137.09612	4.3
140.07082	4.8
143.08556	3.0
147.11705	2.4
149.13258	4.2
155.08530	2.2
157.10123	2.9
159.08099	2.3
159.11725	8.7
161.02328	100.0
161.09589	11.3
165.99625	1.8
173.13275	3.9
177.12743	11.6
183.26677	2.0
190.15915	3.5
191.08565	2.1
194.15417	8.4
197.41154	2.1
199.06943	2.4
201.12724	5.7
207.08154	2.0
208.13319	6.5
208.16933	5.6
212.16449	5.9
218.07095	2.2
218.15414	24.4
219.13754	13.2
222.47339	1.9
226.14368	9.5
234.10306	12.5
235.07562	11.6
236.16438	67.6
237.14828	33.3
237.16920	3.3
250.09918	15.8
250.22681	1.9
254.17494	31.3
260.16522	6.9
265.12201	32.4
278.17450	24.0
278.22086	6.7
296.18674	52.7
296.23096	4.4
297.07617	3.4
297.18817	2.3
298.21152	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	8.4
55.01876	10.3
55.05263	8.4
55.05511	100.0
56.05849	35.4
57.03431	9.5
60.92368	5.3
67.05513	71.0
68.05840	11.7
69.03425	10.5
69.07069	31.5
70.07391	5.0
70.14289	9.7
70.14644	22.0
70.23849	4.6
71.08642	10.6
74.57651	4.4
76.00768	5.0
76.86473	5.0
79.05486	46.8
80.05833	13.7
81.03415	14.8
81.07056	53.1
82.07379	7.1
83.04971	13.0
83.08624	40.8
84.08968	20.6
84.16306	4.5
85.06520	4.8
91.05465	31.2
92.05812	9.1
93.07056	40.6
94.07362	12.9
95.04964	13.7
95.08603	18.5
97.06499	8.6
97.10162	58.2
98.10478	29.7
99.08084	11.0
99.10861	7.2
105.07040	25.0
107.04946	5.8
107.08572	38.6
108.08931	11.5
109.06522	6.0
109.09288	5.1
109.10142	17.9
116.07767	5.0
117.07015	9.1
119.08585	11.7
121.10162	13.0
122.10478	5.0
125.09620	38.4
126.09972	40.6
127.10189	16.2
131.08585	10.5
132.40012	5.5
133.10138	11.0
135.08107	8.3
135.11705	11.5
147.11697	6.7
151.11221	19.0
153.09154	5.2
153.12770	6.8
163.11143	5.3
175.12379	5.2
179.14378	6.2
189.11249	22.0
190.11520	31.9
191.11812	20.0
277.21307	37.6
295.22336	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03940	7.9
55.01873	13.1
55.05507	27.7
56.67811	2.4
57.03429	21.4
57.07072	5.8
65.03933	5.0
67.05500	94.2
69.03423	23.7
69.07070	34.9
70.07420	2.9
71.04992	47.3
71.31824	5.0
73.02921	3.7
77.19897	2.8
79.05489	62.4
81.03408	15.6
81.07052	100.0
83.04968	14.1
83.08607	18.0
85.06541	45.3
91.05476	58.3
93.07043	86.1
94.06568	4.2
95.04979	21.2
95.08602	75.9
97.06525	33.6
98.97597	3.0
99.04469	3.5
99.08115	6.7
103.05450	3.2
105.07027	48.0
107.04942	5.0
107.08596	56.7
109.02908	5.4
109.06523	57.1
109.10146	34.4
111.08095	17.0
113.05338	2.7
113.06002	16.9
113.09649	3.3
117.07018	15.8
119.08589	35.4
121.06505	2.9
121.10138	33.6
123.08055	12.7
123.11664	4.6
125.09647	9.2
127.07590	2.8
129.07028	7.0
129.87642	3.1
131.08572	28.3
133.06485	5.2
133.10126	32.4
135.08067	7.2
135.11682	31.6
136.06422	3.0
137.09615	7.0
139.07544	11.3
141.09084	6.4
143.08543	7.0
145.10110	24.3
147.11694	24.8
149.09633	6.7
149.13231	21.1
151.03902	8.6
151.11186	5.6
157.10062	3.6
159.11676	17.6
161.13261	10.1
163.11214	5.1
171.11679	9.8
173.13255	10.4
175.14822	10.3
177.12747	3.0
177.37305	3.2
185.13263	16.3
187.14828	11.8
189.16394	7.6
199.14833	7.0
201.16362	9.7
211.16960	4.4
215.17970	4.7
221.06006	9.4
241.19498	9.5
249.05492	5.3
259.20575	8.4
265.12314	4.9
267.06461	4.2
277.01315	2.9
277.21738	16.7
295.06015	11.4
295.09116	3.8
295.22635	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03922	8.4
55.01866	19.5
55.05270	6.9
55.05512	100.0
56.05849	19.7
57.03429	12.3
57.07069	12.3
59.04998	4.2
67.05503	96.6
68.05843	4.5
69.03410	13.1
69.07067	54.6
70.07375	3.9
70.18868	13.8
71.04968	8.2
71.08633	9.6
73.55733	3.0
73.77135	3.3
79.05492	63.0
80.05830	8.7
81.03410	15.0
81.07055	94.8
83.04986	31.0
83.08619	44.1
84.08955	13.2
85.06550	7.6
85.09263	3.9
85.10186	5.4
91.05473	45.1
92.05817	5.4
93.07041	68.5
94.07349	7.2
95.04967	27.9
95.08615	53.7
97.06512	14.6
97.10170	51.5
98.10512	28.4
99.08080	7.5
99.10825	8.1
105.07043	28.0
106.07375	6.2
107.04931	4.1
107.08581	46.2
107.49496	3.3
108.08924	7.9
109.06503	10.8
109.10161	21.8
111.08090	5.3
116.39288	4.4
116.44186	3.6
117.06998	10.0
119.08598	24.6
120.82320	3.3
121.06560	5.0
121.10133	27.3
123.08062	5.6
123.11702	9.6
125.09639	34.5
126.09973	25.0
127.10227	12.9
131.08578	14.1
133.10149	18.1
135.08148	3.4
135.11690	16.4
136.08418	4.2
137.09612	15.6
139.11159	19.8
147.11650	14.0
147.56198	3.8
148.11838	3.4
149.09595	6.7
149.13242	10.5
151.11198	9.4
153.09184	5.6
153.12715	5.5
157.10110	4.5
159.11623	4.1
161.13293	10.2
165.12741	9.7
171.11601	4.3
175.11200	5.8
175.14796	4.7
179.14389	4.7
189.11220	16.1
190.11591	17.2
191.11719	10.1
207.13763	4.2
221.15384	4.3
231.21001	4.6
235.17026	4.6
241.19443	4.8
249.22050	5.7
259.20572	10.0
277.21582	72.6
295.22644	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03925	6.1
55.01871	68.3
55.05508	32.0
57.03419	3.7
57.07057	8.9
65.03943	1.9
65.79813	1.9
67.05500	41.9
69.03417	6.0
69.07066	85.7
69.33595	10.5
69.34022	10.0
70.07381	3.1
71.04990	4.6
71.08607	6.0
76.15015	1.9
79.05489	34.1
80.55953	2.0
81.03423	18.9
81.07054	40.9
82.07372	2.8
83.04969	12.3
83.08609	10.7
83.87973	2.0
85.06535	2.4
85.10179	5.2
91.05476	19.0
92.05808	2.3
93.07041	36.1
93.83294	1.9
94.07383	2.2
95.04963	23.2
95.08597	28.0
96.05293	4.0
97.06509	11.8
97.10157	6.7
97.14461	2.4
99.08063	3.3
105.07014	13.3
107.04945	3.0
107.08591	15.7
109.06489	6.5
109.10139	15.0
111.04476	2.5
111.08085	5.2
111.11730	6.1
113.09636	7.2
117.07016	2.9
118.13969	2.1
119.08578	14.8
121.10107	15.6
123.08049	15.8
123.11707	3.9
125.09625	3.2
125.11027	2.1
129.06982	5.1
131.08594	5.2
133.10115	11.4
135.08070	2.4
135.11670	7.5
137.09595	9.9
139.10094	5.1
139.11177	100.0
143.08496	3.1
145.10081	4.4
147.11694	7.6
149.09616	3.1
149.13257	3.0
151.11180	10.3
157.10129	3.6
161.13242	5.9
165.09073	3.1
165.12740	15.8
171.11726	4.9
173.13264	4.4
175.14861	2.6
179.14301	2.2
181.12250	4.3
194.62665	2.2
207.13741	3.2
231.20908	3.0
238.15387	2.4
239.15428	3.6
241.19484	4.0
249.22150	5.7
259.20465	6.5
265.12155	6.1
277.21634	49.1
295.09552	6.9
295.17139	3.2
295.22446	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03946	29.3
55.01856	11.2
55.05509	42.0
57.03436	3.7
57.07067	9.2
63.61352	2.6
67.05500	81.3
69.07064	60.8
70.64680	6.3
70.65073	5.7
71.05009	3.9
71.08619	9.3
79.05489	57.5
81.03415	100.0
81.07056	77.6
82.05600	3.4
83.04979	25.1
83.08613	13.3
83.34788	3.0
85.06517	2.9
85.10180	4.2
89.64233	2.9
91.05474	34.5
93.07037	61.8
95.04964	56.6
95.08598	41.0
97.06525	5.7
97.10159	12.9
105.07036	32.7
107.04955	3.3
107.08589	37.9
107.93369	2.7
109.06502	11.1
109.10156	29.4
111.08073	4.0
113.09634	5.6
117.07018	5.3
119.08584	17.1
121.10160	18.9
123.08054	3.1
123.11664	8.3
125.09621	10.3
129.06946	3.1
131.08551	5.5
133.10141	26.3
135.08076	6.3
135.11682	10.9
145.10007	3.2
147.11688	21.1
149.13235	9.4
151.11176	65.3
153.09094	5.9
157.10103	3.8
159.11693	3.8
161.13213	18.2
163.14786	5.0
165.12769	15.6
171.10194	3.1
171.11690	4.9
175.14862	4.1
179.14326	7.7
181.12108	3.2
189.12697	4.9
193.12300	3.3
196.17578	3.0
199.14961	3.3
207.13852	8.7
217.19493	5.1
231.21089	17.7
241.19481	8.7
249.22130	9.9
259.20551	10.2
277.21625	82.0
295.09732	5.0
295.22604	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.68468	6.6
53.03941	42.6
54.24771	5.6
55.01865	15.0
55.05510	60.0
57.03419	9.2
61.07579	6.7
64.61103	7.2
67.05500	96.0
69.07070	53.2
69.89848	12.2
69.90261	28.0
76.90574	6.1
79.05496	55.3
79.78832	7.3
81.03413	100.0
81.07046	85.7
83.04977	24.6
83.08604	13.9
85.06541	7.1
85.81036	6.8
86.45468	7.4
89.39441	6.5
91.05499	43.8
93.07023	51.1
95.04961	60.0
95.08605	34.8
97.10178	13.0
105.07032	31.2
107.08595	29.3
109.06514	10.2
109.10175	16.6
117.06999	8.3
119.08586	19.6
121.10078	9.5
123.08064	9.0
131.08551	7.9
133.10143	18.6
135.08028	6.7
137.09581	11.1
147.11679	15.7
151.11206	36.1
161.13184	9.9
165.12700	15.0
168.94496	6.5
171.10187	6.4
221.15358	8.5
229.39764	7.1
231.21207	7.7
248.16519	7.8
277.21658	64.0
295.22577	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03959	1.4
55.05505	9.1
57.03442	1.3
57.07075	1.9
62.28415	1.0
65.03940	3.8
67.05502	100.0
69.03419	3.1
69.07069	10.0
70.07399	1.2
70.21349	4.8
71.05000	1.9
79.05483	17.6
81.03397	1.8
81.07053	94.9
83.02171	1.0
83.08620	3.2
87.04461	4.7
91.05479	7.2
91.70400	1.1
93.07044	12.9
95.04984	2.3
95.08604	69.1
96.08888	1.3
97.06545	2.7
97.10148	2.1
98.20857	1.5
99.08061	1.4
101.06018	2.6
105.07021	2.9
107.08567	7.8
108.90992	1.0
109.10155	41.3
110.10549	1.2
111.08035	1.2
115.03937	3.1
115.07566	1.4
119.08611	4.7
121.10128	7.4
123.11697	24.6
125.09665	1.2
133.10117	3.5
135.11703	4.7
137.13214	8.1
147.11667	2.4
149.13290	4.1
151.14830	1.7
159.00922	1.1
161.13260	2.6
175.11194	1.3
175.14807	2.4
189.16541	1.2
235.07596	1.8
239.16452	1.4
249.22244	1.7
250.09856	1.5
265.12253	2.7
277.21503	4.1
279.06494	1.4
295.06134	1.2
295.09564	5.5
295.22656	21.9
300.24225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.10048	4.3
53.03934	7.8
55.01870	7.4
55.05507	34.6
57.03432	29.6
57.07073	7.0
65.03947	4.3
67.05501	82.8
69.07065	29.0
69.73019	30.4
71.04983	4.1
71.08626	25.6
77.77313	3.9
79.05487	49.3
79.69623	3.6
81.03413	27.5
81.07050	83.1
83.04974	15.5
83.08633	12.6
85.06558	8.3
91.05466	26.6
93.07037	58.3
95.04957	21.8
95.08605	73.0
97.06476	8.3
97.10167	8.6
99.08091	19.2
105.07037	24.0
107.08587	33.3
107.64503	4.6
109.06519	7.7
109.10138	32.1
117.06992	6.0
119.08557	19.4
121.10137	30.8
123.08083	7.5
123.11733	7.5
131.08574	6.7
133.10130	18.3
135.11729	23.6
137.09616	9.1
139.11198	6.5
145.10106	10.9
147.11652	10.8
149.13283	10.4
151.11159	29.2
159.11693	8.8
159.83788	4.5
165.12778	4.7
171.11615	5.4
179.14311	10.0
187.14777	10.9
205.15878	7.7
221.15411	7.1
221.19272	6.9
223.17096	4.6
259.20557	8.4
277.21619	94.7
277.24393	8.6
288.56763	4.6
295.22672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1651
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
53.03935	0.5
55.01859	1.7
55.05506	1.2
56.96555	2.3
57.03430	1.1
57.07068	0.5
61.02927	0.6
65.03913	0.9
67.05501	2.4
69.03432	4.6
69.07060	2.4
70.07354	0.5
71.04987	1.0
71.57272	0.8
72.08156	0.7
73.13852	0.5
74.02424	1.1
79.05495	1.9
81.03413	1.8
81.07061	2.3
83.04988	1.2
84.08144	1.0
85.02893	2.3
85.06544	0.7
86.09706	5.7
91.05479	30.4
93.07047	3.1
94.06560	0.5
95.04968	3.8
95.08585	2.6
97.02881	2.4
97.06512	2.5
98.97588	4.9
99.04472	0.5
103.05431	1.0
105.07044	2.7
107.04949	2.1
107.08588	2.0
107.68930	0.5
109.02891	0.5
109.06522	2.3
109.10146	1.2
110.06047	0.7
111.08071	1.2
115.05498	0.6
116.98624	4.2
117.02337	0.5
117.07002	1.1
118.06522	1.2
119.04099	1.1
119.04939	17.6
119.08588	1.6
120.08111	3.6
121.06508	3.6
121.10137	1.9
123.04411	1.0
123.08102	0.6
123.92400	0.5
124.07598	0.9
125.05956	1.1
128.06157	0.6
129.07063	0.7
130.08661	0.6
131.08560	0.9
132.10197	1.4
133.04880	0.5
133.06496	0.7
133.10123	1.5
134.99663	3.3
135.08061	1.2
136.07574	100.0
137.05960	1.4
137.07924	0.9
137.09662	0.5
138.09143	1.1
141.09074	0.5
143.08539	0.9
145.06516	0.9
145.10081	1.3
146.05992	0.5
147.04344	1.6
147.11652	0.5
149.09653	0.6
150.07745	1.0
151.03929	1.0
151.07549	0.6
152.07108	0.7
153.00679	0.5
154.08641	3.8
158.99663	2.4
161.05962	0.6
161.10759	1.8
163.03891	0.7
163.11159	0.5
165.06961	1.2
171.11732	0.5
173.13194	1.3
173.87312	0.5
177.00694	5.0
187.11203	0.7
191.14366	0.7
205.08507	0.5
207.14041	0.5
214.08574	2.2
219.01743	2.8
221.06009	4.3
223.09175	0.6
249.05417	2.5
249.15984	1.0
250.06075	0.7
250.10435	0.7
250.14445	0.5
265.12228	0.6
267.06448	0.6
277.05109	1.0
277.15317	1.0
278.13989	0.6
295.05954	4.7
295.11679	0.8
295.16397	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66813	1.3
53.03931	1.4
53.78318	1.4
55.01865	2.6
55.05512	3.3
56.32102	1.3
57.03438	2.3
57.07072	1.4
61.02919	4.8
66.15891	1.2
67.05505	2.4
69.03432	12.7
69.07058	8.8
70.04094	4.1
70.04501	3.2
70.06589	2.5
73.02908	4.5
79.05484	3.1
79.25010	1.2
81.03408	6.3
81.07065	4.1
83.04980	1.4
84.08141	4.2
85.02903	51.7
86.09698	8.7
87.04472	2.2
87.08102	8.8
91.03973	2.0
91.05477	33.4
93.07034	3.9
95.04963	3.4
95.08593	3.2
97.02886	10.8
97.06530	1.7
98.21580	1.5
98.97594	3.9
99.04458	3.1
105.07050	4.7
105.56293	1.2
107.04952	2.5
107.08585	4.0
109.02874	3.9
109.06516	1.2
116.98647	4.2
117.06998	2.2
119.04931	17.5
120.08101	3.0
121.06528	3.8
121.10167	2.4
127.03890	9.6
129.10100	1.7
131.04907	1.7
131.08536	1.8
133.10164	2.5
134.99660	2.6
135.04385	2.7
136.07576	100.0
145.04935	9.9
145.10139	2.4
147.04401	3.1
147.11647	1.9
149.09602	1.5
150.07742	22.9
151.03987	2.2
151.07483	1.4
154.08655	2.0
156.19675	1.3
158.99692	1.6
161.05981	3.1
163.03888	7.1
164.07008	1.5
167.07054	1.5
172.01424	1.3
173.13153	1.5
177.00688	3.7
219.01851	2.8
221.05933	5.1
231.06520	1.7
249.05350	2.1
249.15977	2.0
277.14871	1.3
295.05823	6.4
295.16394	4.8
296.06265	1.5
306.47586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1286
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
55.05501	0.8
56.05025	0.9
56.96551	1.0
57.03438	5.7
58.06304	0.9
58.06596	17.2
64.96687	0.6
65.19903	0.5
67.05494	0.9
69.03415	1.4
69.07059	1.3
71.56868	0.4
71.57257	0.7
74.02438	7.9
79.05481	1.7
81.03426	0.5
81.07041	1.5
84.04488	2.7
85.02900	0.9
86.09705	0.8
91.05473	2.2
93.07035	2.1
94.04032	1.6
95.04946	0.4
95.08601	0.7
97.02890	1.1
97.06483	0.5
98.97585	1.9
102.05531	5.6
103.05459	7.1
105.07019	1.9
107.04933	1.6
107.08576	0.6
109.10161	0.5
110.06064	0.5
111.04430	0.6
116.98633	1.7
119.08585	0.9
120.08096	100.0
121.08438	2.1
121.10110	0.7
123.06734	0.6
124.07547	0.8
130.05003	0.6
130.06525	2.8
131.04915	2.0
133.10040	0.5
134.08113	0.8
134.99655	1.1
136.06163	2.1
136.07573	0.8
137.05927	0.7
140.07057	0.5
146.05969	1.4
146.99727	0.7
147.04480	0.7
149.01274	0.5
149.05965	1.8
150.07742	44.3
158.09683	0.8
160.11214	1.8
161.01210	0.5
162.04103	1.4
166.08627	27.2
172.98726	0.5
173.13348	0.6
174.05553	0.5
177.00697	1.6
181.54039	0.4
201.07738	0.8
203.11765	2.1
214.08618	1.5
219.01857	0.6
221.05962	1.3
223.09061	2.2
231.11110	0.9
232.09737	1.6
245.50966	0.5
249.12341	16.1
277.11777	0.6
277.15311	0.9
295.06070	1.4
295.12863	3.7
295.16434	1.3
303.04797	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03940	3.2
55.01873	9.6
55.05509	38.8
55.56640	1.1
55.71786	1.1
56.96562	6.8
57.03429	2.6
57.07071	21.3
59.38039	1.3
65.03931	1.8
66.92455	1.4
67.05501	45.5
69.03425	6.2
69.07065	71.6
71.00207	1.1
71.04969	5.0
71.07354	2.8
71.08631	8.3
79.05491	31.0
81.03426	2.9
81.07053	100.0
83.04974	4.8
83.08614	40.0
85.02922	1.2
85.06533	19.8
85.10175	3.3
91.05470	18.3
93.06481	1.9
93.07042	34.6
95.04955	11.3
95.08603	89.9
96.08952	3.4
97.06540	9.9
97.10165	20.5
98.97562	4.6
99.08095	6.9
100.99853	1.2
105.07034	16.8
107.04922	4.0
107.08584	47.6
108.08914	2.4
109.06502	8.1
109.10147	53.4
110.10469	2.8
111.08074	32.2
111.11699	6.4
113.09592	1.6
116.98613	6.5
117.07008	4.4
118.15083	1.3
119.08572	12.4
121.06506	3.5
121.10139	21.8
123.04301	1.2
123.08064	3.6
123.10814	2.5
123.11692	33.1
124.12029	1.5
125.09630	11.6
125.13251	2.8
129.06952	1.9
131.08588	6.9
131.89880	1.2
133.10135	10.0
134.99651	8.2
135.08023	4.3
135.11697	11.4
137.05960	1.5
137.09587	2.0
137.13232	15.9
139.11156	5.2
141.99054	1.2
143.08530	1.7
145.10126	4.6
147.08049	2.2
147.11668	4.8
149.02316	5.5
149.09546	5.7
149.12180	1.6
149.13268	17.7
151.11163	2.3
151.14870	3.2
153.00696	3.4
153.12720	2.9
157.09990	1.7
159.07968	1.4
159.11664	6.0
161.13263	3.0
163.03818	2.0
163.11206	2.9
163.14832	5.2
167.14311	5.8
171.11678	2.9
173.13280	3.9
175.11229	1.4
177.12752	2.9
177.16278	1.2
179.17885	1.7
183.11752	1.7
185.13246	1.4
189.11206	2.5
197.07361	1.5
201.16136	1.3
205.15939	1.5
219.13759	1.5
219.17480	2.7
219.21194	1.2
222.30727	1.1
229.19485	1.5
239.17934	2.2
249.25864	2.0
257.19012	2.6
275.20093	24.7
275.27313	3.6
276.20462	1.5
276.23175	2.9
293.03308	2.4
293.07800	2.4
293.10727	2.5
293.20935	7.8
293.25027	1.8
293.28336	41.7
294.24298	1.9
311.04218	3.3
311.11557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.82430	1.2
51.31502	1.2
53.03936	3.0
55.01866	3.8
55.05267	2.4
55.05509	30.9
57.03423	2.1
57.07072	20.1
67.05502	45.7
68.04984	1.3
69.03425	1.9
69.07067	57.0
69.93479	8.3
71.04980	4.7
71.08626	9.0
79.05486	19.3
81.03412	1.8
81.07052	97.6
82.07381	1.9
83.04981	3.1
83.08150	2.4
83.08620	34.9
83.09105	2.0
85.06557	11.7
85.10206	1.6
91.05470	20.7
93.07044	26.8
93.41793	1.3
95.04961	5.4
95.08602	100.0
96.08940	2.0
97.02913	1.6
97.06526	8.3
97.10163	16.3
99.08107	7.8
105.07028	9.2
107.04969	2.5
107.07866	2.7
107.08590	44.2
109.06513	4.0
109.10152	63.7
110.10468	2.0
111.08097	8.7
111.11739	9.3
113.09616	1.7
117.06963	1.8
117.92906	1.3
118.67450	1.3
119.08543	4.5
121.06535	1.8
121.10151	20.2
123.08035	2.5
123.11696	35.3
125.09629	5.2
125.13261	3.2
131.08557	3.3
132.36278	1.4
133.06441	1.7
133.10129	3.7
135.07999	1.8
135.11664	9.5
137.13258	39.6
139.11218	2.3
141.00998	1.9
143.08505	1.7
143.63971	1.5
145.06589	1.6
145.10088	3.7
147.08070	1.9
147.11630	2.8
149.05984	2.5
149.09621	3.6
149.13251	15.7
151.11273	2.0
151.14763	2.6
153.09087	1.9
153.12759	2.0
159.11707	2.4
161.05931	2.0
163.14838	6.4
165.16437	3.4
167.14267	4.5
173.13269	2.0
175.26625	1.4
177.16393	2.0
179.17995	3.2
197.07269	2.1
219.21123	1.9
245.08139	2.0
249.25821	1.7
257.07901	1.7
265.08734	1.7
275.20102	7.8
275.27368	4.3
293.07993	3.8
293.21054	5.0
293.24939	3.1
293.28329	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03946	2.4
55.01855	4.0
55.05505	37.8
56.96564	1.6
57.03417	2.7
57.07072	22.5
65.03926	2.8
67.05502	51.1
69.03421	2.3
69.07064	66.3
69.92789	6.3
71.04978	4.1
71.08646	8.7
75.91126	1.2
77.95801	1.3
79.05060	2.1
79.05482	24.7
80.33349	1.2
81.03410	2.2
81.07051	99.0
83.04968	3.8
83.08611	39.9
85.06525	13.5
85.10156	4.1
91.05479	15.7
93.06476	2.4
93.07039	35.7
95.04975	7.8
95.08600	100.0
96.08936	2.2
97.06509	7.6
97.10155	24.1
99.08105	7.7
105.07023	12.5
107.04938	2.7
107.08584	57.0
109.06481	5.1
109.10149	69.7
111.04498	1.6
111.08071	13.5
111.11716	10.1
116.98611	1.3
117.06995	1.9
119.08556	8.3
121.06480	2.2
121.09329	1.7
121.10142	18.6
123.08028	2.4
123.11694	34.4
125.09643	10.6
125.13254	4.1
131.08551	5.6
131.22647	1.2
133.10120	5.6
135.08052	3.2
135.11685	13.3
137.09636	1.7
137.13263	20.0
139.07378	1.3
139.11159	3.9
145.10114	5.2
147.11681	5.4
149.02403	2.9
149.05922	1.4
149.09596	5.6
149.13249	28.5
151.11115	2.3
151.14772	4.9
153.12697	4.9
157.10188	1.4
159.11617	3.1
161.13231	1.9
163.14789	7.3
165.16400	3.3
167.14378	3.0
177.16335	2.0
179.17931	1.7
185.13283	1.4
189.11140	3.1
193.19624	2.3
219.21120	2.6
239.17882	1.8
249.25735	5.1
257.18869	2.8
275.16614	1.9
275.20059	19.8
275.27255	5.7
293.08115	2.1
293.21161	7.8
293.24957	2.7
293.28348	44.2
294.28629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03933	2.4
55.01856	2.2
55.05507	13.7
57.07069	2.9
65.03918	2.2
67.05504	100.0
69.03431	1.7
69.07068	15.7
69.07420	2.0
69.35077	4.5
69.35500	6.5
71.04971	1.9
71.08628	1.1
79.05494	22.8
81.03405	3.9
81.07054	99.4
83.04967	2.2
83.08619	9.1
85.06525	3.2
91.05484	12.3
93.06478	1.9
93.07040	23.0
95.04962	9.6
95.08603	80.7
97.06506	4.9
97.10142	5.0
98.21531	2.0
99.08101	2.3
102.40247	1.3
105.07026	11.4
107.04941	2.3
107.08593	19.6
107.30043	1.1
109.06514	3.4
109.10162	33.6
111.08051	1.8
113.09693	1.3
117.07038	5.5
119.08573	8.1
121.10130	9.9
122.32013	1.1
123.08067	3.0
123.11707	15.5
125.09632	3.1
131.08577	10.5
133.10129	7.7
135.08070	4.9
135.11671	8.4
137.09579	2.7
137.13254	8.8
139.11130	2.2
139.69365	1.0
139.84717	1.0
145.10120	7.2
147.11668	5.3
149.09615	10.0
149.13205	5.8
151.11154	4.2
151.14806	2.9
153.51425	1.1
159.11690	6.0
161.13228	4.8
163.11192	6.1
163.14790	2.1
165.12611	1.1
165.16327	1.4
173.13234	5.6
177.12727	3.6
177.16429	1.7
179.14262	1.9
187.14748	4.0
191.14317	2.5
203.12825	1.5
209.15419	1.8
219.21149	1.6
225.19238	1.0
229.19287	1.2
239.17796	2.2
243.21037	4.7
247.20758	1.2
257.18997	3.6
261.22202	6.1
275.20029	13.6
290.10172	1.1
293.21048	8.6
293.24713	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01863	2.4
55.05511	18.8
57.03438	1.2
57.07078	12.9
65.03931	5.1
65.11800	0.7
67.05505	23.9
68.99783	1.4
69.03424	2.2
69.07067	35.6
71.04993	2.1
71.08629	5.5
71.11531	0.8
71.58327	1.1
77.03972	0.7
79.05489	12.2
81.03436	1.6
81.07055	61.0
82.07403	1.0
83.04985	1.7
83.08619	20.3
85.06538	7.6
85.10211	1.6
91.05480	100.0
92.05824	2.7
93.07046	18.8
95.04974	2.9
95.08606	52.6
97.06532	5.2
97.10159	13.1
99.04465	0.9
99.05579	0.7
99.08092	4.7
103.05458	3.0
105.03362	1.5
105.07054	6.7
107.04955	0.9
107.08602	25.7
108.08909	0.7
109.02846	1.3
109.06505	2.6
109.10151	34.0
111.08080	6.5
111.11724	5.1
112.28191	0.7
113.09631	1.0
115.05450	1.3
117.07033	2.1
118.04198	2.4
119.04940	4.7
119.08573	4.2
121.02848	1.0
121.06477	1.1
121.10154	13.4
121.11021	1.3
123.08094	1.7
123.11705	24.2
125.09646	5.2
125.13303	2.0
128.06213	0.8
129.07011	2.8
131.04958	1.6
131.08562	2.2
133.10139	3.2
135.04462	0.8
135.08086	0.9
135.11707	5.9
136.48744	0.8
137.09656	1.4
137.13258	18.1
139.11131	1.7
140.01381	0.7
141.06998	1.5
145.10127	2.6
147.04404	1.8
147.11694	2.0
149.02367	2.2
149.09639	1.6
149.13258	12.9
151.11171	0.9
151.14828	2.5
153.12714	1.9
155.08614	0.7
157.06503	1.0
157.10133	1.1
159.04381	1.4
159.11739	1.6
161.02361	2.4
161.05920	0.7
161.13329	0.9
163.11166	1.3
163.14822	3.6
165.06938	1.1
165.16400	2.1
167.03401	9.1
167.14345	4.5
169.10106	1.6
173.13324	1.4
175.03995	1.5
177.16399	1.9
178.07878	0.7
179.08542	1.1
181.01326	2.4
187.03915	2.0
189.11264	1.6
191.08604	2.0
195.07935	1.0
202.02596	1.9
204.04138	1.1
205.04993	6.0
207.08096	1.5
211.07506	0.7
215.03394	4.4
219.08049	1.7
219.21150	1.1
220.03622	1.0
233.04451	18.6
234.04703	1.1
235.07515	1.1
237.09071	1.0
239.17958	1.4
247.07570	1.1
249.25803	1.3
251.07095	0.8
257.19052	2.0
265.08511	5.9
266.09000	0.8
275.20081	9.3
275.22900	1.3
275.27362	1.5
293.08069	27.8
293.11276	1.0
293.21054	2.4
293.24991	1.5
293.28369	17.8
294.08517	3.0
311.09125	6.7
312.09329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03925	8.0
55.01860	6.7
55.05507	51.4
55.43798	4.9
57.07062	6.4
58.60495	4.9
67.05505	74.1
69.07063	84.5
70.21428	9.4
70.21815	11.9
71.04967	5.0
73.30819	4.6
79.05486	80.7
81.03402	14.0
81.07047	52.9
83.04971	12.0
83.08617	32.4
85.06528	6.4
91.05479	54.2
93.07040	58.2
95.04966	65.4
95.08592	44.7
97.06526	18.3
97.09673	3.9
97.10172	38.6
99.03735	4.5
105.07022	46.4
107.04969	24.8
107.08586	100.0
109.06494	15.4
109.10163	24.3
117.07041	11.8
117.97313	4.9
119.08580	27.1
121.10159	36.1
123.11691	5.3
125.09646	30.6
131.08568	14.8
133.10088	34.1
135.08047	26.6
135.11664	5.4
137.09593	10.1
139.11163	14.3
143.08569	6.3
145.10089	23.3
147.11662	15.4
149.09657	25.6
151.11145	22.9
159.11703	11.7
161.13190	8.7
163.11150	5.3
173.13313	7.9
177.12738	6.1
189.11234	7.8
203.12743	12.8
233.67334	5.0
237.14865	19.2
247.20549	5.9
257.18924	12.6
275.20056	98.6
293.08072	5.8
293.21048	56.6
312.23141	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
55.05512	24.6
56.82565	13.6
60.12673	15.0
64.81479	12.2
64.87732	13.4
67.05499	54.2
69.07053	61.7
70.21758	50.0
70.62537	12.7
75.01071	11.2
77.21368	12.3
79.05480	61.3
81.07051	42.1
91.05499	29.3
93.07047	39.7
95.01617	12.1
95.04945	62.2
95.08603	34.5
97.06531	17.2
97.10164	17.8
105.07030	30.7
107.04964	25.6
107.08588	40.4
117.07060	13.9
119.08546	14.4
121.10162	24.3
133.10168	25.4
135.08026	27.0
139.11200	17.3
149.09621	16.0
181.37828	11.6
181.68858	12.1
237.14778	18.7
250.83936	12.7
275.17444	16.7
275.20004	100.0
284.94955	14.4
293.21082	30.2
299.23715	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03938	1.8
54.81155	1.3
55.05507	8.5
56.17679	1.3
57.07076	1.7
62.69694	1.2
63.53659	1.2
65.03928	2.5
67.05501	83.1
69.07056	8.4
69.28871	13.0
71.93533	1.3
77.47331	1.3
79.05486	13.1
81.07052	100.0
83.08623	3.3
85.06544	2.1
91.05481	5.7
93.07047	13.1
95.04981	1.8
95.08602	73.9
97.10168	1.5
105.07040	4.1
107.08578	7.4
109.10150	37.0
117.07032	1.6
119.08575	3.1
121.10136	7.3
123.08103	1.7
123.11695	21.0
131.08562	4.4
133.10130	4.1
135.11688	4.0
137.09618	2.3
137.13246	9.4
145.10110	2.0
147.11707	3.1
149.09587	1.3
149.13297	3.7
151.11201	1.3
151.14836	1.3
158.58827	1.4
159.11682	2.5
161.13324	2.2
163.11165	2.1
163.14893	2.9
165.12816	1.5
165.16418	1.4
173.13284	3.1
177.12767	2.4
177.16376	2.4
178.06374	1.3
187.14867	3.3
191.14403	1.7
203.95497	1.6
242.36594	1.2
243.21074	4.0
261.22131	4.2
278.05740	2.3
293.24710	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.49275	2.7
50.79689	2.3
52.24629	2.5
52.68647	2.6
52.95431	2.2
53.03931	5.4
55.01856	9.0
55.05510	37.6
56.55254	2.4
63.88038	2.4
65.03937	3.7
66.92331	2.6
67.05499	29.1
69.03420	4.9
69.07060	14.0
70.83313	8.6
76.46341	2.4
79.05492	61.6
80.72416	2.7
81.03413	7.7
81.06641	2.7
81.07056	26.6
83.04951	6.4
83.08607	16.0
91.05470	33.1
93.07042	28.7
95.04948	9.9
95.08617	18.9
97.06518	10.1
97.10172	24.5
98.21449	2.8
105.07025	36.9
107.04932	9.7
107.08591	100.0
109.06533	6.8
109.10141	11.1
109.56502	2.5
117.06998	7.5
119.08552	17.9
121.10135	9.7
123.08049	3.8
123.50967	2.9
123.93374	2.8
125.09630	21.6
131.08556	15.0
133.10132	22.8
135.08028	6.0
135.11662	6.8
145.10126	12.8
147.11682	16.6
149.09608	26.7
159.11688	5.9
161.13275	5.0
165.09103	5.5
177.12775	3.5
181.12427	3.5
189.11230	16.9
195.06720	2.7
195.88618	2.8
213.71046	2.8
257.18909	7.8
275.20053	78.0
276.20615	3.4
293.21002	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.66711	3.9
53.03938	6.0
55.01873	15.3
55.05514	32.3
56.96573	7.6
57.03432	5.6
58.36670	3.7
67.05506	48.5
69.07063	35.5
70.87350	13.7
79.05498	76.6
81.07066	60.5
83.04979	10.8
83.08622	17.9
91.05479	45.1
93.07051	41.2
95.04989	19.6
95.08625	34.9
97.06514	20.4
97.10191	19.2
105.07034	47.4
107.04966	16.4
107.08600	88.1
109.06524	14.3
109.10174	12.1
112.44676	3.9
117.07012	9.6
117.66271	4.1
119.08588	35.0
121.06512	3.9
121.10159	18.5
123.08119	7.6
125.09616	19.5
129.54553	4.1
131.08586	16.1
133.10100	19.1
135.08067	8.9
135.11739	8.9
137.09624	7.1
143.08513	5.8
145.10094	22.1
147.11679	12.3
149.09644	21.1
151.11198	10.4
159.11719	11.8
161.13245	5.0
163.11214	9.0
171.11740	5.0
173.13203	6.2
177.12779	4.7
183.11618	4.6
189.11298	12.1
229.19521	8.2
239.17885	10.7
257.19165	14.9
275.20071	100.0
276.20370	5.0
288.12100	4.2
293.21140	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	8.1
55.01856	19.1
55.05506	57.4
57.03430	5.1
57.07079	4.9
65.03909	5.0
67.05497	70.2
69.03409	7.3
69.07066	42.3
69.51981	8.0
69.52393	32.2
71.04979	4.1
79.05482	72.0
81.03423	9.3
81.07046	89.3
83.04969	15.1
83.08616	28.4
85.06515	7.3
87.03276	4.4
91.05474	50.9
93.07031	55.4
95.04980	28.8
95.08598	57.2
97.06513	16.1
97.10153	31.9
105.07016	49.7
107.04932	18.7
107.08593	84.2
109.06501	17.0
109.10157	24.8
111.08080	9.0
113.05998	4.6
117.07002	15.0
119.08578	34.3
121.06494	9.0
121.10138	21.2
123.08047	11.5
123.11673	7.4
125.09601	25.0
129.06966	4.6
131.08545	21.0
133.10118	28.0
135.08006	9.7
135.11671	5.8
137.09598	6.5
139.11208	10.1
145.10146	15.8
147.11707	15.9
149.09590	25.0
151.11195	9.3
159.11690	14.9
161.13260	8.5
163.11163	9.0
165.09140	6.6
165.12769	4.7
171.11621	6.0
173.13293	5.1
177.12823	7.6
189.11226	13.1
239.17998	5.1
257.19022	15.4
275.20029	100.0
275.22800	8.7
293.21054	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	8.8
55.01862	18.9
55.05505	45.4
57.03429	6.2
57.07063	6.9
67.05505	63.2
69.07067	87.2
70.97437	4.6
71.04993	6.8
79.05487	65.5
81.03415	15.3
81.07056	56.7
83.04969	13.1
83.08606	14.2
86.29771	4.4
91.05476	49.2
93.07043	57.3
95.04961	100.0
95.08604	51.5
95.25931	5.7
97.06516	16.3
97.10170	15.9
98.20805	9.7
98.91875	4.2
105.07027	41.8
107.04939	30.2
107.08584	58.2
107.64924	4.3
109.06520	11.5
109.10146	21.4
117.06991	6.1
119.08558	29.8
121.10146	37.0
123.08060	18.2
123.11755	7.7
131.08569	15.9
133.10123	26.5
135.08055	45.1
135.11646	9.5
139.11186	18.7
145.10109	15.9
147.11670	18.0
149.09616	18.2
149.13159	6.2
151.11166	7.0
159.11697	12.7
161.13261	8.5
177.12767	10.2
201.12782	6.6
203.12775	10.1
207.13893	5.2
225.14667	5.8
237.14821	31.8
257.19016	7.5
265.36871	4.8
275.20065	91.3
293.07962	9.4
293.21066	56.3
311.54877	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	5.6
53.84970	4.2
55.01867	9.2
55.05510	57.9
58.77094	4.4
65.03925	6.0
67.05502	61.0
69.03426	6.7
69.07078	32.5
71.04967	6.0
79.05494	100.0
81.03419	8.4
81.07056	60.6
83.04974	7.3
83.08626	24.9
91.05471	52.9
93.07043	76.4
95.04977	28.2
95.08613	47.3
97.06529	15.3
97.09614	4.0
97.10148	24.0
105.07037	38.1
107.04916	14.7
107.08584	97.5
109.06549	9.3
109.10139	25.0
111.08054	4.8
117.07002	10.9
119.08572	31.0
119.09351	4.9
121.10113	38.4
123.11729	9.4
125.09640	21.5
131.08574	16.1
133.10149	26.1
135.11682	32.5
137.09581	9.3
139.11133	5.2
145.10103	17.7
146.08702	5.3
147.11684	15.9
149.09615	24.8
149.13293	11.0
159.11691	11.7
161.13341	7.5
173.13235	9.9
189.11256	16.2
229.30417	4.9
247.20457	7.8
257.19009	9.4
275.20038	74.8
293.21069	56.4
293.63449	4.1
313.00815	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	5.7
55.01868	16.9
55.05515	32.7
67.05506	47.0
69.07066	28.6
69.40656	3.9
70.32829	12.1
71.04979	4.5
79.05493	54.8
81.03410	10.6
81.07067	49.4
83.04970	9.9
83.08611	14.2
91.05481	37.4
93.07060	43.5
95.04960	29.9
95.08616	36.3
97.06519	21.2
97.10182	20.2
98.21335	4.3
99.08093	3.9
105.07031	40.6
107.04959	12.8
107.08600	68.5
109.06553	9.2
109.10150	17.8
111.08092	4.5
115.47141	3.3
117.07011	10.2
119.08593	24.1
119.09342	4.2
121.06566	4.3
121.10159	18.9
123.08081	9.0
125.09637	19.0
131.08560	9.5
133.10165	26.5
135.08064	8.4
135.11713	10.1
137.05992	12.1
137.09628	11.6
145.10118	19.3
147.11691	14.5
149.09639	26.0
149.13252	5.5
151.11218	21.7
155.10660	8.2
157.10181	5.3
159.11694	13.4
161.13179	7.2
163.11192	7.0
165.09180	5.1
173.13301	8.7
175.11211	3.8
177.12715	4.8
189.11223	12.3
229.19492	7.1
237.14970	5.3
239.17960	5.6
247.20656	9.3
257.18979	9.7
261.86078	4.1
275.20053	100.0
276.20227	4.5
293.21158	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.54862	6.6
52.27143	4.7
53.03936	6.5
55.01860	19.0
55.05510	59.5
59.97368	5.1
63.19158	5.4
65.77280	5.1
67.05506	33.8
69.07056	13.2
71.19473	10.3
71.19802	8.9
79.05494	83.3
81.07054	27.0
83.04965	11.5
83.08614	20.9
91.05473	31.0
93.07030	29.3
95.04977	11.1
95.08646	7.4
97.06534	8.0
97.10152	25.7
98.66813	5.9
105.07038	25.0
107.04961	44.2
107.08580	60.1
109.10143	14.5
117.07073	10.0
119.08593	17.2
121.10165	13.3
125.09599	37.0
131.08545	8.4
133.10106	14.2
145.10092	7.6
147.11691	12.4
149.09598	89.6
159.11678	7.1
161.13310	7.7
189.11241	23.1
229.19481	8.7
235.90048	6.8
257.19006	22.3
275.20035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03949	5.9
55.01857	15.6
55.05275	4.2
55.05511	71.5
57.03429	4.6
58.40713	3.7
65.03907	3.9
67.05504	100.0
68.78773	3.9
69.03414	12.4
69.07064	44.4
70.96391	4.8
70.96733	8.1
71.04977	4.4
79.05488	52.5
81.03394	6.1
81.07055	55.0
83.04960	10.1
83.08607	31.2
85.06575	4.1
86.08854	3.9
91.05477	35.0
93.07034	50.9
95.04961	31.9
95.08606	35.4
97.06531	7.3
97.10170	59.0
105.07040	24.5
107.04950	10.6
107.08596	38.5
109.06514	5.2
109.10146	45.4
117.07024	11.9
119.08586	26.9
121.10161	24.2
123.08046	9.0
125.09627	60.2
131.08524	20.2
133.10133	15.5
135.07993	17.6
135.11665	7.3
137.09612	19.3
139.11093	6.4
143.08522	5.7
145.10164	5.5
145.87553	3.4
147.11687	11.1
149.09642	19.5
149.13300	4.5
157.10164	6.5
159.11623	5.7
163.11076	5.8
173.13205	5.6
177.12642	8.1
189.11150	32.6
193.81349	3.7
197.13171	4.7
203.12828	6.9
250.90045	3.5
257.19086	7.1
275.20059	56.7
293.21088	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.88474	4.2
55.01868	7.3
55.05509	25.7
55.18447	4.0
60.54605	4.1
67.05504	30.6
69.07076	38.0
70.21169	15.7
79.05493	65.6
81.07050	32.7
83.04972	12.1
83.08627	5.6
91.05476	32.7
93.07047	41.7
95.04970	20.1
95.08593	29.2
97.06522	10.0
105.07016	40.7
107.04949	61.5
107.08585	38.1
109.06526	9.2
117.06987	10.6
119.08585	32.0
121.10107	26.5
131.08583	12.6
133.10133	32.1
135.08067	38.6
139.11188	14.1
145.10091	9.8
147.11716	13.2
149.09557	9.6
159.11642	5.7
163.11215	5.1
173.13174	5.0
247.20613	10.5
257.19064	8.1
275.20062	100.0
293.20731	13.0
313.10287	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	6.4
55.01871	14.4
55.05508	40.2
57.03431	4.5
58.53319	2.3
67.05503	36.5
69.03430	4.7
69.07056	24.4
71.05000	3.4
71.19035	6.6
72.15504	3.0
78.99850	2.5
79.05493	64.6
81.03419	8.4
81.07048	37.4
83.04976	9.4
83.08608	18.7
91.05477	32.8
93.07049	40.6
95.04967	34.4
95.08606	22.7
97.06522	20.0
97.10155	22.6
105.06373	4.7
105.07022	42.8
107.04948	9.4
107.08591	100.0
109.06526	10.3
109.10139	11.9
115.05362	2.5
117.06997	7.7
119.08575	23.0
119.13180	2.8
121.06534	3.8
121.10122	15.6
123.08057	4.5
123.11675	5.8
125.09635	14.9
129.07043	4.1
131.08569	17.5
133.10100	23.9
135.08051	11.7
135.11732	7.3
137.09601	8.2
139.11186	3.1
143.08592	3.1
145.10121	17.2
147.08017	3.6
147.11679	16.1
149.09610	22.4
151.11188	7.2
157.10107	5.0
159.11710	12.2
161.13260	5.9
163.11171	7.6
165.09116	5.4
173.11766	3.3
173.13194	5.5
187.11183	2.7
189.11259	13.1
215.17853	3.5
229.19449	4.6
237.14883	7.9
239.17905	6.5
247.20508	5.1
254.72336	2.7
257.19034	9.5
275.20044	91.1
293.21085	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01876	9.1
55.05508	33.4
56.96558	4.8
57.03431	9.2
67.05512	32.6
69.07059	17.2
70.12801	9.3
70.13216	16.3
73.80379	4.3
75.99682	4.6
78.31855	3.9
79.05488	60.3
81.07061	37.4
83.04987	6.2
83.08609	9.6
91.05487	37.2
93.07026	38.6
95.04991	10.1
95.08606	20.0
97.06528	12.9
97.10148	22.5
105.07029	44.6
107.04951	5.5
107.08595	100.0
107.34450	5.2
109.06516	12.2
109.10152	15.4
117.07072	4.5
119.08601	25.6
121.10136	10.9
125.09636	19.3
129.07072	4.5
131.08574	16.5
133.10146	21.2
135.08116	4.9
135.11661	5.4
141.00972	4.6
143.08545	5.5
145.10123	17.8
147.11673	16.1
149.09625	9.7
157.10118	7.5
159.11702	11.3
189.11234	8.1
203.14426	6.3
219.17429	16.1
221.15323	7.1
239.18007	7.5
257.19040	14.0
275.20047	90.8
293.21051	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.05507	25.5
57.03418	5.3
67.05511	18.4
67.30390	2.9
69.07053	11.4
69.84296	20.6
79.05491	47.6
81.07056	23.5
83.05003	5.8
83.08623	12.9
91.05469	31.9
93.07043	30.8
95.04983	9.4
95.08611	19.6
97.06527	5.5
97.10184	16.7
98.21493	4.8
101.35059	3.6
105.07040	35.1
107.04905	5.2
107.08601	100.0
109.06536	9.2
109.10162	9.2
117.07056	7.0
119.08579	22.4
121.06534	4.5
121.10155	11.4
125.09642	14.3
129.81680	3.3
131.08572	14.5
133.10124	20.4
145.10129	15.2
146.72983	3.1
147.11674	13.1
149.09624	13.4
153.09146	3.4
159.11697	9.0
161.13277	4.9
173.13324	4.4
185.13330	5.3
189.11255	8.9
189.14706	3.4
213.03502	3.7
219.17532	11.5
221.15343	5.9
227.81337	3.1
239.17989	5.2
252.26640	3.3
257.18994	10.8
275.20062	85.7
275.22791	6.1
293.20926	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01859	4.1
55.05515	19.0
55.23466	2.4
67.05503	37.5
69.07056	25.2
69.90691	17.3
74.78280	2.3
79.05486	30.1
81.07051	40.3
83.04958	7.5
83.08575	6.1
85.06530	2.6
91.05478	21.0
93.06583	2.2
93.07050	25.5
95.04964	11.3
95.08600	21.0
97.06548	3.4
97.10142	9.8
98.20718	2.8
105.07024	34.1
105.31360	2.5
107.04934	9.2
107.08587	22.4
107.21313	2.7
109.06490	8.2
109.10136	12.3
111.08053	3.0
117.06995	7.2
119.08566	16.3
121.06496	9.9
121.10130	8.3
123.08089	6.3
123.11664	3.5
125.09631	5.6
131.08533	15.8
133.06400	3.3
133.10121	19.5
135.08028	5.9
137.09590	3.2
143.08629	2.8
145.10074	14.6
145.21114	2.8
147.11681	14.2
149.09604	6.3
151.11139	8.8
157.10176	3.0
159.08078	3.9
159.11714	8.0
161.09529	2.8
161.13196	4.6
163.11166	3.9
173.13234	3.3
207.13779	2.9
219.13745	4.6
229.19426	4.1
233.87030	2.7
239.17908	5.2
247.20541	3.5
257.19019	17.6
268.32526	2.7
275.20053	100.0
276.20517	2.8
293.21106	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03937	6.0
55.01857	11.4
55.05507	40.5
57.03415	4.9
57.07069	4.1
59.70942	4.0
66.80259	3.8
67.05499	41.5
69.06726	6.1
69.07069	78.4
69.86092	20.0
71.04998	5.1
79.05491	58.4
81.03407	15.4
81.07049	45.4
83.04970	8.0
83.08620	18.6
85.02849	3.9
91.05475	34.1
93.07032	38.4
95.04964	100.0
95.08604	29.9
97.06530	8.5
97.10165	15.1
105.07027	32.1
107.04926	17.5
107.08594	43.2
109.06504	14.1
109.10127	15.1
111.08041	3.7
117.07030	12.3
119.08575	20.0
121.06516	9.0
121.10134	21.0
123.08056	13.4
123.11753	5.9
125.09641	15.2
131.08536	17.5
133.10115	17.7
133.56236	3.8
135.08047	27.3
135.11722	11.5
137.09636	9.8
139.11171	5.9
143.08521	5.9
145.10103	15.1
147.11674	9.3
149.09618	25.7
151.11197	8.9
159.11678	7.5
161.09663	6.2
163.11212	9.1
173.13205	10.8
177.12711	5.5
189.11177	6.9
193.04721	4.2
196.62878	4.1
202.46964	3.7
207.13800	6.8
219.13716	5.3
225.14771	4.2
237.14894	26.5
254.56993	4.0
257.18979	4.3
275.20016	68.9
293.21075	81.6
314.11929	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
55.01847	5.6
55.05507	21.9
57.03437	3.9
57.07070	4.1
64.79433	3.3
65.03942	4.9
67.05496	100.0
69.07063	48.9
71.04953	4.7
71.25371	7.7
79.05492	32.2
81.03407	10.2
81.07050	93.6
83.08626	5.9
91.05478	17.6
93.07044	31.9
95.04964	59.1
95.08599	77.2
97.06508	8.9
97.10180	5.0
99.08144	3.6
105.07004	15.2
107.04932	8.5
107.08585	17.9
107.26065	3.1
109.06525	7.6
109.10154	40.8
110.54063	3.7
111.08044	3.8
117.07024	5.6
119.08576	13.0
121.10138	19.6
123.11685	17.6
131.08537	10.4
133.10126	10.4
135.08029	16.2
135.11682	8.8
136.08684	3.8
137.09625	3.6
137.13226	9.2
139.11205	6.8
141.43025	3.6
145.10118	6.6
147.11626	7.1
147.40939	3.0
149.09645	8.3
149.13252	4.0
159.11690	9.0
161.13239	3.3
173.13293	5.6
177.12738	8.8
207.13759	6.9
229.19662	3.4
237.14853	22.2
244.62538	2.9
251.16638	4.2
261.22189	5.7
275.20029	32.3
293.07971	7.0
293.21072	44.9
293.24771	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.29631	2.2
55.01868	4.8
55.05279	2.6
55.05508	21.1
66.03621	2.4
67.05511	13.7
69.07057	7.3
71.18649	4.7
71.18983	4.1
72.14928	2.5
79.05062	3.8
79.05493	41.2
80.36300	2.2
81.07043	16.1
83.04971	6.1
83.08614	9.9
91.05479	32.5
93.07026	14.6
95.04958	6.6
95.08611	9.2
97.06532	3.8
97.10165	13.8
105.07018	31.6
107.04933	3.7
107.08586	100.0
109.06500	8.5
109.10131	7.8
117.06982	2.9
119.08553	13.1
121.10102	5.5
125.09609	15.5
131.08578	6.1
133.10117	19.9
135.08035	3.1
135.11703	4.4
145.10097	11.9
147.11665	11.5
149.09579	13.5
157.10173	3.3
159.11674	7.4
161.13254	4.1
163.11160	3.5
189.11197	10.3
239.17973	5.3
241.51619	3.0
257.18954	8.9
275.20038	71.9
276.20300	3.6
277.94116	2.5
290.58145	2.6
293.21057	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	4.2
55.01868	6.5
55.05514	28.2
57.03432	10.4
66.81275	3.7
67.05499	23.8
69.03410	4.2
69.07066	18.6
70.32993	15.4
70.48432	3.6
79.05489	47.6
81.07038	25.2
83.08614	17.6
91.05473	46.5
91.50848	3.4
93.07029	27.2
95.04962	12.3
95.08617	19.1
97.06532	6.6
97.10160	18.4
97.13519	3.5
105.07024	42.3
107.04977	7.6
107.08588	100.0
109.06515	10.0
109.10191	8.3
117.07005	5.7
119.06019	3.9
119.08559	25.8
121.10141	15.2
123.63710	3.5
125.09624	15.4
129.24448	4.5
131.08572	12.0
133.10135	22.2
135.08072	5.0
135.11679	4.6
137.09586	3.8
143.08548	4.4
145.10136	10.2
147.11674	15.9
149.09616	18.3
159.11717	12.0
163.11127	9.1
163.42300	3.6
169.10199	4.0
173.13298	4.4
183.11722	4.5
189.11200	10.7
203.14403	4.1
219.17415	10.7
248.69653	4.1
257.19052	7.9
275.17056	2.9
275.20035	77.9
275.22806	6.4
293.08096	7.0
293.21048	10.5
301.78281	3.6
306.18091	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01869	0.7
55.05510	47.1
56.05839	0.8
59.04984	0.5
65.03927	2.2
67.05509	4.0
69.03435	0.7
69.07063	3.2
70.72074	0.9
70.72431	1.3
73.06555	4.2
79.05488	2.3
81.03357	0.6
81.07056	5.6
81.14537	0.5
83.08610	0.8
84.08121	0.4
85.06540	1.0
89.00802	0.6
91.05485	2.2
91.07601	3.5
93.03383	0.5
93.07043	3.2
95.04956	1.3
95.08608	4.8
97.06532	1.9
99.04454	0.9
105.07043	2.4
107.04982	0.7
107.08580	3.5
109.06504	1.5
109.10159	1.7
111.04417	1.0
117.06983	0.8
119.08607	1.6
121.02855	5.0
121.03781	0.6
121.06490	0.6
121.10117	2.2
123.08099	0.8
123.11690	0.9
125.09617	1.0
131.08543	1.1
133.06453	0.5
133.10123	1.1
135.08057	0.8
135.11688	1.2
137.09616	1.1
137.13297	0.9
143.08618	0.5
145.10173	1.1
147.11673	1.1
149.02339	100.0
149.09593	0.8
150.02681	1.6
151.03894	1.1
153.04402	0.7
159.11685	0.7
163.02853	0.5
163.07536	0.5
165.09015	0.6
167.03392	3.0
175.07503	1.8
179.21350	0.4
190.04962	0.9
203.07048	4.8
217.07509	0.7
221.08145	1.1
275.20078	2.7
293.08078	2.0
293.14124	2.2
293.21176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
51.72207	0.4
53.03934	1.3
55.01870	0.6
55.05510	28.7
65.03931	2.7
67.05500	2.0
69.03410	0.6
69.07070	1.3
69.42094	1.1
69.42506	3.0
70.79200	0.4
71.04997	0.7
73.06550	9.8
79.05489	0.9
81.03401	0.8
81.07041	2.3
91.05478	3.5
93.03401	0.7
93.07057	2.2
95.04968	0.5
95.08599	2.4
97.06499	0.7
105.07023	1.5
107.08566	1.6
109.06559	0.7
109.10174	1.4
111.04440	0.6
111.08073	0.5
117.06998	0.8
119.08561	1.1
121.02872	7.7
121.03783	0.9
121.10149	0.9
123.08103	1.0
129.06999	3.3
131.04916	0.6
131.08554	3.1
133.10117	0.9
135.08020	0.7
135.11668	0.7
143.04938	1.3
143.08588	0.9
145.10106	0.8
147.08067	0.8
147.11774	0.7
149.02339	100.0
150.02689	1.3
157.06479	0.7
159.11703	0.7
161.05983	4.3
161.09647	0.5
161.13263	0.5
163.11159	0.6
167.03410	2.0
169.10355	0.5
171.68124	0.4
175.07542	18.8
177.12741	0.5
185.05995	1.0
203.07028	16.9
204.07494	0.5
221.08092	0.8
257.93781	0.4
275.13083	2.2
275.15924	0.6
275.19986	1.0
293.08109	1.1
293.14072	2.2
293.21100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93732	0.4
53.03939	1.7
53.36979	0.4
55.01845	0.8
55.05511	44.8
57.03425	0.4
63.04138	0.4
65.03928	1.9
67.05217	0.4
67.05508	4.2
69.03422	1.0
69.07076	2.8
71.04984	0.9
71.58591	0.6
72.40692	0.4
73.06551	4.9
79.05503	2.4
81.03424	0.9
81.07056	6.5
83.04966	1.0
83.08605	1.3
86.09724	0.5
91.05473	3.0
91.07587	2.8
93.03409	0.7
93.07043	4.0
94.43252	0.5
95.04957	1.5
95.08594	5.3
97.06513	1.0
97.10175	0.5
103.05450	0.5
105.07028	3.2
107.04919	0.8
107.08588	3.2
109.06509	1.4
109.10146	3.6
111.04470	0.9
111.08085	0.8
117.07038	0.8
119.08582	2.5
120.08107	1.0
121.02866	4.3
121.03665	0.5
121.03957	0.4
121.06507	1.3
121.10141	1.8
123.08072	0.9
123.11727	1.0
125.09622	1.2
128.06227	0.6
129.06981	0.8
131.04933	1.3
131.08580	1.9
133.06526	0.6
133.10147	1.4
135.08025	0.7
135.11726	1.1
137.13232	0.7
139.07530	0.7
141.76741	0.5
145.06471	0.7
145.10124	1.5
147.08073	0.6
147.11684	1.3
149.02341	100.0
149.09587	1.1
149.13322	0.6
150.02641	1.8
157.10193	0.4
159.11670	0.7
161.05983	1.5
161.13254	0.6
163.11188	0.4
167.03374	2.9
171.11613	0.6
172.33060	0.5
173.05981	0.9
173.09647	0.6
173.13301	0.8
175.07556	1.6
177.09207	0.6
177.12766	0.5
180.95471	0.4
187.14764	0.5
189.05516	0.5
190.04941	0.5
199.07591	0.5
201.09058	0.6
203.07034	5.8
221.08116	1.5
229.08513	0.6
233.15405	1.1
245.08121	1.7
248.03101	0.4
257.08136	1.8
257.15408	0.5
275.09125	1.3
275.12601	0.5
275.16760	0.5
275.20187	1.0
293.08176	1.6
293.11032	0.5
293.14139	2.3
293.21051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37425	7.7
69.47626	34.8
69.48043	34.2
149.99921	7.4
153.26501	8.9
189.00693	7.7
199.28699	8.0
291.12485	9.0
293.06326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01853	0.6
55.05509	29.6
56.05808	0.4
65.03934	2.1
67.05501	3.0
69.07058	2.0
69.91177	1.8
71.04990	0.5
73.06556	8.0
79.05064	0.3
79.05481	2.2
81.03407	0.5
81.07052	4.1
83.04948	0.4
83.08613	0.6
85.06538	0.5
91.05475	3.8
91.07568	0.4
93.03398	1.2
93.07051	2.6
95.04974	1.0
95.08607	3.5
97.06512	0.6
97.10099	0.5
99.08075	0.4
103.05486	0.4
105.07001	1.8
107.04950	0.4
107.08588	1.6
109.02900	0.4
109.06496	0.6
109.10155	2.4
111.04409	0.8
111.08080	0.4
115.05443	0.5
117.07001	0.6
119.08586	1.8
120.08099	0.7
121.02863	5.9
121.03939	1.0
121.06474	0.4
121.10146	1.4
123.08041	1.4
123.11668	0.7
125.09614	0.7
128.06261	0.6
129.07024	2.6
131.04903	0.6
131.08574	3.4
133.06480	0.3
133.10135	1.1
135.08061	0.7
135.11659	0.7
136.55519	0.3
137.05936	1.3
137.09586	1.2
143.04912	1.3
145.10118	0.9
147.08072	0.7
147.11664	0.3
149.02336	100.0
149.09639	0.7
149.13234	0.5
150.02686	1.1
157.06520	0.6
159.11688	0.7
161.05980	5.3
163.11186	0.3
165.12793	0.5
167.03395	2.4
169.06430	0.5
173.09540	0.3
173.13280	0.8
175.07545	16.3
176.07813	0.4
177.12733	0.3
179.14369	0.4
185.05910	0.9
190.05016	0.5
197.38795	0.4
203.07022	16.7
204.07367	0.4
205.10332	0.4
221.08090	0.4
257.19046	0.4
275.12839	2.1
275.19934	1.8
293.08176	0.8
293.13876	1.5
293.21127	1.8
293.24313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50559	4.6
69.77757	13.7
69.78169	20.4
80.45510	4.9
85.02918	5.7
110.10768	5.7
203.74330	5.2
293.06326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37757	0.2
55.01850	0.7
55.05513	0.5
56.05029	0.4
56.96556	1.3
57.03428	1.1
57.07054	0.6
58.06582	0.3
60.04521	0.4
61.02914	1.1
67.05505	1.9
68.05013	0.7
69.03427	3.3
69.07064	5.2
70.06594	2.9
71.05000	1.6
71.48685	0.4
71.49017	0.4
72.04538	0.3
73.02899	0.5
73.06534	0.3
79.05481	0.5
81.03410	1.3
81.07072	0.4
82.06580	0.4
83.04948	0.3
83.06085	0.3
84.04501	12.7
84.08152	1.3
85.02426	0.5
85.02904	6.6
85.06566	0.6
87.04498	0.5
94.06551	0.4
95.04961	1.1
97.02886	3.3
98.06055	0.6
98.97561	1.7
99.04447	0.6
99.78452	0.3
100.07626	0.6
102.05549	0.7
109.02854	0.8
110.07146	0.7
111.04453	0.3
112.07608	7.6
113.05991	1.1
114.09162	0.3
116.98621	1.3
126.05454	0.5
127.03905	1.0
130.08636	100.0
131.09000	1.1
132.10281	0.3
134.99641	1.0
136.07597	0.4
140.07095	0.6
145.01779	0.4
145.05025	0.6
146.99730	0.4
154.08582	0.7
155.04630	0.5
158.99644	0.4
163.03983	0.4
164.05115	0.5
167.02222	0.3
169.04390	0.4
175.04231	0.3
176.05217	0.8
177.00711	1.6
212.98439	0.4
237.02905	0.6
246.10074	0.3
274.60062	0.3
290.54358	0.3
292.10809	0.3
292.13675	1.5
293.05225	0.3
309.08557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75029	0.4
55.01865	0.7
55.40046	0.5
55.66805	0.6
57.03425	0.7
61.02905	0.6
67.05482	1.2
69.03423	2.1
69.07069	4.0
70.06581	2.1
70.78630	0.5
70.78951	1.0
71.04987	0.5
73.32194	0.5
81.03410	0.9
84.04500	10.2
84.08147	0.8
85.02907	5.0
94.06544	0.9
94.55748	0.5
95.04978	1.2
97.02890	1.5
98.06072	0.7
109.02857	0.6
112.07593	5.8
127.03916	1.4
128.32764	0.5
130.08636	100.0
131.08992	1.2
145.04984	0.5
154.08656	0.7
172.09650	0.6
196.09668	0.5
292.13895	2.0
306.03683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01866	0.6
57.03416	0.5
61.02917	1.0
67.05502	0.8
68.05025	0.6
69.03426	2.7
69.07070	3.6
70.06591	1.8
71.04978	0.7
71.15176	0.5
71.15504	0.4
73.02901	0.4
73.91991	0.3
81.03410	0.9
84.04502	10.7
84.08134	1.1
85.02426	0.5
85.02903	6.2
87.04482	0.4
91.03900	0.3
94.06577	0.6
95.04962	0.6
97.02889	1.5
97.11964	0.3
98.06068	0.6
99.04427	0.5
100.07599	0.7
102.05535	0.4
102.68964	0.3
109.02872	0.9
112.07603	7.3
113.05996	0.6
115.49342	0.3
115.59666	0.3
127.03905	1.0
130.08635	100.0
131.08975	1.1
145.04977	0.9
146.34007	0.3
150.14909	0.3
154.08643	0.6
159.21481	0.3
251.04318	0.3
270.83057	0.3
292.13962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03939	3.0
55.01886	2.6
55.05264	1.9
55.05513	21.4
57.03439	2.3
57.07072	9.6
59.05008	1.2
59.27888	1.2
65.03931	2.1
67.05506	32.9
69.03424	4.1
69.07071	30.2
69.87203	1.0
71.04997	5.6
71.08633	1.0
71.58232	1.7
79.05489	19.5
81.03439	1.9
81.07059	94.3
83.04997	2.5
83.08624	11.3
84.04504	2.4
85.06558	6.8
89.11523	1.0
91.05482	17.3
93.07043	50.7
95.04967	7.6
95.08610	73.7
96.08951	1.3
97.06528	6.2
97.10190	6.0
99.04461	2.3
99.08092	2.9
105.07034	21.2
107.04966	3.0
107.08595	48.5
108.08038	0.9
109.02888	1.1
109.06536	6.4
109.10152	50.0
111.08079	8.9
111.11705	2.6
113.44309	1.1
115.05513	1.4
117.07025	3.2
119.08583	16.4
121.06502	2.1
121.10144	31.7
123.04391	1.3
123.08089	5.9
123.11707	100.0
124.12040	1.1
125.09628	4.6
129.07024	1.8
129.86047	1.0
131.08609	5.2
133.10138	16.4
135.08066	3.3
135.11694	33.8
135.12723	2.0
137.05925	1.3
137.09624	4.7
137.13237	13.4
139.11206	2.6
141.06931	1.2
143.08562	3.6
145.10117	5.8
147.11703	9.7
149.02335	4.1
149.09659	6.5
149.13260	19.3
151.07518	1.5
151.11186	4.2
151.14842	2.6
153.05518	1.1
153.12729	2.2
157.10077	2.3
159.04379	1.1
159.11658	5.4
161.02332	1.2
161.09656	2.8
161.13263	17.8
163.03979	1.3
163.11197	2.6
163.14862	6.8
165.09143	2.9
165.12793	1.5
167.10683	2.9
171.11725	3.7
173.02406	1.8
173.13268	2.9
175.14899	5.9
177.12700	2.2
177.16414	4.4
179.10678	2.0
179.14297	1.2
181.12372	1.4
183.11584	1.3
185.13264	1.3
188.31178	1.1
189.12741	1.9
189.16399	1.6
191.17899	1.0
193.15994	1.1
195.13828	2.1
199.14877	2.5
203.14407	2.3
203.17912	1.1
207.13870	1.6
209.15350	1.5
215.07111	2.3
217.15855	3.4
217.19507	8.8
221.15353	1.5
231.17419	1.5
235.16919	5.3
255.21146	2.3
260.08493	1.8
273.18436	3.8
273.22018	5.8
287.01074	1.2
291.10208	2.2
291.16690	1.6
291.19629	8.1
291.23203	19.1
291.26819	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01869	7.4
55.05514	8.0
55.83348	0.8
57.03428	1.9
65.03924	1.2
66.26573	0.7
67.05173	1.2
67.05503	12.9
69.03442	0.9
69.07064	19.1
70.84480	1.9
71.04990	2.1
74.55994	0.8
77.03943	0.7
79.05487	22.3
80.76194	0.8
81.03413	14.6
81.07047	18.4
83.04977	4.9
83.08611	2.4
85.06526	1.4
91.05463	15.8
93.07039	26.7
95.04963	10.2
95.08603	16.7
95.14998	0.8
97.02894	0.8
97.06522	6.4
97.10135	1.2
99.08105	1.0
105.07028	12.1
107.04948	100.0
107.08585	15.8
108.05311	1.4
109.06516	2.7
109.10139	5.7
111.04436	1.4
116.32596	0.8
117.07006	4.0
119.08574	8.5
121.06494	6.9
121.10133	12.5
123.08076	2.3
128.06244	0.9
129.07025	2.8
131.08543	7.5
133.06499	3.5
133.10120	4.7
133.46716	0.8
135.08029	5.0
135.11678	10.9
137.09634	3.2
139.07549	1.5
139.11156	0.9
143.08537	2.6
143.53680	0.8
145.06503	1.2
145.10139	4.7
147.08041	2.5
147.11665	4.1
149.09613	43.5
149.13214	8.0
150.09995	1.0
155.21071	0.8
157.10100	3.1
159.11714	3.3
161.09644	3.1
161.13249	2.0
163.11172	3.1
163.14806	2.7
165.12787	1.0
171.11650	2.0
175.11166	4.0
175.14774	1.3
177.09087	0.9
177.12770	1.6
185.13257	1.1
187.11093	1.0
189.12677	1.8
193.12296	1.2
203.10678	1.8
207.13779	1.0
209.15480	1.1
213.16385	1.1
221.11708	1.6
227.17982	0.9
235.13252	2.7
245.19032	1.1
255.17412	2.0
259.20581	1.6
273.18451	6.3
291.19550	30.1
291.23145	10.3
292.19794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01874	8.3
55.05508	27.1
57.03436	2.4
57.07078	1.8
65.03918	2.5
67.05505	46.8
69.07064	22.2
69.88422	2.7
69.88822	9.4
71.04987	2.2
73.06547	1.9
79.05491	83.7
81.03412	12.0
81.07055	55.1
83.04991	6.1
83.08610	9.5
85.06533	4.6
91.05477	37.9
93.07045	100.0
95.04970	14.1
95.08606	42.1
97.06525	6.4
97.10167	5.0
105.04527	1.9
105.07027	24.3
107.04952	68.4
107.07869	3.0
107.08589	52.7
107.09305	3.1
109.06510	4.5
109.10153	15.8
111.08088	2.7
115.12435	1.7
117.06995	8.4
119.08582	21.6
120.77254	1.4
121.06526	4.6
121.10137	34.3
123.08043	3.1
123.11719	3.5
125.09647	1.8
127.60096	2.0
128.06201	2.2
129.06989	5.6
131.08574	11.3
133.06522	3.5
133.10114	13.0
135.08063	5.3
135.11685	49.9
137.09627	3.0
143.08575	5.0
145.10069	8.3
147.08043	4.4
147.11694	9.3
149.09627	33.0
149.13269	29.0
157.10130	3.8
159.11679	4.8
161.09595	4.8
161.13248	6.5
163.11172	5.1
163.14845	7.6
171.11748	3.9
173.13304	3.5
175.11140	4.8
175.14816	4.9
177.12753	5.9
185.09575	1.9
185.13261	3.9
189.12737	4.1
199.11122	2.1
203.14340	1.7
213.16425	3.3
217.16013	2.3
231.17426	1.9
241.19444	3.3
259.20630	5.8
273.18442	7.7
291.19592	32.6
291.23193	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03933	7.9
55.01867	6.9
55.05508	25.2
67.05502	46.4
69.03415	2.2
69.07071	27.5
69.48083	1.9
71.19692	4.6
79.05489	78.1
81.03412	10.1
81.06583	3.5
81.07055	57.6
81.82061	1.6
83.04984	6.4
83.08604	11.1
85.06530	4.6
91.05478	38.8
93.07042	100.0
94.07385	2.1
95.04964	16.8
95.08606	41.4
96.85809	1.7
97.06532	6.3
97.10172	6.6
99.08074	2.8
105.04520	2.3
105.07024	26.9
107.04952	76.3
107.08589	56.2
109.06490	6.0
109.10140	15.4
111.04440	2.2
111.08070	3.9
117.07004	7.0
119.08576	18.4
121.06504	6.1
121.10142	40.3
123.08112	2.2
123.11725	3.2
125.09624	3.5
129.06999	5.2
131.08551	12.9
133.06471	3.2
133.10112	17.1
135.08032	6.3
135.11688	52.1
137.09607	4.8
139.11168	2.0
143.08543	4.3
145.10094	9.5
147.08080	4.4
147.11673	11.3
149.09622	35.0
149.13263	33.2
149.14386	3.4
157.10167	5.6
157.16164	2.0
159.11708	6.5
161.09593	2.7
161.13249	8.0
163.11168	5.3
163.14787	11.4
169.08278	1.5
171.11711	6.2
173.13309	3.2
175.11174	4.4
175.14818	4.1
177.12714	3.7
185.13284	3.3
189.12685	3.6
203.14339	1.8
217.15843	2.0
217.19516	2.4
235.13214	2.0
235.89227	1.9
241.19504	5.5
245.18950	2.8
259.20627	4.4
273.18420	9.8
275.22083	1.9
291.19553	30.3
291.23163	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.13225	1.0
53.03937	3.3
54.95932	0.9
55.01875	7.6
55.05518	5.7
65.03917	1.7
67.05503	14.7
69.03435	1.3
69.06719	1.5
69.07065	17.0
69.25314	5.5
69.25743	6.1
71.04985	3.0
75.92575	1.0
79.05057	1.8
79.05489	20.1
81.03418	15.0
81.07049	14.6
83.04972	5.8
83.08604	3.1
85.06541	1.5
91.05475	18.2
93.07038	25.2
93.07630	1.4
95.04965	9.3
95.08598	14.8
97.06516	7.7
97.10156	1.9
101.20809	1.0
105.07034	14.6
106.63643	1.0
107.04950	100.0
107.08597	14.5
109.06516	3.0
109.10165	3.4
117.07032	3.5
119.04964	1.3
119.08566	8.7
121.06502	6.2
121.10148	9.2
123.08083	3.4
125.09602	2.0
129.06990	3.3
131.08542	8.6
133.06519	5.4
133.10106	6.0
135.08087	5.9
135.11693	6.5
137.09621	4.0
139.07568	1.2
139.11180	1.6
143.08545	3.3
145.10124	3.0
147.08038	3.3
147.11664	3.5
149.09615	46.2
149.13225	5.1
157.10115	4.4
159.11717	3.1
161.09616	3.2
163.11205	2.9
163.14821	1.6
171.11705	2.5
173.51537	1.0
175.11198	4.5
175.14784	1.0
177.12758	1.7
187.11156	1.2
189.12801	2.3
199.11055	1.7
203.10693	1.2
221.11723	2.6
235.13185	2.8
236.54044	1.0
240.34770	1.0
245.19086	2.3
249.23625	1.2
249.87181	1.1
255.17415	1.6
273.18494	6.9
279.85834	1.0
290.31384	1.2
291.19540	36.9
291.23111	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03934	1.2
55.01871	2.6
55.05509	10.6
57.03434	0.9
65.03933	0.7
65.39810	0.3
67.05173	0.5
67.05502	6.9
69.03415	1.4
69.07067	3.5
71.04984	0.9
72.64078	0.3
79.05491	9.7
81.03405	1.3
81.07055	7.3
83.04987	1.6
83.08617	4.0
85.06548	0.5
91.05473	7.7
93.07037	5.9
95.04962	4.1
95.08611	3.6
97.06523	0.7
97.10176	3.7
103.05447	0.8
105.07027	8.2
107.04950	7.4
107.08594	3.4
108.05754	0.4
109.06493	1.0
109.10152	1.3
111.08085	0.4
115.05414	0.8
116.06244	0.5
117.07012	3.4
118.04182	0.3
119.04965	2.1
119.08574	6.7
120.05705	0.9
121.06493	3.3
121.10115	1.3
123.08061	1.0
125.09642	2.4
128.06236	0.8
129.07037	1.6
130.07770	1.1
131.08560	3.6
133.06480	5.2
133.10139	1.7
134.07275	1.4
135.08054	2.1
135.11737	0.4
137.09619	0.5
142.07803	0.4
143.08546	1.7
145.06471	0.8
145.10104	3.1
147.08041	3.9
147.11736	0.6
149.09624	3.0
155.08545	0.4
157.10120	1.3
159.08022	0.4
159.11665	1.3
160.27928	0.3
161.09612	1.8
162.10399	1.1
163.11194	1.0
165.09128	0.3
169.10115	0.4
171.11739	0.8
175.11183	1.1
185.13329	0.5
189.11237	0.4
205.12262	0.3
221.15437	0.3
223.13245	1.3
245.19011	0.5
249.14848	1.9
261.14832	1.0
261.17618	0.3
262.15558	0.5
266.24933	0.3
273.18469	3.6
291.19522	100.0
292.19864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03932	4.7
55.01875	20.4
55.05511	26.7
57.03438	17.4
57.07062	4.0
65.03941	2.8
67.05508	41.0
69.03411	7.2
69.07066	20.0
69.26665	2.1
70.64802	2.7
70.65152	6.2
71.04985	7.8
78.08251	2.1
79.05060	4.1
79.05489	53.7
81.03419	12.0
81.07052	63.6
83.04972	10.8
83.08612	9.3
85.06533	6.3
88.07641	3.1
91.05481	48.5
93.07040	41.4
95.04956	27.3
95.08615	23.9
96.74617	2.3
97.06512	9.5
97.10165	9.4
99.04419	2.5
104.15679	2.2
105.03397	2.1
105.07022	39.3
106.23540	2.1
107.00526	2.0
107.04959	26.9
107.08591	28.3
108.16263	2.4
108.29256	2.2
109.06512	44.3
109.10160	12.2
111.08066	5.5
115.05467	2.7
116.06202	2.8
117.07024	24.5
119.08573	39.0
121.06487	19.5
121.10142	12.6
123.04403	3.0
123.08069	14.9
123.11726	2.6
125.09622	10.3
129.06987	9.7
131.08556	24.3
133.06467	8.6
133.10106	15.9
135.08058	49.6
135.11671	5.2
137.09621	5.2
141.06943	3.1
143.08551	7.8
145.10127	24.3
147.08029	21.2
147.11653	9.1
149.09615	21.8
153.09091	3.4
155.46843	2.4
157.10130	16.1
159.08006	3.6
159.11668	11.2
161.09639	18.4
163.11169	7.5
165.09105	4.3
169.10168	3.8
171.11676	8.0
173.13243	4.2
175.11179	7.9
183.11609	2.9
185.13263	4.7
187.10988	2.5
189.11282	2.5
189.12820	3.7
195.48459	2.6
199.14853	6.5
201.12737	2.8
205.08385	2.4
217.15840	12.0
219.13783	4.1
223.13162	4.8
227.17892	3.5
229.23582	8.9
245.19051	4.3
249.14835	7.5
255.17464	7.3
265.08224	2.3
273.18515	46.5
291.19531	100.0
291.27185	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03925	3.1
55.01870	7.8
55.05513	6.4
65.03966	1.4
67.05494	10.7
69.03419	2.0
69.07066	20.5
69.24922	2.1
69.25324	12.5
71.04993	2.4
75.67259	1.1
79.05481	14.6
81.03413	18.1
81.07053	8.8
83.04984	7.7
83.08614	1.3
91.05473	11.2
93.07040	16.0
95.04957	9.8
95.08591	13.3
97.06507	7.4
98.21535	2.4
101.04010	1.0
105.07044	10.9
107.04946	100.0
107.08587	7.4
109.06544	1.6
111.04417	1.8
117.06984	4.3
119.08615	6.1
120.05693	1.2
121.06483	7.0
121.10120	4.0
123.08041	3.1
129.06995	4.0
131.08562	7.4
133.06473	5.6
133.10110	5.1
135.08037	4.5
135.11650	2.2
136.76282	1.1
137.09619	3.8
139.07513	1.6
143.08522	2.2
145.10143	3.6
147.08008	2.3
147.11710	1.5
149.09607	43.5
151.07458	1.6
156.66747	1.2
157.10098	4.4
159.11647	1.8
161.09612	3.3
163.11174	3.2
171.11650	1.8
175.11134	4.7
177.12741	2.6
179.10683	1.6
187.11081	1.4
193.12239	1.5
203.10657	1.7
213.19362	1.3
221.11798	1.8
235.13290	2.7
245.18997	2.0
249.14783	1.4
255.17296	1.3
273.18488	5.3
291.19519	28.9
291.22818	1.6
305.45453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.12878	1.2
53.03931	1.9
55.01875	6.5
55.05511	6.7
57.07071	2.1
67.05498	13.3
69.03426	2.2
69.07068	17.0
70.19667	5.5
79.05483	15.3
81.03410	16.3
81.07047	11.4
83.04957	7.4
83.08607	3.2
91.05480	15.5
93.07044	14.8
95.04963	10.5
95.08615	12.9
97.06548	6.0
105.07039	13.8
107.04951	100.0
107.08587	8.4
109.06539	4.9
109.10150	4.4
111.04471	1.7
111.48666	1.5
117.07027	4.1
119.08564	10.1
121.06496	6.5
121.10144	4.5
123.08086	1.8
128.06255	1.9
129.06984	4.0
131.08578	8.1
133.06506	3.6
133.10115	6.8
134.83124	1.2
135.08041	6.2
135.11699	2.0
137.09621	3.9
141.70518	1.3
143.08571	3.3
145.06410	1.4
145.10139	5.3
147.08060	5.1
147.11703	1.9
149.09625	44.1
149.13246	2.4
157.10117	3.9
159.11673	3.0
161.09653	3.7
163.11201	2.2
165.12854	2.2
171.11745	3.6
175.11209	6.2
177.12779	1.8
189.12900	1.8
199.11095	1.5
205.11967	1.5
235.13321	4.8
273.18478	8.5
291.19559	36.3
291.22998	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	4.9
55.01871	11.8
55.05510	20.4
57.03434	1.7
57.07057	1.6
65.03922	2.2
65.88828	1.3
67.05501	35.3
69.03419	2.5
69.07063	22.2
71.04992	4.0
71.19620	3.4
73.06570	1.4
79.05491	58.5
81.03419	17.8
81.07053	42.5
83.04988	11.2
83.05430	2.1
83.08623	7.5
85.06525	3.2
91.05477	34.8
93.07043	65.1
95.04971	16.9
95.08050	2.6
95.08610	31.4
97.06525	11.0
97.10172	4.2
105.04440	1.8
105.07028	28.7
107.04951	100.0
107.08588	36.6
109.06513	8.5
109.10153	13.0
111.04431	2.2
111.08061	4.3
115.05411	1.8
117.07028	7.8
119.08579	21.9
121.06522	12.5
121.10139	27.2
123.08030	5.4
123.11692	2.1
125.09618	2.0
129.07001	4.9
131.08569	13.7
133.06488	8.6
133.10115	13.9
135.08078	10.5
135.11681	30.9
137.09593	5.5
139.07486	2.2
139.11055	1.5
143.08582	5.4
145.10063	9.2
147.07991	7.7
147.11633	8.9
149.09619	39.6
149.13260	11.3
151.11197	2.4
153.09006	1.6
157.10072	3.4
159.08034	1.7
159.11705	5.2
161.09624	8.8
161.13263	4.6
163.11214	5.3
163.14839	3.7
171.11668	5.2
173.09624	1.9
175.11197	4.3
175.14906	3.0
177.09148	1.4
177.12746	4.4
179.10771	3.2
185.13208	4.0
189.12805	3.1
193.12228	2.2
199.11205	2.3
209.15382	1.6
213.16382	2.3
217.19531	2.5
221.15152	1.7
227.17935	3.0
231.17543	1.9
235.13260	3.1
241.19533	2.4
245.18967	5.9
249.14903	1.5
249.18481	2.3
255.17371	2.8
259.20615	4.0
263.20050	4.0
273.18445	20.6
291.19540	56.1
291.23148	22.5
312.95825	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.5
53.86254	3.4
55.01873	26.4
55.05516	23.9
57.03430	6.5
65.03934	3.3
67.05504	38.4
69.03391	6.2
69.07073	28.8
70.24464	16.3
71.05002	3.6
79.05111	4.3
79.05491	36.8
81.03397	15.9
81.07053	39.4
83.04982	19.6
83.08614	7.6
91.05471	42.8
93.07043	41.8
95.04977	20.3
95.08597	39.4
97.06520	23.9
99.04432	7.4
105.07034	35.1
107.04952	100.0
107.08591	24.2
109.06506	23.5
109.10159	12.4
110.47999	4.3
111.04437	42.0
111.08030	7.5
117.07020	13.5
119.08582	29.0
121.06517	19.8
121.10143	13.8
123.08067	22.0
125.09616	7.5
129.06970	11.5
131.08553	17.1
133.06470	13.4
133.10088	17.8
135.08057	18.5
135.11707	4.9
137.09599	12.0
143.08551	9.0
145.10110	14.2
146.51398	4.2
147.07996	17.4
147.11636	7.4
149.09612	42.8
151.07555	22.8
153.09093	12.0
157.10095	9.8
159.08057	4.5
159.11682	12.8
161.09644	20.5
161.13220	4.6
163.11142	12.0
171.11742	5.5
173.09532	4.4
175.11179	14.2
177.12849	4.9
179.10587	5.2
185.13249	4.7
189.12698	10.1
193.12202	6.2
207.13860	8.2
209.26292	3.7
217.12196	4.3
221.11803	3.6
235.13203	7.7
245.18985	5.5
263.20032	4.6
273.18466	44.4
291.19528	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.98500	1.6
53.03941	4.3
54.84917	2.0
55.01869	10.7
55.05513	21.3
56.96571	2.7
57.03443	10.4
57.05239	2.0
57.07069	3.5
59.04996	4.8
63.75234	1.8
65.03931	2.4
67.05509	24.6
68.24661	1.9
69.03443	2.3
69.07070	12.3
70.71438	7.4
71.04987	5.7
71.79842	1.9
75.00355	2.2
76.27844	1.8
79.05493	31.2
81.03417	7.7
81.07060	30.0
83.04980	7.0
83.08615	12.1
83.29521	2.1
85.06541	6.2
91.05482	28.4
93.07044	30.5
95.04975	18.2
95.08615	27.4
97.06525	8.2
97.10198	3.3
105.07018	26.8
107.04964	51.1
107.08585	22.5
109.06525	38.1
109.10165	6.5
111.04398	3.1
111.08089	41.8
113.09621	2.9
113.61407	2.1
117.07063	10.0
119.04966	2.0
119.08604	22.5
121.06513	12.0
121.10152	10.6
122.07257	3.2
123.08070	42.6
123.11652	2.3
125.02355	1.9
125.09667	3.9
128.06206	3.0
129.07004	5.6
131.08586	17.7
133.06494	6.6
133.10129	11.6
135.08067	30.1
135.11719	3.6
137.09604	4.3
143.08574	7.3
145.10104	12.5
147.08105	9.7
147.11676	9.2
149.09637	24.0
149.13200	2.3
151.07550	100.0
152.11496	2.2
157.10161	8.7
159.11703	4.3
161.09622	9.4
162.33424	2.1
163.11179	6.1
165.09239	3.2
171.11720	7.7
173.09592	2.0
173.13300	5.4
175.11206	7.7
177.09087	4.7
179.10738	4.7
181.09988	2.0
185.13255	5.1
189.12758	26.7
191.14342	8.8
192.11447	5.5
197.11697	12.2
199.11104	2.7
207.13805	67.6
213.16389	3.3
215.14313	3.5
217.12321	3.7
217.15927	7.5
231.17529	2.9
233.15402	24.5
235.13245	2.8
249.18396	2.6
255.17448	4.9
269.10724	6.8
273.18488	23.5
287.11649	4.6
291.19568	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03947	2.7
54.10663	1.8
55.01871	13.6
55.05505	13.4
55.15249	2.2
57.03428	6.6
60.90911	1.8
67.05502	16.7
68.38741	1.7
69.03434	4.9
69.07069	20.1
70.20668	3.6
70.21069	6.6
70.51785	1.7
70.81979	1.7
71.04958	2.3
76.28207	1.9
79.05492	25.0
81.03407	17.4
81.07053	19.0
83.04967	7.1
83.08619	3.5
91.05475	19.9
93.07028	19.7
95.04969	10.4
95.08595	14.9
97.06513	5.7
98.21419	2.5
105.07026	19.6
107.04949	100.0
107.08601	18.1
109.06513	16.9
109.10168	3.4
117.07013	9.4
119.08556	14.4
121.06516	10.7
121.10129	6.3
123.08040	3.6
125.09653	3.0
129.07007	4.2
131.08571	11.7
131.38687	2.0
133.06487	2.7
133.10098	6.9
135.08055	32.7
139.39789	2.4
143.08592	4.4
145.10086	7.5
147.08052	7.3
147.11713	2.4
149.09608	33.5
151.11212	2.5
157.10114	4.8
159.11719	4.0
161.09610	6.9
163.11209	3.9
165.09201	3.2
171.11667	4.2
175.11165	4.5
189.12721	2.8
227.18034	2.8
235.13147	2.8
273.18420	13.7
291.19516	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03928	9.0
55.01883	14.5
55.05511	31.7
57.03425	7.1
65.03923	5.3
67.05504	59.5
69.03401	8.2
69.07061	19.1
69.43575	10.3
69.43997	17.9
71.04990	7.0
72.11504	2.9
77.90189	3.3
79.05490	53.4
81.03394	13.7
81.06647	4.0
81.07057	42.8
83.04973	15.0
83.08585	8.5
91.05479	43.7
93.07037	37.4
95.04971	59.0
95.08607	32.1
97.06520	11.5
97.10175	5.7
105.07050	25.7
107.04954	80.6
107.08598	24.4
109.06497	12.2
109.10153	12.5
111.04433	9.6
111.08093	5.7
117.07022	22.6
119.08579	34.1
119.24125	3.7
121.06489	17.4
121.10134	11.4
123.08063	10.0
125.09593	5.1
128.06242	3.9
129.06987	9.2
131.08565	23.4
133.06451	12.5
133.10120	14.1
135.08052	26.9
135.11665	5.3
137.09631	9.4
143.08554	11.2
145.10117	20.8
147.08067	31.6
147.11678	6.5
149.09605	35.6
152.82178	3.0
157.10106	11.3
159.11696	8.8
161.09621	12.6
163.11160	34.9
165.09068	4.3
169.10133	3.1
171.11647	5.2
172.34862	2.6
173.09621	3.7
173.56912	2.9
175.11227	8.7
184.01999	3.0
185.09645	3.7
187.11156	4.9
223.13261	3.4
235.13271	3.3
245.19077	8.4
249.14897	6.0
255.17590	6.6
263.20023	4.0
273.18542	42.1
291.19531	100.0
300.66428	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	3.6
55.01875	8.0
55.05259	1.4
55.05508	15.9
60.22131	1.0
65.03931	1.9
67.05505	25.7
67.05869	1.6
69.03415	3.6
69.07062	8.8
70.20400	4.6
70.20749	1.7
71.04991	2.9
77.03938	1.1
79.05492	40.6
81.03430	5.2
81.07057	19.9
83.04965	4.4
83.08621	5.4
85.06564	1.3
91.05479	32.9
93.06478	1.6
93.07041	27.0
95.04968	12.8
95.08052	1.9
95.08605	22.6
97.06525	4.0
97.10151	4.1
98.21490	1.5
103.05452	2.1
105.04528	1.4
105.07031	26.2
107.04955	100.0
107.08592	15.9
108.05291	1.2
109.06470	4.1
109.10152	14.0
111.08066	2.8
115.05439	3.2
116.06303	1.2
117.07010	15.0
119.04919	2.5
119.08577	29.2
121.06509	8.5
121.10112	5.4
123.04405	1.5
123.08048	3.1
125.09607	4.1
128.06238	1.8
129.06989	6.3
131.04958	1.0
131.08569	15.9
133.06491	8.2
133.10109	4.3
135.08054	36.9
135.11665	1.3
137.09625	15.7
139.11078	1.3
143.08533	5.9
145.06500	2.3
145.10133	11.9
147.08025	14.8
147.11673	2.4
148.08780	2.2
149.02376	1.3
149.09618	16.3
151.03893	20.9
155.08516	1.8
155.10669	2.5
157.10117	4.7
159.08006	2.6
159.11627	5.8
161.09596	7.9
161.13239	1.5
163.11189	2.9
165.09067	4.3
171.11658	2.4
173.09572	1.1
173.11743	8.3
175.11157	3.3
177.09137	3.1
185.09700	1.3
185.13232	2.1
189.11221	1.6
199.11165	1.5
200.43842	1.0
206.62325	1.1
211.96161	1.0
227.17926	2.5
245.18927	2.2
249.14851	3.4
255.17404	2.9
273.18481	26.8
291.19531	90.2
292.19846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	9.8
55.01869	22.3
55.05501	31.6
57.03426	5.9
59.89400	2.4
65.03921	4.8
67.05502	64.5
67.96904	2.4
69.03426	6.4
69.07064	33.5
70.71143	8.5
71.04996	4.3
71.09302	2.7
78.72916	2.7
79.05489	66.0
81.03413	32.1
81.06583	5.1
81.07050	68.7
83.04990	16.0
83.08614	16.7
91.04916	3.0
91.05476	59.1
93.06480	4.3
93.07044	57.2
95.04966	32.4
95.08598	100.0
97.06533	10.4
97.10143	4.1
97.24896	2.7
105.07022	48.2
107.04949	69.7
107.08593	29.3
109.06509	22.4
109.10155	16.1
111.04448	6.5
111.08094	6.4
115.05446	4.8
117.07005	18.3
119.04948	4.0
119.08572	39.3
121.06497	24.8
121.10117	13.8
123.08064	32.0
123.11701	2.9
125.09650	4.1
128.06186	5.5
129.06992	14.6
131.08563	26.3
133.06499	12.4
133.10132	24.6
135.08037	35.5
135.11667	7.1
137.09587	10.5
139.07503	3.5
143.08568	14.0
145.10101	20.1
147.08035	16.7
147.11676	10.3
149.09618	43.8
149.13231	3.0
151.11198	6.0
155.08687	2.7
157.10094	9.0
159.11694	9.8
161.09608	23.9
161.13292	4.4
163.11093	8.2
165.09132	7.9
171.11646	11.3
173.09717	4.5
175.11162	18.0
177.09087	4.5
177.12715	4.9
185.13147	5.6
187.11241	3.6
189.12741	5.2
197.26910	3.1
199.11125	3.8
203.14201	2.9
217.15816	3.4
245.19035	10.5
255.17503	10.1
263.20184	3.9
273.18512	49.5
282.80756	2.6
291.19543	80.3
291.22842	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03944	6.8
55.01871	19.2
55.05511	27.7
57.03415	5.0
65.95008	3.4
67.05502	42.1
69.03413	4.1
69.07056	21.4
69.40114	11.3
69.40537	16.0
71.05006	4.0
77.34003	2.7
79.05489	57.4
80.40468	2.6
81.03422	17.3
81.07053	68.6
83.04990	13.4
83.08607	10.1
86.17709	2.9
88.07652	4.7
91.05480	43.2
93.07039	33.1
95.04968	26.5
95.08592	26.1
95.86074	2.7
97.06521	11.3
97.10163	9.5
103.05476	4.0
105.03422	3.5
105.07013	24.4
107.04946	100.0
107.08595	24.3
109.06512	20.3
109.10156	10.8
111.04396	4.2
111.08085	3.4
115.05417	3.6
117.07008	34.4
119.04958	4.6
119.08578	47.7
121.06506	26.3
121.10166	13.5
123.08032	6.7
125.09638	10.8
128.06294	6.5
129.07004	12.1
131.08540	18.6
133.06485	10.5
133.10136	8.8
134.28288	3.1
135.08051	22.5
135.11652	5.3
136.38898	2.7
137.09593	8.3
143.08569	9.5
145.10100	25.0
147.08040	25.3
147.11696	3.6
149.09616	50.9
157.10085	8.9
159.08020	5.2
159.11691	10.5
161.09627	14.7
163.11229	9.7
165.09245	3.9
169.09915	2.9
171.11662	5.9
175.11154	5.3
176.42784	2.8
185.13200	3.4
189.11168	5.3
199.11208	4.5
216.70456	2.7
227.17926	5.9
235.13269	3.2
243.25168	7.8
245.19208	4.0
249.14832	18.5
255.17406	6.3
265.33365	3.1
273.18469	52.6
291.19553	86.0
291.27075	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03932	6.5
53.86254	3.4
55.01873	26.4
55.05516	23.9
57.03430	6.5
65.03934	3.3
67.05504	38.4
69.03391	6.2
69.07073	28.8
70.24464	16.3
71.05002	3.6
79.05111	4.3
79.05491	36.8
81.03397	15.9
81.07053	39.4
83.04982	19.6
83.08614	7.6
91.05471	42.8
93.07043	41.8
95.04977	20.3
95.08597	39.4
97.06520	23.9
99.04432	7.4
105.07034	35.1
107.04952	100.0
107.08591	24.2
109.06506	23.5
109.10159	12.4
110.47999	4.3
111.04437	42.0
111.08030	7.5
117.07020	13.5
119.08582	29.0
121.06517	19.8
121.10143	13.8
123.08067	22.0
125.09616	7.5
129.06970	11.5
131.08553	17.1
133.06470	13.4
133.10088	17.8
135.08057	18.5
135.11707	4.9
137.09599	12.0
143.08551	9.0
145.10110	14.2
146.51398	4.2
147.07996	17.4
147.11636	7.4
149.09612	42.8
151.07555	22.8
153.09093	12.0
157.10095	9.8
159.08057	4.5
159.11682	12.8
161.09644	20.5
161.13220	4.6
163.11142	12.0
171.11742	5.5
173.09532	4.4
175.11179	14.2
177.12849	4.9
179.10587	5.2
185.13249	4.7
189.12698	10.1
193.12202	6.2
207.13860	8.2
209.26292	3.7
217.12196	4.3
221.11803	3.6
235.13203	7.7
245.18985	5.5
263.20032	4.6
273.18466	44.4
291.19528	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03935	2.5
55.01628	1.5
55.01871	20.5
55.05511	7.5
56.05029	1.4
57.03437	14.9
57.07074	1.4
58.06599	0.9
61.83257	0.9
65.03925	2.4
67.05502	24.1
67.89520	0.9
69.03434	2.6
69.07075	6.0
69.48492	7.8
71.04975	1.5
74.90720	0.9
79.05493	41.1
81.03431	1.7
81.07049	17.9
82.13657	0.9
83.04989	2.0
83.08617	3.3
83.11550	1.0
85.06522	3.7
88.07643	4.9
89.07953	1.5
91.05476	31.7
93.07042	18.7
94.98978	0.9
95.04961	20.1
95.08596	9.1
97.06525	3.2
97.10197	1.0
98.20719	1.6
102.95312	1.1
103.05460	1.1
105.04470	1.0
105.07021	17.5
107.04950	16.7
107.08588	24.7
109.06515	56.4
109.10162	2.6
109.51369	0.9
111.08053	1.1
115.05449	3.3
116.06291	1.1
117.07026	10.7
119.04905	1.5
119.08572	8.4
121.06489	4.4
121.10128	3.9
123.08026	1.9
128.06227	2.2
129.06990	7.2
131.08559	13.4
133.06490	2.8
133.10112	4.3
135.08047	100.0
135.11658	2.0
137.09601	1.1
142.07745	1.3
143.08549	6.0
145.10118	9.2
147.08006	4.7
147.11665	1.9
149.08475	1.5
149.09579	8.5
149.13271	1.2
157.10104	4.3
159.08034	1.5
159.11679	5.6
161.09642	8.5
161.13223	1.3
163.11191	2.0
169.10123	1.7
171.11697	4.0
173.13246	1.1
175.11205	2.8
177.12784	1.7
183.11632	1.4
185.13283	1.9
199.14825	4.7
201.12810	2.2
217.15869	16.8
219.13713	1.3
223.42622	1.0
227.17815	1.3
243.25060	5.7
245.19078	1.9
248.14270	1.0
255.17538	2.3
273.18481	19.3
291.19528	33.0
291.27161	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03930	1.1
55.01864	2.7
55.05510	8.9
57.03439	0.9
59.04988	0.8
67.05509	7.5
68.22812	0.6
69.03430	1.4
69.07059	4.8
70.71940	1.7
78.04338	0.7
79.05490	9.7
81.03407	2.2
81.07053	8.2
83.04987	1.3
83.08633	2.9
91.05485	9.2
93.07042	8.6
95.04969	4.1
95.08607	5.2
97.06516	1.3
97.10147	2.9
102.93925	0.7
105.07030	7.8
107.04955	13.2
107.08578	5.2
109.06521	1.4
109.10142	1.8
110.62893	0.6
115.05420	1.1
117.07018	2.2
119.04956	1.7
119.08578	5.8
120.05630	0.6
121.06510	2.4
121.10141	2.6
123.08109	0.9
125.09618	1.7
129.06990	2.0
131.08572	3.6
133.06470	4.3
133.10112	2.6
134.07216	0.9
135.08041	2.2
135.11722	1.5
143.08559	2.4
145.06500	0.7
145.10127	3.7
147.08031	4.7
149.09613	5.4
157.10201	1.5
159.11693	1.3
161.09592	2.0
162.10423	1.6
163.11194	0.8
165.09117	0.9
171.11670	1.1
175.11217	1.1
189.12708	0.8
212.61391	0.7
223.13246	0.8
238.83403	0.6
249.14931	2.1
273.18469	3.7
291.19540	100.0
292.19873	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.02357	0.4
53.03925	1.0
55.01865	2.4
55.05506	9.0
56.31052	0.3
57.03414	0.6
65.03918	0.5
67.05502	5.5
69.03438	1.6
69.07059	4.0
70.10081	1.1
71.04972	1.1
79.05484	7.9
81.03407	1.7
81.07054	6.4
83.04966	1.8
83.08610	4.0
84.50315	0.3
85.06512	0.4
91.05470	7.3
91.97188	0.3
93.06484	0.3
93.07044	5.6
94.04169	0.6
95.04960	4.1
95.08598	3.4
97.06506	1.1
97.10169	3.6
98.20772	0.4
99.08102	0.3
103.05453	0.6
105.03404	0.4
105.07022	7.7
107.04951	9.7
107.08589	3.9
108.05747	0.6
109.06514	0.9
109.10142	0.9
115.05440	0.7
116.06263	0.4
117.07001	2.8
119.04938	1.8
119.08574	5.6
120.05692	0.4
121.06511	1.9
121.10145	1.4
123.08031	1.3
125.09613	1.5
128.06212	0.5
129.07011	1.6
130.07774	0.7
131.08543	2.8
133.06494	4.7
133.10118	1.3
134.07262	1.3
135.08057	1.4
137.09663	0.5
141.06964	0.4
142.07788	0.4
143.08554	1.2
145.10098	2.2
147.08035	3.6
147.11678	0.6
149.09605	4.2
157.10097	0.9
159.11656	0.9
161.09569	1.0
162.10365	1.7
163.11157	1.2
165.09117	0.5
171.11685	0.4
175.11157	0.9
185.09631	0.3
189.11124	0.4
189.12660	0.4
221.11765	0.4
223.13202	0.9
245.19080	0.4
249.14821	2.1
250.71141	0.3
261.14969	0.8
273.18484	2.6
291.19522	100.0
292.19897	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40289	9.5
55.01865	36.4
55.05501	26.0
56.96552	17.0
57.03434	21.6
57.18046	8.9
61.02926	18.7
65.05044	9.0
67.05493	21.7
69.03426	46.8
69.07056	30.6
70.06581	11.3
71.04987	100.0
71.57378	15.8
75.26511	8.8
75.82493	8.2
79.05472	27.5
81.03419	30.8
81.07037	22.4
83.04956	9.9
83.08615	48.0
84.04532	13.3
84.08138	12.9
85.02908	87.8
85.06512	13.5
86.09707	20.2
91.05476	27.0
93.07040	28.8
95.04973	37.7
95.08596	17.6
97.02894	28.3
98.98478	13.4
99.23301	8.8
103.03922	10.5
105.07030	16.3
107.04947	33.6
107.08581	15.7
109.06454	12.4
111.08077	60.1
112.02184	52.3
119.08556	11.8
123.08127	11.1
127.03918	25.3
129.09138	100.0
133.10184	11.0
134.99605	11.0
135.07988	10.5
147.04388	17.6
149.09615	16.1
163.03850	21.3
174.13132	12.1
180.78250	10.0
189.05409	9.3
199.29871	10.5
205.53625	9.1
220.40982	10.6
220.51021	11.0
231.02876	12.4
231.06697	12.2
273.12323	28.9
273.18588	14.7
291.13083	18.9
291.19601	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
51.91632	1.0
52.65347	1.2
53.03933	4.0
54.16779	1.0
55.01872	8.7
55.05508	28.3
57.03031	1.4
57.03162	1.0
57.03434	9.4
57.07067	5.5
59.04983	1.4
61.02929	2.4
65.03934	1.8
67.05500	36.6
69.03413	3.5
69.07063	53.5
71.04996	7.6
71.08617	3.0
79.05488	39.0
81.03406	7.4
81.07051	100.0
82.94529	1.4
83.04963	4.5
83.08605	13.7
85.06543	10.6
89.03911	4.5
91.05476	23.9
93.07037	44.3
95.04962	11.2
95.08603	75.0
97.06523	57.4
97.10159	10.0
98.98470	1.5
99.04449	2.3
99.08083	4.4
105.03410	1.6
105.07030	22.4
107.04946	25.5
107.08588	37.2
109.02858	1.6
109.06517	11.4
109.10152	42.0
111.08083	12.8
111.11710	2.3
115.05447	2.7
117.03357	4.8
117.07011	9.4
119.04945	3.2
119.08565	21.4
121.06483	5.6
121.10127	21.3
123.04431	2.3
123.08068	6.1
123.11687	22.3
125.09633	6.9
128.06197	3.0
129.06979	6.5
129.09071	1.2
131.08575	11.7
133.02855	2.8
133.06483	2.6
133.10133	13.0
135.04420	6.9
135.08040	18.5
135.11688	17.4
137.09596	4.8
137.13260	9.3
139.11185	2.6
143.08543	4.1
145.02806	4.5
145.10104	10.7
147.04437	1.8
147.08051	5.6
147.11661	10.1
149.02361	1.5
149.09608	14.4
149.13261	18.0
151.03893	18.9
151.11172	3.0
151.14793	3.0
153.12766	2.8
153.50143	1.1
155.08652	1.8
157.10118	5.5
159.04396	8.1
159.08067	1.5
159.11707	4.9
161.02332	20.9
161.09621	5.1
161.13248	5.4
163.03905	28.5
163.07436	1.3
163.11179	4.7
163.14804	8.3
165.12744	1.6
167.03432	2.4
167.14149	1.5
169.06578	1.2
169.10106	2.1
171.11633	2.1
173.02325	42.7
173.13281	1.8
175.11194	2.2
175.14825	2.7
177.16353	4.1
179.10588	1.4
185.05980	2.0
185.13200	2.6
186.03157	1.3
187.07558	1.4
187.14784	1.5
189.16354	2.4
191.14368	1.2
191.17958	2.1
195.11734	1.8
199.14749	1.9
201.09146	1.2
203.14409	1.7
203.18016	2.6
212.45482	1.4
215.07010	52.4
217.15880	6.5
217.19464	2.0
227.17943	1.4
231.08145	2.1
231.13890	1.4
241.08487	2.9
245.19064	1.8
248.08281	2.0
255.17433	3.2
259.09729	3.2
260.08389	1.8
273.11716	1.4
273.15170	2.4
273.18481	13.0
273.21472	1.7
273.25806	3.5
276.07669	1.8
291.09833	2.0
291.12759	2.0
291.16125	2.8
291.19504	32.8
291.23053	6.0
291.26611	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
53.03950	1.9
55.01877	1.2
67.05496	3.8
68.99781	1.9
69.03445	1.3
69.07069	1.5
69.80666	4.2
69.81096	3.6
71.04985	2.1
76.74548	1.0
79.05495	3.0
81.07049	4.2
83.08611	1.5
84.04494	1.3
85.02899	1.7
87.00814	2.6
88.03996	1.8
91.05483	3.0
93.07035	3.5
94.36267	1.1
95.04961	3.4
95.08604	2.8
97.06538	1.5
105.07047	3.0
107.08572	2.2
109.10169	2.4
111.04458	1.2
115.05433	7.2
117.05774	2.4
117.07018	2.9
118.06550	14.0
119.08583	3.3
121.10164	2.0
123.04482	2.6
123.11622	1.5
123.18047	1.0
124.07610	1.4
129.07022	2.3
130.06526	100.0
131.06882	1.1
131.08569	3.5
132.08092	46.4
142.06520	15.2
142.07518	1.8
143.07344	3.1
143.08499	2.0
144.08047	6.4
145.10126	2.5
146.06023	20.3
147.11525	1.3
149.02304	4.4
149.09531	1.7
151.03909	54.8
153.12697	2.4
156.08101	5.0
157.07654	6.5
157.08719	1.2
157.10083	2.1
158.05995	3.8
158.08377	4.8
159.09178	99.8
160.07579	8.4
167.03410	7.8
167.06015	2.9
169.03860	1.8
169.07619	3.5
170.06009	39.7
172.03998	1.3
172.07657	1.7
177.09314	1.9
181.07570	1.9
183.09138	6.2
184.07582	20.0
185.07095	46.4
187.08687	4.4
188.07062	44.5
199.08693	2.7
200.07056	9.2
201.10214	14.4
209.07120	2.1
217.08672	1.5
227.08151	49.6
229.09657	2.5
231.07701	4.0
233.15376	2.3
243.11198	2.3
245.09210	62.7
254.66638	1.4
255.07597	3.1
273.08667	3.4
273.12244	2.4
273.15012	2.7
273.18509	2.7
291.09695	1.8
291.13272	3.9
291.16107	2.9
291.19669	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.0
60.04519	6.9
69.03420	15.6
69.89923	12.0
69.90337	29.1
70.06608	10.4
81.03394	7.7
82.06568	11.1
84.04514	11.8
85.02902	16.1
86.09695	7.5
94.21778	7.0
96.08112	7.2
97.02888	15.8
98.20848	11.5
99.54012	5.5
102.27134	6.4
110.09682	13.8
115.02453	6.0
119.01938	14.8
120.02054	14.4
124.98673	6.2
127.03865	12.1
128.04564	6.3
128.07040	19.4
128.10710	100.0
130.62857	6.2
138.03094	8.4
143.01964	7.9
149.79298	6.8
162.03178	11.3
186.54915	6.7
290.06476	11.0
290.12338	17.1
290.15546	6.7
291.10513	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03250	3.0
53.15153	3.3
55.05505	4.9
56.05030	4.9
56.96560	50.0
58.06592	7.1
59.92503	4.0
67.05506	8.0
69.03413	14.8
69.07050	6.2
70.06581	8.5
70.82561	8.4
70.82899	3.7
71.04980	5.3
73.02932	4.4
78.75816	3.4
79.69205	3.1
81.03393	4.8
81.07047	8.7
84.04499	8.8
84.08130	6.1
84.96043	8.9
85.02909	20.0
95.04993	4.4
95.08588	5.7
97.02898	11.3
98.57075	3.4
98.97580	100.0
99.04449	4.1
107.04950	4.8
109.06519	3.5
110.07127	7.1
110.97565	5.2
111.04417	5.1
113.06029	4.1
116.98622	86.2
121.31904	3.9
125.68145	3.6
128.98610	17.7
129.05528	6.8
129.06578	7.6
130.08647	44.2
134.99669	64.9
135.04448	3.9
143.00150	5.5
146.99661	24.4
147.04417	6.1
153.00656	8.6
155.04645	4.0
158.99652	19.3
161.01207	11.5
162.99161	4.2
163.03908	7.3
165.00694	4.3
165.04390	9.8
170.99644	5.5
176.05179	3.8
177.00705	58.1
189.00722	5.1
189.04314	14.3
195.01753	4.4
200.02260	6.0
207.05414	9.6
219.01851	9.0
237.02797	38.0
255.03885	4.5
291.07928	21.4
291.11084	6.1
291.19601	9.0
309.05347	6.5
309.08459	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35443	1.3
52.07705	1.3
55.05260	2.7
55.05504	27.3
59.04989	2.4
61.98551	1.3
67.05506	18.5
69.03391	1.4
69.07056	9.9
69.96661	4.9
69.97081	3.7
71.04996	1.6
79.05485	20.2
81.03445	1.4
81.07048	20.5
83.04971	2.9
83.08597	11.3
85.06535	2.1
91.05476	49.5
93.07035	15.7
95.04937	4.0
95.08604	11.4
97.10154	11.1
98.21508	1.9
103.05467	3.2
105.07021	100.0
107.04935	2.5
107.08575	11.7
109.06502	2.5
109.10136	3.6
117.07009	15.7
118.14816	1.4
119.08568	38.9
121.06520	1.6
121.10139	2.8
125.09622	4.4
127.38581	1.6
128.06223	1.7
129.06972	3.1
131.08560	18.7
133.06505	1.6
133.10120	47.9
134.10481	2.0
135.08069	3.3
135.11670	2.5
143.08543	5.5
145.06467	2.4
145.10115	50.0
147.08046	1.9
147.10492	3.2
147.11673	63.1
155.08540	2.0
157.10146	4.7
159.08032	4.0
159.11667	9.7
160.12527	1.5
161.09613	2.9
161.13245	5.3
169.10120	2.4
171.11668	8.2
173.09697	1.9
173.13268	5.3
183.11710	4.3
185.13255	2.1
193.19879	1.5
197.13248	4.7
239.17903	8.0
257.18991	36.7
261.18481	1.6
271.16809	2.9
289.17996	20.2
289.21594	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01867	2.8
55.05261	2.1
55.05511	22.7
57.03424	2.4
59.04979	2.7
67.05503	18.0
69.03418	1.6
69.07069	10.6
70.83372	2.4
70.83739	2.8
71.05005	1.6
73.06550	1.9
79.05492	16.2
81.07050	24.6
83.04976	3.6
83.08611	8.7
84.94164	1.2
85.06550	2.2
91.05477	52.9
93.07034	16.3
95.04983	2.5
95.08605	9.5
97.06509	1.7
97.10175	9.1
98.25397	1.2
103.05444	3.0
105.07025	100.0
106.07346	2.9
107.08595	9.8
109.06517	2.8
109.10172	4.0
111.08060	1.6
115.05466	2.4
117.07005	11.4
119.08575	45.3
120.08993	1.7
121.06514	2.3
121.10164	5.0
123.08056	2.4
125.09636	5.9
129.07016	3.5
131.08569	17.5
132.09435	1.7
133.09116	2.7
133.10124	53.3
135.08093	2.4
135.11647	3.6
141.06970	2.1
143.08551	5.9
145.06514	1.6
145.10112	43.0
146.10608	1.4
147.08032	2.9
147.10497	2.8
147.11681	55.2
148.11923	2.1
149.09677	1.7
155.08577	2.1
157.10118	4.8
159.08070	3.7
159.11697	10.2
161.13243	5.3
163.07449	1.8
169.10172	2.1
171.11693	7.8
173.13281	4.0
175.07507	1.3
175.11234	1.6
183.11732	4.6
185.13245	1.7
185.25737	1.4
191.86636	1.4
195.10657	1.2
197.13275	4.7
215.17899	1.7
239.17938	9.9
257.18997	36.1
271.16953	1.3
289.18030	17.0
289.21619	57.4
290.21906	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2159
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03923	2.6
55.01863	3.4
55.05270	2.5
55.05510	32.4
63.41387	2.1
65.03944	2.1
67.05499	26.9
69.03385	2.8
69.07069	19.7
69.93233	2.7
69.93646	9.9
70.08569	1.8
79.05064	2.5
79.05485	28.0
81.07053	38.4
83.04956	3.4
83.08609	12.7
85.06521	5.3
91.05476	60.5
93.06489	2.4
93.07039	28.6
95.04934	6.0
95.08601	21.8
97.06516	3.4
97.10162	5.1
99.08150	2.0
103.05436	4.6
105.07025	95.8
107.04916	7.2
107.08588	24.0
109.06490	6.2
109.10165	9.8
117.07003	19.3
119.08571	77.4
121.06509	14.8
121.10160	10.4
123.08012	4.6
129.06984	5.0
131.08563	22.5
133.10126	43.3
135.07999	8.9
135.11720	3.9
141.06902	3.0
143.08577	4.2
145.10114	36.1
147.07959	2.9
147.11682	41.0
149.09612	3.5
157.10114	8.6
159.11693	31.0
161.09666	3.6
161.13258	17.1
163.11150	6.8
169.10094	6.8
171.11642	5.6
173.09453	2.3
173.13235	15.9
175.11122	3.8
175.14787	3.6
177.12703	9.3
183.11655	4.8
185.13289	2.7
187.11134	2.3
189.12764	2.3
197.13260	5.6
201.12659	2.1
211.14687	2.5
215.17979	3.8
229.15773	2.5
239.17897	12.2
257.18973	20.6
257.60873	2.4
261.22101	7.8
271.20602	4.6
289.18051	11.4
289.21570	100.0
290.21899	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	Estriol
Peak:m/z	Relative Intensity
51.02376	3.6
53.03932	12.4
55.01861	14.1
55.05510	43.4
57.03436	20.4
59.04967	4.0
65.03912	4.3
67.05172	5.2
67.05505	71.9
69.03408	10.0
69.07056	21.8
71.04987	6.6
74.84772	2.9
79.05495	46.3
81.03421	14.9
81.07050	40.5
83.04980	41.1
83.08624	18.5
85.84925	3.1
91.05474	77.9
93.06477	5.3
93.07041	91.9
95.04981	40.4
95.08618	26.2
97.06504	7.1
97.10145	3.7
98.20738	7.9
99.08107	2.8
103.05479	18.4
105.04516	4.8
105.07038	48.6
107.04963	21.5
107.08592	20.5
109.06556	15.0
109.10150	34.8
111.08080	8.6
115.05463	8.5
117.07008	25.2
119.04899	6.3
119.08568	32.2
119.79788	2.8
121.02866	10.2
121.06506	73.4
121.10130	16.3
123.08052	7.2
125.09573	4.8
128.06178	3.6
129.06996	16.2
131.04919	4.8
131.08565	35.4
133.06491	23.2
133.10094	18.1
135.08046	46.3
135.47513	3.0
137.09644	5.7
141.06941	7.0
142.07831	3.9
143.08527	10.0
144.05727	5.8
145.06474	17.0
145.10123	17.6
147.08044	20.7
149.05977	10.5
149.09608	21.5
155.08549	9.4
157.10124	7.4
159.08047	24.3
159.11707	9.5
161.09618	22.2
163.07561	27.1
163.11089	3.8
165.09100	4.6
169.10132	10.9
171.11737	6.4
173.09607	15.9
173.11719	9.0
175.11185	6.6
176.12041	2.9
177.09113	12.5
179.10718	3.2
183.11668	4.8
187.11208	7.5
189.12769	5.0
191.10666	6.3
197.13219	4.1
199.11037	4.1
209.25441	3.2
215.14363	6.5
217.12102	3.8
217.64000	3.1
225.16370	5.1
233.15324	5.0
243.17393	17.6
247.17133	4.2
253.15855	8.9
261.18542	4.4
271.16901	25.5
289.17990	100.0
296.62384	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1795
Annotation	Estriol
Peak:m/z	Relative Intensity
52.76017	1.5
55.01866	7.8
55.05503	32.7
56.90086	1.6
57.03426	24.5
57.07049	1.6
57.22580	1.6
58.24028	1.5
63.82578	1.5
64.95744	1.3
65.03912	3.3
67.05495	24.6
69.03420	2.3
69.07058	8.8
69.38950	6.6
69.39384	7.5
71.00328	1.3
71.04967	2.9
79.05053	2.7
79.05480	28.9
81.03403	5.8
81.07042	27.3
83.04982	4.1
83.08614	10.8
84.04498	13.8
85.02876	2.1
85.06519	3.6
91.05470	34.7
93.07034	15.5
95.04949	6.8
95.08608	13.5
97.06496	3.5
97.10152	7.0
98.21538	2.8
103.05436	2.2
103.36888	1.4
105.07021	24.8
107.04935	12.0
107.08586	13.2
109.06515	17.5
109.10143	7.8
115.05447	3.3
117.07007	15.1
119.08570	20.4
121.06483	18.5
121.10113	4.8
123.04434	3.7
123.08018	3.7
123.11723	2.3
125.09621	4.0
125.29843	1.6
126.05460	1.8
128.06181	4.3
129.06985	11.5
131.04942	2.8
131.08539	15.1
133.06476	7.6
133.10104	6.4
135.08041	21.6
137.09618	5.2
141.06966	5.2
142.07813	2.0
143.08533	9.2
144.05670	3.2
145.06458	5.8
145.10071	7.6
147.08017	20.5
147.11700	4.4
149.09624	3.9
149.13251	2.0
155.08510	3.8
156.09319	1.6
157.10077	4.7
159.08037	99.5
159.11626	3.6
160.08807	2.4
161.09581	14.9
161.13252	3.2
163.07527	7.8
163.11147	2.3
169.10114	5.2
171.11670	4.8
173.09624	9.4
173.11800	1.7
173.13171	2.3
175.07576	3.1
175.11140	3.8
177.09106	3.4
183.11674	2.8
185.09631	13.9
187.11172	3.8
187.14677	1.9
189.09009	1.7
189.12755	2.5
191.10609	2.2
193.10139	2.1
193.12253	2.2
197.09598	2.9
197.13179	3.6
199.11209	4.8
201.12688	2.1
211.11171	5.5
215.14307	7.1
217.12144	3.1
225.16287	4.3
233.15317	4.9
235.14671	1.8
243.17438	7.7
253.15871	21.3
261.18445	4.1
271.16888	23.6
289.17938	100.0
289.25003	3.4
290.18240	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1796
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03952	12.0
55.01875	12.1
55.05276	2.6
55.05513	40.5
57.03432	21.3
59.04983	2.0
65.03918	5.1
67.05502	66.3
69.03410	8.5
69.07067	16.1
70.64506	4.6
70.64900	3.9
71.04968	3.6
74.51615	1.6
79.05071	3.4
79.05493	47.7
81.03404	10.3
81.07055	46.7
83.04977	37.4
83.08601	23.0
85.06522	3.9
86.39898	2.0
89.75098	1.9
91.05477	74.6
93.07041	77.6
95.04967	39.7
95.08607	26.4
97.06521	4.7
97.10158	4.9
99.04485	2.0
103.05474	13.8
105.03380	2.2
105.07025	49.4
107.04958	16.3
107.08591	20.9
109.06519	13.0
109.10151	26.9
111.08087	6.7
115.05450	8.0
117.07016	22.6
118.56664	1.9
119.04966	3.2
119.07802	2.6
119.08581	31.3
121.02869	3.1
121.06495	65.3
121.10093	12.2
123.08048	8.0
125.09574	2.9
128.06194	8.0
129.07002	14.8
130.07738	2.6
131.04921	7.0
131.08560	34.1
132.05702	3.8
133.06471	24.0
133.10121	15.0
135.04427	2.5
135.07104	3.5
135.08041	41.1
137.09596	10.8
139.07481	2.3
141.07010	5.5
142.07713	3.4
143.08524	8.2
144.05717	3.0
145.06458	12.1
145.10109	13.1
146.07245	2.6
147.08043	19.6
147.11716	4.4
149.05952	11.1
149.09587	17.7
151.07495	2.4
154.07658	2.0
155.08554	6.3
157.10124	7.3
159.08057	30.4
159.11646	6.3
161.09613	21.4
161.13225	2.2
163.07544	24.3
163.11119	3.1
165.09077	4.2
167.08479	1.9
167.10661	3.9
169.10092	7.5
171.11688	4.7
173.09602	18.6
173.11690	6.7
173.13182	3.1
175.11208	7.1
177.09067	11.0
177.12717	2.2
179.69684	1.9
183.11684	5.0
187.11247	10.1
189.12750	4.0
191.10675	4.8
193.12215	2.1
197.13141	4.4
199.11191	3.6
203.10602	2.5
205.12331	2.2
207.11737	2.1
211.11298	2.8
211.14699	4.1
215.14253	6.3
217.12213	5.4
225.16386	6.6
233.15356	4.5
243.17378	16.3
247.16951	3.0
253.15869	8.8
261.18436	9.3
265.32300	2.5
271.16922	28.4
289.17975	100.0
289.21295	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1797
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03919	3.0
55.01879	8.0
55.02113	1.5
55.05507	9.6
57.03435	33.4
57.07077	1.8
61.83685	1.4
65.03947	1.7
67.05503	16.8
69.03414	2.7
69.07061	5.9
70.30735	7.1
71.05015	3.0
79.05491	20.1
81.03419	12.4
81.07063	16.1
83.04980	2.5
83.08622	4.3
84.04506	2.5
85.06537	5.4
91.05476	31.9
93.07044	14.0
95.04967	20.1
95.08594	12.0
97.06553	4.7
97.10142	1.9
103.94150	1.5
105.07030	27.1
107.04951	100.0
107.08594	11.5
108.05266	2.8
109.06516	18.8
109.10172	4.8
111.08075	2.1
113.06030	11.6
115.05446	3.5
117.07028	10.5
119.04937	4.4
119.06085	1.4
119.08575	17.2
121.06519	15.4
121.10162	5.8
123.08067	6.9
123.11678	2.0
128.06209	5.1
129.06998	4.7
131.04878	1.7
131.08574	9.1
131.10991	1.7
133.06479	13.4
133.10146	7.3
135.04454	2.5
135.08061	16.4
137.05965	2.3
137.09651	4.1
141.07008	2.7
143.08548	6.4
144.05690	1.7
145.06458	7.9
145.10103	9.1
145.13393	1.7
147.08055	14.7
147.11708	4.1
149.05959	6.0
149.09608	5.7
151.03915	1.8
151.07533	3.0
153.01825	3.2
155.08517	2.4
156.09349	1.9
157.10114	4.6
159.08006	12.0
159.11734	5.1
161.09604	8.3
161.13153	1.9
163.07515	14.9
164.07097	3.8
165.09116	7.6
169.10126	4.9
171.11719	6.0
173.09608	6.4
173.13210	2.1
175.07428	1.8
175.11156	4.8
177.09105	3.7
179.10774	2.2
185.09700	2.2
187.11179	2.5
189.12752	5.8
191.10681	12.7
199.11215	5.4
202.52179	2.2
205.12312	2.1
215.14259	4.1
217.12236	14.5
225.16330	3.9
233.15321	8.0
243.17471	3.2
253.15736	2.7
261.18451	3.1
271.17032	11.6
289.06366	3.4
289.15314	1.9
289.18008	48.1
289.25238	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1796
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
51.02384	2.9
53.03947	5.2
54.79086	2.3
54.98143	2.2
55.01866	9.4
55.05512	33.4
56.05008	3.2
57.03431	15.9
57.07074	3.3
59.05013	2.6
59.06126	3.3
60.10130	2.3
65.03934	4.5
67.05177	3.3
67.05508	43.7
68.62352	2.3
69.03429	6.7
69.07072	16.6
69.31837	9.1
69.32260	13.9
71.04988	3.9
75.05616	3.5
79.05497	35.3
81.03411	7.5
81.07059	38.2
83.04980	26.0
83.08613	14.6
85.06509	3.6
88.07637	5.0
89.07162	8.3
91.04905	3.7
91.05483	68.2
93.07047	38.8
95.04974	18.6
95.08620	21.1
97.06531	4.9
97.10162	7.8
103.05466	2.6
105.07034	58.3
107.04961	27.9
107.08605	20.9
109.06519	11.0
109.10179	13.2
111.08070	5.6
115.05446	6.8
116.06244	4.1
117.07019	26.1
119.04935	4.3
119.08594	52.4
121.02853	2.7
121.06522	33.1
121.09794	14.6
123.04407	3.0
123.08076	5.4
125.09626	4.4
128.06271	7.1
129.06999	9.8
131.04877	3.1
131.08574	34.6
132.05713	3.1
133.06461	18.9
133.10130	27.6
135.04488	4.1
135.08063	29.9
135.11775	3.1
137.05852	2.5
137.09618	6.2
141.06989	6.2
142.07806	3.0
143.08557	11.7
144.05788	2.6
145.06497	15.0
145.10149	19.7
146.07343	3.5
146.26538	2.4
147.08044	22.2
147.11671	16.5
149.06006	6.1
149.09645	7.5
151.07585	3.9
155.08540	7.1
157.10173	8.2
159.08061	51.9
159.09259	4.6
159.11705	8.9
161.09622	19.3
161.13226	3.7
163.07552	8.9
163.11171	2.9
169.10123	6.9
171.11707	6.5
173.09602	14.5
173.11836	3.7
174.06816	4.2
175.07594	4.2
175.11154	4.9
177.09111	10.7
183.11702	5.5
185.09668	4.8
187.11211	7.8
189.12758	2.6
191.10722	6.2
197.09579	2.6
197.13300	3.7
201.12669	3.5
206.82863	2.6
211.14877	4.2
213.23218	3.6
215.17789	2.5
217.12379	3.5
225.16412	5.9
229.16069	2.5
233.15456	2.6
239.17705	2.8
242.24731	4.9
243.17468	9.2
253.15895	8.3
257.19052	8.5
261.18564	6.1
271.17017	26.4
284.14182	4.7
289.18008	100.0
289.21588	24.1
289.25446	4.7
289.28497	29.9
309.99118	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03943	6.3
55.01871	13.9
55.05509	31.6
56.75267	2.2
57.03438	37.9
61.38292	2.2
63.23307	2.1
65.03944	4.6
67.05503	47.9
69.03412	5.1
69.07059	8.9
70.01296	4.1
70.01706	6.8
71.04990	2.5
71.76028	2.3
79.05489	43.2
81.03406	6.0
81.07056	48.2
83.04984	58.1
83.08609	7.7
85.06537	4.3
88.07608	2.9
91.05482	62.6
93.07044	42.3
95.04959	20.4
95.08608	26.6
97.06522	7.0
99.04460	15.3
103.05486	3.1
105.03407	2.8
105.07030	56.5
107.04948	31.9
107.08591	18.8
109.06536	25.8
109.10140	7.6
111.04435	22.8
111.08086	5.0
115.05447	5.3
117.07016	23.6
119.04963	2.8
119.08588	33.6
121.06511	10.3
121.10154	9.7
123.04417	3.7
123.08047	7.0
123.11687	3.3
125.05996	12.7
128.06244	6.9
129.07005	13.7
131.04932	3.6
131.08571	27.2
133.06485	19.9
133.10120	20.8
135.08063	17.8
135.11711	6.8
137.05983	6.1
137.09650	2.9
139.07518	2.3
141.07018	6.7
143.08553	8.3
145.06535	10.9
145.10114	18.4
147.08037	20.9
147.11684	10.7
149.05968	8.4
149.09637	7.9
149.13231	2.8
151.07535	7.2
151.11310	2.2
155.08569	7.8
157.10129	9.6
159.08041	22.6
159.11707	14.1
161.05940	3.9
161.09593	19.9
161.13245	4.8
163.07520	5.2
163.11255	10.7
165.09114	3.1
169.10144	6.6
171.11737	7.3
173.09666	6.1
173.13234	4.6
175.07565	2.4
175.11234	8.3
177.09099	4.1
177.12764	14.4
181.10274	3.0
183.11668	4.8
187.11218	6.8
187.14824	4.6
189.12625	2.6
197.13341	3.1
205.15839	8.1
211.11218	2.6
211.14859	2.9
215.14333	9.4
225.16556	2.7
233.15373	26.0
243.17496	8.5
253.15964	4.7
261.18503	30.6
271.16934	16.4
289.18011	100.0
289.21582	12.3
289.29251	5.8
291.40964	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1797
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03942	6.4
55.01871	16.3
55.05508	40.5
57.03434	38.7
58.31730	2.1
59.04980	3.1
60.87390	2.0
65.03933	6.6
67.05499	50.9
69.03432	5.0
69.07057	17.3
69.79034	6.4
69.79447	7.5
71.04972	2.1
78.89765	2.0
79.05489	47.9
81.03414	5.9
81.07050	48.8
83.04977	53.6
83.08622	9.6
85.06541	7.0
91.05473	79.5
93.07042	45.7
95.04951	15.4
95.08604	22.6
97.06535	4.7
97.10182	5.3
99.04455	13.7
103.05470	7.1
105.07025	66.2
107.04944	35.8
107.08590	21.2
108.05737	2.3
109.02831	2.2
109.06507	25.0
109.10176	9.4
111.04427	16.4
111.08087	7.0
113.06026	3.0
115.05451	5.5
117.07019	27.1
119.08566	40.0
121.02870	2.1
121.06528	11.8
121.10162	10.7
123.04457	4.4
123.08090	7.4
123.11733	2.5
125.05964	13.7
125.09625	2.0
127.05374	1.8
128.06230	9.0
129.07014	16.1
131.04929	4.3
131.08548	33.0
133.06488	20.0
133.10124	24.4
135.08041	19.6
135.11682	10.5
137.06006	3.4
137.09599	3.4
139.07571	3.2
141.06970	6.9
143.08554	11.5
145.06519	12.7
145.10088	23.1
147.08043	17.9
147.11670	18.6
149.05995	6.9
149.09637	10.4
151.07570	5.4
153.09122	3.1
155.08580	7.1
157.10184	8.8
159.08066	24.5
159.11664	14.2
160.08794	3.5
161.09618	22.8
161.13269	5.8
163.07549	12.5
163.11221	6.6
165.09123	3.9
169.10121	8.2
171.11647	11.9
173.09639	12.1
173.13278	7.5
175.11188	6.7
177.09138	5.3
177.12778	9.7
178.13461	3.2
183.11690	4.6
185.09702	3.0
185.13297	2.6
187.11238	8.8
187.14813	6.0
189.12706	4.3
191.10638	3.7
197.13264	4.7
199.11174	4.9
201.12720	2.7
205.15904	7.6
211.14825	2.7
215.14284	10.1
215.18016	4.9
217.12280	3.2
225.16391	5.3
233.15323	23.9
235.14861	3.9
239.18018	5.3
243.17534	10.9
253.15834	6.0
257.18985	4.4
261.18530	21.4
271.16879	23.1
289.18030	100.0
289.21548	15.5
290.18387	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.1
55.05510	14.6
58.31709	6.9
62.69760	7.2
67.01862	9.5
67.05486	15.4
69.07062	21.4
69.47664	64.9
71.05006	11.0
78.50882	6.0
79.05505	17.6
81.07060	50.4
83.04971	18.1
83.08624	9.9
84.04502	10.0
85.06519	10.0
91.05481	27.8
93.07047	78.8
95.04972	26.6
95.08606	31.7
97.06537	33.0
99.04469	11.9
99.08105	6.9
105.07058	43.7
107.04945	13.0
107.08616	26.5
109.06516	39.6
109.10183	9.6
111.08089	17.2
119.08620	29.6
121.06504	98.8
121.10128	10.2
123.04444	8.0
123.08094	8.0
123.11650	14.8
127.07579	17.6
131.08534	11.4
133.10136	28.4
135.04405	22.7
135.08037	9.3
139.07549	30.1
141.07133	9.4
143.08560	14.8
145.02872	7.8
147.11696	71.7
149.02356	11.5
151.11368	7.7
153.01825	100.0
157.08662	9.2
157.10141	19.9
161.13242	8.2
163.03897	54.6
165.12750	17.5
167.03391	17.9
169.12257	16.1
171.02922	18.1
171.11729	23.5
175.11246	30.3
189.12735	26.4
193.12221	34.4
199.11176	37.1
207.13788	13.2
211.13287	30.7
217.12279	96.6
235.13301	58.7
253.14296	38.7
289.06909	54.7
313.02911	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	17.2
55.05501	31.6
57.97597	9.8
67.05501	42.8
68.55450	10.6
69.03433	18.3
69.07061	42.0
70.91865	29.7
71.04974	19.0
72.47285	10.0
75.15455	8.6
76.84304	12.0
77.06969	9.8
79.05500	41.8
81.03407	20.3
81.07048	83.0
83.04973	21.0
83.08671	12.9
84.04501	22.1
85.02905	21.6
85.06539	12.9
91.05463	54.5
92.74368	8.8
93.07044	67.4
95.04967	42.6
95.08607	45.3
97.02829	9.2
97.06521	43.0
98.46409	9.6
98.97556	14.9
99.04424	14.9
100.68982	9.8
103.05476	9.2
105.07027	55.2
107.04964	23.8
107.08597	45.7
109.06544	52.1
109.10152	25.2
111.04435	14.5
111.08071	16.5
113.06016	10.0
115.18263	9.2
116.98559	11.9
117.07019	24.8
119.08567	59.0
121.06510	98.9
121.10169	27.2
122.06068	16.8
122.96825	9.8
123.04434	22.8
123.11684	19.2
125.06042	11.9
127.03962	16.3
128.06223	16.7
129.07040	12.5
131.08609	30.4
133.10136	50.4
139.07587	18.8
140.07056	13.4
142.07794	12.2
143.08589	31.8
145.10136	51.3
147.11705	47.0
149.02371	28.1
150.09145	83.3
151.03914	15.2
153.01811	55.9
155.08565	13.6
157.10141	40.9
159.11703	14.3
161.09631	16.0
161.13301	12.7
163.03934	26.6
165.12755	21.7
167.03380	56.2
169.12343	12.8
171.11708	28.0
173.13254	24.2
175.11197	45.3
181.10147	12.5
185.13138	18.8
189.12691	28.7
193.12138	24.2
197.13469	13.1
199.11118	18.5
199.14835	25.2
211.13242	31.7
217.12267	63.9
235.13261	50.9
253.14302	23.6
271.16882	36.4
289.06430	31.9
289.09769	41.7
289.14642	27.9
289.18027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
53.23455	1.1
55.01877	1.7
55.05523	1.3
56.96571	1.4
57.03438	2.5
59.05009	16.2
69.03075	1.9
69.03428	18.9
69.07079	1.8
70.06591	3.7
71.01338	1.3
71.04993	1.5
71.57493	1.7
81.03416	8.8
81.07030	2.8
84.04506	3.6
84.08135	2.4
85.02906	7.3
85.06558	1.8
87.00839	1.6
87.04472	30.0
91.05505	1.5
95.04942	1.6
97.02909	5.7
97.06563	1.4
99.04453	4.1
99.68362	1.2
107.04957	1.4
109.02875	4.1
109.06565	1.9
116.98612	1.6
119.01937	1.9
123.04474	1.4
125.02337	2.0
127.03912	10.9
130.06537	1.8
143.03398	3.2
145.04909	1.3
157.07599	1.4
163.03973	1.8
171.02847	1.4
185.61607	1.5
187.08167	2.2
199.08221	2.4
213.03958	1.7
217.09430	1.6
221.05106	3.0
271.08353	1.8
271.17261	1.5
289.12595	100.0
289.18088	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11349	1.6
69.03424	3.9
69.07081	1.9
70.06596	2.4
71.56852	1.5
71.57333	2.1
74.10667	1.5
81.03419	4.2
84.04520	3.6
85.02905	6.7
86.09698	5.1
95.04996	2.4
97.02870	3.9
105.07015	2.0
109.02879	3.5
116.45485	2.0
119.01946	3.0
119.08597	2.8
123.04454	1.7
127.02972	3.4
127.03904	58.1
131.04877	1.8
136.04547	1.7
137.05928	2.7
141.06946	1.9
157.06438	2.6
163.03911	2.4
173.06039	2.2
229.05142	2.5
261.11401	2.4
289.07330	4.1
289.12564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
55.05505	5.9
67.05497	6.5
69.03408	4.3
69.07075	10.3
69.86163	3.0
70.87703	4.1
70.88040	6.8
71.04969	3.3
79.05501	8.7
81.03429	3.9
81.07054	20.5
83.04982	5.3
84.04493	18.4
89.24238	3.0
91.05471	7.1
93.07034	27.4
95.04951	8.3
95.08595	13.4
97.06528	10.7
99.04447	5.8
105.07040	14.1
107.04947	4.2
107.08575	16.1
109.02844	3.1
109.06506	13.7
109.10150	6.4
111.08079	8.6
119.08581	10.4
121.02877	4.9
121.06500	24.7
121.10194	5.3
123.04362	3.2
123.11646	3.8
125.05978	7.2
126.05519	3.9
131.08603	3.5
133.10138	9.3
139.07552	8.9
145.10112	5.8
147.11688	19.9
149.02454	3.4
149.13283	4.9
151.03889	3.6
151.11147	3.3
153.01825	28.0
154.02109	3.6
155.02165	5.0
157.08607	3.9
157.10172	7.6
161.35007	3.4
165.12796	5.7
165.29022	3.3
167.03407	5.8
169.12254	5.2
175.11192	10.3
189.12730	7.6
193.12271	11.7
199.11215	6.4
207.13774	4.9
211.13321	11.6
217.12227	24.3
235.13306	21.9
243.05696	3.7
253.14230	8.9
271.06021	4.8
289.06067	100.0
289.17883	5.2
290.06332	3.6
308.02881	3.1
314.97150	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03938	1.4
55.01874	1.4
56.96540	0.8
58.33661	0.7
60.98554	0.7
63.46748	0.7
65.03918	2.1
67.01860	9.2
67.05496	0.9
68.99780	7.5
69.03423	4.1
69.46376	3.9
69.46780	2.0
71.01318	0.9
79.05489	3.7
81.03411	6.6
81.07066	0.8
83.66254	0.7
84.04504	1.1
85.02898	1.2
89.03968	1.0
91.05461	3.6
95.04942	4.7
97.02869	2.5
98.20727	0.9
99.04496	1.1
103.05456	1.1
104.27180	0.9
107.04947	67.6
108.05292	1.1
111.04432	3.1
115.05431	1.2
119.04922	2.8
120.74371	0.6
121.02860	13.0
123.04428	3.1
125.02296	0.8
127.03911	17.5
128.06209	0.8
129.01848	1.1
129.06998	1.0
131.04926	0.9
131.08542	1.3
133.02808	0.9
133.06464	1.3
135.04405	8.9
137.02313	1.4
137.05968	1.2
139.03883	3.6
141.06981	4.3
142.07556	0.8
145.06511	1.5
147.04411	1.6
147.08070	1.7
148.07504	1.0
149.02328	65.6
150.02696	1.1
153.01816	100.0
154.02269	1.1
159.04480	0.8
159.08084	1.0
161.09595	0.8
163.03876	3.8
167.03412	10.8
169.06464	6.2
171.02878	26.6
173.05942	1.5
175.08690	1.6
187.03908	0.9
187.07562	2.0
191.08141	3.3
195.02873	7.4
197.05949	5.9
215.07013	59.4
242.05763	1.2
243.06508	47.2
244.07127	0.9
271.06058	10.1
289.07080	5.3
289.11823	2.0
289.57867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01866	1.9
55.05496	1.6
56.05012	1.1
56.96551	1.4
57.03422	1.1
59.05004	17.3
67.05498	2.0
69.03427	18.6
69.69525	1.9
69.69930	5.1
70.06583	3.4
71.04990	3.1
73.02921	1.1
74.02435	1.6
79.05502	1.6
81.03419	8.4
84.04478	2.8
84.08141	3.2
85.02902	7.1
85.06544	2.1
86.09695	1.8
87.00829	1.4
87.04467	32.5
95.04944	1.0
95.87045	0.9
97.02893	4.4
98.98415	0.9
99.04445	4.7
102.21567	0.9
107.04970	1.6
109.02872	3.5
109.06489	1.3
109.10199	1.1
113.02372	1.2
116.98628	1.2
119.08514	1.0
123.04417	2.0
123.73051	1.0
125.02363	1.6
126.05498	1.0
127.03920	9.1
127.07549	1.1
131.01866	1.6
135.70033	1.2
143.03387	3.2
152.42070	1.1
163.03903	1.1
167.07047	2.2
173.05899	1.2
185.08098	1.5
202.02811	1.0
205.09224	1.0
213.03911	2.7
221.05084	1.2
231.05086	1.3
271.08170	2.8
289.12567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01863	2.5
55.05502	3.0
56.96560	0.9
57.03436	10.6
60.15116	0.6
65.03929	1.6
67.05501	8.8
68.99788	3.7
69.03439	0.7
69.07083	3.1
69.78664	3.5
71.04981	0.9
75.43602	0.7
79.05489	10.6
81.03413	2.9
81.07053	8.9
83.04959	2.1
83.08615	1.5
88.07607	0.7
91.05475	12.8
93.07059	4.5
93.60905	0.7
95.04967	10.7
95.08613	2.6
97.06524	2.1
98.20752	0.9
98.98472	1.2
99.04462	0.9
103.05449	2.0
105.03415	1.3
105.07031	7.5
106.08698	0.8
107.04961	7.8
107.08598	3.1
109.02892	1.4
109.06516	13.1
109.10175	1.1
111.00803	2.0
115.05445	1.8
117.07006	5.3
119.04951	2.2
119.08587	5.0
121.02853	6.5
121.06477	4.0
121.10158	2.2
123.04495	1.3
123.08040	3.2
125.09627	0.9
128.06247	3.9
129.07004	5.7
130.07680	0.7
130.93288	1.1
131.04962	1.7
131.08568	5.4
133.02802	0.9
133.06543	4.0
133.10143	1.8
134.50278	0.7
134.99702	0.8
135.04395	0.8
135.08057	5.6
135.11652	1.0
137.02333	4.3
137.05986	4.2
137.09654	0.9
141.06949	3.4
143.08578	3.9
144.05704	1.9
145.06412	4.0
145.10109	3.2
147.04399	2.6
147.08029	5.2
147.11684	0.8
149.05986	2.8
149.09599	2.3
151.07503	2.0
153.01836	12.2
153.07047	0.8
155.08592	2.2
157.06479	5.1
157.10127	2.0
158.07274	0.8
159.08052	4.1
159.11714	0.8
159.72614	0.6
160.05225	1.6
161.05981	4.4
161.09602	3.6
163.07515	1.5
165.01773	3.7
165.07011	1.5
165.09024	0.9
167.03474	0.9
167.08566	1.8
169.06383	0.7
169.10181	2.0
171.04440	1.1
171.08057	3.0
171.11667	1.8
172.94446	0.6
173.05983	1.3
173.09662	2.8
175.07552	13.7
175.11215	1.1
177.09158	2.6
177.61404	0.7
181.06363	0.7
181.10109	1.2
183.02878	1.9
183.34941	0.6
185.06059	2.2
185.09618	4.3
185.13225	1.6
187.07506	3.4
187.11214	1.9
189.09084	3.8
190.95390	3.0
195.11644	1.3
197.09630	1.5
199.07547	0.7
201.05408	1.1
201.09163	1.3
203.06969	1.1
203.10686	2.0
208.96498	2.6
211.07742	1.1
213.05515	3.9
213.12663	3.9
213.16286	0.9
215.07039	25.5
215.10609	2.3
223.14787	1.3
225.12695	0.8
227.10675	0.8
227.14238	1.5
231.06532	1.1
231.13782	5.2
241.04979	1.9
241.08618	2.0
241.12173	0.9
241.15872	3.1
243.13966	0.7
250.97557	1.3
251.14368	1.2
254.09421	1.3
258.05255	1.8
259.17004	3.6
269.08447	1.2
269.11771	7.9
269.15390	7.4
287.05524	100.0
287.08981	5.8
287.12781	24.1
287.16428	28.3
287.19901	2.3
287.23334	0.9
288.05817	8.1
288.13147	1.3
288.16766	1.2
288.29047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.05512	2.1
60.08141	1.5
67.05505	9.1
68.05016	2.7
68.99800	2.2
69.03426	1.9
69.07066	19.7
70.06593	1.6
71.04974	1.6
71.15019	2.4
79.05482	3.8
79.66465	0.9
80.05005	3.4
81.03411	1.3
81.07037	2.0
83.04980	1.1
84.08097	1.7
86.09671	1.6
91.05464	3.0
93.05761	2.1
93.07013	2.5
94.06562	49.4
95.04966	6.9
95.08569	0.9
97.02865	1.6
97.06562	1.0
98.06075	1.0
105.07008	1.3
106.83529	0.9
107.04943	1.5
107.08564	1.1
110.06018	1.2
112.07574	5.7
118.06559	1.8
120.08077	6.4
121.02859	3.4
121.10109	1.1
122.06022	83.1
123.04404	3.2
127.03892	1.3
131.04970	1.0
137.02325	3.8
140.07057	96.3
141.07347	1.2
145.06412	1.3
146.05981	2.8
147.04329	1.0
148.07561	100.0
149.02385	1.2
149.07874	1.5
153.01842	5.1
159.11545	1.2
161.05844	1.2
165.01859	2.0
167.03455	2.2
185.07112	1.1
187.08585	1.1
191.14363	0.9
213.05292	1.9
241.04918	2.8
241.08594	1.7
242.80374	1.1
258.05356	1.7
259.05994	1.2
264.97690	1.0
269.04456	3.7
269.08090	1.6
287.05475	39.1
287.09744	7.2
287.13718	6.1
287.16757	2.1
287.23273	4.1
288.05768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
53.97675	0.4
54.42582	0.4
55.01865	1.1
55.05513	1.4
56.05009	0.4
56.63365	0.3
56.96540	0.5
61.75980	0.4
62.49960	0.4
63.00052	0.4
65.03936	2.4
67.01871	0.5
67.05508	6.2
68.05016	1.9
68.99783	4.0
69.03432	7.2
69.07067	10.1
69.78114	2.6
70.06570	1.1
71.01369	0.5
71.05001	0.4
72.08160	0.8
79.05487	3.4
80.05013	1.4
81.03424	1.2
81.07037	0.6
83.04955	0.4
84.04486	0.5
84.08119	1.0
85.02895	0.5
85.15691	0.4
86.09691	1.0
89.03960	0.5
91.05471	1.8
93.03428	0.5
93.05796	0.9
93.07039	1.7
94.06569	25.7
95.04969	5.5
95.08584	0.7
96.04492	0.9
97.02864	0.7
97.06548	1.2
103.05501	0.7
104.04977	0.7
105.03382	1.2
105.07057	1.1
107.04967	4.5
107.08600	0.6
109.02888	0.8
109.10215	0.6
109.42483	0.4
110.06078	0.8
111.00812	1.4
111.04441	1.3
112.04020	0.6
112.07613	3.3
115.05447	1.0
117.07005	0.8
118.06527	2.0
119.04948	0.8
119.07317	0.7
119.08655	0.6
120.08106	3.4
121.02869	9.9
121.03886	0.5
121.06510	1.2
122.06026	46.2
123.04419	3.3
125.05982	0.5
127.03918	1.8
128.06197	1.0
129.06990	1.2
130.06529	0.4
131.04913	1.4
131.08592	0.5
133.02850	3.0
133.10115	0.7
134.03642	1.9
135.04413	1.6
136.07611	0.5
137.02325	6.3
137.05945	0.6
140.07060	58.0
141.07016	0.5
143.08488	0.6
144.05742	0.5
145.06491	2.5
145.10123	0.7
146.06000	1.9
147.04402	3.4
147.06819	0.7
148.07570	56.8
149.02353	1.5
149.05991	0.6
149.07892	0.7
151.03972	0.7
152.06180	3.1
153.01831	12.1
153.06963	0.9
157.06471	2.8
160.05161	0.8
161.02391	0.7
161.05994	1.0
165.01842	4.1
165.07040	1.4
166.07831	0.8
167.03413	1.6
167.08572	3.7
169.06514	1.2
170.07314	0.6
171.02966	0.6
171.04404	1.0
171.08049	1.0
172.07549	0.6
173.05984	2.4
175.03885	0.8
176.06200	1.0
177.07019	2.1
181.06502	1.2
183.02869	2.0
183.06696	0.4
184.05229	1.1
185.05988	2.1
185.09549	1.0
194.07338	0.5
195.08060	5.1
197.05959	1.8
198.06761	2.6
199.07588	1.2
200.02211	0.5
200.07022	0.7
201.05461	1.1
205.06569	0.6
211.07629	0.7
213.05495	6.4
213.09047	5.3
223.03873	0.4
223.07538	5.0
226.06113	2.0
227.07047	1.6
227.10689	0.9
231.06531	1.3
233.11612	0.5
241.05106	2.6
241.08578	30.5
242.08884	0.9
242.11710	1.2
243.14929	0.8
245.09253	1.9
251.07021	4.7
258.05292	2.4
259.05969	0.6
259.09509	1.9
269.04843	1.7
269.08072	46.6
269.12863	1.4
270.08429	1.9
270.11066	0.7
287.05496	100.0
287.09100	22.6
287.13644	3.8
288.05835	5.7
288.09299	0.9
294.94635	0.4
305.11530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
52.61378	0.5
52.62312	0.5
53.03941	1.4
55.01862	1.5
55.05519	3.0
56.96553	1.2
57.07081	0.6
63.44161	0.4
65.03927	0.9
65.55897	0.4
65.74693	0.5
67.05505	5.8
68.99794	3.3
69.03416	2.1
69.07070	3.6
70.92080	1.4
71.04971	1.2
72.48059	0.4
74.28937	0.5
79.05487	6.5
81.03424	1.4
81.07055	8.6
81.19366	0.5
83.04977	0.5
83.08615	2.0
85.02894	0.6
85.06538	0.7
86.05490	0.4
91.05042	0.5
91.05484	5.0
93.07039	6.6
95.04952	2.2
95.08602	6.5
97.06548	1.1
97.10136	0.8
98.97613	0.9
98.98464	0.9
99.04461	1.1
103.05459	3.5
105.03392	1.3
105.07024	28.7
107.04958	4.3
107.08575	4.7
109.02848	1.4
109.06475	0.6
109.10167	4.6
111.00786	1.8
111.04415	0.8
111.08078	0.6
115.05463	1.7
116.98640	0.8
117.07012	1.0
119.04948	0.6
119.08567	4.0
121.02866	8.4
121.06497	3.6
121.10135	3.9
123.11710	2.7
127.03905	1.4
128.06227	0.5
129.06995	1.2
131.04904	1.8
131.08517	2.4
133.06483	84.9
133.10123	1.7
134.06818	1.0
134.99655	0.5
135.04427	1.1
135.08047	0.9
135.11687	3.0
137.02330	2.4
137.05980	0.6
137.09567	0.9
141.06975	0.8
143.08519	1.2
145.06454	1.1
145.10092	2.0
147.04402	2.5
147.07968	0.5
147.11665	1.6
149.05969	24.6
149.09630	1.1
149.13252	1.0
151.03923	0.5
153.01823	12.9
157.06483	1.9
157.10078	1.6
159.07983	0.8
159.11688	2.6
161.05951	1.4
161.09557	0.7
161.13278	1.1
163.07538	0.8
165.01854	3.6
165.09132	3.8
167.07033	14.1
167.08423	1.0
169.06477	0.8
171.03056	0.5
171.04417	0.9
171.11694	0.7
173.13229	0.9
175.07498	1.5
175.14737	0.5
183.02917	1.9
184.63559	0.5
185.06015	1.4
185.13284	1.0
189.05519	0.5
189.16304	0.8
191.10568	0.5
191.17833	1.0
194.07173	0.5
197.13226	0.6
201.16406	1.1
205.12251	0.8
205.19501	0.6
213.05423	3.9
213.16368	0.5
215.17923	0.8
219.03813	0.5
226.31116	0.5
227.07133	0.6
227.10661	0.7
227.17885	0.6
229.04846	0.6
231.06416	1.3
241.04918	1.7
241.08688	1.4
241.12126	0.6
251.20148	0.6
258.05103	2.2
259.05957	1.6
259.09821	0.6
259.16910	1.5
269.04715	0.7
269.08005	1.8
269.11554	2.8
269.15549	0.5
269.18832	0.7
269.22830	0.7
287.05487	100.0
287.08798	4.1
287.12540	2.2
287.16339	1.8
287.20050	2.2
287.23721	3.0
288.05801	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
52.61378	0.5
52.62312	0.5
53.03941	1.4
55.01862	1.5
55.05519	3.0
56.96553	1.2
57.07081	0.6
63.44161	0.4
65.03927	0.9
65.55897	0.4
65.74693	0.5
67.05505	5.8
68.99794	3.3
69.03416	2.1
69.07070	3.6
70.92080	1.4
71.04971	1.2
72.48059	0.4
74.28937	0.5
79.05487	6.5
81.03424	1.4
81.07055	8.6
81.19366	0.5
83.04977	0.5
83.08615	2.0
85.02894	0.6
85.06538	0.7
86.05490	0.4
91.05042	0.5
91.05484	5.0
93.07039	6.6
95.04952	2.2
95.08602	6.5
97.06548	1.1
97.10136	0.8
98.97613	0.9
98.98464	0.9
99.04461	1.1
103.05459	3.5
105.03392	1.3
105.07024	28.7
107.04958	4.3
107.08575	4.7
109.02848	1.4
109.06475	0.6
109.10167	4.6
111.00786	1.8
111.04415	0.8
111.08078	0.6
115.05463	1.7
116.98640	0.8
117.07012	1.0
119.04948	0.6
119.08567	4.0
121.02866	8.4
121.06497	3.6
121.10135	3.9
123.11710	2.7
127.03905	1.4
128.06227	0.5
129.06995	1.2
131.04904	1.8
131.08517	2.4
133.06483	84.9
133.10123	1.7
134.06818	1.0
134.99655	0.5
135.04427	1.1
135.08047	0.9
135.11687	3.0
137.02330	2.4
137.05980	0.6
137.09567	0.9
141.06975	0.8
143.08519	1.2
145.06454	1.1
145.10092	2.0
147.04402	2.5
147.07968	0.5
147.11665	1.6
149.05969	24.6
149.09630	1.1
149.13252	1.0
151.03923	0.5
153.01823	12.9
157.06483	1.9
157.10078	1.6
159.07983	0.8
159.11688	2.6
161.05951	1.4
161.09557	0.7
161.13278	1.1
163.07538	0.8
165.01854	3.6
165.09132	3.8
167.07033	14.1
167.08423	1.0
169.06477	0.8
171.03056	0.5
171.04417	0.9
171.11694	0.7
173.13229	0.9
175.07498	1.5
175.14737	0.5
183.02917	1.9
184.63559	0.5
185.06015	1.4
185.13284	1.0
189.05519	0.5
189.16304	0.8
191.10568	0.5
191.17833	1.0
194.07173	0.5
197.13226	0.6
201.16406	1.1
205.12251	0.8
205.19501	0.6
213.05423	3.9
213.16368	0.5
215.17923	0.8
219.03813	0.5
226.31116	0.5
227.07133	0.6
227.10661	0.7
227.17885	0.6
229.04846	0.6
231.06416	1.3
241.04918	1.7
241.08688	1.4
241.12126	0.6
251.20148	0.6
258.05103	2.2
259.05957	1.6
259.09821	0.6
259.16910	1.5
269.04715	0.7
269.08005	1.8
269.11554	2.8
269.15549	0.5
269.18832	0.7
269.22830	0.7
287.05487	100.0
287.08798	4.1
287.12540	2.2
287.16339	1.8
287.20050	2.2
287.23721	3.0
288.05801	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69914	2.7
55.01870	4.0
55.05494	3.0
55.87878	2.8
56.96562	5.9
57.03440	5.4
63.00041	5.9
65.03934	5.2
67.01877	6.2
68.99794	7.9
69.03407	6.0
70.06580	6.1
71.57249	3.6
71.57635	3.7
79.05479	9.2
81.03437	3.5
85.02916	4.0
86.09706	5.6
87.29665	2.5
91.05506	3.7
93.03397	3.1
95.04954	6.8
98.98465	6.7
103.05452	3.3
105.07024	3.9
107.04936	14.8
107.08564	3.2
110.03645	10.5
111.04443	10.9
115.05514	2.9
116.98640	2.9
117.03345	3.5
121.02886	9.9
121.06494	9.2
123.04438	3.6
125.05998	37.8
129.07034	4.2
133.02832	3.0
135.04436	16.1
135.08022	3.1
137.02344	8.4
137.05963	4.1
147.04408	8.0
149.06001	10.4
151.03897	35.4
151.04973	5.1
153.01807	19.3
153.05415	4.5
161.01176	4.9
163.03889	17.1
163.07494	3.3
165.05521	15.1
167.03387	3.1
167.07063	12.6
167.08447	3.8
171.02872	23.0
177.05553	12.5
180.04335	3.2
183.02982	3.1
195.04674	2.5
195.06499	6.6
199.07562	3.4
199.09746	2.6
213.05544	5.2
213.09193	3.5
217.05075	3.2
225.07654	3.7
231.06583	4.8
241.04927	4.4
241.08571	18.3
251.06940	3.2
269.05045	3.8
269.08017	26.0
270.08420	3.0
287.05582	100.0
287.08429	5.0
287.11273	49.7
287.16083	4.5
288.05917	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
53.03949	0.5
55.01854	0.8
61.20351	0.3
65.03932	1.3
67.01858	0.7
67.05490	0.6
68.99790	6.3
69.03430	2.9
69.07075	0.7
70.42444	1.4
70.42789	0.4
71.01353	0.7
79.05484	1.7
81.03410	3.2
81.51945	0.4
91.05497	1.4
94.06577	1.5
95.04974	1.1
103.05472	0.8
105.03384	1.6
105.07074	0.4
107.04936	3.3
109.02885	1.1
111.00833	2.0
111.04449	1.1
115.05464	0.7
117.07048	0.7
119.04927	1.0
121.02866	11.5
121.03893	0.6
122.06035	2.4
123.04448	0.9
127.03917	6.9
128.06224	0.6
129.06992	1.1
131.04941	4.1
132.05646	0.7
133.02850	2.1
133.06551	0.6
134.03651	0.6
135.04446	0.7
137.02336	20.7
140.07047	3.2
141.06996	0.9
142.07747	0.5
143.08589	0.9
145.06451	2.0
147.04407	8.7
148.07596	2.9
149.02370	1.7
149.05943	0.6
152.06226	2.9
153.01831	13.0
153.06946	1.0
157.06482	3.3
157.10139	0.4
159.04431	1.3
160.05191	9.1
161.05981	1.0
165.01816	3.8
165.06967	2.0
166.07776	0.9
167.08548	3.5
169.06528	0.9
170.07289	0.8
171.03036	0.6
171.04453	1.4
171.08003	1.7
173.05977	3.0
173.09631	0.6
175.03912	0.6
176.06287	0.5
177.05472	0.6
177.07008	2.1
178.06229	2.2
181.06506	1.4
182.07254	0.4
183.02876	1.8
184.05208	1.0
185.06000	2.4
185.09615	0.8
194.07309	0.6
195.08055	5.1
197.06009	1.2
198.06728	2.4
199.03815	0.4
199.07523	3.2
201.05565	0.4
205.06531	1.7
211.07475	0.5
213.05476	5.5
213.09074	3.5
223.07523	5.0
224.08302	0.5
226.06187	2.1
227.07135	0.8
231.06560	1.6
239.07191	0.5
241.05043	2.4
241.08580	21.2
250.06197	0.4
251.07036	3.0
252.07846	0.6
254.05664	0.7
256.06909	0.5
258.05148	3.1
259.05917	0.7
259.09698	2.2
269.08060	29.2
270.08725	1.1
287.05521	100.0
287.09128	58.2
288.05844	3.0
288.09436	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
53.03947	0.7
55.01858	0.7
55.05485	0.6
56.98103	0.4
63.00020	0.5
65.03924	0.9
67.05492	1.2
68.99783	6.6
69.03431	2.4
69.07056	1.5
69.34023	0.5
69.65025	1.9
69.65430	1.3
70.06617	0.5
71.01331	0.6
71.04980	0.6
79.05496	1.6
80.05007	0.5
81.03406	2.6
83.04945	0.5
91.05486	1.1
93.07062	0.7
94.06575	4.1
95.04968	1.5
97.02859	0.6
103.05456	0.7
104.41141	0.5
105.03381	1.4
105.07005	0.5
107.04961	3.7
109.02867	1.6
111.00780	1.3
111.04435	1.1
117.06986	0.6
119.04958	1.0
121.02869	11.4
121.03857	0.6
122.06016	7.4
123.04441	1.0
127.03919	6.0
128.06215	1.1
129.07001	1.2
131.04935	2.9
133.02856	1.6
134.03612	0.7
137.02339	15.4
140.07051	7.4
141.06996	1.0
144.68501	0.5
145.06511	1.9
147.04404	6.4
148.07578	8.3
149.02362	1.1
151.03859	0.6
152.06221	2.0
153.01823	11.6
153.06966	1.0
157.06497	2.7
159.04408	1.0
160.05183	5.7
165.01816	4.0
165.06995	1.4
167.03288	0.8
167.08575	2.7
169.06439	0.8
171.04401	0.8
171.07997	1.0
173.05998	1.8
175.03886	0.7
176.06174	0.7
177.06989	1.7
177.44548	0.5
178.06171	0.9
181.06454	1.2
183.02855	1.5
184.05292	0.6
185.05998	2.1
185.09581	0.8
195.08014	3.9
197.05969	2.2
198.06769	1.3
199.07605	2.5
201.05405	0.7
203.03438	0.6
205.06573	0.9
211.07567	0.7
213.05487	5.8
213.08957	2.5
221.06017	0.5
223.07486	3.7
226.06264	1.4
227.07080	0.8
229.05130	0.5
231.06482	0.8
241.04895	2.0
241.08580	16.7
251.07106	2.9
252.07716	0.5
258.05310	2.6
259.05975	1.1
259.09619	1.3
269.08075	23.2
269.12494	0.9
287.05499	100.0
287.09113	50.1
288.05807	2.4
288.09296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
53.03949	0.8
55.01879	1.1
57.03444	0.6
59.39873	0.4
60.30896	0.4
65.03954	0.7
66.14516	0.5
67.05498	1.2
68.99785	6.1
69.03425	0.7
70.17668	0.5
70.68212	0.4
70.93349	1.3
71.01341	0.6
79.05495	1.9
81.03414	4.4
81.07056	1.3
82.71207	0.4
84.08125	0.4
91.05493	2.1
93.07034	1.6
95.04971	1.0
95.08598	1.0
103.05468	2.0
105.03403	1.1
105.07014	1.0
107.04932	3.6
109.02893	0.9
111.00785	0.6
111.04444	0.7
115.05437	1.2
115.40500	0.6
117.07024	1.2
118.06550	0.5
119.04961	1.1
121.02860	5.7
121.06546	0.9
121.10184	0.5
123.04424	1.5
127.03923	10.7
128.06274	1.4
129.07010	1.3
131.04916	7.6
131.05840	0.7
132.05733	1.2
133.02844	1.1
133.06479	1.5
133.10118	0.5
134.03696	0.9
135.04401	0.9
136.07567	2.3
137.02336	34.1
137.05984	0.8
140.23096	0.5
141.07001	1.0
142.07838	1.0
143.08560	1.8
145.06497	2.0
145.10204	0.8
147.04414	11.8
147.05524	0.9
149.02344	2.3
149.05988	1.0
152.06201	4.0
153.01825	8.4
153.07011	1.9
155.08582	0.8
157.06548	2.4
159.04442	2.2
159.11728	0.5
160.03925	1.0
160.05205	14.3
161.02422	0.5
161.06079	0.5
163.07535	0.8
164.07085	1.9
165.01822	2.5
165.07002	3.3
166.07787	0.9
167.03401	1.0
167.08559	3.8
169.06519	0.9
170.07172	1.0
171.04362	0.9
171.08034	2.5
173.06026	3.7
173.09689	0.8
175.03915	0.8
175.07544	0.6
176.06204	1.6
177.05608	0.9
177.07013	2.9
178.06258	3.7
178.07668	0.7
181.06483	2.4
183.02933	1.2
184.05182	1.1
185.05992	2.1
185.09616	1.6
194.07271	0.7
195.08041	6.7
197.05942	1.6
198.06749	3.5
199.07498	4.9
201.09102	0.6
205.06531	1.6
207.57727	0.5
213.05499	4.4
213.09015	3.7
223.07539	6.8
224.08250	0.7
225.33304	0.4
226.06313	3.0
227.07053	1.8
227.10664	0.9
231.06544	1.1
239.07008	0.9
241.04765	1.3
241.08571	27.7
242.05655	1.0
251.07068	4.5
252.07748	1.2
254.05823	1.5
255.10342	0.6
256.06915	1.4
258.05212	1.2
259.05896	0.8
259.09683	1.8
269.08066	37.1
270.08618	0.9
287.05542	69.4
287.09146	100.0
288.05896	2.4
288.09500	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	(S)-DNPA
Peak:m/z	Relative Intensity
53.03925	0.4
54.47799	0.3
55.01859	0.9
55.05501	0.4
56.94236	0.3
65.03941	0.8
67.01870	0.8
67.05508	0.7
68.99783	2.8
69.03429	11.3
69.07056	0.5
71.31847	0.7
74.50338	0.3
79.05493	2.0
81.03409	0.7
81.07047	0.9
82.76472	0.3
83.04973	0.4
83.08618	0.3
91.05486	1.2
93.03423	0.4
93.07038	0.5
95.01344	0.4
95.04960	1.0
95.08580	0.6
97.02892	0.7
97.06540	0.3
98.98442	0.3
103.05440	0.4
105.03395	0.8
105.07026	1.0
107.04952	17.7
107.08603	0.5
109.02856	0.4
111.00793	0.7
111.04424	0.4
115.05494	0.6
117.07021	0.7
118.06546	0.3
119.04929	1.0
119.08572	0.6
121.02866	3.0
121.10123	0.4
122.01920	0.3
122.06078	0.3
123.04442	1.1
123.11674	0.3
127.03918	0.5
128.06206	0.5
129.07007	1.0
131.04906	1.9
131.08623	0.3
133.02861	2.5
133.06509	0.5
133.08333	0.2
133.10118	0.3
134.03647	2.9
135.04408	15.1
136.07558	0.6
137.02342	2.9
137.05977	0.4
141.06975	0.5
142.07767	0.6
143.08527	0.9
144.05719	0.3
144.47699	0.3
145.06474	2.2
145.10080	0.7
147.04404	3.1
149.02350	2.0
152.06184	3.5
153.01822	51.2
153.06989	1.1
154.02151	0.4
157.06473	2.0
157.10118	0.5
159.04427	0.7
159.11743	0.5
160.05225	1.1
161.02319	1.2
161.05989	0.7
163.07544	0.3
164.06964	0.3
165.01820	1.4
165.06976	2.7
166.07793	1.1
167.08571	3.8
169.06503	0.7
170.07275	1.0
171.04431	0.6
171.08011	1.1
173.05981	3.4
175.03961	0.8
176.06216	0.9
177.05553	0.4
177.06979	2.5
178.07761	0.4
181.06430	1.5
182.07253	0.4
183.02917	0.5
183.08064	0.9
184.05214	0.8
185.06012	1.7
185.09669	1.8
194.07307	0.8
195.08029	6.2
197.05933	1.9
198.06776	3.2
199.07495	1.3
201.05493	1.2
203.03531	0.3
205.06528	0.5
209.05959	0.3
211.07529	1.0
213.05499	4.1
213.09062	7.2
213.10982	0.5
214.06313	0.3
222.06578	0.3
223.07536	6.0
226.06261	1.8
227.06917	0.8
228.07620	0.9
231.06505	0.5
241.08582	42.4
242.08974	0.8
242.11555	0.4
243.15111	0.3
245.04478	0.8
250.06310	0.4
251.07025	5.1
252.07793	0.5
256.06818	1.5
258.05273	0.8
259.07111	0.4
259.09561	2.2
269.08072	63.5
270.08411	1.3
270.11148	0.6
287.05481	100.0
287.09055	23.9
288.05844	3.5
288.09033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03948	0.3
55.01845	0.5
56.71180	0.2
63.46556	0.2
65.03927	0.3
66.87962	0.2
67.01861	0.3
67.05494	0.5
68.99784	2.6
69.03420	0.4
71.58675	0.4
78.46987	0.2
79.05515	1.1
80.94328	0.2
81.07068	0.4
91.05486	0.4
93.07063	0.3
95.04945	0.9
95.08603	0.3
97.02856	0.3
97.74968	0.2
103.05438	0.4
105.03381	1.3
105.07030	0.9
107.04942	1.6
107.08581	0.2
109.02876	1.0
109.06504	0.3
111.00800	1.5
111.04440	0.3
115.05466	0.5
117.07009	0.6
119.04938	0.4
119.08537	0.4
121.02865	7.2
121.06408	0.5
127.03931	0.3
128.06175	0.3
129.07007	0.5
131.08560	0.4
133.02823	0.8
133.06474	0.3
135.04442	0.5
135.08035	0.3
137.02328	2.8
141.07031	0.4
143.08508	0.5
145.06479	0.7
145.10133	0.4
147.04393	1.7
153.01825	11.6
157.06476	1.6
161.05978	0.6
163.07495	0.3
165.01828	3.3
169.06419	0.2
171.02969	0.3
171.04384	0.6
175.07516	0.5
183.02901	1.6
185.05937	1.3
189.05438	0.3
203.07077	0.3
213.05469	3.2
215.07074	0.9
216.49052	0.2
229.05051	0.8
231.06535	1.3
232.96571	0.4
241.04956	2.0
241.08638	0.5
253.11153	0.3
258.05252	2.2
259.06052	1.4
261.09985	0.2
261.69052	0.2
269.04504	0.5
269.08078	0.6
269.12360	0.3
287.05490	100.0
288.05835	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
65.03934	0.6
67.01859	0.4
68.99785	3.3
69.03423	0.5
71.13119	0.7
75.83993	0.3
79.05495	0.8
81.03383	0.4
95.04935	0.5
103.05449	0.4
105.03352	1.0
107.04959	1.5
109.02858	0.9
111.00783	1.5
111.04443	1.0
121.02863	8.9
127.02368	0.3
129.07007	0.9
133.02847	1.3
134.76051	0.3
137.02339	2.8
145.06488	0.4
147.04405	1.5
153.01822	14.8
157.06461	1.7
161.05925	0.6
165.01842	4.5
171.04411	1.2
183.02869	2.0
185.05957	1.2
197.05977	0.5
203.03395	0.4
213.05438	4.2
216.04128	0.5
229.04865	0.6
231.06493	1.7
241.04979	1.5
258.05182	2.7
259.06021	0.7
269.04556	0.6
286.45508	0.4
287.05484	100.0
288.05829	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.65615	0.2
51.02069	0.2
52.82115	0.2
53.03939	0.3
54.02118	0.2
65.03921	0.6
67.01842	0.5
67.05495	0.4
68.99789	2.7
69.03428	0.5
70.43369	0.2
70.70187	0.6
79.05487	0.7
81.03415	0.5
81.07047	0.6
86.99884	0.3
91.05492	0.2
93.07014	0.4
95.04963	0.7
95.08608	0.4
98.20845	0.2
103.05436	0.3
105.03399	0.9
105.07063	0.2
107.04951	1.5
107.08607	0.4
109.02885	1.2
110.96246	0.2
111.00784	1.5
111.04427	0.6
113.14373	0.2
115.05447	0.5
117.06992	0.4
119.04955	0.3
119.08588	0.6
121.02866	7.3
121.06487	0.3
121.10142	0.3
127.03898	0.4
129.06982	0.8
131.08571	0.7
133.02858	1.3
133.10081	0.2
135.04378	0.4
135.21849	0.2
137.02335	2.6
141.06961	0.3
143.08510	0.3
145.06477	0.7
145.10091	0.6
147.04405	1.7
153.01825	11.6
156.09355	0.3
157.06512	1.9
157.10147	0.2
159.11685	0.4
161.05966	0.7
165.01833	4.5
171.04367	0.7
173.13261	0.5
183.02872	1.9
185.05983	1.2
185.13164	0.3
189.05469	0.3
201.05342	0.2
203.07027	0.3
213.05463	3.6
229.05022	0.4
231.06474	1.7
233.09702	0.4
241.04965	1.6
243.06473	0.3
258.05206	2.5
259.06000	0.8
269.04538	0.4
269.19055	0.4
287.05490	100.0
287.19684	1.1
288.05853	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
65.03932	0.6
67.01830	0.3
67.05494	0.5
68.99807	1.9
69.07059	0.4
70.05889	0.8
70.06297	0.5
71.04993	0.3
79.05489	1.0
81.03401	1.1
81.07040	0.8
89.59646	0.3
90.21986	0.2
91.05499	0.6
93.07017	0.3
95.04946	0.9
95.08624	0.6
97.06518	0.4
103.05489	0.3
105.03363	0.7
105.07021	0.4
107.04941	1.2
107.08613	0.3
109.02888	0.8
109.10126	0.3
111.00121	0.2
111.00783	1.4
111.04426	0.7
115.05434	0.4
119.08590	0.5
121.02870	7.3
121.03815	0.5
121.06442	0.4
127.03918	0.5
129.06999	0.4
131.08604	0.5
133.02835	1.1
133.10158	0.4
135.04405	0.5
135.11690	0.3
137.02336	3.0
141.06937	0.5
142.21375	0.2
145.10085	0.4
147.04398	1.4
147.08084	0.3
151.25096	0.3
153.01826	12.1
157.06447	1.7
161.05946	0.6
165.01820	3.5
167.03487	0.4
171.04387	0.6
175.03928	0.3
183.02910	1.8
185.05920	1.4
189.05600	0.5
203.07050	0.4
213.05449	3.3
229.04988	0.4
231.06493	1.3
241.04883	1.9
241.08676	0.3
242.05510	0.4
258.05237	2.9
259.06003	1.2
269.08267	0.3
269.12796	0.4
269.15579	0.3
287.05487	100.0
288.05798	3.2
297.63968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
54.56305	0.2
65.03943	0.3
65.29527	0.2
67.01862	0.3
68.00288	0.2
68.52863	0.2
68.99783	2.6
70.70918	0.6
70.71318	0.5
74.01355	0.2
79.05472	0.7
81.03407	0.3
95.04939	0.5
105.03400	1.2
107.04930	1.2
109.02877	0.5
111.00796	1.3
111.04436	0.5
115.05497	0.3
119.04941	0.4
119.09017	0.2
119.88763	0.2
121.02856	6.0
124.16247	0.2
127.03935	0.3
128.06204	0.4
129.07005	0.5
130.47192	0.3
133.02844	1.0
135.04448	0.4
137.02324	2.2
145.06470	0.6
147.04422	1.6
153.01825	10.6
157.06494	2.1
161.05940	0.4
165.01839	3.6
169.06467	0.3
171.04402	0.7
183.02867	1.6
185.05966	1.2
189.05428	0.3
194.02087	0.2
197.05882	0.4
203.07079	0.3
213.05460	3.2
229.04941	0.6
231.06548	1.3
241.04968	1.5
258.05252	1.9
259.06006	0.9
269.04633	0.4
287.05487	100.0
288.05884	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.38824	0.4
68.99785	2.4
69.52771	3.3
79.05470	0.7
95.04947	0.5
97.60960	0.4
105.03398	1.1
107.04940	0.9
109.02901	0.8
110.32022	0.4
111.00784	1.5
111.04399	0.8
121.02849	6.7
129.06998	0.6
133.02802	1.2
137.02313	2.5
145.06488	0.7
147.04416	1.3
153.01823	10.0
157.06448	1.0
165.01793	3.4
171.04366	0.5
183.02876	1.8
185.05952	1.4
213.05461	2.9
231.06511	1.2
241.04933	1.9
258.05258	2.5
259.06036	1.1
269.04352	0.4
287.05478	100.0
287.70935	0.4
288.05765	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76226	0.3
52.59383	0.4
55.01862	0.4
65.03932	0.6
65.16493	0.5
65.34033	0.3
67.01867	0.7
67.05481	0.3
68.99783	2.9
69.03416	0.6
70.12959	1.9
70.13329	0.3
79.05484	0.9
81.03417	0.5
90.14930	0.3
94.93114	0.3
95.04982	0.7
97.06536	0.5
103.39974	0.3
105.03388	0.8
105.07044	0.5
107.04929	1.4
109.02891	0.7
111.00765	1.7
111.04433	0.6
112.75981	0.4
117.07021	0.4
121.02877	7.4
129.06984	0.6
133.02838	1.0
135.04390	1.2
137.02354	2.8
140.30786	0.3
145.06468	0.5
147.04410	1.4
149.02284	0.4
153.00584	0.8
153.01825	13.5
157.06491	1.7
161.05978	0.8
165.01866	3.5
171.04320	0.8
183.02841	2.1
185.05948	1.4
197.06018	0.4
208.51544	0.4
213.05496	4.2
229.04980	0.9
231.06555	1.5
241.04982	1.7
243.06546	0.5
258.05164	2.5
259.05960	1.1
269.08087	0.7
287.05505	100.0
288.05878	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03931	0.2
55.01857	0.4
65.03941	0.8
65.91415	0.1
67.01852	0.6
68.99783	3.9
69.03426	1.1
71.01354	0.2
71.14826	0.2
71.15150	0.1
78.50474	0.1
79.05493	0.9
81.03408	0.8
83.62869	0.1
85.02883	0.2
91.05470	0.3
91.76569	0.1
95.04977	0.7
97.02881	0.3
103.05448	0.5
105.03381	1.4
105.06996	0.1
106.07040	0.1
107.04948	2.0
109.02891	0.9
111.00800	1.9
111.04430	1.0
115.05465	0.5
117.07021	0.2
119.04955	0.3
121.02857	10.9
121.03847	0.4
121.06496	0.2
122.03159	0.1
123.04439	0.3
124.01510	0.2
126.03158	0.1
127.03938	1.0
128.06219	0.4
129.06993	0.8
131.04939	0.5
133.02832	1.1
134.03627	0.3
135.04393	0.7
135.08005	0.1
137.02335	4.3
140.07054	0.3
141.06960	0.6
143.04973	0.2
145.02838	0.2
145.06485	0.9
147.04391	2.6
148.07576	0.3
149.02298	0.2
149.05936	0.2
151.03893	0.1
152.06192	0.3
153.01819	14.3
153.07053	0.2
154.02193	0.2
155.06004	0.2
155.22394	0.1
157.06473	2.6
159.04442	0.2
160.05145	0.6
161.02390	0.2
161.06012	0.8
163.03830	0.2
163.26015	0.1
165.01825	4.4
165.07030	0.2
167.03391	0.3
167.08577	0.3
169.06483	0.2
170.07278	0.1
171.02872	0.4
171.04396	1.0
173.05975	0.5
175.03857	0.4
177.06990	0.3
183.02879	2.1
184.05112	0.3
185.05997	1.6
189.05458	0.5
195.08076	0.5
197.05977	0.5
198.06786	0.3
199.03848	0.1
199.07587	0.1
201.05489	0.4
203.03375	0.3
203.07034	0.5
205.06496	0.1
213.05444	4.5
213.09076	0.6
214.05975	0.2
216.04185	0.2
217.04915	0.2
223.07544	0.5
226.06264	0.3
229.04929	0.8
231.06473	1.8
241.04919	2.1
241.08565	3.0
242.05618	0.3
243.06480	0.2
245.04250	0.2
251.06953	0.4
258.05234	2.8
259.05963	1.0
259.09692	0.1
263.05499	0.2
269.04559	0.6
269.08041	4.2
269.12543	0.2
270.05115	0.2
287.05484	100.0
288.02975	0.1
288.05826	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03941	0.5
55.05504	1.1
56.96558	0.6
65.03929	0.7
67.05508	2.2
67.83801	0.4
68.99794	3.0
69.03421	0.5
69.07047	1.0
69.49246	1.1
69.49677	2.2
70.06607	0.6
71.04985	0.3
73.02850	0.4
76.07072	0.4
79.05482	2.1
81.03415	0.8
81.07063	2.6
82.07359	0.4
91.05467	1.5
93.07026	1.8
95.04971	0.9
95.08598	2.1
97.10175	0.4
105.03388	1.3
105.07043	0.9
106.47488	0.3
107.04934	2.0
107.08590	1.2
109.02859	1.2
109.10146	1.0
111.00789	1.6
111.04423	0.5
115.05470	0.7
117.06992	0.6
119.04935	0.4
119.08574	1.5
121.02858	7.9
121.06504	0.4
121.10182	0.9
123.11681	0.5
127.03915	1.4
129.06969	0.6
131.04927	0.8
131.08525	0.6
133.02814	1.1
133.10126	1.1
135.04396	0.7
135.08075	0.4
136.07556	0.5
137.02310	4.1
141.06969	0.5
145.06451	0.9
145.10086	0.9
147.04388	1.6
147.11627	0.5
151.11273	0.5
153.01828	12.7
157.06442	1.8
157.10114	0.6
159.08055	0.4
159.11681	0.6
160.05299	0.4
160.76071	0.4
161.05949	0.9
165.01822	3.5
167.03471	0.4
167.08511	0.4
171.02841	0.5
171.04405	0.8
173.13278	0.5
175.07481	0.5
180.29192	0.3
183.02907	2.0
185.05984	1.3
189.09030	0.4
195.08084	0.8
199.14899	0.6
201.16356	0.6
213.05426	3.6
213.09073	0.4
215.17986	0.5
227.07222	0.4
231.06421	1.6
241.04904	2.0
241.08650	1.2
243.11598	0.4
256.06772	0.4
257.12790	0.6
258.05237	2.6
259.06049	1.2
259.08908	0.3
268.22791	0.6
269.04834	0.4
269.07855	2.3
269.12781	0.7
269.23010	2.5
286.23688	0.8
287.05502	100.0
287.23962	4.9
288.05829	2.6
305.14709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03944	0.3
55.01859	0.5
55.05495	0.6
55.80430	0.2
56.96560	0.5
57.03425	0.2
59.69820	0.2
65.03924	0.9
65.36804	0.2
67.01852	0.5
67.05521	1.0
68.99788	2.8
69.03416	0.6
69.07051	0.8
70.83227	0.5
73.54357	0.2
79.05491	1.1
81.03410	0.5
81.07057	1.3
83.04973	0.2
85.06551	0.2
91.05491	1.2
93.07051	1.0
94.04198	0.3
95.04940	0.8
95.08610	1.0
97.02917	0.3
97.06512	0.7
98.97549	0.2
98.98425	0.3
103.05459	0.6
105.03401	1.4
105.07021	1.1
107.04969	1.7
107.08611	1.0
109.02869	0.8
109.06537	0.4
109.10132	0.6
111.00826	1.9
111.04438	0.8
115.05443	0.4
117.07006	0.6
119.04920	0.4
119.08575	0.8
121.02862	8.5
121.06502	0.7
121.10139	0.7
123.08054	0.4
127.03867	0.5
128.06226	0.3
129.07016	0.7
131.04916	0.3
131.08545	0.7
133.02805	1.1
133.06474	0.4
133.10127	0.4
135.04431	0.5
135.08026	0.4
137.02328	3.0
137.03294	0.3
137.09619	0.3
141.06993	0.5
143.08582	0.5
145.06464	0.9
145.10103	0.8
147.04420	1.8
147.11653	0.4
149.05975	0.6
151.03906	0.3
153.01830	12.3
155.08617	0.4
157.06493	1.7
157.10110	0.7
159.08032	0.3
159.11681	0.4
160.05264	0.4
161.05968	0.4
161.13190	0.3
163.03918	0.4
163.07596	0.3
165.01831	3.1
169.06491	0.3
171.02974	0.4
171.04407	1.1
171.11703	0.3
173.05981	0.2
173.09599	0.2
173.13155	0.3
175.03984	0.3
175.07541	0.5
183.02910	1.7
185.05971	1.6
185.13286	0.3
189.05489	0.4
189.09157	0.3
191.06992	1.5
191.10710	0.4
197.05997	0.3
199.14922	0.2
201.16313	0.2
203.03488	0.3
203.07050	0.3
203.14635	0.2
208.96608	0.2
213.05435	3.6
213.08780	0.3
213.16307	0.2
216.04160	0.3
229.04919	0.5
229.19650	0.2
231.06496	1.2
241.04997	1.5
241.08562	0.4
243.06488	0.2
250.97440	0.4
258.05289	2.7
259.06000	0.7
259.16745	0.2
269.04391	0.3
269.08002	0.8
269.15451	0.5
269.19034	0.2
269.22510	0.4
287.05499	100.0
287.15863	1.6
287.23660	0.9
288.05777	3.2
304.47409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03934	0.3
55.01860	0.2
55.05484	0.1
56.96545	0.1
60.07830	0.1
63.00012	0.1
65.03921	0.5
67.01877	0.6
67.05498	0.1
68.99785	3.5
69.03407	0.7
70.06586	0.1
70.16306	0.3
70.16718	0.2
71.01319	0.2
72.08149	0.1
72.66889	0.1
78.22661	0.1
79.05486	1.2
81.03402	0.6
81.07029	0.2
81.44077	0.1
83.01322	0.1
84.08141	0.2
85.02896	0.3
86.09698	0.2
91.05472	0.5
93.03378	0.1
93.07054	0.1
94.04151	0.1
95.04962	0.6
95.08589	0.2
97.02855	0.3
100.11233	0.1
103.05449	0.4
105.03379	1.2
105.07010	0.3
107.04945	1.7
107.08584	0.3
109.02859	1.2
111.00795	2.1
111.04424	0.8
115.05438	0.4
117.07006	0.3
119.04944	0.3
119.08544	0.1
121.02854	10.0
121.03883	0.3
121.06461	0.3
122.03209	0.2
123.04411	0.2
125.02328	0.1
127.03902	0.6
128.06180	0.4
129.06984	0.7
131.04941	0.3
133.02838	1.2
133.06503	0.2
133.10124	0.1
135.04420	0.5
135.08035	0.1
137.02316	2.8
139.05423	0.1
141.07004	0.5
143.04970	0.1
145.02826	0.1
145.06474	0.9
147.04384	1.7
149.02310	0.3
151.03943	0.2
152.06186	0.1
153.01814	14.4
154.02141	0.1
157.06470	2.0
160.05154	0.2
161.05936	0.7
163.03871	0.4
165.01822	4.0
167.04990	0.1
167.07039	0.1
167.08466	0.1
169.06473	0.3
171.02846	1.0
171.04393	1.1
173.05840	0.2
175.03859	0.2
175.07616	0.2
177.05476	0.2
183.02885	1.7
183.04465	0.2
184.05217	0.3
185.05960	1.6
189.05415	0.4
191.14145	0.1
194.02136	0.1
195.08075	0.1
197.06000	0.4
199.03899	0.2
201.05374	0.1
203.03418	0.3
203.07033	0.4
212.04582	0.1
213.05429	4.1
214.05902	0.2
215.07112	0.1
216.04144	0.3
217.04984	0.2
219.06532	0.1
226.06355	0.1
227.06956	0.1
229.04968	0.7
231.06502	1.8
241.04944	1.8
241.08434	0.5
242.05621	0.3
243.06383	0.2
245.04446	0.2
251.06805	0.1
258.05219	2.7
259.05939	1.0
259.09601	0.2
263.05386	0.1
269.04456	0.5
269.08118	0.5
286.04263	0.1
287.05463	100.0
288.05780	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.1
57.03439	21.8
60.08160	5.7
62.27905	3.1
67.05502	40.2
69.07069	19.7
69.89664	3.6
70.35647	6.1
70.36063	12.3
71.04986	8.4
79.05490	22.7
81.07056	100.0
83.04984	7.0
83.08614	10.1
85.06535	9.6
89.39886	3.6
91.05466	37.2
93.07039	16.3
95.04971	6.7
95.08592	21.3
96.72937	3.3
97.06526	6.7
99.08088	5.5
105.07036	38.2
107.08598	15.1
109.10119	6.1
112.20776	3.2
119.08588	28.2
121.10163	22.7
123.08083	6.2
123.11710	26.5
129.07007	5.5
131.08583	4.8
133.10071	3.9
147.11687	77.8
149.05983	8.3
155.01929	6.5
157.10121	8.2
165.12769	33.5
171.01373	23.1
175.11153	5.6
188.89874	3.3
193.12207	5.9
249.67914	4.3
284.33002	4.1
285.16818	26.3
285.21967	6.2
285.33365	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.3
56.60405	2.4
57.03431	16.4
57.07043	3.0
67.05498	37.8
69.07068	19.6
71.04983	8.4
71.59431	4.1
73.04701	2.5
77.19691	2.8
79.05492	18.3
81.07051	100.0
82.61649	2.2
83.04974	8.6
83.08618	10.0
85.06528	5.4
86.10271	2.1
91.05466	26.8
93.07049	13.9
95.04969	4.0
95.08595	24.6
97.06545	6.9
99.08096	4.3
105.07021	35.9
107.08578	9.8
109.06518	5.7
109.10192	2.6
119.08554	31.6
121.10144	16.0
123.08091	5.2
123.11703	32.5
127.07565	3.8
129.07010	4.1
131.08568	3.8
133.10178	2.9
137.13239	2.6
141.72467	2.4
147.11684	71.2
157.10133	5.5
165.12752	37.8
175.11273	2.9
181.00409	2.6
182.70065	2.6
183.13857	3.2
193.12222	2.8
202.82251	2.4
229.14294	4.0
235.57129	2.4
267.15924	3.2
285.16962	17.7
285.21478	4.5
289.92026	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01878	2.4
55.05509	15.4
57.03438	26.1
57.07051	2.8
65.77031	1.8
67.05502	36.9
68.12389	1.8
69.07062	18.7
69.56858	2.1
70.19242	8.9
70.80554	1.8
71.05005	9.5
79.05498	17.7
81.07053	100.0
83.04968	10.6
83.08599	10.2
85.06538	5.7
91.05476	27.4
91.82079	1.7
93.07023	13.3
95.04971	3.0
95.08594	24.9
97.06545	7.9
98.20799	2.2
99.08063	5.7
101.05994	2.8
105.07018	37.3
107.08614	13.1
109.06509	9.8
109.10163	4.4
111.08064	2.9
113.05998	2.3
115.35651	2.1
119.07800	2.6
119.08587	32.1
121.10154	23.0
123.08059	6.3
123.11698	30.1
127.07539	4.5
129.07018	2.6
131.08565	3.2
133.10130	3.5
141.09077	2.2
145.10135	2.5
147.11688	70.9
157.10152	3.9
160.62834	1.9
165.12741	28.2
171.01486	2.0
173.82527	1.8
175.99915	2.2
183.11810	1.9
183.13766	2.4
191.70926	2.1
229.14209	3.1
234.43542	1.9
235.35590	2.1
265.34650	2.3
285.10910	2.2
285.16879	22.5
285.21814	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02626	5.3
55.05502	21.8
55.42982	4.5
57.03432	40.2
57.07071	5.0
63.00042	6.3
63.24377	5.8
67.05508	37.5
69.03413	6.8
69.07063	16.7
71.04972	13.0
71.58652	5.8
79.05491	37.1
81.02976	9.2
81.03416	100.0
81.07061	62.5
83.04965	14.9
83.08630	43.2
83.15646	5.7
85.02901	76.8
91.05475	65.4
93.07040	30.4
95.04955	38.1
95.08595	26.3
97.06514	9.5
105.07010	42.2
107.04964	7.3
107.08575	20.5
109.06533	7.8
111.04443	7.6
111.08063	15.7
113.06004	10.1
119.08613	36.8
121.10148	18.8
123.11685	6.0
129.06964	10.6
131.08565	17.0
133.10118	15.4
135.44702	5.2
145.10112	8.9
147.11685	31.4
149.05983	41.8
149.09587	7.1
157.10095	19.4
165.12721	7.3
171.01390	17.2
175.11177	21.5
193.12213	76.5
211.13248	64.3
285.11151	11.2
285.16800	35.5
285.22113	10.8
285.30008	6.8
285.33365	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64143	3.6
53.03938	7.3
55.01859	4.0
55.05506	41.1
57.03179	5.8
57.03437	56.7
57.07071	5.3
60.08149	5.1
67.05505	44.7
69.03425	7.1
69.07050	14.4
71.03773	7.7
71.04980	11.1
79.05492	44.7
81.03414	100.0
81.07060	61.8
83.04988	27.4
83.08614	39.7
85.02901	97.2
85.06548	4.2
91.05478	57.4
93.07040	38.1
95.04964	47.1
95.08627	20.9
95.23096	3.4
95.54018	3.5
97.06518	11.1
97.10139	6.7
97.97995	4.9
104.79803	3.8
105.07027	41.0
107.04923	7.5
107.08573	12.7
109.06540	9.6
109.10154	9.8
111.08084	28.2
113.05977	10.1
119.08573	34.1
121.10160	17.6
123.08026	6.4
123.11729	7.7
129.06978	18.0
131.08577	15.3
133.10139	18.3
147.11673	34.1
149.05956	9.9
149.09627	13.7
157.10172	21.0
165.12694	7.9
171.01431	8.1
174.19313	3.6
175.11143	25.1
178.74998	3.8
186.21643	3.9
193.12239	79.1
194.05540	4.0
211.13277	48.6
285.16800	35.9
285.29938	4.3
285.33417	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.5
55.01474	2.5
55.01863	7.4
55.05512	36.2
57.03439	63.7
59.05003	3.6
65.03935	3.0
67.05138	2.6
67.05503	58.6
69.03419	9.3
69.07059	15.9
69.46635	25.2
71.04996	16.6
79.05491	56.6
81.03417	100.0
81.07056	78.1
83.04983	29.3
83.08621	41.2
83.83698	2.5
85.02901	92.8
85.06544	7.9
91.05479	73.2
93.07048	36.9
95.04967	43.5
95.08596	32.6
97.02875	4.6
97.06538	10.8
98.20800	5.5
103.05483	4.0
105.07028	51.6
107.04942	10.0
107.08574	16.6
109.06501	10.2
109.10146	10.4
111.04427	4.2
111.08095	21.4
113.05975	5.9
119.04910	3.0
119.08578	45.0
121.06483	3.3
121.10144	24.0
123.08082	9.3
123.11725	6.2
129.07033	15.9
131.04814	3.1
131.08569	22.1
133.06569	3.6
133.10136	20.9
135.11731	3.1
137.09627	6.7
142.07759	5.5
145.10114	5.6
147.11682	38.5
149.05983	9.1
149.09598	11.5
157.10100	26.7
165.12762	8.9
175.11195	29.8
193.12247	73.7
197.13213	3.0
199.14804	3.7
203.18057	3.1
211.13290	40.4
225.09044	5.3
253.08551	6.2
285.08130	2.8
285.11346	6.1
285.16913	45.7
285.22177	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01871	2.6
55.05508	18.0
56.96546	3.8
57.03196	1.7
57.03438	21.4
57.07058	1.7
59.04982	2.1
63.00046	2.4
65.03937	2.7
67.05501	43.1
69.03413	3.5
69.07068	20.7
71.04978	6.5
79.05495	27.3
81.03415	9.5
81.07053	100.0
83.04966	10.5
83.08632	14.0
85.02866	4.7
85.06537	8.1
88.08183	1.8
91.04913	1.8
91.05476	35.7
91.92162	1.9
93.07036	21.3
95.04965	10.0
95.08603	25.6
97.06522	7.5
97.10178	1.8
99.08085	3.9
101.06030	2.2
105.07020	42.9
107.04969	11.7
107.08595	15.4
109.06518	10.2
109.10165	5.5
111.08070	4.0
113.05991	3.2
115.05444	2.8
117.07014	4.6
119.07790	2.9
119.08582	31.9
121.06484	3.4
121.10152	20.9
123.08059	7.0
123.11700	23.9
129.06990	7.5
131.04877	2.8
131.08549	11.7
133.06570	2.5
133.10133	5.8
137.09619	2.5
137.13260	3.9
142.07811	3.0
143.08592	4.8
145.06474	2.3
145.10089	9.3
147.04341	2.1
147.11685	64.3
148.07562	3.1
149.05984	7.3
155.08493	4.5
156.71817	1.8
157.10115	8.3
159.11716	5.8
160.19803	1.9
161.05916	4.0
163.03900	3.4
165.01894	2.0
165.07010	4.5
165.12735	25.9
171.11688	2.4
173.13170	2.4
175.11159	4.7
179.07036	2.4
183.02840	3.0
183.13750	2.1
187.14854	3.2
193.12245	8.4
197.13330	2.8
210.06622	2.7
211.13264	5.5
221.05942	2.5
225.09067	6.3
225.16371	2.3
229.14247	4.0
243.11383	3.5
253.08582	7.4
267.10089	2.9
267.15796	2.9
267.21140	4.6
285.07614	5.6
285.11298	12.0
285.16833	24.9
285.21732	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05513	16.3
56.96563	2.1
57.03435	22.1
61.41704	1.9
67.05505	36.1
69.03414	3.6
69.07065	20.6
70.01694	4.4
70.02091	8.8
71.04631	2.8
71.04990	6.6
79.05487	24.9
81.03413	10.3
81.07055	100.0
83.04979	9.0
83.08604	10.7
85.02889	4.9
85.06513	7.0
91.05478	30.4
93.07043	20.7
95.04953	5.8
95.08596	25.0
97.06535	11.9
97.10101	2.3
97.80865	2.2
98.21520	2.6
103.05437	3.0
105.07028	38.1
107.04931	3.9
107.08603	13.7
109.06499	8.3
109.10117	4.2
113.06044	2.7
117.07015	3.3
119.08580	31.9
121.10143	18.8
123.08076	5.5
123.11694	28.7
129.06993	4.5
131.04889	2.9
131.08542	4.3
133.10121	5.9
135.04395	2.0
135.69246	2.0
136.08815	2.8
137.13257	3.8
143.08557	2.8
145.06500	4.0
145.10107	4.7
147.11674	65.8
148.12029	2.4
149.05922	5.6
157.10081	5.8
159.04385	2.5
161.06003	4.1
161.13126	3.0
163.07556	2.7
164.07941	2.9
165.06953	2.2
165.08206	2.6
165.12743	33.9
169.10159	3.1
171.11580	2.6
173.05957	2.6
175.11179	3.2
183.13835	2.4
193.12225	7.7
199.14749	2.1
225.09180	3.6
229.14273	4.1
243.11261	8.1
253.08612	5.5
256.24066	2.5
267.21118	3.6
269.89896	2.1
285.07733	3.4
285.11435	8.1
285.16861	25.9
285.22006	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.4
55.01871	7.4
55.05507	21.4
55.45180	2.3
57.03440	16.7
57.07077	2.7
60.77128	2.2
63.00034	3.2
65.03941	5.7
67.05182	2.7
67.05505	40.4
69.03411	6.1
69.07063	21.7
69.45305	22.9
71.04987	7.4
79.05492	31.6
80.54300	2.2
81.03423	11.5
81.06586	5.0
81.07055	100.0
83.04969	10.5
83.08627	11.8
85.02899	5.5
85.06516	8.3
88.09270	2.3
91.05474	62.0
93.07044	26.6
95.04971	11.4
95.08600	24.7
97.06513	9.4
98.21532	4.3
98.98462	4.0
99.08099	5.5
103.05444	2.9
105.07023	44.4
105.65743	2.3
107.04968	5.5
107.08603	19.1
109.06516	7.4
109.10136	8.7
111.08070	4.0
111.26705	2.8
112.35889	2.3
115.05445	2.6
117.07018	6.6
119.04935	22.2
119.08576	30.8
121.06416	3.3
121.10133	29.9
122.58643	3.2
123.04417	7.7
123.08067	4.7
123.11713	24.1
127.07650	3.0
128.06160	4.6
129.07001	4.5
131.04930	3.6
131.08548	9.5
132.74776	2.5
133.10115	7.8
135.11618	3.2
137.13217	3.0
142.07805	4.1
143.08597	6.3
145.06468	4.0
145.10127	9.8
147.04416	4.8
147.08075	2.9
147.11690	77.4
149.04805	3.1
149.05974	60.2
155.08549	4.2
157.10107	13.8
159.08008	3.2
159.11653	10.3
161.06058	2.9
161.09570	4.4
163.07516	8.1
165.05527	3.1
165.06886	4.3
165.12724	32.6
169.06529	3.2
171.08060	3.0
171.11659	4.5
173.13242	6.1
175.07469	4.5
175.11165	6.1
179.08495	2.8
183.11630	5.4
183.13855	3.6
185.13202	3.6
187.14806	3.0
189.78673	2.8
193.06453	3.2
193.12227	8.8
197.13309	3.6
199.14857	5.2
210.06644	2.5
211.07361	4.1
211.14937	3.2
213.16469	3.2
221.06023	3.6
225.09062	7.4
225.16415	3.3
227.17812	4.8
243.11406	5.5
253.08551	10.5
257.08087	3.0
267.10199	10.3
267.21127	5.7
285.07840	4.2
285.11298	23.9
285.17001	18.2
285.21854	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01864	2.9
55.05513	18.0
57.03442	21.1
67.05177	2.6
67.05503	34.8
69.07065	20.6
70.30724	9.2
71.04987	8.2
71.16466	1.7
77.41106	2.3
79.05488	22.9
80.21702	1.9
81.03421	17.6
81.07055	100.0
82.07314	2.3
83.04980	11.0
83.08603	13.8
85.02899	6.8
85.06517	6.5
85.74001	1.9
88.65278	1.8
91.05477	37.2
93.07043	13.6
95.04954	8.9
95.08611	19.5
97.06519	11.7
99.08087	4.9
101.10445	2.0
103.37052	2.3
105.07030	40.8
107.04946	3.6
107.08609	14.5
109.06509	7.1
109.10126	5.4
111.08056	3.5
113.05968	2.4
117.07008	3.3
119.08580	31.8
121.10139	24.7
123.08057	9.9
123.11707	28.0
127.07571	3.1
129.06993	4.3
131.08572	4.6
133.10100	7.5
143.08488	2.5
144.03508	2.4
145.10107	5.4
147.10504	3.5
147.11681	73.7
149.05991	5.4
149.09668	2.8
157.10129	12.3
159.11670	3.0
163.07527	3.1
165.06970	3.3
165.12766	31.8
169.10051	3.5
175.11169	7.0
187.14822	2.9
193.12225	15.9
197.13225	2.0
199.14813	2.4
211.13234	4.7
225.09113	2.9
229.14296	4.4
253.08635	5.1
267.16058	4.1
285.07846	2.4
285.11523	4.1
285.14090	2.0
285.16965	32.6
285.22083	5.9
286.07773	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.0
57.03438	23.2
62.21429	1.8
65.03914	2.2
67.05502	31.7
69.07066	17.8
70.73758	7.1
71.04979	4.5
74.68040	1.6
79.05485	20.6
81.07056	100.0
83.04990	9.7
83.08613	10.1
85.06541	7.6
91.05474	30.9
93.07024	10.6
95.04968	3.1
95.08607	20.8
97.06541	9.9
99.08059	5.0
105.06307	2.4
105.07014	33.0
107.08615	11.6
109.06519	5.4
119.04950	6.7
119.08577	25.2
121.10150	18.4
123.08051	4.7
123.11704	31.4
127.07493	4.0
133.10054	2.8
137.13338	1.7
141.09088	1.9
141.52098	2.0
147.11688	78.9
149.05997	19.0
157.10129	5.3
165.12727	38.0
183.13799	2.0
193.12256	2.3
206.21429	1.8
229.14304	4.5
247.03764	1.8
267.15918	3.0
285.16956	27.9
309.54819	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01867	4.2
55.05515	23.7
56.72782	3.9
57.03444	22.3
67.05505	40.1
69.03428	6.1
69.07066	28.1
70.86944	8.2
71.04989	5.7
75.75465	3.7
79.05490	24.9
81.03412	36.0
81.07053	100.0
83.04954	6.6
83.08625	18.0
85.02910	14.0
85.06549	5.2
91.05472	39.0
93.07033	12.6
95.04970	21.2
95.08615	29.0
97.06511	6.2
97.11179	3.3
99.08080	6.7
105.07020	40.5
107.08591	15.6
109.06536	7.0
111.08079	8.2
119.08568	34.2
121.10138	27.3
123.08077	7.2
123.11710	36.1
129.07025	8.3
131.08545	4.3
133.10149	9.9
147.11688	74.3
147.12810	6.2
149.13330	3.3
157.10141	11.2
165.12723	32.8
175.11189	7.9
193.06563	3.7
193.10699	4.0
193.12206	25.5
211.13229	8.4
253.08649	5.4
258.84387	3.4
267.10339	4.9
267.15884	5.0
285.11258	5.2
285.16974	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01870	2.7
55.05513	10.5
57.03439	12.2
57.07069	1.3
58.49115	1.0
67.05505	20.4
69.03423	2.9
69.07065	6.8
69.85217	7.2
70.06588	5.4
71.04989	5.4
71.06925	1.4
77.37354	1.1
79.05486	18.9
81.03415	100.0
81.07053	22.8
82.03723	1.2
82.09466	1.1
83.04965	7.3
83.08618	19.7
85.02901	12.7
85.06537	2.3
91.05479	21.8
93.07037	13.7
95.04964	31.5
95.08611	10.5
97.02866	2.3
97.06538	3.6
97.10152	1.4
99.08099	1.3
105.07025	15.0
107.04947	7.4
107.08582	7.0
109.06528	3.8
109.10146	5.2
111.04440	2.8
111.08067	10.9
111.16866	1.2
112.07597	2.2
112.42900	1.1
113.06016	1.0
113.07920	1.6
115.05436	2.1
117.07026	2.3
119.08588	15.2
121.10136	9.5
123.08079	1.6
123.11671	1.4
128.06235	2.0
129.07004	10.2
131.08565	10.2
133.06490	3.2
133.10167	7.4
135.11737	1.2
137.09590	2.4
138.48474	1.3
142.07767	4.0
143.08556	2.0
145.10155	2.6
147.08014	3.2
147.11665	11.1
149.09651	4.7
155.08585	1.5
156.09425	1.4
157.10123	12.6
159.11696	1.8
161.13266	1.3
165.07068	2.0
165.12782	3.7
169.10118	2.0
171.11662	2.6
175.11200	12.2
185.13203	1.2
193.12228	39.1
199.14828	2.3
210.06676	1.6
211.07649	1.7
211.13289	8.7
215.40031	1.2
221.05948	1.4
225.09093	3.5
228.10478	1.2
239.07179	1.5
253.08556	3.4
257.08084	1.5
267.06607	2.1
267.09937	1.8
267.15942	6.8
285.04077	1.8
285.07678	2.9
285.11758	3.5
285.16965	4.4
285.22247	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99036	0.9
51.43954	1.1
53.03936	3.3
55.01857	4.9
55.05510	14.7
57.03437	18.4
62.57281	1.0
65.03925	2.0
66.92587	1.1
67.05502	29.2
69.03419	6.3
69.07063	7.2
69.72626	4.5
69.73043	3.4
70.06589	6.5
71.05002	7.4
71.06922	2.3
79.05491	25.5
81.03416	100.0
81.07053	35.0
83.04987	10.3
83.08617	22.2
85.02897	23.5
85.06511	3.3
91.05476	30.6
93.07041	20.7
94.07407	1.0
94.94837	1.1
95.04967	34.7
95.08607	15.7
97.02894	3.1
97.06525	4.8
97.10177	3.8
98.20767	1.2
98.98473	1.2
99.08086	2.5
105.07021	22.6
105.07687	2.0
107.04967	11.8
107.08600	9.6
109.06538	5.9
109.10140	6.5
111.04424	3.7
111.08068	11.0
112.07616	2.5
113.06026	2.7
113.07890	1.5
115.05447	2.2
117.06996	3.7
119.04967	1.1
119.08579	18.8
121.02805	1.4
121.06479	3.5
121.10138	11.1
123.04392	2.7
123.08047	2.6
123.11684	3.4
125.05998	1.6
125.09601	2.3
128.06235	1.3
129.07014	11.2
131.04941	3.3
131.08569	12.0
133.06473	3.1
133.10138	10.5
134.99763	1.2
135.04416	1.2
135.08052	2.1
135.11690	2.6
137.05942	1.9
137.09627	1.7
141.06982	2.7
142.07755	2.9
143.08539	1.7
145.10129	3.4
147.04376	2.1
147.08034	3.2
147.11687	13.6
149.02278	1.6
149.09605	5.8
149.13246	2.8
151.07518	1.8
151.11150	1.9
153.06889	1.3
155.08583	2.2
157.10121	14.2
159.11700	1.9
161.05957	1.5
163.11133	1.7
165.06961	3.8
165.12770	4.8
167.03381	3.5
171.11687	3.2
173.05948	2.4
175.11165	16.1
181.06529	1.7
181.24167	1.2
185.13191	1.6
193.06496	1.8
193.12242	42.9
197.06001	1.3
197.13280	2.0
199.14761	3.1
211.07462	2.8
211.13264	17.8
213.16310	2.1
221.05881	1.4
225.09151	3.3
229.14207	1.3
239.06963	3.3
242.05864	1.1
242.08319	1.1
249.18539	1.6
253.08595	6.4
255.06564	2.9
257.08057	1.6
267.06540	4.2
267.10281	4.6
267.15909	7.1
267.21506	1.7
285.04086	3.0
285.07626	5.7
285.11569	5.2
285.16922	12.7
285.22223	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
55.01862	9.1
55.05505	26.5
56.96576	3.0
57.03432	37.3
57.07058	3.0
60.05532	2.6
63.00034	4.8
67.05173	4.6
67.05505	68.7
68.99791	3.9
69.03420	11.5
69.07073	19.0
70.06572	6.7
70.91897	7.2
70.92249	5.7
71.04991	22.2
73.02904	3.8
79.05486	53.6
80.93839	2.6
81.03416	100.0
81.07056	70.8
83.04993	17.7
83.08615	36.5
85.02900	51.1
85.06528	11.2
87.04456	2.8
89.65953	2.9
90.41956	3.6
91.05472	53.6
93.07048	48.9
95.04974	44.2
95.08600	43.1
97.02919	4.5
97.06530	13.7
97.10151	7.2
98.97554	3.6
98.98438	3.9
99.08096	6.1
100.11225	3.2
105.07019	45.9
107.04987	16.4
107.08588	27.1
109.06502	9.6
109.10136	18.6
111.04420	6.0
111.08087	24.7
111.85357	2.5
113.05992	7.7
115.05438	6.7
116.86287	2.8
116.98601	6.3
117.07018	11.5
119.08568	40.8
121.02899	5.4
121.06506	8.7
121.10137	26.6
123.08035	6.0
123.11693	8.1
129.06998	18.5
131.04874	4.0
131.08585	27.7
133.06487	7.6
133.10159	25.8
134.99675	3.7
135.08061	7.0
135.11702	10.8
137.05922	4.6
137.09619	4.6
138.34895	2.8
142.07822	5.3
143.08540	4.8
145.06483	5.2
145.10103	10.6
147.08084	4.9
147.11691	30.1
149.02342	4.7
149.09607	10.8
149.13271	6.6
151.11226	5.0
155.04901	6.5
157.10126	29.4
159.11662	4.2
161.05980	9.5
161.09724	3.6
165.06992	17.9
165.12726	6.3
173.05992	7.7
173.13264	3.5
175.11191	22.7
175.14793	5.2
182.07303	5.2
183.04364	3.1
183.08110	3.0
187.14813	4.4
189.16441	4.0
193.06430	13.2
193.12250	70.5
196.54549	2.9
201.05428	9.4
203.17992	4.3
209.05956	3.6
210.06760	8.0
211.07487	5.5
211.13283	39.6
213.16434	5.5
214.21237	2.9
221.06036	13.8
224.08411	3.2
225.09099	28.2
229.04996	27.2
231.17537	3.4
232.99620	3.2
239.06990	11.3
242.05684	3.8
249.18565	7.2
253.08589	31.4
255.06377	3.1
257.04459	17.2
257.07999	4.4
267.10187	9.3
267.16006	7.3
267.19525	4.1
285.03949	56.9
285.07480	7.8
285.11050	30.0
285.16812	27.0
285.22122	10.0
286.04510	3.4
286.08401	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01865	9.3
55.05513	30.0
57.03436	54.3
57.07054	3.3
61.09255	2.4
65.03922	4.0
67.05499	50.9
69.03426	7.5
69.07061	16.1
70.86459	6.2
71.05000	14.4
79.05490	50.9
81.03413	100.0
81.07048	62.9
83.04977	18.7
83.08616	39.7
83.43733	2.3
85.02901	85.0
85.06537	6.0
91.05480	54.7
93.07034	32.7
95.04961	47.2
95.08597	28.3
97.02879	5.8
97.06520	7.5
97.10180	4.4
103.83811	2.2
105.06380	4.4
105.07026	41.6
107.04946	12.0
107.08580	14.9
109.06522	9.9
109.10166	8.3
111.04441	4.4
111.08067	21.4
113.06020	7.3
115.05424	3.8
117.07007	4.5
119.08572	36.9
121.06477	4.2
121.10124	21.3
123.08037	4.7
123.11705	5.5
125.09560	3.2
129.07016	16.4
131.08559	16.8
133.06441	3.9
133.10121	19.1
135.11627	3.6
142.07808	4.3
145.10147	2.8
146.03575	2.0
147.08032	4.4
147.11682	35.1
149.05988	3.2
149.09618	11.4
154.07764	2.4
157.10112	25.2
165.12746	7.1
169.10188	2.9
175.11195	27.5
193.12233	80.3
196.21213	2.3
197.09595	2.6
211.13286	43.9
225.09033	3.0
249.18700	3.4
253.08604	5.2
255.06528	3.1
266.89255	2.1
267.15952	5.3
285.11441	2.4
285.16953	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01859	3.1
55.05507	22.2
57.03436	35.3
67.05171	2.6
67.05502	26.6
69.03410	5.8
69.07072	9.6
69.52509	9.2
69.52950	8.3
71.04977	7.7
79.05483	28.4
81.03412	100.0
81.07048	38.6
83.04981	12.1
83.08607	31.2
85.02898	60.6
85.06532	2.9
91.05473	40.0
91.59914	1.9
93.07034	22.0
94.36623	2.0
95.04958	37.8
95.08602	13.9
97.02892	4.5
97.06511	5.1
97.10149	5.9
99.04386	2.1
105.07014	27.9
107.04943	6.6
107.08609	9.5
109.06484	7.0
109.10131	4.0
111.08080	17.8
113.06025	6.2
119.04913	5.0
119.08573	22.1
121.06470	3.2
121.10136	12.4
123.08026	4.3
123.11683	2.5
125.03322	1.9
129.06990	10.5
131.08565	10.9
131.09373	2.2
133.06491	4.3
133.10092	9.1
135.44963	1.9
137.09601	2.1
138.22757	2.0
142.07828	4.4
147.08020	3.9
147.11667	27.0
149.05917	12.9
149.09612	7.9
157.10114	16.4
159.11559	1.9
165.12720	5.9
172.32484	2.1
175.11168	21.1
183.08154	2.1
193.12231	77.3
211.13260	44.5
229.14359	3.0
267.15839	4.0
274.61383	2.5
285.11169	2.9
285.16867	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05499	1.4
57.03432	1.5
63.00026	1.1
65.03934	3.2
67.05500	2.7
69.07066	1.4
70.18423	1.3
70.18829	2.1
78.04709	0.5
79.05507	2.5
81.03413	1.6
81.07056	4.0
83.05022	0.7
85.02881	0.6
89.03905	0.7
91.05482	46.9
93.07050	1.7
95.04955	2.3
95.08595	1.5
98.98470	0.9
103.05468	0.8
105.03368	1.5
105.07034	2.9
106.04182	1.3
107.08624	0.6
119.04944	33.2
119.08562	1.8
121.06535	0.7
121.10130	0.8
123.04439	2.6
123.11707	0.9
133.06491	1.0
134.99597	0.6
137.06064	0.5
147.11681	2.0
149.05983	100.0
150.06369	0.6
157.10129	1.1
159.11696	0.7
161.06081	0.7
163.07558	1.8
165.12822	1.0
166.80009	0.5
173.05925	0.7
175.07573	0.6
175.11163	0.6
193.12242	1.3
211.13200	0.6
243.11206	0.5
253.08635	0.7
285.07886	1.0
285.11316	4.1
285.16766	0.7
285.22012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06491	0.5
53.03943	0.5
54.57278	0.5
55.05506	2.7
57.03417	2.0
57.07069	1.4
65.03937	3.5
67.05511	3.5
69.07060	2.0
70.06578	1.5
71.57996	0.7
79.05479	2.2
81.03409	2.4
81.07054	5.3
83.04962	0.5
83.08605	1.3
85.02912	2.8
88.07611	1.7
89.03883	0.5
91.05477	48.0
93.07039	2.2
95.04973	2.8
95.08598	2.3
97.06525	0.5
98.98462	1.1
102.09195	1.2
105.03390	1.0
105.07027	4.2
106.04155	1.6
107.08554	1.3
109.06536	1.2
109.10165	1.1
110.48856	0.5
111.08053	1.1
117.07024	0.9
119.04938	33.7
119.08581	2.9
121.06467	1.1
121.10143	2.2
123.04434	3.2
123.08082	0.7
123.11726	1.0
129.07016	1.1
131.08582	1.0
133.10126	1.5
134.99597	0.6
135.08018	0.7
135.11751	0.5
142.07738	0.6
143.08540	1.3
145.06407	0.5
145.10121	1.5
147.08073	0.5
147.11725	3.2
148.17570	0.7
149.05974	100.0
157.10136	2.3
159.11676	1.6
160.97626	0.6
163.07510	2.4
165.12779	0.8
169.10051	0.7
171.11652	1.2
173.09618	0.8
173.13199	1.0
175.07491	0.5
175.11139	0.8
183.11664	0.7
193.12244	2.5
199.14828	0.9
211.13290	1.7
227.06981	0.7
229.12196	0.8
257.19080	0.6
267.06729	0.5
284.29477	3.8
285.11206	6.6
285.18372	2.7
285.21863	1.0
285.29691	3.9
302.76013	0.6
309.62436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01868	0.6
55.05509	0.5
56.96561	0.5
57.03422	0.6
63.00040	0.5
65.03935	3.0
67.05502	1.4
69.07068	0.6
69.55081	0.2
71.04977	0.3
77.90660	0.2
78.04728	0.5
79.05492	1.4
81.03404	1.2
81.07045	2.3
83.04977	0.5
83.08624	0.4
84.96036	0.3
85.02935	0.3
85.06564	0.3
91.05477	48.7
92.05785	0.4
93.07032	1.4
95.05000	1.7
95.08595	0.8
98.21513	0.6
98.98419	0.3
103.05489	0.3
105.03382	1.0
105.07030	2.1
106.04185	1.6
107.04962	0.6
107.08613	0.4
109.06538	0.5
111.08103	0.4
115.05411	0.3
116.98476	0.9
117.03373	0.5
117.07010	0.4
119.04939	35.4
119.08588	0.8
120.05249	0.3
121.06509	0.8
121.10107	0.4
123.04426	3.1
123.08002	0.4
123.11666	0.5
125.94052	0.3
128.98422	0.5
129.07013	0.4
131.00020	1.7
131.08577	0.6
133.06519	0.4
137.05984	0.6
140.98447	1.3
143.00002	1.2
143.08562	0.3
145.10117	0.5
146.99525	0.3
147.04361	0.3
147.11690	1.1
149.05975	100.0
150.06310	0.8
151.07495	0.4
155.00049	0.3
157.01564	0.4
157.10115	0.7
161.01089	0.5
161.05956	0.6
163.07539	2.3
165.06953	0.4
165.12698	0.4
171.11662	0.4
173.06001	0.6
174.99031	1.7
175.11089	0.4
182.38484	0.3
183.11713	0.5
185.01057	0.9
189.00575	3.4
193.12257	0.9
196.43596	0.3
203.02147	1.7
211.13326	0.3
217.03770	0.3
221.05948	0.4
225.09084	0.7
239.05763	0.3
243.11215	0.4
253.08527	0.6
259.12350	0.3
267.24173	0.4
285.06314	1.6
285.11148	2.5
285.18546	0.4
285.22107	0.6
285.25272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65037	0.6
57.03433	0.7
58.18352	0.6
65.03947	3.5
70.83523	2.1
73.18266	0.7
79.05464	0.9
81.07080	0.8
81.58335	0.8
91.05476	44.4
95.04943	0.9
95.08615	1.4
105.03400	1.6
105.07042	1.2
106.04169	1.3
119.04935	36.3
123.04422	4.2
149.05974	100.0
163.07539	3.2
175.77367	0.7
202.05197	0.7
285.11160	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	(-)-Cryptoresinol
Peak:m/z	Relative Intensity
51.02379	0.9
51.14027	0.6
53.03937	1.9
55.01863	2.3
55.05515	3.4
57.03428	2.3
57.07059	0.8
58.73714	0.5
63.00024	0.8
64.45599	0.5
65.03918	0.8
67.05505	10.3
69.03143	0.6
69.03432	8.0
69.07055	2.7
69.97733	0.7
70.06583	1.4
71.04990	3.6
79.05496	8.3
81.03416	21.1
81.07050	7.7
83.04982	1.7
83.08611	4.4
85.02883	1.0
85.06532	2.1
86.09687	1.0
91.05486	8.0
93.07036	5.8
95.01295	0.8
95.04965	7.1
95.08607	4.6
97.06516	2.0
97.10192	0.9
99.08100	0.7
103.05469	5.4
105.07018	5.2
107.04956	25.4
107.08588	3.9
109.02934	0.6
109.06480	0.7
109.10123	1.8
111.08097	3.3
115.05446	2.0
116.07072	0.7
117.06989	3.8
119.04924	2.0
119.08575	4.4
121.02806	1.4
121.06491	2.2
121.10142	4.0
123.04417	6.4
123.11697	0.8
126.04752	0.7
128.06232	1.7
129.06996	2.2
131.04922	63.1
131.08530	2.6
132.05682	2.3
133.06476	2.0
133.10115	2.4
135.11694	3.5
137.05939	1.4
137.09555	0.9
137.64946	0.6
141.06982	1.3
142.07695	1.1
143.08559	1.8
145.06487	5.5
145.10153	0.7
147.04399	1.8
147.08066	1.3
147.11650	2.4
149.05968	9.0
149.09575	1.6
149.13225	1.0
151.11330	0.6
152.06264	0.8
153.06993	2.1
153.12675	0.8
155.04956	1.5
155.06078	0.7
157.06483	2.8
157.10089	2.2
161.05965	1.1
161.09578	0.6
165.06979	2.6
168.05835	0.7
169.06596	0.8
171.08046	6.9
173.04446	0.9
173.05977	17.8
174.06566	0.8
175.11180	2.4
178.07764	3.2
181.06427	3.6
182.07263	1.6
183.08073	2.0
189.16339	2.4
193.06595	0.7
193.10178	2.4
193.12256	6.2
195.08034	1.5
196.08778	2.6
197.09554	0.8
199.07521	4.0
202.07828	2.9
203.08539	1.7
205.06505	1.0
206.07245	1.9
207.08083	0.8
210.06738	3.1
211.07523	1.7
211.11205	1.8
211.13136	1.1
220.08849	0.9
220.91840	0.7
221.06059	1.0
221.09569	3.3
223.07559	0.9
224.08307	2.8
225.09055	2.2
234.06798	0.9
238.06334	0.8
239.07033	1.0
239.10590	7.9
249.09181	4.4
249.18419	1.4
252.07751	4.8
253.08574	1.8
257.04489	0.9
266.09329	0.7
267.10156	100.0
267.16061	2.2
268.10541	1.7
284.29291	0.9
285.03848	1.7
285.07916	1.3
285.11130	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Damnacanthol
Peak:m/z	Relative Intensity
53.00295	1.0
55.01870	0.9
55.05502	0.8
57.03433	0.4
63.00026	0.8
65.03937	7.6
67.05495	1.4
68.99783	0.7
69.07058	0.9
71.08623	0.4
71.57952	0.5
71.58665	0.3
79.05475	1.4
81.03411	1.1
81.07062	2.1
81.07478	0.3
83.04955	0.6
83.08603	0.6
85.02904	0.7
91.05459	0.9
93.03402	4.7
93.07039	0.5
95.01310	0.7
95.04958	1.0
95.08621	0.6
98.98489	0.4
103.01839	0.5
105.06994	1.1
107.04949	0.5
107.08594	0.4
109.06499	0.5
109.10245	0.5
111.04416	1.0
111.08094	0.4
115.05404	0.5
119.08580	1.0
121.02866	3.6
121.10118	0.5
123.11663	0.6
129.07033	0.5
131.01283	7.6
131.08519	0.5
135.04402	2.7
137.05971	2.0
141.07013	2.6
145.10213	0.4
147.04352	0.7
147.11673	1.3
149.02328	12.2
149.06033	0.6
151.07506	1.2
151.67865	0.4
152.06192	0.7
153.07002	1.0
155.08559	0.8
157.10161	0.5
159.11699	0.5
163.03860	0.5
165.06992	4.0
165.12616	0.6
166.07671	0.6
167.03398	74.1
168.03712	0.9
169.06480	0.6
171.04427	3.2
181.06535	0.5
183.08093	0.6
184.44598	0.4
193.12221	1.0
197.05942	1.8
200.01694	0.5
210.06822	0.6
211.07538	4.5
213.05461	5.0
221.05969	0.9
225.05450	2.2
226.06273	0.5
239.07036	4.4
243.06490	1.9
267.06516	100.0
268.06839	2.9
285.07507	1.6
285.10599	0.6
285.18552	0.7
285.22025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	(-)-Cryptoresinol
Peak:m/z	Relative Intensity
51.69082	0.5
53.03950	1.3
55.01875	1.2
55.05511	2.3
57.03424	1.6
65.03950	0.5
67.05495	5.9
69.03426	6.9
69.07058	1.5
71.04974	2.1
79.05491	4.5
81.03417	14.6
81.07054	4.3
82.28854	0.6
83.04980	1.1
83.08598	2.3
85.02885	1.2
85.06536	0.9
91.05476	5.3
93.07045	4.1
95.01322	0.8
95.04971	6.3
95.08595	2.5
96.39721	0.8
97.02915	0.7
97.06525	0.8
103.05479	4.9
105.07012	2.6
107.04955	24.5
107.08593	2.3
109.10136	1.6
111.08053	1.1
115.05460	0.9
117.07030	3.2
119.04929	2.3
119.08556	2.8
121.02843	1.2
121.06512	1.4
121.10126	2.5
123.04433	4.7
127.05470	1.0
128.06172	1.3
129.06966	1.3
131.04924	65.5
131.08528	1.6
132.05707	1.9
133.06471	2.6
133.10138	2.3
135.04433	0.6
135.11679	1.4
137.05969	1.2
141.06956	1.2
143.08530	1.4
145.06477	4.5
145.10086	0.9
147.04407	1.7
147.11714	1.5
149.05969	9.8
149.09615	0.8
153.06981	1.4
155.04869	1.2
155.08571	0.8
157.06483	2.3
157.10104	1.7
161.05952	0.9
161.09630	0.7
165.07013	2.8
169.06459	1.0
169.10133	0.7
170.09703	0.8
171.08035	8.0
173.05988	17.4
174.06711	1.1
175.11171	2.1
175.83765	0.6
178.07750	3.0
179.08466	0.8
181.06502	2.8
181.10147	0.9
182.07233	1.8
183.08026	1.9
193.10158	2.7
193.12236	3.9
194.07198	0.8
195.08058	1.9
196.08841	2.2
197.05937	1.0
199.07451	3.9
202.07765	3.0
203.08597	1.5
205.06487	0.7
206.07283	1.7
207.08080	1.4
210.06737	2.7
211.07509	1.5
211.11137	2.0
211.13133	0.9
220.08765	1.0
221.09554	3.9
224.08282	2.9
224.74007	0.7
225.09030	0.9
231.08067	0.7
234.06732	1.5
239.07060	1.6
239.10631	7.8
239.97267	0.6
249.09041	4.0
249.18428	0.8
252.07701	3.7
253.08722	1.3
267.10153	100.0
268.10440	1.6
285.04114	1.4
285.07837	0.8
285.11121	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	Isoguanosine
Peak:m/z	Relative Intensity
55.01851	0.8
55.05503	1.2
56.05013	0.9
56.96558	4.2
57.03426	1.4
57.23723	0.7
60.04501	0.9
61.02918	0.9
63.00048	0.7
65.03898	0.7
67.01807	0.8
67.05516	0.6
67.11154	0.7
69.03426	3.2
69.07069	1.7
69.61863	1.3
69.62273	3.8
70.02917	0.7
70.06591	7.1
71.01310	0.6
71.04974	0.7
72.08140	1.3
72.85711	0.7
73.02919	1.7
76.46266	0.6
77.34335	0.7
79.05467	0.6
80.04994	1.0
81.03407	0.9
82.04898	0.6
83.06074	0.7
83.86481	0.7
84.08128	2.7
85.02860	3.6
86.09687	1.8
86.97603	0.6
95.04972	0.7
96.08128	0.9
97.02896	2.8
97.03977	1.2
98.97578	3.0
99.04456	0.8
107.04967	0.9
107.08710	0.7
109.02870	0.8
110.03532	2.1
110.07126	1.6
111.04410	1.2
116.07066	1.4
116.98635	2.6
121.02906	1.0
127.03944	1.1
128.04556	1.7
128.07080	0.8
134.04652	0.7
134.06024	0.7
134.99643	2.5
135.02974	1.4
136.06168	2.9
140.88203	0.7
141.10243	1.0
142.06145	0.8
145.05016	0.7
146.07947	0.7
146.99683	1.1
147.04332	0.8
152.05672	100.0
153.04076	9.8
155.04608	1.0
163.03877	1.5
165.00778	1.1
167.08398	1.0
169.09784	1.1
177.00671	1.3
193.10023	0.7
219.81683	0.7
233.92731	0.6
237.02849	1.1
238.11801	0.7
248.63632	0.6
256.12958	1.5
269.07840	0.7
273.23090	0.7
284.29501	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
55.05509	17.5
57.03427	2.5
57.07061	7.2
65.03928	4.7
65.13565	2.4
66.67171	2.8
67.05506	25.1
69.03422	5.5
69.07076	16.1
71.04958	3.3
71.32043	5.8
79.05500	20.8
81.07058	39.7
83.04971	6.8
83.08602	9.4
91.05490	26.9
93.07049	36.2
95.04976	17.0
95.08613	31.6
97.06516	6.7
97.10165	3.1
105.06396	4.1
105.07040	61.3
107.04951	6.4
107.08604	35.8
109.06506	8.9
109.10160	15.7
111.08096	3.1
117.06994	12.7
119.08611	32.5
121.06519	16.0
121.09332	4.0
121.10154	75.7
123.08051	5.6
123.11693	11.9
128.06186	4.3
129.06990	9.6
131.04880	3.4
131.08577	33.2
133.10143	26.7
135.08034	12.6
135.11696	8.2
141.06947	2.6
142.07782	7.5
143.08556	21.8
144.09328	3.7
145.06516	5.2
145.10127	34.1
147.08044	2.9
147.11682	13.9
149.13242	3.1
155.08522	5.8
156.09341	6.5
157.10121	25.4
158.10913	10.7
159.08054	6.5
159.11642	14.8
161.09636	23.7
161.13330	7.0
163.11218	6.9
165.07042	7.2
166.50060	2.7
167.08521	3.0
169.06389	2.6
169.10118	8.9
171.08060	3.9
171.11751	18.8
173.09618	8.5
173.13283	61.1
174.06764	3.3
175.11194	7.9
175.14839	4.9
179.08566	8.4
181.10054	6.8
182.10818	2.9
183.11703	9.1
185.09613	7.9
185.13168	15.5
187.14783	6.6
189.12680	3.6
191.14302	5.9
193.10172	6.2
194.10934	7.7
195.11685	15.0
197.13313	4.2
199.11211	5.1
199.14827	11.5
201.16408	5.7
208.12498	7.6
209.13242	18.7
210.14061	3.5
211.14714	3.5
213.12778	9.2
213.16331	5.8
221.03883	3.0
221.13303	3.8
223.14833	10.3
225.16394	8.2
227.14311	9.3
241.15829	4.1
250.17065	3.3
255.10130	5.8
255.21092	6.9
265.19550	36.4
267.00406	3.0
283.06345	3.4
283.09662	10.3
283.20554	100.0
284.21255	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01870	13.1
55.05506	23.7
56.46014	1.4
57.03433	20.7
57.07061	3.6
59.04983	2.1
65.03927	3.9
67.05179	2.5
67.05503	34.4
69.03428	4.5
69.07076	17.0
70.06585	4.0
71.04993	7.0
71.58557	2.6
73.02899	2.3
79.05488	48.3
81.03414	9.3
81.06585	2.1
81.07051	40.2
83.01324	2.9
83.04978	14.6
83.08604	13.9
85.02888	4.4
85.06533	3.8
91.05473	21.1
93.07038	64.9
95.04961	20.7
95.08596	60.0
97.02881	8.3
97.06529	8.4
97.10167	3.7
99.04449	6.6
99.47914	1.3
105.07011	17.2
107.04942	17.5
107.08578	45.3
109.06506	6.7
109.10162	9.4
111.04449	6.0
111.08064	5.2
111.29344	1.3
111.64625	1.3
112.07587	3.3
113.05981	1.9
115.05439	2.4
117.07022	18.6
119.08595	18.1
120.08041	1.6
121.02856	34.6
121.06490	10.5
121.10137	23.8
123.08060	4.7
125.05986	5.8
129.06987	2.1
130.07759	3.7
131.04933	1.8
131.08595	2.6
133.06456	1.5
133.10078	5.0
135.08018	4.5
135.11682	73.4
136.11992	1.6
137.09644	2.2
139.03880	3.1
139.07512	2.9
141.07014	1.7
143.08485	3.0
145.06575	1.7
145.10110	40.0
147.04425	2.6
147.11687	1.8
149.09610	1.8
149.13344	1.4
153.06944	1.5
153.12759	8.6
155.08577	1.7
157.10063	3.2
159.11682	2.7
163.11171	95.4
165.06990	1.5
173.09630	2.9
178.04987	2.9
181.12216	26.0
191.10585	2.1
194.10950	1.7
195.07950	1.7
195.11638	1.8
209.11658	2.8
214.25647	1.4
223.07365	1.8
227.12761	100.0
228.13040	1.4
255.06476	1.7
255.11261	1.5
283.06213	2.5
283.09949	7.1
283.15381	23.5
283.20517	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38784	3.0
55.01861	9.0
55.05499	19.3
57.03436	15.5
57.07067	3.8
57.84372	3.2
65.03905	3.5
67.05502	28.4
69.07053	10.0
69.32504	30.8
71.04977	7.1
73.02895	2.8
75.66064	2.7
79.05483	41.3
81.03420	4.8
81.07047	36.1
83.04958	5.4
83.08612	10.6
83.43224	3.1
89.06033	5.7
91.05464	12.6
93.07037	51.9
95.04978	16.3
95.08601	56.3
95.54390	3.6
97.02874	4.3
97.06522	6.0
99.04451	4.9
105.07028	17.3
107.04946	14.4
107.08595	39.7
109.06517	4.9
109.10158	8.0
111.04440	4.1
117.06977	20.6
119.08549	12.7
121.06485	10.0
121.10128	18.7
125.05992	3.7
129.06949	3.0
130.07785	3.8
130.22197	2.8
133.10095	5.3
135.11678	61.9
136.36467	2.7
139.07416	3.2
143.08516	4.6
145.10103	31.6
155.08607	4.0
163.11172	87.0
163.12537	4.2
181.12277	17.9
185.13298	4.3
227.12761	100.0
283.10172	3.0
283.15405	17.5
283.20544	5.9
283.24094	5.2
301.05963	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
54.64344	3.3
55.01857	7.0
55.05513	20.3
57.03436	17.6
57.07058	4.9
57.92653	3.1
62.50173	3.3
67.05505	35.5
69.03436	4.5
69.07078	18.9
71.08637	3.6
71.58826	6.9
73.02899	3.2
79.05497	46.8
81.03418	4.8
81.07053	48.7
83.04981	8.6
83.08619	11.4
89.06020	15.7
91.05456	16.3
93.07042	67.8
95.04960	8.5
95.08599	64.0
97.02886	5.6
97.06530	6.8
99.04424	5.3
105.07060	20.3
107.04951	15.5
107.08585	43.7
109.10146	9.7
111.04474	3.6
113.09586	3.5
117.07027	16.2
119.08560	26.7
121.06506	10.2
121.10144	30.4
129.06958	3.5
130.07753	5.5
133.08655	6.9
133.10132	5.1
135.08110	3.6
135.11690	69.1
136.12096	3.8
139.07509	5.3
143.08582	3.3
144.80458	3.7
145.10121	48.9
159.11644	4.8
163.11186	89.5
171.11565	3.7
181.12236	20.1
185.13129	4.3
191.10599	3.6
209.11646	3.6
227.10530	5.6
227.12798	100.0
227.17900	6.5
228.13123	4.2
283.15359	24.2
283.20120	4.1
283.24249	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01877	36.2
55.05509	75.5
57.03431	64.6
57.07070	8.6
59.04992	14.4
65.97648	6.1
67.05501	46.7
69.07059	20.6
71.04972	17.4
79.05489	72.5
81.03403	25.8
81.07053	72.8
82.25327	5.7
83.01354	34.4
83.04981	43.8
83.08624	42.3
85.02906	13.4
89.06010	30.1
91.05471	54.6
93.07043	100.0
95.04967	27.6
95.08601	33.9
97.06548	16.3
97.10162	9.2
99.04461	7.2
105.07036	37.1
107.04951	25.7
107.08563	40.8
109.06512	20.5
109.10146	8.6
111.04445	14.9
111.08108	7.7
117.07016	26.6
119.08585	39.1
119.69865	5.9
121.06488	17.9
121.10137	37.5
123.08048	27.0
125.05986	6.5
129.06985	12.2
130.07802	7.9
131.08586	16.3
133.10132	6.9
135.11678	39.7
137.09654	7.0
145.10110	52.7
153.12761	10.7
155.08578	9.4
163.11205	80.4
173.09607	14.4
181.10117	5.6
181.12210	13.4
191.10660	8.3
209.11737	18.5
227.12643	13.3
265.19522	7.4
283.15384	60.1
283.20554	17.3
283.23996	9.6
301.18683	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01869	14.2
55.05516	23.8
57.03436	19.1
57.07067	2.9
59.04985	1.7
65.03943	4.1
67.05173	2.3
67.05507	31.1
69.03434	7.4
69.07070	16.6
70.01896	2.8
70.02287	4.4
70.06572	3.7
71.04991	6.3
73.02906	2.9
75.01205	1.3
77.03912	2.3
79.05491	44.9
81.03424	9.9
81.07058	38.1
83.01328	1.9
83.04976	15.1
83.08617	16.4
85.02897	5.8
85.06533	3.3
91.05486	24.9
93.07047	65.2
95.04979	18.9
95.08607	52.9
97.02894	8.6
97.06518	10.9
97.10161	2.9
98.20920	2.0
99.04456	7.1
103.05412	1.7
105.07031	17.3
107.04956	20.4
107.08593	42.7
109.02908	3.3
109.06512	6.3
109.10144	9.3
111.04447	7.2
111.08084	3.5
113.06007	2.3
115.05469	1.7
117.07020	17.2
119.08587	17.5
120.08063	1.7
121.02873	43.3
121.06493	10.0
121.10138	24.8
123.04443	1.3
123.08074	3.1
125.05982	5.3
125.09662	1.9
127.03869	1.6
129.07066	3.0
130.07813	3.1
131.08565	5.4
133.10136	6.2
135.08073	3.2
135.11693	69.8
137.09590	2.0
139.03894	3.4
139.07529	2.5
143.08505	2.6
145.06516	2.3
145.10126	45.0
146.10519	2.0
147.08025	2.1
147.11688	1.9
149.02347	2.8
149.09653	1.9
153.06920	1.6
153.12737	11.1
155.08598	2.0
163.11183	89.0
165.06955	1.6
167.08548	1.6
173.09593	5.1
178.05049	3.1
181.12244	21.0
187.14848	2.1
191.10669	2.5
201.16493	1.9
209.11758	2.5
223.14799	2.8
227.12781	100.0
228.13133	1.8
237.05537	2.2
241.09674	2.6
255.11136	1.6
283.06262	2.0
283.10095	7.0
283.15445	21.2
283.20526	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
54.35428	1.4
54.36037	1.5
55.01869	8.7
55.05505	18.6
57.03433	19.9
65.03937	2.4
67.05502	29.1
69.03420	4.2
69.07079	14.2
70.02589	7.7
71.04998	7.1
72.93779	1.7
73.02932	1.7
79.05490	44.9
81.03419	6.3
81.07055	34.8
83.04984	9.8
83.08611	13.1
85.02918	1.6
85.06532	3.1
91.05476	18.4
93.07043	60.4
94.56153	1.5
95.04958	16.5
95.08602	55.7
97.02863	8.0
97.06519	7.6
97.10172	2.8
99.04432	8.4
103.05445	2.6
105.07034	17.4
107.04950	17.9
107.07869	2.5
107.08591	39.7
109.02844	1.6
109.06516	4.6
109.10172	8.4
110.79411	1.4
111.04434	5.2
111.08077	4.1
115.05470	2.3
117.07010	16.7
119.08564	15.1
121.02861	20.0
121.06489	7.6
121.10143	19.9
123.08057	1.7
125.05991	4.8
126.50291	1.4
129.06979	1.9
130.07762	3.0
131.08562	3.8
133.10149	4.6
135.08054	2.9
135.11687	66.6
135.12720	3.5
139.03886	2.0
139.07484	2.9
143.08565	2.8
145.10123	38.8
147.04420	2.1
149.09694	2.1
153.06960	2.0
153.12718	3.8
157.10164	2.4
159.11723	1.8
163.11179	90.4
164.11475	2.2
173.09662	3.9
181.12222	19.1
195.07977	2.7
209.11710	5.3
227.12772	100.0
228.13275	2.5
237.05515	1.7
242.05731	4.0
244.83505	1.7
255.06627	3.4
255.10237	3.5
265.05093	2.4
265.14432	1.6
283.06223	9.9
283.09717	10.8
283.15314	19.2
283.20560	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1528
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.84620	1.7
53.03931	4.9
55.01856	7.1
55.05505	10.7
57.03434	10.2
59.04980	1.7
65.03887	2.2
67.05502	17.1
69.03419	3.2
69.07067	10.4
71.04992	4.5
71.13522	3.8
73.33833	1.6
79.05489	20.3
81.03428	3.6
81.07053	19.4
83.04965	7.3
83.08607	7.4
85.02883	2.3
85.06527	2.0
91.05472	12.7
93.07045	30.6
95.04939	7.1
95.08044	2.7
95.08604	26.6
96.87266	1.6
97.02847	2.6
97.06501	5.4
97.10139	1.9
99.04424	3.3
99.08001	1.7
103.05447	2.4
105.07044	10.3
107.04945	7.8
107.08571	20.2
109.06506	3.1
109.10121	5.1
111.04430	3.2
117.06992	7.6
119.08578	7.6
121.02866	12.8
121.06475	4.8
121.10110	11.0
123.08060	1.9
123.11689	2.3
125.05992	2.0
130.07782	1.8
131.08531	3.5
133.10172	2.9
135.08014	2.4
135.11681	32.0
143.08614	1.8
145.10123	20.2
149.02350	3.3
153.06985	1.7
153.12709	3.7
155.08487	1.7
160.70616	1.9
163.03896	3.1
163.11189	37.9
169.10187	2.3
173.09624	2.6
181.12183	8.4
209.11475	1.9
227.12767	40.7
233.11440	3.8
242.05717	6.2
251.11177	2.7
255.06505	4.8
255.10161	6.1
269.12332	7.0
283.09680	8.8
283.15155	100.0
283.20355	5.1
288.31113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1328
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
53.03952	0.8
54.07611	0.3
55.01874	1.5
55.05508	1.7
57.03430	1.4
57.07080	0.7
57.38217	0.3
65.03940	0.6
67.05493	2.4
69.03429	0.4
69.07063	2.4
69.85246	2.1
71.04987	1.0
79.05494	6.9
81.03434	0.5
81.07062	3.5
83.04986	1.2
83.08624	1.4
85.02901	0.4
85.06541	0.5
91.05475	4.2
92.06301	0.4
93.07040	2.9
95.04982	2.2
95.08607	3.4
97.06539	1.0
97.10169	0.8
98.21455	0.5
103.05460	7.2
104.30546	0.3
105.07030	17.2
107.04945	5.5
107.08614	1.6
109.06507	0.8
109.10164	1.6
111.04472	0.6
111.08089	0.5
115.05461	1.1
116.66055	0.3
117.07011	0.8
119.04952	1.1
119.08581	0.6
120.05741	0.9
121.02865	1.5
121.06501	0.9
121.10149	1.4
123.08072	0.7
123.11686	0.4
131.04910	2.9
131.08554	0.7
133.06485	7.2
133.10110	0.5
135.04390	1.3
135.08044	1.4
135.11679	1.3
137.05974	0.5
139.05345	0.4
141.06946	0.7
142.07768	0.5
143.08546	0.4
145.06467	1.1
145.10121	0.8
147.04396	2.9
147.11789	0.4
148.05147	0.6
153.12784	0.4
155.08545	0.5
157.06412	0.4
159.08084	0.8
163.07538	100.0
164.07916	1.6
165.06984	0.4
173.09605	0.5
173.13254	0.4
175.07549	0.5
175.14801	0.4
177.09058	0.4
179.08568	0.5
181.06425	0.6
189.09109	0.4
191.08406	0.3
195.07999	0.6
197.09692	0.4
209.13348	0.6
225.09119	0.5
237.09036	0.3
250.09807	0.4
251.10654	0.6
252.11670	0.5
254.09242	0.3
255.10194	0.5
265.12180	0.7
265.19739	0.4
268.10843	0.9
283.09616	1.8
283.13232	19.8
283.20395	1.2
284.13550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.279
Annotation	Dodemorph
Peak:m/z	Relative Intensity
53.66628	0.3
55.05511	1.9
57.07073	7.2
60.11442	0.3
67.05470	0.7
69.07069	1.5
69.07367	0.3
69.32171	1.5
69.32600	1.2
71.08626	3.4
77.79598	0.3
79.05459	0.5
81.07037	0.9
83.08599	1.0
85.05331	0.3
85.10159	1.2
93.07012	0.4
95.08582	0.8
97.10163	0.7
98.06026	0.7
105.07022	0.5
110.32460	0.3
111.11760	0.3
119.08540	0.2
121.10170	0.3
126.14722	0.3
131.08559	0.3
137.93837	0.3
153.00571	0.3
154.94196	0.3
163.07565	1.3
172.95227	2.1
190.96210	1.4
191.08492	0.7
191.48502	0.3
203.53577	0.3
219.07912	0.3
228.97804	0.5
236.84105	0.3
246.98882	1.2
251.10477	0.5
265.12000	0.3
282.27887	100.0
283.28223	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
54.38854	2.1
55.01857	4.5
55.05519	15.1
56.05022	9.3
56.96552	4.2
57.03410	3.7
60.04532	12.5
61.29200	2.7
65.03919	5.7
67.04205	3.1
67.05499	43.5
68.04995	5.8
69.03433	3.1
69.07048	8.2
70.06575	9.2
71.04984	4.5
71.57877	4.6
79.05488	29.7
80.05010	26.2
81.03407	33.9
81.07050	28.1
82.06575	13.2
83.04967	8.5
83.08596	7.9
84.04502	13.3
85.02864	3.6
91.05466	28.4
92.04983	8.6
93.05774	10.2
93.07034	22.8
94.06561	40.9
95.04961	20.5
95.08610	19.0
96.04455	5.4
97.10150	4.2
103.05439	3.4
105.07027	16.4
106.06561	19.4
106.07216	3.8
107.04945	11.4
107.08565	11.4
108.08103	10.8
109.06542	4.3
109.10120	9.9
110.06013	17.7
111.04451	3.9
115.05518	2.8
116.98620	2.6
117.06991	11.9
118.06486	3.1
119.08546	9.7
120.08088	11.2
121.06459	7.0
121.10100	3.7
122.06011	6.4
123.08070	4.0
126.85311	2.7
131.08531	12.7
133.06471	3.0
133.10112	5.6
134.09628	4.3
134.99608	3.2
135.11707	2.8
136.07550	6.3
137.09654	3.6
141.07007	4.8
145.10074	5.9
149.13255	3.0
154.12230	5.1
159.11679	11.9
161.09596	3.5
163.07491	9.8
163.11137	3.3
165.07014	4.9
166.07298	3.8
169.10172	4.8
176.14325	12.5
177.12674	4.6
179.31818	2.5
186.12709	3.2
187.11176	6.6
191.08496	3.2
198.14885	3.8
204.13826	73.6
205.12233	10.0
206.15366	14.0
208.13205	3.2
210.74001	2.9
212.07770	4.0
222.14862	60.7
223.13264	27.6
224.16391	8.1
234.14870	14.9
236.16397	5.4
240.15950	19.6
264.11230	2.9
264.15973	20.4
282.08762	3.4
282.12000	10.3
282.16965	100.0
283.05856	4.6
300.14847	4.3
301.05850	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37477	2.2
53.03935	7.8
54.78929	2.2
55.01849	4.9
55.05509	18.5
56.05025	15.6
57.03425	3.1
60.04524	16.3
65.03931	3.5
67.05501	50.8
68.05015	8.4
69.03413	3.7
69.07065	14.3
70.06585	2.8
70.10257	11.3
71.04984	5.8
72.93795	2.7
79.05489	35.3
80.05015	40.8
80.58967	2.6
81.03415	41.9
81.07059	38.7
82.06577	12.2
83.04963	5.4
83.08590	5.9
84.04505	19.7
84.08092	3.6
91.05470	30.7
92.05006	4.7
93.05780	16.5
93.07034	28.6
94.06562	21.6
95.04961	21.0
95.08607	25.0
96.04449	9.5
96.08130	5.4
97.06506	3.1
97.10160	4.5
98.06066	7.0
103.10004	2.9
105.07024	15.9
106.06561	34.3
106.07262	4.0
107.04947	13.6
107.07382	4.0
107.08572	11.3
108.08163	3.0
109.06511	7.4
109.10147	6.1
110.06042	19.0
111.08088	3.8
115.05445	3.0
117.06997	15.5
118.06559	5.4
119.08550	6.1
120.04485	2.8
120.08100	11.1
121.06509	4.9
124.11243	7.0
129.12825	2.4
130.06488	3.0
131.08536	14.4
133.10094	3.6
134.09631	5.6
135.11678	3.4
137.09610	3.0
140.10687	3.4
141.06952	3.1
143.08554	4.3
145.06430	3.3
145.10126	9.3
149.09593	2.7
149.13254	4.3
157.10117	3.3
159.11685	17.8
161.09637	4.8
169.10121	7.6
176.14325	26.9
177.12730	8.9
186.12779	8.5
187.11145	8.9
191.08646	3.1
194.15306	5.3
196.13469	2.8
204.13834	100.0
205.12236	17.2
205.13913	3.3
208.13272	5.0
222.14870	82.2
223.13268	25.5
226.14377	8.8
240.15964	39.3
264.15933	14.0
282.16989	91.8
283.06119	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64455	6.4
56.96560	9.2
61.02916	8.2
67.05476	5.1
69.03412	22.3
70.06571	7.5
70.82320	5.8
70.82629	13.1
72.08136	9.2
72.26910	5.7
73.02898	9.0
81.03438	7.1
82.07227	5.0
82.59579	5.1
84.08109	8.4
85.02901	100.0
85.06532	15.5
91.03928	8.6
97.02876	22.4
107.04964	17.4
109.02842	7.0
120.07980	7.5
121.02927	6.7
127.03905	20.1
134.09641	6.4
136.06189	72.4
137.04504	6.0
145.04996	35.1
152.05655	8.3
163.06029	8.1
193.03174	8.0
195.11270	8.8
267.99921	7.0
268.97665	10.0
282.08160	12.9
282.14673	9.4
282.22205	11.9
282.28098	6.2
284.03043	7.8
300.06198	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.9
55.01863	6.1
55.05511	36.2
55.76642	3.9
57.03221	3.1
57.03438	30.7
57.07055	4.0
62.59809	2.9
65.03922	4.3
67.05499	91.6
69.03416	6.0
69.07059	21.2
69.40659	34.9
71.04982	4.6
79.05490	100.0
81.03426	17.4
81.07049	65.0
83.04966	32.2
83.08612	6.0
91.05473	75.5
91.06008	5.3
93.07035	70.4
94.19009	3.2
95.04961	30.5
95.08592	42.7
97.06499	4.7
103.05452	3.5
105.07030	63.4
107.04975	8.4
107.08570	29.6
109.06507	15.9
109.10162	11.0
109.73150	3.5
111.09377	3.4
117.07021	12.7
119.08575	36.7
121.10156	8.3
123.08055	8.7
125.09705	4.0
128.06221	5.2
129.07037	16.9
131.08563	8.6
133.10126	16.2
141.07001	4.2
143.08546	12.9
145.10112	15.9
147.08104	4.1
147.11700	27.1
153.91211	3.3
156.09253	6.1
159.08105	3.8
161.09616	10.1
161.13246	9.3
169.10158	4.7
171.11665	29.8
183.11697	4.7
189.12718	13.6
195.93582	3.6
197.13219	3.7
207.11848	5.8
207.13802	3.7
221.13403	5.8
249.68918	4.1
263.17935	6.9
281.12119	6.1
281.17487	13.3
281.18973	15.6
283.02963	3.9
299.06061	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02381	2.9
53.03937	8.7
55.01865	4.1
55.05513	30.8
57.03431	28.9
61.05980	2.3
62.40230	2.1
65.03943	5.8
67.05505	75.7
69.07063	17.2
69.29690	23.0
69.30109	5.3
71.04993	5.7
79.05491	100.0
81.03419	16.4
81.07053	64.6
83.04986	31.7
83.08626	7.1
85.06529	4.1
86.71291	2.6
91.05478	73.4
93.06473	5.0
93.07039	69.7
95.04964	36.5
95.08605	41.2
97.02853	2.8
97.06519	4.9
97.10143	2.4
105.07027	49.8
107.04955	9.0
107.08585	24.3
109.06532	6.3
109.10171	7.6
117.07027	13.3
119.08578	30.4
121.06539	3.8
121.10129	5.1
123.08066	7.8
128.06207	3.4
129.07031	18.9
131.08559	4.1
133.10123	11.5
135.11746	3.1
143.08563	10.0
145.10143	7.7
147.08038	3.8
147.11690	35.2
161.09586	5.4
161.13255	18.6
171.11688	25.0
189.12732	6.9
207.13809	8.2
281.17517	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01859	7.4
55.05511	36.0
57.03439	28.9
57.69846	2.8
62.93630	3.3
65.03931	7.0
67.05508	84.8
69.07070	16.5
69.41026	2.9
70.48451	5.9
70.48824	6.7
79.05490	100.0
81.03434	12.8
81.07051	64.8
83.04981	31.3
83.08613	8.7
84.61311	3.5
84.95647	3.5
85.06561	5.2
91.05472	69.4
93.07040	72.3
95.04965	28.5
95.08606	45.2
96.52982	3.8
97.06516	5.9
105.07024	47.6
107.04947	12.2
107.08611	24.0
109.06496	6.9
109.10179	9.5
117.07019	7.3
119.04939	6.5
119.08575	33.3
121.10153	7.6
123.08081	6.1
123.11710	3.7
125.09573	4.7
128.06151	5.3
129.06992	17.0
130.52956	3.4
131.08612	8.1
133.02878	4.8
133.10127	14.4
143.08562	8.8
145.10155	13.0
147.04433	14.1
147.11700	36.1
161.02361	8.8
161.09650	5.0
161.13272	12.1
171.10455	3.4
171.11661	20.7
189.12775	9.6
207.13785	3.8
263.06927	5.1
281.05432	5.3
281.08029	25.5
281.10849	4.1
281.17380	20.1
283.03040	4.3
299.06284	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56383	1.7
53.03941	9.7
55.01863	4.4
55.05261	3.0
55.05509	37.1
57.03432	24.4
57.07068	2.7
63.30822	1.8
65.03944	5.8
67.05502	89.2
67.93275	1.7
69.03417	2.8
69.07064	18.0
69.34799	19.4
71.04976	1.9
71.75529	1.8
72.32475	1.7
78.11827	1.7
79.05490	100.0
81.03412	12.9
81.06584	3.4
81.07057	69.4
83.04982	37.5
83.08616	10.6
85.06536	3.5
91.05472	88.2
92.05829	2.0
93.07039	62.9
95.04972	26.9
95.08602	43.5
97.02886	2.0
97.06535	9.9
97.10155	8.3
98.20796	4.4
98.97546	3.0
99.08059	2.2
105.07028	51.0
107.04954	11.7
107.08595	26.3
109.06519	9.7
109.10131	9.8
114.79198	1.9
116.98628	3.5
117.07011	11.4
119.08569	28.5
121.06525	5.0
121.10111	7.3
123.08057	7.0
123.11674	2.8
125.09647	1.9
128.06198	4.1
129.06996	19.1
131.08549	5.9
133.10124	15.2
135.11685	6.5
137.09721	2.4
143.08560	8.5
145.10164	11.9
147.04422	2.6
147.08037	3.8
147.11682	36.3
161.09653	3.7
161.13254	19.3
171.11664	28.7
189.12727	10.1
207.13669	9.3
249.09419	2.0
253.08478	2.0
281.08307	1.9
281.11740	5.5
281.17322	24.9
299.06012	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.7
55.01860	9.3
55.05508	42.2
56.96547	5.4
57.03434	28.5
57.07044	4.6
60.18585	3.8
60.51658	3.5
63.86630	3.2
65.03936	6.7
67.05497	88.6
69.03416	7.2
69.07058	27.0
70.73444	8.6
70.73814	6.8
71.04966	7.8
72.08153	4.4
79.05484	100.0
81.03419	20.0
81.06590	6.2
81.07048	89.0
83.04978	38.9
83.08603	12.8
85.02909	5.0
85.06535	8.4
87.04454	5.6
91.05463	70.5
93.06477	5.1
93.07034	70.5
95.04945	30.7
95.08594	60.5
96.99457	3.1
97.02865	6.4
97.06525	11.0
97.10172	4.8
105.07028	57.4
107.04929	14.4
107.08585	28.9
109.06492	12.5
109.10136	13.2
111.08098	5.3
117.07026	14.1
119.08560	39.5
121.06491	7.3
121.10122	12.8
123.08069	9.2
123.11731	4.7
128.06192	3.6
129.06987	18.9
131.08549	6.8
133.10123	23.9
135.11678	6.7
139.07411	4.0
143.08560	11.4
145.10127	15.4
147.08028	4.9
147.11688	29.4
159.11667	6.3
161.05942	3.4
161.09668	4.7
161.13223	16.7
171.11638	23.6
173.13303	4.0
177.00919	4.0
189.12692	11.1
199.14841	6.9
207.13737	7.1
217.15959	5.7
235.16727	4.4
262.19781	3.8
263.16348	5.6
266.99905	6.5
281.04749	3.4
281.08072	10.9
281.11633	8.6
281.17282	21.5
298.89221	3.8
299.06140	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.2
56.05033	0.8
57.03425	0.2
57.07079	0.2
64.10478	0.2
67.03018	0.2
67.05496	0.2
67.34986	0.2
67.64984	0.2
69.03430	0.5
69.07078	0.3
69.93258	0.8
70.06601	0.3
70.84290	0.2
74.06082	1.8
79.05486	0.3
81.03419	0.3
81.07061	0.5
83.04972	0.2
84.08150	0.3
85.02931	0.2
91.05413	0.3
91.05882	0.2
92.02509	0.2
93.07045	0.4
94.04053	0.4
94.15359	0.2
95.04996	0.3
95.08610	0.6
102.05540	0.9
105.07010	0.2
107.08540	0.3
109.02886	0.3
111.04441	0.2
112.73733	0.2
119.03547	4.5
119.08534	0.3
120.06575	4.8
120.08022	0.3
128.09779	0.2
131.08539	0.2
133.06606	0.2
135.08051	0.3
136.06181	100.0
137.02353	0.3
137.04582	4.3
137.05746	0.3
137.06644	0.4
147.08081	0.2
147.09154	0.3
161.05975	0.2
162.04106	52.4
163.04369	0.4
165.09085	0.2
214.06036	0.2
263.09229	0.2
263.32843	0.2
266.99841	0.5
281.05063	0.3
281.09918	6.2
281.14835	0.7
281.17618	0.2
283.03061	0.7
299.06241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0808
Annotation	Neodunol
Peak:m/z	Relative Intensity
51.15425	0.7
53.03933	1.7
55.01875	0.7
55.05513	4.6
56.96574	0.7
57.03428	3.0
57.07072	1.8
58.88432	0.6
65.03943	1.9
67.05505	9.0
69.03429	1.1
69.07067	3.5
71.04974	0.8
71.08629	1.3
71.58034	0.8
77.03924	2.1
79.05488	10.2
81.03420	2.1
81.07058	9.8
83.04976	2.5
83.08618	2.2
85.02918	1.2
85.06535	0.8
87.04440	0.6
91.05478	28.6
92.05804	0.7
93.07046	7.5
95.04986	4.1
95.08598	7.2
97.06515	1.0
97.10181	1.5
98.97549	0.8
105.03394	10.6
105.07043	6.2
107.04951	2.8
107.08603	3.5
109.06503	1.4
109.10162	2.0
110.55349	0.6
111.11672	0.8
116.98598	1.0
117.06994	0.9
119.04940	43.0
119.08552	3.8
120.02102	1.3
121.10150	2.5
123.04428	1.1
123.08114	1.0
123.11710	0.8
128.06256	0.9
129.06995	2.2
131.08565	0.9
133.02846	16.3
133.06438	0.9
133.10144	2.1
135.04442	1.8
135.11708	1.2
137.05939	0.7
143.08562	1.6
145.10130	1.7
147.04407	100.0
147.11685	4.4
148.04730	1.4
151.03915	6.8
161.02339	58.5
161.09682	0.7
161.13239	1.4
162.02641	0.8
165.09128	1.0
167.08647	0.8
169.10112	0.7
171.11687	2.3
177.00723	0.8
178.07848	3.1
179.03377	9.4
179.08548	3.9
187.03934	4.4
189.07031	1.2
189.12758	0.7
191.08615	0.7
207.08096	5.1
211.07433	0.7
221.05872	0.9
221.13098	0.7
234.06779	2.3
235.07565	3.4
238.06104	0.7
242.11954	0.6
245.06143	0.9
263.07019	37.3
264.07330	0.8
266.05725	2.7
266.99915	1.5
269.86255	0.8
281.08078	69.8
281.17719	1.4
281.22290	0.9
281.28201	0.7
282.08481	3.2
299.03275	0.7
299.06253	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0809
Annotation	Neodunol
Peak:m/z	Relative Intensity
51.02384	0.7
53.03933	0.9
55.01869	1.7
55.05523	3.5
56.96564	3.7
65.03940	2.4
67.05505	4.2
68.88018	0.7
68.99773	0.9
69.03412	2.4
69.07054	2.8
69.50437	6.2
71.04992	0.9
77.03927	1.6
79.05495	3.0
81.03405	1.0
81.07056	7.6
83.04949	1.4
83.08598	1.3
85.02895	1.6
85.06521	2.4
91.05473	24.3
93.07049	3.2
95.04956	2.1
95.08619	5.5
96.87794	0.9
97.02884	1.2
97.06552	1.5
97.10158	0.6
98.97581	1.1
103.05448	1.1
105.03388	10.8
105.07017	4.9
107.04955	2.8
107.08609	2.7
109.06521	0.9
109.10133	2.6
111.08131	0.9
116.98528	1.0
119.04935	45.3
119.08545	1.3
120.02060	1.0
121.02861	0.7
121.06471	1.1
121.10139	1.8
123.04418	1.6
123.11742	1.1
131.04961	0.8
133.02840	15.9
133.06496	1.0
133.10123	1.9
135.04405	2.7
135.08086	0.7
135.11678	1.1
137.13219	0.7
143.08447	0.8
145.06496	0.8
145.10097	0.8
146.99646	1.4
147.04404	100.0
148.04724	1.4
151.03912	6.0
157.10135	1.3
159.11664	0.9
161.02341	59.5
162.02686	1.1
163.07533	12.8
163.14793	0.7
164.07884	0.8
167.07132	0.8
171.11774	0.8
178.07765	2.6
179.03401	9.8
179.08540	3.0
181.08603	5.7
181.10080	1.1
187.03874	3.6
189.06940	1.2
207.08072	5.1
217.06512	0.8
221.06073	0.8
225.04317	1.1
234.06712	2.5
235.07516	5.0
237.02644	1.7
243.05212	1.0
247.12996	0.7
253.03677	1.1
255.05434	2.3
263.07019	37.0
264.07480	1.3
266.05728	2.4
271.05115	0.7
281.08072	78.2
282.08344	2.6
283.03323	0.8
299.06256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	[R-(E,E)]-13-Hydroxy-6,10,14-trimethyl-5,9,14-pentadecatrien-2-one
Peak:m/z	Relative Intensity
52.17842	1.4
53.03936	4.7
55.01858	6.5
55.05511	38.3
56.96568	1.7
57.03434	9.6
57.07076	14.2
59.04974	2.0
65.03934	3.4
67.05503	86.3
69.03439	15.9
69.07068	52.4
69.07450	2.0
69.51387	2.8
69.51794	8.5
71.04997	15.9
71.08623	3.2
72.30112	1.5
74.69197	1.3
76.00689	1.4
79.05489	40.3
81.03443	8.1
81.07056	98.1
83.04984	17.5
83.08618	23.0
85.02900	3.0
85.06074	2.3
85.06544	26.8
86.09666	1.4
91.05484	30.7
93.07043	51.1
95.04982	13.3
95.08606	100.0
97.06517	11.3
97.10188	11.7
98.97553	1.9
99.08082	3.3
101.06042	1.4
105.07030	29.3
107.04955	2.0
107.08584	35.5
109.06510	6.8
109.10158	52.5
111.08073	10.4
111.11723	3.6
113.06020	11.6
116.98612	3.2
117.07006	7.4
119.08583	22.6
120.08102	3.8
121.02882	3.5
121.06532	2.5
121.10135	30.3
123.08048	8.8
123.11687	18.7
125.05983	1.6
125.09623	3.8
131.08601	11.1
133.10129	22.1
135.08041	3.9
135.11694	24.6
137.09619	4.6
137.13283	11.4
139.07516	3.3
139.11156	2.8
141.09099	2.6
145.10114	14.4
147.11702	15.6
149.02344	33.0
149.09579	1.3
149.13260	12.0
151.11179	2.4
151.14832	2.9
153.07187	1.8
153.12743	1.8
157.10168	3.0
159.11700	11.5
161.13245	10.6
163.11143	2.5
163.14813	6.2
165.12819	1.6
171.11729	1.9
173.13289	6.2
175.14848	4.0
177.00665	1.4
177.16435	4.3
187.14810	6.9
189.16370	7.2
191.08588	3.1
191.17984	3.5
201.16412	2.2
203.18002	8.4
205.19504	2.7
217.19511	6.7
219.08076	5.0
219.20993	2.1
233.15591	1.7
235.20634	2.2
236.08296	3.1
243.21088	17.9
251.10684	7.5
261.22119	10.7
261.24734	1.7
261.25842	1.8
279.06345	2.0
279.10123	3.6
279.23181	21.5
279.26514	3.1
286.13712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.76484	1.4
55.05495	9.9
57.07057	2.5
59.50083	1.9
64.92625	1.5
67.05504	100.0
69.07070	10.6
71.04990	2.0
71.31916	3.7
79.05502	11.8
81.07053	87.9
83.08624	5.1
91.05479	4.0
93.07048	11.2
95.08605	77.4
97.10151	2.0
105.07017	2.3
107.08595	7.2
109.10147	24.4
119.08578	2.5
121.10144	6.9
123.08080	1.6
123.11684	13.3
131.08533	5.3
131.75266	1.5
133.10147	3.9
135.11684	5.6
137.13232	9.9
145.10152	1.9
147.11694	4.2
149.02354	10.4
149.09535	2.0
149.13231	3.6
151.14847	3.2
159.11720	3.8
161.13293	1.5
173.13277	6.6
177.12799	2.8
187.14815	3.2
195.13840	2.6
206.08807	1.8
209.15359	3.1
261.22141	2.1
279.23279	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.43206	2.0
55.05506	7.6
57.07035	3.7
65.03958	2.3
67.05504	95.3
69.07058	8.7
69.24827	10.9
69.25263	13.8
69.66038	1.8
79.05500	11.1
81.07057	100.0
83.08631	5.7
89.70428	2.1
91.05474	3.5
93.07067	7.4
95.08607	73.1
107.08594	5.6
109.10160	49.7
119.08610	3.3
121.10154	4.0
123.11716	38.1
124.96329	2.2
131.90909	2.0
135.11711	4.2
137.13280	10.6
147.11617	2.2
149.13216	3.4
155.32306	2.1
159.11714	2.8
173.13289	4.5
173.40648	2.2
177.12814	2.8
187.14874	2.7
195.13800	2.2
209.15356	2.8
223.17003	3.1
243.21338	2.0
261.22159	2.1
279.23196	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.73726	0.8
53.03934	1.6
55.01865	1.1
55.05512	10.3
57.03423	1.1
57.07060	3.7
65.03921	2.8
67.05502	96.2
68.05840	1.3
69.07067	10.3
69.29390	10.9
71.04978	2.2
79.05489	13.0
81.07052	100.0
83.08629	5.5
85.06548	1.5
91.05469	7.1
93.07043	16.2
95.04973	2.1
95.08603	76.6
97.06504	2.1
97.10171	3.1
100.14273	1.0
105.07007	4.5
105.86790	0.9
107.08585	10.6
109.06500	1.4
109.10152	44.1
111.11688	0.9
114.44725	1.0
117.07002	1.5
119.08573	4.1
119.92724	1.1
121.10152	7.0
123.08084	1.0
123.10223	0.8
123.11696	21.4
131.08594	5.4
133.10143	3.5
134.99452	1.5
135.08153	1.1
135.11679	5.3
137.09628	1.3
137.13260	8.8
145.10103	2.8
147.11667	3.1
149.02322	10.5
149.09605	1.3
149.13257	2.8
151.11351	0.9
151.14786	2.2
153.00488	2.1
158.03236	2.3
159.11671	2.6
161.13257	2.3
163.11159	2.3
163.14867	1.7
165.12735	1.9
172.51981	0.9
173.13251	3.3
175.14861	1.2
187.14790	3.0
195.13873	1.2
209.15359	1.4
219.21062	1.5
223.16982	2.5
243.21117	2.3
261.22122	2.7
266.22397	1.0
279.19879	2.1
279.23169	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.03386	0.6
52.59507	0.5
53.03942	0.9
55.01870	1.1
55.05508	12.2
57.03421	1.5
57.07078	5.3
61.39390	0.6
62.06175	0.6
65.03934	3.0
67.05503	100.0
68.05845	1.2
69.07067	11.1
70.00544	3.2
71.04986	1.8
79.05492	17.5
81.07056	98.9
82.07368	0.7
83.04972	3.1
83.08618	5.1
83.55508	0.6
85.06544	1.6
89.14986	0.7
91.05465	6.1
93.07041	16.6
94.07373	0.8
95.04974	2.4
95.08604	75.9
96.08917	0.7
97.06548	1.6
97.10194	2.8
103.51550	0.6
105.07025	5.0
107.08590	10.2
109.06516	2.1
109.10157	39.9
110.10515	1.1
111.08079	0.9
111.11713	1.3
113.41852	0.7
117.07000	2.2
119.08604	4.5
121.02819	1.1
121.10137	8.3
123.08072	1.5
123.11707	20.3
125.09631	0.6
130.07794	0.6
131.08568	4.2
133.10129	4.0
135.08058	1.8
135.11665	5.9
137.09584	1.2
137.13261	7.6
145.10109	3.1
147.11633	2.8
149.02338	21.4
149.09579	1.2
149.13257	3.6
151.14796	2.3
159.11678	2.0
161.13229	2.0
163.11183	1.5
163.14790	1.6
165.12791	0.8
165.16460	0.8
167.10651	1.2
173.13235	2.7
177.12711	1.3
181.12184	1.6
187.14799	2.9
191.14264	1.5
195.13789	2.5
209.15410	1.5
219.05670	1.1
219.17458	0.7
219.21068	1.3
223.16934	2.5
233.22624	0.6
243.21036	2.5
261.22205	4.4
279.09268	0.9
279.19913	1.9
279.23172	21.5
280.23340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.12913	0.6
53.03952	1.2
53.72570	0.7
55.05504	11.6
55.37196	0.7
57.03436	1.2
57.07077	2.9
63.68811	0.6
65.03929	3.8
67.05499	100.0
68.05846	1.1
69.07066	9.3
71.04925	1.6
73.06529	0.7
79.05489	15.1
81.07051	94.2
82.07366	0.9
83.05012	1.3
83.08614	4.9
85.06536	1.2
91.05471	4.8
91.40062	0.6
93.07037	13.0
95.04970	2.5
95.08599	75.4
96.08941	1.2
97.06548	1.2
97.10161	4.0
99.08106	0.9
105.07007	3.1
107.08585	8.8
107.59076	0.7
109.06497	1.3
109.10146	43.2
111.08059	1.1
119.08564	3.8
121.02832	1.0
121.06470	0.9
121.10121	7.0
123.08076	1.3
123.11702	21.2
131.08569	4.0
133.10130	3.1
135.08031	1.5
135.11671	5.8
137.09613	2.1
137.13263	6.7
145.10114	3.9
147.11673	2.3
149.02356	7.1
149.09627	0.9
149.13254	3.4
151.11165	1.5
151.14822	2.9
155.92308	0.7
159.11685	2.0
161.13264	2.1
163.11177	1.4
163.14719	1.5
165.12773	0.9
165.16367	0.9
167.10693	0.9
173.13219	3.2
177.12766	1.2
179.14206	0.8
181.12180	1.2
187.14798	2.4
191.14340	0.9
195.13803	1.6
195.46381	0.7
205.15866	1.3
205.27419	0.7
209.15204	1.6
215.17671	1.0
219.21005	0.7
223.16855	2.5
224.91930	0.7
236.77211	0.7
237.18506	1.3
243.21024	2.6
261.22092	3.0
279.09503	1.1
279.19864	2.0
279.23148	22.9
280.23596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03953	1.0
54.93037	0.6
55.01873	2.2
55.05510	12.6
56.96588	0.7
57.03425	1.0
57.07081	5.0
58.23629	0.7
64.40697	0.6
65.03957	3.3
67.05505	96.9
68.05841	1.5
69.07069	14.1
70.90425	0.7
70.96600	0.9
70.96918	1.2
71.04994	2.0
71.08632	0.8
73.06556	0.7
74.13982	0.7
79.05492	18.5
80.05864	0.8
81.07058	100.0
82.07401	1.4
83.04979	1.5
83.08619	6.3
85.06554	2.0
91.05477	8.7
93.07047	17.1
94.07377	0.7
95.04968	3.1
95.08607	83.5
96.08939	0.9
97.06520	2.0
97.10160	4.2
99.08063	0.9
105.07030	7.4
107.08592	13.4
107.50217	0.6
109.06515	1.2
109.10157	46.0
109.38132	0.7
111.08089	2.3
111.11723	1.7
111.55326	0.7
117.07019	3.1
119.08616	5.2
121.02882	1.6
121.10151	11.3
123.08050	1.9
123.11703	20.8
127.07564	1.3
131.08549	4.8
132.99583	0.7
133.10132	4.5
135.08093	1.5
135.11717	6.4
137.09605	2.0
137.13271	9.3
145.10100	4.0
147.11658	3.9
149.02348	22.3
149.09599	2.8
149.13255	2.7
151.11195	1.3
151.14827	2.9
153.09097	0.9
159.11685	2.8
161.13271	2.8
163.07498	0.8
163.11166	1.8
163.14844	1.7
165.12737	1.4
165.16359	1.2
167.10692	1.7
173.13255	4.0
177.12747	2.2
177.16319	1.1
179.14310	0.9
181.12119	1.7
187.14888	4.0
191.14380	0.9
195.13808	2.5
205.15854	0.8
209.15379	2.7
219.05722	1.1
219.21008	1.1
223.16965	3.4
237.18542	1.2
243.21094	3.6
261.18713	0.6
261.22113	5.1
279.06494	1.2
279.09283	1.9
279.16806	0.8
279.19675	3.1
279.23196	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
53.03938	5.0
55.01862	7.8
55.05505	28.1
56.96561	13.3
57.03437	11.7
57.07067	9.9
65.03917	3.1
67.05171	3.7
67.05500	43.7
69.03432	2.7
69.07063	22.6
71.05000	4.7
71.57758	3.0
72.76469	1.9
79.05489	35.9
81.03415	3.7
81.07049	66.3
83.04966	5.3
83.08595	11.4
85.06516	4.4
91.05470	38.5
93.03414	2.1
93.07037	100.0
93.07631	5.3
94.01254	1.7
95.04962	17.2
95.08604	31.5
97.06531	14.3
97.10160	8.8
98.05792	1.9
105.07023	36.3
107.04960	5.5
107.08588	21.0
109.06512	77.6
109.10156	10.2
111.08056	4.5
113.05982	2.4
116.98597	4.3
117.07018	7.5
119.08588	30.0
121.02861	6.0
121.06497	4.7
121.10114	10.6
123.08063	22.5
123.11698	15.9
125.09608	6.8
129.07007	4.0
131.08556	16.1
133.10109	15.2
134.99693	2.8
135.08031	16.1
135.11713	4.2
137.05936	2.7
137.09624	3.5
143.08562	3.6
145.10110	15.0
146.99585	3.7
147.11702	25.6
149.02336	74.0
149.09618	8.2
157.10120	2.7
158.99646	2.3
159.11681	6.6
161.13179	2.8
163.11214	3.4
165.12648	4.0
167.03493	2.1
169.10147	3.1
171.11662	2.3
173.05151	4.6
185.13197	2.8
189.04425	2.4
189.11174	4.5
196.28964	2.1
201.04601	4.0
205.15901	12.6
215.17921	3.1
219.05681	56.6
220.06006	4.9
225.16388	5.6
243.17465	6.0
261.18469	52.4
267.08963	3.5
279.06561	4.6
279.09286	58.8
279.19464	20.0
280.09570	3.6
297.10031	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
53.03935	3.4
55.01866	8.5
55.05510	86.5
56.96556	3.2
57.07082	14.3
64.84994	2.2
65.03951	2.3
67.05507	36.5
69.03419	8.9
69.07065	18.6
71.04987	4.8
71.57833	4.4
79.05490	34.3
81.03421	3.4
81.07058	37.2
82.55035	2.1
83.04964	7.5
83.08616	55.8
91.05463	12.8
93.07038	21.1
94.07442	3.8
95.04977	7.9
95.08578	20.8
96.87342	2.5
97.06525	4.8
97.10165	100.0
105.07014	11.6
107.04920	2.6
107.08585	38.7
108.08932	2.4
109.06489	6.0
109.10149	9.3
111.08096	4.0
116.98699	3.0
117.07016	6.5
119.08594	11.6
120.08189	2.4
121.02844	6.0
121.06533	2.8
121.10156	9.3
123.08099	3.5
123.11654	3.3
125.09630	84.4
129.06918	3.0
131.08569	7.6
133.10149	4.1
135.08061	14.0
135.11758	2.7
137.09642	4.8
143.08559	3.2
143.10663	5.6
143.74785	2.6
145.10117	5.6
149.01152	4.4
149.02338	83.4
149.09569	3.8
151.11201	4.3
153.09103	6.1
169.10068	4.4
169.53656	2.4
189.11214	63.8
219.05663	5.1
256.81128	2.5
258.77161	2.2
261.18558	13.4
274.10355	4.1
279.06680	2.8
279.09399	6.7
279.19382	22.5
279.22299	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
51.30500	1.5
53.03930	6.7
55.01860	4.5
55.05507	70.5
56.40870	1.6
56.96563	3.0
57.03423	2.9
57.07070	9.3
65.38029	1.7
67.05498	41.3
69.03414	4.7
69.07072	16.4
71.04993	4.3
71.29630	1.5
79.05489	28.3
81.03410	16.8
81.07047	39.9
83.04973	25.0
83.08630	8.9
85.02884	3.0
85.06505	5.0
91.05469	28.7
93.06475	3.7
93.07038	48.1
95.04964	100.0
95.08600	35.7
97.06516	7.6
97.10140	6.9
99.08070	3.0
103.05408	2.1
105.07037	22.4
106.67804	1.5
107.04927	2.6
107.08588	15.6
109.06520	12.2
109.10165	8.7
111.08044	2.3
117.07006	6.5
119.08571	17.6
119.35908	1.7
121.02844	3.3
121.06503	25.6
121.10149	16.8
122.49340	1.8
123.04447	2.9
123.08060	6.6
123.11655	3.3
124.99883	1.7
125.02242	1.6
131.08569	10.0
133.10100	12.4
134.99605	2.0
135.08038	11.4
135.11681	7.1
137.09631	12.7
139.11131	6.7
143.08531	2.2
145.10095	8.9
147.11639	4.6
149.02332	43.3
149.09601	4.2
149.13277	2.9
151.11131	2.1
153.09154	1.8
157.10060	2.5
159.11656	7.8
161.09613	5.1
163.11176	3.3
173.13246	4.7
175.14941	2.0
177.12700	10.5
183.11670	2.5
191.14302	3.1
198.70094	1.6
201.12718	3.2
203.12784	2.1
205.14058	1.9
207.13727	9.2
215.17902	2.5
219.05693	3.6
219.13794	5.1
225.14812	3.5
233.18994	4.1
237.14822	28.2
243.17453	2.6
261.18497	34.7
279.06607	3.4
279.09528	5.8
279.16351	2.9
279.19525	65.1
280.19836	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01878	3.2
55.05510	22.0
56.68505	2.5
56.96566	5.9
57.03437	7.7
57.07077	12.8
67.05504	31.4
69.07070	17.1
70.29216	8.4
70.29620	5.4
78.33341	2.7
79.05489	25.6
81.07056	48.2
83.04995	5.0
83.08610	14.7
85.06528	3.8
86.09711	3.5
91.05475	35.3
93.07040	100.0
95.04961	18.4
95.08606	25.0
97.06527	11.1
97.10165	8.6
98.97574	2.6
105.07024	24.5
107.04952	5.3
107.08594	17.5
109.06515	42.7
109.10168	9.0
117.06995	8.7
119.08575	24.5
121.02890	8.4
121.10170	8.5
123.08063	10.7
123.11715	7.5
125.09663	9.8
128.06178	2.8
131.08577	14.2
133.10143	14.8
134.99670	5.7
135.08037	16.0
135.11678	4.3
137.09596	2.8
145.10143	10.4
147.11722	11.3
149.02338	97.4
149.09625	6.2
150.32492	2.6
155.08553	3.1
157.10146	3.0
159.11697	6.5
165.12643	3.1
169.10086	3.8
173.05222	3.3
177.00726	2.8
177.40860	2.7
183.11804	3.4
189.11151	3.3
205.15906	5.1
215.17975	3.8
219.05705	36.2
221.26259	3.0
225.16310	3.3
243.17484	6.1
249.95255	2.7
261.18484	44.8
279.06595	3.8
279.09314	46.7
279.19589	8.9
280.09811	3.0
297.10162	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.05498	1.1
56.96546	0.8
57.07058	2.4
60.75658	0.8
67.05498	3.4
69.07069	1.5
70.06582	1.6
71.04978	0.8
71.57165	1.1
77.90553	0.6
79.05475	2.0
80.69347	0.7
81.07050	3.2
83.78393	0.7
85.02904	1.4
86.09699	100.0
87.10057	1.0
91.05471	5.2
93.07039	2.9
95.04943	1.1
95.08597	2.2
97.06532	0.8
99.04434	0.7
100.10170	0.7
103.05484	2.7
105.07034	1.7
107.08611	2.1
109.02867	0.8
109.10168	1.0
117.06996	1.0
119.08532	1.1
120.08097	53.7
121.02897	0.8
121.10115	1.1
123.11694	1.7
129.31929	0.7
131.04919	0.9
131.08545	1.2
132.10190	1.0
133.10162	1.0
135.11681	0.8
137.78160	0.7
145.10114	1.2
147.11713	0.9
149.02327	11.7
152.04657	0.8
161.05913	0.7
166.08606	7.6
166.39711	0.7
230.55424	0.8
233.10324	0.9
234.19553	0.7
261.89096	0.7
279.09799	1.2
279.13321	1.0
279.16867	3.3
284.94223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91707	1.1
53.03934	1.6
55.05510	40.8
56.05032	1.6
56.96561	2.2
57.03450	1.4
57.07062	5.0
57.98799	1.1
58.99585	19.3
67.05495	3.8
69.03437	3.3
70.06593	2.6
71.04983	2.5
71.57276	2.1
73.01150	1.3
74.06078	1.6
76.02229	5.9
76.04000	4.9
79.05489	2.0
81.03412	2.3
81.07048	4.2
83.08621	31.8
83.09121	1.8
84.08147	2.6
85.02884	6.7
85.06555	1.2
86.99047	14.8
88.02215	5.1
89.06036	7.3
91.05489	4.6
93.07037	2.9
93.61882	1.2
95.04961	2.1
95.08617	3.3
97.02856	1.4
98.97581	3.9
101.00481	1.3
103.05491	1.3
105.07035	2.7
107.04958	2.0
107.08623	2.0
109.06467	1.4
115.05525	1.2
116.01673	58.3
116.98612	3.6
119.04915	1.6
119.08565	2.2
121.02852	3.5
121.06355	1.2
121.10117	1.5
123.04417	2.2
123.11726	1.7
127.03944	1.6
130.06522	3.7
131.04958	2.0
134.99654	4.8
143.08531	1.8
144.01141	25.6
145.06436	1.8
146.06091	1.3
147.04393	4.3
149.02341	45.5
149.09505	1.3
158.06062	1.3
159.08353	8.0
161.05984	1.4
162.02202	100.0
167.03369	2.0
177.00723	4.8
178.02466	1.3
189.72327	1.1
205.06609	2.6
217.04921	1.3
233.06007	2.7
237.02861	1.2
261.05215	1.9
261.14801	1.4
262.11081	14.0
279.06363	3.0
279.08990	2.1
279.13217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03944	4.1
54.04269	2.1
55.01865	3.1
55.05510	21.0
56.05842	8.3
57.03429	1.5
57.07062	5.4
60.71020	1.5
65.03931	2.8
67.05502	49.9
68.05842	13.8
69.07073	16.2
70.07397	6.2
70.09066	1.8
70.09400	8.4
70.69176	1.4
71.04980	2.1
71.08624	4.2
72.08952	2.6
74.34160	1.9
74.53608	1.6
78.86815	1.6
79.05492	57.9
80.05828	23.0
81.06580	3.3
81.07054	43.5
82.07397	18.8
83.04965	3.1
83.08625	9.9
84.05322	1.8
84.08939	4.1
85.06540	2.7
87.59438	1.6
91.05481	20.2
92.05804	15.7
93.07043	67.8
93.07632	3.6
94.07372	45.7
95.04966	10.1
95.08596	32.6
96.05294	4.2
96.08939	14.8
97.06525	1.7
97.10164	4.4
100.08418	2.0
105.07026	14.3
106.07361	13.1
107.04989	1.7
107.08588	39.5
108.08167	2.7
108.08919	31.7
109.06525	2.4
109.10152	13.9
110.06820	1.8
110.10496	9.5
111.08040	2.1
117.07027	2.7
118.07355	1.9
119.08570	9.9
120.08919	6.7
121.10141	30.7
122.10481	25.5
123.11720	5.3
124.08397	1.6
124.12050	2.0
131.08560	3.2
132.08887	2.9
133.10120	5.9
134.10445	7.6
135.08003	1.5
135.11685	29.5
136.12012	33.8
137.09654	1.9
138.09888	3.9
144.24197	1.4
145.10115	3.6
146.10422	2.2
147.11713	4.4
148.12009	6.2
149.02350	5.9
149.09627	2.3
149.13263	10.9
150.13600	15.8
151.11192	2.6
151.57549	1.6
158.10440	1.6
159.11693	2.2
160.12067	3.6
161.13333	2.2
162.13582	3.4
163.14822	3.6
164.11513	2.9
164.15143	6.1
164.68744	1.8
172.12006	2.4
174.13603	1.7
176.15224	2.2
178.13158	2.0
179.14220	1.7
180.14624	4.1
181.12271	2.4
186.13638	3.1
200.15224	2.2
208.14240	1.9
222.15779	3.4
236.17355	3.9
242.19835	3.0
260.20917	7.7
263.53836	1.4
278.21967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.74088	1.3
53.03939	4.1
54.18230	1.2
55.05509	20.6
57.07084	6.5
65.03934	2.3
65.38008	1.3
65.71052	1.5
67.05498	32.0
69.07064	14.5
71.04995	1.7
71.19893	3.4
77.03967	1.3
79.05488	73.8
80.26241	1.3
81.07052	36.7
83.04984	1.4
83.08618	7.5
85.06547	1.5
91.05476	27.6
93.07040	100.0
95.04969	10.0
95.08608	21.3
97.10146	4.2
105.04497	1.8
105.07016	16.2
107.08588	49.4
109.06495	3.3
109.10125	10.0
117.07057	2.9
119.08601	12.6
121.10139	35.9
123.11722	3.1
125.09686	1.6
129.07001	2.3
131.08548	4.4
133.10127	12.3
135.08006	2.0
135.11682	40.2
135.12718	2.4
143.08533	3.1
145.10141	4.3
147.11667	5.9
149.09596	1.4
149.13261	21.3
157.10127	1.6
159.11679	2.3
161.13255	4.2
163.11153	2.1
163.14842	4.6
173.13274	2.0
175.14810	2.7
179.10661	2.9
213.16405	1.4
221.15425	4.6
235.16914	14.7
241.19417	1.6
259.20599	5.1
277.18088	7.0
277.21591	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97748	1.4
53.03924	2.6
55.01860	4.6
55.05507	18.4
56.05845	8.1
56.96549	2.2
57.03418	2.4
57.07057	3.5
58.28513	1.4
59.22330	1.4
59.41140	1.4
65.03596	1.6
65.03948	1.8
67.05498	35.2
68.05828	14.6
69.07064	13.6
70.07397	4.7
70.18313	1.8
70.26936	5.2
70.27351	3.1
71.05004	1.9
71.08604	3.5
79.05486	34.2
80.05827	19.2
81.03414	2.9
81.07049	33.7
82.07386	16.6
83.04988	3.1
83.08597	5.6
84.08936	3.1
85.06508	3.5
91.05473	23.7
92.05804	13.5
93.06477	3.4
93.07037	48.8
94.07367	27.8
95.04974	11.2
95.08598	18.8
96.05278	4.5
96.08928	11.8
97.06504	3.3
97.10131	2.9
98.10484	3.2
98.20847	2.3
99.08041	2.4
105.07038	13.5
106.07387	9.3
107.04944	3.4
107.08588	24.1
108.08906	16.6
109.06494	6.3
109.10153	8.7
110.06869	2.8
110.10480	6.3
117.07005	3.3
118.07317	2.9
119.08572	6.7
120.08881	8.9
121.06512	2.2
121.10136	13.6
122.10481	12.4
123.08069	1.9
123.11677	1.8
124.12006	1.9
130.07297	2.2
131.08585	3.9
132.08922	5.4
133.10139	8.3
134.10451	8.9
135.08026	1.8
135.11711	12.6
136.08427	2.1
136.12016	17.7
137.09622	2.0
138.09991	2.3
144.08882	3.3
145.10121	2.0
146.10472	4.8
147.11697	4.6
148.12048	9.8
149.02377	5.3
149.13261	7.3
150.09978	2.3
150.13544	8.6
152.11504	3.5
157.98911	1.6
158.10448	2.8
162.13489	3.9
163.11162	1.9
164.11543	3.3
164.15182	5.4
165.12756	1.9
166.13116	4.1
172.12073	2.5
174.13618	2.5
175.11308	1.6
175.12840	1.5
176.11560	3.3
176.15141	4.1
176.99686	1.6
178.12991	1.9
181.00183	1.8
208.14168	3.4
222.15785	2.7
232.21436	3.2
236.13623	3.3
236.17274	4.6
242.19815	3.5
255.09032	4.8
256.44678	2.0
260.20889	10.2
273.10126	3.8
278.21942	100.0
278.28363	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03926	3.7
55.05505	16.6
64.38978	1.9
65.03889	1.8
67.05499	29.2
67.70937	1.6
69.07063	13.3
70.84402	5.6
71.04977	1.9
71.34926	1.7
79.05490	70.7
81.07050	36.6
83.05039	2.0
83.08624	8.4
83.89272	1.7
91.05472	26.4
92.15054	1.8
93.07035	100.0
95.04965	8.6
95.08601	23.7
95.71852	1.9
97.10172	2.5
105.07028	15.0
106.65161	2.1
107.07864	3.8
107.08584	52.7
109.06501	2.4
109.10139	12.2
117.07019	3.1
119.08566	9.4
121.10136	42.1
123.11696	3.0
125.09672	1.7
125.73607	2.0
131.08578	2.8
133.10104	11.2
135.11688	57.3
143.24393	1.7
145.10120	3.9
147.11679	8.9
149.09554	1.7
149.13240	25.6
157.10027	1.7
159.11684	5.9
161.13266	5.5
163.14809	6.2
171.11652	3.8
173.13283	2.5
175.42468	1.9
207.13873	3.3
221.15356	2.4
235.16966	4.9
241.19498	2.5
259.20621	3.7
264.78943	1.8
277.21616	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.07743	2.2
53.03944	4.7
55.05513	19.6
57.03421	2.9
57.07069	3.8
57.19172	2.8
60.68509	2.8
67.05173	3.6
67.05509	44.4
69.07078	17.2
69.82856	13.6
71.05006	3.6
78.69793	2.5
79.05067	4.5
79.05499	77.7
81.06583	3.6
81.07063	48.1
83.04984	4.2
83.08623	8.9
91.05489	28.3
93.06479	5.8
93.07052	100.0
93.07632	6.6
95.04955	9.7
95.08614	37.4
95.50365	2.6
97.06508	3.3
97.10123	5.3
98.20811	3.3
105.07027	19.8
107.08598	54.6
109.06500	4.6
109.10162	14.7
111.08183	3.3
117.06995	5.3
117.09449	2.4
118.06513	2.4
119.08561	20.1
121.10154	52.2
123.08026	3.5
131.08589	5.0
133.10112	12.0
135.11700	59.8
137.09560	5.8
145.10139	4.3
147.11661	9.7
149.13264	28.2
161.13269	5.7
163.14806	4.7
171.11763	4.3
175.14874	3.5
187.14751	3.4
221.15343	4.3
235.16954	6.3
256.32227	2.7
259.20541	5.5
277.21634	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	4.9
55.01871	3.0
55.05509	19.8
57.03419	6.5
57.07077	11.8
67.05505	49.9
69.07074	15.4
69.89736	12.0
70.84072	1.9
71.04987	4.5
71.08633	2.2
73.02895	2.3
79.05493	71.2
81.06589	3.2
81.07055	55.8
83.04984	3.6
83.08598	9.8
85.06538	5.3
85.08379	1.9
91.05473	32.2
93.07041	100.0
95.04960	10.1
95.08608	39.6
96.50073	2.4
97.06537	3.5
97.10168	5.8
99.08075	4.7
100.95090	2.2
105.07020	22.4
107.04978	2.4
107.08596	54.3
109.06512	6.9
109.10157	18.0
111.08033	2.7
112.86652	2.0
117.07011	6.9
119.08578	19.0
121.09319	3.5
121.10135	44.0
123.08053	3.4
123.11721	5.5
129.06985	2.3
131.08563	9.1
133.10132	17.6
135.11697	46.7
145.10127	6.8
147.11708	12.5
149.13268	25.1
151.11217	5.7
152.76540	2.2
157.10168	3.1
159.11679	4.5
161.13261	6.2
163.11229	4.3
163.14828	5.9
171.11671	4.7
175.14838	3.0
179.10730	6.0
185.13257	3.7
187.14752	6.0
195.13818	4.6
205.15915	2.6
221.13234	2.6
221.15279	3.8
235.16905	23.4
241.19547	5.8
259.20499	13.5
277.18161	11.3
277.21646	85.6
278.21542	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.66978	1.6
53.03944	3.1
55.05508	19.1
67.05505	36.1
69.07070	15.6
71.04976	3.4
79.05492	55.7
81.07059	51.2
83.04957	1.7
83.08610	9.4
85.06518	2.3
91.05478	20.6
93.07042	82.0
95.04942	5.2
95.08610	29.7
96.50941	1.7
97.06590	2.1
97.10149	5.2
105.07030	12.5
107.08596	48.5
108.08884	1.6
109.06541	1.8
109.10133	12.4
111.08092	3.7
119.08609	8.4
121.10143	47.6
123.08049	2.1
123.11725	2.6
129.06985	1.7
131.08568	4.6
133.10112	18.5
135.11688	47.3
143.08566	2.4
145.10139	4.5
147.11687	8.3
149.09616	2.6
149.13269	43.6
157.10164	3.3
159.11736	2.6
161.13261	5.3
163.11104	1.9
163.14818	12.9
165.12825	2.6
171.11693	4.0
173.13231	1.9
175.14862	2.5
181.12196	3.1
185.13213	2.5
193.12254	2.4
195.13773	4.5
199.14879	1.9
202.29108	1.7
207.13857	2.5
209.15454	2.3
221.15329	2.4
235.16946	4.5
259.20624	4.8
267.72659	2.0
277.21634	100.0
278.22104	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.30141	1.8
53.03941	5.8
54.21220	1.7
55.01857	2.1
55.05509	18.8
57.07069	16.0
67.05499	45.4
69.07063	18.9
70.84205	5.6
74.58676	1.6
79.05489	79.2
81.07051	46.6
83.08619	8.2
85.06517	2.9
85.87101	1.8
91.05479	30.8
93.07037	100.0
94.56817	1.6
95.04958	15.4
95.08605	34.0
97.06519	1.9
97.10149	3.4
105.07022	15.7
107.08588	53.4
109.06503	2.2
109.10141	16.6
117.07033	2.4
119.08589	14.6
121.10141	37.8
123.08058	2.1
123.11714	4.2
131.08548	5.0
133.10136	13.5
135.11682	54.8
143.08513	2.6
145.10146	3.9
147.04361	2.1
147.11665	8.6
149.09579	2.2
149.13251	22.7
159.11679	3.3
161.09676	3.1
161.13278	5.3
163.11197	2.4
163.14798	5.7
171.11789	2.2
173.13329	2.6
175.14722	2.1
177.12679	2.0
179.10687	8.1
185.13438	2.6
195.65280	1.8
219.13789	1.9
221.15379	2.9
235.16919	32.2
259.20554	3.2
269.53323	1.9
277.18051	20.8
277.21616	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97918	0.5
60.97694	0.6
61.48966	0.4
70.02712	1.8
91.06920	0.5
92.53657	0.5
93.07043	0.5
101.00874	0.7
103.02448	1.1
104.33355	0.5
106.20139	0.5
113.15573	0.5
117.20107	0.6
119.01926	2.7
121.03496	0.8
125.66634	0.6
131.01921	1.3
133.03464	2.1
138.05481	1.5
145.03508	1.0
151.04553	1.6
155.01846	0.7
157.03506	0.5
161.02998	2.4
163.02673	0.6
173.02908	0.8
173.41560	0.5
175.04518	1.7
187.04538	0.7
189.06125	0.6
201.06039	0.9
217.05669	1.0
245.05124	1.0
249.57430	0.5
263.15375	0.6
277.03198	7.4
277.08969	100.0
278.09375	0.6
292.19424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74991	2.2
53.03939	5.7
55.01873	2.3
55.05510	21.8
57.07059	2.9
61.70924	1.6
67.05499	34.4
69.07070	16.2
69.49319	1.8
70.48509	6.5
72.74316	2.0
77.30967	1.8
79.05492	74.3
81.07057	37.4
81.52571	1.6
83.05006	2.1
83.08620	8.9
89.44820	1.8
91.04960	3.6
91.05473	31.3
93.07043	100.0
95.04971	7.9
95.08607	22.9
97.10178	4.4
105.07006	11.2
107.08587	53.1
109.06509	3.0
109.10155	14.3
115.54005	2.1
117.07001	3.2
119.08597	12.2
121.10128	39.3
131.08566	3.7
133.10106	11.0
135.10684	3.7
135.11690	57.5
143.08585	2.0
145.10173	2.4
147.03052	1.8
147.11661	5.3
149.13263	23.5
159.11720	3.2
161.13272	2.8
161.19661	2.0
163.11153	2.6
163.14838	5.3
171.11761	2.0
173.13255	2.4
175.14929	3.1
185.13203	2.5
195.13898	2.5
207.13835	2.3
221.15231	2.7
235.16945	5.2
259.20520	3.4
277.21616	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	31.2
57.07061	28.4
68.02659	9.3
71.56756	16.8
76.94485	8.0
79.05457	14.1
79.80380	9.3
81.03394	11.6
88.15148	8.8
91.05473	9.6
93.07048	19.3
98.97586	61.0
101.00893	13.6
111.56941	8.3
114.41414	9.4
116.98602	81.8
119.01922	91.0
121.01663	11.6
123.55839	8.6
127.04144	7.9
131.01915	11.3
131.08501	9.2
134.99635	91.5
135.04376	11.4
137.02930	37.7
143.01927	12.7
145.03468	12.1
147.03201	11.0
153.00708	21.5
157.03470	25.4
161.02925	54.9
163.03900	100.0
175.04543	41.2
177.00957	79.1
178.00908	9.7
179.00729	21.2
179.03999	11.2
194.94781	13.4
203.03946	13.2
210.95872	10.6
219.02013	66.3
234.99872	10.5
235.06664	10.5
235.16901	28.0
236.99561	24.5
254.96570	9.5
258.99695	50.2
259.99731	9.7
276.97662	12.2
277.00705	87.8
277.05234	16.7
277.07977	43.7
277.17950	29.2
294.97833	23.0
295.06046	18.6
295.09149	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54552	16.9
63.13437	17.9
67.09121	15.1
69.95434	85.6
84.08132	100.0
90.63586	14.8
127.96870	15.7
169.97235	17.7
248.72144	17.3
277.03162	46.5
277.09018	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	67.8
69.03421	25.8
69.91055	99.2
69.91397	20.2
78.98210	14.3
85.02895	22.8
98.21487	26.7
98.97587	93.0
110.97569	32.8
116.98578	33.8
119.01914	29.6
128.98593	37.6
131.00117	22.2
134.99689	22.2
146.99634	35.3
158.99629	18.9
161.02963	40.9
164.47961	15.7
176.08125	14.7
177.00731	28.6
219.01768	33.0
237.02792	100.0
245.04976	21.9
277.03226	39.9
277.06631	29.6
295.07047	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01868	2.7
55.05513	15.9
57.03427	4.0
65.03941	1.5
67.05180	1.4
67.05508	20.2
69.07073	12.0
69.98026	2.9
69.98438	4.1
71.04990	2.7
75.09601	1.2
79.05497	24.4
81.07060	19.3
83.04966	2.6
83.08596	4.7
85.06518	1.7
90.32173	1.1
91.05483	49.8
93.07045	20.1
95.04960	3.1
95.08620	12.9
97.06511	2.8
97.10165	3.0
98.21288	2.5
103.05481	3.2
104.63019	1.3
105.07036	67.9
106.07361	1.4
107.04942	3.3
107.08598	15.4
109.06519	2.8
109.10139	5.8
115.05460	1.6
117.07018	12.0
119.08582	39.5
121.06488	3.0
121.10131	7.2
123.08042	1.2
123.11742	1.4
129.06953	2.1
130.07770	1.3
131.08572	15.9
133.10133	34.6
135.08078	3.9
135.11685	2.9
143.08575	4.4
145.10130	16.2
147.11694	30.4
149.09625	3.9
150.54396	1.4
155.08600	1.9
157.10059	3.2
159.11661	12.5
161.09674	2.3
161.13257	8.2
163.11153	3.2
169.10114	1.4
171.11653	3.7
173.13272	4.4
175.11163	1.5
183.11696	3.6
185.13264	4.6
203.14307	3.0
215.17853	1.7
219.17468	1.6
239.17897	3.5
257.19058	9.7
275.20068	100.0
275.27698	7.1
276.20346	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	2.0
55.01861	3.0
55.05508	16.1
60.97661	1.3
65.03921	1.5
67.05503	19.9
69.07070	9.1
69.25076	5.5
69.25494	10.9
71.04991	2.3
75.35337	1.5
79.05489	23.3
81.07054	22.9
82.88219	1.3
83.04955	3.5
83.08617	7.0
85.06515	1.8
91.05478	45.7
93.07043	19.2
95.04956	5.2
95.08600	13.8
96.37440	1.2
97.06528	2.9
97.10202	2.6
103.05445	1.8
105.07030	69.0
107.04934	2.6
107.08594	12.9
109.06510	2.1
109.10133	6.0
115.05431	1.7
117.07019	11.2
119.08574	38.7
121.06497	1.5
121.10162	6.4
123.08077	3.5
123.11755	2.5
125.09552	1.6
131.08563	16.9
133.10129	44.1
135.08057	4.2
135.11661	3.4
141.06961	1.5
143.08575	1.5
145.10133	18.6
147.11685	27.6
149.09619	4.5
157.10199	3.3
159.11659	10.6
161.13268	4.2
161.66209	1.3
163.11130	3.1
169.10191	1.9
171.11705	4.8
173.13257	5.3
175.14830	1.4
177.12807	2.5
183.11676	2.8
185.13240	1.4
197.13287	1.9
201.12703	1.8
220.22560	1.2
239.18024	6.6
257.19016	11.1
275.20068	100.0
276.20297	3.1
286.48322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03947	0.8
54.42572	0.7
55.01854	2.2
55.05508	16.3
56.57706	0.7
57.03430	0.8
57.07068	1.8
58.07387	0.6
59.04985	0.8
65.03909	1.3
67.05499	15.8
69.03435	0.8
69.07066	8.5
70.06576	2.4
71.04968	1.4
71.06899	0.7
79.05489	16.4
81.06584	1.1
81.07052	16.7
83.04980	2.0
83.08611	7.0
85.06536	1.8
88.07619	1.9
91.05478	47.8
93.07050	11.7
95.04951	2.4
95.08601	9.7
97.06493	0.9
97.10195	3.9
97.10690	0.7
102.09152	1.3
103.05465	1.6
105.07026	80.2
106.08657	1.4
107.08585	12.8
109.06507	1.6
109.10157	4.8
117.07009	9.6
119.08573	35.8
121.06493	0.9
121.10130	4.1
123.08101	1.1
123.11689	1.3
125.09638	2.2
129.06989	1.4
131.08563	15.8
132.09416	0.8
133.10121	48.5
135.11664	2.3
143.08575	2.6
145.10117	22.4
146.10818	1.2
147.11682	37.2
149.09602	3.5
155.08519	0.9
157.10127	3.4
159.11682	8.5
161.09587	1.0
161.13280	5.8
163.11148	1.5
169.10100	1.3
171.11691	2.8
173.13245	2.4
178.05037	0.8
183.11702	2.7
185.13275	0.8
197.13274	2.2
206.95976	0.7
211.14906	1.0
219.13725	1.1
233.15581	0.9
239.17937	5.5
257.18954	10.6
257.26706	1.5
275.20053	100.0
275.27737	14.7
276.20490	4.3
293.69760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.15998	1.7
53.03959	1.8
55.01857	6.4
55.05507	18.9
57.03426	2.3
64.69418	1.6
65.03943	2.0
67.05500	23.7
69.07070	12.8
71.02601	4.1
71.04978	2.2
78.70245	1.4
79.05064	2.5
79.05487	31.7
81.07056	33.3
81.09758	1.5
83.04990	2.0
83.08620	8.1
91.05476	58.6
92.05795	1.9
93.06482	2.8
93.07041	24.3
95.04947	5.8
95.08607	16.1
97.06510	3.9
97.10175	4.1
105.07026	84.8
107.04936	4.7
107.08588	19.6
109.06487	4.8
109.10155	10.9
111.69756	1.5
117.07027	14.7
119.08580	49.3
121.06508	4.9
121.10140	8.8
123.08044	3.0
123.11683	3.8
125.09660	1.8
129.06989	2.3
131.08574	19.1
133.06511	1.8
133.10126	53.0
135.08060	3.3
135.11685	5.5
137.09605	3.5
141.06895	1.6
143.08534	2.5
145.10117	20.0
147.08023	2.0
147.11676	28.3
149.09615	7.7
151.11147	3.1
155.08499	2.4
157.10109	5.5
159.11623	11.5
161.13266	7.2
163.11214	3.3
169.10110	2.5
171.11688	4.4
173.13271	5.4
183.11732	2.7
197.13370	3.2
229.19577	3.3
233.84230	1.9
239.17941	4.5
247.20546	3.3
257.19052	9.8
275.20050	100.0
276.20392	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.01870	2.4
55.05506	11.6
55.18385	1.5
64.48299	1.3
67.05216	1.6
67.05502	16.3
69.07063	13.8
69.52388	1.4
70.48232	3.6
70.48627	4.1
71.04983	3.9
78.09164	1.5
79.05496	17.4
81.07057	18.0
81.66920	1.4
83.04923	1.7
83.08590	4.6
85.06549	1.7
91.05476	51.5
93.07045	15.5
95.04942	3.5
95.08591	14.4
97.06528	3.0
97.10144	3.1
102.86061	1.4
103.05482	2.3
105.07026	78.2
107.04916	2.4
107.08592	14.7
109.06476	2.8
109.10156	5.0
117.06990	12.6
117.81258	1.4
119.08577	41.3
121.10113	4.5
123.11673	2.1
124.62153	1.5
131.08545	13.7
133.06584	1.8
133.10133	45.4
135.08083	1.8
135.11696	3.9
143.08539	2.3
145.10121	18.4
147.11676	29.8
149.09601	5.0
157.10078	2.9
159.11656	9.2
161.13234	8.7
163.11166	4.2
171.11671	3.5
173.13203	3.9
239.17926	4.4
257.19009	7.5
275.20047	100.0
276.20419	3.9
291.60190	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.48355	1.5
53.50101	1.4
55.01847	3.0
55.05513	17.9
57.03424	1.6
62.95283	1.5
67.05502	20.4
69.07066	10.6
69.79439	6.6
69.79841	3.0
79.05135	1.6
79.05499	17.8
81.07047	23.4
83.04990	1.9
83.08608	5.6
91.05475	48.1
93.07051	18.2
94.58562	1.4
95.04951	4.4
95.08620	12.9
97.06509	1.8
97.10145	2.6
105.07028	76.9
107.04933	4.2
107.08596	15.2
109.06519	3.0
109.10163	4.7
117.07010	14.2
119.08572	38.4
121.06483	1.8
121.10115	9.7
121.88538	1.4
131.08565	17.1
133.10115	43.4
133.11096	2.9
135.11679	3.4
143.08572	3.6
145.10124	18.7
147.11681	31.0
149.09627	5.0
157.10101	2.5
159.11667	10.8
161.13249	6.3
163.11200	1.8
169.10106	2.2
171.11658	2.7
173.13199	4.9
183.11714	2.6
189.12688	2.1
229.19560	2.2
239.17912	3.6
257.19073	8.8
275.20053	100.0
275.27679	2.7
276.20358	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.7
55.84228	1.8
57.03433	3.1
61.87362	2.2
66.50651	2.0
67.05500	21.7
69.07065	11.5
69.93664	11.5
71.04980	3.1
79.05493	23.0
81.07044	23.0
83.04968	2.8
83.08609	8.7
91.05473	60.2
93.07034	20.1
95.04977	5.1
95.08595	15.2
97.06483	3.6
97.10135	2.9
103.05463	4.0
105.07022	91.0
105.52489	2.1
106.07271	1.7
107.04943	2.4
107.08591	13.8
109.06535	2.8
109.10144	6.2
117.07024	13.4
119.07706	2.5
119.08567	49.7
121.06519	2.4
121.10122	7.4
122.60202	2.0
123.11711	4.2
129.07014	3.8
131.08556	20.6
133.10133	65.8
134.10425	1.9
135.11682	3.4
143.08574	5.2
145.10110	21.4
147.11678	29.4
149.09602	5.3
155.08511	3.0
157.10178	2.9
159.11705	11.8
161.13249	6.8
169.10098	2.8
170.39987	1.8
171.11726	2.3
173.13235	4.5
183.11612	3.1
197.13281	4.3
215.14214	2.0
229.19630	2.0
239.17810	5.4
244.65007	2.4
257.19009	8.4
275.20041	100.0
276.20325	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	2.0
55.01860	7.1
55.05505	21.6
57.03425	7.0
67.05505	34.6
69.07069	14.9
69.31060	18.7
71.04980	1.8
73.21932	1.7
73.29723	1.9
79.05493	48.1
81.03408	3.6
81.07053	43.5
81.95396	1.8
83.04966	2.0
83.08607	7.2
85.06545	3.3
87.71667	1.9
89.08913	1.8
91.05479	57.3
93.07043	34.8
95.04957	6.1
95.08609	21.8
97.06515	3.1
97.10152	1.8
103.05463	3.4
105.07030	71.7
105.69369	1.8
107.04956	32.4
107.08607	19.3
109.06509	8.1
109.10143	8.0
111.08073	2.9
117.07022	16.7
119.08584	50.8
119.50788	1.8
121.06477	4.5
121.10130	11.6
123.08018	3.4
123.11671	2.2
131.08572	20.3
133.06395	2.1
133.10130	35.7
135.08064	15.1
135.11646	2.7
137.09669	2.2
140.73436	1.8
143.08585	3.1
145.10118	13.5
147.11687	23.0
149.09634	12.2
157.10185	3.8
159.11700	6.4
159.90472	1.8
161.13231	3.7
163.11229	3.0
171.11708	2.7
173.13350	5.2
183.11708	2.6
229.19525	2.2
239.17961	2.9
247.20598	3.8
257.19000	8.1
275.20062	100.0
276.20325	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.01865	3.2
55.05508	13.5
55.45536	1.6
58.54559	1.7
67.05497	17.2
69.07058	10.7
79.05130	1.8
79.05492	17.6
81.07050	19.8
83.04950	1.8
83.08636	8.1
84.46056	1.5
91.05475	49.9
93.07042	13.5
95.04956	4.2
95.08595	12.7
97.06514	1.5
97.10179	3.0
98.16547	1.5
101.27470	1.6
103.05454	2.6
105.07027	87.4
107.08580	19.4
109.10130	3.1
117.07013	11.2
119.08575	38.9
121.10118	3.6
123.08017	2.1
129.06970	3.3
131.08563	12.1
133.10118	51.8
135.11670	4.8
143.08559	3.4
145.10107	25.1
147.11674	35.8
149.09612	3.5
159.11702	7.7
161.13240	5.7
171.11658	3.8
187.14857	1.7
229.16014	1.6
239.17926	5.6
257.19009	11.5
275.20041	100.0
275.27731	6.1
276.20398	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.6
55.01860	5.5
55.05507	17.1
58.07413	1.5
65.03949	2.2
67.05505	18.8
69.07073	10.2
69.65931	10.7
71.04977	2.0
79.05492	18.7
81.07056	16.7
83.04967	2.9
83.08609	6.0
91.05480	50.7
93.07041	18.8
95.04929	2.3
95.08597	12.9
97.06490	2.2
97.10149	4.1
103.05475	1.8
105.07028	74.0
107.04947	6.4
107.08597	16.0
109.06505	2.3
109.10172	8.3
114.39410	1.4
117.06997	11.9
119.08584	37.6
121.06569	3.3
121.10123	5.9
123.11707	1.5
129.07066	1.5
131.08563	17.0
133.10129	42.2
135.08015	3.1
135.11673	3.7
145.10118	17.5
147.11682	26.3
149.09621	8.4
155.08589	1.7
157.10181	2.1
158.60890	1.4
159.11684	5.2
161.09618	1.6
161.13235	4.9
163.11096	2.2
170.14513	1.8
171.11694	2.4
173.13287	4.3
183.11705	2.1
185.13324	2.7
186.78911	1.4
197.13293	1.5
210.11920	1.5
229.19476	3.7
239.17992	2.6
257.19046	11.5
275.20059	100.0
276.20380	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05509	18.3
57.07074	1.9
66.48466	1.6
67.05498	15.1
69.07081	8.2
69.98191	8.7
70.06577	3.1
71.04974	2.2
79.05492	18.7
81.07060	20.0
83.04968	2.5
83.08603	6.3
83.10108	1.8
87.62796	1.5
88.07615	4.0
89.07861	1.9
91.05482	43.1
93.07049	14.7
95.08611	12.1
97.06494	2.2
105.07026	72.9
107.04956	2.6
107.08567	15.3
109.10136	4.9
115.05309	1.9
117.07028	9.4
119.08569	34.9
121.06460	2.1
121.10166	6.3
131.08583	11.3
133.10123	47.3
135.11685	3.3
143.08490	3.8
145.10120	25.7
147.11687	40.0
149.09628	3.3
157.10130	2.6
159.11731	9.6
161.13239	5.8
171.11726	4.3
173.13260	3.4
183.11664	3.3
192.17630	1.8
197.13226	2.0
239.17883	5.7
257.19009	11.1
257.26831	1.9
275.20044	100.0
275.27756	29.2
276.20462	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05512	11.4
57.03434	3.2
67.05501	10.3
69.07069	9.2
70.71893	5.8
71.04863	1.8
79.05500	14.5
81.07060	14.6
83.05013	2.3
83.08610	6.2
91.05480	46.0
93.07049	13.0
95.04973	2.9
95.08633	12.2
97.06471	2.0
97.10176	2.5
103.05418	1.7
105.07028	67.2
107.08598	9.6
109.06516	2.3
109.10152	3.1
109.53781	1.6
110.41175	1.8
115.05361	2.0
117.07009	10.9
119.08576	38.3
121.10160	2.7
129.06976	3.6
130.29492	1.6
131.08565	14.2
132.09279	2.2
133.10133	33.3
143.08456	2.6
145.10120	17.3
147.11693	35.3
149.09599	3.1
157.10080	3.7
159.11705	13.2
161.13278	7.6
171.11853	2.5
173.13249	4.8
185.13257	5.0
197.13327	2.8
203.14365	2.8
237.86121	1.8
239.17934	5.6
257.19003	11.6
275.20081	100.0
276.20422	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05512	10.6
57.03431	2.8
67.05242	1.2
67.05505	15.5
69.07069	9.5
70.32063	5.6
71.04948	2.0
79.05488	12.0
81.07057	11.1
83.08616	7.1
85.06535	1.8
91.05476	36.5
93.07028	12.7
95.08608	9.7
97.10204	1.9
103.05460	2.0
105.07027	66.6
107.08577	9.0
109.06511	1.5
109.10143	3.8
117.07028	9.6
119.08579	35.7
121.10143	4.6
125.09676	1.5
129.07008	2.6
131.08539	11.3
133.10127	37.3
135.11745	2.3
143.08559	2.0
145.10110	12.2
147.11688	32.6
149.09587	2.5
157.10059	2.4
159.11688	10.6
161.13272	4.1
162.86891	1.5
169.10175	1.5
171.11647	2.4
173.13289	4.5
183.11635	1.6
185.13196	3.9
197.13354	1.8
229.19554	2.3
239.17885	2.8
257.18967	10.5
275.20053	100.0
276.20410	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01861	4.3
55.05502	15.8
67.05508	23.7
69.07050	11.4
70.72294	5.9
70.72675	5.0
71.04983	3.6
79.05106	3.5
79.05492	28.6
81.07056	26.7
83.04990	3.0
83.08605	6.0
91.05476	48.7
93.07043	28.9
95.04942	4.8
95.08595	17.2
96.46793	2.9
97.06522	4.0
97.10186	3.5
98.04577	2.9
99.15822	2.8
105.07032	68.1
107.04943	9.2
107.08603	16.6
109.06519	3.2
109.10143	8.5
112.13560	2.7
117.07011	11.7
118.28098	2.9
119.08580	40.0
121.06508	3.1
121.10136	10.3
131.08562	18.9
133.10152	38.5
135.08038	11.0
135.11687	6.7
143.08539	4.4
145.10120	12.7
147.11646	23.4
149.09592	9.1
157.79657	3.7
159.11688	6.1
160.87701	2.7
161.13226	4.4
171.11716	4.3
173.13199	4.9
214.44321	3.1
215.18158	2.8
233.15475	3.3
234.10623	3.5
257.18988	9.1
272.08252	3.2
275.20059	100.0
275.27640	3.7
276.20313	3.9
279.46335	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	2.4
55.01861	3.5
55.05269	1.4
55.05508	18.3
57.03441	1.5
57.07058	1.5
57.14502	1.3
63.62751	1.3
65.03937	1.7
67.05502	18.9
69.03411	1.6
69.07068	15.5
70.84171	3.8
71.04968	2.0
73.06551	1.4
79.05492	19.5
81.07055	21.3
83.08627	6.4
85.06499	1.3
91.05474	43.0
93.07034	22.4
95.04985	2.8
95.08606	13.4
97.06535	2.4
97.10159	3.9
103.05452	3.1
105.07027	70.4
106.51846	1.3
107.04939	4.7
107.08582	17.8
108.43495	1.2
109.06521	6.3
109.10150	5.5
111.08053	1.4
115.05479	1.5
115.10509	1.1
117.06998	12.9
119.08574	39.7
121.06467	3.9
121.10120	7.4
123.08066	2.2
123.11693	1.7
125.09597	1.7
129.07025	4.3
131.08568	18.4
133.06519	1.9
133.10127	43.6
135.08020	4.5
135.11681	4.2
143.08569	3.3
145.10118	20.3
146.10909	1.6
147.08112	1.3
147.11671	31.2
149.09624	4.8
149.13237	1.6
155.08595	1.4
157.10127	5.0
159.08041	1.7
159.11662	8.8
161.09663	2.9
161.13277	6.5
163.11194	3.9
171.11679	3.8
173.13249	3.5
175.14885	1.7
177.12723	1.9
179.84129	1.5
183.11778	3.9
187.14742	1.6
197.13269	2.3
211.14810	1.4
229.19519	3.8
239.18016	6.2
247.20544	3.0
257.18997	25.3
275.20056	100.0
276.20383	2.4
283.25858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01845	4.5
55.05504	18.0
57.03428	3.8
62.42802	1.5
65.03908	1.7
67.05242	1.4
67.05510	16.5
69.07066	12.1
79.05489	24.7
81.03473	1.8
81.07047	22.0
82.99241	1.6
83.04980	2.7
83.08613	5.2
91.05479	49.1
93.07036	24.4
95.04954	3.6
95.08598	13.5
97.06541	2.5
97.10183	3.2
98.20782	3.4
105.07027	72.2
107.04945	7.1
107.08574	15.3
109.06534	2.1
109.10136	6.7
112.55551	1.7
114.95766	1.6
117.07012	10.3
117.14866	1.6
119.08580	40.1
121.06468	2.2
121.10126	9.1
123.11733	1.7
129.06985	2.9
131.08572	15.6
133.10139	49.6
135.08018	5.4
135.11703	3.0
143.08578	1.8
145.10118	19.6
147.11684	35.9
149.09634	4.4
157.10052	3.2
159.11707	9.0
161.13232	5.2
171.11684	2.8
173.13297	2.5
183.11713	2.8
239.17950	6.2
247.16905	2.2
257.18939	12.3
275.20047	100.0
276.20499	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	20.2
67.38185	2.5
68.24086	2.2
70.58471	2.2
71.56860	3.9
79.02321	2.1
93.46280	2.4
98.86459	2.1
98.97580	86.0
116.98616	100.0
119.01883	8.8
133.24956	2.4
134.99648	62.6
153.00711	7.8
169.03419	3.8
177.01035	3.5
190.95340	6.3
208.96352	3.2
216.98767	5.0
219.01967	4.6
232.96397	10.0
234.99823	11.5
239.37343	2.4
250.97424	7.1
256.96353	13.1
274.97476	82.5
275.06219	4.3
288.30203	2.4
292.98489	92.5
297.99158	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.7
53.90837	1.0
55.01857	1.1
55.05513	14.6
57.03429	2.1
63.09430	1.0
64.08810	1.0
67.05508	14.4
69.07079	7.9
69.31971	1.1
70.83727	3.1
71.04983	1.6
79.05490	13.9
81.07054	11.1
83.04964	1.2
83.08603	6.3
85.06517	1.8
91.05479	41.4
93.07047	12.7
93.62540	1.2
95.04939	2.5
95.08599	10.1
97.10181	1.4
103.05429	1.3
105.07030	74.3
107.08589	10.8
109.10135	3.2
115.58020	1.1
117.07035	8.8
119.08586	38.5
121.10150	5.5
123.11704	0.9
125.09602	1.6
129.06975	2.3
131.08566	10.9
133.10127	43.5
135.08028	1.1
135.11664	2.2
141.07034	1.1
143.08571	3.0
145.10132	14.4
147.11687	33.7
149.09653	1.6
149.94016	1.0
155.08472	1.0
157.10150	3.3
159.11681	9.5
161.13271	6.8
171.11693	1.9
173.13229	2.4
175.14984	1.5
183.11740	1.8
185.13245	2.7
197.13156	1.9
203.14392	1.2
239.17902	2.8
254.31828	1.2
257.19037	9.8
275.20056	100.0
276.20346	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51474	0.4
52.73005	0.5
53.03944	0.6
55.01848	0.4
56.05013	0.5
56.96563	4.3
57.03426	0.8
58.06594	2.2
59.38281	0.4
61.02916	1.3
69.03423	1.9
69.03761	0.4
69.07067	6.7
70.06615	2.3
70.98130	0.5
71.07362	1.5
71.30382	1.1
72.08135	2.1
73.02917	0.9
79.95874	0.4
81.03382	0.7
84.04482	1.4
84.08131	0.7
85.02901	1.8
87.04476	0.9
92.05002	0.9
97.02898	1.7
98.97556	2.4
100.11251	100.0
110.06009	1.7
111.06364	0.9
112.03948	1.2
113.07133	0.5
116.07062	0.8
116.98640	1.7
119.01900	0.7
125.07101	1.1
128.02234	0.5
130.05008	2.1
146.99585	0.7
147.07645	3.8
150.21756	0.5
154.03851	0.9
154.53972	1.0
163.02800	1.7
163.04433	2.5
163.54588	1.7
164.04550	0.6
177.00685	0.9
181.03815	1.1
183.54399	0.5
190.98589	0.6
219.01784	0.6
237.02864	1.0
274.09030	0.9
274.17590	4.1
275.11139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03938	4.4
55.05511	21.2
57.07058	13.1
67.05499	31.2
69.07059	48.2
70.03560	15.9
71.08630	5.4
75.64460	3.4
79.05491	20.1
80.31171	3.0
81.06584	5.6
81.07057	75.5
83.08613	20.2
91.05460	21.0
93.07042	45.9
94.19962	3.4
95.04990	4.1
95.08598	78.4
97.10146	11.5
98.20701	3.7
104.15726	4.2
105.07038	28.2
107.08581	61.1
109.10148	64.7
109.46743	3.7
111.11687	4.7
119.08573	29.5
121.10136	45.1
123.11697	40.4
125.13275	4.9
131.08554	4.4
133.10104	22.3
135.11679	39.2
137.13234	19.9
145.10020	5.1
147.11671	23.7
149.13248	44.5
151.14789	8.8
156.04233	11.5
161.13263	34.3
163.14767	26.9
172.77263	3.9
175.14830	16.0
177.16397	20.9
189.16365	19.6
191.18007	10.9
203.17888	20.0
217.19554	26.8
273.25760	100.0
279.32211	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2212
Annotation	androstenone
Peak:m/z	Relative Intensity
51.46321	1.7
53.03922	3.7
55.01864	2.2
55.05512	14.6
57.07071	3.8
65.90188	1.8
67.05502	16.6
69.07066	11.4
70.82115	6.2
71.04996	14.6
77.56422	2.0
79.05487	17.0
81.07055	43.6
83.04977	2.6
83.08601	4.6
85.06512	4.2
91.05482	24.0
93.07039	32.0
95.04956	8.9
95.08605	29.6
97.06484	2.4
97.10168	4.1
98.41824	2.6
102.89169	2.3
105.06417	2.7
105.07041	42.0
107.04926	6.8
107.08597	29.4
109.06510	7.9
109.10156	15.2
111.08049	12.8
113.09642	11.6
114.46103	2.4
117.07018	13.6
119.08581	63.0
121.10129	24.3
123.08062	4.2
123.11707	10.7
129.06992	9.3
130.07732	3.2
131.08559	28.8
133.10124	20.9
135.11662	8.7
137.09573	3.4
142.07722	2.6
143.08565	10.8
143.95949	2.3
145.06421	3.3
145.10115	34.5
147.08055	6.1
147.11691	17.9
149.09627	4.1
149.13242	6.8
151.11223	2.6
156.09332	4.0
157.10097	17.9
158.10860	2.1
159.08058	2.4
159.11681	57.5
161.09599	5.6
161.13252	16.3
163.11087	3.8
163.14827	3.8
165.12657	2.3
171.11665	12.0
173.13255	20.1
175.11186	3.4
175.14801	7.9
177.12740	8.6
179.14323	3.5
185.13330	9.7
187.14819	8.8
189.16394	6.0
199.14850	20.0
203.14249	2.7
203.17950	3.6
213.16406	12.5
215.17952	60.9
217.15865	5.3
227.17899	5.1
229.19521	11.6
231.17357	4.5
245.19014	3.0
255.17274	3.3
255.18149	3.6
255.21068	56.6
262.33713	2.1
273.18530	29.4
273.22104	100.0
274.22531	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.17428	1.8
53.03936	5.7
55.01871	9.8
55.05512	19.0
57.03414	3.3
64.90430	1.8
67.05510	40.8
68.39074	2.0
69.03430	3.8
69.07075	13.8
69.94471	10.7
79.05496	41.1
81.03412	7.8
81.07063	45.7
83.04982	7.0
83.08611	6.1
85.06510	3.1
91.05486	57.7
93.07047	37.3
95.04977	19.5
95.08620	36.9
97.06528	4.3
98.21477	2.7
102.05798	1.7
103.05441	3.3
105.07034	46.3
107.04948	18.7
107.08581	17.7
109.06529	21.9
109.10151	7.5
111.08064	4.0
114.55929	2.0
115.05466	4.4
117.07018	25.0
119.04952	3.9
119.07785	3.2
119.08584	35.1
121.06490	11.0
121.10150	9.1
123.07281	2.0
123.08067	11.5
128.06242	6.6
129.07004	19.7
130.07753	3.5
131.08568	35.7
133.06509	13.7
133.10146	24.7
135.08076	19.0
135.11652	2.5
137.09647	15.2
139.82848	2.1
141.07036	4.8
142.07782	2.6
143.08569	18.3
145.06500	8.0
145.10136	24.5
147.08058	13.6
147.11697	10.0
149.09647	14.5
151.11211	5.1
155.08578	4.0
156.09286	2.2
157.06519	2.0
157.10115	14.9
159.08023	6.2
159.11694	13.0
159.75522	2.0
161.09622	30.5
161.13239	2.8
163.11162	5.8
165.09119	2.7
167.08583	2.5
169.10083	3.8
171.08032	2.2
171.11681	12.8
173.09656	6.1
173.13301	4.3
175.11163	17.5
176.11613	1.9
177.09174	2.2
177.12819	2.6
179.10672	2.5
181.10143	3.5
185.09602	4.6
185.13261	6.1
186.10571	2.1
187.11131	4.8
189.12785	7.7
191.10724	2.6
195.11681	3.7
199.11215	4.4
203.10631	2.3
213.12729	7.4
213.16376	7.0
217.12306	2.7
227.17996	9.3
231.17456	2.8
237.16391	7.2
245.19029	10.1
255.17421	17.9
273.18509	100.0
274.18753	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.07197	0.8
51.92587	0.7
53.03931	1.1
55.01871	4.5
55.05511	13.9
57.03436	1.0
57.07072	1.0
65.03939	2.1
66.36301	0.8
67.05502	16.5
69.03421	1.5
69.07066	7.2
69.86986	5.3
71.04984	1.5
76.04414	0.8
79.05495	14.4
81.03432	1.1
81.07054	14.0
83.04984	1.9
83.08602	3.7
85.06547	1.7
91.05475	29.7
93.07040	12.3
95.04968	4.3
95.08606	8.4
97.06526	2.9
97.10104	1.6
98.20759	1.1
99.54213	0.9
103.05446	2.2
105.07027	24.6
107.04303	0.8
107.04934	6.1
107.08581	6.9
109.06520	1.4
109.10127	4.0
111.08095	1.4
115.05468	4.3
116.06209	2.3
117.07011	17.8
119.04917	1.5
119.07795	1.6
119.08585	21.3
121.06506	4.1
121.10130	3.2
123.08059	2.5
128.06212	3.4
129.07004	12.7
130.07796	5.2
131.08562	44.7
132.05707	0.9
133.06490	4.2
133.10133	7.9
135.08051	3.4
135.11685	1.7
137.09662	1.1
142.07770	3.0
143.08562	14.4
144.09286	1.2
145.06468	3.6
145.10115	31.2
147.08041	12.1
147.11620	2.3
149.09607	3.4
155.08522	1.9
157.06566	1.2
157.10109	8.0
159.08057	7.8
159.11699	8.7
161.09605	12.1
163.11148	2.3
169.10121	2.6
171.11705	5.3
172.62581	0.9
173.09622	3.3
173.13280	2.1
175.11183	6.8
177.09088	2.3
177.12715	1.1
181.10088	2.1
183.11758	1.6
185.09595	1.6
185.13268	3.4
187.11192	2.0
189.12709	1.9
192.19055	0.9
195.11691	2.5
199.11191	3.6
199.14804	0.9
201.12662	0.8
209.13313	1.3
211.14827	0.9
213.12704	1.8
213.16399	1.3
227.17950	2.7
237.16457	3.5
245.19109	2.9
255.17416	9.0
273.03812	1.1
273.18491	100.0
273.29834	1.7
274.18784	2.3
279.27670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1121
Annotation	Eulophiol
Peak:m/z	Relative Intensity
54.87371	3.4
55.01859	4.9
55.90002	3.7
55.93501	3.4
56.96563	8.1
61.02942	4.6
65.03954	4.1
67.05496	5.4
69.03421	12.7
69.07058	13.1
70.06580	9.0
70.94727	3.8
71.57644	4.7
75.79433	3.4
78.62376	3.3
79.05477	6.8
81.03398	4.5
81.07041	5.5
83.05006	7.3
84.04508	4.5
84.08147	5.6
85.02892	7.5
91.05492	17.7
93.07052	7.5
95.04972	13.9
95.08586	4.9
97.02874	8.8
98.97553	4.9
105.06952	4.8
107.04947	12.8
109.94978	3.6
111.04457	5.9
116.98611	6.8
117.06993	5.3
119.04953	8.8
121.06503	26.7
123.04436	9.1
127.03875	4.3
131.04919	5.8
131.08456	3.7
133.02838	3.7
134.03651	8.3
134.99680	6.5
135.04434	4.4
137.02348	11.7
137.06006	18.1
145.06548	5.3
146.99631	8.1
149.05971	59.3
151.07530	26.6
152.06224	29.1
153.07004	89.2
163.07585	5.6
165.06979	5.8
167.07259	6.1
167.08572	7.9
169.06479	15.7
170.07259	13.9
171.08080	3.7
175.07570	3.4
180.05678	6.3
181.06456	100.0
181.07909	6.6
182.07265	6.6
183.08057	4.0
195.08072	16.6
197.05942	8.1
198.06729	15.1
199.07578	9.9
209.06007	19.1
213.05586	4.5
213.09088	67.9
219.05270	3.9
221.01376	4.5
223.07574	8.6
226.06070	6.5
227.06961	5.2
227.10716	5.2
235.94188	4.5
239.02266	4.0
239.97243	4.2
241.08568	59.4
273.04095	8.2
273.07687	7.2
273.11087	32.5
273.18503	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01870	9.3
55.05494	0.8
56.96552	4.8
57.03434	20.2
59.04984	0.7
61.02926	14.9
69.03428	43.8
69.07066	2.4
70.03766	1.6
70.06591	4.2
70.89471	1.4
70.89826	1.4
71.01359	1.1
71.04984	4.6
73.02917	36.0
74.03257	1.2
77.00903	1.1
81.03414	14.3
82.06588	0.7
82.99875	2.0
83.01327	0.8
84.08167	1.4
85.02903	100.0
86.03230	2.6
87.04471	4.3
88.02655	0.9
88.07635	0.8
91.03956	4.7
92.05023	0.7
93.01907	0.9
93.05354	1.2
94.02672	1.7
94.99816	0.8
96.02406	1.6
97.02889	38.7
98.03201	1.7
98.97595	3.2
99.04449	7.7
100.02679	1.5
100.07563	1.0
100.11254	20.6
101.00872	6.7
101.02379	1.6
101.03391	1.0
102.02438	2.1
103.03944	1.1
108.02428	1.5
109.02863	8.2
110.03151	1.1
110.06028	2.3
111.02938	5.1
111.05643	1.4
111.06345	1.8
111.22381	0.8
111.52998	0.8
113.00854	1.8
114.02414	1.1
115.02450	1.1
115.03930	2.7
116.07098	1.3
116.98624	2.9
117.02869	1.1
119.01913	29.2
119.51967	0.7
120.02059	2.2
120.03451	1.2
121.01649	1.5
121.03206	0.6
123.02922	3.6
123.52973	0.7
126.03471	2.2
127.03917	30.5
128.02306	0.9
128.04214	1.0
128.98645	1.5
129.02948	2.0
129.03990	0.8
130.03661	0.9
131.01903	15.4
131.02814	1.1
131.66660	0.6
132.01973	1.0
132.03401	3.9
133.03444	3.1
134.99661	2.3
135.02975	1.5
137.02927	6.1
138.03418	7.3
138.53511	1.0
139.02388	0.9
139.04146	0.7
143.01891	63.6
144.02046	7.4
144.03323	6.0
144.53481	0.9
145.01675	1.7
145.03476	7.7
145.04977	11.9
146.05238	1.2
146.99602	2.3
147.01439	1.2
147.03992	7.7
147.05011	1.3
147.54065	1.2
149.01273	1.2
149.02924	4.3
149.54253	1.1
150.03076	0.7
151.04402	0.9
153.03938	9.8
153.54062	1.4
154.03853	1.3
155.01878	23.2
155.03087	1.2
156.02118	3.0
156.03427	1.5
156.04601	1.7
157.03464	3.6
158.54778	1.2
158.99706	0.8
161.02951	87.2
162.03102	11.5
162.04506	4.1
163.02646	3.4
163.04445	4.1
165.03906	3.4
165.54173	1.1
167.01907	3.7
170.05119	1.8
170.99742	1.0
171.05022	1.5
173.02953	56.4
173.55344	2.0
174.03116	6.1
174.04539	13.2
174.54640	2.6
175.02739	2.4
175.04509	2.4
177.00732	1.6
178.55035	0.8
179.03952	1.1
181.03497	0.9
183.05057	17.4
183.55109	5.6
184.04489	5.8
185.02956	27.1
185.04311	1.1
185.55322	1.2
186.03143	3.1
187.04579	1.7
189.00797	1.1
191.03993	9.6
191.53964	0.8
192.04008	0.8
192.05643	7.9
192.55702	2.7
193.05736	0.7
194.55867	2.0
196.04543	3.7
197.02972	4.1
201.06131	3.7
203.04004	56.0
203.56329	1.4
204.04178	6.7
205.03831	1.6
208.04488	1.1
209.03069	1.0
214.05611	1.0
215.04025	8.8
219.01830	1.6
220.04805	0.7
221.05072	7.0
226.05685	1.6
227.04010	4.0
228.12383	1.3
233.05095	10.8
234.05254	1.4
237.02872	1.0
239.06175	1.0
245.05038	23.2
245.07388	1.3
246.05240	3.6
257.05176	2.7
258.05417	0.8
262.03290	0.9
263.06119	20.6
263.08801	1.2
264.06433	3.1
273.04709	1.8
273.09378	2.5
273.12027	1.7
273.14700	1.2
273.17981	1.2
274.08966	0.8
274.17996	1.0
275.06165	5.0
281.07321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01865	0.4
55.05496	0.5
56.96554	0.8
65.03941	0.7
67.01854	2.8
67.05492	1.0
68.99780	2.2
69.03426	1.7
69.07042	0.4
69.26823	4.2
79.01867	0.4
79.05483	0.9
81.03419	0.7
81.07049	0.9
81.34471	0.3
83.01344	0.9
85.02894	0.6
91.00507	0.3
91.05479	9.5
91.18731	0.3
93.07040	1.1
95.04973	2.8
95.08597	0.5
97.02887	1.6
98.20655	0.5
105.07019	1.4
107.04967	2.9
107.08565	0.7
111.00803	0.8
111.04447	0.5
116.98557	0.4
119.04935	18.5
119.08593	1.0
121.06499	1.2
121.10163	0.5
123.04436	3.9
123.08067	0.4
128.06204	0.5
129.06975	0.5
131.08539	0.9
133.06430	0.4
133.10115	0.7
135.08099	0.4
137.02292	1.1
143.08539	0.7
145.10153	0.8
147.04404	44.3
147.11633	0.5
148.04774	1.0
149.06026	0.6
151.03914	0.8
153.01822	100.0
154.02161	1.6
157.06502	0.4
157.10106	0.6
159.11667	0.7
161.05907	0.5
163.03830	0.6
165.06953	0.4
167.08501	0.5
171.02911	7.0
171.04318	0.4
179.03424	0.8
181.06537	0.6
187.11177	0.6
189.05484	1.0
195.08009	0.6
201.05472	1.1
213.05493	0.7
213.09074	0.7
223.07417	0.7
231.06586	0.5
241.08682	0.5
243.09975	0.4
253.42876	0.4
255.06310	0.8
273.07556	64.2
273.18259	1.8
274.07938	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.07848	0.3
53.51968	0.3
55.01871	0.6
55.05503	1.0
57.07073	0.4
60.70530	0.2
65.03917	0.5
67.01861	3.5
67.05504	2.2
68.99792	2.2
69.03429	2.1
69.07057	1.1
69.55335	1.3
69.55766	1.0
70.06618	0.3
71.04991	2.7
71.85981	0.3
79.01844	0.3
79.05491	1.2
81.03423	0.4
81.07055	3.3
83.01322	0.4
83.08607	0.5
85.02918	0.4
85.10023	0.3
91.05479	8.8
91.48879	0.3
93.07037	1.4
95.04960	2.4
95.08611	2.2
97.02915	1.7
98.20757	0.5
101.48554	0.3
105.07027	1.3
107.04957	2.2
107.08598	1.4
109.06534	0.3
109.10161	1.2
109.68702	0.3
111.00797	0.6
117.07001	0.6
119.04942	18.7
119.08582	1.3
120.05245	0.4
121.02820	0.6
121.06506	1.2
121.10144	1.0
123.04429	3.6
123.11712	0.6
125.02296	0.4
129.01950	0.3
129.06973	0.5
130.51825	0.3
131.08545	0.7
133.10164	0.5
135.08060	0.4
135.11696	0.7
137.13261	0.6
141.07036	0.4
142.93037	0.3
143.08565	0.6
145.10121	0.9
147.04405	44.0
148.04791	0.5
151.03894	0.4
153.01823	100.0
154.02145	1.3
157.10077	0.6
159.11684	0.8
163.07468	0.3
163.14845	0.4
171.02888	8.9
171.11719	0.5
173.09615	0.3
179.03369	0.7
181.06496	0.5
185.84908	0.3
189.05458	0.9
207.06496	0.3
213.09126	0.5
213.16394	0.3
215.14198	0.3
231.06566	0.6
237.16281	0.3
237.22153	0.7
241.08661	0.3
253.90530	0.3
255.06383	0.8
255.17418	0.4
273.07562	66.4
273.18491	1.9
273.25705	0.6
274.07867	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
55.01863	9.7
56.96564	6.3
57.03431	20.1
61.02925	19.4
69.03424	54.9
70.03774	3.3
70.06584	8.3
71.01367	2.8
71.04974	3.0
71.57123	2.6
71.57487	6.2
73.02918	44.6
78.44482	2.6
81.03401	14.6
82.48707	2.3
83.69511	2.9
84.04485	2.5
85.02903	100.0
87.04440	4.9
88.02692	2.7
91.03926	3.7
97.02876	37.4
98.03555	3.8
98.97567	6.9
99.04460	7.9
100.11199	3.6
101.00845	7.0
101.02392	3.1
102.02363	3.3
109.02874	9.3
111.02904	3.4
111.05551	3.7
113.00875	2.9
116.07080	3.9
116.98624	3.8
119.01922	36.1
120.01994	3.3
127.03915	32.7
128.02194	3.9
129.02969	3.4
131.01866	15.9
135.02913	3.7
137.02943	7.8
138.03470	6.9
143.01909	59.0
144.01976	5.3
144.03426	6.9
144.99852	3.2
145.01665	4.2
145.03384	6.2
145.04936	11.8
147.04002	4.0
149.02910	4.2
153.03952	11.0
155.01880	26.8
156.04375	3.1
158.05602	5.4
161.02953	99.6
162.03157	7.4
162.04482	6.6
163.02768	3.6
165.03986	3.4
167.01889	4.8
167.55515	3.0
170.05197	3.1
173.02962	64.9
174.03108	7.5
174.04512	12.7
175.04387	3.4
175.37714	3.1
183.05040	21.4
183.55130	6.2
184.04591	4.5
185.02924	26.3
187.04416	4.1
191.00539	3.3
191.04031	9.5
192.05627	9.4
203.04005	50.0
204.04250	6.4
205.02000	3.1
208.04613	2.8
215.03873	5.6
221.05051	7.3
233.05051	13.4
234.05226	2.8
245.05093	24.0
263.06140	23.1
264.06308	3.2
273.11136	3.0
275.06122	4.4
283.07217	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.113
Annotation	Deidaclin
Peak:m/z	Relative Intensity
51.05674	0.8
53.03939	1.4
55.01846	1.0
55.05496	2.4
56.96297	1.1
56.96564	15.8
57.03441	3.7
58.06602	1.0
60.05645	1.7
61.02924	4.9
65.03937	4.3
67.05495	1.0
69.03423	9.4
69.07086	0.6
69.50296	0.7
69.71239	5.2
70.04069	0.8
70.06593	9.5
71.04984	1.1
72.08144	4.0
73.02921	5.9
75.93954	0.9
77.62716	0.8
79.05482	1.0
80.05023	0.9
81.03422	3.8
81.07047	1.4
82.06577	1.1
83.06116	1.5
84.04498	1.5
84.08139	2.2
84.96027	1.9
85.02901	18.1
85.05157	1.2
85.08516	0.7
86.09689	2.6
87.04478	1.6
90.94812	1.8
91.03936	1.0
91.05477	0.9
92.05002	35.6
93.04556	0.8
93.05797	3.6
94.06570	6.3
95.06102	1.9
97.02888	9.9
98.06073	0.8
98.97578	8.8
99.04428	1.6
107.04966	2.6
109.02879	2.7
110.01292	1.2
110.06039	100.0
110.07123	8.6
110.97604	1.4
111.04411	1.5
111.06338	1.3
112.08694	1.3
113.04597	2.3
113.96404	0.7
116.07102	1.8
116.98612	7.4
119.01849	4.6
119.03667	1.0
124.03942	1.8
124.99139	0.8
127.03918	3.0
128.02332	1.3
128.98598	1.9
130.93300	1.0
131.00191	0.8
131.01845	1.2
133.01680	0.8
134.99663	7.7
138.05495	1.3
140.05667	2.6
141.04044	1.8
143.00168	4.1
143.01895	0.8
145.01721	1.6
145.03400	1.1
145.04976	0.9
146.99658	3.8
147.03227	1.0
149.01254	2.3
149.02901	0.8
149.06003	1.8
152.02328	1.0
152.07057	2.9
153.00731	1.1
155.04674	4.8
156.03619	1.3
156.07672	1.8
158.99625	4.0
161.01219	10.0
161.02945	1.1
161.04723	0.9
161.06599	1.0
163.02742	1.1
163.04276	1.8
164.05177	3.3
165.00774	1.0
165.04417	1.3
166.09785	1.8
169.04321	1.0
170.05257	1.9
170.99666	1.3
173.02911	1.3
175.02789	1.0
177.00685	5.4
177.04341	2.0
177.05907	1.1
177.56230	1.1
178.04918	2.4
179.02287	1.7
182.03389	2.0
184.02637	0.7
185.01268	0.9
187.02878	0.8
189.00667	3.4
190.95433	1.8
191.02371	1.0
191.03909	3.3
191.05539	0.9
195.01578	0.9
200.04338	1.0
201.00682	1.5
202.04869	0.8
203.02328	1.8
203.04028	1.2
208.14481	1.7
208.96487	0.7
212.10318	1.6
219.01768	3.2
226.15561	1.1
231.01740	0.9
232.96432	1.5
237.02806	4.2
244.21127	0.8
248.99063	1.4
249.02907	3.9
250.97469	1.3
254.10257	2.3
254.15038	1.1
261.02829	0.9
267.00177	1.6
267.03925	4.8
272.11353	10.4
272.16364	4.0
272.19626	1.1
273.09512	3.0
285.04956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1692
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
51.67943	0.6
53.03941	0.9
54.22160	0.6
55.01866	1.8
55.05506	3.8
57.03210	0.7
57.03437	5.9
57.07076	0.8
67.05501	6.4
69.07053	1.5
69.83103	1.2
69.83515	2.8
71.04997	1.3
79.05493	6.9
81.03402	1.2
81.07064	4.6
81.97919	0.7
83.08617	2.7
86.06055	1.1
91.05471	9.8
93.07037	3.9
95.04959	2.1
95.08601	2.6
97.06508	1.2
97.10149	1.9
98.21497	0.9
100.07569	1.0
105.07020	4.4
107.04958	0.8
107.08578	2.4
109.10162	1.9
110.62626	0.6
111.08095	1.3
115.05440	3.1
116.06240	1.7
117.06230	0.9
117.07014	12.4
119.04947	0.7
119.08579	6.8
121.06477	0.8
121.10136	2.0
123.08101	0.8
128.06206	3.6
129.06992	8.0
131.04907	1.5
131.08574	5.5
133.06491	2.2
133.10120	1.5
135.04477	1.0
135.08023	6.2
141.06989	4.1
142.07764	2.3
143.08551	3.6
144.05704	10.0
145.06473	4.1
145.10141	4.6
147.08034	3.7
147.11644	0.7
149.05963	1.1
152.06201	0.9
153.06970	1.8
155.08517	3.2
157.06485	4.0
157.10100	3.3
158.07225	1.1
159.08041	100.0
160.08430	1.3
161.09581	1.3
165.06943	0.9
167.08513	0.8
169.06462	1.4
169.10156	2.4
171.08075	2.5
171.11771	0.9
173.05887	0.7
173.09610	6.1
173.13481	1.0
175.07535	2.1
175.11276	0.8
183.08095	1.5
183.11688	1.7
185.09595	9.8
187.07611	1.4
187.11136	1.3
189.09096	0.7
197.05870	1.2
197.09564	3.9
197.13268	1.2
199.11200	2.0
211.11131	4.0
215.06999	0.8
215.14265	3.3
225.05295	0.9
225.12752	1.9
225.16315	1.6
237.02713	0.8
243.06476	1.7
243.17532	1.9
253.15868	8.5
253.23529	1.2
254.24796	4.2
267.52917	0.7
271.06042	4.2
271.16904	65.5
272.17218	2.4
272.25815	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1691
Annotation	Trenbolone
Peak:m/z	Relative Intensity
55.01865	2.2
55.05507	6.9
56.96567	1.3
57.03423	3.7
59.04991	1.4
62.09727	0.8
65.03952	1.1
67.05495	7.4
68.11850	0.9
68.99780	1.1
69.07054	3.9
69.25547	0.8
71.04967	1.3
71.58691	1.1
79.05489	8.4
81.03388	0.9
81.07058	9.6
83.04970	1.8
83.08621	2.5
91.05480	12.2
93.07039	5.2
95.04959	2.3
95.08604	5.3
97.06541	1.7
97.10140	1.4
99.04464	1.0
103.05453	1.3
105.07036	6.4
107.04974	1.7
107.08607	5.7
109.06525	1.7
109.10155	4.0
111.08059	1.4
115.05432	4.6
115.22715	0.8
116.06269	1.5
117.07010	14.7
119.04922	1.5
119.08591	8.8
121.06469	1.0
121.10159	3.0
123.08037	1.5
125.09658	1.3
128.06216	2.4
129.06998	7.3
130.07787	0.9
131.04947	2.0
131.08554	6.3
133.06499	2.1
133.10126	3.3
135.04427	2.6
135.08061	9.7
135.11742	1.1
141.07005	3.9
142.07806	1.6
143.08556	4.6
144.05690	11.7
145.06509	7.1
145.10147	6.8
147.08035	2.9
149.02272	0.9
151.03915	1.2
153.07021	1.3
155.08559	4.6
157.06470	3.5
157.10127	5.0
158.07227	0.9
159.08052	100.0
159.11652	2.3
160.08409	1.6
161.09633	4.1
165.06998	2.8
167.03418	2.7
168.05685	1.2
169.06490	1.7
169.10112	4.0
171.08066	1.9
171.11688	2.6
173.09613	9.2
173.13306	1.3
175.07562	3.1
181.06529	1.4
183.08041	1.9
183.11681	2.7
185.09610	5.7
187.07542	1.9
187.11203	2.1
197.06020	1.2
197.09669	1.9
197.13272	0.9
199.11150	1.6
201.05476	1.3
201.12604	0.9
204.95848	0.8
209.13300	1.1
211.07613	1.4
211.11221	2.1
211.14941	1.1
213.12782	1.5
215.14363	1.7
218.91782	0.8
224.11826	1.3
225.12727	1.4
225.16422	1.8
227.07062	1.5
227.14264	1.0
229.15848	1.0
243.06491	1.9
243.17398	3.1
253.15929	7.5
271.06015	9.3
271.09454	1.9
271.13611	2.3
271.16925	26.0
271.20334	1.6
271.24078	2.2
272.17395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.54124	0.3
55.01860	0.6
55.05510	3.8
56.96561	0.4
57.03422	1.6
57.07042	0.5
65.03928	0.6
67.01856	2.1
67.05504	3.5
68.99787	1.8
69.03430	0.4
69.07077	2.3
71.04989	0.8
71.57701	0.4
78.90232	0.3
79.05484	3.5
81.03403	0.5
81.07051	3.8
83.04956	0.5
83.08604	1.9
85.02882	0.4
85.06544	0.3
88.57217	0.3
91.05476	11.4
93.07032	1.8
95.04948	1.4
95.08609	2.8
97.06539	0.5
97.08607	0.3
97.10154	0.6
98.97591	0.4
99.08075	0.5
103.05451	0.3
105.07041	2.7
107.04955	1.0
107.08603	1.9
109.02856	0.3
109.06509	0.8
109.10139	1.0
110.25207	0.4
111.04462	0.4
111.08112	0.4
115.05447	1.9
115.56210	0.3
116.06264	2.0
117.07024	3.0
119.04938	6.9
119.08579	2.0
120.05280	0.4
120.38120	0.3
121.02888	1.7
121.03638	0.3
121.06527	0.5
121.10125	1.0
121.45088	0.3
123.04417	0.6
123.11697	0.5
125.09603	0.4
128.06210	2.1
129.01782	0.5
129.06996	12.2
131.04926	0.6
131.08562	6.1
133.06490	0.5
133.10121	1.0
135.04408	3.9
135.08043	0.7
135.11700	0.8
137.05954	1.2
141.06976	6.4
142.07817	1.6
143.08563	2.8
144.05693	8.4
145.02802	1.6
145.06479	1.1
145.10159	1.6
147.08054	1.0
147.11723	0.4
149.05939	0.6
149.13272	0.5
153.01819	11.4
153.06985	0.7
154.02161	0.4
154.07762	0.4
155.08539	4.0
157.06479	2.3
157.10114	4.5
158.07216	0.8
159.08044	85.3
159.11671	1.3
160.08383	1.6
161.01198	0.4
161.09573	0.8
161.13284	0.6
163.03928	1.2
165.06905	1.7
167.08522	0.9
168.05711	0.3
168.09366	0.6
169.06465	1.1
169.10118	2.9
169.14439	0.4
171.02895	2.1
171.07986	0.6
171.11722	1.8
173.09615	3.1
173.13284	0.8
175.07483	0.9
178.07768	0.5
179.08546	0.5
181.06522	1.0
182.07281	0.8
183.08055	1.6
183.10304	0.3
183.11746	2.4
184.08850	0.4
185.09605	15.9
187.03967	0.5
187.11188	0.6
193.10054	0.8
195.08112	0.4
196.08902	0.4
197.05959	0.5
197.09616	6.3
197.13289	1.4
198.10269	0.6
199.11163	4.1
200.11531	0.4
207.11656	0.4
209.09560	0.5
211.07692	0.6
211.11147	6.7
212.11897	0.4
215.10619	0.4
215.14346	0.3
224.11995	0.4
225.05507	0.8
225.12828	1.9
225.16377	1.3
226.12213	0.5
227.11681	0.5
229.04984	0.9
243.06441	1.2
243.10173	0.3
243.14964	0.6
243.17299	0.6
253.15854	11.1
254.16058	0.5
255.11339	0.8
271.05997	100.0
271.16882	12.6
271.24185	0.7
272.06342	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.8
55.05516	10.7
56.91269	2.2
65.03939	2.0
67.01849	2.0
67.05484	8.7
68.36233	2.0
69.03416	2.7
69.07053	9.9
69.48891	4.3
69.49303	12.2
70.42230	2.0
71.04971	6.3
79.05486	15.6
81.06657	2.3
81.07056	29.1
83.04971	7.6
83.08593	9.5
85.06532	4.4
87.04440	2.3
91.05464	17.0
93.03381	2.3
93.07039	27.9
95.04958	12.8
95.08586	15.8
97.06519	15.8
99.04457	6.6
105.07027	14.0
107.04971	4.8
107.08601	14.7
109.06518	13.1
109.10171	4.9
111.08077	12.2
119.04935	7.3
119.08565	11.5
121.02859	2.7
121.06506	38.4
121.10154	3.9
123.04424	2.6
123.08033	3.6
123.11671	3.5
125.05994	5.8
127.07513	6.1
129.06961	4.5
131.08571	2.9
133.10115	11.9
135.08049	6.8
135.11685	2.0
137.05942	4.6
139.07524	14.1
141.07083	2.8
142.07744	3.8
143.06955	3.9
143.08516	4.5
145.10106	5.7
147.07971	2.5
147.11673	22.7
149.02330	3.2
149.13251	2.4
153.01802	9.3
153.06984	4.5
155.08504	5.8
157.08647	9.9
157.10124	8.6
159.08023	3.3
161.13295	4.9
165.06982	10.1
165.12735	8.2
167.03424	12.6
171.02834	2.6
171.11717	9.2
173.09616	2.8
175.11163	12.5
181.06490	3.2
183.08076	5.0
189.12718	13.4
191.63600	2.0
193.12212	14.1
197.05974	3.7
199.11182	13.2
207.13776	6.0
211.07582	6.5
211.13330	9.7
217.12244	33.2
235.13242	19.9
237.32231	2.1
253.14336	13.2
271.06009	100.0
271.09509	10.8
271.13361	6.2
271.17215	3.9
272.06390	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01849	14.6
55.05508	31.7
56.96535	12.3
57.07075	6.9
58.95539	4.7
64.42562	4.5
64.93554	4.4
65.03938	6.2
67.05503	33.0
69.03423	7.5
69.07071	26.8
71.04725	4.0
71.04994	43.8
71.47575	5.2
71.57499	8.7
79.05483	41.6
81.03421	10.0
81.07047	76.0
83.04982	24.1
83.08622	28.0
84.51186	5.0
85.06535	12.1
87.04433	4.8
91.05484	39.5
93.06470	7.7
93.07032	87.2
95.04975	32.3
95.08601	46.1
97.02914	5.1
97.06523	35.0
98.97531	5.9
99.04461	15.2
105.07021	59.5
107.04928	18.8
107.08559	41.8
109.02847	7.6
109.06518	37.0
109.10146	12.4
111.08052	19.5
116.98664	5.0
117.07001	7.9
119.04950	9.7
119.08564	28.6
121.05662	7.9
121.06505	100.0
121.10122	16.8
123.04446	6.0
123.08054	6.9
123.11668	7.8
125.05965	22.2
127.07574	14.1
127.11174	5.2
128.06230	7.2
129.06975	15.9
131.08527	12.1
133.06476	6.5
133.09155	7.1
133.10075	26.9
135.04361	10.9
135.08026	18.0
137.02315	29.3
137.05971	9.8
139.07590	35.0
141.06927	7.1
142.07758	9.1
143.06999	13.7
143.08563	17.2
144.05685	5.6
145.10112	17.8
147.07999	7.8
147.11684	50.8
149.09677	7.8
149.13298	8.5
151.11165	5.8
153.07002	17.9
154.07750	6.8
155.08542	21.9
156.09286	5.0
157.06381	5.5
157.08589	20.9
157.10069	25.6
159.11639	5.9
161.09631	5.7
161.13260	16.0
165.06969	39.9
165.12737	14.9
166.07597	5.7
167.03387	10.5
168.05661	10.5
168.09409	5.7
169.10101	13.2
171.11635	20.4
173.09505	8.7
175.11214	33.9
181.06459	7.9
181.10121	12.1
183.08051	27.7
183.11690	7.0
189.12750	31.8
193.06505	6.8
193.10530	5.3
193.12192	27.6
197.05910	7.1
197.09537	6.3
197.13306	6.1
199.11180	24.8
207.13786	16.0
211.07578	19.6
211.13281	13.7
217.12234	83.9
221.05977	8.0
225.16304	5.8
235.13219	54.2
238.47099	5.0
239.07001	8.2
240.74953	5.4
243.10223	6.4
253.14232	26.9
271.05966	53.2
271.09677	45.8
271.16840	25.5
271.20422	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1434
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05497	2.7
57.07068	1.4
58.37624	1.5
59.15496	1.5
67.05499	3.9
67.11571	1.3
68.99759	1.9
69.07061	2.3
71.05009	1.7
71.57961	2.0
79.05477	4.8
81.07047	4.7
83.08638	1.9
91.05466	5.4
93.07027	3.9
95.05005	1.8
95.08600	2.3
96.08121	4.1
105.07014	3.9
106.06558	3.7
107.05025	1.5
107.08560	1.7
108.08104	13.1
117.07014	4.2
119.08548	3.4
121.10194	1.3
122.09652	1.7
129.06982	3.3
131.08629	2.0
133.06453	1.6
133.10092	1.5
135.08066	2.3
141.07004	3.2
143.08571	3.0
144.05739	1.6
145.06494	3.0
145.10138	3.3
148.07594	1.8
152.38268	1.4
153.06956	1.6
155.08574	2.8
156.08083	2.4
157.10129	4.8
158.09550	1.9
159.08041	20.9
168.08089	7.9
169.08856	6.0
171.09227	1.7
171.11690	2.3
172.07597	1.6
173.05968	2.5
173.09560	2.0
174.09125	2.3
175.07495	2.0
181.10153	2.6
182.09676	3.1
183.10373	9.9
183.11572	1.4
185.10843	2.8
186.11549	1.6
196.07574	6.8
197.08322	11.8
198.12772	10.8
198.44049	1.3
199.08640	11.2
199.12300	2.4
210.09177	3.6
211.09888	20.4
212.09435	2.8
213.10185	21.3
214.10995	6.1
215.07088	2.0
215.15428	6.1
226.12254	46.6
227.11763	28.9
228.12544	41.3
239.11768	2.2
241.09715	1.6
242.10416	2.6
243.06514	5.1
243.14949	29.3
243.17293	1.8
253.13313	6.6
253.15768	2.0
254.11752	2.5
255.11240	28.2
256.12024	38.4
256.14685	2.0
269.12784	1.6
271.06088	3.8
271.09717	3.0
271.14410	100.0
271.16913	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01863	2.9
55.05500	1.8
56.96568	1.6
57.03429	3.4
57.07054	1.1
65.03931	3.1
67.05488	3.1
69.07051	0.8
69.53040	1.1
69.53441	6.0
70.06585	5.5
72.08152	7.6
73.02916	35.4
73.56593	0.8
75.04468	2.9
81.03414	1.4
81.07050	1.3
83.05003	0.9
84.08148	1.8
85.02883	1.5
91.03946	2.2
91.05486	4.2
93.07054	1.2
95.04981	4.2
99.04404	0.9
100.07622	0.7
103.05475	0.9
105.06994	1.3
107.04958	2.2
108.02094	1.7
109.02843	1.4
110.03660	6.4
111.04433	6.6
116.07095	1.9
119.04964	2.6
119.08549	0.9
121.06504	1.6
123.04380	1.3
125.05991	39.9
135.04471	1.2
135.08095	1.4
137.02365	0.9
137.05986	1.9
139.03891	1.5
141.05431	5.2
143.61139	0.8
147.04387	2.4
147.06502	4.1
149.05989	3.0
151.03906	100.0
151.05005	7.2
151.07462	5.1
152.04259	1.8
155.08633	0.8
161.01268	1.2
163.03923	1.4
163.07526	2.6
165.06984	2.7
165.22594	0.9
171.11548	0.9
179.07025	20.8
197.06277	1.0
197.08102	19.2
197.09807	1.7
201.10243	0.9
211.07465	0.9
215.07133	0.9
215.11909	1.1
225.07574	3.1
243.11320	1.1
253.10728	3.2
253.13168	1.0
267.03925	1.3
268.36856	1.0
271.05969	1.8
271.11914	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Galangin
Peak:m/z	Relative Intensity
53.03925	0.3
55.01856	0.4
55.05293	0.2
55.05506	1.8
56.96537	0.2
57.03426	1.0
57.07072	0.2
65.03922	0.3
67.01524	0.2
67.01859	1.7
67.05503	1.8
68.99783	1.4
69.03423	0.3
69.07059	1.4
69.43095	0.3
69.43501	1.4
69.68751	0.2
69.96249	0.2
71.05013	0.3
79.05492	1.6
81.03404	0.3
81.07049	2.6
82.84047	0.2
83.04961	0.2
83.08614	0.9
85.06521	0.2
91.05474	5.7
93.07030	0.9
93.36248	0.2
95.04951	0.5
95.08598	1.6
97.02840	0.2
97.06500	0.2
97.10157	0.5
99.08084	0.2
103.05462	0.2
105.07020	1.7
107.04945	0.5
107.08567	1.2
109.06451	0.3
109.10135	0.7
111.00755	0.2
111.04455	0.2
115.05457	0.8
116.06206	0.7
117.06997	1.0
119.04933	6.0
119.08585	1.2
121.02845	1.8
121.10116	0.5
123.04440	0.3
123.11671	0.3
125.02335	0.3
125.09611	0.2
127.03873	0.3
128.06223	0.8
129.01857	0.4
129.06995	4.8
131.08551	2.6
133.06462	0.4
133.10135	0.7
135.04391	1.2
135.08015	0.3
135.11684	0.4
137.05989	0.4
137.09590	0.2
141.06969	2.6
142.07759	0.7
143.08517	1.1
144.05699	3.2
145.02821	1.6
145.06462	0.6
145.10101	1.1
147.04352	0.2
147.07996	0.4
147.11668	0.6
153.01816	10.7
153.07011	0.5
154.07811	0.4
155.08549	1.9
156.09219	0.3
157.06485	1.0
157.10121	2.2
158.07254	0.3
159.08040	33.9
159.11554	0.9
161.09621	0.4
161.13223	0.5
163.03885	1.0
165.06995	0.9
167.08488	0.4
168.05740	0.3
168.09361	0.2
169.06479	0.6
169.10144	1.1
171.02835	2.3
171.07939	0.4
171.11703	0.6
173.09610	1.3
173.13205	0.4
175.07556	0.5
175.14900	0.3
181.06419	0.4
181.10120	0.4
182.07187	0.3
183.08022	1.3
183.11716	0.9
185.09595	6.4
187.03908	0.4
187.07613	0.3
187.11224	0.4
187.14861	0.3
189.08998	0.3
193.10048	0.3
195.08006	0.2
195.11757	0.3
197.09576	2.3
197.13245	0.6
199.11131	1.2
201.16443	0.3
203.07040	0.5
211.07672	0.4
211.11188	3.0
215.14224	0.4
215.17929	0.2
225.05446	0.8
225.12772	0.6
225.16388	0.8
226.12270	0.4
227.11775	0.3
229.04869	0.5
235.14818	0.3
243.06461	0.9
243.10284	0.2
243.14844	0.3
243.17473	0.4
247.06015	0.4
253.04974	0.4
253.15857	4.1
253.18333	0.3
256.11969	0.3
271.05988	100.0
271.16840	5.5
271.23862	1.0
272.06314	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.5
56.96559	27.8
59.04990	13.1
60.04519	8.9
67.05496	12.8
68.05000	10.1
69.03423	26.1
69.07059	28.8
70.06587	22.3
71.01363	12.3
71.57423	15.4
75.04478	16.5
79.05499	14.9
84.08131	12.2
85.02861	10.0
86.06065	13.1
87.04466	29.2
91.05482	13.1
97.02864	10.0
98.09734	8.1
98.97570	16.1
103.03938	20.0
104.07148	13.3
105.07027	35.2
107.04945	40.7
109.02889	12.9
110.07164	16.8
116.98610	23.5
120.08092	33.4
122.08146	10.0
130.06560	11.3
132.08052	44.6
134.09650	28.8
134.99672	27.2
146.09673	10.6
154.04961	11.7
158.99652	13.8
161.01315	8.9
161.04465	21.4
162.05431	32.4
165.63821	8.2
171.06001	15.4
177.00700	29.4
206.11824	23.4
217.03427	57.6
224.12804	84.9
235.04395	17.9
270.13382	100.0
270.16992	51.9
270.27856	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
54.49557	1.0
55.01857	3.7
55.05507	16.9
57.03438	12.9
57.07058	5.2
57.72365	1.2
65.03935	12.1
67.05502	71.3
68.76003	1.3
68.99776	1.7
69.03438	2.5
69.07068	21.2
69.46178	2.5
69.46575	10.4
70.62793	1.1
71.04976	4.5
71.08574	1.6
77.03922	1.3
79.05487	32.3
81.07050	69.5
82.07375	2.4
83.04983	6.4
83.08623	13.5
85.06528	5.5
91.05478	100.0
92.05803	2.0
93.03393	2.7
93.07040	44.3
95.04969	13.5
95.08603	40.8
97.06532	8.5
97.10172	3.0
99.08059	1.7
103.05398	1.4
105.07031	15.4
107.04974	2.6
107.08598	27.0
109.02865	2.5
109.06511	2.4
109.10150	13.8
111.04443	2.2
111.08057	3.9
111.11792	2.0
111.26479	1.1
115.05449	2.4
117.06995	6.0
119.08569	7.2
121.02837	6.8
121.06487	3.2
121.10143	19.0
123.04419	5.3
123.08025	1.7
123.11722	6.0
129.06996	1.9
130.07782	1.2
131.08559	9.5
133.06461	3.8
133.10112	8.9
135.04367	2.6
135.08028	4.1
135.11728	10.3
137.02309	3.2
137.09612	2.4
137.13258	2.8
139.07515	1.5
141.05452	2.9
141.06891	1.3
142.74535	1.1
143.08484	2.0
145.10072	6.9
147.11694	4.1
149.02338	19.6
149.05951	1.2
149.09647	2.1
149.12221	1.7
149.13272	18.3
151.11140	1.3
152.06207	3.3
153.06995	1.8
153.09158	1.6
155.08556	2.5
155.14232	1.7
157.10141	2.4
159.11685	12.6
161.13240	1.9
163.03880	5.2
163.11052	1.4
165.06985	3.4
167.03395	98.6
167.08572	4.3
168.03755	2.6
170.88370	1.3
171.11656	2.5
173.13190	1.8
176.06264	1.9
177.01920	1.3
177.06985	5.0
177.12740	5.4
181.05045	1.7
181.06529	2.5
183.08057	1.6
185.13222	1.3
187.14809	1.2
191.03365	12.1
191.17940	4.2
195.08084	2.6
195.13766	5.0
205.19456	1.6
209.04430	19.3
209.06256	2.2
209.13295	1.8
213.16434	1.7
215.17912	6.1
223.07565	5.1
233.19002	2.9
241.08488	1.4
251.07054	14.2
251.20064	3.7
269.08072	98.4
269.17407	10.2
269.22458	7.3
270.08405	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25735	0.5
53.00331	0.6
53.03940	1.7
54.87746	0.6
55.01860	1.9
55.05309	0.6
55.05514	7.3
55.73161	0.6
56.96559	1.5
57.03435	1.9
57.07065	2.7
57.51802	0.6
65.03938	11.7
67.05505	30.9
68.69144	0.6
68.99773	1.0
69.03418	1.0
69.07067	9.0
70.48472	0.7
71.04990	2.4
71.08604	1.6
71.58083	1.3
79.05070	1.1
79.05495	12.8
80.05824	0.7
81.03407	2.5
81.06582	1.6
81.07055	26.1
82.07360	0.9
83.04969	2.7
83.08614	4.1
85.02908	1.2
85.06529	2.5
89.03903	1.1
91.05479	83.5
92.05815	1.7
93.03390	3.5
93.07043	15.2
93.16320	0.8
95.01366	0.7
95.04969	7.6
95.08604	22.7
96.08929	1.0
97.02841	0.8
97.06535	3.3
97.10164	2.6
98.97558	1.3
99.08067	1.0
103.05440	1.1
105.03377	0.9
105.07037	6.5
105.32066	0.7
107.04962	2.7
107.08595	9.7
109.02860	3.3
109.06498	2.4
109.10163	10.3
111.04449	1.3
111.08075	2.0
111.11745	0.9
115.05453	1.7
117.07019	2.7
119.08602	4.9
121.02099	0.8
121.02879	7.0
121.06511	2.1
121.10152	7.0
123.04435	2.4
123.08096	1.4
123.11691	4.7
125.09618	0.9
127.03913	2.9
129.07004	1.2
131.01305	1.6
131.04901	1.9
131.08563	4.6
133.06490	2.2
133.10133	4.7
135.04437	2.2
135.08093	3.6
135.11647	4.6
137.02330	9.3
137.05963	0.9
137.09595	2.8
137.13210	1.5
139.07547	0.7
141.05432	1.7
141.06989	1.8
143.08574	1.6
144.33760	0.7
145.10117	3.6
147.04362	0.7
147.08049	0.9
147.11667	1.9
149.01166	1.0
149.02333	17.3
149.06026	1.0
149.09642	2.4
149.13240	4.9
151.11200	1.6
152.06226	3.5
153.07016	0.9
153.09113	1.6
155.08522	2.0
157.06416	0.9
157.10129	2.0
159.11777	3.6
161.13254	1.0
163.03952	3.4
163.11169	1.0
163.77054	0.7
165.06989	3.3
166.07805	1.3
167.03401	100.0
167.08530	4.5
168.03754	2.7
168.05673	0.8
169.10172	0.9
171.11662	1.4
173.02367	1.0
173.13301	4.0
175.11269	0.6
175.14894	1.0
176.06223	2.0
177.05638	0.8
177.06990	3.8
177.12752	1.5
178.02615	1.4
179.03375	1.9
181.04947	1.2
181.06488	2.0
181.10133	1.1
181.12239	1.1
183.08037	1.3
183.11719	1.0
185.13220	0.9
187.14775	1.0
189.16360	1.5
191.03394	21.1
191.10742	0.9
191.14297	0.8
191.17975	2.5
195.08086	2.8
195.11661	0.8
195.13681	1.3
198.06677	1.4
199.07547	1.1
205.06476	1.4
209.04420	9.4
213.16328	1.0
215.17946	4.0
223.07632	5.5
226.06238	1.1
233.04346	1.3
233.18983	1.5
237.02965	0.8
239.06923	0.9
241.08241	1.7
251.07059	14.9
251.20023	1.8
252.07448	1.0
269.08081	74.6
269.22717	2.7
270.08405	4.8
287.09180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03936	4.5
55.01862	2.2
55.05517	21.9
57.03437	30.5
57.07068	2.9
58.89967	1.5
63.79808	1.5
65.03938	2.8
67.05505	81.7
67.98323	1.5
69.07071	28.5
70.83848	4.7
71.04993	8.9
79.05495	45.9
81.03406	3.5
81.07058	100.0
83.04990	8.6
83.08617	20.2
85.06548	5.0
91.05473	31.8
91.96043	1.6
93.07045	65.5
95.04974	8.1
95.08606	24.3
97.06546	15.4
97.10184	3.0
99.08082	2.7
105.02814	1.4
105.06990	9.0
107.08592	28.9
109.06481	2.3
109.10123	4.6
111.08080	7.0
113.09611	2.6
117.07014	12.8
119.08548	3.9
119.86423	1.4
121.10143	20.5
123.11703	3.2
131.08583	12.8
133.10110	12.0
135.08017	2.1
135.11703	10.4
147.11798	2.0
149.06000	4.7
149.13258	37.3
151.11156	2.0
159.11699	23.6
161.13219	2.2
177.12791	9.7
186.25726	1.9
195.13786	12.1
241.08513	2.5
269.08081	7.3
269.14917	2.5
269.17468	34.1
269.22150	2.5
281.66949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03930	3.0
54.40943	0.9
55.01852	3.8
55.05265	1.6
55.05510	22.8
56.96553	1.3
57.03150	1.5
57.03431	28.0
57.07050	5.1
59.26561	1.1
62.81502	1.0
62.86865	1.1
65.03943	11.3
67.05501	90.2
68.30112	1.0
69.03410	3.4
69.07066	31.1
69.75555	1.0
69.75879	7.5
71.04994	7.6
71.08605	1.9
73.02882	1.6
79.05489	46.3
81.03397	2.9
81.07050	86.9
82.07375	1.6
83.04980	7.6
83.08610	19.2
85.02876	1.2
85.06543	5.6
89.03850	1.2
91.05475	100.0
92.05808	3.3
93.03381	2.1
93.07038	63.0
95.04969	14.0
95.08604	32.1
97.06527	15.5
97.10158	3.3
99.08073	4.6
101.11717	1.0
103.05441	1.2
105.03301	1.1
105.07027	13.0
107.04942	3.8
107.08583	35.5
109.02864	2.8
109.06509	4.3
109.10146	9.9
111.08083	7.4
113.09615	1.2
115.05470	2.0
117.07012	8.4
119.08572	7.9
121.02862	8.4
121.06486	3.0
121.10138	18.3
123.04403	3.9
123.08046	1.7
123.11689	4.7
125.09597	1.7
129.06937	2.2
131.08542	13.3
133.06509	3.2
133.10132	9.9
135.04414	1.8
135.08037	3.8
135.11684	11.3
137.02327	2.9
137.09584	1.5
137.13228	2.2
139.07506	1.4
139.11209	1.6
141.05424	1.7
143.08557	3.0
145.10133	6.2
147.11682	3.0
149.02339	14.8
149.09616	1.7
149.13252	33.7
151.11194	2.9
151.96794	1.2
152.06244	1.5
155.08502	1.9
157.10106	3.5
159.11662	16.6
161.13217	1.9
163.03862	3.8
165.07022	2.8
167.03394	91.8
167.08533	4.1
168.03638	2.1
171.11661	3.0
173.13246	2.4
177.06979	3.1
177.12721	5.9
179.08414	1.4
181.05005	1.7
181.06477	2.6
183.11617	1.5
183.89392	1.0
185.13266	1.9
187.14767	1.0
189.03951	1.1
191.03358	12.5
191.17996	2.0
195.08078	2.7
195.12013	1.1
195.13814	6.6
199.14830	1.7
209.04422	16.8
209.06189	1.6
213.16479	1.7
215.18011	2.2
223.07521	4.4
227.17813	1.3
233.18896	1.4
239.07018	1.3
241.08566	3.0
251.07089	11.2
251.17809	1.5
251.20111	2.6
269.08078	75.9
269.17441	19.8
269.22559	8.3
270.08365	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	5.2
55.01855	4.6
55.05508	21.3
57.03431	31.3
57.07055	5.6
58.86803	2.1
65.03932	6.0
67.05500	84.0
69.07059	34.0
69.87211	14.9
71.04976	5.3
79.05487	53.9
81.03397	4.1
81.06589	5.1
81.07050	100.0
83.04958	11.2
83.08604	17.1
85.06522	6.4
91.05472	30.2
93.07034	78.1
95.04948	9.1
95.08591	29.6
97.02824	2.3
97.06512	19.6
99.08054	4.9
105.07022	18.1
107.08584	39.1
109.06496	4.0
109.10130	6.5
111.08057	9.5
115.05470	3.6
117.07040	12.5
119.08569	6.3
121.10118	17.3
123.11707	5.0
131.08565	12.4
133.10117	18.1
135.08061	2.9
135.11673	11.9
149.02341	4.4
149.05933	3.0
149.13248	41.2
157.10085	3.4
159.11658	18.0
166.45605	2.5
167.03392	35.7
169.10040	3.1
177.12755	7.1
181.10046	2.9
195.11833	2.8
195.13763	16.0
237.82510	2.5
269.07999	8.5
269.11530	4.1
269.17316	28.7
269.22510	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	4.4
53.72784	2.1
55.01867	3.3
55.05515	22.3
55.25135	2.1
57.03437	26.3
57.07071	7.7
58.13477	2.1
62.16167	2.2
62.45370	2.1
63.32253	2.1
65.03918	3.2
67.05509	71.1
69.07066	25.2
71.04986	6.8
71.58071	3.2
79.05494	43.6
81.03399	2.5
81.07059	100.0
83.04980	6.5
83.08620	17.5
85.06541	6.3
91.05486	31.5
93.07046	66.2
95.04971	8.0
95.08597	24.5
97.06535	15.3
97.10185	3.7
99.08098	5.6
105.07038	9.9
107.08598	32.6
109.06540	5.5
109.10169	4.6
111.08106	7.3
115.05467	2.7
117.07006	13.8
119.08560	2.5
121.10130	16.5
123.11682	4.2
129.07065	2.7
131.08585	12.0
133.10135	18.4
135.08089	3.7
135.11700	10.0
147.11742	3.2
149.13264	32.1
157.10178	2.9
159.11687	23.2
177.12735	9.1
195.13824	9.5
251.20250	2.8
269.08157	5.7
269.11450	3.4
269.17386	28.6
273.89478	2.6
280.12579	2.3
285.05222	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03929	5.5
55.01857	3.2
55.05506	23.0
57.03435	28.4
57.07061	6.1
65.03924	3.1
67.05501	80.6
69.07066	27.4
71.04969	7.5
71.58422	2.6
79.05486	42.1
81.03406	2.4
81.07051	100.0
83.04515	2.1
83.04977	8.2
83.08610	18.6
85.06541	5.1
91.05477	33.4
93.07037	70.5
94.07325	2.1
95.04952	10.2
95.08608	26.6
97.06544	16.1
97.10143	3.3
105.07042	12.1
105.32951	1.9
107.08588	35.9
109.06521	5.0
109.10149	8.2
111.08062	8.0
117.07013	10.7
119.08574	3.7
121.10134	17.7
123.11675	4.5
125.09620	2.4
127.56311	1.9
129.07050	2.6
131.08560	15.0
133.10138	11.8
135.08069	3.0
135.11678	10.7
145.10034	2.4
149.13252	30.7
157.10120	4.6
159.11678	18.5
171.11797	2.6
177.12750	7.7
182.69350	2.4
195.12004	2.1
195.13777	8.4
219.94014	2.2
269.04733	1.9
269.08014	8.3
269.14920	3.1
269.17331	24.5
269.22488	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91913	1.6
53.03928	3.9
55.01866	3.7
55.05510	22.7
57.03435	36.5
57.07073	4.2
63.17919	1.5
65.03939	2.1
65.52939	1.7
67.05502	72.4
68.19099	1.6
69.03408	1.8
69.06720	2.6
69.07066	34.3
71.04982	6.6
79.05492	47.3
81.07053	100.0
83.04987	8.4
83.08611	18.3
85.06519	5.6
88.47070	1.8
91.05484	21.9
93.07040	70.8
95.04959	5.5
95.08604	30.6
96.81536	1.5
97.06518	16.1
97.10155	4.1
98.21587	4.6
99.08064	5.5
105.07027	11.4
107.08593	37.5
109.06528	3.8
109.10160	6.8
111.08115	8.6
117.07027	8.5
117.76756	1.9
119.08598	7.3
120.03861	1.7
120.16953	1.6
121.10146	26.5
123.11709	3.5
125.00558	1.8
129.06999	1.8
129.30940	1.6
130.07739	1.9
131.08578	13.8
133.10101	9.3
135.07997	1.6
135.11710	8.6
137.06035	1.5
139.07527	1.9
141.09015	1.7
142.07770	1.9
143.08568	4.2
145.10120	5.8
147.11684	3.6
149.13248	41.5
149.14389	3.3
157.10167	5.2
159.11684	19.7
171.11740	4.1
173.13264	2.2
177.12727	6.8
185.13203	3.5
195.13808	8.3
199.14809	3.2
213.16394	4.7
230.35820	1.8
269.07990	1.9
269.11893	4.7
269.17410	19.8
269.22495	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	6.5
55.01871	5.2
55.05511	27.5
56.08796	2.0
56.96560	4.0
57.03437	29.5
57.07081	5.0
67.05506	87.2
69.07068	31.7
70.60379	4.7
70.60780	3.6
71.04987	8.4
73.02859	2.1
79.05493	60.3
79.05957	3.0
80.89950	2.4
81.07056	100.0
83.04986	13.8
83.08620	23.7
85.02853	1.9
85.06529	7.6
91.05489	30.9
93.07043	70.8
93.07635	3.6
95.04962	10.4
95.08607	26.3
97.06533	15.4
97.10162	2.8
99.08082	5.3
105.02761	2.3
105.07011	11.3
107.04942	2.8
107.08593	40.2
109.06496	5.0
109.10153	3.6
111.08071	9.4
111.91206	2.3
117.07004	10.2
119.08591	4.7
121.06434	2.7
121.10134	20.6
123.11697	4.1
131.08557	13.1
133.10130	12.8
135.08025	3.2
135.11682	11.6
137.02332	2.5
149.06053	2.7
149.09727	2.4
149.13261	41.9
159.11729	16.0
167.03374	2.5
177.12744	7.6
195.11871	2.7
195.13780	8.2
211.14761	2.8
241.08646	2.1
269.08133	12.3
269.11313	4.0
269.17422	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
54.10642	1.4
55.01860	5.3
55.05510	22.1
57.03434	37.1
57.07061	5.3
65.03938	2.2
67.05502	76.0
68.05830	1.3
69.03409	2.7
69.07065	31.4
69.55260	10.9
71.01340	1.9
71.05000	7.6
79.05492	51.2
81.03432	2.9
81.07053	100.0
83.04966	9.8
83.08609	16.5
85.06533	5.3
91.05478	29.4
93.07040	74.7
95.04961	10.1
95.08606	32.8
97.06526	15.2
97.10126	2.2
99.08083	3.8
100.14476	1.4
103.05485	2.5
105.07027	14.2
107.04976	3.6
107.08596	40.1
109.06512	3.8
109.10135	6.8
111.08075	9.2
113.09623	1.9
117.07018	13.2
119.08567	7.5
121.06495	3.3
121.10138	24.4
123.08070	2.4
123.11690	3.7
125.09631	1.6
129.07031	2.3
131.08582	10.2
133.10124	11.8
135.08038	4.2
135.11674	11.2
137.02310	1.5
139.11165	1.7
142.27921	1.3
143.08537	2.4
145.10132	4.4
147.11696	2.5
149.05978	31.5
149.13258	40.4
157.10060	3.4
159.11691	19.4
161.13292	1.3
163.07478	1.4
165.05661	1.5
165.07085	2.2
171.11710	3.4
173.13300	3.1
175.75374	1.3
177.12688	6.5
185.09616	1.5
185.13213	1.7
195.08066	2.2
195.13763	6.5
199.14780	1.5
213.16495	1.8
223.07584	1.7
241.08522	3.1
251.07071	2.9
251.14708	6.1
251.20140	2.6
252.16078	2.3
267.77991	1.4
269.08060	15.1
269.11237	2.0
269.12643	1.9
269.15320	1.7
269.17432	20.6
269.22632	6.1
270.17441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	3.0
55.01867	3.3
55.05519	21.7
56.96556	1.9
57.03436	28.3
57.07050	4.7
61.65247	1.8
65.03954	2.7
67.05506	72.7
68.11812	1.6
69.03392	2.4
69.07065	28.7
69.49052	15.0
71.04987	6.0
71.11956	2.1
76.77357	1.5
78.99930	1.6
79.05495	46.3
79.55350	1.6
81.03450	2.4
81.07056	100.0
83.04980	7.4
83.08612	20.2
85.06525	7.6
91.05479	28.6
93.07043	67.1
95.04980	9.5
95.08598	26.6
97.06527	15.6
98.20763	4.0
105.07046	11.1
107.07867	2.6
107.08590	32.7
109.06516	4.8
109.10141	4.4
111.08080	8.4
113.05999	2.5
117.07034	10.5
119.08595	4.5
121.10143	17.7
121.43293	1.9
123.11697	3.9
129.07065	2.1
131.08548	15.6
132.29137	1.9
133.10147	13.9
135.11697	9.3
137.02347	2.4
139.11171	2.1
139.61412	1.6
142.07802	2.5
143.08559	2.0
145.10136	2.9
147.11723	3.7
149.09605	2.2
149.13257	35.9
151.11157	2.8
155.08618	2.5
157.10123	3.7
159.11674	21.7
171.11703	3.0
177.12767	7.5
181.45456	1.8
183.11617	1.8
186.77724	1.7
187.96797	2.0
195.12248	1.9
195.13754	9.1
199.11349	1.9
241.08665	2.8
269.08069	12.4
269.11221	2.5
269.17322	34.2
269.21982	2.6
293.86243	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03942	4.8
55.01870	2.5
55.05513	24.3
57.03435	30.8
57.07071	2.3
67.05502	74.9
69.07066	27.7
70.02080	6.0
70.02492	5.1
71.04985	6.7
71.27126	1.8
71.83298	1.9
75.17175	2.1
79.05064	3.6
79.05492	51.1
81.07054	100.0
83.04986	6.6
83.08607	17.2
85.06554	8.2
87.95255	1.9
91.05475	25.8
93.07040	68.7
95.04974	10.8
95.08602	24.7
97.06532	16.4
97.10178	3.3
99.08093	4.9
105.07014	12.1
107.08588	35.4
109.10160	4.6
111.08082	9.7
117.07005	13.0
119.08572	2.1
121.10123	13.9
125.45979	2.0
131.08542	12.4
133.10092	13.9
135.11668	11.7
139.53079	2.0
141.87175	2.3
147.11638	2.4
149.13258	42.2
149.96492	2.1
157.10153	3.2
159.11671	20.3
177.12721	10.0
195.13872	9.7
269.08179	3.6
269.17435	34.1
278.92126	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35316	1.6
53.00309	2.2
53.03922	4.2
55.01868	3.1
55.05508	24.5
57.03436	34.1
57.07061	3.7
65.03922	3.6
67.05505	75.9
69.07066	28.7
70.32709	2.8
70.33080	6.5
71.04975	5.6
74.32735	1.5
79.05493	41.9
81.03410	2.1
81.07053	100.0
83.04981	10.2
83.08630	21.0
85.06518	6.3
91.05482	27.1
93.07040	75.1
93.07631	3.7
95.04968	11.0
95.08614	26.2
97.06521	14.8
97.10146	3.3
99.08055	3.5
105.07025	10.8
107.08593	36.9
109.06542	3.6
109.10155	6.0
111.08092	9.9
116.12189	1.9
117.07012	14.0
119.08580	5.2
121.06452	2.6
121.10145	20.1
123.11680	4.8
131.08585	12.4
133.10130	11.3
135.08034	2.8
135.11703	12.5
149.13266	38.3
157.10161	3.3
159.11668	15.7
177.12718	8.6
185.13249	2.2
195.13766	10.0
213.14764	2.2
223.99484	1.7
246.84731	1.9
269.08063	6.2
269.12296	1.4
269.17401	27.4
269.19699	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	3.2
54.33039	1.4
55.01862	4.4
55.05507	26.2
56.96558	3.7
57.03436	30.4
57.07072	5.6
65.03937	3.3
67.05503	85.6
69.03423	3.9
69.07066	33.3
69.95492	5.9
69.95898	3.9
71.04979	7.3
71.08614	2.5
73.02906	1.5
79.05493	53.9
81.03413	3.2
81.07056	100.0
81.76501	1.5
82.07397	1.7
83.04980	10.3
83.08619	21.8
85.02881	1.9
85.06539	5.5
91.05477	29.8
93.07044	70.8
95.04948	10.3
95.08604	30.8
97.06522	16.6
97.10165	3.8
97.35908	1.9
99.08097	5.3
103.05476	1.6
105.07033	16.4
106.22495	1.6
107.05006	3.1
107.08591	41.3
108.45560	1.5
109.06512	6.0
109.10164	9.7
111.08112	9.6
111.08790	1.6
117.07021	14.4
119.08569	11.3
121.06510	3.5
121.10140	20.6
123.08125	2.0
123.11711	6.6
129.06987	3.2
131.08571	14.6
133.10130	18.0
133.70143	1.7
135.08078	3.3
135.11674	13.8
137.02350	2.6
143.08611	4.7
145.10098	4.5
147.11696	3.9
148.32884	1.6
149.05954	2.2
149.09679	1.7
149.13257	41.1
151.11104	2.3
153.06915	2.1
156.09325	1.7
156.21135	1.6
157.10156	7.4
159.11690	25.2
161.13290	4.1
167.03413	5.5
167.14359	2.6
169.10126	2.9
171.11658	4.1
173.13287	4.3
177.12735	6.9
183.11545	2.2
184.05034	2.0
185.13300	3.3
187.14807	1.9
189.04381	3.4
195.13812	13.1
199.14906	2.6
207.05373	1.8
212.16420	1.7
213.16409	5.4
223.07489	3.4
241.08588	2.1
269.07974	15.1
269.11508	3.2
269.17432	36.7
269.22464	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
52.90978	1.3
53.03928	3.2
55.01871	6.3
55.05506	9.6
56.96579	1.7
57.03435	8.9
57.07080	1.8
65.03934	2.7
66.42500	1.3
67.05508	26.1
69.03432	5.5
69.07069	15.0
70.06598	2.6
71.05005	9.1
71.58408	1.6
79.05061	3.0
79.05495	32.4
79.59035	1.4
81.03429	1.6
81.07058	39.7
83.04976	9.0
83.08617	5.0
84.04513	3.3
84.08156	1.6
85.06539	15.4
86.09709	1.9
91.05475	26.8
93.07045	23.1
95.04981	10.0
95.08601	18.6
97.06535	9.1
99.04459	1.9
99.08133	1.9
101.06006	4.0
103.05473	7.4
105.07043	24.8
107.04957	71.3
107.08592	14.6
109.06535	8.9
109.10167	6.4
111.08141	2.3
113.06027	2.0
115.05466	7.1
117.07030	13.9
118.06545	4.7
119.04972	3.2
119.08569	10.9
120.05741	1.7
120.08158	2.1
121.06502	6.0
121.10162	10.1
123.04423	4.9
123.08089	3.3
124.03960	1.7
124.05260	2.0
125.05965	3.6
125.09664	2.5
127.07596	7.4
128.06235	1.9
129.07057	4.0
131.04944	4.1
131.08572	15.9
133.06477	5.1
133.10112	10.9
135.04404	2.3
135.08063	22.4
135.11674	9.1
137.02321	2.0
137.05974	3.0
137.09579	1.6
141.06970	2.4
142.07770	2.7
143.08585	4.0
144.09383	2.4
145.06482	16.5
145.10136	11.6
147.04428	2.5
147.08003	3.3
147.11674	11.1
149.09625	9.5
149.13242	5.1
151.11191	2.1
154.06255	4.7
154.07703	1.4
157.10059	7.8
158.07291	2.8
159.08081	3.8
159.11678	16.7
160.05196	2.4
161.05907	2.0
161.09605	2.1
161.13249	3.0
163.07550	28.9
163.11172	3.3
167.07063	27.8
167.08479	2.9
169.10133	5.8
172.08804	3.1
173.13284	2.0
175.11137	17.5
175.14857	2.0
177.07051	3.1
180.07809	7.1
181.06461	2.6
187.11191	36.3
187.14816	2.1
188.11490	1.6
191.10704	2.8
193.08585	2.0
195.10167	100.0
196.10605	1.8
203.10686	9.5
205.06519	5.8
205.12251	9.6
209.11703	2.4
215.10678	4.5
215.17912	2.3
220.11014	2.9
221.11722	12.8
223.07574	21.5
233.06020	3.1
233.11737	32.1
239.12692	1.9
241.08739	1.7
251.07108	17.3
251.12781	56.7
269.05032	2.3
269.08154	13.1
269.13751	7.1
269.17477	2.8
269.21423	1.7
287.14111	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0808
Annotation	5-Hydroxy-7-methoxyisoflavone
Peak:m/z	Relative Intensity
53.03942	1.7
55.01867	2.2
55.05507	10.5
57.03445	6.4
57.07054	1.4
57.87158	1.0
63.79817	1.0
65.03941	15.1
67.05503	48.3
67.82896	1.0
68.99773	1.7
69.07069	11.3
69.47281	9.9
70.77174	1.0
71.04977	3.5
79.05493	18.5
81.03407	1.1
81.07052	36.9
83.04981	2.4
83.08619	6.2
85.06535	2.3
91.05479	100.0
93.03380	2.3
93.06489	1.5
93.07044	25.0
95.04970	11.6
95.08606	21.8
96.67757	1.1
97.06509	3.4
97.10162	2.0
105.07017	6.9
107.04929	3.3
107.08607	12.7
109.02869	2.4
109.10156	10.6
111.08084	2.0
115.05410	1.2
117.06977	3.0
119.08582	3.0
121.02878	8.4
121.03674	1.4
121.06508	2.5
121.10135	10.6
123.04440	3.5
123.07963	1.3
123.11723	4.2
128.06181	1.3
131.08548	4.8
133.06477	3.5
133.10124	5.9
135.04390	2.0
135.08037	1.9
135.11717	3.9
137.02318	2.4
137.09604	1.4
137.13281	1.3
141.05511	1.5
145.10141	2.7
147.11702	1.4
149.02330	22.8
149.09648	1.8
149.13264	8.6
152.06233	2.7
153.07021	1.4
155.08554	2.5
159.11726	3.4
163.03857	6.3
163.11174	1.2
165.06987	2.9
167.03400	93.9
167.08542	4.5
168.03720	1.3
173.13181	1.9
176.06180	3.0
177.06995	5.8
177.12776	3.1
178.02574	2.2
181.05032	2.2
181.12294	1.4
183.08064	1.4
185.13167	1.3
191.03389	13.4
191.17969	2.1
195.08081	2.8
195.13774	2.8
208.40427	1.2
209.04445	19.0
215.17987	4.8
223.07549	2.5
227.06964	1.3
233.18929	2.3
239.07065	2.0
251.07074	14.3
251.19984	2.6
269.08081	94.4
269.17502	4.4
269.22580	2.4
270.08490	1.4
273.91705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.7
55.01864	0.6
65.03936	7.0
67.05484	0.3
69.07046	0.3
69.89208	0.5
79.05487	0.2
80.15617	0.1
81.07029	0.3
83.01342	0.1
83.04964	0.2
91.05476	0.3
93.02818	0.2
93.03397	4.5
93.07024	0.3
94.54008	0.1
95.01334	0.7
95.04949	0.2
95.08583	0.3
103.01812	0.4
105.07003	0.2
111.04417	0.8
111.08078	0.1
121.02861	4.2
121.06480	0.5
121.80183	0.1
131.01279	7.6
131.08499	0.2
132.01631	0.1
149.02327	14.0
149.13264	0.1
150.02670	0.2
154.33461	0.1
157.10135	0.1
159.11632	0.1
163.03835	0.2
167.03387	100.0
168.03714	1.4
169.03839	0.2
177.37846	0.1
226.06241	0.2
269.08069	2.4
269.18979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01856	0.4
57.03433	0.5
67.78418	0.3
68.74537	0.3
69.03385	0.3
71.02355	0.5
74.23201	0.2
79.71279	0.3
85.02911	0.3
115.00584	0.3
119.03556	0.8
136.06178	100.0
137.04605	0.7
137.06483	0.8
185.67952	0.3
268.10364	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56741	5.8
77.60181	4.4
94.92998	11.7
106.95332	4.8
112.89600	11.1
136.94025	12.3
137.76665	5.3
146.38115	4.7
153.44621	5.4
176.93422	6.4
187.40956	5.9
268.95084	9.3
268.98236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Curvularol
Peak:m/z	Relative Intensity
53.03924	3.9
55.05520	18.7
56.08200	3.5
57.03440	24.3
67.05502	41.8
69.07060	11.4
71.58871	5.3
79.05486	26.2
81.03416	100.0
81.07050	72.8
83.04975	7.3
83.08612	19.7
84.61550	3.9
87.68309	3.5
91.05476	37.6
91.62261	3.6
93.07043	13.7
95.04987	17.6
95.08611	17.9
97.06513	3.5
99.08073	4.3
105.07019	35.3
107.04971	6.5
107.08580	6.9
109.06525	6.2
109.10136	4.4
111.08086	5.7
119.08583	24.0
121.10150	14.6
123.11713	13.0
129.06984	8.4
131.08597	6.5
133.10176	4.9
147.10753	4.6
147.11697	35.1
149.09590	4.0
157.10127	10.2
165.12764	15.7
175.11153	6.0
193.12239	13.7
228.57301	4.2
232.65643	3.5
267.15854	61.5
274.13992	3.7
275.73105	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03929	6.0
55.01873	12.2
55.05270	2.6
55.05510	36.2
56.59336	1.7
56.96535	3.0
57.03186	2.5
57.03433	24.1
57.07053	3.0
65.03924	4.0
67.05499	68.1
69.03405	6.6
69.06729	2.3
69.07066	36.5
69.97131	7.5
71.04973	6.7
79.05487	65.8
81.03412	23.7
81.07049	100.0
82.07365	1.7
83.04482	2.6
83.04977	39.8
83.08636	11.2
85.02919	1.9
85.06536	4.3
87.04454	2.5
90.03880	1.6
91.04893	4.0
91.05470	78.8
93.07042	51.0
95.04963	28.6
95.08601	43.3
97.02876	4.4
97.06519	16.5
97.10155	5.6
98.37635	1.8
99.04420	2.7
99.08064	3.2
103.05450	2.4
105.07027	56.6
107.04948	22.9
107.08586	17.9
109.06512	71.5
109.10149	12.9
111.04444	3.1
111.08037	4.6
111.11742	3.6
116.98613	1.7
117.07011	7.9
119.04920	3.0
119.08569	41.6
121.06463	4.2
121.10147	20.2
123.04456	2.3
123.08089	5.1
123.11684	5.9
125.05938	2.2
125.09588	3.1
127.07542	4.4
129.07022	14.2
131.08537	18.5
133.06447	3.2
133.10133	29.1
134.99644	2.0
135.08060	4.0
135.11707	8.3
137.05968	38.6
137.09627	4.4
139.11172	14.6
141.07013	2.0
142.07785	4.3
143.08549	5.4
145.10115	7.7
147.08029	8.0
147.11670	24.3
149.09634	4.5
149.13322	2.3
151.07516	3.2
151.11177	3.3
155.08559	5.7
157.10112	19.7
159.11626	3.2
161.09636	2.1
161.13292	2.9
163.11176	5.8
165.06960	4.2
165.09108	8.1
165.12721	5.6
167.14296	3.4
169.10107	5.7
171.11688	5.0
173.13220	2.9
175.11182	15.8
176.20538	1.6
178.10214	1.7
179.08528	2.2
179.10529	2.6
183.11702	5.3
185.13248	5.3
187.15024	1.9
189.16313	4.1
193.12172	11.3
197.13287	4.7
203.17996	2.3
211.14838	6.1
213.16383	9.0
221.15283	2.6
223.07500	2.0
224.08238	2.1
225.16595	2.5
231.17470	6.2
239.07022	6.8
249.14684	2.5
249.18480	19.1
267.06476	15.3
267.09818	2.7
267.15787	21.0
267.18835	2.2
267.21021	11.0
278.44040	2.2
285.10120	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03938	9.8
55.01852	12.2
55.05508	50.4
55.94322	4.4
56.96551	7.7
57.03419	17.4
58.58796	4.0
67.05176	5.8
67.05507	63.0
69.03411	7.0
69.07038	17.7
71.01357	31.9
71.04964	8.4
79.05492	71.0
81.02985	7.4
81.03417	100.0
81.07053	79.0
83.04974	21.2
83.08630	26.7
85.02905	25.9
85.06550	5.6
91.05471	57.2
93.07041	41.8
95.04979	55.4
95.08607	31.4
97.06514	12.6
97.10196	28.5
103.05421	5.3
105.03386	7.5
105.07031	43.7
107.04961	23.4
107.08591	33.6
109.06510	16.8
109.10150	10.9
111.04425	6.1
111.08099	5.9
117.07001	13.0
119.08572	35.6
121.06504	12.8
121.10136	15.7
123.04388	14.9
123.08043	10.2
123.11720	6.9
125.09613	20.0
128.06241	5.2
129.06982	14.7
131.08591	16.8
133.06482	9.9
133.10088	14.3
133.99052	4.5
135.08037	11.3
135.11685	7.8
141.06992	6.7
143.08499	4.8
145.10091	7.0
147.07999	8.9
147.11667	19.6
149.09523	5.0
153.09088	7.6
155.08580	4.9
155.23854	3.8
157.10074	10.2
159.11665	10.1
161.13231	6.4
163.11160	5.9
165.06960	8.8
165.12709	6.8
171.04393	5.3
171.11646	6.9
175.11235	8.8
177.17798	4.9
179.14339	5.9
185.13258	10.9
189.11169	6.4
193.12196	11.3
203.14238	11.8
211.07545	14.9
213.05411	11.7
213.12738	11.9
231.13744	12.4
239.06917	10.5
245.04750	7.0
247.05576	4.5
249.14766	16.0
267.06512	93.5
267.09302	4.2
267.15784	37.4
267.21014	5.6
281.57623	4.4
285.10016	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Grangolide
Peak:m/z	Relative Intensity
52.61870	1.3
53.03940	6.0
54.85182	1.2
55.01871	4.6
55.05511	11.8
57.03434	21.8
57.07068	1.9
65.03915	1.4
67.05502	23.2
69.03421	5.1
69.07062	7.4
69.46605	1.3
70.82983	2.0
70.83307	2.7
71.04984	4.2
79.05491	24.8
81.03414	100.0
81.07052	37.3
83.04981	9.9
83.08617	14.5
85.02905	2.3
85.06532	2.1
91.05476	34.9
93.07043	17.4
95.04967	22.9
95.08607	16.9
97.02896	2.4
97.06522	4.6
97.10201	1.8
99.08103	1.8
105.07019	25.7
106.07378	1.4
107.04961	6.5
107.08582	6.1
109.02863	1.3
109.06516	8.4
109.10155	4.1
111.04391	2.2
111.08070	5.7
113.06007	1.4
115.05441	2.2
116.64170	1.3
117.07000	3.0
119.07796	2.0
119.08577	19.7
121.06496	3.9
121.10128	12.4
123.08071	3.5
123.11692	3.8
125.09640	1.6
128.06183	2.6
129.06999	11.3
131.08580	10.2
131.81450	1.2
133.06519	2.2
133.10095	10.4
135.08040	1.7
135.11676	2.5
137.09645	4.0
142.07782	3.6
143.08546	1.5
145.10107	2.7
147.08026	2.6
147.11687	20.2
149.09627	4.9
157.10123	12.0
159.11697	2.0
163.11157	1.4
165.12808	5.5
175.11177	10.8
177.63789	1.2
193.12238	17.2
211.13295	2.1
228.87993	1.2
239.07002	1.9
249.14847	1.8
249.18394	1.9
267.15927	39.2
287.05618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03940	1.2
55.05508	7.5
56.96554	2.7
57.07066	1.7
65.03933	2.3
67.05502	100.0
68.05850	1.2
69.07066	6.1
71.04975	1.7
71.13116	1.9
75.87798	1.1
79.05490	13.1
81.07053	86.3
82.07393	1.1
83.08604	3.3
85.06540	2.0
91.05486	4.3
93.07038	10.9
94.58739	0.9
95.04951	1.4
95.08604	62.8
97.10172	2.2
105.07023	3.5
107.08586	5.5
109.06521	1.4
109.10150	54.1
109.77157	1.1
117.07037	2.6
119.08566	2.6
121.10131	6.5
123.04456	1.2
123.08079	1.6
123.11697	23.4
131.08585	3.3
133.10129	3.0
135.11696	4.0
137.13249	4.5
145.10101	2.5
147.11659	2.9
149.09663	1.2
149.13249	2.0
151.11127	2.1
159.11668	2.1
163.11148	1.9
163.14789	1.8
173.13284	2.6
177.12816	1.4
181.12361	1.0
187.14833	1.7
189.93306	1.2
195.13722	1.7
200.48938	1.0
209.15388	1.2
213.08128	1.1
223.16971	1.4
229.19441	1.3
243.08989	3.7
247.20583	3.0
261.10092	4.6
265.21631	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	27.2
60.06201	0.5
67.05489	1.8
68.05845	0.9
71.57909	0.8
71.95245	2.0
72.96046	0.9
81.07036	1.7
82.07378	0.6
87.46809	0.6
95.08599	1.2
96.08926	1.2
103.00718	3.9
115.00700	1.9
121.01758	5.0
127.00690	0.8
129.02292	0.8
133.01715	2.3
139.02740	1.0
145.01685	1.2
147.03275	2.4
153.02145	0.7
155.03758	1.7
159.03279	1.3
169.01689	1.1
170.57706	0.6
171.03288	2.9
173.04871	10.5
187.06468	1.0
189.04391	0.7
189.07959	0.8
191.05919	5.5
196.06488	0.8
197.08501	2.2
199.06378	3.1
199.09972	0.8
201.07964	1.7
203.05853	1.1
213.07953	0.8
215.09540	3.7
217.07462	2.3
217.11154	1.2
219.09038	1.5
225.07942	7.0
243.09033	100.0
244.09367	1.4
261.10080	80.3
262.10498	1.6
266.10635	14.5
267.11023	0.8
284.11703	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.9
51.94225	0.9
53.03952	4.7
55.01874	8.3
55.05508	25.9
56.96538	0.9
57.03438	19.6
57.07052	2.8
59.04990	1.6
65.03931	2.9
67.05500	55.7
69.03434	5.4
69.06724	1.4
69.07063	20.2
70.70482	3.1
70.70866	0.7
71.04980	5.7
79.05492	45.6
81.03415	59.4
81.07053	100.0
83.04977	15.7
83.08618	16.8
85.02876	1.1
85.06553	6.4
87.04447	2.2
91.05476	44.8
91.85559	0.9
93.06484	1.4
93.07047	23.4
95.04960	18.7
95.08603	39.5
97.02898	1.3
97.06532	9.3
97.10173	4.3
97.10736	1.0
99.08073	3.7
101.06010	1.7
103.05503	1.3
105.03390	1.6
105.07026	47.0
107.04951	5.0
107.08589	15.8
109.06532	11.6
109.10146	10.1
111.04471	1.5
111.08072	7.9
113.05948	1.1
115.05431	2.9
117.07011	3.4
119.04936	0.8
119.08574	30.1
121.06521	2.1
121.09309	1.6
121.10142	18.6
123.08068	19.8
123.11700	19.4
125.09648	4.5
127.07529	2.5
129.06996	8.2
131.08566	9.1
133.02859	10.0
133.06479	2.7
133.10120	13.6
134.03606	3.5
135.08049	2.2
135.11684	2.6
137.05962	3.0
137.09589	3.8
137.13261	1.7
139.07512	1.1
141.06984	3.3
141.09085	1.1
142.07777	2.5
143.08548	1.9
145.10114	3.3
147.08005	3.3
147.11682	47.8
149.02336	0.9
149.09653	4.5
149.13170	1.8
151.03889	3.2
151.07513	4.2
153.06964	6.1
154.07732	1.2
155.08566	5.9
157.10127	10.3
159.11646	1.1
161.09630	1.7
161.13252	1.3
163.11203	1.5
165.07001	22.1
165.09039	1.6
165.12735	17.2
166.07541	1.0
168.05684	2.5
169.10092	1.6
171.11684	2.0
173.13231	1.1
175.11191	6.4
175.14841	0.9
179.10651	1.6
181.06441	1.8
183.08047	20.2
183.13823	1.1
185.13223	1.2
189.16403	2.0
193.06294	2.1
193.12225	8.8
194.07310	1.6
195.07982	0.8
197.05956	1.2
203.17946	1.5
210.06766	3.8
211.07552	15.5
211.13193	1.8
211.14964	2.0
213.16367	2.9
221.05951	9.6
221.18929	1.4
231.17441	2.3
239.07010	59.8
240.07259	1.4
249.14865	1.4
249.18536	6.0
267.06497	39.8
267.09610	1.6
267.15903	60.8
267.19400	3.5
268.06863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05513	13.9
57.07070	7.1
59.22460	1.2
62.91056	1.0
65.03928	2.7
67.05502	100.0
68.05826	1.5
69.07058	12.1
69.88495	3.3
69.88906	4.0
70.10332	1.1
71.04995	1.5
71.08610	2.2
79.05139	1.2
79.05489	13.9
81.07055	90.9
83.04968	1.4
83.08613	6.9
85.06527	3.3
88.07648	1.3
88.73980	1.0
91.05462	3.1
93.07039	12.7
95.08604	91.6
97.06496	1.9
97.10152	3.3
99.08069	1.2
105.07008	3.4
107.08599	7.7
109.06514	2.0
109.10151	61.7
119.08567	3.6
121.10143	8.2
123.08029	2.0
123.11703	23.1
131.08546	3.3
132.10196	3.9
133.10112	3.0
135.11693	6.6
137.09612	2.1
137.13225	5.2
145.10081	2.7
147.11674	3.5
149.13243	2.7
151.11102	1.6
151.14796	1.4
157.67305	1.4
159.11684	2.4
163.11180	1.4
163.14799	2.5
173.13269	3.1
177.12825	1.6
181.12236	1.3
181.33643	1.0
195.13835	2.8
209.15298	2.1
223.16946	1.3
227.62631	1.3
229.19505	2.3
233.93404	1.3
247.20543	2.4
247.24249	2.4
256.26367	3.8
265.11996	1.3
265.18744	1.2
265.21616	29.2
265.25223	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2161
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.12204	0.9
50.52364	0.9
51.27048	0.7
51.98179	0.9
53.03931	1.7
55.01845	0.7
55.05512	6.9
56.96561	1.6
57.07059	2.9
64.44279	0.9
65.03918	2.7
67.05501	100.0
68.05836	1.1
69.07068	7.1
70.83633	2.7
71.04994	1.5
79.05482	11.4
81.07052	77.0
82.07391	0.9
83.04966	1.1
83.08618	3.5
85.06540	1.9
85.98286	0.9
91.05453	4.5
93.07037	11.2
95.04941	1.2
95.08604	49.5
95.75663	0.9
97.06528	1.9
97.10144	1.6
101.46708	1.1
105.07024	3.2
107.04941	1.3
107.08598	6.2
108.37305	0.8
109.06506	1.1
109.10150	51.6
111.08083	1.1
117.06999	1.5
119.08568	3.5
121.06514	1.1
121.10139	4.9
123.08047	2.3
123.11703	22.6
131.08546	2.5
133.10109	2.3
135.08041	1.1
135.11671	3.4
137.09583	1.2
137.13274	4.0
145.10146	1.8
147.11736	1.5
149.09596	1.4
149.13226	3.0
159.11716	1.5
160.81108	0.9
163.11220	1.8
173.13268	2.1
177.12717	1.2
181.12158	0.9
187.14787	1.4
195.13808	1.7
209.15375	1.8
223.16798	1.3
229.19499	1.6
242.40489	1.0
243.09079	1.6
247.13307	0.9
247.20560	2.3
261.10168	1.1
265.18008	3.7
265.21609	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03938	1.1
55.05509	6.8
56.96561	2.1
57.07064	2.0
65.03939	3.7
65.83862	0.7
67.05500	100.0
69.07061	7.7
71.05004	1.2
71.58208	1.5
71.58601	0.8
77.25100	0.9
79.05491	11.6
79.76372	0.8
81.07052	84.8
82.07381	1.1
83.04962	0.8
83.08615	3.4
84.71807	0.8
85.06534	1.2
91.05472	3.2
93.07034	11.4
95.04960	2.0
95.08601	57.3
96.08897	0.8
97.06524	1.2
97.10197	1.3
105.07023	3.6
107.08597	6.5
109.06498	1.1
109.10149	47.6
111.11749	1.0
117.07043	1.1
119.08566	3.0
121.10127	5.7
123.08066	1.8
123.11698	24.5
131.08554	3.0
133.10149	1.8
135.11716	4.6
137.09631	1.2
137.13257	5.2
145.10112	1.9
147.11674	1.4
149.09598	2.0
149.13255	2.5
151.14798	1.0
153.09103	0.9
159.11702	2.9
163.14787	1.2
165.12729	1.1
173.13231	2.6
177.12755	1.7
181.12126	0.9
187.14737	2.0
191.14262	1.5
195.13794	1.8
209.15291	1.3
229.19571	1.9
243.08957	4.7
247.20602	2.7
261.10172	3.5
265.18481	1.8
265.21603	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05519	19.0
57.07075	8.5
61.50247	2.5
67.05511	100.0
68.05849	6.0
69.07076	17.0
70.44382	9.4
71.08637	6.1
79.05511	20.7
79.18045	2.7
81.07065	98.6
82.07397	5.5
83.08627	10.5
83.46817	3.2
85.06557	4.1
91.05500	7.8
93.07041	15.0
94.24636	2.4
95.04981	3.9
95.08051	5.5
95.08617	66.4
96.08952	4.9
97.06524	5.6
97.10185	5.9
98.04628	2.9
99.08108	4.2
105.07050	4.3
107.08602	13.3
109.06491	2.9
109.10162	32.5
110.10497	3.5
111.08121	3.5
119.08595	6.0
121.10155	13.7
123.11710	17.3
131.08615	4.9
133.10156	3.8
135.11716	9.6
137.13271	7.3
145.10147	5.1
147.11761	3.5
159.11806	3.9
168.02057	2.5
173.13403	3.6
179.19028	2.9
209.11615	3.4
237.05293	3.0
240.13887	3.0
247.23915	4.6
265.12259	8.6
265.18079	4.4
265.21680	16.1
265.25107	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	[S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester
Peak:m/z	Relative Intensity
53.03942	3.2
55.01860	4.0
55.05512	12.5
56.96554	2.0
57.03440	14.6
57.07055	1.9
59.04999	1.5
65.03926	1.7
67.05505	42.2
69.03403	2.6
69.07061	6.5
71.04984	3.5
71.58067	1.6
74.54613	0.9
79.05496	17.8
81.03400	3.6
81.07056	36.2
81.36197	1.0
83.04990	5.2
83.08623	2.8
84.08114	1.0
85.06531	4.7
91.05479	18.2
93.07044	19.0
95.04970	18.5
95.08611	25.2
97.02973	1.0
97.06525	3.4
99.04452	1.5
102.83091	0.9
105.07040	13.1
107.04962	3.5
107.08585	8.7
109.06521	100.0
109.10158	14.6
113.05991	1.3
117.07013	4.7
119.08586	7.2
121.02842	1.8
121.06509	3.5
121.10159	3.8
123.04406	2.2
123.08080	16.7
123.11717	4.2
123.99211	0.9
125.09702	1.1
128.37332	1.1
129.07008	3.7
131.08575	8.0
133.10114	7.2
135.08044	6.5
135.11708	4.0
137.05992	3.1
137.09593	4.2
142.37642	1.0
143.08562	1.6
145.10069	5.7
147.08026	1.5
147.11684	4.4
149.09592	5.3
149.13268	1.3
151.11278	1.1
157.10127	2.9
159.11661	3.0
163.11226	3.5
163.14890	1.4
169.10182	1.7
171.11708	1.9
173.13252	5.0
175.11197	3.8
191.14308	6.4
201.16422	2.5
207.17206	1.1
211.14713	1.2
219.13823	1.9
219.17427	3.3
223.13287	1.6
229.15816	3.9
247.13245	2.5
247.16962	10.1
265.14917	2.1
265.17975	31.5
265.21576	3.0
287.05374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05500	10.3
56.96548	3.4
57.07059	5.6
65.03915	2.9
67.05500	100.0
69.07056	8.5
69.99115	11.0
71.04965	2.9
79.05482	12.3
81.07055	84.7
83.08591	4.4
85.02946	2.5
85.06519	4.0
87.66019	2.7
91.05476	6.4
93.07035	11.9
94.34366	2.3
94.93211	2.4
95.04964	3.4
95.08604	64.4
97.06564	2.6
98.21498	3.5
105.07036	6.1
107.08591	10.0
109.06501	4.6
109.10144	48.5
114.43807	2.7
115.47297	2.5
119.08570	7.0
121.10159	7.3
123.11723	18.8
131.08580	5.5
133.10135	5.7
135.11674	4.9
137.13164	2.9
145.10130	2.6
147.11681	3.8
157.10068	4.3
159.36710	2.3
173.13155	4.1
195.13818	3.0
250.09624	3.4
261.10303	3.3
265.12122	2.9
265.18106	9.2
265.21753	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1543
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03939	1.0
54.91314	0.3
55.01857	0.4
55.05510	12.9
56.05025	0.7
57.05808	1.6
67.05509	1.0
69.03414	0.5
69.07051	0.4
69.39764	0.3
69.70718	2.2
70.06564	0.3
70.55936	0.4
72.08151	100.0
79.05496	1.0
81.03416	1.5
81.07058	1.2
83.04991	0.5
83.08619	0.4
84.04502	1.0
84.08160	0.5
85.02905	0.4
85.06534	0.5
86.09704	0.8
88.07640	0.4
91.05488	0.9
93.07050	1.3
95.04996	0.6
95.08627	0.4
97.02888	0.4
97.06568	0.7
103.05437	0.6
105.07031	0.8
107.04958	0.5
107.08594	0.8
109.02848	0.6
109.06549	0.4
109.10218	0.7
117.07045	0.5
118.53146	0.3
119.08575	0.6
120.08103	15.3
121.02881	0.7
121.08429	0.4
121.10169	0.7
123.04485	0.4
131.04959	0.6
131.08580	1.1
133.10139	0.7
135.08076	0.4
136.06216	0.6
136.09669	0.4
137.06088	0.4
145.10115	0.8
147.04413	0.4
149.06059	0.4
149.07660	0.3
163.11208	0.3
166.08636	9.2
166.09932	0.5
175.07544	0.4
187.07625	0.6
201.13901	0.5
205.08621	0.6
219.14995	0.6
247.09981	0.4
247.14571	0.6
265.07001	0.6
265.15570	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03930	11.5
55.01863	15.7
55.05502	10.4
56.05021	5.7
56.96550	5.6
57.03438	33.9
65.03930	14.9
66.91116	3.9
67.05499	24.8
69.03426	59.2
69.07060	6.6
70.06566	5.4
71.01338	6.1
71.04994	9.4
71.32208	3.9
71.32534	6.2
72.08121	7.3
73.02921	6.6
79.05486	24.3
81.03409	22.4
81.07040	19.0
83.04977	9.1
83.08609	6.0
83.48368	4.2
84.08140	3.9
85.02899	50.1
85.06542	4.7
86.09711	12.5
87.00816	16.9
87.04462	13.1
87.28848	4.3
88.95621	4.9
91.05466	46.7
93.03377	6.9
93.07041	34.0
95.04957	33.9
95.08598	16.5
97.02898	43.4
97.06532	9.1
99.04453	6.5
103.05485	5.7
105.01843	7.2
105.07018	48.0
106.04884	4.8
107.08569	15.0
109.02884	8.6
109.06499	20.5
109.10151	6.6
111.04426	26.5
111.08079	8.0
113.05992	9.6
115.03922	100.0
115.05457	7.0
116.06210	4.7
117.07004	12.1
119.08585	55.8
119.73988	3.5
120.08112	21.7
121.02876	22.1
121.06488	27.5
121.10135	11.7
123.04434	5.7
123.08062	9.3
123.11746	4.5
125.02339	15.8
129.07010	14.7
130.07755	4.8
131.08577	29.2
133.05011	20.2
133.06429	8.7
133.10110	10.3
135.08041	39.4
136.07561	7.0
137.09644	5.4
139.03906	22.6
141.06950	6.0
142.07777	6.3
143.08551	14.9
145.06483	14.6
145.10091	31.7
147.08080	26.5
147.11703	7.8
149.05995	8.1
149.09634	6.5
157.06477	4.8
157.10136	7.9
158.07271	11.4
159.08057	26.2
159.11691	24.5
161.04463	31.1
161.05826	6.4
161.09604	19.7
163.03909	5.8
163.07523	7.5
165.09123	16.1
168.09325	5.3
169.10184	4.6
171.11702	6.4
172.08821	13.0
173.06018	5.0
173.09627	12.3
173.13248	13.1
175.07526	31.8
175.11153	23.9
179.05460	7.1
181.04929	5.3
183.11702	5.3
187.07530	7.3
187.11142	22.2
189.09137	4.9
189.12799	9.8
193.08601	15.4
201.12752	18.8
203.10666	18.7
205.08598	7.1
211.11208	8.7
217.12328	8.7
219.13698	6.9
229.12286	13.7
231.97810	4.2
235.52574	4.1
241.42819	4.6
247.13251	12.5
265.14667	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01872	5.7
55.05493	10.2
56.96558	5.4
57.03424	6.1
67.05515	22.0
69.03442	8.3
69.07073	8.1
69.98757	22.3
79.05478	15.7
81.03394	11.4
81.07030	21.3
83.04977	6.2
83.08621	6.3
85.02888	4.7
85.40454	3.4
91.05473	19.3
93.07048	18.0
95.04956	10.5
95.08611	20.5
96.26479	4.0
97.02850	4.8
97.06544	5.7
103.05439	9.5
105.07019	14.6
107.04996	8.2
107.08569	10.7
109.02871	5.7
109.06513	16.6
109.10150	9.1
111.08072	4.7
115.05460	30.0
117.07019	62.4
119.08562	13.9
121.02882	8.9
121.06539	4.3
121.10117	9.4
122.20903	3.4
123.08038	9.7
125.09647	4.0
128.06223	8.0
129.06973	9.8
130.04167	5.4
131.04933	10.8
131.08553	14.5
133.10123	9.5
134.80199	3.8
135.08107	6.4
135.11707	6.5
137.05959	6.0
137.09604	8.4
141.06921	5.1
144.05707	6.1
145.06476	90.9
145.10173	7.8
147.04362	3.4
147.11765	4.3
149.09566	8.7
153.56471	3.6
155.06021	7.6
156.05640	17.8
157.06444	5.5
158.07278	5.3
159.07997	16.7
159.11639	4.8
160.05139	6.0
161.05977	8.6
161.09631	3.6
167.07013	6.2
169.90503	3.4
171.04428	4.1
173.05988	100.0
175.07487	9.2
187.07549	11.4
187.11200	8.4
187.14737	4.9
188.25497	3.6
190.06255	42.5
191.06841	4.3
192.07687	3.9
202.06238	3.9
203.07001	21.7
205.08589	66.9
217.08578	49.5
219.10098	6.5
219.39493	3.6
222.06308	4.0
235.09647	6.9
247.09659	4.7
247.16985	8.7
265.10742	6.6
265.14426	5.8
265.17807	7.3
287.05475	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.2
57.07076	10.7
65.09370	1.9
67.05499	82.0
69.07059	17.4
70.01237	13.2
71.08614	8.1
79.05483	22.6
80.47768	2.2
81.06590	5.1
81.07053	100.0
82.07371	2.4
83.08611	12.8
85.06541	4.6
85.10168	3.1
87.41569	2.8
91.05470	19.0
93.07032	23.5
95.08603	92.1
97.06519	10.3
97.10146	6.7
99.08108	5.3
105.07024	11.4
107.08586	15.8
109.10149	48.1
111.08106	4.9
119.08569	16.2
121.10155	20.3
123.08058	4.2
123.11697	19.3
125.09512	2.2
127.11195	2.1
133.10123	19.1
135.11679	9.4
137.09621	3.1
137.13232	9.3
141.12715	3.1
147.11668	10.1
149.13229	7.4
151.14806	7.7
161.13271	10.4
163.14815	7.2
165.16396	10.0
175.14857	9.2
176.29636	2.2
177.16347	3.0
189.16356	3.5
192.33717	2.1
217.19450	2.8
245.22630	31.3
263.17862	3.3
263.23703	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.01878	2.9
55.05515	17.6
57.07080	16.5
67.05502	90.0
69.07071	22.7
70.10530	2.6
70.83742	8.4
71.05003	4.1
71.08622	8.8
78.75500	3.2
79.05492	31.3
81.03416	4.4
81.07056	100.0
83.05019	4.0
83.08629	15.8
85.06536	6.6
91.05483	25.4
93.07046	32.9
95.04961	8.7
95.08605	78.2
97.06520	10.8
97.10132	4.8
99.08096	3.8
99.14781	2.7
104.99263	6.4
105.07029	19.5
107.08623	20.5
109.06545	3.3
109.10153	39.5
111.08056	6.3
119.08571	16.9
121.10146	18.9
123.08038	6.7
123.11678	12.9
131.08606	2.9
133.10133	17.8
135.11690	10.8
137.09639	8.1
137.13252	7.4
138.13612	3.0
147.11671	9.9
149.13286	7.2
151.11172	3.8
151.14856	6.5
161.13254	9.3
163.07404	2.8
163.14862	5.7
165.16418	4.5
171.02962	2.8
175.14815	6.6
189.66367	2.6
245.22652	15.4
247.11719	4.8
247.98567	2.7
263.14609	13.2
263.20132	12.2
263.23700	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.2
55.05491	5.6
67.05488	5.1
67.63058	3.0
68.81811	3.6
69.03407	4.4
69.59584	3.5
71.04993	4.8
71.57259	4.3
78.25513	3.6
79.05485	10.8
81.03407	12.0
81.07039	8.2
83.04951	4.4
91.05470	9.5
92.29932	3.5
93.07018	10.6
95.04960	7.7
95.08601	7.9
97.06496	3.7
103.05459	6.3
105.07008	8.9
107.04953	6.2
107.08599	6.3
109.06491	3.9
109.10140	6.4
111.04459	4.6
115.05458	32.5
117.07014	46.2
119.08606	6.6
121.02834	6.8
121.06496	4.2
121.10098	6.2
123.04431	10.6
123.08051	4.0
128.06242	5.6
129.06996	12.0
131.04895	5.1
131.08546	12.2
133.10133	6.2
137.09558	5.3
141.06999	7.5
144.05650	10.1
145.06479	96.7
145.10063	4.3
147.08006	7.5
155.06026	14.2
156.05678	18.5
157.06422	7.5
159.08064	13.4
161.05986	10.6
164.13596	3.6
164.77409	3.2
167.07034	11.8
173.05978	100.0
175.07549	8.1
187.07558	17.2
190.06245	46.3
193.08653	4.2
203.06998	17.7
205.08604	59.8
217.08607	53.3
218.09369	4.4
219.10146	6.2
223.76443	3.2
235.09538	3.8
247.09689	10.1
247.16998	4.8
265.10663	4.0
265.18008	7.2
269.11938	3.3
282.68982	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03931	3.4
55.01867	4.1
55.05508	24.6
55.21127	1.8
57.03423	8.7
57.07067	11.4
64.24562	2.2
65.03920	3.5
67.05500	100.0
69.07061	20.2
71.08628	4.0
71.10479	3.7
71.10829	2.4
79.05489	38.6
81.07050	94.7
83.08621	13.1
84.48801	2.1
85.06548	4.4
85.10168	3.0
91.05462	29.9
93.07042	41.4
95.04960	8.2
95.08602	95.7
97.06522	8.4
97.10143	6.4
99.08092	4.3
104.99264	2.8
105.07021	18.2
107.04913	2.4
107.08599	26.9
109.06541	5.0
109.10150	34.1
111.08069	4.5
113.09633	3.1
119.08582	17.2
121.10137	18.3
123.08059	5.6
123.11726	14.2
125.09683	2.0
131.08536	4.3
133.10132	14.7
135.08031	3.0
135.11667	15.0
137.09627	4.0
137.13234	7.4
145.10106	4.0
147.11690	10.9
149.13251	7.3
151.14838	8.1
159.10193	3.6
161.13242	9.1
163.14778	4.9
165.16374	5.6
171.11664	3.6
173.13258	3.1
175.14822	6.7
189.16422	3.0
245.22610	18.0
247.11533	4.4
248.12209	3.6
263.14655	23.2
263.20084	20.3
263.23679	37.3
263.26273	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05511	16.6
57.07073	14.3
65.03952	2.7
65.34776	2.6
67.05505	88.6
69.07065	19.0
69.95049	10.9
71.08610	4.9
71.56608	2.3
79.05494	20.2
81.07055	100.0
83.08629	13.2
85.06526	4.2
85.10175	3.6
91.05479	20.5
93.07040	17.4
95.08605	85.6
97.06503	7.1
97.10162	5.7
99.08104	6.9
104.93604	2.4
105.07042	13.1
107.08583	15.0
109.10147	40.8
111.08050	6.6
113.09635	4.8
119.08583	11.6
121.10136	19.9
123.08103	2.9
123.11693	15.8
131.08546	2.2
133.10138	18.8
135.11665	10.8
137.13211	5.9
138.33847	2.1
147.11644	8.1
147.58789	2.1
147.98483	2.5
149.13255	5.6
151.14835	6.8
161.13271	11.1
163.14812	5.6
165.16418	6.2
175.14813	8.1
179.17982	2.7
189.16402	3.3
245.22636	18.3
263.23688	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05502	14.2
57.07071	10.3
65.03948	2.4
67.05501	81.8
67.17096	1.5
69.07063	14.9
69.42817	15.5
71.04968	2.3
71.08614	4.1
77.91338	1.7
79.05491	28.7
81.07051	100.0
83.08614	11.6
85.06539	5.3
91.05476	15.7
93.07037	24.3
95.04972	4.1
95.08601	77.3
97.06530	7.5
97.10167	5.5
99.08093	3.2
105.07013	12.1
107.08582	16.1
109.10149	38.3
111.08066	3.5
113.09624	3.2
119.08590	10.0
121.10136	16.1
123.08048	2.1
123.11680	15.7
127.11205	2.3
133.10138	13.9
135.11678	10.9
137.09676	2.2
137.13257	4.8
141.12686	2.6
145.10181	1.6
147.11621	9.4
149.13249	5.6
151.11154	1.6
151.14777	8.1
154.70235	2.0
161.13219	8.0
163.14827	6.1
165.16383	6.1
175.14833	7.0
179.17870	1.8
189.16446	3.3
245.22638	21.1
263.20535	3.5
263.23697	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03945	7.3
55.01860	4.0
55.05508	27.1
56.96567	3.0
57.07055	3.8
58.21798	2.3
67.05502	50.4
68.21306	2.1
69.07066	17.7
71.04971	3.2
71.57728	2.4
79.05487	73.0
81.03432	2.8
81.07055	44.8
83.04961	4.0
83.08624	10.9
84.09081	2.0
85.06546	3.1
91.04967	3.5
91.05482	39.7
93.07041	100.0
95.04956	14.2
95.08599	41.2
97.06479	2.6
97.10138	3.6
104.99298	3.7
105.07031	25.4
107.04959	12.0
107.08597	49.5
109.06500	8.9
109.10140	18.9
111.08115	2.3
117.06984	4.1
119.08568	23.2
121.06496	5.2
121.09325	4.0
121.10142	57.9
123.08052	9.9
123.11675	5.4
129.06998	5.8
131.08574	7.4
133.10143	15.9
135.08084	3.8
135.11681	33.0
137.09631	3.7
143.08569	3.5
145.10088	6.2
147.11684	9.9
149.09593	3.2
149.13255	11.0
157.10054	4.1
159.10197	3.0
159.11679	3.7
161.13260	6.1
163.14771	2.7
167.10735	2.3
171.11726	4.9
173.11797	3.7
185.13283	5.6
185.51973	2.3
203.14351	2.4
203.17902	2.4
217.19597	3.1
245.19044	3.4
263.05453	3.0
263.16647	7.1
263.20041	59.1
263.25726	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
52.31729	1.8
53.03929	7.2
55.01841	3.1
55.05507	29.4
56.96543	5.0
57.07069	3.7
67.05502	51.6
69.03417	3.9
69.07068	18.1
69.19423	1.9
70.32104	4.1
70.32500	4.4
71.04969	3.5
79.05490	76.9
81.03393	2.5
81.06578	3.6
81.07051	55.0
83.04974	6.6
83.08616	11.3
85.02866	2.2
85.06534	3.2
88.24333	1.6
89.82638	1.6
91.05470	34.3
93.07037	100.0
94.92248	1.6
95.04970	12.4
95.08601	59.1
97.02795	1.9
97.06517	4.7
97.10143	4.2
104.99252	5.9
105.04460	1.9
105.06384	2.7
105.07025	27.5
107.04942	2.6
107.08585	63.4
107.42422	1.7
108.08855	2.0
109.06490	6.8
109.10150	26.0
111.08087	2.2
117.07025	6.4
119.08575	21.2
121.10133	58.6
123.08073	3.0
123.11674	5.8
124.40442	1.9
125.09615	2.4
128.06218	2.2
129.07050	2.7
131.08562	8.1
133.10117	17.5
135.08057	4.3
135.11678	41.0
137.09590	5.8
143.08537	4.3
145.10114	4.3
147.11708	10.8
149.09569	2.6
149.13245	14.2
157.10129	3.0
159.11726	3.2
161.13242	8.0
161.14526	1.9
163.11069	3.6
163.14726	3.3
167.10712	2.0
171.11714	5.9
175.11238	1.9
185.13235	4.4
195.13864	2.2
199.14844	2.5
203.17865	2.5
227.17992	5.9
245.18887	8.4
245.22209	2.1
263.20068	70.9
263.22916	3.5
281.10605	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.16387	1.3
50.48953	1.4
50.82230	1.2
53.03928	4.5
55.01624	2.1
55.01869	29.7
55.05511	23.5
56.96544	4.9
57.03420	2.7
57.07071	3.9
65.03931	2.5
67.05500	51.0
69.03412	2.7
69.07066	22.4
69.58389	1.4
71.02838	1.7
71.03168	2.0
71.04976	7.4
74.06116	1.4
79.05490	38.6
81.03400	6.0
81.07049	37.7
81.74265	1.4
83.04976	36.1
83.08638	6.9
83.09056	1.4
85.06538	2.0
88.07590	1.6
91.05472	32.6
93.07037	48.1
95.04964	20.9
95.08600	46.1
97.06521	22.4
97.10156	3.2
99.04452	21.1
99.08107	2.4
103.47042	1.4
105.07026	24.3
107.04942	5.0
107.08584	31.5
109.02860	1.3
109.06517	8.0
109.10151	16.1
111.04435	100.0
111.08056	4.4
113.05972	2.0
117.07010	5.3
119.08572	19.8
121.06498	3.8
121.10135	30.7
123.04394	1.8
123.08053	11.1
123.11665	3.7
125.09605	6.6
128.06201	3.4
129.07025	4.3
131.08577	8.4
133.09117	2.1
133.10126	36.5
135.08044	8.1
135.11707	17.5
136.79053	1.4
137.09590	5.6
139.07512	1.7
143.08540	7.7
145.10164	3.9
147.08044	3.2
147.11674	11.5
149.09625	4.4
149.13274	7.3
151.11188	5.8
153.09097	22.7
157.10133	4.5
159.11691	3.3
161.09648	4.9
161.13280	5.3
163.11179	2.7
163.14822	2.5
165.09091	2.8
165.12767	2.1
167.10658	1.5
171.11674	5.2
173.13292	2.3
174.15456	1.3
174.29437	1.5
174.50523	1.3
175.11156	2.3
175.14825	2.5
179.10580	1.9
181.12241	3.5
185.13194	2.8
189.12660	1.7
193.12158	2.3
201.16331	1.6
203.14357	2.8
203.17952	3.1
207.11833	1.4
207.13857	3.6
221.13318	3.2
227.17967	6.2
233.13374	2.1
235.20511	1.8
243.78107	1.6
245.18996	8.0
248.15668	2.0
263.16522	10.8
263.20084	69.4
263.24033	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2008
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.68581	1.2
55.05511	13.1
57.03428	3.2
57.07064	4.0
67.05177	1.8
67.05511	30.5
69.07069	7.8
69.27896	4.2
69.28308	10.6
71.04996	1.5
71.06849	1.3
79.05495	13.7
81.03463	2.2
81.07063	14.4
83.04949	1.7
83.08629	2.1
85.06554	2.0
89.28780	1.3
90.04225	1.2
91.05476	7.8
93.07050	13.8
95.04987	6.8
95.08611	100.0
97.06539	4.6
104.99287	3.3
105.07030	9.2
107.04942	1.8
107.08607	12.6
109.06483	2.8
109.10146	5.3
119.08585	4.4
121.10131	4.9
123.08073	4.7
123.11712	1.9
131.08598	1.7
133.10123	4.4
135.11765	2.7
141.09151	2.1
147.11707	2.4
151.11121	1.4
159.10162	19.5
203.14334	1.4
245.22717	2.4
263.20108	15.0
263.23608	3.4
280.86087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03936	0.8
55.01861	1.7
55.05511	9.8
57.03436	3.1
57.07059	0.9
65.03939	0.9
67.05505	24.8
68.56097	0.5
69.07063	7.1
69.58273	3.8
71.04982	1.4
79.05058	1.0
79.05489	12.5
81.03450	1.1
81.07051	10.9
83.04969	1.3
83.08603	1.6
85.06547	1.1
91.05482	7.4
93.07043	10.5
93.35699	0.6
95.04967	4.5
95.08606	100.0
96.08942	1.0
97.06548	3.2
105.07034	5.5
107.04951	1.6
107.08579	9.4
109.06516	1.6
109.10142	2.8
117.07060	1.0
119.08585	1.7
121.06534	0.9
121.10117	1.7
122.89066	0.5
123.08056	5.1
123.11671	1.2
129.07021	0.9
131.08557	0.9
133.10146	2.2
135.08026	0.6
135.11716	1.2
137.09656	1.0
141.09154	2.2
145.10138	0.9
145.43044	0.6
147.11707	1.7
149.09647	1.3
157.10152	0.7
159.10165	22.0
159.11519	1.2
165.12790	0.7
233.10107	0.8
245.19057	0.7
247.11739	2.0
248.12402	1.4
263.05576	0.5
263.14737	8.3
263.20132	10.3
263.23718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.0
67.05499	1.5
69.03417	0.6
69.40645	6.1
70.06256	0.8
70.06601	12.2
70.06983	0.6
76.72854	0.6
81.03417	0.9
81.07066	1.3
82.02960	0.7
84.04465	0.6
91.05463	2.4
93.07037	1.7
94.06550	1.9
95.04945	0.9
95.08535	0.7
95.29118	0.7
98.97620	0.8
103.05457	4.0
105.07022	1.5
107.08566	0.7
109.02806	0.7
115.05437	0.9
116.07093	26.6
117.06959	1.1
119.08579	1.1
120.08108	35.7
130.06526	52.9
132.04454	20.9
133.06479	0.7
133.10115	0.7
133.67801	0.6
137.06030	0.6
146.05975	0.6
157.07611	100.0
158.06015	48.1
158.08047	2.3
159.06401	1.4
159.07886	0.8
159.09174	1.0
175.08676	56.0
176.09096	0.8
185.07358	0.7
186.05569	0.7
191.06996	0.8
199.08665	2.8
203.06386	1.2
203.08170	18.6
204.06537	1.1
217.09747	5.4
221.09210	20.9
221.11382	1.2
244.17908	0.6
245.09271	6.1
263.10294	1.6
263.14151	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03951	2.7
54.01644	1.1
55.01869	29.3
55.05510	7.6
57.03436	16.6
65.03928	3.1
67.05507	16.4
69.03426	2.9
69.07059	9.6
71.04984	2.3
79.05489	50.9
81.03394	2.2
81.07048	22.5
83.04991	2.2
83.08604	1.6
85.06528	6.0
91.05475	39.1
93.07040	25.6
94.79228	1.2
95.04963	8.0
95.08599	10.2
97.06551	3.7
98.21505	3.4
99.04433	2.1
99.08099	1.7
105.07029	24.8
107.04956	14.5
107.08588	35.8
109.06516	51.4
109.10124	4.0
110.06812	1.4
111.08062	1.7
115.05454	5.5
117.07011	11.1
119.04942	3.0
119.08568	10.1
121.06499	4.7
121.10128	11.8
123.04444	1.7
123.08063	5.2
123.11736	1.4
128.06218	4.2
129.07002	12.6
131.08556	14.8
133.06488	4.4
133.10132	6.2
135.08049	100.0
136.08356	1.6
137.05988	1.9
137.09581	1.6
143.08551	10.3
145.10117	10.5
147.08052	7.4
147.11678	3.9
148.08765	1.4
149.09627	18.3
149.13293	1.4
157.10184	6.4
159.08038	5.4
159.11673	3.2
161.09610	12.8
161.13272	3.9
167.10649	1.5
171.11736	8.2
173.09607	4.2
175.11205	2.1
181.10095	2.0
183.11674	2.4
185.13275	1.8
187.07539	1.5
187.11215	3.8
189.12738	14.5
191.10532	2.4
199.14845	4.6
203.10625	2.1
209.13211	2.6
217.15848	5.0
227.14285	6.7
245.15363	10.8
262.48334	1.2
263.16385	34.6
263.20050	4.0
263.23901	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50352	0.9
71.56738	1.6
73.54114	0.8
77.00907	5.5
82.99822	1.2
89.00890	1.3
95.01931	2.3
101.00865	9.5
112.89599	29.9
114.89330	15.1
119.01912	43.9
131.01918	5.0
133.03453	2.0
137.02953	11.2
139.02414	1.7
143.01886	14.4
145.03459	8.3
149.02896	1.2
155.01830	1.4
156.25218	1.0
157.03462	15.5
159.01366	1.1
161.02948	53.3
163.04497	1.7
167.01884	1.1
173.02974	4.0
175.04523	6.6
179.04012	2.7
184.04530	2.0
185.02989	6.1
185.04359	1.2
191.03998	3.7
203.04008	15.2
221.05038	14.1
239.06047	13.2
263.06100	100.0
263.92712	1.3
264.06351	2.2
281.07239	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82806	24.0
70.19135	100.0
85.02883	24.1
97.62560	23.6
116.27527	30.5
119.01927	31.7
161.02943	53.8
220.27852	23.5
237.75922	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50352	0.9
71.56738	1.6
73.54114	0.8
77.00907	5.5
82.99822	1.2
89.00890	1.3
95.01931	2.3
101.00865	9.5
112.89599	29.9
114.89330	15.1
119.01912	43.9
131.01918	5.0
133.03453	2.0
137.02953	11.2
139.02414	1.7
143.01886	14.4
145.03459	8.3
149.02896	1.2
155.01830	1.4
156.25218	1.0
157.03462	15.5
159.01366	1.1
161.02948	53.3
163.04497	1.7
167.01884	1.1
173.02974	4.0
175.04523	6.6
179.04012	2.7
184.04530	2.0
185.02989	6.1
185.04359	1.2
191.03998	3.7
203.04008	15.2
221.05038	14.1
239.06047	13.2
263.06100	100.0
263.92712	1.3
264.06351	2.2
281.07239	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35255	4.6
56.96559	5.1
60.89274	4.2
69.03400	5.0
71.31012	8.4
73.82216	4.7
85.02920	10.5
87.69599	5.0
95.07533	4.5
97.02940	5.2
98.97578	12.5
101.00882	14.9
119.01901	49.7
121.94631	6.2
128.98595	4.5
131.01901	15.3
137.02959	8.3
143.01874	30.2
148.29585	4.3
149.03008	5.7
152.05867	4.7
155.01881	11.2
157.03568	4.9
161.01019	4.3
161.01433	4.5
161.02959	100.0
172.26431	4.9
173.02928	32.2
185.02892	12.1
187.62485	4.1
191.03975	23.1
203.03983	19.0
260.72998	4.4
263.01706	10.8
263.06235	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05513	0.5
56.05010	0.4
56.96563	1.6
57.03428	1.5
58.06602	1.3
59.04710	0.5
59.05000	9.0
59.07384	0.7
60.04524	0.6
60.08160	7.9
69.03407	0.6
70.06584	1.7
71.56937	0.6
72.08151	0.7
79.05479	0.5
81.03452	0.7
81.07066	0.4
83.04962	0.8
84.04507	0.6
84.08143	1.4
84.65210	0.4
84.80816	0.4
85.02901	100.0
85.95741	0.4
86.03229	0.8
91.05476	0.6
93.07025	0.5
97.02882	0.9
98.97556	0.6
103.03915	1.4
107.04943	0.8
109.02898	0.6
112.07589	0.4
116.07057	0.5
116.98647	0.8
120.08109	1.5
121.06559	0.5
122.06023	0.4
124.07597	0.7
130.06491	1.1
134.99661	0.7
144.10173	3.3
145.04953	12.8
157.07639	0.6
161.02921	0.5
163.03949	1.1
171.09189	0.6
173.07167	0.6
177.00760	0.5
179.79756	0.5
185.08075	2.2
197.26332	0.4
200.11752	0.7
204.05505	0.4
243.17953	0.5
262.11841	1.3
262.16513	36.6
263.16913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53557	1.6
51.02387	1.8
53.03951	4.1
53.94481	1.7
55.05309	1.6
55.05517	16.2
57.03432	2.0
57.07069	4.9
57.16033	1.7
65.03914	2.8
67.05508	54.1
69.07068	14.6
69.43254	18.0
69.43596	3.0
71.05000	2.6
79.05495	73.6
79.26953	1.9
81.07063	57.9
83.08628	11.3
85.06540	4.1
91.05490	41.1
93.07050	100.0
95.04964	9.8
95.05480	1.8
95.08607	47.4
97.06517	4.9
97.10178	3.9
98.21520	2.2
99.08071	3.7
105.07033	25.0
107.08600	54.1
109.06497	2.8
109.10170	16.5
111.08082	6.3
117.07005	9.4
119.08577	17.1
121.10146	50.1
123.08070	2.2
123.11709	5.3
131.08582	21.8
133.10124	16.6
135.11703	41.3
137.09581	3.1
137.13286	2.8
139.11201	1.9
142.22360	1.9
145.10136	18.6
147.11667	16.3
149.13263	29.6
159.11702	13.6
161.13255	17.6
163.14851	24.4
173.13319	11.2
175.14835	7.7
177.16388	4.6
187.14812	9.2
201.16484	3.2
233.22800	2.5
243.21062	32.9
254.89442	1.9
261.22159	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05503	17.3
57.07062	6.1
66.36860	5.0
66.93354	6.4
67.05495	60.5
69.07057	21.4
74.24251	5.0
79.05496	48.4
81.07060	54.2
83.08602	10.1
91.05457	34.1
93.07039	84.6
95.08614	46.9
97.06530	10.4
100.42094	6.3
100.68518	5.6
105.07034	24.7
107.08587	52.6
109.10159	22.1
111.08086	9.8
115.05372	5.5
117.07025	11.2
119.08575	26.9
121.10119	51.2
123.11711	8.1
129.35823	5.7
131.08553	31.0
133.10123	18.8
135.11670	29.7
145.10091	30.4
147.11679	24.1
149.13266	20.8
159.11690	24.2
161.13248	28.1
163.14836	17.8
173.13274	19.2
177.12711	5.9
179.49507	5.7
186.35001	6.5
187.14821	13.0
201.16400	10.4
217.19518	6.5
243.21059	76.3
261.22116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
54.88951	1.8
55.05510	15.2
57.03444	3.3
57.07065	6.7
65.03930	2.3
67.05503	59.1
69.07071	18.9
69.90271	11.7
71.04999	2.2
79.05490	82.4
81.07056	61.7
83.04955	2.0
83.08609	8.9
83.13892	2.5
85.06544	3.4
91.05480	46.1
93.07037	100.0
95.04947	7.3
95.08602	48.6
97.06506	3.9
97.10169	5.4
99.08069	6.1
105.07033	30.4
107.08591	61.7
109.06517	3.6
109.10153	18.5
111.08084	4.5
117.07005	9.7
119.08575	21.1
121.10138	58.9
123.11694	5.6
123.94697	2.1
131.08539	22.6
133.10129	18.1
135.11693	48.8
137.09636	4.1
145.10141	21.4
147.11661	15.6
149.13254	37.2
159.11707	13.5
161.13255	14.8
163.14821	23.8
165.12711	2.3
173.13252	10.8
175.12889	1.9
175.14815	8.9
177.16374	7.7
179.14185	3.0
187.14780	10.7
201.16467	3.9
219.17569	2.2
242.21249	2.1
243.21065	40.0
261.22131	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03942	3.8
55.05508	17.7
57.03424	2.8
57.07059	6.1
59.92947	2.1
67.05505	56.6
69.07069	17.4
69.58840	4.3
69.59258	10.5
71.05006	2.4
79.05489	84.2
81.06587	3.7
81.07056	56.4
83.08604	10.3
85.06532	5.1
91.05476	43.0
93.07039	100.0
94.31697	1.9
95.04967	9.9
95.08606	45.9
96.00153	1.9
96.10603	1.9
97.06524	5.7
97.10147	2.8
99.08070	3.9
105.07027	27.0
107.08591	65.4
109.06509	3.8
109.10143	19.0
111.08065	2.6
117.07023	9.5
119.08563	18.3
121.10143	51.0
123.11689	4.4
124.91833	2.1
125.12024	2.0
131.08554	24.1
133.10117	17.8
135.10692	2.7
135.11684	39.2
145.10129	14.5
147.11671	16.8
149.13254	37.0
154.53319	2.1
159.11716	12.4
161.13235	15.8
163.14816	20.8
173.13202	12.3
175.14816	6.1
177.16402	3.7
179.14325	2.2
187.14810	6.6
201.16292	4.6
212.13448	1.8
212.24251	1.8
243.21069	39.4
261.22131	91.7
262.22336	3.4
268.48343	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.05517	17.1
57.03420	2.6
57.07060	6.0
59.07248	2.1
67.05502	53.0
69.07066	19.6
71.04978	3.4
79.05487	78.1
81.07054	60.1
83.08597	8.3
85.06526	4.3
91.05475	42.1
93.07041	94.1
95.04973	10.0
95.08605	50.4
97.06509	7.0
97.10134	4.1
98.21519	3.9
99.08077	5.8
105.07028	28.4
107.08585	58.5
109.06505	2.5
109.10149	17.8
111.08073	5.4
117.06995	10.8
119.08588	23.5
119.73631	2.2
121.09327	4.1
121.10141	55.8
123.08047	3.0
123.11679	6.0
130.14255	2.0
131.08537	19.7
133.10110	18.4
135.08055	2.5
135.11690	44.9
137.09525	2.5
145.10127	21.8
147.11693	16.6
149.13252	31.7
159.11673	13.7
161.13232	13.2
163.14816	22.3
165.45482	2.1
173.13245	12.7
175.14809	6.9
177.16341	7.5
179.14305	4.0
187.14824	9.0
201.16403	3.4
215.17996	2.5
234.64001	2.5
243.21082	33.6
261.22128	100.0
262.14395	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	6.4
55.05510	21.1
57.07071	4.4
67.05502	54.6
69.07066	16.1
70.42497	6.6
71.04986	2.3
79.05491	78.4
81.06584	3.4
81.07051	62.8
83.08608	9.4
85.06541	3.7
85.19457	1.6
85.95875	1.6
89.73587	1.6
91.05472	38.3
93.07039	100.0
95.04955	8.5
95.08600	48.2
97.06530	5.5
97.10177	1.9
99.08066	4.8
105.04500	2.4
105.07031	27.5
107.08590	62.5
109.06506	2.2
109.10153	19.3
111.08048	5.2
113.09570	2.5
117.07017	9.3
119.08583	21.9
121.10137	49.7
123.08020	2.2
123.11707	5.8
131.08559	20.1
133.10136	17.7
135.10706	2.4
135.11690	39.5
137.09541	2.3
137.13257	2.3
143.08441	1.6
145.10114	20.5
147.11681	13.6
149.13245	32.9
151.11145	2.6
159.11681	12.3
161.13252	13.6
163.14804	26.2
165.12759	2.3
173.13220	12.9
175.14828	6.3
177.16342	3.9
187.14841	13.1
197.06897	1.7
201.16417	3.8
205.15852	2.2
215.18036	2.1
227.31104	1.8
233.22578	1.8
243.21097	34.1
243.23375	1.3
261.22116	93.2
262.22531	2.3
282.83893	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05502	12.5
66.93614	4.4
67.05506	49.9
69.07068	19.6
69.29735	45.5
72.33939	3.9
79.05486	44.5
79.94168	3.7
81.07059	55.4
83.08625	8.0
85.06528	4.7
91.05473	40.1
93.07037	74.5
93.82631	3.7
95.04967	9.5
95.08595	45.9
97.06514	5.4
97.10151	6.2
105.07035	32.5
107.08566	37.9
109.10159	21.7
117.07006	9.2
119.08562	21.9
121.10153	41.9
131.08569	27.8
133.10130	24.8
135.11671	32.8
144.10252	3.8
145.10120	25.5
147.11664	24.5
149.09641	7.9
149.13272	21.2
159.11659	22.9
161.13275	11.2
163.14815	22.0
173.13213	20.3
175.14874	9.1
177.16293	4.5
178.81348	4.1
187.14873	11.8
201.16396	7.6
203.18002	4.6
215.17937	10.3
217.19418	6.4
231.11679	5.7
242.32726	4.1
243.21078	64.3
246.13982	6.9
261.09088	6.3
261.13190	5.4
261.16238	8.7
261.18866	7.3
261.22113	100.0
283.58585	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03944	4.2
54.13868	2.1
55.05507	22.8
57.07060	6.6
66.20023	2.6
67.05503	62.1
67.05875	3.7
69.07071	16.7
70.11127	9.5
71.04980	3.0
71.08636	2.3
71.29725	2.3
74.65418	2.0
79.05489	74.0
81.07048	67.0
81.07524	4.2
83.08632	11.2
85.06541	6.6
91.05477	43.9
93.07037	100.0
95.04953	9.9
95.08601	57.7
97.06521	3.5
97.10159	4.5
98.20808	2.9
99.08084	4.3
105.04532	2.3
105.07029	27.9
107.08586	62.8
109.06507	3.8
109.10150	23.7
111.08105	5.7
117.07009	7.3
119.08571	23.8
121.10137	58.6
121.11020	2.8
123.11684	4.4
131.08560	22.4
133.10130	18.3
135.11691	43.6
137.09586	4.0
145.10100	22.8
147.11656	19.9
149.13248	33.1
159.11717	11.3
161.13234	17.9
163.14822	32.1
165.12714	3.1
171.98277	2.5
173.13287	13.5
175.14809	3.8
177.16335	5.7
179.14319	2.9
187.14832	10.2
189.28804	2.3
198.87560	2.7
201.16388	4.3
215.17912	2.8
243.21065	37.6
261.22137	99.4
271.78464	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1846
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03930	2.9
55.01862	3.2
55.05506	13.8
56.96549	3.5
57.03421	1.5
57.07049	1.8
58.14108	1.1
65.03928	1.8
67.05502	19.1
69.07067	14.9
70.13253	1.0
71.04961	4.2
71.58293	1.3
79.05493	18.8
81.06602	1.4
81.07053	22.3
83.04953	2.4
83.08622	10.9
85.06547	1.5
89.03899	1.2
91.05478	53.6
93.07042	29.0
93.84736	1.2
95.04972	7.1
95.08599	16.3
97.06507	2.2
97.10162	2.0
101.68646	1.0
103.05458	2.4
103.18227	1.2
105.07029	76.4
107.04946	3.4
107.08592	12.7
109.06499	3.8
109.10161	6.3
111.08053	2.5
116.65613	1.1
117.07004	14.7
118.08649	1.3
119.08582	50.4
121.00443	7.9
121.06475	1.6
121.10074	6.0
123.08037	2.5
123.11720	2.5
125.09633	2.4
129.06989	3.1
130.07854	1.3
131.08571	20.4
132.09369	1.4
133.10127	58.6
135.08041	3.8
135.11684	3.5
137.09622	1.6
140.84131	1.2
141.07005	2.3
143.08565	6.7
145.10123	32.7
147.07965	2.2
147.10646	1.7
147.11694	17.8
149.05925	1.2
149.09587	4.5
149.13307	1.6
151.11235	1.4
155.08521	1.4
157.10115	4.9
159.08104	1.8
159.11661	9.6
161.09573	2.5
161.13254	2.5
163.11232	1.5
169.10123	2.7
171.11650	2.8
172.01044	1.5
173.09616	1.7
173.13193	2.4
175.14778	1.7
177.00272	2.4
177.16228	1.3
183.11670	4.4
185.13275	2.6
187.11195	1.9
187.14839	1.7
196.52513	1.3
197.13330	1.7
199.01501	3.6
201.12889	1.3
201.16373	3.7
203.14279	4.0
205.12245	1.5
208.02061	1.2
215.14383	1.7
215.18005	2.0
217.02570	2.7
219.17424	2.6
225.16371	5.9
228.53290	1.1
230.03490	1.9
233.18839	1.5
243.17395	9.4
243.21089	2.8
249.02924	1.4
261.03876	1.6
261.18497	100.0
261.21954	4.3
261.25430	6.5
262.18777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03939	1.8
55.01852	3.3
55.05271	1.3
55.05511	17.4
56.96560	1.6
57.03416	0.9
57.07067	1.1
59.59715	0.7
62.92636	0.7
65.03902	1.7
67.05502	15.0
67.39867	0.7
67.72157	0.7
69.03415	0.8
69.07064	15.9
71.04985	3.6
71.58361	0.9
79.05058	1.4
79.05489	16.6
81.03413	0.9
81.07054	19.2
83.04964	1.8
83.08618	11.0
85.06519	1.7
87.08075	0.9
91.05479	65.4
92.05803	1.3
93.06476	1.4
93.07043	27.7
95.04973	5.5
95.08605	14.9
97.06494	3.5
97.10149	2.4
103.05456	2.0
105.03392	0.9
105.07025	88.1
106.07391	1.5
107.04915	1.8
107.08587	12.3
109.06508	2.4
109.10145	3.4
111.08058	3.3
115.05436	2.2
117.07015	15.4
119.08576	52.5
121.00478	3.1
121.06490	2.0
121.10199	5.5
123.08047	1.0
123.11720	1.4
129.07014	4.3
130.07790	1.3
131.08565	21.6
132.09303	1.1
133.06422	1.3
133.10127	63.4
135.08075	4.8
135.11708	3.7
137.09599	1.2
141.06958	1.7
143.01778	1.0
143.08562	5.3
145.06425	1.0
145.10118	34.1
146.10767	0.8
147.08035	2.3
147.11679	19.3
149.02344	0.9
149.09599	2.9
149.13246	1.6
151.11111	0.8
155.08537	2.0
156.09389	1.0
157.10168	5.0
159.08060	0.9
159.11673	10.3
160.12492	0.8
161.09595	1.9
161.13252	2.4
163.11183	1.4
163.14780	1.0
165.09077	0.9
169.10126	3.2
171.11678	2.7
173.13272	2.7
175.11166	1.4
177.00287	1.6
181.12206	0.9
183.11751	4.2
185.13271	3.5
187.11110	1.3
197.13194	1.2
199.01604	1.1
199.14871	1.2
201.16350	2.9
203.14272	2.2
205.12251	1.1
208.02103	0.8
215.14316	1.7
215.17860	0.8
217.02550	2.7
219.13794	1.3
219.17422	1.5
225.16418	8.2
230.03166	1.0
232.16653	0.8
233.15315	1.3
243.17468	10.8
243.19962	0.9
243.21031	1.3
261.03888	0.9
261.18491	100.0
261.25595	3.2
262.18924	2.5
262.23639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10818	12.7
55.05512	100.0
56.96563	42.4
57.07066	16.1
57.55249	11.1
59.04986	11.4
63.42389	11.7
67.05507	15.5
69.03406	21.2
71.57339	12.2
73.02919	11.6
79.05476	20.0
81.03412	26.7
81.07055	62.3
83.08598	36.2
84.04488	41.0
84.08134	23.9
85.02896	62.8
86.09705	83.0
98.97552	12.2
102.09219	31.2
114.05495	12.4
115.05375	16.0
116.98578	16.3
127.03917	16.6
130.06485	34.6
132.10178	19.1
133.05138	12.5
146.99678	20.6
158.06004	35.8
188.93509	12.3
198.11092	15.2
237.02808	14.0
237.12126	15.3
259.92526	11.7
261.18130	13.2
261.22086	15.9
279.03903	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79984	1.5
54.97672	1.3
56.96561	19.7
57.03441	3.2
57.83811	1.8
61.02924	1.9
64.40591	1.7
69.03422	2.1
71.56847	2.2
73.02907	2.3
81.03410	1.8
84.04488	4.3
84.08144	13.1
84.96027	2.6
85.02895	4.5
85.08473	3.7
86.09708	14.9
98.97576	18.8
101.00882	3.6
110.97590	4.7
113.03519	4.0
115.02425	4.2
116.98615	9.4
117.03915	1.6
119.01903	8.9
121.62343	1.7
127.03925	1.5
128.98610	6.7
129.10202	2.7
130.04984	3.3
131.00270	1.9
131.01894	12.7
133.03447	4.8
134.99640	6.2
135.06761	3.4
140.98587	1.7
142.13680	1.5
143.01871	2.3
145.03470	4.1
146.99643	6.7
148.03825	3.8
148.06003	2.6
149.02956	2.7
155.01903	5.6
157.04495	3.2
158.99648	4.9
159.05034	5.6
161.01190	3.1
161.02940	4.7
163.04561	2.2
169.01102	3.0
170.99654	2.0
171.02640	2.9
171.05029	7.1
171.63773	1.7
173.01514	1.6
173.02930	7.9
177.00694	3.4
177.06107	3.7
187.00142	2.5
189.00737	5.2
189.06096	6.2
201.00713	2.0
201.03690	2.4
201.06087	2.4
203.04114	2.1
213.06136	1.8
213.94955	1.6
215.98448	3.8
219.01759	7.4
221.05035	15.0
229.03198	26.8
237.02879	11.0
250.01741	1.5
261.03293	2.4
261.05823	63.5
261.09424	100.0
261.20029	2.3
262.09726	1.9
279.04050	2.4
279.09073	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16140	0.7
56.96570	4.0
60.95841	0.8
66.81997	0.6
71.13071	0.9
71.13403	1.2
80.45448	0.7
98.97585	7.7
101.00890	1.2
102.96865	1.1
116.98614	10.0
117.86450	0.8
119.01926	9.4
120.97896	1.3
134.99648	7.6
137.02925	3.4
153.00763	1.9
158.99699	1.6
161.03036	0.9
177.00945	16.7
178.01045	1.6
179.00719	2.3
180.00797	0.8
189.00761	0.9
198.25893	0.8
201.00858	1.0
217.04082	2.2
219.02005	25.6
220.02118	1.7
221.01750	5.9
222.01756	1.1
225.00946	2.1
237.02733	1.3
238.12053	0.8
243.01967	6.7
261.03049	100.0
262.03171	5.1
279.00378	6.0
284.04724	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74838	3.1
55.05504	12.8
56.79975	2.9
57.03428	15.5
57.07072	10.1
62.06083	5.7
67.05503	23.6
69.07066	16.3
69.36797	33.7
70.75033	3.3
71.08627	3.6
72.04505	5.5
79.05510	19.3
81.07055	20.1
83.08587	5.3
91.05479	50.0
93.07040	15.9
95.08611	22.5
97.06542	6.4
97.10161	4.3
99.08007	4.7
100.53052	3.4
105.07024	62.2
107.08592	12.6
109.10130	7.9
115.05461	8.0
117.07013	60.8
119.08581	44.2
121.10123	19.7
128.06247	11.5
129.06990	22.4
130.07738	6.3
131.08560	56.8
133.10126	58.7
135.11668	8.2
142.07756	5.1
143.08560	24.6
145.10118	59.7
146.10674	3.1
147.11667	37.7
149.09578	3.6
157.10120	19.8
159.10448	6.4
159.11691	81.8
161.09709	4.4
161.13242	16.7
163.11192	6.5
171.11671	38.5
173.13255	56.9
175.14812	5.6
177.12712	4.6
185.13235	32.1
187.14819	46.3
199.14816	20.1
201.16376	5.5
201.47603	3.2
204.19299	3.6
230.24677	3.4
231.25082	24.4
241.19519	43.0
241.23485	8.4
259.17307	7.9
259.20560	100.0
259.24600	26.6
259.28046	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74838	3.1
55.05504	12.8
56.79975	2.9
57.03428	15.5
57.07072	10.1
62.06083	5.7
67.05503	23.6
69.07066	16.3
69.36797	33.7
70.75033	3.3
71.08627	3.6
72.04505	5.5
79.05510	19.3
81.07055	20.1
83.08587	5.3
91.05479	50.0
93.07040	15.9
95.08611	22.5
97.06542	6.4
97.10161	4.3
99.08007	4.7
100.53052	3.4
105.07024	62.2
107.08592	12.6
109.10130	7.9
115.05461	8.0
117.07013	60.8
119.08581	44.2
121.10123	19.7
128.06247	11.5
129.06990	22.4
130.07738	6.3
131.08560	56.8
133.10126	58.7
135.11668	8.2
142.07756	5.1
143.08560	24.6
145.10118	59.7
146.10674	3.1
147.11667	37.7
149.09578	3.6
157.10120	19.8
159.10448	6.4
159.11691	81.8
161.09709	4.4
161.13242	16.7
163.11192	6.5
171.11671	38.5
173.13255	56.9
175.14812	5.6
177.12712	4.6
185.13235	32.1
187.14819	46.3
199.14816	20.1
201.16376	5.5
201.47603	3.2
204.19299	3.6
230.24677	3.4
231.25082	24.4
241.19519	43.0
241.23485	8.4
259.17307	7.9
259.20560	100.0
259.24600	26.6
259.28046	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05505	19.4
57.07078	12.3
58.71424	2.7
67.05502	24.3
69.07068	13.8
69.92591	16.2
71.04990	2.5
75.08977	2.3
79.05489	26.5
81.07063	25.1
83.08598	8.7
91.05476	65.3
92.38870	2.6
93.07037	31.3
95.04948	6.6
95.08599	21.8
97.02884	3.1
97.06545	5.1
99.08057	2.9
103.05457	4.1
105.03403	20.6
105.07030	90.9
106.41657	2.3
107.08585	14.3
109.10144	6.6
115.05454	4.1
117.07019	63.3
119.08578	59.5
121.10128	13.7
123.11657	2.7
128.06219	9.2
129.07002	27.9
131.08568	58.3
132.73152	2.6
133.03448	2.6
133.10124	38.9
135.11678	7.8
142.07770	6.0
143.08566	36.2
145.10109	36.0
147.11685	38.4
156.09344	3.5
157.10136	21.7
159.11687	66.3
161.13252	25.7
163.14795	2.6
171.11710	27.1
173.13251	43.4
175.14804	10.3
181.06520	2.8
185.13284	33.5
189.12743	2.7
199.14798	20.0
203.14397	3.1
213.16330	3.9
231.20953	2.4
241.19514	36.7
259.11139	3.1
259.17538	5.2
259.20563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.52753	1.6
53.03927	2.4
55.01860	3.7
55.05509	15.5
57.03419	2.0
57.07058	7.2
58.99547	1.7
59.67235	1.6
67.05502	30.0
69.07075	10.8
69.60474	3.2
69.60876	11.6
71.04964	1.6
71.08632	3.7
79.05495	21.2
81.06660	2.1
81.07061	27.2
83.04935	2.4
83.08595	5.4
85.06526	2.7
91.05475	41.5
93.07039	23.9
95.04959	4.5
95.08603	22.7
95.83063	1.7
97.06503	9.2
98.21489	2.4
101.05974	2.6
105.05400	1.5
105.07030	53.7
107.04918	3.1
107.07958	1.4
107.08573	10.8
109.06515	4.7
109.10156	8.1
111.08083	2.8
115.05431	4.7
117.07002	19.3
119.08581	26.5
121.06509	4.8
121.10154	10.3
123.08041	1.7
123.11598	2.2
128.06194	6.7
129.07010	22.8
131.08556	25.7
133.06482	8.6
133.10130	22.3
135.08040	3.5
135.11684	7.3
137.09631	2.6
141.06998	1.9
142.07785	3.6
143.08562	21.7
145.10126	17.3
146.48251	1.7
147.08044	9.5
147.11681	20.7
149.09615	2.0
149.13229	6.4
156.09341	2.7
157.10121	21.4
159.11708	11.4
161.09613	4.0
161.13275	18.5
163.11169	3.8
163.14847	2.2
171.11676	24.4
173.13258	11.6
175.11208	6.6
175.14821	7.2
177.12814	2.7
185.13248	14.2
187.14853	2.1
189.12770	10.8
199.14825	11.3
201.16362	2.2
203.14319	2.9
213.16393	4.1
215.17969	4.8
231.17474	2.5
231.21071	11.3
241.19498	30.6
259.20560	100.0
260.20792	2.0
283.27634	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03949	1.5
55.01870	1.5
55.05508	11.8
57.03419	1.8
57.07080	4.2
59.77784	0.7
60.65925	0.6
65.03922	1.5
67.05505	27.3
69.03402	0.7
69.06720	1.0
69.07065	10.8
71.04989	1.7
71.08621	0.7
71.32364	2.0
76.18823	0.6
79.05492	24.9
81.03369	0.7
81.07056	26.8
83.04967	1.1
83.08604	3.1
85.06532	2.6
91.05479	54.6
93.07044	22.2
95.04956	3.1
95.08601	20.0
97.06528	4.9
97.10175	1.7
99.08077	2.0
103.05455	2.3
105.07027	68.5
107.04942	2.2
107.08596	12.0
108.38811	0.7
109.06514	1.7
109.10152	6.1
111.08080	2.2
113.09620	0.8
115.05434	1.3
116.06247	0.8
117.06222	1.2
117.07008	19.1
119.08578	50.7
121.06544	1.1
121.10139	9.6
123.08068	0.9
123.11726	1.0
125.09547	0.7
128.06207	2.8
129.07005	11.4
130.07761	1.9
131.08560	24.5
133.10127	39.1
135.08037	2.3
135.11685	6.5
137.09596	0.9
137.13211	0.7
142.07813	0.9
143.08549	12.1
145.10124	22.2
146.10770	0.7
147.07954	1.5
147.11690	32.3
149.09644	2.1
149.13283	4.0
156.09352	1.0
157.10133	11.8
159.11691	19.7
160.12378	0.8
161.09592	2.4
161.13257	24.8
163.03888	1.1
163.11153	1.6
163.14813	1.4
165.12723	0.7
167.32811	0.7
169.10202	0.9
171.11691	15.5
173.11943	1.2
173.13275	13.3
174.13824	0.9
175.11203	2.3
175.14813	15.5
177.12769	1.6
185.13261	13.2
187.14804	2.9
189.12741	2.3
189.16396	0.8
191.14342	0.9
199.14810	6.5
201.16394	1.5
203.14255	1.0
213.16327	2.5
215.18024	2.0
217.15787	1.1
231.21075	2.6
241.19528	28.5
259.06128	0.8
259.20566	100.0
260.21017	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05509	10.0
67.05499	10.2
69.07068	38.3
70.01363	15.6
71.05003	23.7
71.52937	3.7
79.05478	5.7
79.06869	3.5
79.74747	4.0
81.07044	13.6
81.07780	4.2
83.04980	4.8
83.08613	9.8
85.06528	26.5
91.05468	12.1
93.07045	17.5
95.08588	23.0
97.06543	7.7
105.03378	9.0
105.06394	3.6
105.07003	24.7
107.08587	21.3
109.06505	10.9
109.10155	14.8
111.08077	8.5
119.08567	55.4
121.10152	20.6
123.11732	31.2
131.08572	18.9
133.10115	36.5
135.08046	6.8
135.11681	6.7
143.08585	7.2
145.10117	39.8
147.11688	19.3
149.13249	4.6
157.10143	14.6
159.11690	36.7
160.12488	5.3
161.13261	39.6
171.11674	23.5
173.13293	11.3
175.11218	5.6
175.14819	87.1
177.12825	5.5
177.16362	4.8
185.13284	17.7
189.12801	4.5
189.16359	5.3
201.16364	30.9
203.14319	8.6
213.75310	4.2
217.19550	4.5
241.19594	18.5
259.20544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03941	3.2
55.05508	20.3
57.07078	5.1
67.05500	25.1
68.77953	2.8
69.07059	13.6
69.78276	4.8
69.78682	14.0
71.04976	3.0
79.05488	27.9
81.07050	27.0
83.08617	6.4
85.06519	3.5
91.05478	62.8
93.07043	29.3
95.04961	6.7
95.08585	19.2
95.10073	2.8
95.53104	2.7
97.06521	2.5
97.10177	3.7
98.21401	4.4
99.08023	3.0
105.03400	13.1
105.06313	5.0
105.07027	100.0
107.08571	14.9
109.10134	7.4
110.06228	2.7
115.05458	5.3
117.07015	56.3
119.08575	58.8
119.09363	4.8
120.15567	2.7
121.10150	12.9
128.06253	8.6
129.07002	30.8
130.07867	4.6
131.08577	51.5
133.10112	48.1
135.08089	2.9
135.11726	5.0
142.07809	5.8
143.08565	30.1
145.10118	48.6
147.11684	36.4
149.13295	5.4
157.10121	17.8
159.11690	59.7
159.13011	3.1
161.13272	27.7
163.11160	3.4
167.41586	3.2
171.11659	25.9
173.13269	41.2
175.11230	3.3
175.14861	10.2
185.13268	26.6
187.14902	3.8
199.14771	17.8
213.16519	5.1
215.17973	4.5
231.21092	4.9
241.19463	36.6
245.81509	2.8
259.20572	92.4
260.20715	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.05504	13.5
56.11628	3.3
60.94308	3.6
67.05491	15.2
69.07059	12.0
71.58951	5.5
72.74519	3.3
79.05492	18.5
80.60304	3.9
81.07056	38.9
81.33002	4.4
85.61195	4.4
91.05479	23.8
93.07039	13.4
95.05000	8.4
95.08595	16.7
101.03170	3.8
105.03386	17.6
105.07053	26.5
107.08579	13.1
109.10136	9.1
113.54597	3.7
117.07019	48.4
119.08583	58.2
121.10143	11.5
123.11707	56.9
125.94769	3.8
128.06186	4.8
129.06985	21.4
131.08571	35.7
133.10094	22.2
135.08035	8.3
137.09602	7.8
143.08545	13.9
145.10120	62.6
147.11714	22.3
153.07028	6.4
157.10112	17.6
159.11681	60.4
161.13211	6.9
165.32748	3.5
171.11723	19.1
173.13219	14.4
175.14806	8.6
185.13240	22.1
199.14862	7.2
201.16338	9.3
213.16351	5.1
241.19528	13.1
259.17484	5.7
259.20578	100.0
260.20822	6.7
267.32068	4.5
267.63608	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03932	1.7
55.05309	1.4
55.05511	17.3
56.96557	2.3
57.03417	3.5
57.07067	6.6
67.05503	25.4
69.07068	13.7
71.04974	2.5
71.08624	7.1
71.42398	2.7
79.05486	27.1
79.89371	1.5
81.07050	29.6
83.08599	4.6
85.06521	3.0
91.05476	57.9
93.07043	26.5
95.04961	5.6
95.08613	23.1
97.06528	6.9
99.08098	7.8
99.66056	1.7
103.05455	2.8
105.07029	86.7
107.08581	15.4
109.06518	2.7
109.10146	5.1
111.08074	2.6
115.05393	3.7
117.06230	2.0
117.07019	28.2
119.08575	41.9
121.06499	2.1
121.10102	11.1
123.08046	2.0
123.11677	1.7
125.09629	2.1
128.06238	4.0
129.06998	19.8
130.07726	2.4
131.08568	29.6
133.06461	3.4
133.10126	35.6
135.08043	4.1
135.11661	5.5
142.07799	3.4
143.08556	29.8
145.10129	34.1
146.10461	1.7
147.08031	4.2
147.11684	41.2
149.09686	2.0
149.13264	4.4
151.11223	2.4
151.46979	1.6
151.62746	1.6
157.10117	16.5
159.11678	19.0
161.09560	1.9
161.13266	29.7
163.03842	1.7
165.45189	1.5
171.11694	20.1
173.13242	20.0
175.14828	9.4
185.13252	20.3
187.14885	2.6
189.12718	6.1
191.14412	1.9
199.14803	12.3
207.73938	1.7
213.16426	4.4
215.07011	2.8
215.18013	3.2
231.21094	4.5
241.19501	31.5
259.20572	100.0
259.28296	3.1
267.30487	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0599
Annotation	Alternariol
Peak:m/z	Relative Intensity
55.01865	4.4
55.05506	3.8
56.96559	6.0
57.14847	2.1
67.05479	3.4
69.03423	6.4
71.57067	3.0
71.57426	3.8
73.06546	3.0
79.05499	3.9
81.03415	2.9
84.04494	2.4
84.08131	3.1
85.02897	4.5
89.03903	9.2
91.05526	5.2
95.01316	6.3
95.04948	4.5
95.08588	2.4
97.02881	4.8
101.06041	3.1
105.07006	3.6
107.04946	3.0
115.05445	15.6
117.03364	7.3
117.07038	2.1
119.08562	2.5
121.02835	2.3
123.04337	2.4
123.46979	2.1
127.03912	2.4
128.06215	5.6
129.05446	2.1
129.07001	16.4
131.04889	3.5
133.06476	3.1
135.04419	48.4
138.05521	10.7
139.03873	2.4
139.05441	10.7
141.07001	13.8
143.04903	7.9
147.04376	5.9
147.08076	2.5
149.02351	6.1
157.06442	16.3
160.02768	2.5
160.05267	2.8
161.05972	44.5
163.03906	15.8
167.04953	6.1
169.06506	10.3
171.04434	8.2
171.08095	2.5
173.05997	3.8
175.07562	9.5
185.05978	30.2
187.07555	9.8
189.05455	23.2
195.04453	4.9
197.05988	5.4
199.07446	3.0
200.04636	10.9
201.05457	6.1
203.07054	14.0
213.05466	100.0
214.05846	2.4
215.07007	10.3
217.05014	19.8
223.03912	3.6
231.06519	83.3
241.04915	9.5
244.79904	2.4
259.04092	12.7
259.06467	24.2
259.09897	4.1
259.20361	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07454	1.0
53.03937	1.3
55.01866	6.4
55.05502	3.0
57.03415	2.3
67.05492	4.7
69.03417	1.6
69.07066	15.0
69.58869	6.8
71.22230	0.8
79.05486	16.1
81.07048	1.8
83.08575	1.1
83.57616	0.8
89.03907	9.2
89.06102	0.9
91.05457	2.7
93.07017	1.9
95.04952	3.0
95.08593	1.1
97.06524	100.0
97.10133	0.9
103.05441	1.1
105.03369	1.5
105.07006	2.4
107.04943	2.1
107.08596	0.9
109.10121	1.2
117.03389	6.2
117.07000	0.9
119.04942	1.2
119.08547	1.7
128.06174	1.2
129.06975	1.0
131.04909	0.9
131.08484	1.3
133.02867	7.0
133.10153	1.6
134.03644	0.8
135.04417	10.5
145.02841	8.1
145.10178	0.9
147.04353	1.0
157.04224	0.8
159.04395	6.3
161.02324	21.6
163.03894	45.1
173.02335	55.3
173.13171	0.8
185.05937	2.4
186.03094	2.1
187.03880	1.3
187.07565	1.3
189.05420	1.1
193.48764	0.9
197.06049	1.3
215.07019	51.1
241.19449	1.2
259.09637	15.1
259.17126	1.6
259.20483	2.5
259.24310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
53.03940	14.3
55.01867	19.0
55.05511	9.9
57.03425	8.4
67.05524	8.6
69.03436	4.4
69.07059	10.1
70.38179	13.4
71.01349	5.4
71.05014	8.3
75.55515	3.5
79.05475	13.7
81.07045	11.8
85.02915	4.6
85.06564	3.6
89.03905	4.9
91.05476	25.6
93.07044	12.4
95.01304	4.9
95.04970	7.4
95.08605	13.0
97.02921	4.8
97.06535	47.4
99.22150	3.5
105.07039	17.7
107.04956	35.2
107.08603	10.2
109.02892	17.7
109.10168	5.8
115.05443	19.9
117.06995	5.1
119.04963	9.3
119.08575	9.8
121.06487	5.8
121.10162	5.7
123.04466	5.9
124.07612	3.1
128.06207	10.2
129.06985	11.3
130.06573	3.6
130.07704	3.6
131.04915	8.4
131.08578	17.3
133.02885	4.3
133.06525	5.7
133.10126	7.9
135.04424	10.9
137.05969	4.0
141.07008	33.4
141.87640	3.4
143.04889	4.0
143.08553	13.4
144.05728	6.5
145.06395	8.1
145.10083	5.6
147.04430	19.2
149.06009	9.6
152.06169	7.2
153.07045	4.1
157.06451	8.5
157.10060	8.8
158.09738	4.6
159.04414	9.1
159.08017	12.5
160.05231	38.2
160.09958	4.6
161.02332	12.9
161.06000	67.7
163.03885	24.0
163.14822	5.4
165.07033	5.6
167.08549	11.4
169.06500	40.3
171.08075	7.3
173.02362	17.2
173.05994	17.0
175.03918	20.3
175.07440	4.1
175.14679	4.8
181.06415	4.3
183.08081	3.7
184.05190	5.7
185.05986	12.8
185.09656	7.5
186.09134	4.0
187.07443	24.2
189.05453	10.2
189.09076	56.0
195.08087	20.9
197.05978	27.4
198.06834	11.3
199.07532	4.6
200.04716	33.5
201.05438	6.8
209.65660	3.7
213.05516	13.3
213.09087	23.0
214.08556	5.8
215.07028	100.0
215.10483	3.6
217.08630	16.4
223.07356	5.6
231.10150	7.3
241.08522	17.7
241.19528	7.5
259.05768	6.0
259.06778	7.1
259.09540	89.3
259.13376	7.3
259.20514	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	2.7
53.24202	2.8
55.01839	3.8
55.05478	5.6
56.05014	4.7
56.96566	44.7
57.03416	4.3
60.20489	3.2
61.02912	7.7
63.00400	2.7
64.07040	2.8
67.05471	5.5
68.05022	4.4
69.03432	14.8
70.06593	21.0
71.04967	3.6
71.56992	5.1
72.08136	6.3
73.02882	8.3
73.06532	4.3
74.00645	3.5
74.02386	2.6
77.54931	3.0
79.05481	3.9
81.03397	7.5
81.40879	2.7
84.04469	10.3
84.08155	21.7
85.02905	14.1
85.35292	3.0
86.09666	11.0
87.10017	3.3
91.05450	2.9
97.02895	19.8
98.06042	3.4
98.97581	19.6
98.98087	3.8
100.02219	39.6
100.07605	3.8
101.05950	3.7
105.06977	3.5
105.11043	6.1
107.04906	5.2
110.07103	3.9
114.05502	3.7
115.05388	4.8
116.07085	5.6
116.10678	4.5
116.98615	16.8
119.01907	22.8
119.04911	6.1
127.03929	3.7
128.10703	3.5
128.14867	3.0
128.98532	11.6
129.10205	8.0
130.06491	4.2
130.08575	3.4
131.00162	4.0
131.01901	4.6
133.01672	3.8
133.03430	8.1
134.99646	18.4
135.04391	5.9
137.02135	4.4
137.05975	4.9
138.99973	7.1
139.05127	5.0
140.03351	5.2
143.00154	3.3
146.02721	30.2
146.99580	11.3
147.04324	5.9
149.02200	4.4
150.96851	3.2
157.06427	6.8
158.04442	12.7
158.99641	8.7
161.01180	6.9
161.02858	6.6
161.05890	5.9
162.98987	3.3
165.00603	4.1
175.00829	10.9
175.02515	3.3
177.00711	16.5
177.05856	5.0
177.56161	3.2
178.04785	3.5
185.05876	6.4
186.03941	5.3
187.07436	6.0
189.02383	7.8
193.00211	4.1
195.01584	4.4
199.02147	27.8
200.05524	3.7
207.03459	4.8
213.05293	13.8
213.07156	4.0
213.12265	4.0
214.10704	4.4
217.01883	9.6
217.05125	4.3
219.01678	4.7
223.07149	5.2
231.02864	6.6
231.06505	10.9
235.01044	4.9
235.03032	6.7
237.02654	6.6
241.03168	9.5
259.04111	100.0
259.09592	5.0
259.16562	8.3
260.04453	3.0
272.01694	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1102
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
53.78728	0.3
55.05498	0.3
56.05030	0.4
56.96559	1.8
57.03426	1.0
58.06588	0.9
60.08162	10.6
61.02920	0.7
65.72336	0.3
68.01674	0.3
69.03423	1.1
70.06572	0.7
70.79245	1.0
71.07374	3.1
72.08147	0.6
73.02924	0.5
74.67175	0.3
84.04496	0.6
84.08146	0.4
85.02905	1.9
86.09706	20.6
97.02884	1.6
98.97596	1.4
98.98470	3.7
104.10741	100.0
105.11071	0.6
116.98627	1.2
116.99433	0.4
119.01843	0.3
125.00001	25.3
127.03956	0.3
131.00171	0.9
131.01846	0.4
134.99690	0.8
140.02371	0.4
143.01099	0.6
145.15297	0.3
146.99695	0.4
147.03169	0.3
148.02109	0.3
148.03806	0.3
149.01196	0.4
156.03667	0.6
161.01196	0.5
177.00758	0.6
177.04132	2.0
178.04863	0.6
184.07341	10.2
184.40140	0.3
186.04594	0.8
191.02287	0.4
191.03955	0.4
199.03766	0.3
258.11057	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57076	3.6
56.96563	18.5
70.02303	10.5
70.02697	6.6
71.95263	3.9
78.04506	3.6
78.33537	3.6
78.33981	3.5
87.24969	3.1
98.97585	93.2
116.98624	77.0
117.51622	3.3
119.45601	3.4
134.99664	42.3
159.42290	3.4
206.39093	3.7
258.99783	43.1
260.04938	3.4
277.00803	100.0
278.01160	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01863	2.3
55.05497	2.6
56.05027	2.9
56.96551	3.5
57.03418	4.5
60.08135	1.9
69.03424	13.0
70.06569	6.2
71.01360	2.4
71.57156	2.8
73.02921	2.3
80.05025	8.5
81.03398	1.9
82.06573	15.3
83.04961	1.5
84.04479	2.9
84.08132	3.9
85.02902	13.2
86.09702	11.3
88.55764	1.7
95.04958	1.8
97.02374	1.9
97.02890	17.3
98.06039	3.5
98.97583	2.7
104.10052	2.4
104.10734	37.1
107.04904	1.5
108.04480	18.0
115.03915	4.7
121.69549	1.5
123.27508	1.5
124.99980	7.7
126.05508	49.8
127.06240	6.4
130.08598	2.1
134.99605	2.1
138.05469	2.1
149.02335	3.9
158.97388	2.0
164.02283	2.1
177.05914	3.8
182.36627	1.6
184.07347	3.6
187.07503	2.7
189.05585	1.9
213.05452	3.6
216.97908	2.1
231.02881	2.9
234.98981	5.4
240.08640	10.1
253.00327	2.4
258.00671	2.8
258.09689	100.0
258.13351	2.8
259.05942	5.5
259.10016	1.6
276.07602	2.0
279.09286	1.6
279.75735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.92420	1.9
53.03939	2.2
55.05508	13.2
56.96556	4.0
57.03434	5.3
57.07069	2.5
58.38224	1.9
59.04704	2.0
65.03951	3.0
67.05505	36.9
69.07062	7.1
71.04998	4.4
71.58009	3.0
73.52567	1.9
79.05493	10.3
81.03390	2.3
81.07065	18.3
83.04965	2.9
83.08620	3.6
91.05483	28.2
93.07041	11.4
95.04958	2.8
95.08591	15.1
97.06536	3.5
97.10183	2.8
98.97575	3.1
105.07023	18.2
105.70224	2.5
107.08572	10.2
109.06505	3.3
109.10173	10.3
115.05462	3.8
116.98612	4.6
117.07005	34.6
119.08569	12.6
121.10175	5.1
124.44841	2.3
128.06204	9.2
129.07004	30.1
130.07768	6.8
131.08569	60.8
133.10162	9.0
134.99657	5.8
135.08051	2.3
141.06958	9.0
142.07774	6.7
143.08554	28.7
145.06519	3.3
145.10124	100.0
147.08133	2.9
147.11707	8.0
155.08543	13.1
156.09364	2.3
157.10127	25.3
159.08083	4.4
159.11690	38.3
161.09625	3.7
167.08549	4.3
168.09320	3.7
169.10135	20.4
171.11687	30.2
173.13240	12.5
175.11203	3.3
183.11705	25.5
185.13300	10.4
187.25764	2.0
197.13295	18.1
199.14809	5.1
201.16431	3.0
211.14839	3.8
225.14929	4.2
229.04782	2.1
229.19511	4.1
239.17946	26.8
257.04550	6.1
257.07990	4.0
257.15579	7.1
257.18991	58.9
257.21912	2.9
274.97684	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
54.43345	1.1
55.01868	1.6
55.05308	1.1
55.05513	12.2
57.03439	2.2
67.05174	1.8
67.05509	25.3
69.07062	4.7
69.88561	1.5
70.54773	4.3
79.05492	8.2
81.07062	12.7
83.04987	1.3
83.08617	4.2
90.09162	1.1
91.05473	18.9
93.07035	6.0
95.04951	2.9
95.08604	10.2
97.06506	2.2
98.20995	1.6
103.05424	1.6
105.07030	18.8
107.08591	4.4
109.06512	1.6
109.10149	5.1
115.05439	2.9
116.06205	2.1
116.98634	2.1
117.07033	24.4
119.08589	9.1
121.10151	3.1
123.08035	1.7
128.06198	7.2
129.07010	16.2
130.07777	5.3
131.08571	48.7
133.06482	2.4
133.10149	8.3
134.99652	2.2
135.08046	1.4
141.06969	6.8
142.07744	4.3
143.08572	28.3
145.06502	2.6
145.10124	100.0
146.10512	2.1
147.11685	6.1
149.09587	1.9
155.08556	9.6
156.09338	1.8
157.10141	15.0
159.08037	2.0
159.11697	21.5
161.09657	4.2
161.13231	1.9
168.09293	2.1
169.10136	11.3
171.11685	21.3
173.09570	3.8
173.13301	13.4
175.11188	3.4
183.11674	15.8
185.13257	6.5
187.11150	4.2
187.14812	1.4
197.13286	15.8
199.14856	3.0
201.12729	4.1
211.14737	3.5
213.16394	3.8
215.14272	1.8
229.19516	4.7
239.17984	19.7
257.04550	3.3
257.19016	62.2
257.30157	1.7
258.27899	7.8
258.62195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05511	12.2
57.03431	2.7
57.07061	2.8
59.04992	1.7
65.03942	1.7
67.05504	28.9
69.07054	3.2
69.93854	4.0
70.06599	1.7
71.04967	1.1
72.08151	4.0
79.05491	6.0
81.07055	10.3
83.04960	0.9
83.08601	2.7
85.06540	0.8
90.09182	2.4
91.04972	1.1
91.05479	15.1
93.07051	5.3
95.04951	1.1
95.08615	8.6
97.06543	1.0
98.97544	1.3
103.05426	1.8
105.07028	12.9
107.08588	3.7
109.10151	7.0
111.08069	0.9
115.05473	2.8
116.06208	1.4
116.98638	1.5
117.07024	15.8
119.08565	5.7
121.10166	1.3
125.09570	0.7
128.06216	6.4
129.07007	10.9
130.07799	5.6
131.08574	34.7
133.06482	1.2
133.10109	4.5
134.99646	1.7
137.09512	0.8
141.06958	4.4
142.07756	2.8
143.08562	25.2
144.09254	0.8
145.10121	100.0
146.10420	1.1
147.07965	1.2
147.11703	2.8
153.07010	1.1
154.07782	1.3
155.08562	5.4
157.10136	10.2
159.07979	0.9
159.11688	12.8
161.09596	2.6
163.11237	1.4
168.09372	2.1
169.10121	8.2
171.11694	16.1
173.09631	1.4
173.11955	0.8
173.13298	4.1
175.11124	1.7
183.11676	11.4
185.13260	6.5
185.50597	0.8
187.11174	2.0
197.13263	9.9
198.13669	1.0
199.14731	1.1
201.12656	1.0
211.14827	2.0
213.16313	1.3
215.14363	1.2
229.04982	1.6
229.19595	3.4
239.17946	12.9
257.04434	2.2
257.07034	1.2
257.19019	42.7
257.26645	6.1
258.19315	2.1
258.27939	10.5
274.97495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05508	17.2
57.03432	2.6
57.07081	1.5
58.98494	1.3
61.57303	1.2
67.05502	29.4
69.07058	3.9
69.90560	6.8
70.70079	1.1
79.05489	11.3
81.07056	16.7
83.08605	5.2
85.06525	1.7
91.05478	23.7
93.07040	6.7
95.08604	10.3
95.09132	1.9
97.10149	2.5
98.97595	2.1
103.05468	2.3
105.07027	22.0
107.04938	2.0
107.08554	7.2
109.06476	1.4
109.10181	6.8
115.05432	2.4
116.06196	1.9
116.98636	1.4
117.07018	22.2
119.08582	13.5
121.06509	1.7
121.10168	4.5
123.08038	1.3
128.06223	6.7
129.06999	14.8
130.07809	6.9
131.08556	47.9
133.06465	2.1
133.10107	8.5
134.99579	1.5
135.11685	1.6
141.07076	6.7
142.07767	3.6
143.08549	27.5
144.09343	1.5
145.06474	2.9
145.10118	100.0
145.64142	1.3
146.10432	2.5
147.08038	2.6
147.11656	10.0
149.09641	1.9
154.07806	2.3
155.08534	8.3
157.10136	13.6
159.08015	3.6
159.11690	19.1
159.24388	1.2
161.09595	5.1
161.13242	1.8
163.11153	1.9
169.10118	9.0
171.11665	17.1
173.09589	6.6
173.13249	7.2
175.11244	3.1
183.11681	15.9
185.13190	6.3
187.11205	5.1
197.13274	11.9
199.14717	2.1
201.12791	2.2
211.14803	2.9
215.14403	2.1
229.19481	9.0
239.17937	16.1
244.35965	1.5
257.19003	94.1
258.19339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.61850	1.4
52.32458	1.3
53.03945	2.7
55.01870	3.2
55.05514	16.1
56.96526	2.0
57.03429	5.3
59.04993	2.0
67.05502	33.1
69.07060	11.3
69.96008	8.0
71.04988	3.9
79.05492	20.0
81.07050	31.3
83.04955	2.1
83.08608	4.5
85.06519	3.1
91.05474	28.3
93.07047	14.7
94.39308	1.4
95.04957	5.3
95.08601	27.7
97.06548	1.9
97.10168	2.4
98.97566	1.7
105.07024	25.3
107.04948	6.4
107.08601	8.1
109.10150	10.5
110.82402	1.5
115.05436	7.7
116.06238	3.8
116.98626	3.2
117.07011	40.1
117.30235	1.9
119.08592	13.9
121.10166	7.5
128.06203	8.4
129.06989	20.9
130.07784	5.4
131.08563	60.7
131.09528	3.2
133.06516	4.6
133.10141	11.7
134.99663	3.3
135.08040	3.4
135.11725	3.8
141.06981	12.4
142.07774	5.8
143.08565	30.1
145.06496	6.1
145.10117	100.0
146.10457	1.7
147.08093	4.4
147.11673	10.3
149.09665	2.5
149.13208	1.9
153.06963	2.0
154.07727	2.9
155.08549	14.0
156.09274	3.4
157.10130	26.1
159.08041	5.0
159.11678	31.8
161.09608	5.1
161.13251	3.7
163.11232	1.7
168.09372	2.7
169.10124	16.3
171.11674	22.1
173.09665	5.8
173.13260	15.4
175.11203	4.8
177.59972	1.5
182.10915	2.7
183.11670	20.4
185.13292	6.7
187.07312	1.6
187.11200	7.3
187.14784	2.9
189.12721	2.2
197.13237	20.0
199.14810	6.1
201.12784	4.4
201.16373	2.0
210.13974	1.9
211.14835	3.5
213.16458	3.8
215.14377	4.5
229.19481	4.9
239.17923	33.4
257.04385	3.0
257.19040	83.8
258.19290	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03940	2.1
55.05513	15.3
67.05505	30.8
69.07072	4.3
70.91880	5.3
71.67863	1.5
75.94984	1.6
79.05489	12.2
81.07047	18.5
83.08609	2.7
85.06513	1.9
91.05477	30.8
92.83195	1.9
93.07040	12.5
95.08605	19.0
103.05427	2.6
105.07029	28.6
106.14943	1.6
107.04943	2.4
107.08595	8.5
109.10123	8.5
112.16377	1.7
115.05460	3.0
117.07022	29.0
119.08573	21.8
121.10140	5.1
128.06203	4.7
128.75612	1.7
129.07004	13.4
130.07782	5.3
131.08556	44.0
133.06503	3.5
133.10149	14.0
135.11703	3.5
141.06953	6.1
142.07767	4.1
143.08556	13.6
145.06468	6.0
145.10118	83.0
147.07953	2.5
147.11705	13.7
154.07715	2.2
155.08548	8.2
157.10110	15.8
158.07358	2.5
159.08041	3.9
159.11685	24.3
161.13240	3.0
169.10143	10.4
171.11693	22.5
173.09613	3.3
173.13286	11.3
175.11171	4.8
183.11638	13.2
185.13261	6.4
187.11122	15.9
187.14799	6.9
197.13264	9.1
209.75876	1.8
211.14745	2.7
213.16330	2.4
215.14230	3.0
229.19489	52.3
239.17894	14.9
257.19000	100.0
257.30188	5.2
258.19464	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.16729	2.4
55.05508	12.3
57.07071	4.3
67.05505	34.9
68.83675	2.6
69.07055	9.4
70.45692	8.5
71.04982	4.1
72.08145	6.0
79.05485	9.4
80.89494	2.6
81.07054	20.5
83.04961	2.5
83.08623	6.1
85.06510	4.4
90.09216	2.9
91.05470	23.2
93.07045	6.6
95.08598	9.5
98.97607	3.1
105.07015	17.8
107.08587	2.6
109.10154	4.9
115.05452	5.8
116.06224	4.3
116.98613	5.7
117.07013	41.0
119.08575	11.4
121.10112	3.3
128.06221	8.7
129.06987	39.0
130.07785	5.8
131.08566	66.2
133.10091	13.0
141.06976	16.9
141.25343	2.3
142.07689	6.5
143.08551	30.8
145.10115	100.0
146.10480	2.5
147.11682	3.9
149.09587	3.5
154.07800	4.1
155.08588	17.1
155.09662	3.1
157.10124	25.4
159.08107	4.5
159.11674	36.1
161.09583	3.5
168.09245	3.8
169.10123	20.2
171.11696	47.0
173.13226	16.7
175.11183	3.3
183.11700	30.7
185.13313	11.9
187.11238	3.7
197.13225	22.1
199.11258	4.6
211.14793	5.4
239.17961	35.2
257.19003	63.1
257.26669	5.2
258.19272	2.5
258.27872	18.3
274.97351	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.80037	1.2
55.05513	13.2
57.03423	3.2
65.03950	1.2
67.05499	25.0
67.62596	1.2
69.07060	2.9
69.84280	1.3
69.90919	2.4
69.91321	7.4
71.04967	1.7
79.00697	1.6
79.05489	9.6
81.07053	10.5
83.08604	2.6
91.05479	12.9
93.07049	6.6
95.08590	8.8
97.10159	2.1
105.07030	16.1
107.08614	4.1
109.10129	3.8
115.05457	3.1
116.06237	1.9
117.07021	24.8
119.08578	7.1
121.10149	3.1
125.09639	1.8
128.06209	7.1
128.44762	1.2
129.07004	14.3
130.07771	6.6
131.08562	38.4
133.06485	1.4
133.10144	6.5
140.11052	1.5
141.06952	5.1
142.07768	3.6
143.07495	2.6
143.08548	28.6
145.10121	100.0
146.10519	2.7
147.11682	4.5
148.80650	1.4
155.08527	5.4
156.09337	2.2
157.10112	14.6
159.08044	1.9
159.11681	18.5
161.09656	2.8
161.13219	1.9
169.10118	11.1
171.11687	23.3
173.13261	6.2
175.11191	3.2
183.11705	14.9
185.13258	16.3
197.13240	11.4
199.14781	2.2
201.12639	1.7
211.14857	2.3
211.83217	1.4
212.95657	1.4
215.18102	1.4
229.19534	4.0
232.40692	1.4
239.17932	18.8
257.18994	56.7
257.26590	1.6
258.19156	2.5
258.27820	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.3
57.03416	2.7
57.07059	5.2
67.05502	30.9
69.07052	4.1
70.45387	3.1
70.45786	3.8
71.08625	2.3
72.08163	13.3
79.05493	10.2
81.07050	17.9
83.08617	2.9
90.09184	7.0
90.88596	1.5
91.05479	22.5
93.07021	5.6
95.08588	8.4
97.10157	1.9
98.97582	2.1
101.70755	1.9
105.07019	16.3
107.08583	6.2
109.10142	6.0
115.05435	2.5
116.06232	3.1
116.98631	2.6
117.07008	29.2
119.08553	7.3
121.10120	5.2
128.06224	6.9
129.07007	20.1
130.07800	8.7
131.08559	58.3
133.06477	2.5
133.10136	10.7
134.99654	1.9
135.11641	2.3
141.06949	10.0
142.07748	3.0
143.08554	27.1
145.06459	2.3
145.10117	100.0
146.10437	3.4
147.07986	2.4
147.11659	4.9
154.07718	2.3
155.08572	10.5
157.10141	20.8
159.11676	24.3
161.09648	3.3
167.08609	2.0
168.09341	2.4
169.10141	12.5
171.11662	29.1
173.09634	3.3
173.13232	11.3
182.10841	1.9
183.11707	21.3
185.13248	6.5
187.11166	4.5
187.14838	2.6
189.12813	1.8
197.13277	16.6
198.26865	1.6
199.14795	2.1
211.14725	2.6
213.16393	3.4
215.14212	2.1
229.19542	1.8
239.17949	26.4
257.19006	65.8
257.26584	2.0
258.19321	1.9
258.27921	46.7
274.97543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.42441	1.7
53.03940	3.5
55.05507	15.9
57.03415	4.2
57.07058	2.5
60.48219	2.0
62.06106	2.7
67.05504	37.3
69.07078	10.3
70.28120	5.7
70.28532	4.8
71.04960	4.9
79.05490	14.6
81.07053	28.3
83.08603	6.1
85.06536	3.5
89.82765	2.1
91.05475	35.8
93.07034	12.6
95.08598	17.5
97.06501	3.1
97.10144	2.1
103.05424	3.0
105.07027	26.2
107.08574	6.0
109.06482	2.6
109.10137	7.8
112.14993	2.1
115.05447	8.0
116.06230	4.4
116.98607	3.4
117.06219	4.2
117.07012	56.5
119.08549	12.6
121.10124	4.5
128.06219	12.0
129.07002	49.8
130.07768	3.9
131.08565	100.0
132.08916	3.4
133.06500	8.7
133.10141	15.5
134.99673	2.2
135.08029	3.7
135.11635	3.5
141.06976	18.1
142.07730	8.8
143.08560	31.8
145.06438	4.4
145.10124	89.6
147.08009	6.3
147.11694	3.6
149.09563	5.0
153.06921	3.8
154.07771	6.2
155.08551	21.4
157.10114	37.8
159.08032	8.0
159.11684	46.1
161.09663	5.4
167.08577	3.0
168.09424	3.1
169.10124	20.2
171.11670	37.8
172.95277	6.8
173.09647	4.6
173.13232	17.3
175.11177	9.2
183.11687	38.0
185.13156	9.9
187.11208	6.0
187.14926	2.7
190.96346	3.8
197.13268	26.7
199.14735	2.7
201.12743	3.6
211.14803	7.9
229.19531	4.0
239.17911	37.4
252.23190	1.9
257.18997	85.4
257.26627	3.2
258.28015	2.2
274.97498	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05516	11.1
57.03422	5.1
57.07066	2.2
60.08160	7.7
61.08490	1.9
65.03940	2.3
67.05508	25.2
69.07066	8.5
70.62725	4.3
79.05487	8.0
81.07066	16.5
83.08621	4.6
85.06528	1.8
89.57636	1.5
91.05486	19.1
93.07051	6.7
95.08608	7.7
97.06555	1.9
99.08094	2.2
102.80119	1.3
103.05443	2.2
105.07043	18.4
107.08584	4.8
109.10168	5.9
115.05461	3.0
116.06225	3.2
116.98591	1.7
117.07028	32.3
119.08563	9.5
121.10189	2.1
128.06232	6.1
129.07019	21.4
130.07765	5.6
131.07600	3.2
131.08580	53.8
133.06497	1.6
133.10133	5.7
134.99658	1.9
141.06992	9.9
142.07799	2.9
143.08566	30.6
144.09346	2.1
145.06514	2.1
145.10133	100.0
146.10487	2.3
147.07986	1.9
147.11679	5.5
153.00706	1.6
154.07813	3.3
155.08537	10.3
155.97433	1.5
156.09294	2.6
157.10136	18.6
159.08130	1.7
159.11711	35.9
160.12056	1.8
161.09644	2.3
168.09363	2.5
169.10143	12.3
171.11710	26.5
173.09691	2.0
173.13260	12.6
175.11179	3.3
182.10956	2.1
183.11722	18.8
185.13278	19.1
187.11168	3.6
187.14824	2.8
197.13310	16.0
199.14864	3.1
201.16402	1.4
204.47206	1.5
211.14886	2.3
213.16418	3.6
229.19521	4.7
239.17955	25.8
249.58270	1.4
257.19037	61.8
257.26392	1.6
257.30365	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
55.05511	12.1
56.96542	2.4
57.03431	11.0
65.03918	2.0
67.05503	24.2
69.07063	7.8
70.12898	5.2
79.05482	10.6
81.07047	12.6
83.08614	4.5
91.05473	20.0
93.07032	7.1
95.04943	1.6
95.08597	10.6
96.03537	1.4
97.06525	1.8
98.97575	3.9
103.05459	1.6
105.06358	3.0
105.07023	21.6
107.08585	6.9
109.10133	7.1
115.05477	4.4
115.76994	1.6
116.06232	3.0
116.98594	4.5
117.07006	34.3
119.08562	10.3
121.10173	4.2
128.06265	8.8
129.07004	38.5
130.07758	6.0
131.08565	47.1
132.24431	1.7
133.10114	7.0
134.99648	3.1
141.07014	8.8
142.07790	4.6
143.08551	33.7
144.09232	2.4
145.06445	3.2
145.10115	100.0
146.10419	1.9
147.08029	3.0
147.11658	6.2
154.07689	2.2
155.08534	7.8
155.88588	1.5
157.10120	19.1
159.10435	3.0
159.11687	35.7
168.09383	3.2
169.10117	12.1
170.10834	2.6
171.11647	15.0
173.13211	12.3
175.11172	4.3
182.10857	2.6
183.11705	16.5
185.13248	64.2
186.13638	2.7
187.11234	2.3
197.13222	14.3
199.14774	3.3
201.16374	4.2
211.14806	3.3
215.17967	2.6
229.19501	3.6
238.80652	1.5
239.17940	25.3
257.04410	3.7
257.18994	77.5
258.19220	1.8
274.97617	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.91460	2.0
51.63691	1.8
55.05520	12.6
56.85417	1.7
57.03420	6.6
59.38561	2.0
67.05514	27.4
69.07059	5.5
69.30683	1.8
69.82031	12.0
79.05499	9.5
81.07050	7.8
82.59790	1.9
83.08620	2.9
85.06560	3.2
91.05486	18.0
93.07037	7.8
95.08600	9.9
98.97578	3.3
103.02431	2.1
105.07047	18.2
107.08598	4.2
109.10139	5.7
115.05442	2.6
116.98601	2.4
117.07032	31.1
119.08590	8.7
121.10098	3.6
128.06215	7.8
129.07022	30.2
129.07942	3.8
130.07770	5.6
131.08575	43.7
133.10120	5.7
134.99606	3.2
135.11604	2.9
141.06963	6.1
142.07774	5.6
143.07512	2.4
143.08569	32.7
145.10132	100.0
147.08107	2.8
147.11676	6.1
155.08531	8.5
157.10147	22.7
159.11707	27.0
161.09674	4.7
164.45949	2.0
166.45572	1.8
169.10123	13.4
171.11703	21.3
173.13234	8.1
175.11200	2.5
183.11687	19.4
185.13271	54.6
197.13266	11.9
199.14844	3.8
201.16515	4.4
210.14148	2.0
211.14751	3.3
213.16388	2.6
215.14279	2.1
229.19540	4.5
229.64542	2.1
239.17967	26.0
257.04453	4.5
257.08118	2.5
257.19012	79.3
268.51425	2.1
274.97668	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01858	4.4
55.05506	14.4
57.03427	2.4
57.07068	1.4
59.61349	1.6
65.03963	1.8
67.05500	26.8
69.07063	10.7
70.42168	2.5
70.42575	3.5
71.04985	3.1
79.05489	16.4
81.07056	19.3
83.04969	3.3
83.08602	3.5
91.05480	31.6
93.07040	15.7
95.04958	5.4
95.08611	18.1
97.06503	1.7
97.10185	2.0
98.20811	2.1
105.07014	28.2
107.04942	5.9
107.08593	9.9
109.06524	4.4
109.10140	6.0
115.05445	4.6
116.06211	2.7
117.07008	22.2
119.08591	16.4
121.06498	5.2
121.10106	7.2
123.11749	1.8
128.06224	5.4
129.06998	14.9
130.07755	5.9
131.04906	3.3
131.08566	48.9
133.06471	18.3
133.10115	11.8
135.08075	2.5
135.11685	2.3
141.06976	7.2
142.07770	4.5
143.08546	15.2
144.05695	2.9
145.06470	19.2
145.10115	47.9
146.07298	1.9
147.08049	16.1
147.11671	7.2
149.09622	2.3
154.07704	1.5
155.05949	1.6
155.08548	7.5
157.10130	15.8
159.08052	14.8
159.11647	16.5
161.09642	17.1
163.11223	2.1
169.10103	7.7
171.11705	10.2
172.08826	1.8
173.09605	20.2
173.13246	6.6
175.11119	11.3
175.14690	1.8
179.22890	1.5
183.11670	8.7
185.13274	3.3
187.11145	13.4
187.14862	3.8
189.12691	2.8
197.13219	6.8
199.14876	2.1
201.12781	10.0
211.14830	3.3
213.16286	2.4
215.14272	4.6
218.86540	1.6
229.19490	7.6
239.17969	14.1
257.18997	100.0
258.19281	3.8
258.27914	3.9
277.07831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05499	3.0
56.96563	2.4
57.03431	7.1
65.03940	0.9
67.05498	3.9
68.99776	1.6
69.03431	1.6
69.07079	2.9
70.06606	1.8
71.04999	1.7
75.04460	1.7
79.05489	7.0
81.03409	3.4
81.07092	5.6
82.06606	1.1
83.04955	2.3
85.06555	2.3
86.09698	2.3
91.05489	7.4
93.07047	3.5
94.04179	1.3
95.04977	3.7
95.08606	5.1
97.06571	1.7
100.11198	1.1
103.05473	3.7
105.07033	35.1
107.04958	4.5
107.08629	1.7
109.06519	2.7
109.10142	2.6
115.05453	1.9
116.98638	1.2
117.07044	2.6
119.04931	3.9
119.08608	3.6
121.02796	1.5
121.06477	1.3
121.10188	2.0
122.03616	5.2
123.04424	1.3
123.08109	2.1
129.07014	1.9
131.02029	1.4
131.08568	2.0
133.06490	46.0
133.10147	2.7
135.04384	2.1
135.08044	1.8
137.02345	18.0
137.05980	100.0
137.09592	2.2
138.06306	1.5
141.07004	1.1
143.08528	2.0
144.05675	1.0
145.06459	1.5
145.10127	1.7
147.04420	10.2
147.08078	1.3
150.06708	1.0
155.08559	1.3
155.10614	1.1
157.10178	1.3
161.06007	1.4
161.09625	1.9
163.03862	1.3
163.07584	6.3
165.06960	3.0
165.09116	24.9
169.06567	1.2
175.07556	2.2
175.11246	1.5
177.09148	2.0
181.08621	1.5
183.07980	1.6
183.10130	2.4
185.13272	1.4
190.66013	1.2
192.57072	1.1
197.06055	1.9
203.10712	2.4
209.11682	1.4
211.07611	2.0
221.11801	2.4
225.09222	1.3
228.42488	1.0
229.04953	1.7
229.29442	1.3
234.99001	2.3
239.06937	1.3
257.04559	9.4
257.08136	15.8
257.12228	1.4
257.19238	2.3
257.26648	1.6
258.05209	2.6
258.08139	1.6
260.28717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80333	1.1
53.03951	1.2
55.05518	13.6
57.03425	5.1
57.07060	1.7
65.15863	1.3
66.83733	1.3
67.05505	30.8
69.07066	4.5
71.04997	1.3
79.05483	9.4
81.07048	12.7
83.08606	4.9
85.62717	1.3
89.20911	1.2
91.05486	18.2
93.07039	8.7
95.08600	10.1
97.06545	2.6
98.97563	1.7
103.05466	1.2
105.07021	16.6
107.04926	1.3
107.08568	4.3
108.17110	1.1
109.09489	1.1
109.10137	7.6
115.05450	3.0
116.06257	2.1
116.98618	2.2
117.07012	22.9
119.08585	8.1
121.10139	2.4
123.11592	1.1
128.05321	1.9
128.06169	7.8
129.07008	17.6
130.07785	6.3
131.08563	42.4
133.06483	2.2
133.10123	7.0
134.99663	2.3
135.08066	2.4
141.06975	6.2
142.07770	5.0
143.08560	28.1
144.09232	1.5
145.10123	100.0
146.10497	1.6
147.08069	2.6
147.11691	3.4
153.07001	1.9
154.07799	1.8
155.08514	9.1
157.10123	18.3
159.08049	2.5
159.11693	24.0
161.09613	3.1
167.08508	1.7
169.10135	11.3
171.11679	20.6
173.09619	3.1
173.13232	6.5
175.11252	2.9
183.11673	11.6
185.13254	16.2
187.11209	3.2
187.14804	1.5
197.13284	11.8
197.68283	1.5
199.14806	2.4
204.08374	1.3
211.14723	2.7
213.16405	2.6
215.14374	2.4
215.18021	2.0
229.19553	3.3
229.50127	1.7
239.17961	18.2
257.04269	1.4
257.19019	60.1
257.26746	1.5
258.19412	3.9
274.97305	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34106	0.8
55.01860	1.9
57.03429	4.7
61.02924	1.2
64.06185	0.9
66.90821	0.8
69.03415	3.0
71.01334	1.8
71.57143	0.9
71.57548	1.0
73.02904	3.8
76.35004	0.8
80.05003	2.1
85.02893	3.7
96.04460	1.0
97.02909	2.2
115.03926	2.1
119.01850	1.8
123.05550	1.2
124.03947	100.0
125.04284	1.5
133.04913	3.1
152.07074	1.5
155.08141	1.0
166.08649	1.4
169.03497	0.8
169.20973	0.9
187.04495	1.2
256.08246	1.3
256.26419	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.8
56.96549	1.3
57.03433	6.8
61.02901	2.2
69.03427	3.4
71.01346	1.0
71.56920	1.1
73.02896	2.7
80.05016	2.4
85.02899	4.3
87.04453	1.4
97.02888	3.1
98.97585	1.0
108.10066	1.0
115.02420	0.9
115.03957	2.4
119.01927	2.8
121.12954	0.9
123.05511	0.9
124.03951	100.0
130.08665	1.0
133.04959	4.1
134.06023	1.7
138.05458	1.0
141.14850	0.8
141.15974	1.0
145.03456	1.4
148.07545	1.1
150.05525	1.4
152.07036	2.2
155.08070	1.3
166.08594	2.3
168.06522	2.5
169.03389	1.2
176.07042	1.1
187.04593	1.2
215.04105	1.1
238.06882	1.0
251.02501	1.4
256.08096	2.7
256.12561	0.8
256.26318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03953	4.5
53.57177	2.2
55.01859	6.0
55.05517	22.9
56.96547	4.8
57.03197	2.2
57.03438	31.9
57.07053	4.6
61.17024	2.4
65.03941	3.0
67.05179	3.8
67.05504	57.1
69.03435	2.6
69.07072	19.0
71.01336	3.7
71.04987	7.1
71.08608	2.6
71.57973	2.3
79.05066	3.7
79.05492	54.8
81.03404	9.4
81.07050	33.4
83.04974	19.0
83.08601	7.7
85.06530	4.6
91.05481	26.7
93.07047	55.1
95.04988	11.4
95.08603	15.4
96.37276	2.5
97.06510	18.0
97.10160	11.9
98.97723	2.4
98.98463	54.2
99.08102	4.5
105.04597	2.4
105.07066	11.3
107.04961	6.8
107.08590	35.4
109.06476	5.7
109.10141	8.5
111.08076	2.6
116.99470	3.1
117.07017	10.3
119.08595	12.7
121.10141	8.4
123.11642	2.7
125.09599	4.0
128.06215	12.1
129.06996	10.7
131.04988	3.7
131.08543	8.7
133.10083	5.4
134.03522	2.3
135.04411	4.5
135.08115	4.3
135.11684	50.0
137.09608	3.6
141.06979	6.0
142.07745	2.7
143.08556	17.7
145.10109	13.5
152.06151	4.8
153.06982	10.3
154.07707	2.3
155.08533	6.6
157.06573	3.3
157.10146	12.7
159.11671	3.0
163.11189	6.4
165.06961	5.5
167.08566	4.4
169.10150	5.5
171.08087	11.1
171.11681	8.8
178.83151	2.5
181.06459	7.3
181.10092	5.6
181.12265	4.7
183.11658	10.4
185.09645	4.2
195.11746	5.3
197.13281	3.3
199.07542	9.0
199.11183	3.0
209.13300	4.7
211.14749	4.3
227.07021	44.0
227.14261	2.7
231.80132	2.5
237.14470	14.8
237.16542	8.6
255.06514	100.0
255.10240	4.4
255.15500	8.9
255.17439	25.5
255.20366	3.8
255.21017	3.0
256.06912	7.1
266.91870	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03924	4.4
55.01875	5.0
55.05515	32.3
56.96545	2.5
57.03441	61.4
57.07079	9.3
65.03935	4.7
67.05508	98.3
69.03439	2.8
69.07073	30.5
69.80798	5.7
69.81213	6.5
71.01351	5.6
71.04990	7.1
79.05495	97.0
81.03422	14.8
81.07059	49.3
83.04990	27.4
83.08620	8.0
85.06547	6.8
91.05482	39.0
93.07046	100.0
94.06628	1.9
94.07383	2.2
95.04964	17.5
95.08612	16.8
97.06530	23.9
97.10159	18.0
98.98465	41.5
98.99885	1.7
99.08096	3.3
100.98903	3.5
103.05474	1.9
105.07037	9.9
107.04970	4.4
107.07868	3.0
107.08601	61.7
107.09307	4.1
109.06525	3.9
109.10145	10.4
111.08092	5.2
117.07015	11.0
119.08564	15.2
121.06487	3.4
121.10124	12.1
125.09651	4.3
129.07010	4.1
130.07774	2.4
133.10126	5.1
135.11694	94.2
137.09662	3.4
141.06972	2.5
143.08594	5.4
145.10129	18.7
153.12762	3.4
157.10173	4.9
158.17400	1.8
163.03897	3.2
163.11182	12.3
169.10138	2.0
181.10152	2.1
181.12292	13.2
185.13200	1.9
195.11737	2.1
213.16438	2.1
214.83087	2.1
255.06619	6.2
255.10358	6.3
255.15738	37.5
255.20979	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83675	2.4
53.03940	5.9
55.01859	7.7
55.05504	38.2
56.96560	3.3
57.03434	71.0
57.07068	7.2
65.03938	5.1
67.05501	98.0
69.03383	2.7
69.07063	34.8
69.33136	20.6
69.33554	6.3
71.01350	4.3
71.04987	10.6
79.05489	93.4
81.03414	11.0
81.07046	50.4
83.04971	28.7
83.08601	7.6
85.06555	5.1
91.05473	46.6
93.07036	100.0
95.04962	15.3
95.08616	17.0
97.06530	24.3
97.10164	17.8
98.98452	47.1
99.08084	3.9
105.07019	11.5
107.04921	3.5
107.08589	70.9
109.06519	5.6
109.10146	11.2
111.08094	6.0
113.06069	3.1
115.05537	3.0
116.99511	3.1
117.07010	14.4
119.08545	14.2
120.37724	2.4
121.06522	4.2
121.10130	15.0
125.09621	2.9
128.06160	4.3
128.84573	3.0
129.06989	7.1
130.07733	3.4
131.08591	7.1
133.10135	7.8
135.08063	5.0
135.11688	95.6
137.09576	4.1
141.06982	4.1
142.07820	2.9
143.08557	16.9
143.09534	2.8
145.06519	3.2
145.10109	20.9
153.12759	2.9
157.10124	7.9
159.11667	3.3
163.11176	11.6
167.08556	3.4
171.11713	7.0
181.10098	3.8
181.12253	8.6
195.11740	5.0
199.03976	7.2
199.11041	3.1
215.09158	2.7
218.99495	2.9
237.16351	5.8
255.06479	7.9
255.10217	6.9
255.15915	29.5
255.17772	12.1
256.26379	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01861	6.5
55.05268	3.4
55.05509	40.1
56.96561	1.9
57.03437	55.9
57.07078	10.2
65.03913	2.7
67.05500	100.0
68.99788	2.4
69.07065	32.6
71.01355	9.6
71.04987	11.1
71.08616	3.4
71.58617	3.8
76.34985	1.7
79.05489	75.4
81.03400	7.9
81.06584	3.4
81.07052	56.4
83.04972	21.7
83.08614	9.3
85.02911	2.2
85.06529	9.3
91.05476	33.7
93.07036	93.9
93.07628	4.5
95.04955	15.0
95.08598	28.3
97.06522	28.4
97.10162	19.8
98.98462	39.6
99.08076	2.9
100.98869	2.9
105.07029	15.8
107.04958	3.9
107.08586	58.2
109.06500	5.9
109.10150	16.9
111.08083	4.2
111.11672	2.9
117.07027	9.3
119.04897	2.1
119.08591	12.2
121.06481	4.6
121.10146	15.9
123.08026	2.4
123.11695	5.0
124.07565	2.2
125.09642	4.6
128.06206	4.3
129.06989	4.1
131.08594	4.2
133.10121	7.3
135.08081	3.0
135.11693	87.3
137.09596	6.3
139.07484	2.8
141.06966	2.9
143.08469	4.5
144.92667	2.0
145.10120	19.6
147.11713	3.1
149.13153	2.5
151.11174	2.0
152.06204	2.0
153.06995	4.3
153.12801	4.3
156.13806	2.6
157.06493	3.5
157.10107	5.9
159.08020	2.5
159.11729	4.3
163.11189	10.3
163.50784	1.7
167.08693	2.6
169.10005	3.6
171.08098	2.8
171.11697	6.5
177.12758	3.5
181.06464	4.8
181.10114	3.1
181.12196	14.1
182.11777	2.9
184.05182	2.5
184.13397	3.8
185.13251	3.0
195.08151	3.2
195.11806	3.5
195.13698	2.5
197.13292	3.5
199.07452	4.2
199.14787	4.2
219.13724	2.2
227.07007	8.4
237.14743	3.2
237.18535	2.8
237.22141	2.8
255.06523	31.9
255.10278	6.2
255.13528	4.6
255.15634	21.6
255.21040	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01868	8.8
55.05511	34.3
56.96564	4.5
57.03439	60.0
57.07063	3.7
58.04361	2.2
64.70900	1.7
65.03940	5.2
66.63520	1.9
67.05503	90.6
69.03431	4.4
69.07065	31.4
71.01354	7.1
71.04996	11.9
71.57809	2.5
71.58203	3.6
78.58698	2.3
79.05492	71.2
81.03427	8.6
81.07058	49.9
83.04981	19.9
83.08616	8.0
85.06544	7.1
91.05479	36.5
93.07042	88.4
93.07633	4.4
95.04957	10.7
95.08602	25.6
97.06528	23.4
97.10175	21.6
98.98463	43.3
99.08101	4.4
100.98875	3.2
105.07024	16.8
107.04934	3.8
107.08598	55.1
109.06507	3.8
109.10142	11.5
111.08111	4.7
115.05468	3.1
117.07026	10.6
119.04959	3.3
119.08576	14.9
121.06486	4.2
121.10133	15.1
123.11716	3.4
125.09628	3.0
128.06230	4.4
129.06992	5.8
131.08586	4.3
133.10178	5.9
134.03607	1.9
135.08096	4.0
135.11687	100.0
137.09596	4.3
141.06979	2.8
143.08623	5.0
145.10107	17.5
149.05977	7.4
152.06216	2.8
153.07013	5.4
153.12764	3.4
156.09337	2.9
157.10190	6.0
160.88506	2.0
163.11157	11.4
165.07022	2.3
171.08049	2.0
171.11723	2.5
176.42311	2.0
177.09071	2.6
181.06468	5.8
181.12239	13.3
184.05280	3.3
185.13271	2.1
193.86391	1.9
195.08220	2.3
197.13348	2.8
199.07600	4.9
213.16470	2.6
219.10281	3.9
227.06993	21.3
255.06519	59.0
255.15976	17.5
255.17912	6.1
255.21083	7.9
256.07199	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84507	2.1
53.03944	9.2
55.01869	5.1
55.05508	37.2
57.03438	56.6
57.07073	4.8
62.52539	2.3
65.03939	3.3
67.05502	90.1
67.07380	2.7
69.03424	2.7
69.07069	35.3
71.01347	5.2
71.04992	9.6
71.08622	2.4
71.58012	3.6
79.05489	89.2
81.03416	12.5
81.07056	42.8
83.04984	25.7
83.08607	12.7
85.06555	6.3
91.05476	43.0
92.92118	2.6
93.07043	92.6
95.04968	15.2
95.08610	15.4
97.06527	21.1
97.10177	21.3
98.98464	37.6
99.08073	4.0
105.07020	9.0
107.04950	4.0
107.08597	59.6
109.06507	4.0
109.10139	13.3
111.08091	5.1
117.07002	10.0
119.08584	17.1
121.06499	3.8
121.10139	13.4
125.09597	5.3
128.06236	3.6
129.06998	8.9
131.08572	7.0
133.10110	6.1
135.08057	3.7
135.11684	100.0
137.09630	2.6
141.06958	4.1
143.08607	12.4
145.06522	2.9
145.10141	24.9
155.08539	6.4
157.10141	10.0
159.11639	3.4
163.11176	10.0
165.07068	2.6
167.08614	4.1
169.10202	6.5
171.08046	3.0
171.11761	4.8
181.10143	7.8
181.12221	9.5
183.11714	7.3
194.31326	2.6
195.11699	7.5
197.13277	5.9
199.11119	4.5
199.14839	3.9
209.13126	3.8
213.12790	2.4
218.71736	2.3
227.17947	3.4
237.16408	9.7
255.06551	3.9
255.10193	12.8
255.15833	28.4
255.17700	18.6
255.21288	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
55.01861	4.6
55.05513	39.6
57.03438	52.1
57.07074	5.9
65.03962	2.6
65.67078	1.8
67.05505	91.2
69.03436	3.0
69.07069	35.0
69.39336	3.9
69.39748	16.5
71.01341	4.6
71.04996	10.5
79.05492	94.8
81.03442	11.6
81.07055	44.3
83.04974	28.1
83.08614	8.1
85.02135	2.3
85.06533	9.0
91.05481	39.5
93.07040	100.0
95.04962	13.3
95.08601	15.8
97.06529	26.2
97.10176	16.9
98.21455	3.6
98.98467	32.5
99.08092	3.6
101.05978	2.1
105.07039	10.3
107.04977	4.1
107.08592	66.6
109.06516	3.6
109.10135	11.6
111.08095	4.1
115.05448	3.2
117.07011	8.4
119.08582	11.7
121.06507	4.1
121.10146	10.3
125.05975	2.0
125.09643	3.8
128.06219	3.9
129.06987	9.0
130.07777	3.8
131.08589	3.9
133.10158	6.5
135.08113	3.4
135.11691	94.0
136.12056	2.6
141.06902	2.7
143.08557	14.8
145.06474	2.6
145.10118	25.0
155.08571	3.7
157.10133	6.6
159.11678	3.9
163.11180	9.4
167.08606	4.3
169.10144	6.0
171.11708	3.8
173.02420	3.1
173.09639	2.5
181.10130	4.6
181.12213	12.6
183.11671	6.3
185.09674	3.1
187.11154	3.1
193.77165	2.3
195.11729	3.6
199.03902	7.0
199.11234	2.7
208.43297	2.1
213.12852	2.5
234.91661	2.1
237.16246	5.8
255.06554	8.5
255.10240	6.4
255.15907	25.0
255.17757	11.1
256.26294	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60568	2.8
53.03934	6.3
55.01879	6.2
55.05511	35.0
56.96561	11.1
57.03434	53.0
57.07060	5.9
65.03956	4.6
67.05505	94.8
68.33459	2.9
69.03423	3.4
69.07067	37.6
71.01321	3.6
71.04986	11.2
79.05492	87.6
81.03436	13.7
81.07060	56.6
83.04983	28.9
83.08614	9.8
85.02888	5.4
85.06532	9.4
85.30805	2.7
91.05486	43.9
93.07047	100.0
95.04967	13.1
95.08604	22.2
97.06532	22.3
97.10165	17.4
98.21470	6.0
98.98462	88.9
99.04472	4.7
99.08102	4.5
105.07046	15.8
107.04949	3.5
107.08593	62.9
109.06512	5.7
109.10155	13.6
117.07037	13.8
119.08585	17.6
121.06503	4.5
121.10151	16.4
123.08036	3.5
123.11728	4.1
128.06244	8.0
129.07031	7.9
130.07816	3.1
131.08603	6.5
133.10101	9.5
135.08046	5.6
135.11687	89.8
137.09595	5.5
141.07025	2.9
142.07793	5.7
143.08565	12.1
145.06458	3.8
145.10135	25.0
147.97949	2.7
149.13408	3.0
153.06996	4.8
153.12756	5.8
155.08601	5.1
156.09258	3.3
157.10127	11.2
159.11700	4.1
163.11174	11.5
167.08559	4.0
169.10083	3.7
171.11726	5.6
173.09770	2.7
181.10130	5.2
181.12231	12.2
183.11633	5.6
185.13220	3.6
195.11731	6.1
197.05977	3.3
197.13272	3.4
199.07530	5.0
199.11182	4.5
203.02869	2.9
209.13281	6.0
209.64467	3.3
211.14841	7.6
237.16441	8.9
255.06493	28.9
255.10298	6.6
255.15834	25.6
255.17677	18.7
255.21159	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.8
53.03947	6.2
55.01878	9.3
55.05511	38.4
57.03438	62.9
57.07070	7.3
65.03937	5.0
67.05502	100.0
69.03420	2.8
69.07070	34.5
69.27936	29.4
71.01350	5.7
71.04996	13.5
77.47368	2.3
79.05493	90.5
81.03405	13.5
81.07060	42.9
83.04973	26.8
83.08627	8.2
85.06531	8.1
91.05480	51.5
93.07047	93.0
93.07629	5.8
95.04986	10.8
95.08598	19.7
97.06528	33.2
97.10180	12.4
98.98482	22.5
99.08116	5.8
100.98904	2.6
101.08924	2.6
105.07011	18.9
107.04936	5.7
107.08595	58.3
109.06507	3.3
109.10162	13.1
115.05482	5.9
116.06269	3.1
117.07016	19.9
119.08591	15.2
121.06559	3.7
121.10142	8.5
125.09676	7.4
128.06207	9.6
129.07063	14.9
131.08592	11.8
133.10126	11.9
135.08041	3.7
135.11688	87.4
141.07028	6.8
142.07803	6.1
143.08546	21.0
145.06500	6.1
145.10139	29.8
155.08578	10.2
155.09854	2.8
157.06535	3.2
157.10144	15.1
159.11713	4.1
163.11163	12.6
167.08595	6.4
169.10094	14.3
171.07990	3.8
171.11659	13.0
173.09528	3.6
176.95323	2.7
181.10129	8.8
181.12253	11.8
183.11714	5.9
185.09683	8.6
186.10397	3.5
187.11217	4.2
195.11696	10.2
199.11137	13.5
209.13225	3.3
213.12801	3.9
213.16342	3.3
227.17923	4.6
237.16367	12.4
255.17841	59.7
258.44034	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0651
Annotation	5,7-Dihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01877	3.9
65.03933	1.2
68.99461	0.3
68.99783	2.2
69.03405	0.3
70.60473	0.2
70.71170	0.5
70.71525	0.7
71.01348	0.2
79.05460	0.3
81.65863	0.2
89.03891	0.3
91.05486	1.4
93.03372	0.7
95.01344	0.7
98.98454	1.0
103.05463	0.6
105.03397	0.5
107.04947	0.3
115.05453	1.8
117.03386	0.5
117.07008	0.7
121.02855	0.8
126.22500	0.2
128.06230	6.6
129.07018	2.5
131.04938	3.5
131.08585	0.7
133.02917	0.5
133.06476	0.4
134.03641	2.7
141.07008	1.2
143.08551	1.8
144.05649	0.3
145.06474	2.4
147.04401	4.6
152.06213	5.6
153.06995	10.0
155.06033	0.8
157.06516	2.9
159.04414	2.4
159.08031	0.6
161.02393	1.2
165.07011	0.6
169.06508	1.2
170.07283	0.4
171.08058	8.0
173.05989	1.4
181.06476	10.5
182.07231	1.1
184.05211	5.9
185.05984	2.4
187.03925	3.4
187.07513	0.4
197.06003	2.0
198.06812	1.7
199.07544	12.7
200.07936	0.3
205.63205	0.2
209.05872	1.3
210.06802	1.7
212.04593	0.4
213.05424	0.3
213.40645	0.2
217.61446	0.3
226.06218	0.9
227.07030	16.5
237.79048	0.3
254.24915	0.5
255.06526	100.0
256.06909	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	13.6
60.04519	11.0
61.02922	9.2
61.04861	4.5
67.05463	4.7
69.03442	3.4
70.13902	3.4
70.60976	6.9
70.61336	12.4
71.01347	7.5
75.04463	12.9
77.68759	3.1
78.30348	3.3
79.05487	4.2
84.08102	4.2
84.30039	3.5
87.04463	7.7
90.95654	4.3
97.02890	4.6
98.55040	3.4
98.98461	100.0
99.75809	3.5
103.03947	19.5
116.99514	6.6
120.08100	11.4
121.08434	13.9
134.99637	4.3
143.00185	4.5
159.02885	47.7
161.01219	6.9
167.08989	6.4
196.83607	3.4
208.11728	3.7
213.02141	3.6
215.56610	3.7
219.05008	73.6
249.02769	6.0
254.10039	5.6
259.10437	4.5
267.03885	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.9
56.96556	2.2
60.08161	83.8
65.03932	6.8
67.49794	0.8
70.06585	1.2
70.79467	1.8
70.79844	1.5
79.05433	1.3
81.99834	0.7
89.03869	0.9
91.05476	9.3
93.03401	11.5
95.04953	1.7
98.05982	0.9
98.98470	12.6
103.05479	1.6
107.04944	1.0
107.52643	0.9
110.03635	3.7
110.07108	1.0
111.04433	31.5
117.03337	0.8
119.04913	5.2
121.06493	3.2
122.06025	0.9
125.05991	42.7
125.53016	0.7
134.03574	1.3
135.04439	1.2
140.43675	0.9
143.00136	1.0
148.16924	0.8
149.05974	85.7
151.07536	1.5
153.05457	100.0
154.05779	1.0
161.01207	1.2
163.03894	0.8
177.05478	7.4
195.06520	64.4
195.11301	2.4
208.09737	0.9
235.16779	0.9
249.02725	1.1
254.13860	27.5
254.16061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0649
Annotation	5,7-Dihydroxyisoflavone
Peak:m/z	Relative Intensity
52.53040	0.2
55.01866	2.9
55.05508	2.1
55.21953	0.3
57.03423	0.3
57.07048	0.3
60.34101	0.3
65.03918	0.7
67.05473	1.1
68.99791	1.8
69.03404	0.9
69.07045	1.0
70.21265	0.5
70.21661	0.9
71.04969	0.5
79.05476	1.0
81.03402	0.4
81.07063	1.4
82.06569	0.4
83.04942	0.8
83.08577	0.5
85.06495	0.6
91.05496	1.6
93.03412	0.4
93.07022	1.3
95.01340	0.3
95.04935	0.9
95.08598	1.6
97.06499	0.8
98.21532	0.4
98.98463	6.3
99.08051	0.3
100.11256	0.6
102.37867	0.3
103.05431	0.4
105.03334	0.4
105.07001	1.1
107.05025	0.3
107.08577	1.1
109.06474	0.4
109.10151	0.7
111.04442	0.5
111.08022	0.3
115.05456	1.1
116.98651	0.4
117.07011	0.7
119.08566	0.8
121.06503	0.3
121.10089	0.8
123.08092	0.3
123.11675	0.3
125.09599	0.4
128.04701	0.3
128.06229	5.9
129.07005	2.0
130.46883	0.3
131.04926	2.6
131.08524	1.2
133.02791	0.8
133.10120	0.9
134.03630	2.6
135.11681	0.4
141.06979	1.1
142.07808	0.3
142.34068	0.3
143.08534	2.3
144.05704	0.6
145.06468	1.5
145.10107	0.6
147.04405	2.0
149.13280	0.4
152.06206	4.7
153.06987	7.5
155.06033	0.5
155.08549	0.4
157.06496	2.8
159.04373	1.5
159.08025	0.5
159.11736	0.3
161.02347	0.6
161.05965	0.4
165.07004	0.4
167.08479	0.4
169.06447	1.2
169.10164	0.3
171.08034	6.1
171.11646	0.3
173.06055	0.6
173.13295	0.3
181.05003	0.4
181.06451	8.5
182.07166	0.8
184.05196	4.6
185.05977	1.7
185.09660	0.4
187.03851	1.2
197.05966	1.7
197.13223	0.5
198.06761	1.2
199.07526	9.0
200.07683	0.4
209.05733	0.3
210.06732	0.8
213.05429	0.4
226.06268	1.4
227.07014	38.1
228.07338	0.7
236.62660	1.4
237.12544	0.4
237.16394	0.4
237.18469	0.4
245.63072	0.7
246.13000	1.2
254.63686	1.0
255.06509	100.0
256.06876	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.98872	1.7
55.01864	6.9
55.05505	9.8
56.96545	3.4
57.03422	1.9
57.07068	2.2
57.28761	2.0
67.05492	19.4
68.13300	1.6
69.03427	7.3
69.07065	9.1
69.53864	14.8
71.04980	12.2
71.52244	1.7
79.05494	26.7
81.03412	3.5
81.07055	57.2
83.04992	3.1
83.08606	4.6
85.06530	5.7
87.04502	1.8
91.05484	20.0
92.87872	1.7
93.06478	4.0
93.07043	49.8
95.04967	19.3
95.08602	23.4
97.02912	2.5
97.06532	18.7
98.20757	3.3
98.98470	57.0
99.04446	7.9
105.07034	29.7
107.04941	7.8
107.08575	21.7
109.06514	34.9
109.10148	6.6
111.08080	5.5
113.06023	3.1
117.07039	3.3
119.04947	2.6
119.08566	21.2
121.06503	100.0
121.10136	5.2
123.04420	5.2
123.08076	4.6
123.11769	2.4
127.07538	14.0
129.06999	4.2
131.08553	5.3
133.06453	4.8
133.10147	12.4
135.04405	6.2
135.08031	14.8
135.11703	2.3
137.05998	4.5
139.07526	26.0
141.05443	3.3
141.06990	3.0
142.07791	4.4
143.08522	10.2
145.06490	2.5
145.10120	8.3
147.08040	7.1
147.11664	27.2
156.09348	6.1
157.06448	2.3
157.10120	15.2
159.08018	2.5
161.13182	10.0
165.06989	2.8
165.12744	5.6
166.07768	4.1
171.08136	2.0
171.11671	16.4
175.11163	19.8
180.07289	2.7
181.10114	7.3
184.08888	4.9
189.12744	25.4
193.12253	17.4
199.11160	35.6
207.13747	10.0
217.12221	73.3
235.13283	25.7
252.59378	3.0
253.14264	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03938	3.5
55.01863	6.9
55.05513	8.1
57.07064	1.4
66.95541	1.4
67.05503	15.3
69.03412	5.1
69.07056	6.9
69.33771	16.4
71.04990	9.6
71.73408	1.5
79.05494	31.6
81.06583	3.4
81.07058	55.7
83.04990	7.8
83.08607	4.1
85.06532	4.6
91.05486	16.8
93.07043	50.8
95.04971	14.4
95.08610	21.6
97.06530	16.4
98.20782	2.9
98.98461	43.8
99.04446	9.6
105.07038	29.1
107.04963	7.5
107.08602	23.5
109.06519	33.6
109.10139	3.8
111.04432	2.1
111.08078	5.2
113.06026	4.1
115.05457	2.2
116.64970	1.5
116.99516	2.5
117.07021	3.3
119.04940	2.9
119.08572	22.4
121.06506	100.0
121.10114	4.4
123.04429	4.0
123.08072	5.3
123.11714	2.1
125.05962	3.8
127.07558	17.6
128.06180	2.1
129.07013	4.3
131.08562	5.8
133.06508	4.6
133.10146	11.4
135.04379	4.8
135.08051	10.9
135.11670	1.8
137.05980	4.5
139.07530	19.1
141.05457	1.6
141.07001	2.0
142.07797	5.3
143.08534	10.1
145.06508	1.6
145.10130	5.8
147.08026	4.1
147.11699	23.9
151.07613	2.1
156.09355	3.4
157.08852	2.8
157.10109	15.7
157.73032	1.6
159.08011	2.1
159.11810	2.0
161.06023	2.0
161.09543	2.6
161.13277	12.2
163.14746	1.5
165.07059	2.0
165.12767	6.8
166.07797	6.0
171.07986	2.6
171.11691	20.9
173.09576	3.4
175.11197	18.5
181.10127	7.3
184.08794	2.1
189.12769	21.3
193.12234	15.5
199.11176	33.9
207.13876	9.0
217.12245	75.6
235.13290	28.4
253.14305	13.0
258.18634	1.6
268.71997	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.46383	1.0
52.78845	1.1
53.03933	2.2
55.01863	3.6
55.05508	10.5
57.03416	2.1
57.07053	2.4
60.04539	1.4
64.01729	1.4
65.03923	1.4
67.05499	13.0
69.03419	4.6
69.07070	6.9
70.42817	1.0
71.04983	9.2
71.57613	1.7
72.38107	1.1
74.71519	1.1
77.03954	1.1
79.05489	16.9
81.03394	1.7
81.07054	33.1
81.07523	2.1
83.04971	4.0
83.08610	3.6
84.05727	1.3
85.06564	5.8
91.05478	14.8
93.07042	24.5
95.04965	11.0
95.08604	15.5
97.02888	2.5
97.06528	10.0
98.98465	100.0
99.04466	6.1
99.08117	1.8
100.98847	1.7
105.07024	19.5
107.04947	5.0
107.08595	13.5
109.06511	19.8
109.10135	6.4
111.04466	1.9
111.08094	5.3
113.05999	2.4
115.05456	1.8
116.99504	5.1
117.07005	2.8
119.08575	14.0
120.08126	1.3
120.48356	1.1
121.06503	47.6
121.10145	5.1
123.04423	3.6
123.08072	5.3
123.11712	2.1
125.06027	2.7
127.07569	7.6
127.11174	1.3
128.06213	2.0
129.06999	4.0
130.07693	1.1
131.08556	5.2
133.06482	3.8
133.10133	7.6
135.04405	5.9
135.08023	7.5
135.11690	1.9
137.05974	3.0
137.09624	2.7
139.07526	9.8
141.05455	3.1
141.06981	1.5
142.07802	3.5
143.08546	5.1
145.06441	1.5
145.10126	4.8
147.08011	2.7
147.11682	16.2
149.09593	3.5
149.13199	1.1
151.07539	2.6
151.11214	1.8
151.75177	1.2
154.29500	1.1
155.08533	2.2
155.10660	1.2
156.09372	3.2
157.10141	10.4
159.08072	1.4
161.05997	1.5
161.09581	2.1
161.13260	8.3
163.03851	5.6
165.07048	3.2
165.12807	3.0
166.07703	1.3
167.10606	1.7
171.11681	9.0
175.11142	12.5
179.07030	1.3
179.08488	1.5
181.08615	1.5
181.10106	4.8
189.09172	2.3
189.12769	10.9
193.12267	8.0
197.11731	2.3
199.11157	16.2
207.13773	6.4
211.11240	1.4
211.14812	1.7
217.08824	2.4
217.12222	34.1
235.09692	6.1
235.13268	16.1
235.16982	3.0
253.08470	2.2
253.14320	4.6
253.16154	2.7
253.18018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39772	0.5
55.01863	1.0
55.05502	1.3
55.21167	0.5
56.96559	3.8
57.03425	1.3
57.07071	1.5
58.19537	0.5
60.04515	1.5
61.02927	0.7
67.05490	1.6
69.03419	2.4
69.07055	1.5
70.06583	2.2
71.56758	0.6
71.57164	0.8
71.57529	0.5
72.08139	0.6
73.02901	0.5
73.06547	1.6
79.05505	1.1
81.03416	1.4
81.07048	1.6
83.06097	0.8
83.73996	0.5
84.08138	1.0
85.02897	6.5
91.05492	1.7
93.07011	1.1
95.04958	0.8
95.08598	1.8
97.02898	3.0
98.98460	100.0
99.04444	0.7
100.98885	1.6
103.05433	2.5
105.07041	1.2
107.04934	1.6
107.44509	0.5
109.02924	0.9
109.10140	1.1
110.07166	3.2
113.38557	0.5
116.98656	1.3
116.99498	5.3
119.04919	0.6
120.08099	29.4
121.06488	0.7
121.07565	0.5
121.17007	0.5
123.04467	1.4
127.03903	1.5
128.58144	0.5
134.99649	1.4
136.07571	0.9
137.05991	0.7
139.03874	0.7
140.00983	1.0
141.05450	1.2
145.04933	0.8
146.99588	1.0
147.04420	0.9
149.05943	0.8
150.05472	0.9
153.01886	0.9
156.40825	0.5
161.01172	1.2
162.05379	0.7
163.03923	0.8
164.04782	0.5
166.05060	2.4
166.08653	1.1
168.04570	0.5
174.99239	1.5
176.98969	1.4
177.00723	0.8
179.07050	0.7
194.09126	0.8
195.11279	1.0
197.11729	2.3
211.07245	0.7
235.07047	0.5
249.02823	1.0
253.08467	1.2
253.12267	2.2
253.15648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
51.98052	0.7
53.03942	1.3
55.01878	3.7
55.05507	7.9
56.96560	1.3
57.03428	2.4
57.07062	3.5
58.07333	0.8
59.05012	1.0
65.03924	0.9
67.05499	16.8
69.03426	3.7
69.07067	14.7
70.63026	2.4
71.04990	7.2
79.05483	16.4
81.03431	1.2
81.07049	27.2
83.04962	5.1
83.08600	5.5
85.02869	1.1
85.06538	5.4
91.05470	12.1
93.07040	24.9
95.04962	8.1
95.08595	17.5
96.03178	0.8
97.02918	1.0
97.06521	12.5
97.10164	2.4
98.98459	100.0
99.04465	4.3
99.08103	1.1
100.98867	1.5
101.06005	2.0
103.05491	0.9
105.07021	13.6
107.04954	2.7
107.08593	13.9
109.06512	9.5
109.10150	10.4
111.08086	2.9
113.05987	1.0
115.05418	1.2
116.99492	5.5
117.07023	1.6
119.04937	1.1
119.08569	9.7
121.06490	22.0
121.10144	6.5
123.04473	1.1
123.08057	4.0
123.11711	3.2
125.05997	1.5
125.09641	1.8
125.84808	0.7
127.07548	5.6
128.06207	1.1
129.07004	2.9
131.08563	3.2
133.06500	1.8
133.10121	10.8
134.99649	0.7
135.04385	1.0
135.08055	5.5
135.11685	6.2
137.06010	0.8
137.09633	2.4
139.07541	5.8
140.01097	1.3
141.05453	1.4
141.06958	0.8
142.07790	1.7
143.08517	4.1
145.06447	1.2
145.10143	3.8
147.08047	2.9
147.11674	10.7
149.09525	0.9
149.13275	1.8
151.11194	3.0
153.09114	0.9
153.12703	1.0
155.08521	1.6
156.09326	1.3
157.10088	6.7
159.08051	1.1
159.11646	1.5
161.09654	1.0
161.13251	4.4
165.07011	1.6
165.09169	1.1
165.12746	3.6
166.07872	1.3
169.10089	1.8
171.11665	5.4
173.09538	0.9
174.99272	1.0
175.11176	7.6
175.14789	1.4
176.98880	1.2
177.16443	0.9
181.10147	1.6
183.11804	1.0
189.12743	9.8
193.06615	0.9
193.10420	0.9
193.12131	3.7
197.11685	1.8
197.13330	1.7
199.11166	7.4
207.12033	1.1
207.13806	5.0
217.08833	0.8
217.12219	19.9
217.15723	1.1
217.19545	1.3
235.13228	17.8
235.16862	1.6
235.20619	2.6
253.08711	2.2
253.11967	1.7
253.14137	8.1
253.18219	0.7
253.19690	1.5
253.21703	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1181
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.05513	0.7
56.96560	1.8
57.07079	2.4
60.04525	28.0
67.05499	1.2
69.03416	1.3
69.07071	0.7
70.06604	1.0
70.82871	1.5
71.05000	1.1
72.99728	0.5
73.29071	0.4
78.89285	0.4
79.05473	1.3
81.07051	2.7
87.05577	1.2
91.05482	1.8
93.07069	1.4
95.04961	1.2
95.08598	1.3
97.02906	1.2
98.21348	0.5
98.59953	0.4
98.98463	100.0
100.98880	1.4
103.05455	2.1
105.07014	1.0
107.04950	0.7
109.06516	0.4
109.10150	0.7
110.07183	0.6
110.09735	0.5
116.98676	1.1
116.99481	5.8
117.06995	0.6
120.08102	46.9
121.08445	1.2
123.04423	0.7
131.04909	1.7
132.08139	0.7
133.06500	0.7
134.99693	0.7
136.07526	0.5
140.01106	0.9
141.05484	1.2
144.08052	1.0
146.99606	0.6
147.04359	0.8
149.05963	1.2
151.11180	0.5
153.01886	1.4
159.02927	0.9
162.09155	1.0
166.08635	24.6
174.99243	1.5
175.07747	0.5
176.98952	0.9
179.10707	0.7
197.11708	2.1
207.11296	5.8
219.05090	1.5
235.10835	1.4
253.11961	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01871	1.4
55.05513	1.3
56.96548	1.8
65.56582	1.1
66.73990	1.0
67.05490	2.2
68.68760	1.0
69.07050	1.5
70.82812	2.6
74.22657	1.0
79.05496	3.6
80.54401	1.2
81.03423	1.4
81.07045	3.0
87.00819	1.8
88.03980	2.6
90.33535	1.2
91.05457	4.4
92.05817	1.2
93.07044	4.7
94.07344	2.1
95.04969	1.7
95.08607	2.4
98.98462	52.2
103.05448	8.7
105.07025	3.8
106.07360	1.6
107.04947	2.6
107.08574	1.4
109.02861	3.0
115.70161	1.2
116.98642	1.7
116.99487	2.7
118.06544	10.5
120.08102	100.0
121.06523	1.5
127.03867	1.3
128.06319	1.0
131.04884	1.2
131.08534	2.1
132.08932	2.3
133.10146	1.7
134.10493	1.5
134.99631	1.2
136.06207	6.2
138.09103	2.1
143.08275	1.1
144.08852	1.5
146.05989	18.3
146.10463	3.4
147.06316	2.2
149.01163	1.3
158.10533	1.6
160.12038	4.6
161.05951	2.1
162.10014	2.3
166.08620	2.7
170.10475	1.7
178.05019	1.2
178.12221	1.7
188.07031	13.8
188.11493	2.8
192.06575	1.6
193.08620	1.3
204.11037	1.5
205.98805	1.3
206.08107	48.3
207.08534	1.2
216.10953	1.8
234.11954	3.3
252.12897	12.7
252.23285	1.9
255.12117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.05498	1.6
63.83712	1.4
67.05495	3.7
68.71316	1.2
69.03428	1.6
69.07055	3.4
70.06584	2.5
71.34748	3.1
72.08153	2.0
72.31906	1.5
79.05495	17.9
81.07050	4.9
83.04975	2.3
83.08614	1.7
84.08144	3.1
87.00832	4.5
91.05479	4.8
92.96935	1.3
93.07034	5.4
93.77695	1.3
94.06538	1.5
95.04952	1.8
95.08595	5.8
96.08105	7.0
97.08940	1.8
97.27513	1.4
98.98463	54.2
103.05474	8.8
104.03461	28.2
105.07017	3.9
106.06555	15.7
107.04952	56.3
107.08591	4.8
109.06535	3.0
109.10167	7.3
112.07591	1.4
116.99526	5.3
118.06557	8.2
118.07245	2.0
119.08567	2.5
120.08103	100.0
121.06503	2.2
121.08413	1.4
121.10130	5.3
122.09648	2.3
123.08022	2.8
123.79457	1.4
124.11171	1.5
125.05965	1.9
128.04958	2.0
131.04922	13.8
131.08514	2.0
133.10081	2.5
136.06169	11.8
143.08488	1.5
145.10094	2.0
146.06003	18.9
147.11653	1.7
148.07474	2.2
149.05975	3.8
149.09619	1.9
149.13379	1.4
163.11243	1.4
173.13234	1.6
188.07030	17.5
191.14348	1.6
192.06572	11.2
194.15390	2.8
206.08121	51.9
216.17523	2.1
234.07675	1.5
234.15166	2.1
234.18558	5.9
252.12253	1.9
252.14430	2.0
252.19604	21.0
273.85635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03932	1.2
55.01855	1.5
55.05508	6.6
56.96558	0.9
57.03418	0.7
57.07069	1.9
61.25558	0.4
65.03954	0.9
67.05504	22.0
69.03432	1.0
69.07070	5.8
69.77928	1.3
69.78342	1.2
71.04981	1.8
71.08634	0.4
79.05492	13.6
81.03404	1.3
81.07056	26.6
82.35410	0.4
83.04989	1.3
83.08614	2.3
85.02951	0.5
85.06544	1.1
87.04443	0.4
91.05481	9.1
91.34095	0.4
93.07041	22.7
95.04961	3.6
95.08606	23.2
97.06554	2.4
97.10152	2.3
98.21428	0.6
98.98465	100.0
99.04440	1.0
105.07029	4.6
107.04937	0.6
107.08591	13.4
109.05828	0.5
109.06478	3.0
109.10155	12.7
111.08091	0.9
111.11694	0.5
113.06002	0.5
115.05486	0.8
116.98676	0.9
116.99491	5.7
117.07024	3.2
119.04958	0.9
119.08582	3.9
121.06498	4.5
121.10147	10.0
123.04485	0.6
123.08084	1.6
123.11710	6.2
125.05965	0.8
125.09688	1.0
127.07547	0.5
129.07011	0.5
131.08577	4.5
133.10126	3.7
134.49783	0.4
135.08069	5.3
135.11687	5.9
137.05983	1.1
137.09644	1.9
137.13266	2.7
139.07571	1.2
140.01082	1.2
142.51787	0.4
143.08559	1.1
145.10126	5.2
147.11714	1.8
149.05995	1.2
149.09618	3.6
149.13251	2.4
151.11217	0.8
153.08015	0.4
153.09100	2.3
155.10727	0.5
155.28816	0.4
157.10115	0.5
159.11688	3.6
161.05988	0.8
161.13266	0.5
163.11194	3.0
167.10681	1.8
173.13293	1.9
174.99237	2.2
177.05545	0.6
177.09142	0.5
177.12764	1.9
181.10120	0.5
181.12230	1.8
187.11179	1.2
187.14769	1.0
189.16383	0.8
191.10658	0.7
191.14270	0.9
191.17924	5.4
195.12085	0.4
195.13774	2.4
205.08688	0.5
205.12268	0.8
205.16029	0.9
205.19492	0.7
209.13358	0.4
209.15356	0.6
215.10880	0.7
215.14491	0.7
215.17929	4.4
229.07484	1.1
233.15425	1.4
233.18991	4.5
247.08554	1.5
251.10609	0.7
251.12743	1.7
251.16103	2.4
251.20084	8.5
257.58084	0.4
269.12524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
55.05492	3.1
57.07072	1.1
67.05502	19.8
69.07063	2.1
69.38945	7.4
69.39365	2.0
77.54549	0.9
79.05496	7.4
81.07056	45.2
91.05450	1.9
93.07041	7.8
95.04943	1.3
95.08604	28.5
97.06555	1.3
98.98464	100.0
105.06997	1.5
107.08596	4.0
109.10155	11.3
116.99527	6.2
119.08590	1.9
121.10105	4.4
123.08039	1.3
123.11686	2.6
131.08569	2.1
135.11716	3.2
140.01096	1.2
145.10121	2.8
159.11688	1.6
163.11234	2.2
164.38722	0.9
174.99245	2.4
177.16281	1.5
201.16356	5.1
216.16641	0.9
219.17416	4.0
251.04735	1.0
251.20117	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Diisopropyl phthalate
Peak:m/z	Relative Intensity
50.40567	0.3
53.03944	0.4
55.01870	0.8
55.05497	1.8
56.96577	0.5
57.07073	0.8
59.04969	0.3
67.05498	4.9
69.03413	0.8
69.07064	2.0
71.04998	2.0
71.57580	0.5
77.03916	0.3
78.38032	0.3
79.05486	2.2
79.46920	0.4
81.03410	0.8
81.07050	3.9
83.04975	0.7
83.08617	0.9
85.06525	0.5
91.05477	1.5
93.07034	2.5
95.04955	2.4
95.08595	5.7
97.02868	0.4
97.06516	0.7
97.10150	0.5
98.98462	59.7
99.04493	0.3
105.03394	1.2
105.07024	2.2
107.04938	1.3
107.08587	1.9
109.06542	1.6
109.10131	1.4
111.04395	0.4
111.08075	0.6
116.98721	0.5
116.99490	3.0
117.06986	0.7
119.08559	1.4
121.02848	0.3
121.06493	1.3
121.10116	2.0
123.04424	5.1
123.08030	0.6
123.11719	0.6
125.05949	0.5
131.08563	1.1
133.06435	0.4
133.10126	0.6
135.04387	0.4
135.08009	0.9
135.11690	0.9
137.05945	0.9
137.09624	0.6
137.13347	0.3
139.03903	1.3
139.07535	0.4
140.01076	0.5
143.08540	0.4
145.10139	1.4
147.08066	0.6
147.11678	0.5
149.02316	5.3
149.05952	0.7
149.09607	0.7
151.03894	100.0
152.04285	1.2
155.08521	0.4
157.10211	0.3
159.11642	0.7
161.13228	0.3
163.03854	0.6
163.07544	1.7
163.11176	1.3
165.05539	2.7
165.06866	0.5
167.03400	11.0
168.06767	0.3
169.04971	0.5
171.11667	0.3
173.09578	0.4
173.13153	0.4
174.99225	1.2
177.05495	1.8
179.14409	0.5
181.12175	0.6
187.11238	0.9
187.14734	0.5
191.07030	2.5
191.10690	0.4
193.08583	0.3
205.12160	0.4
209.13184	0.5
215.14246	0.3
223.17004	0.4
233.11710	6.8
233.15331	1.2
251.07008	0.4
251.12680	5.9
251.16122	1.9
251.20042	1.0
251.23874	0.5
267.95926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
53.20365	0.6
55.01859	1.9
55.05493	2.7
56.96560	1.9
57.07061	1.1
59.05008	1.1
67.05502	6.0
69.03419	2.9
69.07078	3.4
71.04975	3.9
71.57599	1.4
79.05489	9.6
81.03433	0.9
81.07054	21.4
83.04978	2.5
83.08602	1.7
85.02892	1.2
85.06541	2.1
91.05487	8.4
93.07037	12.7
95.04970	6.3
95.08601	6.6
96.14002	0.7
97.02897	2.2
97.06524	5.8
98.06840	0.8
98.98463	100.0
99.04453	3.1
105.07029	9.4
107.04952	2.5
107.08598	7.8
109.02901	1.2
109.06515	13.6
109.10162	2.7
111.04485	1.2
111.08057	1.7
113.06000	0.9
115.05453	1.1
116.06231	0.9
116.98628	2.4
116.99511	4.7
117.03393	1.4
117.07002	3.4
119.04947	4.2
119.08587	4.5
121.06499	6.3
121.10152	4.3
123.04407	1.0
123.08055	2.7
123.11747	0.8
125.05986	3.8
125.09664	1.0
127.07541	1.1
129.06981	1.8
130.07780	1.7
131.08551	5.4
133.06512	2.2
133.10138	3.2
134.99631	1.2
135.04405	0.9
135.08064	2.6
135.11690	4.6
137.05978	12.5
137.09575	1.6
138.06314	0.7
139.07498	1.4
141.06908	0.9
143.08548	1.5
144.09366	2.1
145.02840	1.7
145.06474	2.0
145.10121	15.1
147.08022	1.6
147.11681	1.5
149.05919	1.3
149.09601	2.0
149.13170	0.9
154.07849	0.9
157.12105	0.7
158.07295	1.5
159.08037	1.7
159.11697	7.8
161.05959	1.4
161.09692	1.1
163.03915	2.5
163.07541	0.8
163.11163	8.3
165.09109	0.7
166.61015	0.7
167.10765	0.7
169.10173	2.6
171.11708	2.0
173.09625	5.2
173.13251	0.9
174.99225	2.8
175.11156	0.8
177.05515	2.5
179.08629	1.1
181.12207	3.9
187.11209	12.1
187.14865	0.9
191.08784	0.9
191.10655	4.0
195.59322	0.7
197.09587	2.5
201.24062	0.8
205.12244	4.6
207.09860	0.8
215.10693	9.6
233.08153	1.5
233.11742	5.6
233.15381	2.5
234.12079	1.3
251.09114	1.2
251.12610	4.7
251.16478	2.0
251.20111	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
54.48830	0.8
55.01862	2.6
55.05518	6.1
56.96557	1.1
57.03428	0.8
57.07067	1.4
59.04985	1.1
59.71550	0.8
65.03918	1.1
67.05502	16.9
69.03417	4.5
69.07069	7.6
70.76425	2.4
71.04996	8.2
74.41871	0.8
79.05064	1.6
79.05490	19.4
81.03412	2.5
81.07053	42.5
83.04987	4.3
83.08603	2.8
84.93631	0.9
85.02892	0.9
85.06535	4.0
91.05479	13.4
93.06477	1.5
93.07043	27.0
93.07633	1.5
95.04967	11.6
95.08598	15.7
97.02869	2.3
97.06519	6.4
98.98465	100.0
99.04421	5.1
99.08099	0.9
101.06013	1.4
103.05482	1.4
105.07031	16.8
107.04952	7.6
107.08592	16.3
109.05799	1.3
109.06519	23.9
109.10155	8.8
111.04443	9.9
111.08035	2.5
113.05986	2.3
115.05398	1.9
116.98680	1.4
116.99490	3.9
117.07049	4.8
119.04945	6.2
119.08580	10.6
121.06497	12.5
121.10148	7.9
123.04467	1.5
123.08054	2.7
123.11688	3.4
125.05980	3.9
125.09612	4.6
127.07528	2.1
129.06990	1.9
130.07748	2.3
131.08566	7.4
133.06491	3.2
133.10115	2.8
135.04387	1.6
135.08047	6.9
135.11681	9.5
137.05980	24.2
137.09619	4.5
137.13228	1.3
138.06297	1.3
139.07480	2.1
139.11145	1.3
140.01064	1.0
141.06970	1.5
143.08542	1.8
144.09366	1.3
145.06503	4.3
145.10120	22.6
147.08044	3.6
147.11664	3.4
149.05988	1.7
149.09587	2.5
149.13234	2.3
151.07532	1.0
153.12761	1.5
154.07756	1.3
155.08528	1.4
157.06454	0.9
157.08617	1.3
158.07262	2.1
159.08063	2.8
159.11659	9.3
161.09589	1.4
161.13199	1.1
163.07512	2.4
163.11169	14.2
165.09122	1.3
167.07042	1.0
167.08403	1.0
167.10635	1.3
169.10129	2.6
171.11644	1.6
172.08928	0.9
173.09622	7.4
173.13284	1.3
174.99249	2.3
177.12767	1.6
179.07034	1.0
179.08556	1.9
181.12236	8.0
182.07298	1.8
187.11180	16.0
187.14862	1.7
191.08698	1.0
191.10646	5.4
191.17818	1.0
197.09634	5.4
205.12224	6.7
205.15929	0.9
215.10655	15.7
215.14189	1.0
215.17915	1.8
223.02800	1.5
223.16968	2.7
227.12663	0.9
233.11710	8.9
233.15352	2.1
233.19016	1.4
236.08209	1.1
251.10690	1.5
251.12914	4.5
251.16272	6.0
251.20125	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
56.05008	0.9
56.96560	1.2
57.03410	1.4
62.96144	0.8
66.78638	0.7
69.03437	3.5
70.06573	3.0
71.57493	1.4
74.06075	1.2
79.05482	1.3
83.04958	0.7
84.04494	1.1
85.02904	10.5
88.07624	45.7
97.02879	1.6
98.98459	100.0
100.08373	0.7
109.02862	1.5
116.89759	0.7
116.99496	6.0
119.04876	1.1
127.03919	1.0
131.08554	0.9
140.01039	0.8
163.03908	0.7
174.99202	1.9
177.05516	1.5
177.07819	1.8
205.04964	0.9
206.11752	7.1
208.11665	0.7
250.14575	1.5
250.21741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
55.01850	3.0
55.05502	2.1
57.03431	0.9
57.07072	0.9
60.04521	1.2
65.03938	0.7
67.05499	6.7
69.03419	3.0
69.07054	1.3
70.31772	0.7
70.84984	2.2
71.04976	2.0
73.02895	2.2
73.05756	0.7
79.05476	6.4
81.03403	1.7
81.07058	8.1
83.04961	2.9
85.02897	0.9
88.03983	3.8
91.05483	14.7
93.07043	8.7
94.06564	3.8
95.01345	0.8
95.04984	4.5
95.08592	3.1
97.06538	1.5
98.98463	79.8
99.04444	1.4
103.05473	2.0
105.07028	21.5
107.04961	2.6
107.08600	4.4
109.02867	1.4
109.06496	2.2
109.10146	2.1
115.05448	2.8
116.06252	1.1
116.99496	3.0
117.07015	12.3
119.04922	1.8
119.08575	13.1
120.04422	1.2
120.08096	2.8
120.09361	0.9
121.06488	3.4
121.10126	2.9
123.04433	1.8
123.08070	1.8
125.09618	1.0
127.03898	2.8
128.06213	8.3
129.07001	7.0
130.05028	1.2
130.07779	2.3
131.04877	4.0
131.08562	21.3
132.05753	0.9
133.06500	5.5
133.10127	16.5
135.08066	1.1
135.11690	2.7
136.07664	0.8
137.05949	2.1
141.06969	4.3
142.07811	4.5
143.08559	29.6
144.09320	3.4
145.06497	8.6
145.09035	1.4
145.10124	16.9
146.06004	9.5
146.07169	1.0
147.08063	4.6
147.11699	5.0
149.09621	5.2
153.06917	1.0
154.07791	4.7
155.08514	3.0
156.09334	1.2
157.06471	0.8
157.10100	12.7
158.04498	1.1
158.07196	1.2
159.08128	5.1
159.11688	26.2
161.05905	1.0
161.09608	11.5
161.13228	1.8
163.11171	1.8
167.08539	1.2
169.10110	13.1
171.08118	1.0
171.11678	5.2
172.08821	1.6
173.05971	1.0
173.09622	9.1
174.05511	4.3
174.99242	2.7
175.11162	7.8
177.05481	2.3
177.09087	1.0
177.12686	1.0
185.09628	7.6
187.07471	1.0
187.11179	23.4
189.12781	5.7
191.06992	1.2
191.10655	6.4
192.06537	1.5
197.09549	2.3
203.10660	9.3
205.12183	3.8
206.08134	1.1
215.10692	12.5
220.10980	1.6
221.11716	11.6
233.11711	25.4
234.12067	1.7
251.12784	100.0
251.19989	2.0
252.13019	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03941	5.5
55.01853	1.5
55.05498	6.9
65.03951	2.9
67.05171	3.1
67.05502	35.3
69.07059	5.7
71.58219	1.8
71.58561	1.9
72.64649	1.6
79.05491	71.2
81.03401	3.5
81.07052	20.4
83.08599	3.3
85.06531	3.9
91.05477	51.5
93.07039	100.0
94.07358	2.5
95.04973	13.6
95.08606	18.1
97.06548	1.8
97.10144	2.2
103.58971	1.7
105.04532	1.9
105.07030	14.9
107.04972	5.3
107.08587	39.8
109.06496	2.4
109.10111	3.6
117.07018	5.1
119.08570	19.7
121.06527	5.4
121.10139	60.1
123.08083	3.5
129.07011	4.2
131.08551	9.6
133.10118	27.3
135.08055	6.6
135.11687	13.6
137.09595	2.7
143.08549	3.0
144.30626	1.7
145.10071	3.4
147.07971	1.9
147.11658	3.7
149.05980	4.0
157.10124	6.3
161.09677	3.5
171.11687	3.0
173.13261	4.1
175.11221	2.1
175.14790	10.6
179.03355	2.5
189.12584	1.8
189.16347	5.1
193.08656	2.0
199.14812	13.5
207.02925	2.3
217.15916	12.3
233.15405	2.2
249.03827	1.9
249.14761	3.9
249.18509	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2211
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
52.46728	1.9
53.03706	3.0
53.03941	32.6
55.01854	8.8
55.05508	49.0
57.07077	10.4
59.04994	3.4
65.03914	2.5
67.05499	72.7
68.05818	1.8
68.64406	1.7
69.03419	2.1
69.07066	52.0
71.04977	4.0
71.08607	4.5
71.10358	2.8
71.10702	3.9
79.05061	2.9
79.05486	37.1
81.03413	100.0
81.06595	4.0
81.07051	73.1
83.04977	23.9
83.08626	11.8
85.06529	3.3
85.10162	3.7
91.05468	22.0
93.07040	31.2
93.18983	1.9
95.04961	49.1
95.08597	33.6
97.06500	8.0
97.10156	11.8
105.07016	21.8
107.04958	4.1
107.08582	23.8
109.06516	16.9
109.10144	21.3
112.62957	1.7
113.09629	2.0
117.06969	3.4
119.08580	13.0
121.06499	5.1
121.10146	18.1
123.08047	6.4
123.11673	8.8
125.09637	3.5
131.08571	2.4
133.10136	19.4
135.08034	1.9
135.11659	9.5
137.05981	2.1
137.09602	2.8
137.13237	3.4
147.11664	8.1
149.13252	7.0
151.11171	50.6
153.12738	3.3
161.13237	7.2
163.14822	3.4
165.12766	15.7
166.82614	2.2
175.14748	4.2
177.16382	3.3
179.14278	9.4
189.16376	3.3
191.17790	3.0
193.12309	2.5
193.15860	3.6
231.21045	10.9
249.03897	3.9
249.14851	2.8
249.18529	11.0
249.22116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03932	4.0
54.72815	1.6
55.01868	3.2
55.05508	18.3
56.96552	2.8
57.07058	2.8
58.60637	1.4
59.04970	1.6
62.64261	1.4
63.98125	1.3
65.03931	2.2
67.05180	2.9
67.05504	41.6
69.07076	14.1
70.09613	4.6
71.04971	2.1
73.06544	3.6
79.05490	84.9
80.05846	2.4
81.03439	3.0
81.07052	33.0
83.04951	2.0
83.08608	5.3
85.06546	6.3
91.05478	46.9
93.07041	100.0
94.07410	1.5
95.04966	14.4
95.08603	31.2
97.06497	1.9
97.10143	3.7
99.08051	2.2
103.05495	1.9
105.04551	2.5
105.07027	27.7
107.04945	9.8
107.08588	51.1
108.34736	1.4
109.06549	6.9
109.10152	10.2
111.08047	1.8
115.05473	2.3
117.07022	7.6
119.04993	1.7
119.08576	31.0
121.06516	7.7
121.10139	86.8
122.10448	2.5
123.08092	3.2
123.11693	1.5
125.09632	2.6
129.06989	4.9
131.08568	11.5
133.06511	2.4
133.10127	24.9
135.08070	7.3
135.11690	20.8
137.09599	4.2
143.08572	5.7
145.10066	4.8
147.08011	2.5
147.11681	9.9
149.09590	4.2
149.13223	3.1
151.11176	3.3
153.09071	1.7
157.10168	5.5
159.11731	2.3
161.09561	4.4
161.13208	2.9
167.10667	1.8
171.11710	4.2
173.13214	2.8
175.11176	4.0
175.14836	8.7
179.03360	2.0
185.13333	2.0
189.12712	3.6
189.16397	10.2
199.14813	9.7
207.02988	6.2
207.13585	1.8
213.16374	4.0
217.15912	8.9
231.13763	2.7
249.03925	5.1
249.14799	9.3
249.18510	39.2
249.22141	4.1
250.18832	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
53.03926	11.6
53.99657	2.8
55.01872	14.7
55.05521	18.4
56.96556	7.1
57.07061	4.7
65.03944	4.7
67.05507	35.6
69.03419	7.5
69.07047	13.0
71.01322	4.5
71.58244	3.9
79.05075	6.0
79.05495	75.2
81.03417	39.2
81.07059	40.8
82.40672	2.9
83.04966	7.5
83.08598	7.4
85.06534	4.3
91.05478	64.1
93.07049	47.7
95.04977	34.0
95.08614	24.4
97.06522	8.7
103.05437	6.4
105.07040	40.0
107.04955	58.4
107.08620	20.6
109.06501	12.0
109.10143	9.2
111.04462	4.5
115.05414	5.0
117.07001	23.1
119.04933	13.0
119.08608	24.2
120.05703	4.2
121.06503	45.6
121.10137	20.6
123.04390	5.5
123.08056	13.1
125.05974	4.7
128.06216	8.2
129.06995	25.1
131.08563	18.7
133.06496	20.5
133.10172	14.9
135.04375	5.5
135.08032	18.1
135.11678	9.7
137.06010	7.0
141.06964	3.5
143.08554	19.6
145.06500	5.2
145.10080	9.0
145.26913	3.2
147.08052	19.2
147.11703	7.3
149.05919	3.4
149.09608	10.1
151.03899	8.6
151.07524	4.9
157.06416	7.1
157.10176	5.7
159.08096	6.8
159.11707	5.8
161.09613	6.0
161.13258	7.6
163.11136	7.6
169.10155	4.0
171.11748	7.1
175.11266	3.2
175.14886	6.1
177.12735	3.1
179.03403	3.7
185.13269	17.3
187.11179	8.6
195.11772	4.3
203.14264	30.8
205.12257	6.6
207.02841	3.6
213.12706	14.1
220.25046	3.5
231.13811	30.7
249.03935	7.1
249.11185	7.0
249.14835	100.0
249.18478	14.7
249.22032	3.0
267.09167	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	4-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
Peak:m/z	Relative Intensity
53.03931	12.2
55.01860	11.1
55.05505	23.8
56.96552	9.0
57.03436	4.9
57.03750	3.4
57.07063	5.4
65.03925	6.5
67.05502	40.1
69.03425	6.8
69.07054	16.7
70.02957	10.6
70.03370	14.2
71.04971	5.1
77.52473	3.6
79.05492	100.0
81.03410	35.1
81.07056	37.6
83.04967	6.1
83.08611	11.0
85.06510	5.9
91.05472	54.2
93.07039	76.1
94.77354	3.9
95.04971	33.8
95.08600	31.3
97.06529	4.8
98.21547	5.8
103.05450	5.3
105.04458	5.3
105.07027	39.8
107.04950	78.2
107.08577	58.9
109.06503	12.2
109.10133	12.7
115.05458	6.2
117.07005	15.6
117.52826	3.7
119.04910	8.5
119.08587	24.7
120.05632	5.7
121.06491	30.9
121.10139	46.2
123.04430	11.0
123.08071	8.6
125.05947	5.9
128.06209	4.9
129.06982	8.8
131.08569	17.7
133.06511	11.3
133.10139	14.6
135.08032	9.8
135.11679	19.0
137.05931	5.3
137.09587	5.6
143.08542	17.6
145.10101	9.9
147.08025	12.0
147.11649	11.7
149.09560	4.4
151.03870	7.8
157.10091	5.8
159.07970	4.7
159.11682	6.0
161.09657	5.8
163.11218	5.0
171.11650	10.3
174.77692	3.7
175.03917	5.0
175.11101	4.4
175.14807	5.5
179.03369	5.9
185.13268	12.3
189.12758	3.9
189.16281	4.9
195.11725	4.3
203.05771	4.8
203.11000	4.5
203.14293	16.1
207.02873	16.1
207.13664	5.5
213.12671	9.2
221.04327	4.6
231.13818	20.7
247.44986	4.3
249.03964	14.0
249.11115	12.9
249.14783	70.8
249.18474	46.5
257.72992	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
50.69473	0.9
51.15416	0.9
53.03941	3.2
55.01858	3.2
55.05509	2.6
55.75327	1.0
59.04990	1.3
65.03921	1.3
67.05502	7.1
69.03413	4.9
69.07055	4.3
70.52213	3.8
70.94501	0.9
71.01353	1.2
71.04971	1.6
79.05492	15.6
81.03422	4.1
81.07054	67.3
83.04975	2.3
85.02894	5.9
85.06523	1.4
91.05478	47.4
93.07048	10.1
95.04945	5.1
95.08595	8.1
97.02887	2.9
97.06529	29.0
99.04465	1.9
103.05485	1.9
105.07024	14.2
107.04955	6.2
107.08588	18.7
109.02834	1.3
109.06515	4.5
109.10155	2.8
115.05448	4.4
116.06230	6.0
117.06993	4.8
119.04955	2.5
119.08587	12.8
121.06490	3.8
121.10155	4.2
123.04414	1.9
123.08062	2.8
127.03925	3.5
128.06210	5.5
129.06992	17.4
130.07753	1.7
131.08559	100.0
133.06477	4.5
133.10107	7.6
135.04411	5.2
135.08028	3.2
135.11673	2.5
137.06006	2.8
137.09583	1.4
139.07571	1.0
141.07007	3.2
142.07788	4.1
142.23909	1.0
143.08580	5.1
145.06505	3.3
145.10117	10.6
146.07269	1.2
147.04439	2.3
147.08058	10.2
147.11678	2.2
149.09648	1.7
151.03867	2.0
151.07596	3.0
153.05394	1.2
157.06491	9.1
157.10117	5.7
159.08051	8.0
159.11728	4.2
161.05988	2.6
161.09651	3.1
161.13266	1.9
163.11134	1.1
168.33279	1.0
170.07254	2.3
171.08022	4.0
171.11748	2.4
172.05191	2.0
173.06024	1.2
175.07545	29.8
175.11163	3.1
179.03371	1.9
185.13243	6.1
187.07562	4.1
187.14764	1.6
189.05432	2.6
189.09172	5.9
189.16374	2.7
193.04955	1.1
193.08589	2.5
203.03256	1.2
203.06950	2.1
203.10687	2.2
203.14337	4.1
204.07730	2.4
207.02963	2.9
213.09276	1.3
213.12727	5.5
213.16389	1.7
217.08577	1.3
231.10173	3.0
231.13800	11.6
231.17409	1.9
249.03976	6.5
249.08762	1.6
249.11176	20.7
249.14758	8.3
249.18449	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	Heliannuol H
Peak:m/z	Relative Intensity
50.11904	1.8
53.03941	8.8
55.01862	11.8
55.05504	19.5
56.96561	4.4
57.03429	2.6
57.07074	3.2
64.29873	1.7
65.03929	5.3
67.05501	44.2
69.03408	7.1
69.07061	13.4
69.68060	3.4
69.68475	8.2
70.06548	2.1
71.04986	4.8
74.76623	1.7
77.03947	3.5
79.05487	100.0
81.03413	12.6
81.07051	38.5
83.04979	8.3
83.08603	7.6
85.06570	2.9
88.58469	1.7
91.05476	45.5
93.07037	43.5
95.04961	54.7
95.08600	24.7
97.06541	6.1
97.10165	8.3
98.21444	3.7
105.03384	17.6
105.04474	2.4
105.07023	32.0
106.59462	1.7
107.04942	30.0
107.08582	20.7
109.06509	8.5
109.10149	9.0
109.39121	1.8
115.05455	5.9
117.07021	16.3
119.04922	16.5
119.08566	17.2
121.06495	29.3
121.10122	12.2
123.04408	24.2
123.08067	6.2
125.09621	4.3
128.06224	7.4
129.07007	23.5
131.08560	17.1
133.06520	11.4
133.10123	9.6
135.04395	10.7
135.08037	6.0
135.11700	6.4
137.05968	4.3
137.09604	4.9
141.06946	4.4
143.08568	16.3
145.06497	5.5
145.10114	6.6
147.08029	10.7
147.11688	5.2
149.06001	4.1
149.09634	11.3
151.14549	2.1
153.09119	5.1
154.07771	2.3
157.06494	12.2
157.10162	4.5
159.08063	6.2
159.11711	2.5
161.06052	2.3
161.09602	5.1
167.08513	3.9
169.10139	3.1
171.08080	6.5
171.11647	7.4
175.11166	5.3
185.09630	2.1
185.13260	18.0
187.07544	3.0
187.11188	2.0
189.09019	3.8
189.12711	3.3
189.16325	2.6
195.11673	7.7
203.14267	12.5
205.12250	2.8
207.13795	2.3
213.12694	15.3
231.10107	3.8
231.13802	26.2
231.17406	2.3
249.03786	4.4
249.11095	13.5
249.14822	48.9
249.18523	9.4
249.22234	3.2
249.25153	7.3
250.15176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.05499	2.0
56.96555	2.9
57.03434	2.9
62.06075	2.1
69.03420	6.6
71.23962	2.7
71.24301	1.7
72.04515	18.6
79.05476	2.0
81.03413	4.8
81.07039	3.0
85.02918	9.5
86.09679	1.8
87.00825	2.3
91.05458	6.6
95.08598	1.6
97.02882	3.4
99.04454	2.9
101.02405	1.8
101.86472	1.5
105.01845	1.8
105.07014	4.9
109.02887	2.2
109.10170	1.7
115.05438	5.4
116.98615	2.0
117.05699	4.8
117.07005	5.3
118.05033	21.4
118.06533	39.0
119.04922	1.9
119.08530	2.2
127.03921	3.7
129.06998	2.2
130.06519	2.6
131.04979	1.7
132.08084	86.0
133.06482	2.4
134.99593	2.1
135.04376	4.7
136.06171	5.0
142.06552	2.9
143.07274	4.6
143.08466	1.5
144.08089	21.4
146.06001	88.0
147.04388	1.6
161.05902	2.7
161.09636	2.8
167.03526	1.7
170.06035	7.3
175.07530	2.0
188.07059	100.0
189.05458	4.5
203.11870	4.3
231.06572	2.5
231.13745	2.5
249.07449	3.6
249.12248	13.2
249.14702	2.9
249.18552	3.5
250.12909	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.56445	1.1
55.01862	2.0
55.05495	2.1
67.05478	3.9
69.03413	4.2
69.07053	1.9
69.53207	7.0
69.53638	3.6
72.82769	1.4
72.83305	1.2
79.05495	6.9
81.03409	2.7
81.07047	5.5
83.04974	1.3
85.02880	5.8
91.05467	17.5
93.07040	7.1
95.04939	3.7
95.08595	5.9
97.02884	3.1
97.06517	1.9
99.91159	1.5
103.05488	1.3
105.07043	8.2
107.04959	3.4
107.08582	4.8
109.06480	2.3
109.10167	3.0
115.05441	7.5
116.06228	5.6
117.07008	5.2
119.08607	6.1
121.06469	1.9
121.10138	6.1
123.04445	1.4
123.08060	1.8
128.06226	12.9
129.07010	28.5
130.07732	2.4
131.04950	3.6
131.08566	26.6
132.05736	2.0
133.06468	4.7
133.10117	7.2
135.04369	3.8
135.08017	2.0
135.11667	2.1
141.06990	14.2
142.07773	5.9
143.04906	1.7
143.08571	7.2
144.05716	12.3
145.06473	10.6
145.10126	2.9
146.07253	5.6
147.04370	3.3
147.08025	2.7
147.11655	3.9
153.06966	2.5
155.06027	1.4
157.06468	16.0
158.07298	2.5
159.08058	35.1
160.05208	1.7
161.05965	5.7
161.09612	12.2
169.06398	1.7
169.07610	2.7
170.07251	10.5
171.08011	10.2
171.11652	1.6
172.05156	4.8
173.05968	6.4
174.06731	3.0
175.07553	5.5
175.11124	1.6
178.06146	2.3
185.13356	2.0
187.07538	22.1
188.08397	1.5
189.05457	5.9
189.09090	13.5
189.16327	3.8
191.07033	2.9
198.06845	1.8
199.07516	2.2
201.05402	2.5
201.13196	1.3
203.07016	8.8
203.10706	1.4
203.14294	1.9
204.07845	15.3
205.08647	3.2
213.16292	1.5
216.07805	4.9
219.10078	2.2
221.11638	2.9
231.10158	7.8
231.13808	2.4
231.17477	2.5
249.11215	100.0
249.18427	8.5
250.11349	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.02391	0.8
53.03939	1.4
55.01854	2.5
55.05500	2.3
57.03411	1.6
60.84611	0.8
67.05494	4.8
69.03424	5.2
69.07064	2.0
71.04985	1.0
71.28695	1.3
72.67509	0.9
77.03937	1.1
78.14004	0.8
79.05125	1.0
79.05500	10.6
81.03420	4.2
81.07064	6.8
85.02904	4.2
85.06551	1.4
87.00821	1.9
91.05474	13.9
93.07035	5.1
95.04959	4.2
95.08616	5.1
96.00053	0.8
97.02870	3.0
97.06540	2.3
99.04443	1.6
105.01844	1.9
105.07026	8.6
107.04956	9.7
107.08586	3.6
109.06516	2.1
109.10145	1.8
111.71411	0.9
115.05476	7.3
116.06277	5.0
117.07015	8.0
119.04959	1.4
119.08590	4.7
121.06473	2.1
121.10140	2.9
123.08034	1.8
127.03922	2.6
128.06223	12.5
129.07005	26.7
130.07834	2.4
131.04913	3.4
131.08572	19.7
132.05734	1.9
133.06497	5.1
133.10117	6.1
135.04413	7.3
135.08054	2.1
135.11673	1.9
137.09564	0.9
141.06990	12.1
142.07774	6.9
143.04950	1.3
143.08588	5.8
144.05696	11.8
145.06494	11.3
145.10123	2.0
146.07240	3.8
147.04375	2.4
147.08040	2.4
147.11690	3.3
149.09570	1.2
151.03966	1.1
153.06979	2.5
155.06071	1.2
156.05675	3.0
157.06473	11.6
157.10158	2.2
158.07259	2.8
159.04393	1.8
159.08055	32.9
160.05196	2.9
161.05971	5.2
161.09644	9.3
161.13252	1.1
167.07021	1.2
169.06366	2.1
169.07626	2.4
170.07303	8.7
171.04391	1.4
171.08031	9.1
171.11760	1.3
172.05190	3.9
173.05960	6.0
174.06769	3.8
175.07510	4.3
175.11200	2.0
175.14708	1.4
178.06322	1.0
185.05972	1.6
185.09645	2.1
187.07547	21.0
187.14841	1.3
188.08252	1.4
189.05421	5.5
189.09145	12.4
189.16399	2.0
190.06223	1.9
191.06999	1.8
198.06795	1.2
199.07492	3.0
201.05479	1.8
203.07002	7.9
203.14340	1.1
204.07831	13.4
205.08635	2.2
206.09233	1.2
207.10028	1.2
213.16350	1.5
216.07748	4.4
217.04942	1.3
217.08675	1.6
218.09387	1.8
219.10094	2.8
221.07959	1.4
221.11742	3.9
231.10139	10.7
231.13785	1.3
231.17291	1.4
234.08965	0.9
249.11220	100.0
249.15225	2.9
249.18423	5.6
250.11501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0916
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
50.48273	1.2
51.11801	1.2
53.03713	1.6
53.03944	24.2
55.01874	7.1
57.03420	2.4
65.03943	3.1
67.05503	25.3
67.98816	1.4
68.05025	1.4
69.03417	7.2
69.07060	2.2
70.06596	2.8
70.47230	2.8
70.47630	2.9
79.05477	3.4
80.05000	5.4
81.03415	88.0
84.04500	3.1
84.08086	1.6
85.02911	7.6
87.00813	4.5
91.05473	2.4
93.07034	2.2
94.06547	5.9
95.04961	14.8
96.04475	2.4
97.02885	8.4
98.06039	7.0
99.04446	2.9
105.06999	1.9
107.08553	1.8
108.04473	23.0
108.08092	2.8
109.02873	16.2
110.06016	2.6
119.08556	2.4
120.08086	1.3
122.06030	18.0
122.09632	4.3
124.03950	4.5
124.07563	3.6
126.05525	11.2
127.03905	4.3
129.07045	1.9
130.06441	1.4
131.07326	3.2
131.08580	1.7
140.07053	26.5
146.09615	3.7
150.09073	4.0
152.07057	60.2
159.06802	1.6
164.07108	2.3
164.10728	6.4
167.03416	2.5
174.09160	5.8
176.07057	2.2
178.08633	13.3
192.10176	29.1
202.08525	6.6
206.08147	2.6
220.09668	45.4
230.08716	1.7
248.09178	100.0
248.16408	3.3
249.11327	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45823	1.5
53.03939	1.9
53.44811	1.4
55.01859	3.3
55.05508	19.8
56.67636	1.7
56.96557	2.4
57.07056	4.6
61.86587	1.6
65.03935	2.8
67.05499	46.8
69.07062	16.2
69.86652	9.5
71.04992	4.0
79.05487	69.1
81.03402	1.6
81.06583	3.1
81.07050	51.9
83.04964	3.0
83.08607	9.2
85.06524	4.8
91.05477	44.7
93.07040	89.5
95.04969	9.4
95.08600	51.0
97.06525	5.7
97.10145	5.5
98.98462	5.3
99.08064	5.2
99.09993	1.9
99.91039	1.4
105.04492	1.7
105.07025	37.1
107.04949	3.6
107.07870	3.1
107.08585	58.5
109.06496	7.3
109.10147	15.5
111.08048	4.1
117.07005	9.3
119.08573	23.3
121.06509	3.8
121.10138	46.4
123.08006	3.9
123.11681	3.5
125.09567	2.9
129.06944	2.7
131.08562	22.0
133.10124	19.4
135.08043	6.9
135.11685	38.8
137.09644	4.0
145.10109	22.0
147.11671	19.6
149.09637	8.0
149.13257	29.1
151.11172	4.7
156.05594	1.5
159.11667	19.1
161.13277	9.3
163.11115	2.8
163.14806	7.4
165.12741	4.8
169.10201	1.6
173.13255	13.4
175.14830	2.0
179.14384	2.1
184.65816	1.5
187.14833	7.8
189.16411	2.2
191.03384	1.8
191.06967	4.5
191.14351	1.9
201.16357	3.9
229.19508	40.4
230.19734	1.8
247.06035	1.8
247.08713	5.5
247.13316	4.1
247.16797	7.2
247.20561	100.0
248.20993	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03937	5.8
55.01861	2.0
55.05264	1.5
55.05509	19.4
56.96553	1.4
57.03436	2.0
57.07058	5.1
65.03928	2.1
67.05501	52.6
69.07064	17.9
69.96467	5.6
71.04990	3.7
71.08638	1.5
79.05489	73.7
81.07053	63.0
82.83051	1.1
83.04944	1.9
83.08604	8.7
85.06533	4.2
91.04913	1.4
91.05477	45.1
93.07040	100.0
95.04969	10.0
95.08603	50.0
95.09186	1.4
96.36791	1.3
97.06528	6.3
97.10169	3.5
98.98450	4.0
99.08103	6.0
104.85370	1.1
105.04495	1.5
105.07029	37.7
107.04897	1.5
107.08589	73.7
109.06510	6.3
109.10160	18.3
111.07325	1.2
111.08022	6.1
113.09618	2.3
117.07010	12.0
119.08575	25.4
121.06537	1.3
121.10140	58.8
123.08014	3.6
123.11695	5.7
125.09610	1.7
129.06981	1.7
131.08556	24.4
133.10123	23.3
135.08067	3.7
135.11684	49.7
135.61407	1.4
136.12024	1.3
137.09612	3.2
137.13240	1.9
139.11139	2.0
143.08446	1.4
145.10114	24.6
147.11681	22.6
149.09628	2.3
149.13251	41.7
151.11166	3.8
158.07387	1.3
159.11694	19.3
161.13295	7.4
163.11110	2.2
163.14835	11.0
165.12752	4.7
173.13269	16.1
175.14810	2.8
187.14796	8.5
189.16382	2.5
201.16394	3.1
203.18004	2.7
219.21175	1.3
229.19504	39.2
245.00252	1.1
247.20563	98.7
248.20953	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03944	5.8
55.01865	4.9
55.05508	33.2
57.03442	5.0
57.07051	2.8
62.78394	2.3
65.30872	2.8
65.41563	2.4
67.05178	3.3
67.05502	44.7
68.90229	2.8
69.07076	13.2
71.04971	3.5
71.22385	5.3
79.05495	96.1
81.07052	44.5
83.04975	2.9
83.08607	10.4
91.05488	40.1
93.07043	93.2
95.04946	11.2
95.08619	24.9
97.10149	7.0
98.98469	26.6
105.07026	29.1
107.04948	36.0
107.08593	48.2
109.06505	9.7
109.10153	13.7
111.55562	2.6
117.07014	12.2
119.08600	22.0
121.06475	6.2
121.10138	41.5
123.11703	7.8
125.09637	3.3
126.59848	2.8
131.08569	18.0
133.10132	17.3
135.08032	9.6
135.11687	32.2
145.10110	12.4
147.11655	9.8
147.53917	3.0
149.09616	100.0
149.13222	12.9
159.11697	13.2
161.13297	5.6
163.11189	4.6
163.14778	3.3
173.02126	4.9
173.13281	7.2
175.14716	3.1
177.12732	4.3
187.14825	5.0
227.35338	3.0
229.19530	11.5
247.16783	7.7
247.20557	96.4
248.21016	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
54.72305	1.6
55.01871	3.7
55.05508	22.3
55.58559	1.5
57.03433	3.2
57.07063	4.8
62.68076	1.5
65.03927	2.3
65.71522	1.5
67.05504	42.7
69.07063	19.3
71.04984	1.6
71.25350	1.3
79.05491	90.9
81.03403	1.7
81.07053	40.1
83.04964	1.7
83.08605	5.6
85.06546	1.9
87.73244	1.3
91.05476	46.8
93.07041	100.0
95.04958	13.9
95.08605	30.7
97.06500	3.8
97.10159	4.6
98.20696	3.6
98.98470	3.0
101.50495	1.4
103.05505	1.8
105.07027	29.3
107.04966	16.6
107.08589	55.2
109.06508	2.5
109.10153	14.4
117.07001	10.4
119.08575	22.0
121.10133	37.4
122.10452	2.1
123.08015	1.9
123.11727	3.1
125.09649	2.2
131.08562	18.0
133.10136	18.6
135.08034	7.8
135.11690	49.8
137.09694	1.4
145.10126	15.6
147.11652	14.1
149.09621	17.9
149.13251	14.8
151.11195	1.5
159.11684	12.2
161.13303	8.7
163.11108	2.0
163.14813	3.1
173.13234	7.3
175.14836	2.5
175.40269	1.5
177.12788	2.3
181.19803	1.5
187.14825	5.0
191.14326	1.7
201.16322	2.4
229.19501	8.7
247.13278	2.3
247.16823	5.4
247.20581	58.5
247.23132	3.3
248.20869	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.18790	1.9
53.03950	3.1
54.50201	1.5
55.01863	4.5
55.05267	1.9
55.05508	23.7
56.96556	3.8
57.03433	3.2
57.07061	6.1
65.03925	3.8
67.05502	47.0
67.54345	1.9
69.03410	3.7
69.06794	1.6
69.07069	17.5
71.04977	3.3
71.58419	1.8
77.03945	1.7
79.05488	46.4
81.03426	3.3
81.07053	81.1
83.04982	6.8
83.08609	7.9
91.05474	29.8
93.06472	3.3
93.07036	47.4
95.04980	12.4
95.08604	43.4
96.89342	1.6
97.06519	10.4
97.10166	6.3
102.85449	2.0
103.05462	2.3
105.07021	27.7
107.04951	9.8
107.08579	37.2
109.02844	2.4
109.06509	23.1
109.10152	23.4
111.08092	2.3
115.05448	2.2
117.07013	13.9
119.08577	25.9
121.02841	3.9
121.06496	7.4
121.10138	32.7
123.08080	9.6
123.11673	10.0
129.06934	3.7
130.07758	2.3
131.08569	20.3
133.10124	15.9
135.04340	2.0
135.08025	6.8
135.11661	17.6
137.09610	11.2
137.13216	2.6
139.11130	2.1
142.99989	1.7
145.06476	4.5
145.10124	20.0
147.11661	12.3
149.05978	3.2
149.09601	7.8
149.13225	11.8
151.11157	12.4
151.12167	1.8
157.10120	2.2
159.08043	4.1
159.11676	19.3
161.09630	3.3
161.13258	6.2
163.11203	9.5
163.14784	6.4
165.12691	8.3
173.09543	2.7
173.13220	11.9
175.07472	1.9
175.11255	1.6
175.14861	3.5
177.12746	5.4
179.14221	2.3
183.11853	1.5
187.11214	2.7
187.14772	9.3
189.16377	3.8
191.07051	2.9
191.14258	6.7
201.12715	2.4
201.16333	3.4
203.17981	2.6
229.04913	3.7
229.12122	3.5
229.19492	37.8
247.05956	2.3
247.09546	2.6
247.13281	6.4
247.16905	7.8
247.20563	100.0
248.20927	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03940	6.9
55.01858	8.6
55.05504	26.4
56.95278	2.6
57.03419	4.4
57.07068	3.8
58.03490	2.8
59.31107	2.6
65.03934	2.7
67.05503	42.2
69.03423	4.2
69.07066	22.0
71.04990	3.1
71.58579	4.5
79.05492	47.5
81.03416	3.0
81.07053	63.2
83.04975	6.7
83.08611	4.4
91.05476	22.2
93.07050	42.5
95.04966	11.9
95.08604	26.0
96.25441	2.5
97.06555	3.0
97.10158	3.7
98.98457	8.6
105.06995	17.6
107.04939	26.8
107.08582	25.9
109.06491	18.3
109.10166	15.3
117.06995	4.2
119.08558	17.0
121.06503	7.1
121.10137	24.1
123.08057	4.3
123.11677	4.6
125.09581	3.5
131.08551	9.6
133.10120	11.2
135.08060	6.0
135.11722	14.1
137.09634	5.4
145.10103	13.0
147.11653	9.8
149.09624	54.0
149.13237	8.4
151.11172	8.7
159.11671	6.9
161.13167	3.4
163.14828	3.7
173.13251	6.5
177.12834	3.4
187.14714	4.7
191.14290	3.1
211.45131	2.7
229.19501	10.4
247.16922	7.7
247.20564	100.0
247.24319	5.4
248.20799	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03933	6.5
55.05517	18.6
55.36496	2.1
56.96561	4.5
57.03411	4.3
57.07069	4.1
61.18002	2.7
63.84064	2.0
65.03934	2.1
65.42367	2.1
67.05182	4.3
67.05506	49.8
67.28073	2.5
69.03408	2.1
69.07060	14.7
69.48533	2.0
71.58310	4.2
79.05498	77.4
81.07061	56.3
83.04971	2.2
83.08609	9.7
84.04447	2.2
85.06535	6.5
87.81124	2.0
91.05479	44.5
93.07048	95.2
93.07632	5.4
95.04964	9.5
95.08055	4.3
95.08611	56.9
97.06533	5.8
97.10139	2.4
98.69949	2.4
98.98458	10.0
99.08086	5.0
104.99368	2.4
105.07037	32.7
107.08602	59.9
109.06498	6.5
109.10155	19.3
111.08089	4.0
115.78716	2.4
116.02434	2.3
117.07030	14.0
119.08591	24.3
121.06506	4.7
121.10151	56.9
123.11715	4.0
129.07062	2.8
131.08578	20.0
133.10118	21.2
135.08063	3.5
135.11697	49.8
137.09595	3.9
145.10132	27.8
147.11674	24.4
149.09631	4.7
149.13257	38.4
151.11243	3.0
159.11684	17.3
161.13249	7.5
163.11201	2.6
163.14821	12.5
165.12756	3.3
173.13307	19.5
175.02498	2.6
187.14807	7.3
191.07068	3.6
201.16376	4.0
202.65910	3.0
203.18045	3.0
229.08688	3.6
229.19498	46.4
247.13307	3.5
247.16809	7.7
247.20598	100.0
247.24634	4.7
248.07062	5.2
248.20976	3.5
266.67776	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03937	3.3
55.01863	4.2
55.05507	12.2
57.03429	4.6
57.07066	2.6
65.03955	1.7
67.05177	1.9
67.05505	25.5
67.30058	1.0
69.03416	1.8
69.07064	16.8
71.04971	1.9
71.58374	0.9
71.58784	1.7
75.04465	3.0
77.44386	0.9
79.05491	57.3
81.03411	2.8
81.06583	1.5
81.07055	25.8
83.04958	2.2
83.08608	4.2
85.06544	1.3
85.80245	1.0
86.84750	1.0
91.05474	21.2
91.43464	1.0
92.31154	0.9
93.07042	35.1
94.02275	1.0
95.04971	8.7
95.08604	23.1
97.06503	3.1
97.10164	2.7
98.98466	100.0
103.05448	1.4
105.07024	13.6
107.04955	46.1
107.08595	31.5
109.06493	3.6
109.10164	8.2
115.05447	1.4
116.99477	5.0
117.06998	6.6
119.08573	12.7
121.06502	3.1
121.10143	23.5
123.08044	2.1
123.11716	3.6
125.09695	1.1
129.06976	1.1
129.51602	1.0
131.08566	14.3
133.10144	6.7
135.08057	70.3
135.11679	12.0
136.08382	1.2
137.09631	1.8
137.13249	1.3
139.11182	1.3
140.01019	1.8
145.10109	11.2
147.11708	7.2
149.09634	6.5
149.13261	4.1
151.11160	1.6
155.01085	1.3
159.11696	5.5
161.13255	1.5
163.11159	3.8
163.14818	2.0
165.16145	1.4
173.02098	20.4
173.13240	7.4
175.14859	1.3
177.12695	1.4
187.14865	1.8
191.14336	1.7
229.19537	8.7
247.05865	2.3
247.16739	2.2
247.20567	57.9
247.24106	7.6
248.20969	2.7
250.69203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.54749	1.0
53.03927	1.2
55.01857	2.7
55.05509	11.5
56.96545	2.0
57.03431	1.4
57.07061	4.0
58.37588	0.9
59.04997	1.2
65.03942	1.2
67.05505	10.7
68.99777	1.1
69.03414	3.1
69.07063	13.7
70.87552	3.0
71.04971	3.1
71.08610	0.9
79.05491	13.1
81.03428	1.2
81.07053	23.1
83.04961	3.7
83.08604	4.3
85.02905	1.3
85.06530	6.3
88.43307	0.9
91.05482	14.3
92.44301	1.0
93.07036	19.6
95.04949	4.8
95.08602	18.3
97.06548	2.5
98.98436	3.2
99.04440	1.8
101.06000	2.1
103.05451	2.1
105.07023	24.6
107.04945	2.7
107.08597	16.8
109.06493	5.9
109.10147	8.5
115.05407	3.3
116.06287	1.3
117.07008	8.1
119.08582	28.9
121.02885	1.5
121.06470	5.3
121.10152	9.9
122.07291	1.3
123.04413	1.2
123.08067	4.0
123.11687	1.1
127.07540	1.0
128.06227	2.8
129.07001	4.8
130.07774	2.3
131.08568	23.2
133.06453	2.8
133.10120	20.2
134.99667	1.8
135.04399	1.8
135.08043	39.0
135.11688	4.7
137.09605	1.5
142.07707	1.0
143.08530	4.9
144.05659	1.5
144.09341	2.4
145.06459	2.1
145.10115	30.4
147.08029	3.6
147.11682	8.9
149.09599	4.9
149.13216	2.9
153.09142	1.4
156.09317	1.4
157.10104	5.6
158.07248	1.3
158.10861	2.2
159.08026	4.2
159.11694	17.0
161.05942	1.2
161.09610	3.3
161.13211	1.4
163.03877	1.6
163.07549	1.9
163.11122	1.7
163.14830	2.2
165.09193	1.1
168.09482	1.0
169.10100	4.2
170.10904	1.8
171.11732	2.8
172.12465	2.9
173.09595	6.3
173.13196	9.1
174.14061	2.0
175.07457	1.2
175.14833	2.7
177.09119	3.3
183.11687	1.3
185.13258	7.8
187.07550	1.9
187.11241	6.1
187.14803	34.1
191.03482	1.4
191.07040	3.5
191.10728	6.0
191.17932	1.2
196.12505	2.2
201.12701	3.2
201.16367	4.3
203.10701	1.5
205.12270	3.3
211.14836	7.9
219.17461	2.0
229.08548	2.5
229.12227	2.7
229.15887	7.2
229.19397	2.1
247.02399	1.8
247.09660	5.4
247.13138	4.5
247.16914	100.0
247.24118	6.2
248.17378	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03937	5.0
55.01850	1.9
55.05500	5.3
65.03954	6.1
67.05508	6.7
69.03075	1.9
69.03426	23.0
69.07047	2.3
70.24893	5.3
75.00288	1.2
78.79385	1.1
79.05129	1.3
79.05499	10.5
81.07067	8.0
83.04979	21.8
88.60759	1.2
88.87650	1.2
91.05477	18.7
93.03403	4.4
93.07025	12.8
95.04953	5.5
95.08599	3.8
97.02888	6.0
103.05492	2.1
105.07026	14.8
107.04943	3.2
107.08602	15.9
107.48715	1.2
109.02885	7.2
109.06516	10.3
109.10143	4.8
111.04435	5.0
115.05458	4.5
117.07029	13.5
119.08578	16.6
121.02846	4.4
121.06503	14.6
121.10153	7.2
123.08047	3.4
128.06236	3.8
129.07013	7.7
130.07741	1.9
131.04922	2.0
131.08571	18.2
132.05708	3.8
133.06497	1.6
133.10104	8.1
135.08044	30.1
135.11697	2.3
137.05972	2.8
137.09645	3.3
139.03989	1.5
139.11255	1.1
141.06966	3.6
142.07765	2.4
143.08549	11.8
144.09340	9.7
145.06479	14.0
145.10130	9.6
146.07280	1.9
147.08049	4.4
149.06024	1.8
149.09613	21.3
150.10341	3.4
151.11153	3.5
153.07024	2.7
153.09058	2.5
154.07793	2.3
155.08554	6.3
156.45030	1.2
157.06538	2.4
157.10144	3.9
158.07292	3.2
158.10898	9.2
159.08040	14.1
159.11702	27.3
160.08830	4.8
161.09627	6.1
163.07553	20.7
163.11183	2.1
165.09125	1.7
167.08591	1.8
168.09352	5.4
169.10107	3.0
170.10870	4.7
171.08011	7.1
171.11748	1.8
172.08815	21.0
173.05998	2.1
173.09636	31.0
173.13258	26.6
175.07489	2.0
177.09230	1.3
181.06453	3.2
183.11726	9.8
185.09584	2.6
186.10399	23.9
187.07578	3.2
187.11179	100.0
188.11725	1.5
189.09129	3.4
191.07024	52.0
193.10162	1.4
195.08029	1.3
196.08867	5.9
201.12733	46.2
203.14235	1.3
205.12202	3.2
211.11171	10.8
214.09875	3.9
219.13838	6.0
229.08665	2.3
229.12224	57.0
247.13286	71.6
248.13644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1287
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.01870	1.3
55.05511	8.5
56.05025	2.9
56.96558	3.3
57.03427	1.3
67.05482	1.5
69.03436	2.4
69.07067	2.2
70.06587	2.7
70.07405	1.2
71.56870	1.3
71.57275	1.5
72.08157	100.0
77.13068	0.9
79.05475	2.1
81.03413	1.7
81.07047	1.8
82.07382	0.9
84.04504	49.5
85.02890	3.0
86.09709	4.4
88.03981	2.7
91.05464	2.5
93.07048	2.8
97.02897	2.3
98.97581	1.2
98.98491	1.7
102.05489	2.0
103.05480	1.1
105.07035	1.6
107.04935	1.9
108.08161	0.9
110.02422	1.5
113.10738	1.1
115.03922	2.2
116.98660	2.5
116.99496	0.9
117.03307	0.8
117.07001	1.5
118.08652	38.6
121.02920	1.9
124.15758	0.9
127.03917	1.0
129.07074	1.1
130.05008	9.0
132.10182	2.0
134.99622	1.5
135.07982	1.1
141.06955	1.4
141.10175	1.2
145.06480	1.7
146.83720	1.1
148.06012	2.2
149.13205	1.1
150.05534	1.1
156.10213	3.8
159.08072	1.4
163.03873	3.4
166.08746	1.8
167.16208	1.4
169.14182	2.8
173.05975	2.1
183.11218	1.3
184.09674	15.5
187.03925	1.0
187.07484	1.0
187.15189	1.9
201.12323	1.5
206.01111	1.1
211.15244	2.3
213.09618	1.2
214.02444	1.0
219.02924	3.4
221.64268	1.0
229.08582	1.7
229.16254	3.3
230.10257	8.2
232.03693	1.3
240.80235	1.1
242.39783	1.0
247.02315	4.9
247.06136	2.7
247.10110	2.1
247.13016	6.6
247.17265	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1075
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
51.55260	1.1
52.45766	0.9
53.03938	1.8
55.01855	1.9
55.05494	1.3
57.03419	1.2
62.34806	0.9
62.35143	1.0
63.35621	1.0
67.05508	2.5
69.03419	2.6
69.07060	1.6
72.60962	1.0
79.05487	2.9
81.03401	1.1
81.07058	3.3
85.02927	1.2
85.06544	1.5
87.00809	1.0
88.03979	1.8
91.05473	4.7
93.07052	3.7
94.69545	1.0
95.04960	1.4
95.08601	3.1
97.02879	2.3
105.07040	4.1
107.05001	1.0
107.08593	3.2
109.06496	1.5
115.03816	1.0
115.05441	6.8
117.07008	3.1
118.06544	23.2
119.08589	3.7
121.06476	1.9
123.04476	1.1
125.02306	1.6
129.07025	1.1
130.06523	39.2
131.08546	3.0
132.08090	35.1
132.08824	1.1
133.06415	1.1
133.10158	2.3
135.08086	1.3
141.06999	1.7
142.06525	10.5
142.07590	1.6
143.07297	2.6
144.08072	12.0
145.06447	1.7
145.10141	4.6
146.06010	48.4
147.08031	1.4
158.08379	2.5
159.09172	100.0
160.07567	6.0
160.09543	1.6
163.04031	1.1
163.07506	1.3
166.10768	1.0
169.07643	3.9
170.06012	23.5
174.09142	1.6
183.09195	3.2
184.07585	4.9
185.13087	1.1
187.08737	10.5
187.14825	1.3
188.07054	82.0
189.07408	2.3
189.09027	1.1
191.03320	1.8
191.07031	1.3
201.10234	49.1
201.16498	1.2
205.09695	11.7
211.08948	1.0
229.09763	3.5
229.15988	1.8
230.08235	1.3
247.05901	1.2
247.09848	3.6
247.13229	2.3
247.16890	4.9
269.29822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Cordyol C
Peak:m/z	Relative Intensity
53.03929	0.7
55.01859	1.8
55.05484	1.0
56.96549	0.7
57.03420	0.4
65.03953	0.6
67.05491	1.7
68.72344	0.4
68.99781	1.4
69.03410	1.5
69.07055	1.4
69.57543	2.4
69.57954	0.8
79.05496	3.4
81.03389	0.7
81.07034	1.4
89.03856	0.6
91.05460	3.0
93.03381	0.7
93.07032	2.4
95.01286	0.6
95.04966	2.6
95.08601	1.3
103.05482	0.7
105.07042	3.0
107.04962	3.8
107.08570	1.4
109.06555	0.6
117.03413	0.6
117.06973	0.8
119.08553	1.1
121.02886	0.9
121.06489	1.6
121.10120	0.9
131.04895	0.7
131.08559	1.1
133.06493	0.6
133.10120	0.7
135.04414	6.0
135.08043	1.5
137.02351	2.8
141.06877	0.5
145.02803	0.9
145.06563	0.9
145.10098	1.0
147.04401	0.9
147.11629	0.5
149.06006	3.3
149.09560	0.5
159.11725	0.9
161.05975	1.8
163.03905	6.9
175.11232	0.5
177.05424	1.1
179.03348	1.3
187.14784	0.5
191.03392	51.3
192.03854	0.9
201.16422	0.5
203.03415	1.4
205.04959	18.9
205.15935	0.5
217.04881	2.9
229.12299	0.5
229.15936	0.6
247.09660	100.0
247.16667	2.9
247.20578	1.8
247.24561	0.8
248.09952	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41672	1.4
68.10516	1.4
70.79144	1.4
70.79487	4.9
71.62758	1.3
72.08136	5.2
124.76527	1.6
134.41405	1.3
152.80983	1.4
156.77917	1.6
169.01016	1.6
183.52768	1.3
189.58252	1.4
191.03336	1.4
201.15829	1.5
229.03188	37.9
247.04253	100.0
247.07988	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1698
Annotation	alpha-5-C-(3-Hydroxybutyl)-hyacinthacine A2
Peak:m/z	Relative Intensity
55.01857	0.8
55.05491	2.5
56.05039	6.0
56.96563	2.0
60.04256	1.0
60.04520	9.1
60.89817	0.8
64.06328	1.0
67.05497	6.2
68.05005	2.8
69.03425	1.4
69.07057	2.6
70.06574	3.9
70.86320	1.6
71.04962	1.7
72.04470	1.2
73.02892	1.2
79.05472	4.1
80.05009	1.9
81.07044	8.0
82.06557	2.7
83.04974	1.0
84.08121	1.3
85.02882	1.4
86.06052	1.8
86.09675	1.4
89.71333	0.8
91.05468	4.3
93.07046	6.2
94.06544	2.5
95.04974	1.5
95.08596	5.8
96.08102	3.0
98.21436	0.9
100.07632	1.1
103.05430	1.4
105.07022	3.6
107.08593	2.1
109.06544	1.1
109.10159	1.7
110.09676	1.2
116.98617	1.0
117.05727	1.5
118.06544	1.5
119.08548	1.4
121.10142	2.8
123.08084	0.9
129.07011	1.8
130.06531	6.8
132.08092	2.5
133.10098	2.2
136.65189	0.9
138.12741	3.3
144.08092	2.5
145.07579	3.1
145.09981	1.2
146.06015	2.0
149.09570	1.7
156.08052	2.8
157.07602	2.9
158.06007	1.2
159.09178	4.8
163.03894	1.8
166.12276	18.6
168.08153	1.1
172.09920	1.8
173.10800	1.1
180.13797	7.2
183.09166	2.9
184.13306	16.0
185.10712	3.9
192.13823	6.1
197.71944	0.9
198.14841	2.1
200.07054	1.8
200.11882	1.4
201.10265	1.8
204.06537	1.2
210.14882	16.0
218.08080	1.0
228.15935	47.1
229.09663	4.2
229.11717	0.9
246.07568	1.7
246.12550	4.7
246.16982	100.0
247.17270	1.9
257.82336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1701
Annotation	alpha-5-C-(3-Hydroxybutyl)-hyacinthacine A2
Peak:m/z	Relative Intensity
50.45429	0.6
53.03935	1.4
55.01859	1.2
55.05498	3.4
56.05046	3.5
56.96556	2.3
57.03418	1.4
58.06591	1.8
59.66924	0.7
60.04508	1.2
67.05512	3.4
68.05014	1.3
69.03427	1.6
69.07071	10.8
69.24924	8.1
70.02957	1.5
70.06593	7.1
71.04963	1.8
72.08154	9.0
73.02915	1.1
74.06086	4.3
74.34632	0.8
79.05500	9.1
81.03415	1.1
81.07052	4.2
81.86887	0.7
82.06557	1.9
83.04965	0.8
83.08591	0.9
84.04488	5.5
84.08141	7.2
85.02878	1.9
85.03993	2.3
86.09705	9.0
87.05592	8.6
88.03959	1.3
91.05486	6.6
93.07044	9.8
94.06538	0.7
95.04977	1.4
95.08598	1.0
96.04488	0.9
96.08135	7.2
97.02874	0.8
97.06546	4.5
97.08929	1.0
98.02405	2.4
98.06012	0.9
98.09680	3.8
98.97616	1.0
100.07593	2.4
102.05501	1.1
105.07032	4.5
107.04910	0.9
107.08601	3.4
108.04491	1.1
108.08100	1.7
109.06512	1.5
109.10145	1.2
110.02400	9.5
110.09684	1.3
111.04449	0.9
113.10790	4.6
114.05557	1.4
117.10212	1.0
119.08557	1.2
121.06490	1.0
122.09672	1.4
124.03922	2.0
124.07604	0.8
124.11246	0.9
125.02343	0.9
125.05999	1.8
126.05540	1.0
129.06976	0.7
129.10237	1.4
130.04967	1.6
131.67177	0.8
132.10182	1.9
133.10124	4.7
134.99612	0.8
135.08025	1.4
136.11195	0.8
138.09082	0.9
141.10229	10.3
142.04993	1.0
145.06551	0.6
147.11610	0.8
150.05476	1.2
150.12772	3.7
155.11740	1.0
156.10179	1.3
163.03879	1.0
164.14351	4.4
166.08630	9.4
166.15904	6.2
168.06549	1.4
168.13853	19.4
169.09734	1.0
174.03949	1.0
174.12639	0.8
174.88686	0.7
175.11041	0.8
182.11774	2.4
182.15378	1.9
183.11295	1.6
184.09694	1.4
184.17020	1.5
186.14891	6.4
187.10786	6.6
192.13852	7.9
200.14032	1.7
202.10745	3.0
210.14880	11.6
211.10826	0.9
212.09189	9.0
215.60254	0.7
228.12462	0.9
228.15950	17.8
229.11801	3.7
246.16994	100.0
247.06033	1.2
247.17279	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
52.18335	0.3
55.01886	0.4
55.05510	0.7
56.73477	0.3
56.96570	0.7
64.33351	0.3
69.03429	0.7
69.07058	0.8
69.59522	1.6
69.59957	1.0
70.06580	0.5
71.04982	0.4
79.05471	0.5
81.07058	0.3
83.04970	0.4
86.09705	100.0
87.10020	0.6
91.05493	0.8
98.97649	0.4
105.07054	0.5
107.04950	2.1
107.08578	0.5
119.08548	0.5
121.10162	0.4
129.07036	0.6
132.10187	2.6
135.04402	1.0
145.10143	0.5
148.76660	0.3
153.06958	0.3
161.06000	1.0
161.09590	0.3
171.08020	0.4
181.06491	0.6
199.07518	0.3
199.11197	0.4
199.18091	1.4
217.08508	0.5
227.06854	0.7
245.04544	0.4
245.08095	2.6
245.11700	0.5
245.16173	0.5
245.18636	3.3
246.14900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	Gnididione
Peak:m/z	Relative Intensity
50.87759	0.4
54.56009	0.4
55.01855	1.3
55.05495	1.6
56.96566	3.7
59.04995	0.8
67.05489	1.6
69.07053	1.7
69.37553	4.9
77.00314	0.5
79.05478	1.9
81.07046	3.5
83.04982	1.1
86.09705	0.7
91.05481	4.3
93.07044	2.3
95.04939	1.0
95.08607	2.9
97.06534	0.7
97.10134	0.7
98.97581	4.3
103.05419	0.7
105.07015	3.3
107.04929	0.5
107.08590	2.0
109.10140	1.0
115.05437	6.1
115.27627	0.5
116.06175	0.6
116.98619	5.8
117.07008	4.9
119.04923	2.1
119.08573	2.1
120.08112	0.5
121.06510	0.6
121.10148	1.3
123.08063	0.8
125.09597	0.7
128.06200	1.8
129.07037	2.3
131.04892	1.4
131.08527	1.8
133.06442	0.6
133.10115	1.9
134.99654	4.2
135.08089	0.5
135.11697	1.2
140.00142	0.5
141.06946	0.7
142.03169	0.5
142.07755	1.0
143.08557	2.0
144.05721	0.9
145.06491	8.3
145.10126	1.6
146.07222	0.9
146.99594	0.6
147.04308	0.6
147.11681	1.7
149.01180	1.5
149.13293	0.8
153.00717	0.6
156.09361	0.6
157.06465	3.7
157.10136	2.6
158.01294	0.6
158.99631	0.7
159.08087	0.5
159.11696	1.8
160.97583	0.7
161.05975	1.1
161.09615	0.9
161.13179	0.6
163.14714	0.6
165.07002	1.8
166.07773	2.1
167.08476	0.5
171.08061	2.2
171.11681	1.4
172.08864	0.8
173.05980	100.0
174.06709	3.9
175.07423	0.8
175.11154	0.7
177.00710	1.9
181.10129	1.4
183.07999	0.8
184.05406	0.6
184.08821	1.3
185.05945	1.5
185.09604	1.9
185.13264	1.5
187.07533	3.2
189.09050	0.9
189.12810	0.5
194.07289	1.2
195.07986	0.6
197.05978	1.1
199.11179	1.3
199.14796	0.5
203.07082	0.7
203.10590	0.8
209.09607	11.7
209.13393	0.5
211.07533	6.1
212.08324	7.8
213.09143	0.8
227.10660	31.5
227.14288	1.1
227.18016	0.8
228.10966	0.8
245.07993	1.4
245.11734	45.5
245.15300	3.2
245.19020	2.3
245.22600	1.6
246.12067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0809
Annotation	Piceatannol
Peak:m/z	Relative Intensity
53.03939	1.7
55.01855	3.9
55.05496	2.3
56.96543	3.5
57.03407	1.2
58.01138	0.9
60.04503	1.0
65.03937	1.9
67.05471	2.4
68.99792	11.8
69.03406	4.0
69.07072	6.6
70.06578	4.0
71.57628	1.2
79.05486	8.9
79.36398	0.8
81.03401	3.2
81.07040	2.4
83.04953	1.7
84.04513	1.3
84.08121	2.3
85.02888	3.5
86.06031	1.3
86.09699	35.2
91.05479	8.0
93.07028	1.7
95.04953	6.1
95.08595	1.9
97.02854	1.1
98.97604	5.0
103.05452	1.4
105.06987	3.1
107.04948	100.0
107.08546	2.0
109.02849	3.3
110.03640	1.7
111.04446	7.6
115.05450	2.7
116.98646	4.5
117.06969	1.5
119.08546	1.3
121.02850	4.7
121.10111	1.4
123.04425	13.9
124.07609	2.3
128.06149	4.5
129.07024	4.6
130.06511	2.1
131.04863	1.4
131.08510	1.9
133.06477	2.1
133.10103	1.0
134.03648	1.0
134.99629	4.8
135.04402	46.9
135.08028	1.4
136.05194	12.7
137.02310	3.2
137.06010	1.2
139.03809	1.3
142.03156	1.4
142.07784	1.4
143.08554	4.4
144.05586	1.3
145.10046	1.2
147.04385	2.5
147.08066	1.0
149.01202	1.5
149.05948	1.3
149.09583	1.3
152.06184	3.8
153.06989	6.9
157.06480	8.3
157.07614	1.8
157.10092	1.1
158.06003	1.3
158.07222	1.0
159.07936	0.9
160.05176	1.1
161.05972	44.3
162.06367	1.3
163.03830	2.0
169.06377	1.1
171.04323	1.7
171.08051	6.1
172.05066	5.5
173.05891	2.1
175.03873	1.1
175.07501	3.9
177.00671	2.4
177.05531	1.0
177.09077	1.1
181.06461	25.7
181.07671	1.0
184.05177	2.6
185.05914	3.8
185.13422	1.7
187.03879	1.5
187.07538	1.1
189.05417	1.0
189.09036	1.2
199.07518	23.5
200.04517	2.7
203.06755	4.6
205.07399	1.2
209.05884	5.9
213.05513	1.0
213.30533	0.9
217.08485	2.6
218.05515	4.8
227.06992	28.9
227.10448	1.7
245.04391	2.1
245.08052	47.9
245.11874	2.1
245.15462	5.1
245.18669	1.6
246.05002	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0807
Annotation	Suberenone
Peak:m/z	Relative Intensity
53.03923	1.6
55.01865	1.9
55.05503	5.7
56.96552	2.7
65.03933	4.5
67.05490	3.1
69.03412	1.6
69.07075	2.0
71.57681	1.7
79.05482	4.0
81.07043	4.1
83.04974	1.4
83.08598	3.4
91.05476	81.6
93.07039	5.0
95.04962	1.5
95.08598	4.9
97.06528	1.1
97.10151	4.9
98.97587	1.3
99.01545	1.1
99.66011	1.1
105.07029	5.6
107.04974	1.4
107.08590	3.4
109.10145	2.0
111.09236	1.0
115.05445	2.1
116.98604	1.8
117.06989	3.0
119.08573	5.0
121.10151	2.2
125.09595	3.0
128.06218	6.8
129.06995	4.5
129.31050	1.0
131.08540	3.2
133.10106	3.1
134.99677	1.2
135.08046	1.4
135.11647	1.8
142.03265	1.1
142.07727	1.1
143.08578	5.1
145.06458	1.7
145.10080	2.7
147.07979	1.8
147.11662	2.1
149.02318	1.6
149.09608	1.1
152.06212	11.4
153.06996	30.3
157.10168	3.0
159.11646	1.9
161.09612	1.6
167.03389	5.2
169.06551	1.7
171.08029	2.0
171.11681	2.2
185.13287	2.5
189.11211	3.0
199.03893	1.8
199.14737	2.0
217.08626	2.1
227.07011	100.0
228.07298	2.0
245.04440	3.2
245.08018	6.7
245.11751	2.6
245.15359	4.4
245.18985	4.0
245.22690	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0808
Annotation	Piceatannol
Peak:m/z	Relative Intensity
51.02377	0.7
53.03949	1.8
55.01867	2.5
55.05509	1.7
56.96567	2.4
62.67440	0.9
65.03945	1.4
65.78878	0.7
67.05502	3.0
68.99793	9.7
69.03426	2.2
69.07070	0.8
69.41789	0.7
71.57783	1.1
79.05478	7.2
81.03427	2.2
81.07069	2.7
83.04988	1.7
84.08137	0.9
86.00658	0.7
86.09705	88.7
91.05489	3.3
93.07050	1.8
95.04963	5.5
95.08587	1.0
97.01125	1.1
97.02965	0.9
97.04019	3.1
98.97597	2.9
105.07040	4.0
107.04952	100.0
107.08605	1.6
109.02871	1.8
109.10177	0.8
110.03687	1.7
111.04427	8.4
115.05464	1.7
116.98620	3.5
117.07041	1.5
119.04922	1.0
119.08563	1.8
121.02853	3.7
121.10116	1.1
123.02613	1.2
123.04424	12.9
125.09576	0.8
128.06227	3.8
129.07007	2.8
131.04837	1.0
131.08592	1.5
132.10217	2.9
133.06511	1.6
134.99661	2.4
135.04414	49.5
135.08017	1.5
136.05205	12.7
137.02339	3.8
141.06996	1.3
142.03175	1.2
142.63963	0.7
143.08572	3.1
145.06522	1.5
147.04446	1.7
147.08072	0.9
149.09644	0.9
152.06203	3.4
153.07021	5.1
157.06477	12.3
159.08087	0.9
160.05263	1.1
161.05974	44.0
163.03902	3.2
164.07771	1.5
167.05206	0.7
169.06549	1.6
171.07997	4.3
171.11543	0.7
173.06023	1.8
174.06799	1.3
175.07526	4.4
177.00771	1.6
177.09103	1.9
181.06474	19.1
184.05199	2.5
185.05977	2.2
185.13223	1.2
187.03874	1.6
189.09200	2.1
199.07532	25.3
199.18063	1.3
201.05537	0.8
203.07050	5.0
209.05948	7.5
217.08592	4.8
225.85966	0.7
227.06989	27.4
227.08713	9.1
245.08066	54.8
245.15446	2.2
245.18623	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34891	2.0
56.05049	1.9
56.96556	2.9
69.07034	2.4
70.06592	3.3
70.86543	4.2
70.86917	4.3
72.08151	7.8
74.02431	6.4
81.03426	2.5
84.08122	16.5
85.08463	6.8
86.09689	2.2
95.04969	2.2
97.02892	3.8
98.09647	2.0
110.09702	2.6
116.98597	3.2
117.05747	20.2
129.06984	9.5
130.06516	62.6
131.07303	7.4
143.07330	17.6
144.08087	22.4
154.06514	24.0
155.06015	11.3
156.06837	2.0
156.08058	31.1
157.07558	27.5
158.06012	23.5
158.08342	11.0
169.05228	8.1
169.07629	6.1
171.09178	31.2
172.07544	5.0
180.10249	2.9
181.07576	30.6
181.08826	2.3
182.05966	5.3
182.08264	6.0
183.09143	15.1
185.07100	65.1
198.10272	29.3
208.09746	3.6
209.07097	17.7
216.07338	5.7
226.10806	2.9
227.08148	100.0
228.08325	2.3
234.11653	2.2
235.99294	2.0
244.06769	4.4
244.10675	16.8
244.15497	5.9
261.05997	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0808
Annotation	Eriobofuran
Peak:m/z	Relative Intensity
55.01868	0.6
55.05503	1.1
57.07067	1.7
62.06085	1.2
64.24166	0.4
67.05496	1.1
69.07072	0.8
69.89389	2.3
71.08622	0.6
72.61943	0.4
73.17436	0.4
79.05474	1.5
81.03417	0.6
81.07041	1.3
83.04914	0.5
84.59670	0.4
91.05480	2.4
93.07035	0.7
95.04973	1.4
95.08598	0.9
97.10159	1.0
98.20811	0.5
105.07049	2.2
107.04955	1.1
107.08591	0.9
109.10127	0.5
115.05450	0.8
117.07021	1.3
118.30997	0.4
119.04929	1.5
119.08572	1.6
121.04096	0.4
121.10133	0.6
123.04355	0.4
123.07970	0.4
125.09579	0.6
128.06235	3.2
129.06987	2.1
131.04921	0.7
131.08539	1.3
133.06482	0.5
133.10123	1.7
135.04399	1.6
142.03246	0.5
142.07730	0.4
143.08560	2.1
145.06483	1.0
145.10136	1.6
147.08109	0.5
152.06206	0.7
153.07019	0.5
157.06467	1.4
157.10078	0.6
159.11710	0.7
161.05972	3.5
170.07283	0.5
171.08054	4.0
173.05997	1.6
174.06779	0.6
175.07510	1.3
181.06500	1.0
184.05208	0.4
185.05896	0.5
185.13281	0.4
187.03912	1.0
187.07581	0.7
188.08246	0.5
189.05385	0.4
189.09134	0.5
189.11176	0.8
199.07553	5.5
201.05473	13.1
202.06181	0.8
203.06979	0.8
215.07021	3.7
216.07799	7.8
216.09706	0.6
217.08640	2.0
227.07060	2.0
227.17989	0.7
228.63712	0.4
244.26349	4.1
245.08089	100.0
245.18994	2.8
245.26639	2.4
246.08389	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.8
57.07056	2.6
67.05170	2.0
67.05506	23.0
69.07075	6.6
71.08576	1.4
71.32819	2.8
79.05486	15.5
81.07052	19.0
81.96735	1.3
83.08611	3.1
91.05481	23.8
93.07043	18.7
93.26421	1.3
95.04948	1.7
95.08597	20.1
97.10139	1.4
97.18676	1.4
105.07023	24.3
107.08588	13.2
109.10171	12.9
117.07014	19.5
119.08571	24.8
121.10143	19.9
123.11699	4.3
129.06963	3.2
130.07738	2.7
131.08565	44.2
133.10135	18.7
135.11694	11.7
143.08583	3.0
145.10123	38.2
147.11676	20.3
149.13283	6.9
157.10034	2.4
159.11691	27.9
159.16156	1.5
161.13261	22.6
163.14754	1.8
171.11731	3.2
173.13261	31.3
175.14816	4.0
185.13174	1.8
187.14809	19.1
201.16380	9.4
215.17953	5.4
243.21083	100.0
243.28847	3.9
244.21526	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0652
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01866	2.3
55.14776	0.4
55.70691	0.5
56.96551	0.5
65.03934	1.1
68.90894	0.4
68.99442	0.7
68.99789	9.2
69.03418	0.5
70.82820	0.5
70.83134	0.9
79.05498	0.8
81.03402	1.2
81.07041	0.4
84.08110	0.5
85.06512	0.4
86.09684	1.1
91.05478	2.3
95.01328	0.8
95.08588	0.6
97.02906	0.6
98.97579	0.9
100.01939	0.4
103.05433	0.9
105.03384	0.7
105.07004	0.4
107.04946	7.6
109.02880	0.8
112.13686	0.4
115.05451	4.2
117.07008	1.5
119.04944	0.9
119.08586	0.8
121.02853	4.3
121.03796	0.8
121.06438	0.5
122.49982	0.4
123.04457	0.5
128.06219	1.0
129.07004	1.0
131.04898	2.5
131.08578	2.2
133.02844	9.5
133.10092	0.4
134.03647	11.6
135.04346	0.5
141.06985	16.9
144.05678	1.9
145.06476	4.4
147.04413	4.6
147.08044	3.1
149.02335	9.8
152.06274	0.5
159.08063	2.8
168.05708	1.4
169.05029	1.1
169.06477	19.2
171.04439	0.5
172.05228	0.6
173.05968	3.6
175.07535	0.4
185.05916	1.5
187.07558	6.2
197.05975	23.6
198.06705	2.2
200.04738	1.0
201.05449	1.4
213.05496	1.2
214.06155	1.1
215.07019	100.0
216.07347	1.7
223.09204	0.7
225.05374	1.0
226.06256	1.2
228.64867	0.5
243.06509	84.2
244.06851	1.7
255.38774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	6.0
57.07070	7.8
67.05482	8.0
69.07055	11.7
69.89349	2.5
69.89766	5.9
79.05484	8.6
81.07051	10.0
83.08604	6.6
91.05476	11.9
93.03717	2.5
93.07036	7.7
95.08604	7.9
100.65321	1.6
105.07021	10.9
107.08588	4.2
109.10140	2.4
115.05439	3.6
117.07015	50.1
117.24345	1.3
119.08578	7.8
121.10110	4.1
128.06184	6.8
129.07004	31.2
131.07590	2.6
131.08557	46.8
133.10129	9.3
141.07031	2.0
142.07747	6.0
143.08554	30.8
144.09270	2.4
145.10114	25.2
147.11681	9.9
155.08441	2.1
156.09300	3.0
157.10114	25.5
159.11684	50.5
161.13287	2.4
169.10139	3.7
170.11005	1.8
171.11674	32.1
173.13242	43.4
183.11668	3.8
185.13245	40.8
187.14799	4.8
199.12975	2.3
199.14807	41.0
213.16316	8.8
214.16583	1.7
241.19493	100.0
242.19893	3.1
242.28418	3.0
254.97873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30699	1.6
51.68422	1.9
55.01870	2.8
56.96560	2.3
57.03426	5.9
58.06602	15.1
59.06919	6.4
69.03423	2.3
70.06582	3.2
70.57379	5.2
71.01337	2.9
73.02902	3.2
81.03397	2.7
83.06087	7.5
84.08138	8.2
85.02903	1.9
85.08485	3.1
87.04461	3.0
97.02882	4.9
97.80690	1.7
99.35202	1.8
101.02359	5.1
110.07184	2.1
115.03931	10.7
115.68801	1.7
124.08759	1.7
129.01837	6.5
129.11116	2.1
131.97414	2.1
133.03502	4.8
143.03429	5.3
148.04750	4.5
151.04517	2.7
154.86821	1.8
157.01341	7.9
161.04500	3.1
171.02785	1.6
189.03920	24.2
191.00276	2.2
196.04149	2.0
196.14429	1.8
197.10141	3.3
227.96008	1.7
242.09927	5.1
242.15800	100.0
245.91800	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01867	1.3
53.03947	1.4
53.62436	1.1
54.94654	1.0
55.05518	5.8
56.02633	1.0
56.96570	2.0
57.07090	1.7
58.91820	1.1
67.05506	29.9
69.07062	4.6
70.50687	4.1
71.04993	100.0
73.06556	1.7
75.80185	1.0
79.05499	14.1
81.06584	2.5
81.07055	45.0
83.08611	2.3
85.06548	6.6
91.05486	11.0
93.03712	3.3
93.07038	24.7
95.04975	3.5
95.08611	20.0
95.82253	1.4
97.06522	4.9
97.10168	1.2
99.08086	3.2
105.07018	6.7
107.08607	9.7
107.72893	1.1
109.06514	1.9
109.10098	1.1
111.08092	3.0
116.38406	1.0
117.07001	8.7
119.08601	1.7
121.06490	1.4
121.10173	2.8
129.06955	2.9
131.08571	8.9
133.10127	6.9
135.08041	1.7
135.11690	14.9
143.08557	2.2
145.10115	1.4
149.13264	10.1
157.10095	1.5
159.11699	17.1
164.39311	1.1
164.64162	1.1
171.11636	2.7
177.12779	5.1
181.10153	1.6
185.13268	2.7
199.15013	1.4
207.40172	1.3
209.15274	1.4
217.07481	1.8
241.08708	2.8
241.12186	1.5
241.15912	2.3
241.19635	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Chokol F
Peak:m/z	Relative Intensity
53.03948	1.2
55.01867	3.7
55.05511	22.0
57.07069	1.4
67.05504	9.9
69.03422	0.8
69.07063	4.4
69.69545	1.2
69.69965	4.3
79.05493	8.5
81.07053	14.3
82.98029	0.7
83.04981	100.0
83.08620	4.1
85.06538	1.2
85.10189	0.9
87.31572	0.8
91.05482	2.4
93.03680	1.4
93.07042	13.7
95.04982	1.1
95.08607	11.6
97.06540	1.8
97.10164	3.3
99.08052	0.9
105.07029	1.4
107.08591	12.3
107.81068	0.8
109.06540	0.8
109.07738	0.7
109.10188	4.2
111.08070	7.8
115.66026	0.7
117.07044	1.5
119.08546	0.9
121.06485	1.1
121.10141	7.4
123.11752	1.7
125.09650	2.9
131.08597	3.2
133.10062	1.0
135.08080	1.6
135.11671	1.3
135.55147	0.6
136.86502	0.7
137.09612	1.2
138.91852	0.6
145.10164	1.1
147.11699	1.3
149.09677	2.3
149.13272	3.5
153.09103	1.6
163.14824	14.3
163.16103	1.1
171.11894	0.7
173.13324	3.4
181.15919	3.6
191.14314	7.1
209.15350	16.0
212.98634	0.7
227.08461	0.7
227.16393	0.9
241.15498	1.2
241.19566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05507	5.6
56.96580	1.6
57.07072	3.2
60.45640	1.5
67.05503	27.3
68.47533	1.5
69.07063	7.7
71.04989	100.0
71.19415	3.7
73.06524	1.5
79.05488	15.4
81.07049	40.0
83.04977	1.4
83.08608	3.3
85.06536	7.6
91.05467	15.4
93.03711	3.8
93.07037	29.7
95.04980	3.7
95.08601	21.5
97.06530	4.1
99.08078	2.5
105.07019	9.4
105.86382	1.6
107.05000	1.4
107.08566	7.0
109.06542	1.7
109.10159	2.7
111.08106	4.2
115.05423	1.8
117.07029	11.7
119.08575	3.3
121.10143	4.5
128.06245	3.9
129.06985	9.6
131.08560	17.1
133.10104	7.7
134.99683	2.1
135.08028	1.7
135.11682	15.3
143.08578	10.1
145.10139	5.5
147.11725	2.3
149.13269	7.2
155.08577	1.6
156.09306	1.4
157.10098	9.4
159.11696	23.2
164.97118	1.4
169.10069	2.3
171.11687	11.1
173.13255	5.9
177.12727	6.6
183.11621	1.7
185.13229	11.1
197.13290	2.3
199.14848	9.0
213.05528	1.8
213.16496	3.6
241.04898	7.3
241.08755	2.0
241.15858	3.6
241.19542	28.9
242.05542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.96561	0.5
58.06599	22.4
60.43251	0.3
69.81913	0.8
69.82325	0.6
70.06593	3.8
71.04971	0.3
72.08147	0.5
81.03404	0.7
82.06599	0.2
82.89788	0.2
84.08141	11.3
98.06012	0.3
98.09698	1.5
98.21494	0.3
100.07595	0.3
100.11241	0.3
105.61328	0.2
114.05513	0.7
116.07062	0.5
123.04337	0.2
126.05508	0.6
126.09142	0.3
128.10703	4.0
144.10181	1.8
148.42448	0.2
152.10741	0.3
168.10197	1.1
176.75986	0.3
180.77460	0.2
196.09689	6.4
213.16039	0.4
215.69165	0.2
241.15460	100.0
242.15742	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.5
58.06597	19.7
61.02913	0.3
62.59061	0.3
69.03406	0.3
69.73652	2.0
70.06590	3.5
72.08137	0.5
81.03408	0.7
84.08138	9.4
85.02930	0.5
97.02866	0.5
98.06065	0.4
98.09695	1.7
98.21484	0.7
100.07583	0.8
100.11256	0.4
104.10739	5.8
114.05518	0.7
116.07044	0.3
119.01893	0.5
126.05486	0.4
128.10722	3.3
133.03484	0.5
138.69498	0.4
144.10184	1.3
152.07068	0.9
161.04681	0.4
168.10204	1.0
182.11824	0.4
196.09677	4.9
205.17871	0.3
213.16031	0.4
226.40508	0.4
241.15454	100.0
242.15782	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50626	4.0
55.01860	16.9
55.05502	15.8
56.96550	9.9
57.03431	4.6
57.07072	8.6
67.05489	19.8
69.03429	10.8
69.07049	16.7
70.06577	6.6
71.04987	6.4
71.57205	6.0
73.02896	5.7
75.02631	6.2
79.05489	14.8
81.03405	6.1
81.07052	41.2
83.01298	10.9
83.04990	10.2
83.08600	13.4
84.04482	4.9
84.08138	8.2
85.02882	6.4
91.05473	16.3
93.03721	22.8
93.07016	14.8
95.04971	10.2
95.08604	18.3
97.02882	11.8
97.06515	11.9
98.97571	7.6
99.04434	7.1
101.02380	100.0
103.93224	4.3
105.07011	12.1
107.04970	7.9
107.08569	23.5
109.06483	7.9
109.10127	21.1
116.98637	4.5
117.06977	5.9
119.08562	16.1
121.06461	8.0
121.10130	16.4
123.04421	8.5
123.08086	5.9
123.11721	64.7
125.05974	7.0
125.09632	7.4
129.07030	5.1
131.04877	5.2
131.08585	10.1
133.06485	6.1
135.04346	7.0
135.08043	9.3
137.09662	7.4
139.07593	6.8
141.05391	8.0
141.32524	4.2
144.09323	4.5
145.06476	6.1
145.10196	5.4
147.07947	5.1
149.09563	9.0
150.94377	4.8
151.03868	7.0
153.05473	6.1
153.24823	6.0
159.11687	13.4
163.03885	10.2
163.11195	4.8
165.09151	7.0
167.07048	21.3
177.12782	6.3
181.08627	5.1
187.11096	8.7
205.12210	13.4
223.13329	21.1
241.05026	6.6
241.08597	16.4
241.15865	15.5
241.19724	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63423	1.3
53.03936	2.0
53.06749	1.3
55.05265	2.0
55.05516	26.6
57.07079	100.0
59.39006	1.5
65.03941	1.8
66.90505	1.3
67.05510	64.4
69.06724	2.3
69.07069	26.1
69.64098	1.3
71.04998	3.1
71.08635	54.8
71.58904	1.8
78.14123	1.4
79.05498	8.3
79.71246	1.3
81.07060	64.6
83.08143	2.3
83.08624	34.3
83.79542	1.2
83.86520	1.4
85.06558	6.6
85.10190	31.8
86.98883	1.3
91.05473	3.3
93.07049	3.7
95.04897	1.4
95.08613	78.8
97.10168	10.0
99.04440	2.5
99.08071	3.1
105.07029	3.1
105.53709	1.6
107.08565	1.7
109.10163	25.8
117.07050	2.8
119.08592	3.1
123.11718	7.8
128.06235	2.2
129.07014	9.2
131.08575	2.2
137.13275	1.7
141.06996	10.3
143.08572	4.1
143.24757	1.5
145.10101	2.8
153.06979	1.9
154.07765	2.2
155.08537	10.5
157.10146	7.2
159.11703	4.6
167.08568	2.6
168.09348	2.9
169.10112	10.5
171.11684	8.3
181.10150	2.9
182.10852	2.4
183.10196	2.3
183.11708	16.9
197.13301	11.1
211.14778	3.3
239.17966	38.8
240.18205	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05515	45.1
57.03432	10.8
57.07065	21.2
59.05008	27.7
67.05500	25.2
67.61097	5.3
69.07068	48.6
69.48624	4.5
69.48905	50.4
71.04995	17.5
71.08633	6.5
79.05500	17.0
81.07061	85.7
83.04962	8.1
83.08611	21.9
85.06533	12.2
91.05474	13.7
93.07044	29.9
95.04974	5.5
95.08603	100.0
97.06516	14.0
97.10156	9.0
98.21494	12.6
105.07031	22.2
107.08588	48.8
109.06525	13.9
109.10153	56.0
111.08052	9.7
111.11736	10.5
119.08601	21.2
121.10127	27.6
123.11723	38.8
125.09581	6.4
131.60068	7.3
133.06468	5.1
133.10097	26.7
135.11699	23.7
137.13260	64.0
139.11153	16.5
143.10670	6.9
145.10056	6.8
147.11717	24.1
149.13286	11.2
151.11198	11.1
153.12784	7.9
161.13312	8.7
163.14809	19.5
168.09244	5.9
169.10121	11.2
183.11714	8.9
197.13289	13.3
203.17976	37.2
221.18951	35.4
222.89058	5.6
239.08978	8.3
239.14305	6.7
239.18079	13.1
239.20123	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17296	1.3
52.43275	1.2
52.43771	1.1
53.03952	1.3
55.05513	6.3
56.96555	1.8
57.07057	2.1
67.05495	12.8
69.07056	5.4
70.96211	3.8
71.04979	2.8
79.05492	8.2
81.07057	15.6
83.08620	3.2
85.06537	1.9
91.05458	6.5
93.07050	3.6
95.04964	2.2
95.08592	10.0
95.82780	1.4
97.02829	1.3
97.06516	2.8
97.10155	1.2
99.04472	3.6
105.07037	7.3
105.69093	1.4
107.08613	2.7
109.06528	2.0
109.10144	3.6
115.05450	1.7
117.06996	4.6
119.08573	4.8
121.10112	2.1
123.04473	2.2
123.11736	1.4
128.06206	4.7
129.06996	17.0
131.08569	8.0
133.10138	3.3
135.78229	1.2
141.06989	16.9
142.07817	6.8
143.08565	18.2
145.10144	11.8
153.06993	2.3
154.07779	4.2
155.08557	22.3
156.09309	3.6
157.10124	25.8
159.11710	8.7
167.08601	4.5
168.09349	7.4
169.10120	31.8
171.11682	34.2
173.13203	3.0
181.10126	5.1
182.10907	3.5
183.11700	32.3
185.13231	4.1
195.11696	3.3
196.12654	1.5
197.13257	39.6
198.13991	1.7
203.06943	1.5
209.13239	3.1
210.14087	4.1
210.92377	1.4
211.14838	9.7
211.24991	1.3
239.06941	1.5
239.08957	4.6
239.12781	4.3
239.17955	100.0
240.18159	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.2
57.07051	0.8
63.70681	0.4
65.03922	0.6
67.05503	4.8
69.07067	4.7
71.04964	0.7
71.42432	0.6
79.05494	4.6
81.06646	0.6
81.07055	6.7
83.08640	2.4
84.44362	0.4
91.05477	4.2
93.07043	3.0
95.04954	1.7
95.08601	5.6
97.10159	1.3
105.07024	3.6
107.08567	1.8
109.02865	1.0
109.10134	1.1
115.05465	1.4
117.07001	2.9
119.08556	2.7
121.10150	1.0
123.11659	0.9
128.06223	4.0
129.06995	12.2
130.07780	0.5
131.08559	5.8
133.10114	1.1
141.06985	14.7
142.07796	4.6
143.08546	12.2
145.10115	12.0
147.11699	1.6
152.06192	0.5
153.06982	2.3
154.07777	3.1
155.07225	0.8
155.08546	17.7
156.09323	3.2
157.10126	15.9
157.11157	0.3
159.11699	7.2
161.13484	0.5
164.82016	0.5
165.06902	0.6
167.08589	2.5
168.09335	5.8
169.10118	24.4
170.10794	1.5
171.11681	30.3
173.13272	1.2
175.11186	0.6
181.10127	4.0
182.10934	4.9
183.11682	38.4
184.12180	0.9
185.13203	3.1
195.11732	2.9
196.12523	1.2
197.13245	34.9
198.13847	2.4
209.13260	2.1
210.14014	4.2
211.14836	7.5
237.16377	1.2
239.08925	1.8
239.17932	100.0
240.18266	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
55.05262	5.7
55.05510	76.7
57.03406	4.8
57.07072	8.6
59.04984	6.2
61.69575	4.1
61.78654	3.7
64.23124	4.1
64.97578	3.8
65.03937	4.0
67.05486	11.2
69.03410	8.4
69.07050	15.0
71.04990	33.2
79.05470	10.1
81.07060	45.2
82.80122	3.8
83.04974	100.0
91.05473	11.4
93.07034	27.5
95.04967	11.7
95.08607	25.0
97.06514	21.4
97.10174	4.8
98.97593	7.2
99.08110	6.7
105.07028	24.5
107.08575	26.5
109.06504	12.1
109.10156	37.2
111.08112	9.7
119.08569	13.3
121.10161	43.7
123.08089	5.2
123.11681	17.3
127.11166	10.5
127.72281	4.6
131.08572	6.8
133.10120	51.0
135.11708	16.3
137.09535	4.1
139.11168	24.4
145.10075	15.1
147.11678	15.1
149.02374	5.6
149.09630	4.8
149.13249	13.3
151.11185	52.2
153.12730	5.8
159.11697	18.9
163.14848	5.3
177.12701	5.9
201.16385	16.1
202.02155	4.1
219.17421	25.9
229.72664	4.3
237.18506	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05504	4.5
55.94876	0.8
57.07061	1.7
62.60327	0.6
65.03943	0.7
65.37788	0.6
67.05507	6.0
68.69147	0.6
69.06716	0.8
69.07062	4.7
71.58102	0.6
71.58526	1.0
74.32692	0.6
79.05488	4.8
81.03443	0.7
81.07060	6.8
83.08620	2.1
83.77142	0.7
89.06022	0.8
91.05486	5.5
93.07052	3.6
94.21690	0.6
95.04951	1.3
95.08601	6.3
97.10152	0.6
103.05463	0.7
105.07030	3.4
107.08588	1.9
109.02870	2.0
109.06506	1.3
109.10137	2.1
111.04451	0.8
115.05463	1.0
117.07009	3.3
117.42439	0.6
119.08578	3.5
121.10123	0.9
122.84566	0.8
127.07530	0.7
128.06227	3.1
129.07014	11.9
130.07791	0.8
131.08577	6.4
133.10089	1.1
141.06984	14.2
142.07790	5.6
143.08562	12.1
145.10121	11.1
147.11684	1.4
153.07018	2.0
154.07797	2.8
155.08560	17.9
156.09340	2.4
157.10127	16.8
159.11716	7.1
167.08565	3.9
168.09369	5.3
169.10126	26.9
171.11700	29.5
172.12138	0.9
181.10114	2.4
182.10878	4.1
183.11694	40.7
184.12236	1.4
185.13254	2.1
195.11679	3.7
196.12561	1.0
197.13261	35.0
198.13843	2.5
209.13234	2.5
210.14040	5.7
211.14853	8.5
221.11717	1.0
221.15309	1.0
239.06836	1.1
239.08875	3.2
239.12863	2.2
239.17944	100.0
240.18277	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03933	3.9
55.01862	6.8
55.05516	23.5
56.96559	3.3
57.03427	6.1
57.07062	8.2
59.04996	7.3
67.05496	35.2
69.03422	7.3
69.07059	25.1
69.88641	5.0
69.89058	9.3
71.04989	26.0
79.05487	29.7
81.03409	4.7
81.07053	100.0
83.04969	10.7
83.08607	7.5
85.02924	4.0
85.06523	8.8
90.18587	2.2
91.05473	51.3
93.07042	85.1
95.04947	20.3
95.08599	56.1
97.06532	15.1
98.97578	4.1
99.08089	14.4
103.05464	2.3
105.07019	50.3
105.14007	2.6
107.04948	3.2
107.08587	53.3
109.06507	17.0
109.10152	29.9
111.08081	8.2
113.05998	9.1
113.09695	4.4
115.05460	3.7
116.98563	4.9
117.07022	9.9
119.08565	29.2
121.06471	6.6
121.10139	31.5
123.08032	11.0
123.11696	46.7
125.09635	7.8
127.07510	5.8
127.11195	8.1
129.07016	5.9
131.08542	18.4
133.10115	60.5
135.08051	11.8
135.11679	18.2
136.39310	2.3
137.09589	8.5
139.11163	3.8
141.06927	2.6
144.05739	4.2
145.10117	18.8
147.07980	3.0
147.11690	16.5
149.09628	8.3
149.13245	12.9
151.11180	67.0
155.10687	4.5
159.08032	6.5
159.11671	16.4
161.06018	3.2
161.13278	11.0
163.04279	3.0
163.07558	4.3
163.11185	7.4
165.12755	3.8
173.05835	2.4
173.13269	10.4
175.14839	4.5
177.00763	3.0
177.05429	2.5
177.09038	3.7
177.12770	6.2
177.16389	3.0
187.07497	6.3
189.16452	2.8
191.06964	2.7
191.08565	3.0
191.14317	6.3
191.17957	5.7
201.16348	16.7
215.44223	2.8
219.06512	6.1
219.10104	3.6
219.13821	7.3
219.17418	37.9
237.07446	4.7
237.11081	3.8
237.14919	6.4
237.18452	40.0
243.65581	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
55.05509	85.3
67.05497	31.5
69.03425	9.7
69.07055	16.9
69.35175	17.8
69.35593	29.7
71.04991	41.1
79.05486	19.7
81.07055	55.1
83.04976	100.0
83.08611	8.2
89.00610	4.5
91.05482	8.7
93.07054	36.3
95.04975	8.1
95.08597	24.2
97.06505	17.8
98.97573	7.0
99.08081	6.8
105.07018	35.2
105.16522	5.3
107.08596	33.4
108.28741	4.6
109.06527	18.1
109.10171	39.1
111.08110	15.7
114.71843	4.5
116.98622	6.1
119.08562	14.8
121.10150	47.2
123.08057	11.0
123.11689	20.2
125.09655	5.0
127.11202	11.2
131.08598	6.9
133.10132	58.7
135.11696	12.5
137.13087	5.8
139.11180	33.3
141.65065	4.7
145.10149	9.7
147.11699	11.2
149.09567	7.4
149.13261	15.6
151.11176	63.4
153.12714	7.6
159.11703	20.7
163.11189	5.3
165.07173	5.6
175.14772	5.4
181.12364	5.9
191.14282	6.6
201.16344	13.2
219.17456	20.0
237.18478	28.9
237.22110	6.2
257.98364	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
51.36519	3.0
55.05513	71.7
57.03411	3.3
57.07084	3.4
59.05001	3.6
67.05496	14.9
69.07053	8.8
69.33156	10.5
69.33575	16.7
71.04998	28.3
79.05479	10.6
81.07059	38.6
83.04983	100.0
83.08644	3.3
85.06532	3.5
90.93446	2.6
91.05469	8.0
93.07053	26.2
95.04954	9.8
95.08597	18.8
97.06534	18.7
98.21555	6.1
98.97570	6.4
98.98153	3.1
99.08085	4.1
105.07027	25.5
106.21285	2.5
107.08590	25.1
109.06496	6.8
109.09535	3.7
109.10151	28.4
111.08044	9.9
116.98620	5.3
117.07016	3.9
119.08582	6.5
121.10138	40.8
123.08027	4.4
123.11700	18.6
125.09686	4.0
127.11227	7.4
131.08580	4.9
133.10126	35.4
135.11681	10.4
137.01494	2.9
137.09644	3.3
139.11168	30.1
145.10123	9.3
147.03183	2.6
147.11671	11.9
149.09622	6.0
149.13232	12.3
151.11180	41.5
153.12715	6.6
159.11682	20.8
161.13235	6.7
162.44986	3.2
163.11159	5.3
167.14328	4.2
177.12772	3.6
185.80792	2.7
185.82462	2.8
201.16368	10.3
219.17351	16.3
237.18509	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.36813	1.1
53.03934	3.0
55.01854	4.5
55.05514	9.5
56.96550	1.8
57.03433	2.5
57.07071	1.7
59.08260	0.9
65.03939	2.4
67.05173	1.4
67.05505	18.9
67.85058	1.0
69.03402	2.3
69.07064	6.9
71.04979	2.4
71.58136	1.6
76.43869	0.9
79.05498	18.6
81.03394	3.1
81.06582	1.5
81.07059	25.8
83.04987	6.2
83.08607	4.4
85.06538	1.2
91.05484	18.1
91.34695	0.9
93.03423	1.1
93.06553	1.3
93.07053	12.8
94.07328	0.9
95.04971	28.1
95.08617	15.8
96.05306	1.1
97.06516	3.8
97.10172	1.5
99.04475	1.8
105.03381	2.0
105.07014	5.0
107.04971	9.7
107.08595	6.5
108.05744	10.0
109.06516	45.9
109.10148	6.6
111.08067	1.4
115.05455	1.0
117.07011	3.6
119.04932	6.7
119.08544	3.0
121.06496	8.2
121.10143	5.0
122.16776	0.9
123.08061	3.2
123.11694	1.5
125.09617	1.7
129.07008	1.4
131.08549	3.6
133.10127	3.6
135.04411	1.7
135.08031	3.8
135.11671	3.8
137.05963	4.1
141.06923	1.1
143.08575	1.3
145.10114	3.1
147.08044	1.5
149.02301	1.5
149.05966	16.6
149.13297	1.1
158.32562	1.1
159.08057	1.1
159.11693	3.5
163.03923	14.2
163.07512	1.3
163.11180	3.6
165.05482	87.1
166.05765	2.1
173.13255	2.5
177.09073	5.4
177.12761	2.4
179.07053	1.5
181.04971	14.8
181.10081	1.5
191.10693	5.2
191.14316	2.6
193.04933	1.3
195.11743	1.8
195.13846	1.1
201.12787	1.9
202.09898	1.3
207.10164	1.6
214.10094	1.6
219.10240	2.4
219.13821	7.4
219.21147	1.3
232.10855	5.8
237.11366	6.9
237.14832	100.0
237.22096	4.0
238.15166	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03938	0.8
55.01851	1.2
55.05506	2.6
56.96562	0.5
57.03434	0.4
57.07061	0.7
59.10607	0.3
65.03928	0.6
67.05505	3.7
69.03423	0.7
69.07066	2.5
71.04988	1.4
71.58468	0.6
79.05068	0.4
79.05498	5.6
81.06590	0.6
81.07052	9.7
83.04977	1.0
83.08614	1.2
85.02892	0.3
91.05470	3.4
93.07033	3.1
95.04360	0.6
95.04967	10.0
95.08602	2.8
97.06517	1.1
97.10133	0.7
105.07010	1.5
107.04946	1.3
107.08578	1.9
108.05738	11.5
109.06516	21.6
109.10151	1.4
111.08066	0.6
117.06995	1.2
119.08554	1.2
121.02892	0.3
121.06501	3.5
121.10119	1.1
122.07301	0.3
123.04398	0.6
123.08075	1.0
123.11663	0.6
125.09628	0.8
129.07050	0.4
131.08556	0.9
133.10123	0.5
133.62216	0.3
135.08038	1.1
135.11656	0.5
139.03850	0.3
145.10049	0.5
147.11615	0.3
149.02281	0.8
149.05946	0.5
149.09607	0.4
159.11646	0.8
163.07552	0.4
165.05505	0.6
177.12764	0.7
181.04878	0.4
181.10052	0.5
189.24367	0.3
193.05003	0.3
196.21391	0.3
201.12836	0.4
207.11824	0.3
219.10170	0.7
219.13791	1.4
219.17404	0.5
237.14836	100.0
238.15236	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75834	0.3
53.03938	1.0
55.01883	1.9
55.05510	7.5
57.03451	0.7
57.07079	3.3
59.04977	0.4
63.59023	0.3
65.03937	1.1
67.05502	8.8
69.03415	1.1
69.07058	4.0
69.69854	2.5
70.04562	0.3
71.04992	3.5
79.05491	5.9
79.52234	0.4
81.03414	4.6
81.07052	9.7
83.04980	3.2
83.08620	3.6
85.02911	2.2
85.06561	0.8
87.04485	0.5
91.05479	7.0
93.07043	6.7
95.04964	100.0
95.08604	8.1
96.05309	1.1
97.06534	2.1
97.10149	1.7
98.20721	0.4
103.05498	0.5
105.07014	3.7
105.15032	0.3
107.04968	1.2
107.08595	3.0
109.02910	0.9
109.06513	4.6
109.10155	2.8
111.04448	2.4
111.08060	1.3
115.05417	0.7
117.07033	3.7
119.08585	2.2
121.06483	2.9
121.10138	3.6
123.04439	0.8
123.08080	1.1
123.11702	0.7
125.02223	0.4
125.06017	0.9
125.09634	0.8
128.06218	0.4
129.07021	0.7
131.08566	4.3
133.10138	3.4
135.04488	0.6
135.08057	3.4
135.10789	0.3
135.11676	2.0
137.09598	1.1
138.38435	0.4
141.06987	0.4
143.08559	1.0
145.06381	0.4
145.10126	1.6
149.09624	1.0
149.13275	1.5
151.07571	0.4
153.05481	1.0
155.08553	1.1
157.10094	1.2
159.11690	3.4
161.09612	3.3
163.03850	0.6
163.11234	0.8
168.09315	0.5
169.10226	0.5
173.13272	1.6
177.12735	6.3
177.16405	0.4
181.04976	2.1
181.06355	0.4
183.11702	1.4
191.10664	1.7
191.14345	0.8
195.10152	1.0
195.11707	0.5
201.12804	1.9
203.98494	0.4
209.11700	3.1
219.10199	0.5
219.13835	1.2
219.17319	0.4
219.21059	1.0
237.11200	1.3
237.14653	3.8
237.18561	0.6
237.22028	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.47636	0.8
51.76200	0.8
53.03938	1.2
55.01855	1.0
55.05502	4.6
56.96552	2.1
57.07055	2.4
65.03920	1.4
67.05505	8.8
69.03420	1.7
69.07072	6.9
69.36140	5.7
69.36565	2.6
71.04976	2.1
71.39883	0.8
79.05486	12.5
81.03402	2.0
81.07055	15.4
83.04964	3.6
83.08616	2.5
85.06537	1.4
91.05474	5.8
93.07045	6.4
95.04962	21.8
95.08612	7.7
97.06528	1.8
103.05426	1.1
105.07027	4.8
107.04952	3.3
107.08590	6.4
108.05731	9.4
109.06514	22.4
109.10141	3.6
111.04455	0.9
111.08067	1.7
117.07008	2.3
119.08542	2.7
121.06499	5.5
121.10145	3.9
123.08030	2.2
123.11712	0.9
125.09595	1.6
131.08539	2.6
133.10118	1.7
135.08032	2.5
135.11679	1.3
136.96005	0.8
137.09573	1.3
145.06439	1.1
145.10066	2.5
149.02368	1.7
149.05904	1.1
149.09644	1.3
149.13301	1.8
155.08580	1.0
157.10194	1.2
159.11674	2.1
161.09583	1.0
163.07520	2.7
165.05518	2.3
167.08569	1.2
173.05940	1.4
177.12724	2.6
179.08592	1.3
181.10013	1.3
191.06955	1.1
191.10602	1.0
195.11670	2.6
201.12692	1.4
209.13225	1.3
219.13853	4.3
237.14813	100.0
237.22054	3.5
238.15144	3.3
238.17766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
50.31519	0.4
53.03934	0.9
55.01867	0.7
55.05507	6.6
56.96554	1.1
57.07069	0.9
59.05005	0.5
61.37117	0.5
65.03939	1.6
67.05504	7.7
69.07066	1.8
70.58825	0.5
71.04978	2.1
74.17627	0.4
76.28717	0.6
78.30185	0.5
79.05480	5.5
81.03409	4.1
81.07056	7.3
83.04983	2.1
83.08629	1.8
85.02913	2.4
85.06538	0.7
91.05475	7.0
93.07034	6.5
95.04963	100.0
95.08596	6.7
96.05297	1.3
97.06519	1.1
97.10155	0.9
98.21523	1.1
103.87114	0.5
105.07022	3.5
107.04964	0.9
107.08588	2.0
109.06528	4.2
109.10162	2.4
111.08091	0.6
115.05429	0.6
117.07017	3.1
119.02252	0.5
119.04896	0.8
119.08577	3.1
121.06493	3.1
121.10147	1.6
123.04387	0.7
123.08050	1.1
129.06992	0.5
131.08559	3.9
133.10115	2.6
135.08064	3.1
135.11661	1.9
137.09637	1.2
141.06982	0.6
143.08586	1.7
145.10155	1.5
147.04338	0.5
149.02336	2.1
149.05957	1.7
149.09619	1.0
149.13243	1.5
151.84927	0.5
155.08548	0.8
157.10159	1.3
157.70688	0.5
159.11674	4.3
161.09605	3.3
173.13268	1.9
175.11095	0.5
177.09128	0.6
177.12743	5.4
183.11697	1.2
191.10712	2.2
191.14275	0.6
193.04973	1.2
200.10242	0.4
201.12813	1.7
203.10677	0.5
209.11514	0.5
219.13817	2.0
237.07596	1.8
237.11171	1.0
237.14713	5.1
237.18436	1.0
237.22154	0.7
242.23306	0.4
255.08846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19159	2.9
53.03947	7.3
55.01864	9.8
55.05512	18.5
56.96563	6.7
57.03436	14.9
57.07074	8.5
65.03936	3.4
67.05498	24.8
69.03431	10.2
69.07069	18.7
71.04989	12.1
79.05488	25.4
81.03412	4.3
81.07065	34.4
81.11066	2.8
82.80491	3.3
83.04982	17.9
83.08622	6.7
84.08157	5.1
85.02937	3.9
85.06539	5.9
86.09703	9.4
91.05481	31.9
93.07039	34.2
93.45695	3.0
95.04957	16.3
95.08618	19.1
97.02875	5.3
97.06526	10.0
99.04465	3.8
99.08118	3.5
102.04686	6.3
103.05474	48.9
105.07027	32.2
107.04946	8.1
107.08586	34.8
109.06522	11.9
109.10123	15.2
111.08093	4.3
117.07019	14.0
119.04903	7.2
119.08586	13.2
121.06485	15.2
121.10138	12.6
123.04402	6.5
123.08057	12.2
123.11700	5.4
125.06010	4.7
125.09619	7.6
127.11236	4.2
128.06157	3.2
129.07016	6.4
130.04147	17.3
130.07840	3.5
131.04926	92.7
131.08563	12.4
133.06451	9.2
133.10143	12.6
134.99661	4.8
135.04407	3.2
135.08070	11.5
135.11690	9.6
137.06018	7.2
137.09593	6.9
139.11143	3.0
143.43068	3.1
145.10146	12.9
147.04370	7.6
147.08057	4.3
147.11702	5.2
148.05188	100.0
149.05931	9.8
149.09607	5.9
149.13293	4.5
151.07558	8.8
151.11151	29.7
153.05446	4.6
153.12787	3.6
159.08040	5.1
159.11690	11.5
161.05988	17.0
161.09674	5.2
162.06783	8.2
163.03899	6.2
163.07545	67.9
163.11227	6.3
173.09605	3.5
173.13239	6.4
175.07564	6.3
176.04774	3.3
177.00697	3.1
177.05486	8.7
177.09076	7.2
177.12701	6.4
179.08434	3.2
181.04987	6.5
183.11810	3.2
191.03369	3.0
191.14372	6.9
201.09015	3.5
201.12798	4.5
201.16425	3.8
211.58513	3.1
219.06558	10.6
219.10124	6.4
219.13882	8.5
219.17464	4.2
237.03918	3.5
237.07605	10.6
237.12732	4.4
237.14618	20.0
237.18413	7.2
237.22124	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81218	0.9
70.41525	3.6
70.41850	0.9
84.79048	0.9
92.38889	1.1
98.20804	1.0
133.01622	6.1
149.01120	100.0
151.20132	1.1
162.04283	23.3
176.05852	29.1
177.06609	10.2
189.00104	2.2
192.08952	8.0
236.07953	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.05492	1.2
55.42309	0.5
56.96579	0.6
57.03429	0.7
57.07069	1.2
60.51513	0.4
65.03920	0.7
67.05498	1.0
68.05025	0.7
68.21419	0.5
69.07051	1.5
70.05236	2.0
74.02435	3.4
75.03212	1.0
79.05479	0.9
80.05007	0.7
81.07050	1.6
82.02911	0.5
83.04982	0.8
83.08606	0.5
85.02877	0.6
91.05496	2.9
92.05003	0.6
93.07037	1.0
94.06577	4.0
95.01283	0.4
95.04971	1.4
95.08578	1.0
97.02893	0.6
97.06544	0.7
98.21527	0.6
99.00821	0.9
103.05446	1.0
104.04958	0.6
107.08612	0.8
108.04488	0.5
110.06032	1.4
117.05764	0.6
117.53191	0.6
118.06534	9.1
119.04960	0.5
119.06041	0.6
120.04439	2.4
120.08098	5.6
121.06501	0.8
121.10112	0.8
122.06017	0.8
123.11678	0.6
125.09624	0.6
127.52215	0.4
128.04956	6.1
130.06511	9.7
131.04945	1.2
131.07344	0.8
132.04413	2.6
133.05211	1.7
134.99664	0.5
135.04396	0.6
135.07945	0.6
135.11647	0.5
136.07568	7.2
145.06526	0.4
145.07599	1.3
146.06003	100.0
147.06366	2.0
148.03925	19.4
149.04288	0.8
150.05496	2.0
157.07596	7.3
158.06004	1.3
159.09180	1.8
162.05524	0.9
163.05980	0.6
164.07060	2.2
166.08627	2.6
173.07098	4.3
174.05505	16.6
176.07047	0.9
177.09138	0.6
178.04970	1.5
191.06416	1.1
191.08148	21.5
192.06532	4.1
202.04977	2.3
203.08160	5.2
204.08841	0.8
209.09505	0.5
219.07652	1.5
220.06012	4.5
222.10071	0.5
237.08817	6.6
237.14839	0.7
237.22125	1.8
237.38226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Caulolactone B
Peak:m/z	Relative Intensity
53.03936	4.4
55.01868	1.6
55.05503	7.1
56.96553	3.7
57.07074	19.1
64.56509	1.1
67.05501	28.7
69.03392	1.7
69.07070	7.1
70.82738	1.7
70.83044	2.0
71.04977	1.9
71.95242	1.3
79.05492	56.2
81.07059	19.5
83.08624	2.9
85.06503	2.4
91.05480	36.0
93.07043	100.0
94.07345	1.8
95.04963	12.5
95.08598	14.3
97.06584	1.2
99.08115	1.5
105.04494	3.2
105.07036	11.3
107.04926	2.2
107.08591	34.0
108.31627	1.1
109.06496	2.8
109.10150	3.6
117.06996	3.3
119.08580	13.7
121.06473	2.3
121.10143	46.9
122.10426	2.2
123.04472	1.4
123.08036	1.8
129.06937	2.0
131.08543	5.2
133.10121	12.1
135.08086	3.3
135.11679	8.8
137.09621	1.5
143.08575	1.5
145.10089	2.7
149.09662	1.8
153.09108	2.9
157.10097	2.7
171.11732	1.8
173.13191	3.5
175.14816	4.3
179.10658	11.0
179.12100	1.5
189.16438	3.0
199.13199	1.2
199.14789	6.2
213.08060	2.7
217.15877	4.3
231.08928	1.7
231.10927	1.9
235.16924	57.8
236.09285	1.5
236.17322	2.4
253.11229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
52.30765	0.9
53.03927	3.4
53.08012	1.0
55.01851	2.0
55.05513	9.2
56.96548	3.6
57.06791	2.4
57.07071	38.7
59.05004	1.0
60.54099	1.0
65.03925	2.0
67.05177	1.5
67.05502	24.2
69.03429	1.4
69.07072	8.4
70.65031	1.9
71.04972	2.6
79.05491	52.1
81.03403	3.1
81.07052	20.0
83.04952	1.5
83.08592	2.8
85.06522	1.2
91.05479	29.6
93.07040	63.7
94.07337	1.6
95.04971	9.5
95.08611	14.6
97.06529	1.4
97.10136	1.0
105.04503	1.5
105.07024	15.9
107.04927	7.6
107.08587	37.0
109.02879	4.5
109.06500	4.5
109.10126	4.8
110.05935	1.0
117.06998	3.1
119.08582	18.8
121.06491	3.5
121.10136	41.6
123.04435	3.2
123.08054	2.1
124.66774	1.0
129.06956	2.1
131.08551	4.3
133.06485	1.4
133.10126	14.1
135.08038	4.8
135.11694	10.5
137.09607	1.7
143.08490	3.1
145.10158	1.9
147.04193	1.0
147.08057	1.1
147.11673	3.3
149.09616	2.3
157.10118	3.1
161.09584	3.1
161.13332	1.5
171.11723	1.8
173.13297	2.2
175.11145	3.0
175.14821	7.0
179.10658	24.5
189.12752	2.4
189.16428	2.5
193.12213	1.5
199.14886	5.0
217.15826	5.1
217.19485	2.1
231.09064	2.6
235.07607	2.1
235.16910	100.0
236.17171	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03928	5.5
55.01855	2.1
55.05501	8.1
55.78226	1.4
56.96548	5.8
57.03428	1.6
57.07075	17.2
58.75243	1.4
64.84092	1.2
65.00862	1.2
67.05180	2.3
67.05505	33.9
69.07049	5.2
79.05493	63.4
81.03442	1.6
81.07059	23.9
83.04963	1.5
83.08613	2.8
85.06543	2.8
91.05481	40.5
93.07040	100.0
95.04967	14.1
95.08604	15.8
99.08018	1.5
105.04444	1.8
105.07032	11.6
107.04966	2.3
107.08594	33.9
109.06500	2.4
109.10120	3.9
111.08080	2.2
117.07005	6.5
119.08582	15.6
121.06539	1.7
121.10142	74.0
123.04401	1.7
123.08053	1.7
129.07013	2.1
131.08528	6.8
133.10129	15.1
135.08072	7.3
135.11694	11.9
137.09602	2.3
143.08563	2.6
145.10133	2.4
147.11652	1.8
149.09608	2.4
153.09138	3.2
156.22511	1.4
157.10115	4.5
171.03279	1.8
171.11707	1.7
173.13249	3.1
175.11249	1.8
175.14816	6.3
179.10651	12.5
189.04314	8.6
189.12694	1.5
189.16354	4.9
190.87521	1.3
199.13199	1.3
199.14711	7.1
207.05389	4.7
217.15884	5.0
235.16925	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03936	3.3
55.01860	7.4
55.05507	16.4
56.96538	2.7
57.03420	1.5
57.07072	44.1
59.04990	2.7
65.03910	3.1
67.05182	2.0
67.05499	32.2
69.03405	4.6
69.07065	16.7
70.35211	1.4
71.04996	11.0
71.57740	1.4
71.58141	2.4
79.05487	58.2
81.03384	3.8
81.07050	78.4
83.04988	10.5
83.08591	6.5
85.06519	6.4
91.05476	42.4
93.06479	2.6
93.07040	51.7
95.04962	18.3
95.08606	27.6
97.06524	21.1
97.10133	3.0
98.97540	1.6
99.04443	5.8
99.08105	2.6
101.05961	1.6
103.05434	5.1
105.07027	57.8
107.04942	13.6
107.07868	2.7
107.08588	41.1
109.05800	2.4
109.06512	37.5
109.10137	14.2
110.60380	1.4
111.04361	1.9
111.08051	4.2
112.73850	1.4
113.05976	2.6
115.05428	9.2
116.98627	2.6
117.07027	12.6
119.04928	3.0
119.08577	44.4
121.06495	64.2
121.10131	18.8
123.04433	9.1
123.08028	7.1
123.11687	4.2
125.05967	6.1
125.09632	2.7
127.07561	18.3
128.06223	7.2
129.06984	12.3
131.04924	2.0
131.08542	14.2
133.06480	10.7
133.10132	25.0
134.99622	1.6
135.04385	5.6
135.08038	21.2
135.11653	10.6
137.05980	10.6
137.09602	16.3
137.13205	1.6
139.07547	2.8
139.11203	2.6
141.06975	3.4
142.07750	14.0
143.04893	2.1
143.08559	21.5
145.06494	10.5
145.10098	11.3
147.08029	14.3
147.11691	28.6
149.09634	7.8
149.13228	4.3
151.07561	1.8
151.11197	2.7
155.08577	2.9
156.09340	9.8
157.06482	2.3
157.10127	27.4
159.08046	2.8
159.11685	7.9
160.05081	2.0
161.05936	3.8
161.09686	7.4
161.13266	24.0
163.03870	3.4
163.07562	3.0
163.11130	3.2
165.12801	3.8
166.07823	4.9
167.06985	2.5
171.08023	3.2
171.11662	25.5
173.05934	5.1
173.09612	4.2
173.13217	3.5
174.10194	1.6
175.07564	5.6
175.11192	29.5
175.14783	5.9
177.09070	3.1
177.12648	2.0
178.07726	1.8
179.10672	31.6
181.10126	3.7
189.05394	1.8
189.09113	2.0
189.12744	26.2
189.16385	9.4
193.08443	1.9
193.12274	2.1
199.09555	1.0
199.11180	29.0
199.14798	4.6
203.07013	2.6
207.10091	2.7
213.10068	1.7
217.08640	4.5
217.12236	46.2
217.15761	12.7
217.19530	8.0
235.09781	6.8
235.13309	39.8
235.16904	100.0
235.20396	12.6
236.17143	1.6
240.46758	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03932	4.2
55.01866	4.8
55.05509	7.9
57.07075	9.8
63.91952	1.0
65.03932	2.1
67.05497	10.3
69.03423	4.6
69.07060	3.8
69.36473	10.9
71.04979	4.8
77.03935	2.2
78.27725	1.0
79.05489	29.4
80.17874	1.2
81.03422	3.1
81.07056	44.0
81.31265	1.0
83.04979	6.7
83.08622	1.4
85.06535	1.8
91.05473	27.9
93.07037	41.9
95.04958	18.6
95.08605	10.6
97.06524	15.0
98.97592	2.4
99.04462	4.1
101.06017	1.2
103.05457	2.9
105.04530	1.2
105.07019	30.5
105.07681	2.0
107.04952	10.3
107.08598	15.9
109.06512	32.6
109.10140	3.6
111.04420	1.8
111.08078	1.3
115.05488	2.8
115.55361	1.1
116.98634	2.7
117.07017	5.3
119.05021	1.4
119.08569	16.9
121.06496	100.0
121.10165	3.8
123.04433	6.6
123.08096	3.5
125.05978	2.9
127.07564	11.5
128.06197	3.5
129.06989	8.9
131.04926	1.5
131.08563	10.6
133.06517	6.1
133.10135	6.5
135.04410	5.9
135.08023	10.6
135.11650	2.6
137.05986	6.0
139.07506	3.8
141.06966	2.7
142.07768	8.5
143.08551	11.1
145.06487	3.1
145.10118	7.6
147.08058	6.7
147.11681	16.8
149.02339	2.7
149.09608	3.5
151.07509	1.1
153.06969	1.4
155.08607	2.2
156.09361	5.1
157.06487	2.0
157.10101	17.8
158.07198	1.5
158.99672	1.5
159.08092	1.8
159.11736	2.1
161.05971	3.5
161.09641	4.1
161.13263	5.4
163.03923	2.4
165.07050	2.5
166.07822	3.4
167.03407	4.4
171.08081	2.0
171.11678	18.8
173.09596	2.7
173.13228	1.3
174.06718	1.3
175.07576	2.8
175.11174	30.0
175.14824	2.5
177.00751	1.4
179.03418	3.7
179.10648	6.6
181.10126	3.8
184.08788	2.2
189.05396	1.3
189.09067	5.3
189.12730	19.4
193.12285	1.5
199.07384	1.7
199.11179	23.4
217.08699	3.2
217.12231	35.2
217.15675	2.3
235.09654	18.3
235.13280	21.6
235.16905	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03939	3.8
54.97605	0.9
55.01867	4.8
55.05510	7.2
56.96563	0.9
57.07072	9.4
65.03949	2.0
67.05502	11.4
69.03424	3.7
69.07053	3.1
71.01402	1.0
71.04986	3.5
71.05364	0.7
71.42572	1.0
71.42899	0.9
77.03908	1.4
79.05492	32.0
81.07056	49.1
83.04994	6.7
85.06545	1.7
91.05479	23.3
92.05814	0.7
92.38976	0.8
93.07044	38.9
95.04979	12.3
95.08598	9.8
97.06526	12.2
98.97598	1.8
99.04447	4.9
99.82151	0.8
101.06065	0.8
103.05459	1.5
105.04507	1.0
105.07028	30.1
106.07366	0.8
107.04950	10.0
107.08594	13.4
109.06516	31.0
109.10159	2.2
111.04464	1.2
111.08056	2.0
115.05427	1.7
117.07011	4.7
119.04916	2.0
119.07788	1.6
119.08573	16.7
121.06503	100.0
121.10113	4.4
122.06759	0.8
123.04422	3.1
123.08121	4.2
123.16222	0.9
125.06010	1.7
126.56871	0.8
127.07563	13.7
128.06194	3.6
129.07010	8.8
131.08574	6.3
133.06516	5.4
133.10114	8.5
133.85994	0.7
135.04437	5.3
135.08057	9.9
135.11726	1.2
137.05972	7.1
137.09573	1.3
139.07529	4.7
141.06969	1.8
142.07764	7.0
143.08569	12.0
145.06500	1.7
145.10104	6.4
147.04379	0.9
147.08051	6.5
147.11676	16.3
149.05971	1.1
149.09608	3.3
151.02664	0.8
151.11185	1.0
153.07051	1.0
155.08562	2.4
156.09351	5.3
157.06477	2.5
157.10126	17.1
159.08078	2.7
161.05960	2.5
161.09570	3.0
161.13240	5.1
163.11220	1.0
165.07040	2.3
165.12851	1.1
166.07803	3.9
171.08037	1.2
171.11691	15.8
172.78320	0.8
173.09596	2.2
173.13309	2.0
175.07549	2.5
175.11189	30.0
175.14772	1.5
179.10689	6.0
181.10074	5.0
182.82748	0.8
184.08836	2.4
189.09102	2.3
189.12741	22.2
189.14438	1.6
189.16295	1.0
193.12224	1.3
199.11179	26.1
207.13728	1.0
208.47925	0.7
217.12236	38.2
217.15887	2.5
235.09613	1.8
235.13310	20.4
235.16888	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03933	4.1
55.01869	6.6
55.05515	10.3
56.96547	2.5
57.03429	1.3
57.07072	22.0
58.08679	0.8
59.04975	1.0
61.08965	0.8
65.03933	2.8
67.05170	1.2
67.05506	18.1
68.18989	0.8
69.03432	8.1
69.07076	8.0
71.05001	6.7
71.57623	1.4
71.63783	0.8
73.02895	1.5
77.03912	1.1
79.05492	39.7
81.03422	4.5
81.07056	63.9
83.04981	12.1
83.08597	2.4
85.02892	4.1
85.06533	2.7
87.12998	0.8
90.46085	0.9
91.04900	1.4
91.05477	30.3
93.07042	48.5
94.07371	0.9
95.04974	19.9
95.08602	17.5
97.02888	2.6
97.06532	14.0
98.97583	2.9
99.04451	6.1
99.08076	1.8
101.02456	0.9
103.05450	3.1
105.04495	1.4
105.07030	42.8
106.07348	1.5
107.04954	14.4
107.08600	20.0
109.02864	1.4
109.06516	38.0
109.10148	5.2
111.04426	2.4
111.08054	3.5
113.05992	1.2
113.09628	1.2
115.05434	4.9
116.98587	1.8
117.07027	11.7
119.04916	2.5
119.08580	29.7
121.06502	100.0
121.10133	6.1
121.33581	0.9
123.04433	8.3
123.08083	7.8
123.11697	1.6
125.05979	3.1
125.09687	1.6
127.07558	16.2
128.06207	6.3
129.05415	1.2
129.06993	11.2
130.07816	1.0
131.04898	1.8
131.08556	11.0
133.06479	9.7
133.10129	15.5
134.99684	2.2
135.04420	6.1
135.08055	19.0
135.11716	4.4
137.05962	9.3
137.09601	10.9
139.07527	6.2
141.06976	3.0
142.07776	8.8
143.07487	1.4
143.08551	17.0
145.06506	9.4
145.10114	8.8
147.04422	1.8
147.08049	11.3
147.11681	19.9
149.05986	1.2
149.09634	9.5
149.13188	1.5
151.03900	1.7
151.07524	2.3
153.06998	1.2
155.08543	2.8
156.05638	1.2
156.09360	7.2
157.06487	2.4
157.10120	23.2
158.07236	1.6
159.08043	4.0
159.11687	3.9
160.08821	1.9
161.05975	3.6
161.09634	7.0
161.13275	7.4
163.07550	1.2
163.11171	2.0
165.05557	1.4
165.06978	2.4
165.09081	1.4
165.12653	2.5
166.07774	3.9
169.06433	1.3
171.07986	2.6
171.11696	22.1
173.05963	5.7
173.09642	2.7
173.13261	2.7
174.10439	1.0
175.07605	5.4
175.11186	39.6
175.14809	3.9
176.11562	1.3
177.09082	2.1
177.12767	2.8
179.03406	3.3
179.07002	1.8
179.08429	1.3
179.08975	1.2
179.10680	16.8
181.10126	5.2
184.08859	2.7
189.05449	1.8
189.09103	3.3
189.12737	24.8
189.16362	2.7
190.06242	1.6
191.10626	1.4
193.04961	1.1
193.08556	1.4
193.12178	1.4
199.11177	30.9
199.14786	3.0
203.07082	1.8
207.10025	1.2
217.08643	3.2
217.12238	44.5
217.15479	5.4
217.19473	1.2
220.12383	1.5
235.02303	1.0
235.07593	1.6
235.09587	3.6
235.13260	24.9
235.16916	56.6
235.20667	2.7
236.13623	1.2
244.07741	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0601
Annotation	HOHPDA
Peak:m/z	Relative Intensity
55.05502	1.6
56.04982	1.0
56.96546	2.7
57.03434	1.1
57.07078	53.6
60.04501	1.4
60.57994	1.0
61.29869	1.0
65.13564	1.0
67.05495	3.2
69.03430	1.6
69.07069	1.6
69.69888	7.7
69.70268	0.8
70.06586	1.0
74.06055	2.3
79.05473	2.5
81.03407	1.5
81.07033	3.1
84.04501	1.5
85.02911	1.5
91.05466	6.1
93.07050	1.6
95.04951	3.6
95.08590	4.0
98.97577	2.3
103.03925	1.3
103.05444	1.7
105.07016	7.9
107.04948	2.8
107.08588	1.9
109.10128	2.2
115.05454	41.0
116.98647	1.3
117.07006	3.2
119.04900	1.3
119.08563	2.2
120.08111	2.1
121.06406	1.0
121.10108	1.7
123.04420	5.2
123.08090	1.4
129.06953	2.0
130.06482	1.2
133.06476	5.6
133.10095	1.4
134.99625	1.6
135.04433	2.2
135.08093	1.4
137.06000	1.4
138.78992	1.0
143.04926	56.5
145.06473	3.9
147.04413	28.0
157.06409	1.5
160.05148	1.5
161.05981	75.0
163.03932	2.6
163.07512	2.6
165.05479	3.9
171.04419	12.3
173.06055	1.9
175.03934	9.3
175.07481	2.1
179.03389	1.8
179.07100	1.7
179.10669	30.3
189.05470	87.0
189.08952	2.6
190.05861	1.6
191.07059	1.5
199.03883	2.6
207.06526	4.0
217.04985	8.6
235.02368	2.3
235.06001	17.3
235.09662	1.9
235.16928	100.0
235.20695	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
53.03945	7.0
54.36012	1.1
55.01877	7.6
55.05512	12.4
55.52569	1.3
56.96555	2.2
57.03437	1.6
57.07074	45.0
59.04975	2.2
60.63087	1.4
64.22109	1.2
65.03930	1.6
67.05175	2.2
67.05502	25.0
69.03412	2.8
69.07068	10.8
70.01892	4.2
70.02310	1.8
71.04986	6.3
79.05061	2.3
79.05492	30.9
79.53632	1.2
81.03420	10.9
81.06583	2.2
81.07049	35.1
83.04978	6.0
83.08617	4.5
85.02872	2.0
85.06533	5.0
91.04916	1.1
91.05479	33.5
93.07037	52.0
95.04964	31.6
95.08604	21.8
97.06522	7.2
97.10150	1.8
99.04430	2.1
99.08070	1.5
103.05466	3.1
105.03368	1.7
105.07026	30.1
107.04951	100.0
107.08592	21.7
108.05231	1.6
109.02888	1.6
109.06495	9.8
109.10149	11.0
111.04427	1.6
111.08061	2.2
115.05439	4.3
117.06996	9.3
119.04913	1.4
119.07784	2.1
119.08575	22.5
119.09361	2.2
121.06496	37.6
121.10133	17.3
123.04411	5.5
123.08066	8.5
123.11677	4.0
125.09599	2.4
126.44919	1.4
127.07554	4.2
128.06230	1.7
129.07004	7.7
131.08548	7.6
133.06462	5.5
133.10120	19.9
135.08069	11.5
135.11670	6.3
137.05952	2.9
137.09628	9.0
137.13243	1.4
139.07509	1.6
139.11130	2.0
142.07808	2.1
143.08569	7.3
145.06485	3.5
145.10117	5.6
147.04378	1.9
147.08038	5.7
147.11658	14.6
149.09633	4.2
149.13235	4.5
151.07574	1.9
151.11174	2.8
153.09113	1.8
155.08582	2.7
156.09267	1.5
157.10117	12.5
159.08081	2.3
159.11642	4.2
161.06006	3.6
161.09576	3.4
161.13242	12.7
163.07513	3.9
165.12772	1.2
171.08052	1.5
171.11681	8.4
173.05983	2.5
175.07602	2.9
175.11172	12.6
175.14815	4.5
177.16341	2.1
178.07814	1.6
179.08585	2.7
179.10657	29.4
189.05438	1.8
189.09157	1.8
189.12733	6.7
189.16389	4.0
191.07011	1.8
193.10149	1.7
193.12245	2.1
199.11263	6.7
199.14799	4.5
217.08572	2.1
217.12325	8.1
217.15906	6.4
217.19458	8.9
219.13777	1.2
220.12494	2.4
235.09587	3.7
235.13289	17.2
235.16910	97.5
235.20457	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.01863	1.9
55.05516	6.9
57.03430	2.1
57.07077	3.9
59.05000	3.8
60.04520	1.1
65.03944	0.7
67.05508	1.5
69.03423	0.9
69.07070	1.5
70.02956	9.9
70.06603	1.5
71.04974	0.8
71.08626	5.2
71.57290	0.8
71.57686	0.8
71.75462	0.7
72.04520	11.9
73.02911	1.8
74.02438	2.0
74.45393	0.7
76.74231	0.8
79.05493	6.4
81.03456	0.8
81.07061	25.6
83.08625	5.8
90.05556	100.0
91.05473	1.4
93.07069	1.5
93.31017	0.7
95.04993	0.8
97.02839	0.8
98.02419	10.1
99.08105	8.3
100.03957	0.9
101.09650	1.4
105.07028	1.2
109.06517	22.1
110.06028	1.4
110.09697	1.9
114.05554	0.9
115.05450	1.0
116.03448	15.2
117.07057	1.5
117.09163	2.8
120.08080	0.9
121.06532	1.4
126.09204	0.9
127.07556	1.9
131.04958	0.8
138.09135	19.3
145.08594	2.2
147.08035	1.0
156.10262	4.1
161.05891	1.2
170.11722	1.1
174.11214	0.9
175.07478	1.1
179.10722	1.7
180.10301	2.3
188.10770	0.8
198.11267	25.6
216.12311	17.2
234.08018	1.0
234.13286	15.1
234.18777	1.2
235.09981	1.0
235.13422	0.9
235.16916	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2261
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03941	2.2
53.96198	0.7
55.05508	15.0
57.03461	0.8
57.07063	3.1
65.03934	2.0
66.10142	0.7
67.05503	100.0
69.03466	0.8
69.07068	16.1
69.23562	0.7
70.83070	0.7
71.58685	1.3
72.79581	0.7
76.15052	0.8
77.63101	0.7
79.05493	27.7
79.63758	0.7
81.07056	96.2
81.39012	0.8
83.08620	7.2
83.23699	0.9
91.05481	9.9
93.07043	31.8
95.04965	3.2
95.08607	83.2
96.08950	1.0
97.10162	4.8
103.05453	1.0
105.07037	5.5
107.04950	2.2
107.08593	13.2
108.20506	0.8
109.06516	1.5
109.10152	39.5
109.84570	0.9
111.11701	0.9
111.85774	0.8
117.06989	1.7
119.08567	3.3
121.06544	1.4
121.10143	24.0
123.11705	14.9
128.71480	0.8
129.06996	1.3
131.08551	2.9
133.10133	1.4
135.11684	22.6
136.89198	0.8
137.13258	8.1
145.10124	1.5
147.08112	1.4
147.11630	0.8
149.09625	2.0
149.13249	9.6
151.14845	4.3
163.11247	1.7
163.14819	4.6
173.13286	1.3
175.11258	1.0
177.16412	2.1
191.18004	1.2
215.14372	1.7
233.15460	6.2
233.19002	34.0
233.22659	54.4
234.19080	0.9
234.22858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2262
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03946	2.2
55.05506	14.7
57.07067	2.3
64.24491	0.5
64.95744	0.5
65.03933	2.9
67.05500	100.0
68.05823	0.9
68.41609	0.5
69.07062	13.9
69.08501	0.6
71.13737	0.7
71.14084	1.0
76.70857	0.5
79.05486	25.4
81.07050	97.6
82.07384	0.8
83.08618	8.1
91.05479	6.5
91.96255	0.5
93.07037	27.3
95.04964	3.9
95.08600	83.7
96.08981	0.5
96.40601	0.5
97.10159	4.2
105.07031	5.9
105.07697	0.8
107.04950	1.6
107.08593	15.5
107.44396	0.5
109.06490	0.9
109.10147	36.1
111.11704	1.4
117.06977	1.2
119.08572	2.7
121.06483	0.9
121.10134	23.1
123.11701	13.0
131.08546	2.2
133.10107	1.2
135.08095	1.2
135.11676	19.9
137.13237	8.0
143.08585	0.5
145.10068	1.3
147.08080	0.8
149.09616	0.9
149.13252	8.1
151.14804	4.7
159.11603	1.0
163.11116	0.9
163.14818	3.6
173.13240	0.5
174.20209	0.5
177.16336	1.8
187.14818	0.5
191.14386	0.7
191.17859	0.8
213.87653	0.5
233.15544	4.1
233.18927	28.4
233.22565	53.0
234.19247	0.8
234.22826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03939	3.8
55.01855	3.8
55.05510	14.8
56.05020	5.2
56.96558	1.5
57.03415	3.6
57.07074	8.7
58.06595	3.4
59.01304	1.2
65.03921	3.3
66.25414	1.7
67.05500	33.7
67.07453	1.1
68.99760	1.3
69.03407	4.6
69.07063	13.3
71.04630	1.1
71.04984	6.4
71.08609	3.2
71.58457	1.7
74.06084	6.2
79.05490	35.0
81.03393	2.6
81.06590	2.7
81.07050	42.5
82.07377	1.5
83.04985	7.5
83.08590	5.1
85.02870	1.5
85.06513	4.0
85.13498	1.2
88.07622	15.2
91.05476	47.1
91.08348	1.2
93.07042	45.9
95.04971	10.6
95.08601	35.7
97.06530	12.6
97.10155	2.4
98.98453	1.5
99.04443	2.9
99.08080	2.0
103.05447	3.3
105.03365	1.6
105.07026	48.1
106.07344	1.5
107.04939	5.5
107.08588	30.8
109.02869	1.3
109.06516	13.0
109.10152	17.4
111.04507	1.6
111.08064	4.4
115.05435	6.4
116.06193	2.3
117.07011	38.0
118.08643	2.9
119.04933	5.4
119.08573	38.0
121.06492	6.8
121.10143	28.9
122.08144	3.3
123.08051	6.5
123.11692	7.1
125.09585	2.3
128.06229	2.9
129.07005	9.0
130.07770	4.8
131.04897	3.0
131.08565	60.3
133.06496	2.6
133.10124	38.9
135.08057	8.6
135.11687	19.9
135.12682	1.6
137.05969	3.1
137.09584	6.1
137.13239	3.3
139.11136	1.3
141.06998	3.1
142.07710	1.3
143.08560	5.3
144.05667	4.0
144.09357	2.4
145.06462	9.1
145.10115	50.3
146.10567	1.3
147.04353	1.6
147.08023	3.4
147.11676	21.0
149.06006	2.2
149.09598	8.3
149.13252	10.8
151.11150	3.4
153.09059	3.0
154.07724	1.8
155.04884	1.9
155.08533	1.7
157.10139	4.5
158.07272	2.7
158.10909	1.4
159.04428	2.4
159.08023	5.2
159.11687	47.9
160.12038	2.4
161.05905	2.1
161.13220	7.2
163.07521	2.9
163.11179	7.1
163.14825	1.7
165.09135	1.5
169.10112	3.6
171.11674	4.2
172.05157	3.2
173.05992	2.8
173.09613	23.3
173.13254	35.8
174.06731	3.6
174.13815	1.6
175.07584	2.5
175.11134	4.2
175.14847	8.0
177.09087	4.3
177.12721	3.6
186.18513	21.4
187.07567	4.9
187.11169	14.8
187.14780	17.1
189.09099	3.5
189.16353	18.6
190.06271	1.8
191.03368	4.2
191.10693	2.3
191.14282	3.3
197.09622	2.1
197.13264	1.8
200.04646	1.6
205.08571	5.9
205.12215	2.6
205.15796	2.2
205.19633	1.4
215.06982	2.3
215.10672	7.9
215.14348	6.4
215.17940	100.0
216.18166	2.0
218.10954	1.4
233.04424	3.5
233.07996	11.7
233.11664	12.2
233.15434	20.6
233.18987	76.8
233.22638	3.0
234.20691	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03925	3.7
55.01869	2.2
55.05312	1.3
55.05510	12.5
57.03448	1.8
57.07076	1.7
65.03921	3.0
67.05167	2.6
67.05500	29.3
69.07052	10.5
69.25923	7.6
69.26356	11.0
71.04967	1.9
73.06506	2.3
79.05070	2.9
79.05490	43.1
81.07043	27.1
83.04955	1.9
83.08608	4.4
85.06586	2.5
91.05478	81.5
93.07040	26.9
94.18635	1.8
95.04948	8.7
95.08599	15.1
97.06513	2.8
103.05457	7.3
105.07024	100.0
107.04296	1.9
107.04951	19.5
107.08572	13.5
109.06474	4.2
109.10175	8.0
109.10754	1.5
117.07008	27.5
119.08576	54.3
121.06497	10.7
121.10117	7.2
123.08035	6.1
127.03480	1.4
128.06114	1.7
129.06966	9.0
131.08563	48.6
133.06487	3.8
133.10132	18.3
135.08044	10.1
135.11659	6.8
137.09518	1.6
141.06978	3.4
143.08574	4.4
145.10109	20.9
147.08009	3.5
147.11679	4.1
149.09653	7.5
151.07495	2.3
155.08530	5.7
159.08084	2.0
159.11710	8.1
163.11119	3.0
167.08632	1.8
169.10069	6.8
171.11664	8.2
173.09637	2.1
173.13249	20.9
174.51012	1.5
187.14786	10.8
197.13278	11.2
205.15919	4.4
215.14301	10.5
215.28065	1.7
219.48680	1.7
233.11723	2.6
233.15344	60.1
233.18813	10.3
233.22546	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.02353	1.7
53.03944	4.3
54.45975	1.8
55.01859	3.8
55.05503	9.8
57.07072	5.2
59.04977	3.9
67.05228	1.7
67.05504	18.4
69.03430	19.5
69.07072	11.4
69.88875	5.2
69.89291	5.3
70.06553	2.3
71.04986	6.9
75.07871	1.8
79.05487	49.8
81.03407	5.1
81.07054	24.5
83.04980	4.5
83.08614	8.3
84.27760	1.7
85.06520	5.2
85.32047	2.3
91.05479	42.9
93.07038	31.4
95.04974	29.9
95.08613	19.4
97.06522	8.3
99.04454	3.4
100.42081	1.7
103.05469	6.6
105.07027	52.7
107.04945	39.3
107.08584	35.4
109.06496	9.7
109.10159	14.7
111.08072	3.0
113.06024	2.5
115.05421	5.9
117.07024	22.1
119.04940	4.9
119.08575	100.0
121.06505	13.0
121.10133	25.5
123.08057	8.8
123.11684	3.4
125.05920	2.7
125.09603	2.7
128.06267	4.6
129.06967	7.2
130.07774	5.0
131.04924	4.4
131.08556	36.3
133.06470	13.5
133.10126	20.0
135.08043	10.7
135.11665	6.9
137.05971	4.4
137.09636	12.6
141.06985	5.9
142.07785	4.3
143.08533	10.8
144.05623	2.1
144.09341	3.5
145.06477	12.8
145.10120	53.1
147.08043	26.1
147.11678	16.1
149.06007	2.9
149.09621	14.1
149.13251	4.2
150.49493	1.9
151.03955	4.9
154.07718	2.6
155.08549	5.2
156.09285	5.0
157.06479	2.4
157.10088	9.5
158.07269	2.8
158.10866	2.3
159.08047	8.9
159.11674	23.1
161.05925	5.5
161.09586	3.4
161.13266	4.4
163.07524	3.9
163.11189	9.1
167.08551	2.7
169.10144	8.3
171.11678	6.9
172.05161	3.1
173.09627	31.1
173.13255	17.3
175.07513	3.7
175.11183	14.5
175.14827	2.1
177.05476	6.1
177.09137	4.1
182.10936	6.2
187.11227	15.1
187.14803	14.4
189.09084	3.2
189.12738	9.4
191.03380	4.6
191.10640	4.0
191.14275	35.8
191.15860	3.5
197.09534	2.3
197.13187	9.7
205.08565	3.9
205.15793	3.1
215.10707	6.9
215.14299	20.0
215.17831	5.1
233.08020	9.4
233.11829	12.8
233.15356	90.7
233.18800	10.9
233.22951	15.1
234.15710	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03940	9.2
55.01869	14.6
55.05514	24.0
56.96571	9.3
57.07060	5.0
62.83312	4.0
65.58654	4.0
67.05508	44.9
67.35203	4.5
68.36775	4.1
69.03429	6.2
69.07060	13.8
70.78342	9.3
70.78716	10.8
77.64639	4.6
79.05495	96.7
81.03416	7.9
81.07053	40.6
83.04983	6.8
83.08645	8.1
91.05482	69.3
93.07051	36.5
95.04957	25.6
95.08601	24.5
97.06557	6.4
97.10175	6.7
103.05510	5.6
105.07040	53.0
107.04961	82.3
107.05633	7.5
107.08591	36.4
109.06532	11.5
109.10172	13.7
115.05437	6.1
117.07011	31.6
119.08573	38.2
121.06500	47.6
121.10167	13.8
123.08068	4.7
125.12019	4.9
129.07011	9.7
131.08571	31.3
133.06514	9.7
133.10138	17.5
135.08064	14.0
141.06963	4.9
143.08521	6.1
145.06479	8.4
145.10120	26.0
149.05971	5.1
149.09631	6.2
155.08566	9.3
159.08095	5.0
159.11777	10.0
171.11667	8.4
173.13295	19.9
177.09183	5.9
187.14857	21.9
197.13358	7.7
215.10739	6.1
215.14340	28.7
233.08171	7.3
233.11661	10.7
233.13298	10.8
233.15349	100.0
233.18970	8.0
235.61957	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03923	5.3
55.01863	4.5
55.05510	11.6
56.96537	2.4
57.07053	1.9
58.96780	1.8
65.03925	3.7
67.05500	21.8
69.03417	6.4
69.07073	13.2
69.18436	1.6
70.54008	5.3
71.04996	3.7
74.57346	1.6
74.66092	1.9
79.05486	70.4
81.03416	2.2
81.07050	22.8
82.80772	1.7
83.04979	4.3
83.08606	6.0
85.06525	3.1
91.05477	56.3
93.03379	5.8
93.07038	27.0
95.04963	31.9
95.08603	17.7
97.06512	5.3
97.29694	1.6
103.05466	4.7
105.07034	55.4
107.04952	98.4
107.08594	19.7
109.06528	6.0
109.10133	5.2
110.74764	1.9
111.04398	2.2
111.08086	4.0
115.05447	4.9
117.07016	19.1
119.08572	28.9
121.06474	12.0
121.10114	10.0
123.08025	4.4
129.06996	8.9
131.08543	28.0
133.06493	18.0
133.10123	12.7
135.08032	8.0
137.09584	2.8
141.06998	6.4
143.08537	5.9
144.23199	1.7
145.06485	5.0
145.10130	12.3
147.08014	9.4
147.11667	7.6
149.06044	2.4
149.09599	9.7
149.13213	3.5
155.08556	5.5
157.10115	5.1
159.08028	5.0
159.11664	7.7
163.11194	2.0
169.10135	2.7
171.11694	7.8
172.05130	2.7
173.09613	6.8
173.13251	12.7
175.11191	11.0
177.05508	3.7
177.09079	2.2
187.07530	1.7
187.11139	4.0
187.14838	8.6
189.12672	2.5
191.12689	3.8
191.14304	44.1
197.13269	5.0
215.10693	2.0
215.14250	13.3
233.11681	6.4
233.15347	100.0
233.19005	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.19733	1.2
53.03930	3.6
53.43100	1.4
55.01862	2.1
55.05499	5.7
56.96555	1.6
57.07059	5.2
58.38921	1.3
67.05500	9.1
69.03408	6.4
69.07047	5.4
70.18280	6.0
71.04975	4.1
79.05489	60.3
81.03412	3.1
81.07058	14.0
83.04954	4.3
83.08598	6.4
85.06529	2.9
85.32249	1.4
91.05473	23.6
93.07043	15.1
95.04951	10.5
95.08607	8.0
96.07653	1.3
97.06534	1.2
98.20811	1.6
103.05455	3.1
105.07031	27.3
107.04951	51.0
107.08595	13.6
109.06493	4.7
109.10165	1.9
111.08051	3.5
115.05492	2.1
117.07000	11.0
118.95499	1.4
119.04988	1.5
119.08572	24.7
121.06512	9.8
121.08765	1.4
121.10159	9.2
123.04377	1.6
123.08003	2.0
125.09632	3.6
129.06996	4.0
131.08563	19.7
133.06473	3.8
133.10118	10.9
135.08038	7.6
135.11694	1.8
137.09615	3.9
141.06920	2.2
142.07730	2.0
143.08516	2.2
145.06419	1.9
145.10117	16.1
147.08063	11.4
147.11670	11.6
149.09624	9.0
149.13297	3.1
155.08571	2.4
157.10112	4.8
159.08031	3.6
159.11685	5.2
161.05966	2.1
161.09673	1.5
163.11160	5.0
165.17836	1.3
169.10107	3.3
171.11664	4.0
173.09596	3.8
173.13271	12.6
175.11160	16.4
177.09116	1.8
177.13123	1.4
179.96237	1.4
187.11125	3.1
187.14856	4.8
189.12799	2.8
191.06921	1.6
191.14299	47.6
197.13254	3.4
215.14308	8.9
215.17937	2.8
217.15813	3.5
233.07887	2.5
233.11641	4.1
233.15358	100.0
233.18854	15.7
234.15698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01883	2.0
55.05511	2.2
55.99505	0.5
56.96568	1.1
57.03455	0.8
65.03951	0.8
67.05499	5.3
68.99786	0.6
69.03429	3.7
69.07066	3.1
69.34056	1.1
69.34457	4.9
71.04995	2.0
79.05495	8.8
81.03414	1.0
81.07060	5.8
83.04985	1.5
85.02915	1.2
85.06561	1.1
86.09701	0.8
87.00841	1.2
91.05478	15.4
93.07046	8.2
95.04965	6.3
95.08614	3.2
97.02910	0.7
97.06535	4.9
98.21517	0.9
98.97587	1.4
99.04449	2.7
103.05468	2.3
105.07027	25.4
106.07272	0.5
107.04941	5.7
107.08595	5.6
109.06515	3.0
109.10157	1.3
111.04483	0.8
111.08094	0.6
113.05968	0.6
115.05451	2.9
116.06271	1.2
116.98626	1.2
117.07011	12.3
119.04961	6.1
119.08571	8.7
121.02847	0.5
121.06506	7.9
121.10145	3.2
123.04430	0.7
123.08081	1.8
125.06011	0.7
127.07555	0.7
128.06229	3.4
129.07022	5.4
130.07785	8.4
131.04933	2.3
131.08569	9.6
133.06476	4.2
133.10118	3.9
134.09810	0.5
134.99632	0.8
135.04391	1.1
135.08087	2.6
135.11700	1.7
137.05969	4.9
137.09607	1.2
139.07538	0.8
141.07013	3.6
142.07802	0.8
143.08551	5.1
144.05696	1.6
144.09337	2.3
145.06499	5.8
145.10120	43.0
146.10500	1.1
147.04422	0.7
147.08029	3.2
147.11694	6.6
149.06006	0.9
149.09593	1.6
151.03925	0.9
153.06932	0.7
154.07771	2.0
155.08575	2.3
156.09286	0.6
157.06467	1.0
157.10118	1.2
158.07286	4.0
159.04391	1.5
159.08060	4.2
159.11697	10.5
160.05258	2.6
160.08879	0.6
161.05975	4.7
161.09621	1.9
161.13252	0.8
162.06766	0.6
163.07538	1.0
163.11179	10.0
169.10123	5.9
171.07990	1.4
171.11703	2.0
172.05211	1.5
172.08844	2.0
173.09621	100.0
173.13228	2.6
174.09964	2.5
175.07538	1.3
175.11182	1.1
177.00647	0.8
177.05437	0.6
177.09090	1.0
179.08556	1.4
181.06497	0.6
182.07275	0.9
182.10815	0.6
187.07491	1.8
187.11192	18.9
187.14813	1.7
188.11514	0.7
189.09131	3.2
189.12682	3.7
190.06232	0.6
191.07089	0.9
191.10635	2.8
197.09628	4.6
197.13240	0.9
200.04617	1.4
205.08438	1.0
205.12184	3.0
207.13872	0.6
213.07864	0.8
215.07184	3.5
215.10692	11.7
215.14084	2.5
215.17896	1.5
233.04523	0.7
233.08092	4.5
233.11697	17.5
233.15205	6.1
233.18991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03932	4.6
55.01854	7.5
55.05501	7.0
56.96560	3.0
57.03423	2.3
57.07055	3.8
65.03941	4.9
67.05503	15.6
69.03432	16.9
69.07057	7.2
71.04987	9.9
71.49500	3.5
75.84082	2.0
79.05493	26.1
81.03400	4.8
81.07053	22.2
83.04946	3.6
83.08598	2.8
84.72755	2.0
85.02885	4.8
85.06529	7.6
91.05474	43.2
93.07027	33.2
95.04965	17.6
95.08600	13.9
97.06532	15.5
98.97603	3.9
99.04426	14.0
103.05479	6.2
105.07026	64.7
107.04943	15.4
107.08577	17.1
109.02849	2.2
109.06501	10.9
109.10151	6.5
111.08082	2.5
112.99081	2.2
115.05434	10.3
116.06196	2.0
116.98611	3.3
117.07016	33.3
119.04929	42.7
119.08577	34.2
121.06520	19.3
121.10150	10.1
121.65602	2.0
123.08063	4.8
125.05975	3.9
128.06227	15.0
129.07001	15.2
130.07742	13.1
131.04915	8.9
131.08565	38.1
132.05777	2.1
133.06471	11.2
133.10129	21.8
134.99588	2.6
135.04405	3.2
135.08040	12.2
135.11626	3.7
137.05995	16.6
137.09624	4.6
141.06987	18.8
142.07787	4.4
143.08543	15.3
144.05696	9.5
144.09378	9.6
145.06482	29.6
145.10114	87.6
146.10379	2.2
147.04398	3.1
147.08012	6.3
147.11688	17.4
149.09589	5.1
149.13261	2.5
153.06944	3.9
154.07744	9.0
155.08531	6.4
156.09334	3.4
157.06409	3.2
157.10114	9.0
158.07254	15.2
159.08037	19.6
159.11687	48.5
160.03966	2.7
160.05222	6.0
161.05971	15.7
161.09575	7.4
161.13234	3.5
163.07513	5.3
163.11156	16.3
169.06456	4.1
169.10100	14.9
171.07979	3.8
171.11653	5.2
172.05118	6.0
172.08830	7.6
173.05968	6.9
173.09615	100.0
173.13208	14.1
174.06789	4.1
174.09961	2.7
175.07561	10.6
175.11169	5.9
175.14738	2.9
177.09099	4.6
177.12698	2.1
179.08571	2.4
182.07207	4.1
183.14505	2.2
187.07559	7.7
187.11176	68.9
187.14777	7.6
189.05443	2.5
189.09077	10.2
189.12749	5.5
189.16432	3.1
191.06944	3.3
191.10660	11.2
192.07790	3.8
197.09613	13.6
197.13255	3.7
201.09171	9.6
205.08600	5.9
205.12175	13.2
205.15941	3.5
215.07040	7.7
215.10663	50.6
215.14246	7.6
215.17924	4.0
233.04477	2.0
233.08124	15.7
233.11728	57.8
233.15331	28.0
233.18973	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03932	1.1
53.06585	0.6
55.01856	1.8
55.05498	3.2
56.96560	1.0
57.03422	1.3
57.07059	1.0
59.04980	0.8
61.10416	0.5
65.03936	1.4
67.05231	0.5
67.05503	6.2
68.99756	0.6
69.03430	4.0
69.07067	3.6
69.90913	0.5
71.04974	2.5
71.57485	0.7
75.75420	0.6
76.72179	0.7
79.05055	0.9
79.05486	9.3
81.03402	1.3
81.07057	8.4
83.04956	2.2
83.08577	0.6
85.02881	1.6
85.06528	1.2
86.09682	0.8
87.00796	0.8
91.05473	15.6
93.07043	9.2
95.04974	6.7
95.08598	3.2
97.02862	1.3
97.06535	4.8
98.97571	2.1
99.04472	3.2
103.05455	3.2
105.07024	24.8
106.07337	0.8
107.04948	7.0
107.08575	5.2
109.02845	0.6
109.06477	3.5
109.10153	1.8
115.05431	4.3
116.06232	1.2
116.98602	1.2
117.07013	13.6
119.04944	5.7
119.08570	9.2
120.08084	0.7
121.06504	6.9
121.10152	3.8
123.04447	0.8
123.08051	2.6
125.05997	1.1
127.07542	1.0
128.06270	2.7
129.06992	4.6
130.07780	8.7
131.04893	2.8
131.08545	12.0
133.06490	3.6
133.10114	5.0
135.04433	1.5
135.08064	4.2
135.11659	1.3
137.05966	4.0
137.09669	1.3
141.06973	3.8
142.07768	1.4
143.08562	5.8
144.05688	1.8
144.09317	2.2
145.06471	7.4
145.10110	44.3
146.10500	0.8
147.04405	0.8
147.08075	4.2
147.11679	6.4
149.01256	0.6
149.05913	1.3
149.09615	1.7
149.13220	0.7
153.07039	0.7
154.07732	2.9
155.06052	0.9
155.08557	1.8
156.09354	0.8
157.06479	0.9
157.10130	2.0
158.07295	4.3
158.99615	0.9
159.04407	1.7
159.08026	5.5
159.11690	11.4
160.05186	1.9
161.05991	4.7
161.09622	1.5
161.13289	0.9
163.07559	1.4
163.11172	10.7
169.06514	1.4
169.10127	5.6
171.08047	1.7
171.11700	1.6
172.05206	1.9
172.08810	3.0
173.09613	100.0
173.13077	4.4
174.06787	0.9
174.10001	1.9
175.07547	1.6
175.11179	1.3
176.04695	0.8
177.00702	1.2
177.05516	1.1
177.09058	1.4
179.08531	1.6
182.07222	0.9
187.07555	2.4
187.11174	18.1
187.14774	3.3
188.11514	0.7
189.09052	2.5
189.12697	3.3
191.06966	2.1
191.10641	2.9
191.14313	1.1
197.05887	0.7
197.09631	4.2
197.13205	0.7
200.04765	0.8
205.08467	1.3
205.12173	3.3
215.07318	2.7
215.10664	16.0
215.14102	3.3
215.17793	0.8
222.08322	1.6
233.08076	5.6
233.11710	16.8
233.15271	8.6
233.18872	2.9
234.15030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1169
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
54.51397	2.6
55.01858	6.0
55.05495	9.1
55.83680	2.8
65.03936	3.0
67.05499	18.2
69.03417	10.2
69.07059	8.0
70.88058	6.9
71.04980	10.5
79.05480	22.9
81.03401	3.7
81.07049	16.7
83.04987	4.7
91.05474	50.3
93.07043	21.7
95.04958	16.7
95.08595	10.3
97.06526	6.6
98.97556	3.6
99.04445	21.1
102.47891	2.5
105.07029	53.1
107.04935	12.6
107.08589	18.5
109.06496	8.2
115.05431	10.1
117.07005	26.8
119.04932	28.9
119.08578	28.5
121.06516	18.1
121.10115	7.8
123.08117	3.0
128.06226	7.8
129.06987	11.7
130.07797	20.3
131.08571	34.2
133.06450	5.4
133.10136	20.4
135.04417	2.5
135.08040	10.5
135.11647	7.1
137.05988	9.5
137.09595	3.9
141.06981	8.4
142.07710	3.2
143.08545	15.5
144.05627	3.5
144.09306	8.6
145.06499	14.9
145.10124	94.6
147.04369	2.6
147.08037	4.7
147.11720	13.9
149.05992	3.5
149.09608	6.0
154.07771	7.0
155.08525	5.9
157.10129	6.4
158.07329	12.6
159.08098	15.2
159.11691	49.9
160.05193	4.5
161.05980	8.1
161.09602	6.4
163.07626	6.5
163.11176	19.5
169.10107	19.3
171.08141	2.9
171.11665	6.3
172.08823	5.1
173.09621	100.0
173.13281	10.1
175.07535	7.0
175.11206	4.4
177.09042	3.5
179.08589	3.2
187.07478	3.3
187.11186	78.8
189.09053	6.5
189.12682	4.8
191.10678	12.5
197.09631	7.4
205.08656	3.9
205.12270	10.7
215.07138	3.4
215.10657	40.8
215.14305	7.5
215.17938	7.6
233.08038	7.0
233.11693	41.4
233.15210	17.4
233.19031	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0807
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03916	0.9
55.01868	3.9
55.05494	1.5
57.03415	0.5
65.03920	1.1
66.27853	0.5
67.05493	3.4
69.03416	1.9
69.07056	1.5
71.04970	0.6
71.15031	0.6
71.15405	1.0
77.03927	0.7
79.05046	0.7
79.05486	5.5
81.03404	1.0
81.07059	2.9
81.36956	0.5
82.85439	0.5
83.04966	0.9
85.02885	1.1
91.05473	18.2
93.07025	4.1
95.01299	0.9
95.04967	2.7
95.08591	1.9
97.06510	2.4
99.80447	0.5
103.05447	2.5
103.34480	0.5
105.03399	0.7
105.07025	5.5
107.04948	19.8
107.08569	2.1
109.06506	1.9
109.10157	0.9
110.04059	0.4
111.08041	0.8
115.05440	10.3
116.06223	4.8
117.07011	4.5
119.04921	1.6
119.08591	2.5
121.06501	5.4
121.10114	2.7
123.04429	6.3
123.08036	1.2
128.06197	2.5
129.06995	5.2
130.07788	0.9
131.04933	2.4
131.08554	20.0
133.02779	1.0
133.06447	1.2
133.10091	1.9
135.04408	10.9
135.08032	1.5
137.05943	1.7
137.09599	0.6
141.06984	15.9
143.08560	1.5
144.05698	26.0
145.06490	3.4
145.10139	4.8
146.05954	1.1
147.04373	1.5
147.08022	1.7
147.11707	0.7
149.02362	0.7
149.05972	4.6
149.09602	3.1
151.03889	9.5
155.08493	0.5
155.58774	0.5
156.09286	0.6
157.06441	0.9
157.10114	1.7
158.07265	1.7
159.04384	2.3
159.08044	14.1
159.11678	2.2
160.05231	0.6
160.08514	0.5
161.02382	0.6
161.05989	3.2
161.09584	1.5
163.03903	2.2
163.07494	1.1
163.11165	1.1
167.03378	1.9
169.06386	6.0
169.07637	2.3
169.10072	1.4
171.04333	1.0
171.11638	1.4
172.05136	3.6
172.08858	0.7
173.05952	2.1
173.09599	2.7
173.13243	1.3
175.07544	0.8
175.11154	1.9
176.04681	16.7
177.05457	1.2
177.09093	11.9
179.03357	2.6
185.09554	0.6
186.06825	0.7
187.03885	1.3
187.07510	19.9
187.11182	2.2
187.14699	0.6
189.05443	0.8
189.09187	0.7
189.12791	0.8
190.06238	0.9
191.03325	1.5
197.05960	1.7
197.09509	0.5
200.04674	14.4
205.04953	1.3
205.08566	12.0
205.12257	0.6
215.06989	19.6
215.10486	1.0
215.14319	1.1
215.17844	0.7
216.07471	0.6
216.13641	0.7
233.08067	100.0
233.11810	4.1
233.15349	5.0
234.08432	2.6
234.14951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.6
55.01867	2.4
55.05505	2.3
57.03425	4.1
61.02942	1.4
67.05487	1.2
68.99784	3.1
69.03426	100.0
69.07086	0.8
71.01363	0.7
71.04985	9.3
72.08153	1.0
79.05479	0.9
79.32498	0.6
81.03414	52.0
81.07067	1.5
83.01357	2.1
85.02900	40.2
87.00826	19.9
87.04479	1.0
91.05486	2.3
93.07027	1.2
95.04978	0.9
95.08609	1.5
97.02884	24.2
99.04447	22.3
105.01877	3.0
105.03421	4.2
105.07033	1.8
107.08602	1.1
109.02878	17.4
109.03595	1.3
111.00786	0.8
117.06993	0.8
119.08548	1.4
127.03909	21.4
129.01784	0.7
131.08575	1.8
133.10165	1.0
141.07074	0.7
143.08557	1.8
145.04999	2.8
145.10159	2.1
147.04398	0.7
147.08115	0.8
147.11751	1.0
153.01820	14.6
157.10115	1.7
171.11717	1.4
173.13280	1.1
175.07588	0.9
185.09689	0.8
185.13185	1.0
189.12817	0.7
213.03868	3.4
213.16380	1.1
231.02971	1.2
231.04875	2.0
231.06837	3.2
231.10175	1.7
231.13916	2.0
231.17509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0806
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
50.01613	0.5
50.36803	0.4
55.01881	1.6
55.05508	2.8
57.03427	0.8
57.07075	1.0
67.05500	3.4
69.07068	3.8
69.22743	0.5
69.64775	3.6
71.05000	1.7
72.32733	0.4
76.36073	0.5
79.05475	5.0
79.05825	0.4
81.03451	0.5
81.07049	4.8
83.08617	1.9
84.05514	0.5
85.06544	2.0
91.05474	15.2
93.07039	3.9
95.04981	1.4
95.08592	5.3
97.06566	1.3
97.10221	0.5
103.05479	1.5
105.03369	3.0
105.07016	12.0
107.04968	1.3
107.08579	5.7
109.06452	1.0
109.10120	2.5
111.08057	1.6
115.05437	19.6
117.07007	5.0
119.04916	0.8
119.08570	11.6
121.06490	1.1
121.10129	4.8
123.08053	0.7
123.11729	0.6
125.09636	0.6
128.06203	9.7
129.07004	1.4
130.07848	0.7
131.04936	1.2
131.08546	8.7
132.05699	1.9
133.06483	10.7
133.10114	10.1
135.08089	0.5
135.11707	1.6
137.05951	1.3
137.09605	0.5
140.13918	0.5
141.06976	11.8
143.04886	2.3
143.08551	12.1
144.05687	0.6
144.09296	1.4
145.06442	1.2
145.10109	9.1
147.04411	1.9
147.11665	4.2
149.05959	0.8
149.09583	0.8
149.13261	1.0
155.06050	0.8
157.10123	0.8
158.10898	1.1
159.04401	0.7
159.08049	1.3
159.11682	11.6
160.05183	67.9
161.05965	100.0
161.09627	1.9
161.13297	1.9
162.06313	1.9
163.11160	1.1
169.05139	0.9
169.06461	6.9
169.10204	0.6
171.08031	9.5
171.11696	1.4
172.12430	0.6
173.06062	1.4
173.09601	1.1
173.13237	8.7
174.06737	1.0
175.14816	2.2
177.05354	1.0
177.12746	1.4
177.16475	0.8
185.13190	0.7
187.03874	1.0
187.07538	4.1
187.11188	0.9
187.14769	3.1
189.09090	59.6
189.16383	3.8
190.09445	1.4
191.14359	0.6
197.05986	1.6
205.08658	0.9
215.07010	37.5
215.14378	0.8
215.17899	5.4
216.07333	0.9
217.04871	1.3
233.08049	7.6
233.11690	1.2
233.15427	4.7
233.18961	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
54.99805	0.5
55.01852	1.8
55.05508	2.8
56.96547	0.9
57.03418	0.8
65.03925	1.2
67.05498	3.4
68.99772	0.7
69.07070	3.9
69.64703	3.6
71.04977	1.6
75.10088	0.5
77.03964	0.5
79.05489	4.5
81.07047	3.4
83.08630	1.1
85.06533	1.5
90.04700	0.8
91.05476	15.0
93.07053	6.4
95.04982	1.6
95.08613	5.7
97.06535	2.1
97.10202	0.6
97.49467	0.5
98.21509	0.6
103.05461	1.6
105.03382	2.8
105.06390	1.0
105.07035	12.8
107.04951	1.2
107.08598	4.6
109.06518	0.5
109.10163	2.2
111.08063	0.9
115.05452	20.6
117.07013	4.8
119.04877	0.7
119.08574	11.2
121.06543	0.6
121.10146	3.5
123.08024	0.7
123.11720	0.8
128.06224	9.9
129.06981	1.7
130.07826	1.0
131.04913	1.5
131.08549	7.2
132.05711	2.7
133.06502	9.9
133.10123	8.1
135.08058	0.8
135.11699	1.5
137.05975	1.7
141.06981	14.0
143.04907	1.8
143.08553	10.8
144.05711	0.8
144.09326	0.8
145.06496	2.0
145.10124	7.8
147.04414	1.6
147.11708	3.6
149.09636	0.9
149.13278	1.0
151.03864	0.8
152.06149	0.7
157.10199	1.3
159.04434	0.9
159.08070	1.7
159.11691	8.1
160.05197	67.2
160.30913	0.6
161.05981	100.0
161.09634	1.8
161.13292	1.1
162.06339	1.9
169.06493	7.4
171.08040	9.3
171.11679	1.6
172.05171	0.7
173.05952	1.2
173.09634	1.5
173.13252	6.6
174.06801	0.8
175.14803	0.9
177.05493	1.3
177.12791	1.1
187.03914	1.3
187.07521	5.4
187.11186	0.9
187.14792	3.8
189.09106	58.8
189.16383	3.0
190.09515	1.0
191.14262	1.0
197.05980	1.8
205.15656	0.5
215.07014	39.8
215.14348	0.7
215.17923	4.7
216.07420	1.0
217.04985	1.2
233.08017	7.8
233.11705	1.1
233.15480	3.8
233.18973	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.96153	0.8
55.01869	12.0
55.05497	3.1
56.05030	4.1
56.96563	3.0
57.03416	2.0
58.06578	0.9
60.08148	0.7
61.02928	4.9
67.05496	2.9
68.05038	1.7
69.03135	0.7
69.03429	8.4
69.07063	1.5
69.61634	0.6
70.06587	12.8
70.88711	1.8
71.04985	3.8
72.08143	2.0
73.02899	4.7
79.05495	1.0
79.64577	0.7
80.05013	1.3
81.03407	4.4
81.07044	2.2
82.06567	3.3
83.04992	1.5
84.04506	4.8
84.08128	6.6
85.02911	4.3
85.06548	0.8
86.06061	2.0
86.09700	2.1
87.00845	1.8
91.03976	1.3
91.05499	1.2
91.62379	0.7
93.07059	1.2
94.06567	0.9
95.04980	1.3
95.08623	1.5
96.04460	1.1
96.08144	1.8
97.02882	6.3
98.06050	100.0
98.97528	0.9
99.04458	3.5
99.06355	0.7
100.07605	1.2
106.06553	0.8
108.08103	1.3
109.02893	2.2
109.10152	1.3
110.06033	5.5
112.07601	5.6
114.05527	2.5
116.98592	1.0
122.06040	1.0
124.03871	0.9
124.07603	1.4
124.11172	0.8
126.05526	0.8
127.03180	1.0
128.07018	0.9
129.10208	1.5
132.96846	0.6
134.06026	1.5
134.09683	0.7
134.99629	0.7
138.09177	1.2
140.07068	6.0
142.08629	0.8
143.04819	0.8
149.13351	0.7
152.07059	6.2
152.10696	8.2
154.08597	0.7
156.10245	0.8
157.07629	0.9
161.01292	0.9
161.06044	0.9
166.08606	1.2
170.08122	1.7
170.11742	4.5
175.07513	0.8
182.08134	3.5
184.09674	3.6
194.08209	4.0
194.09727	0.7
194.15402	6.5
203.06943	0.8
212.09200	2.6
212.12614	0.8
212.16460	8.6
216.04024	0.6
230.10147	9.0
230.13901	3.0
230.17526	14.1
231.03023	1.0
231.10428	0.9
251.91582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.175
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
55.01868	0.7
55.05512	4.1
56.05032	0.8
57.03445	1.2
58.06589	2.6
62.72573	0.5
67.05503	5.9
67.08793	0.5
69.03422	4.6
69.07052	2.1
70.06591	16.6
70.63863	1.1
70.64268	1.1
71.04986	3.3
72.08155	13.1
79.05475	2.1
81.03401	2.1
81.07057	5.9
82.06581	5.8
83.04956	0.6
84.04489	1.1
84.08133	1.5
85.02885	1.4
86.09691	1.4
91.05470	2.9
93.07043	5.0
94.06555	0.6
95.04957	0.7
95.08601	10.9
96.08130	6.2
97.02872	0.9
97.06504	0.7
98.09692	1.6
98.77194	0.7
98.97581	0.6
99.04430	1.0
105.07014	0.9
107.04904	0.5
107.08565	1.5
108.08098	0.6
109.02905	0.8
109.10126	3.1
110.09685	1.0
111.08083	0.7
112.07554	1.3
113.05973	0.6
116.07106	0.8
116.60538	0.6
117.06929	0.7
119.08570	1.9
121.10156	0.7
125.88058	0.5
127.03914	0.7
129.65959	0.5
130.06540	0.7
135.11719	1.2
137.09627	0.7
149.13295	0.8
159.11674	0.8
166.15923	2.1
176.14287	1.1
194.15402	36.7
195.15758	0.6
212.16452	62.7
213.16731	1.0
230.17505	100.0
231.17723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32806	0.5
55.05514	4.3
57.07077	3.2
60.08165	3.9
61.08493	0.8
67.05505	10.1
69.07063	2.1
71.08644	1.0
71.58000	1.0
79.05486	3.4
81.07048	4.5
83.08606	1.0
91.05479	21.9
93.07035	3.9
95.08605	5.1
103.05483	0.7
104.25786	0.6
105.07025	15.3
105.07689	1.1
107.08591	2.2
109.10177	5.9
115.05478	4.2
116.06224	2.1
117.07022	71.6
119.08574	5.6
121.10145	2.5
128.06223	1.1
129.06979	5.0
130.07762	1.5
131.08571	100.0
132.08876	0.6
133.10132	7.7
135.11694	1.9
137.06047	0.6
141.06956	1.8
142.07806	0.9
143.08583	3.8
145.10126	36.4
147.11674	6.6
155.08571	2.1
157.10117	2.9
159.08066	0.9
159.11696	9.8
161.13284	1.1
169.10130	2.3
171.11732	0.6
173.13278	7.2
181.10197	0.9
183.11765	1.2
185.13268	2.9
187.11162	0.7
187.14838	2.7
196.12479	0.8
196.68369	0.6
201.16367	1.7
211.14803	3.3
229.07645	0.8
229.12216	2.0
229.16034	6.4
229.19511	20.7
229.23405	1.1
229.27193	18.5
247.08499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
54.27419	0.3
55.01872	0.8
56.96546	1.1
58.06308	0.6
58.06593	9.1
59.07364	1.7
60.08160	8.5
67.47465	0.4
68.05018	1.8
70.06589	51.7
71.30845	0.8
72.08150	0.9
74.51545	0.4
75.91902	0.4
86.06064	0.5
86.09712	0.5
87.25593	0.4
87.66788	0.4
89.05013	0.4
96.08116	2.8
98.06055	1.0
98.97569	1.1
109.51918	0.4
111.76821	0.4
114.05530	5.7
114.09180	2.6
116.07065	1.4
116.98627	1.1
119.01900	1.7
124.07585	4.5
126.09164	0.7
142.08624	43.2
143.09038	0.8
146.99660	0.4
151.13153	0.8
154.47380	0.4
169.14186	1.5
170.08128	2.2
174.23024	0.5
183.14937	0.9
211.15230	1.2
229.15453	100.0
230.15738	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03935	1.5
55.05265	0.9
55.05513	11.2
57.07066	1.6
65.03912	0.7
67.05500	23.1
69.07067	5.5
71.58302	1.4
79.05067	1.0
79.05489	14.6
81.07052	12.0
83.08618	4.1
90.96967	0.6
91.05477	28.1
93.07035	15.7
95.08600	16.0
97.10181	1.3
105.07024	34.8
107.08585	7.8
109.10144	10.3
115.05434	1.2
116.06160	0.9
117.07014	17.4
119.08577	24.2
119.81799	0.6
121.10143	8.6
123.11726	1.3
129.06976	4.6
130.07745	2.5
131.08554	26.2
132.09494	0.7
133.09117	1.3
133.10123	24.0
134.44420	0.7
135.11661	4.5
138.28140	0.6
141.06998	1.6
143.08563	4.1
144.09325	1.2
145.10115	27.5
145.65700	0.6
146.10968	0.6
147.11681	25.3
149.13242	1.4
149.60271	0.6
152.35165	0.7
155.08612	1.2
157.10100	2.6
158.10889	0.9
159.08066	1.0
159.11690	21.4
161.13231	7.2
169.10101	2.3
171.11679	2.6
172.12466	1.1
173.11777	1.4
173.13245	17.0
183.11713	0.8
185.13248	3.7
186.14038	1.6
187.11230	1.1
187.14807	10.8
201.16354	2.9
211.14799	2.0
214.09860	1.1
223.35681	0.7
229.12241	2.2
229.16234	6.0
229.19498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15020	0.4
55.01860	1.3
55.18151	0.5
56.05034	0.7
56.96547	1.7
57.03416	1.7
58.06341	0.7
58.06595	8.4
59.07369	1.2
60.07875	0.8
60.08158	8.9
60.24562	0.5
61.02882	0.7
68.05019	1.4
69.03424	0.7
69.89770	3.2
70.06587	46.9
71.04992	0.7
72.08138	2.2
73.02908	1.1
73.71323	0.5
84.04495	1.3
85.02888	1.5
86.06030	0.5
86.09680	0.8
95.06062	0.9
96.08125	2.8
97.02895	2.1
98.06073	0.7
98.20891	0.7
98.97542	1.5
101.00858	1.6
114.05518	4.6
114.06634	0.6
114.09148	1.5
114.09901	0.6
116.07095	1.1
116.98636	0.7
118.08666	0.9
119.01912	8.9
121.01645	0.6
124.07595	3.9
124.85294	0.5
126.09127	0.9
127.05087	0.5
133.03458	2.3
137.02969	3.1
139.04181	0.8
142.08621	36.1
143.09045	0.6
144.99847	1.0
145.03415	0.6
146.99638	0.6
148.03717	0.9
148.04811	2.5
151.04509	1.5
157.04390	0.6
158.08044	0.9
159.55501	0.9
161.33302	0.6
169.14148	1.1
170.08136	1.6
177.02338	1.0
183.11282	0.9
184.04895	0.6
187.00870	2.5
187.04546	0.6
211.15224	1.5
215.00374	1.2
225.93555	0.6
229.15450	100.0
230.11520	0.7
230.15775	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89785	0.7
55.05510	12.4
56.96563	1.6
57.03438	17.2
57.07076	1.3
59.04999	5.4
63.47841	0.7
65.03934	2.3
66.20940	0.7
67.05505	100.0
68.05843	2.4
69.03405	0.8
69.07063	3.9
69.51293	0.7
70.49030	1.4
70.49426	1.4
71.04990	3.6
79.05501	3.8
81.07054	18.7
83.08625	8.1
84.08983	0.9
84.37305	0.7
85.06542	3.5
91.05481	10.2
93.07050	6.1
95.04971	2.2
95.08606	8.7
96.08947	2.4
97.06555	1.0
103.57800	0.8
105.07014	4.6
107.08621	3.3
109.10155	77.6
110.10529	2.8
111.08099	3.2
115.05447	1.2
117.07025	3.1
119.08559	9.3
121.10159	2.0
129.07022	1.5
131.08582	4.0
133.10152	2.9
137.06183	0.7
137.09618	3.2
141.07024	0.8
143.08545	1.0
145.06491	1.4
145.10126	3.9
147.11743	2.2
149.25294	0.7
155.08592	1.3
155.10707	3.3
159.11694	3.8
169.10191	1.8
171.11774	1.2
173.11771	16.5
173.13286	3.3
183.08070	1.4
183.11676	0.8
185.13174	1.4
187.11285	0.9
187.14838	1.1
211.07590	0.9
211.11311	0.7
211.14812	0.9
212.06569	1.0
229.05061	1.5
229.08621	2.5
229.12262	2.4
229.14221	15.0
229.19466	8.9
229.23511	1.1
247.08507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0858
Annotation	Forkienin
Peak:m/z	Relative Intensity
53.03941	3.5
55.01875	3.2
55.05509	3.6
56.05037	2.5
56.96556	4.8
57.07065	1.5
57.08004	1.7
58.06617	2.0
62.16922	1.7
65.03943	3.1
67.05502	5.0
68.99784	4.6
69.03431	5.0
69.07061	4.0
70.06599	16.3
71.04993	2.0
71.57022	3.4
72.08152	6.6
79.05478	9.4
81.03415	4.3
81.07050	5.9
83.04984	2.8
84.08121	3.4
85.02899	3.1
85.04041	4.0
86.09694	4.9
91.05481	55.4
92.05782	1.9
93.07047	3.9
95.01330	3.1
95.04956	9.8
95.08607	3.5
96.08150	2.2
97.02885	3.2
98.06054	2.0
98.97569	2.7
99.04439	3.1
105.07019	4.1
107.04950	100.0
108.05262	2.0
109.02876	7.1
109.06519	3.1
111.04449	9.1
111.05592	1.8
113.10814	1.8
115.05514	2.5
116.07068	6.9
116.98627	3.4
117.06982	2.0
119.04937	35.4
119.08541	1.7
120.05717	12.9
120.57401	1.7
121.02872	7.0
123.04455	6.8
128.06242	2.8
129.06963	3.0
131.08592	2.6
134.99683	4.4
135.04407	55.7
136.05185	4.6
137.02345	2.8
137.05998	2.3
137.09616	2.4
139.03886	3.6
141.06993	8.5
141.10217	9.0
145.06470	8.5
145.10161	3.2
147.04387	2.2
147.08040	2.1
153.05766	1.9
153.07005	7.4
155.08556	5.9
157.06519	5.6
158.07207	2.2
159.08080	2.5
161.40347	1.8
163.03844	1.9
165.07002	22.2
167.07143	3.6
168.05605	1.8
169.06404	1.9
169.09842	2.2
173.05908	2.5
173.09624	2.6
178.02631	2.3
183.08009	14.3
187.07600	2.7
193.06456	3.8
201.09024	2.9
208.51738	2.2
211.07539	11.9
211.10817	3.6
229.05096	3.2
229.08565	52.5
229.12260	4.2
229.16115	4.4
229.23615	3.1
230.09048	1.7
230.17493	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01854	5.1
55.05503	13.4
57.03430	16.8
59.04998	6.4
67.05505	100.0
69.37317	26.1
69.37747	25.5
70.06581	11.0
75.50161	4.9
79.05479	11.4
81.07059	32.9
83.08616	8.0
83.99300	5.4
84.46111	6.1
88.07629	10.1
89.08011	4.9
91.05473	24.0
93.07058	15.1
95.08596	12.4
102.09195	6.6
103.05365	5.1
105.07033	19.8
107.08582	8.8
109.10152	67.5
111.08112	8.8
117.06996	13.3
119.08588	22.3
128.06255	6.4
129.06999	13.5
131.08577	19.3
133.10158	10.3
145.10139	11.6
147.11696	25.3
153.61575	5.3
154.06622	6.2
155.08617	10.2
157.10150	12.3
159.08073	10.4
159.11696	12.2
165.12849	7.0
169.10092	8.8
173.09633	8.7
173.11740	15.1
173.13208	11.8
196.08928	5.5
197.09622	12.1
201.09212	7.4
211.11066	7.9
211.14853	7.9
229.08615	13.2
229.12248	39.6
229.14301	17.4
229.16115	11.7
229.19559	20.4
229.23572	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0857
Annotation	5,6-Dehydrokawain
Peak:m/z	Relative Intensity
55.01870	8.7
55.05505	10.4
56.96571	1.5
57.03430	11.9
57.07070	1.2
59.04990	3.8
61.33756	1.0
65.03929	4.3
67.05502	64.9
69.03423	1.3
69.07044	4.6
70.06589	1.6
71.04984	2.7
79.05487	5.6
81.07047	14.9
83.04994	1.2
83.08612	5.8
85.06542	2.6
90.61925	0.9
91.05476	55.8
93.07025	6.0
95.04984	2.0
95.08597	9.7
98.21521	2.1
105.03394	7.0
105.07033	9.4
107.08595	4.5
109.10148	51.9
111.08073	2.0
115.05471	3.7
117.07008	7.3
119.04966	0.9
119.08562	10.3
119.93615	0.9
121.06509	1.2
121.10145	2.7
128.06210	1.4
129.07002	4.6
130.07761	1.6
131.08546	11.3
133.10120	6.5
135.11697	2.3
137.09622	2.8
141.06982	4.2
143.08569	3.0
145.06526	2.3
145.10106	11.1
147.11667	7.5
151.03896	16.6
151.04982	1.6
152.06349	0.9
153.07034	5.7
153.08142	1.3
154.07797	2.9
155.08546	4.6
155.10698	1.5
156.09366	1.2
157.10109	3.0
159.08060	2.4
159.11671	9.5
161.13214	1.6
165.07008	10.3
168.05736	1.7
169.10164	2.1
171.11707	2.6
173.06049	2.4
173.09601	1.8
173.10315	1.2
173.11743	10.9
173.13281	7.4
181.06555	1.5
183.08064	1.1
183.11729	1.7
185.13319	1.6
187.07565	1.3
187.11172	2.1
187.14850	2.9
187.56618	0.9
200.15576	1.0
200.43330	1.0
201.12686	1.0
201.16342	1.5
211.07536	100.0
211.14719	1.7
211.45753	1.1
212.07968	2.6
229.04956	3.5
229.08662	8.8
229.12218	6.8
229.14369	7.8
229.15982	5.2
229.19490	21.8
229.23473	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1594
Annotation	(+)-Epilupinine N-oxide acetate ester
Peak:m/z	Relative Intensity
53.03928	0.7
55.01865	0.6
55.05500	2.7
56.05043	1.6
56.96564	4.8
58.06593	1.2
61.02918	0.9
67.05500	1.7
68.05025	1.1
69.03421	1.5
69.07063	3.8
70.06588	5.1
71.04990	1.3
71.18302	1.0
72.08152	1.8
73.02921	1.0
74.06082	0.6
77.66084	0.5
79.05506	4.2
81.03408	1.0
81.07060	1.5
82.06570	1.8
83.04970	0.6
84.08137	3.5
85.02892	1.4
86.09702	1.4
91.05497	3.5
93.07047	4.4
94.06565	2.4
95.04974	1.1
95.07340	0.5
96.08115	5.5
97.02892	1.9
97.06531	1.4
98.06096	0.9
98.09706	1.3
98.97572	1.9
105.06997	1.3
107.08578	1.2
108.08115	1.9
109.10095	0.5
110.09702	1.9
112.07594	0.6
116.07034	0.6
116.98621	1.9
119.01889	0.8
119.59224	0.5
121.06485	1.1
122.06052	1.0
122.06844	0.8
122.09637	2.0
123.04441	0.6
124.07575	1.9
124.11236	0.7
128.98596	0.9
134.99648	1.3
136.11229	2.4
138.09117	1.1
140.07050	13.1
142.08621	2.5
146.99649	0.9
147.03178	1.0
148.11203	1.0
149.01222	1.6
150.12773	33.2
151.13544	1.0
155.04727	1.2
155.11896	0.6
155.54794	0.7
156.03474	2.0
161.02841	0.6
164.14362	3.9
164.55492	0.6
166.75713	0.5
167.06987	0.9
168.07443	3.3
168.13832	86.5
169.14204	1.6
174.04405	2.6
177.00687	0.8
178.05859	1.3
182.02690	1.1
182.08145	0.7
182.11716	1.2
186.04347	1.9
188.51291	0.6
189.00601	0.6
192.13777	3.0
204.05432	3.0
210.14880	71.5
211.15199	2.3
213.00444	0.6
228.08611	3.0
228.15927	100.0
228.23271	3.1
229.04950	1.1
229.12064	0.6
229.15465	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.7
53.03939	1.4
55.01868	1.4
55.05266	1.0
55.05512	11.5
56.02650	1.4
56.05813	0.9
56.96558	1.0
57.03431	0.7
57.07073	1.9
65.03926	1.4
67.05501	23.6
69.07063	9.4
70.07400	1.6
70.87138	1.4
71.04990	100.0
72.05322	0.8
79.05487	13.7
81.07056	33.0
83.04991	1.9
83.08611	5.6
84.08940	0.8
85.06553	3.3
86.09713	1.4
91.05478	8.3
93.07043	17.2
95.04974	2.7
95.08607	16.3
97.06532	3.3
97.10176	2.9
98.10430	0.8
100.11255	1.8
105.07008	5.3
107.08597	6.8
109.06509	1.3
109.10157	2.3
111.08107	2.4
113.06034	0.7
113.17097	0.7
117.07018	6.9
119.08585	2.8
121.06532	1.3
121.10167	2.0
125.09653	2.2
128.06238	1.7
129.06996	6.1
130.07861	0.9
131.08557	6.4
133.10136	6.2
135.08061	1.2
135.11687	9.9
142.07794	2.1
143.08557	6.1
145.10117	5.8
147.11697	0.8
149.13268	4.7
150.13724	0.8
153.07039	1.1
156.09343	1.2
157.10110	7.0
159.11685	8.4
167.07021	1.2
171.11658	6.3
173.13301	1.2
177.12767	2.6
180.67151	0.8
180.94406	0.7
185.13275	4.8
192.09152	1.0
195.13666	0.9
199.14879	2.1
209.15411	1.2
227.07033	1.9
227.10757	0.9
227.12737	1.6
227.14592	1.5
227.17976	12.7
227.25650	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03950	2.2
55.01863	4.1
55.05512	23.4
57.03440	1.2
57.07059	1.4
59.05007	1.9
67.05501	7.9
69.07067	3.4
69.88021	7.3
71.04967	1.7
79.05492	7.6
81.07066	12.8
83.04987	100.0
83.08633	5.1
85.06534	1.5
91.05457	3.2
93.07050	12.0
95.08608	11.3
97.10172	3.8
98.21547	1.3
104.86401	1.0
105.07041	1.7
107.08601	10.7
109.10165	4.5
111.08073	5.2
112.64835	1.0
117.07024	2.8
119.08559	1.9
120.73727	1.1
121.10139	9.0
123.11690	1.2
125.09608	2.0
131.08571	2.3
133.10150	1.6
135.08060	2.0
135.11722	2.4
143.08559	1.2
145.10139	1.5
147.11658	1.6
149.09625	2.0
149.13246	4.7
157.10056	1.7
159.11711	1.3
163.14819	11.3
171.11749	1.9
173.13263	3.7
181.15907	2.7
185.13210	1.7
191.14354	5.2
193.09819	1.0
209.15372	7.2
227.17953	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05503	25.1
57.03426	5.9
59.04993	16.9
67.05497	17.0
69.03421	17.6
69.07064	33.0
69.46471	42.9
71.04992	40.0
79.05480	18.0
81.07053	38.9
83.04980	18.2
83.08620	19.4
85.06544	14.1
86.09694	9.3
87.04477	7.4
91.05478	17.6
91.56097	4.4
93.07039	49.8
95.04965	100.0
95.08592	33.7
97.06523	22.9
97.10152	9.7
99.04449	11.5
99.08089	37.6
100.11251	22.4
101.05962	5.3
104.73371	4.8
105.07005	14.7
107.08593	45.4
109.06518	20.3
109.10144	22.4
110.06747	5.3
111.08093	10.9
113.06036	14.6
115.07572	9.3
119.08568	12.9
121.10136	60.1
123.08073	11.2
123.11694	29.6
125.09611	52.3
127.07545	22.0
127.11179	10.1
131.08562	10.6
133.10127	40.6
135.08076	11.0
135.11722	9.7
139.11180	18.2
140.04669	6.5
141.11479	5.3
147.11691	10.3
148.10748	5.7
149.09602	28.5
149.13214	23.4
150.04909	5.0
151.11172	26.6
153.09074	34.4
163.14816	12.5
167.07098	11.6
167.10661	43.2
171.10178	13.4
171.41005	4.5
173.13263	15.0
181.04950	9.9
191.10760	7.1
191.14290	13.5
209.15271	29.3
227.16333	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03950	6.2
55.05505	49.5
56.96561	26.2
57.03432	12.7
57.07069	20.1
59.04993	11.0
67.05508	36.4
69.03417	28.9
69.07059	49.1
70.52064	22.1
71.04994	80.0
73.02911	9.9
79.05481	36.3
81.07054	55.2
81.44724	6.6
83.04963	31.5
83.08611	26.6
85.02916	9.6
85.06535	27.5
86.09701	12.4
91.05463	23.0
93.07037	75.2
95.04965	98.0
95.08611	56.7
97.06523	28.7
97.10170	9.3
98.97585	25.6
99.04448	81.7
99.08084	36.2
100.11254	22.8
105.07021	38.6
107.08593	100.0
109.06520	24.6
109.10162	37.2
111.08059	12.6
113.05952	10.7
116.98638	19.2
119.08578	20.4
121.06538	17.4
121.10118	75.4
123.04377	14.1
123.08064	28.2
123.11698	25.6
125.09607	40.3
127.07583	15.2
128.06216	6.6
131.08572	17.9
132.08139	7.7
133.10139	64.4
134.99629	13.0
135.08043	15.4
135.11696	27.3
137.09604	13.3
139.11159	17.6
143.08556	11.2
145.10158	7.4
147.11711	15.3
149.09612	40.4
149.13234	25.3
151.11182	37.3
153.09099	25.3
158.99664	11.2
163.11176	8.3
163.14801	21.4
165.12747	9.9
167.07051	55.9
167.10655	8.4
169.12245	6.5
171.10175	13.3
171.11594	10.6
173.13261	23.0
177.05440	9.7
181.04953	15.1
183.13799	7.8
191.14307	43.1
199.11188	8.1
209.15352	48.8
227.06984	14.3
227.10612	12.7
227.14516	10.3
227.16304	49.3
249.74202	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01873	6.9
55.05507	24.4
57.03411	5.3
57.07064	6.9
59.04988	10.4
59.34087	3.9
63.18545	3.4
67.05484	17.2
69.03423	29.4
69.07055	16.8
71.04991	27.3
71.28134	4.0
71.28462	6.3
73.02919	4.7
73.16284	3.3
76.10168	3.3
79.05469	15.5
81.07049	21.6
83.04969	21.9
83.08600	15.6
85.06522	13.5
86.09705	5.4
87.18838	3.8
90.69895	3.6
91.05478	11.8
93.07040	35.2
95.04966	100.0
95.08599	27.0
97.02902	3.8
97.04035	4.3
97.06533	18.1
97.10152	10.0
99.04430	12.2
99.08092	35.0
100.11245	13.8
105.07020	14.3
107.08582	35.0
109.06509	13.2
109.10142	14.5
111.08073	9.7
113.05980	5.6
115.07565	6.4
119.08543	5.5
121.06483	6.0
121.10151	31.9
123.11702	11.0
125.05972	5.0
125.09623	72.8
127.07532	15.5
131.08600	6.7
133.10115	37.8
135.07999	12.1
135.11690	11.6
137.09605	4.1
139.07462	3.9
139.11159	10.3
140.04677	11.6
145.10028	4.4
149.09581	22.5
149.13243	13.6
151.11159	12.3
153.09102	34.3
155.07034	11.4
163.14833	8.6
167.07054	8.8
167.10658	7.8
168.41786	4.0
171.10152	11.8
173.13211	16.9
181.04912	19.0
181.12074	3.8
182.15369	4.1
191.14349	16.6
209.08052	7.4
209.15297	31.7
227.08585	22.0
227.14334	5.4
227.16278	34.2
229.09784	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03944	4.9
53.49289	3.2
55.01894	3.7
55.04774	3.5
55.05510	25.9
56.05016	3.9
57.03433	9.2
57.07060	4.6
64.04335	3.0
67.05502	72.5
69.07066	31.3
70.87502	6.2
71.04978	12.8
79.05492	35.3
81.03461	2.8
81.07056	100.0
83.04982	12.1
83.08624	18.6
85.00009	3.2
85.06565	6.2
85.26273	3.0
87.25104	2.9
91.05481	25.6
93.07040	64.6
95.04955	5.6
95.08614	23.8
97.06538	16.8
97.10171	4.7
99.08079	6.8
100.11269	4.4
101.13273	2.9
105.07052	5.9
107.08597	35.0
109.06523	4.2
109.10139	4.1
111.08073	10.7
113.09810	3.4
114.82125	3.0
117.07025	14.0
119.08585	5.7
121.10141	18.9
125.09612	8.0
129.07076	5.7
131.08560	13.7
133.10150	13.7
135.11684	19.0
143.08600	5.7
145.10120	4.1
149.13252	46.4
151.09744	3.0
157.10085	5.0
159.11678	32.5
171.11725	7.6
177.12724	9.8
185.09644	3.4
185.13242	7.0
188.31418	3.9
195.13838	11.3
199.14772	3.4
227.12608	4.1
227.18050	14.4
227.21986	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	4.7
55.01865	5.7
55.05507	13.1
57.03429	3.5
57.07073	4.0
59.04998	5.3
65.03928	5.1
67.05510	12.9
69.03419	6.8
69.07061	13.8
71.00750	4.0
71.04990	17.9
73.02912	18.2
76.79391	1.7
79.05504	12.5
81.03413	5.3
81.07056	18.6
82.04206	1.8
83.04965	9.4
83.08625	8.4
85.02903	3.8
85.06535	6.3
86.09692	11.7
91.05471	11.3
93.07034	26.3
95.04961	100.0
95.08601	17.3
97.02877	3.3
97.06519	17.7
97.10153	4.2
99.04476	9.0
99.08086	16.9
100.11269	15.0
105.07042	10.5
107.08595	22.2
109.06506	14.0
109.10152	8.8
110.03587	2.2
111.04446	4.4
111.08074	4.6
113.06036	2.0
115.07571	7.9
119.04964	1.9
119.08571	6.1
120.05563	1.9
121.06548	3.9
121.10136	16.2
123.04416	5.6
123.08086	10.1
123.11716	8.0
125.02362	3.7
125.09618	11.2
127.07534	7.7
131.08563	4.9
133.10118	28.1
135.08061	7.0
135.11702	4.7
137.09616	2.4
137.13269	2.8
139.11179	8.0
140.04694	18.5
142.02542	2.0
143.08595	1.9
145.10135	2.3
147.11716	4.9
149.09648	2.8
149.13264	8.2
151.11182	4.4
153.05486	2.3
153.09116	25.6
153.12793	2.1
155.07027	19.5
155.08366	2.8
161.13136	2.9
163.14757	4.0
167.07054	11.8
167.10672	4.8
169.27385	1.9
171.06528	3.9
171.10155	9.5
171.67859	1.8
173.08226	1.9
173.09654	4.3
173.13271	9.6
179.14325	3.8
181.04950	41.0
191.10666	5.7
191.14333	7.8
197.15376	3.8
209.08084	5.9
209.11713	3.0
209.15205	10.3
227.07095	2.5
227.09140	3.8
227.16324	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01867	0.4
55.05508	15.6
55.09478	0.2
56.96549	0.7
57.03411	0.3
57.07068	0.6
59.05005	0.4
65.03931	0.3
65.87910	0.2
67.05505	1.3
68.05022	0.2
69.03401	0.5
69.07069	1.5
69.68171	0.2
70.06581	0.6
71.04981	1.3
71.08614	0.1
71.57620	0.2
72.08094	0.2
73.02901	0.9
75.77727	0.1
79.05477	1.2
81.03427	0.3
81.07050	1.6
82.06577	0.6
83.04967	0.8
83.08617	9.4
84.08129	0.4
84.08947	0.2
85.02915	0.4
85.06546	0.6
86.09704	2.7
89.03899	0.3
91.05457	1.0
93.07032	1.6
95.04966	4.5
95.08598	1.7
96.05285	0.3
97.02897	0.2
97.06502	1.1
97.10173	0.5
98.09691	0.6
99.04461	0.6
99.08096	1.2
100.11253	100.0
101.06018	0.3
101.11559	1.1
103.05497	0.3
105.07021	0.8
107.04926	0.3
107.08583	2.0
108.08127	0.2
109.02898	0.2
109.06514	0.9
109.10150	1.5
110.06042	0.4
110.09680	0.2
111.04440	0.6
111.08098	0.9
115.07617	0.4
117.03371	0.2
117.07026	0.3
117.13885	1.0
119.08580	0.6
121.06528	0.7
121.10139	1.8
122.06009	0.2
123.04433	0.6
123.08064	0.7
123.11728	0.4
125.06043	0.2
125.09657	1.0
127.07574	0.5
127.08701	0.4
128.07098	0.2
129.06915	0.2
131.04921	0.2
131.08586	0.5
133.10135	1.6
135.04440	0.5
135.08080	0.4
135.11685	0.3
137.05959	0.3
137.09641	0.6
138.09174	0.4
139.07613	0.4
139.08682	1.1
139.11174	0.5
140.04662	0.9
140.07027	0.2
143.08554	0.2
143.10674	0.3
145.02850	0.4
147.11670	0.4
149.05939	0.4
149.09604	0.2
149.13300	0.4
151.11266	0.2
153.09096	1.0
153.69820	0.2
155.07059	0.9
161.01231	0.3
163.03911	2.1
163.14850	0.4
164.04144	0.2
167.07028	2.1
167.08253	0.2
171.10182	0.4
173.13191	0.3
177.05486	0.6
179.14363	0.5
181.04919	1.8
181.06322	0.2
181.08504	0.2
182.11723	0.3
185.06233	0.2
189.00656	0.2
191.10742	0.2
191.14296	0.8
195.06493	0.2
199.18057	0.2
209.08098	0.6
209.16521	15.2
210.11278	0.3
210.16849	0.4
227.07059	0.4
227.08971	0.2
227.17612	15.2
228.12282	0.3
228.17993	0.5
228.23454	0.2
249.02881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.34563	10.0
51.06397	8.9
55.01878	14.5
55.05511	47.6
67.05501	29.8
69.03436	12.8
69.07060	35.9
69.87331	66.8
71.04987	17.5
79.05058	8.7
79.05487	43.1
79.51024	9.6
81.07051	43.9
83.08603	29.6
88.61496	10.1
91.05524	23.4
93.07044	60.4
95.04967	25.1
95.08607	54.5
97.06499	12.8
97.10143	17.4
98.20850	19.4
100.11240	28.6
104.79064	11.3
105.07033	22.4
107.04938	11.6
107.08592	39.8
107.74249	9.2
113.57056	9.8
117.06999	14.6
119.08557	19.4
120.11612	9.2
121.06536	13.9
121.10136	32.4
128.06215	17.1
129.30086	8.7
129.56749	10.3
131.08565	14.7
135.11693	44.0
141.06937	10.3
142.07712	10.6
143.08542	19.2
145.10124	34.3
149.06003	13.4
153.07127	9.5
157.10135	37.5
163.11198	62.4
163.69441	9.3
167.07004	55.6
171.08006	12.2
171.11671	31.4
181.05003	13.4
181.12222	12.5
183.11652	14.8
185.09633	12.5
185.13298	13.6
195.89691	9.5
196.73158	9.9
199.14850	13.4
206.87544	10.0
209.08031	11.0
227.06937	14.3
227.10597	25.9
227.12794	100.0
227.14769	13.3
227.17926	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
50.07617	0.8
52.96664	0.8
53.03938	1.0
54.19892	0.9
55.01853	1.5
55.05510	4.4
56.96550	2.7
57.07058	1.1
58.67705	0.8
65.03951	0.8
67.05497	1.5
69.03428	1.1
69.07072	4.4
69.71009	4.7
70.06596	4.0
71.04991	1.1
71.95329	0.8
73.02903	1.0
74.78870	0.9
78.04704	3.8
79.05499	3.7
81.03434	0.9
81.07048	2.5
82.06579	0.9
83.08598	2.4
84.04506	5.0
85.02892	1.1
89.03905	1.5
91.05480	7.3
93.07039	6.0
95.04966	7.1
97.02930	0.9
97.06548	1.6
97.10175	1.2
98.97577	0.9
100.11234	0.9
103.05484	7.7
105.03449	1.2
106.04166	2.5
107.04976	4.3
107.08589	2.2
109.02892	1.3
109.06484	1.2
111.04462	1.0
115.07568	0.9
116.07079	2.7
117.03407	1.6
119.04931	1.2
121.06519	11.7
122.03635	1.5
123.04425	10.8
124.05194	3.2
125.02323	1.1
131.04936	5.6
133.02835	1.6
133.10094	1.7
134.03612	2.7
135.04419	3.4
137.05960	10.7
140.04689	3.2
145.02841	2.0
148.05147	1.5
149.05978	14.4
151.03896	1.9
152.04652	2.6
152.07047	1.2
153.09122	0.8
154.33301	0.9
155.07005	2.0
159.04454	3.1
161.01253	1.0
163.03911	5.9
165.05469	1.1
167.07042	100.0
168.07401	1.1
176.04837	1.0
177.05470	24.6
181.08490	1.2
191.07005	2.7
194.05756	1.6
209.08107	5.4
225.98029	0.9
227.10306	1.1
228.16016	2.6
249.03004	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82994	7.1
53.03934	8.7
54.14583	7.0
55.01862	15.7
55.05511	79.9
56.96568	7.0
57.03416	9.1
57.07069	7.3
58.16546	6.7
62.47670	6.1
67.05505	58.8
67.67770	5.8
69.03440	9.0
69.07078	42.9
71.04993	23.5
71.58395	9.9
79.05494	69.8
79.97065	7.0
81.07065	64.5
83.04954	8.5
83.08632	43.4
91.05473	26.7
93.07040	82.7
95.04971	20.3
95.08604	95.7
97.02881	9.2
97.06517	9.1
97.10143	35.0
99.04469	13.9
100.11253	26.1
105.07007	18.9
107.04963	21.5
107.08614	66.1
109.10157	13.2
117.07005	23.1
119.08572	25.2
121.06490	15.3
121.10168	19.4
125.09611	30.3
128.06227	11.2
129.06972	11.4
131.08559	7.1
133.10121	13.5
135.08025	11.7
135.11713	77.5
139.07596	7.4
142.07780	7.9
143.08562	27.6
145.10135	64.4
157.10156	20.0
159.11697	16.0
163.11165	100.0
167.07069	11.0
169.10164	9.2
171.08008	12.9
171.11700	25.4
181.12245	19.2
183.11731	8.7
184.05167	19.5
185.13239	16.5
189.11223	8.9
199.07478	11.4
199.14838	7.6
212.04614	7.3
227.07043	75.1
227.10481	15.9
227.12659	96.7
227.15857	8.3
227.17883	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03944	1.0
53.26913	0.5
55.01856	1.6
55.05506	6.2
57.03197	0.6
57.03437	8.9
59.05002	0.5
61.02905	0.8
65.03919	0.9
67.05501	8.2
69.03425	0.9
69.07066	3.8
70.64426	0.4
70.64795	1.5
71.01333	0.5
71.04983	3.1
77.85838	0.4
79.05489	22.4
79.70351	0.5
81.03402	0.8
81.07050	7.0
83.04965	1.8
83.08615	5.0
85.02889	0.5
85.06516	0.9
91.05479	7.1
93.07041	16.8
95.04959	2.2
95.08605	5.6
97.06525	1.4
97.10155	1.1
98.97597	0.6
99.04446	0.5
100.11219	1.9
105.07032	4.1
107.04959	0.8
107.08588	9.9
109.06511	1.5
109.10176	0.8
111.08076	0.8
119.08582	1.5
121.06494	1.1
121.09328	0.7
121.10136	8.7
123.04376	0.6
123.08025	1.0
123.11672	0.6
125.09631	0.7
129.06978	1.1
131.08563	2.5
133.10144	0.7
139.11148	2.2
142.07732	0.6
143.08530	1.6
145.10161	0.5
149.06058	0.6
149.09613	1.4
155.08450	0.5
157.10133	1.3
167.06998	3.3
167.08429	1.0
167.10588	0.9
171.08043	0.9
171.11714	1.3
177.00587	0.6
177.05350	0.6
185.09621	0.5
185.13235	1.2
199.14763	0.9
209.11580	0.7
212.99065	0.5
227.12758	100.0
227.17560	2.7
228.13150	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0701
Annotation	Stemofuran A
Peak:m/z	Relative Intensity
50.81201	0.3
53.03943	0.4
55.01868	0.8
55.05508	2.2
56.96563	0.4
57.07060	0.6
57.64605	0.3
67.05481	1.0
69.03445	0.4
69.07057	1.1
69.53377	2.7
71.04975	0.4
79.05479	1.1
81.03418	0.6
81.07044	1.6
83.08598	0.9
91.05478	1.4
92.05823	0.7
93.07040	0.9
95.04958	0.8
95.08611	0.6
97.10170	1.3
100.11256	1.1
105.03368	0.4
105.07018	0.7
107.08609	0.7
107.34817	0.3
110.20707	0.3
115.05467	0.9
117.07009	0.4
125.09599	1.0
128.06229	6.7
129.07007	2.5
131.04900	1.4
131.08548	0.7
133.02815	0.6
138.48819	0.3
141.06993	0.5
142.07733	0.5
143.08560	5.4
145.02837	0.5
145.06442	0.8
145.10233	0.5
149.02242	0.5
152.06187	1.5
153.06972	2.0
153.98094	0.4
156.05737	0.5
157.06427	1.6
157.10114	0.9
161.02339	0.4
167.07048	0.5
169.06520	0.6
171.04373	0.4
171.08061	3.8
171.11763	0.9
181.06461	5.4
181.10266	0.3
184.05168	3.4
185.05943	1.6
185.13304	1.0
189.11156	0.5
198.06657	0.4
199.07597	2.6
209.05933	0.7
209.13364	0.4
227.07022	100.0
227.17812	1.8
228.07262	1.9
238.73227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.03931	2.2
55.01871	6.8
55.05495	2.5
57.03423	0.9
65.03937	10.7
67.05502	5.0
67.51685	0.7
69.03426	1.8
69.07060	1.8
70.13764	3.3
71.04985	1.0
73.02912	36.4
79.05473	2.0
81.03403	0.8
81.07039	1.6
82.04219	3.7
82.04607	0.7
83.04998	1.1
83.08632	0.7
85.02909	5.5
86.09654	0.8
91.05464	2.5
93.03385	1.4
93.07043	2.3
95.04966	12.1
95.08595	1.2
97.02892	1.5
97.06506	3.5
97.10175	0.7
99.04430	0.9
99.08099	2.5
100.11230	2.4
103.05437	0.8
105.04440	0.7
107.04900	0.9
107.08565	1.4
108.02084	1.8
109.06495	1.3
109.10126	1.4
109.79903	0.7
110.03705	3.8
111.04437	2.5
111.08043	0.7
119.08568	1.0
120.60258	0.8
121.06494	3.3
121.10117	1.7
123.00828	0.7
123.04418	8.5
123.11663	0.8
125.02326	5.2
125.05961	2.7
125.09618	0.8
127.07537	1.5
133.10092	3.1
137.05919	0.9
138.03093	2.2
139.11148	0.8
140.04675	56.2
141.04988	0.9
141.39226	0.7
142.02603	2.5
153.05434	1.5
153.09082	2.3
155.07019	45.4
167.07014	5.0
171.06519	8.9
173.08096	4.1
177.05528	0.9
178.87891	0.7
179.07071	3.6
181.04942	100.0
181.08467	3.1
182.05324	2.3
208.15669	0.7
209.08069	18.2
209.09744	0.6
227.09102	9.6
227.16405	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05507	3.2
57.07077	2.3
67.05504	7.1
69.03412	2.4
69.07078	2.5
71.04978	3.1
71.09795	4.4
79.05478	6.0
81.07052	23.3
83.04988	3.4
85.02903	100.0
91.05475	5.8
93.07039	6.3
95.04968	5.2
95.08607	7.6
97.05775	1.9
97.06487	2.7
99.04464	5.6
105.07017	8.0
107.04977	2.6
107.08593	10.2
109.06535	3.4
109.10139	10.9
111.08118	2.0
119.08581	8.7
121.10133	14.1
123.08083	5.5
123.11701	72.2
125.06004	7.3
125.09639	3.2
126.01958	1.8
132.65952	1.9
133.10170	2.9
139.11166	2.0
145.10129	2.9
147.08064	2.0
147.11690	5.4
149.09633	10.0
151.03970	2.4
151.07565	3.6
161.13274	4.1
163.11211	4.5
165.12817	2.2
165.66864	2.2
167.10680	4.5
175.03854	2.4
189.12799	7.8
207.06595	3.4
207.13799	15.9
225.14819	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	MKN-003A
Peak:m/z	Relative Intensity
55.05494	8.3
57.07062	5.2
59.04989	8.8
67.05499	27.9
68.15240	2.7
69.03414	3.0
69.07059	4.9
71.02238	6.0
71.04969	8.0
79.05466	7.1
81.07047	11.6
81.26046	2.1
83.04963	8.5
85.02900	4.4
85.06535	9.4
91.05476	4.6
93.07043	8.5
95.04950	6.2
95.07984	5.1
95.08598	100.0
97.06502	4.0
99.04443	8.7
99.08087	3.3
105.06990	8.3
107.08566	11.5
109.06508	12.1
109.10155	6.0
113.05979	5.9
115.05485	2.0
119.08585	10.9
121.06462	2.6
121.10111	9.8
123.08066	39.3
123.11675	7.4
125.05979	3.5
125.09606	2.8
133.10130	2.9
135.11694	6.6
137.09586	6.5
141.09047	7.5
147.11636	6.5
149.09589	14.2
151.07524	3.3
151.11208	3.6
153.12323	2.2
157.53993	2.6
161.13254	7.3
163.11125	6.5
165.09096	9.0
165.12756	8.5
179.14238	5.9
189.12805	5.9
207.13812	13.6
225.14854	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.26699	3.7
53.03941	5.0
55.01858	5.7
55.05497	16.1
56.48053	4.3
57.03434	6.2
59.04982	10.1
61.02919	5.3
65.03938	4.6
67.05500	34.7
69.03418	26.9
69.07063	21.8
69.53922	35.0
71.04987	22.4
72.37434	3.8
79.05492	22.2
81.03410	6.6
81.07053	45.1
83.04977	20.9
83.08599	8.8
85.02892	9.9
85.06518	7.0
91.05488	28.4
93.07024	32.2
95.04942	16.8
95.08605	57.7
97.02901	3.8
97.06525	15.0
99.04469	22.7
105.07033	50.2
107.04952	8.6
107.08600	41.1
109.06520	35.4
109.10152	24.7
111.08060	12.0
112.78613	4.5
113.06004	3.9
119.04951	4.8
119.08575	41.9
121.06495	16.1
121.10130	41.5
123.08052	56.1
123.11682	15.1
125.09605	5.5
127.07590	4.7
131.08569	9.9
133.06454	10.1
133.10110	28.3
135.08006	12.1
135.11649	9.6
137.05962	6.9
137.09619	32.1
139.07530	8.4
139.11166	8.4
143.08540	6.8
145.10104	9.4
147.11665	35.0
149.09621	68.4
151.07489	23.4
151.11180	18.5
156.09326	11.4
156.62712	4.1
161.09613	6.5
161.13248	26.4
163.11163	16.0
165.12804	22.1
167.10866	4.6
169.10194	4.6
171.11746	13.1
174.10378	11.0
175.03906	6.9
179.07054	4.2
179.14342	7.8
181.12253	32.5
183.11612	8.3
183.13869	7.6
189.12764	62.2
195.63422	4.1
201.78812	3.9
207.06528	7.5
207.13783	100.0
209.99719	5.1
225.02092	7.9
225.14627	28.2
225.16614	4.3
239.84624	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.06229	1.3
53.03926	5.5
55.01863	7.0
55.05508	43.0
56.96570	6.9
57.03432	9.9
57.07059	1.8
59.04986	2.4
65.03909	2.9
67.05502	41.0
69.03419	11.1
69.07061	29.8
69.68288	1.4
69.84441	2.6
69.84853	6.9
71.04982	6.7
72.68176	1.3
79.05486	47.5
81.03412	100.0
81.07047	42.9
83.04974	49.2
83.08617	6.2
85.02893	2.0
85.06531	2.7
91.05476	35.3
93.07040	40.6
95.04952	26.5
95.08600	34.2
97.06525	10.1
97.10156	8.6
99.04437	1.8
105.03422	1.8
105.07027	30.6
107.04956	10.0
107.08595	12.6
109.06510	6.5
109.10133	4.8
111.08102	1.7
117.07014	6.5
119.08580	22.5
121.01745	1.8
121.06491	18.6
121.10126	10.5
123.08041	9.2
125.09608	2.9
127.70806	1.4
128.06221	1.5
129.07002	11.7
129.45157	1.7
131.08559	4.4
133.06497	2.3
133.10124	17.0
135.11691	6.3
137.09607	2.5
139.11186	2.0
141.70796	1.6
143.08562	9.2
145.10141	12.3
147.08051	6.6
147.11667	11.3
149.09610	1.8
151.11122	1.5
157.15486	1.5
159.11757	1.8
161.09631	3.8
161.13248	13.6
163.11159	3.9
169.09908	1.7
171.11676	22.3
173.04849	2.1
179.14290	4.0
183.11633	1.7
189.12709	10.7
193.12192	2.0
201.08049	1.5
207.13791	55.5
208.14159	1.8
215.09662	2.0
225.09039	1.6
225.14719	19.4
243.09065	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05507	12.4
56.21171	1.8
57.03423	3.4
57.07062	2.9
59.04993	13.9
60.87295	1.7
65.03947	2.8
67.05497	9.9
69.03417	5.9
69.07058	7.9
71.04990	45.2
71.57786	2.6
79.05492	10.2
81.03414	3.7
81.07049	21.8
83.04968	8.3
83.08628	10.0
85.02901	31.6
85.06538	5.6
91.05480	15.0
93.07045	15.3
95.04968	7.7
95.08613	18.3
97.06528	6.3
97.10162	2.7
99.04452	100.0
101.06026	4.7
105.03398	2.4
105.07014	15.1
107.04968	6.4
107.08594	51.8
107.95200	1.9
109.06519	27.9
109.10155	5.3
111.04395	3.0
111.08054	2.8
113.09615	2.7
113.80248	1.8
117.07065	2.7
119.04935	5.6
119.08578	12.3
121.10139	33.9
121.10931	3.4
123.08070	27.0
123.11701	24.7
125.05992	4.3
125.09636	12.6
126.17467	1.7
129.05502	2.8
129.06975	1.8
131.08568	5.1
133.10091	2.5
135.08023	2.5
135.11591	2.4
137.06059	2.5
137.09633	5.4
139.11194	12.3
147.04430	4.5
147.08009	4.1
147.11667	12.2
149.09621	19.2
151.07550	4.0
151.11154	8.5
161.13239	6.0
163.11177	6.4
165.12729	11.8
167.07018	2.4
167.10667	24.1
169.10097	3.1
171.11655	3.7
175.03900	2.7
180.04134	3.9
183.12016	4.0
183.13783	25.8
189.12749	9.4
207.06572	5.5
207.13721	14.5
225.09235	3.1
225.12794	3.8
225.14653	13.3
225.16708	2.5
229.91194	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9722
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06092	26.6
70.86675	54.6
73.97580	19.4
77.39402	17.7
86.55151	16.9
94.93005	39.1
96.92791	23.0
188.09215	20.5
205.96405	19.6
206.10217	21.5
223.97176	57.5
223.99179	100.0
224.11325	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03948	6.1
55.01863	11.3
55.05505	25.1
57.03429	8.8
57.07058	9.9
59.04983	10.0
61.02913	20.7
67.05499	41.1
69.03419	26.3
69.07064	41.4
69.48291	44.9
71.04992	58.9
79.05502	42.7
81.07043	68.4
83.04980	26.6
83.08613	20.1
85.02893	18.6
85.06541	15.5
91.05470	43.2
93.07042	67.8
95.04967	15.9
95.08605	80.5
97.06535	27.7
97.10151	6.1
99.04447	91.9
103.05392	5.1
105.07018	79.5
107.04947	15.6
107.08593	92.4
108.91841	5.3
109.06518	100.0
109.10153	27.6
111.08093	9.6
115.07578	14.3
117.06969	7.8
119.08574	66.4
121.06500	14.1
121.10134	64.1
123.08068	65.2
123.11667	36.5
125.06009	21.2
125.09630	13.3
131.08522	15.5
133.06506	8.0
133.10132	29.9
135.08054	13.9
135.11658	25.6
137.05939	7.2
137.09598	34.0
137.13301	6.2
139.11111	9.4
141.09106	19.2
143.08498	11.2
145.10101	16.3
147.04378	8.1
147.08034	12.6
147.11668	45.8
149.09612	68.0
151.07527	32.2
151.11186	30.2
153.09026	8.2
156.09349	6.5
159.08116	8.0
159.11642	7.8
161.09593	11.4
161.13217	26.7
163.11163	41.6
165.09129	6.0
165.12730	20.3
167.07066	11.7
167.10663	24.6
169.10112	6.2
171.11671	12.1
174.10410	10.1
177.12701	8.5
179.14267	10.1
180.04199	6.3
181.12236	7.1
181.89568	5.1
183.11690	6.7
183.13754	20.6
189.12701	36.5
194.09743	5.5
207.06523	5.9
207.10265	6.2
207.13777	48.9
220.55786	5.7
225.12793	10.9
225.14737	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03925	7.2
54.25901	3.6
55.01848	8.9
55.05510	41.0
55.26390	3.2
56.04301	3.3
57.03432	28.5
57.07055	12.3
59.04982	8.9
65.03944	9.0
67.05503	27.6
67.53356	4.1
69.03413	15.5
69.07063	18.8
69.48578	5.5
69.48978	28.2
71.04993	35.1
79.05483	31.7
81.03408	60.4
81.07051	62.6
83.04983	69.3
83.08606	7.6
85.02900	93.8
85.06525	9.6
91.05472	69.7
91.90402	3.4
93.07027	35.0
95.04965	54.7
95.08605	53.2
97.02865	5.5
97.06516	28.5
97.10142	8.3
99.04449	85.4
99.08078	12.6
103.05485	5.4
105.03369	9.9
105.07037	34.6
107.04929	15.2
107.08597	56.9
107.69729	4.2
109.06509	35.5
109.10159	18.3
111.04446	7.6
111.08057	10.2
113.06014	5.2
117.07003	6.6
119.04221	3.9
119.04958	38.5
119.08573	41.4
121.06499	11.5
121.10133	54.9
123.04420	6.9
123.08052	100.0
123.11690	11.1
125.05982	48.7
125.09618	29.0
127.07565	5.9
127.11214	3.9
131.08539	6.0
133.02727	5.6
133.10109	15.4
135.08035	34.5
135.11684	11.8
137.05968	15.9
137.09615	21.6
137.13252	4.8
141.09070	16.3
145.10132	9.9
147.04401	29.3
147.08031	8.3
147.11655	29.3
149.02350	7.5
149.09604	37.2
150.92853	4.4
151.07544	31.4
151.11116	5.6
153.09090	7.5
155.10641	5.3
157.03874	4.2
159.11708	4.5
161.13269	24.1
163.09895	3.7
163.11177	66.3
165.05392	5.4
165.09131	7.1
165.12741	12.2
167.06885	4.3
167.10652	8.6
169.08646	9.9
171.11664	8.2
175.03903	51.4
175.05350	6.3
177.12758	10.7
179.14313	10.0
180.04187	11.5
181.12216	10.8
183.06529	5.9
183.13794	10.3
189.12758	31.5
192.04207	18.2
193.05028	5.7
195.13823	6.8
207.06517	49.1
207.13820	56.2
225.03943	5.6
225.12820	6.5
225.14799	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03931	8.0
55.01856	6.9
55.05513	23.7
56.96550	5.4
57.03418	5.0
57.07069	7.5
59.04971	9.0
64.46880	2.7
65.03918	8.5
67.05230	2.4
67.05505	24.8
68.05037	4.1
68.38078	3.2
68.99764	5.5
69.03428	24.6
69.07061	14.8
70.06572	3.6
70.55022	10.3
71.04979	9.5
79.05497	37.8
81.03408	8.5
81.06665	3.1
81.07060	41.8
83.04975	31.2
83.08591	9.6
85.02876	9.0
85.06522	4.2
87.00820	2.5
89.14038	3.1
91.05470	37.1
93.07043	79.5
93.51501	2.9
94.07339	3.3
95.04958	24.8
95.08596	42.3
95.44778	3.2
97.02887	12.1
97.06506	12.9
97.19778	2.8
98.97586	4.9
99.04411	3.9
99.08076	4.2
100.86780	2.9
103.05421	5.1
103.34315	2.7
105.03382	3.7
105.07025	29.3
107.04947	21.0
107.08591	67.1
109.06526	25.7
109.10118	14.4
111.04387	9.6
111.08122	18.6
115.79784	3.9
116.98589	5.3
117.07027	15.9
119.08572	31.0
120.08054	9.1
121.02819	7.1
121.06499	34.0
121.10131	34.4
123.04422	7.0
123.08054	27.4
123.11613	4.9
125.05957	10.0
125.09593	5.4
131.08600	14.7
133.10083	10.8
135.04369	9.0
135.08060	24.5
135.11694	60.0
136.12085	3.8
137.05940	6.0
137.09593	20.3
139.03894	5.9
139.07535	20.3
145.06396	4.4
145.10139	17.2
147.08060	6.7
148.05347	3.2
149.02338	17.1
149.05934	13.8
149.09575	13.9
149.13214	12.9
151.03897	8.4
153.05490	5.8
153.09084	6.2
159.08041	5.2
159.11719	24.2
161.09639	3.2
162.03082	7.2
163.03882	9.3
163.07526	17.5
163.11189	47.1
165.06917	4.0
165.09045	5.7
167.03384	11.9
167.06978	8.4
177.00716	3.6
177.09122	14.4
177.12762	64.7
179.14268	4.5
181.08617	43.7
181.10066	5.1
181.12148	5.1
187.11137	7.0
190.02573	5.6
195.08157	3.8
195.13818	9.3
205.08572	24.9
205.12221	36.2
205.15837	5.0
223.05930	25.2
223.09486	8.7
223.11479	5.8
223.13245	100.0
223.16840	14.7
225.04321	14.9
227.02171	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03950	1.4
55.01868	1.6
55.05275	0.5
55.05511	7.9
56.96570	0.4
57.07063	0.4
59.05014	0.3
65.03934	1.2
66.04713	0.5
67.05508	7.3
69.03413	0.5
69.07070	7.3
69.94830	1.7
70.11592	0.2
71.04998	0.8
78.04697	0.4
79.05489	4.2
81.03419	14.0
81.07052	4.7
83.04961	0.8
83.08619	3.0
85.02874	0.3
85.06544	0.4
87.08084	0.4
91.05486	3.2
93.07054	2.8
94.04175	5.8
94.04760	0.3
95.04971	13.8
95.08611	2.3
97.06509	0.6
97.10196	0.3
103.05437	0.4
105.07006	1.0
107.04957	6.5
107.08593	1.3
109.06504	1.2
109.10152	0.4
111.08053	0.5
117.07004	1.1
119.08571	1.0
121.06477	0.8
121.10114	0.8
121.85267	0.3
123.08032	0.9
131.08559	1.1
133.10098	0.5
135.04439	0.3
135.08025	0.8
135.11667	0.4
145.10089	0.9
149.02333	0.8
149.09677	0.4
159.11687	0.7
161.09671	0.4
162.03157	0.7
163.03883	0.8
163.11169	0.5
169.10019	0.3
179.03400	0.4
187.11156	0.3
190.02597	0.9
193.10104	0.4
205.12216	1.0
207.02820	0.4
208.03632	0.5
223.06041	4.2
223.13281	100.0
224.13649	2.6
225.04236	1.3
227.02246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03928	1.1
53.94225	0.3
55.01869	1.6
55.05273	0.4
55.05508	6.7
56.96555	0.8
57.07055	0.4
65.03921	1.0
66.04723	0.4
67.05173	0.5
67.05501	6.4
69.03418	0.7
69.07062	5.7
71.04971	0.6
71.58433	0.5
79.05492	3.8
81.03416	11.5
81.07056	5.1
83.04951	1.1
83.08183	0.4
83.08614	3.1
87.08078	0.7
91.05463	2.9
93.07047	2.6
94.04186	4.7
95.04963	16.9
95.08595	2.9
97.06509	1.1
105.03388	0.6
105.07006	1.8
107.04944	6.7
107.08568	1.3
109.06545	1.7
109.10106	0.6
111.08052	0.8
117.07015	1.7
119.08549	1.1
121.06485	1.1
121.10107	1.3
123.08036	1.1
129.06985	0.3
131.08557	1.4
133.10130	0.7
135.04431	0.4
135.08069	0.4
135.11621	0.8
141.07036	0.4
143.36906	0.3
145.06474	0.7
145.10085	1.0
149.02312	1.2
149.05937	0.5
159.11641	0.7
162.03029	0.4
163.03876	0.7
163.11139	1.2
169.10188	0.4
177.12758	0.5
187.11311	0.4
205.12114	1.7
223.06114	1.7
223.13266	100.0
224.13615	2.9
225.04230	1.1
227.02263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
52.10086	0.5
53.03938	3.7
55.01879	1.6
55.05506	2.7
56.96578	1.9
57.07073	1.2
59.04995	0.5
59.91884	0.5
65.03958	2.5
67.05505	9.1
69.07082	2.0
70.18231	2.1
71.04984	0.7
78.04708	0.5
79.05494	5.3
81.03427	6.8
81.07049	11.8
83.04996	1.7
83.08648	0.9
84.12036	0.6
85.02927	1.1
91.05475	41.9
92.05826	0.6
93.07028	5.6
95.04964	16.5
95.08604	7.7
97.06521	1.2
98.21477	0.7
103.05456	1.3
105.03382	0.8
105.07024	5.2
106.04199	1.7
107.04942	2.7
107.08590	3.0
109.06557	2.1
109.10165	1.8
111.04449	0.6
111.08089	0.9
115.05446	0.6
117.07017	2.0
119.04935	33.7
119.08590	1.6
120.05286	0.8
121.06525	2.2
121.10107	1.4
123.08073	2.0
127.79186	0.6
128.39363	0.5
131.08572	1.9
133.10181	1.1
135.04431	0.7
135.08061	1.5
135.11678	2.0
141.06938	1.0
145.06493	0.9
145.10118	2.6
147.08038	0.9
149.02362	3.0
149.05972	100.0
150.06328	3.1
159.11729	1.7
162.03114	0.8
163.03860	1.4
163.07533	13.7
163.11183	2.5
167.03334	0.7
167.10851	0.6
173.09657	1.0
177.12782	1.1
177.29932	0.5
181.12309	0.6
187.11067	1.0
190.02638	1.5
193.10081	1.1
195.11676	0.8
205.12227	41.0
206.12616	1.0
208.03645	0.8
223.05995	5.5
223.11333	1.1
223.13226	23.0
223.16888	2.4
225.04268	3.1
227.02156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03943	1.2
55.01871	1.6
55.05506	4.3
56.12117	0.4
56.96558	1.0
63.48862	0.3
65.03938	2.1
67.05173	0.6
67.05502	8.8
69.03419	0.6
69.07065	4.0
71.04987	1.4
71.37624	0.9
78.74883	0.3
79.05489	5.6
81.03421	3.8
81.07060	11.3
83.04956	1.9
83.08614	1.6
85.02885	2.3
85.06523	0.6
87.04462	0.4
90.42268	0.4
91.05478	5.6
93.07051	5.4
95.04966	100.0
95.08611	6.3
96.05303	1.4
97.06530	1.8
105.07034	3.1
107.04954	2.3
107.08586	2.7
109.06507	3.6
109.10139	0.8
117.07019	2.1
119.04939	0.3
119.08573	4.7
121.06483	3.0
121.10151	2.8
123.08051	2.9
129.07063	0.8
130.07794	0.6
131.08574	2.3
133.10152	1.2
135.08043	1.6
135.11667	2.8
141.06937	0.9
143.08572	1.1
145.10127	4.8
146.10440	0.4
147.08040	3.0
149.02357	1.7
149.05923	0.6
149.09654	0.9
149.13304	0.5
159.08092	0.4
159.11700	1.5
161.09631	0.9
162.03107	0.9
163.03902	1.2
163.07587	0.5
163.11183	12.2
165.09125	0.9
167.03465	0.5
169.10155	0.9
177.05449	0.5
177.12770	1.5
182.05736	0.8
187.11195	2.2
190.02657	1.1
205.12199	2.6
208.03694	0.8
208.12535	0.9
213.40996	0.5
223.02399	0.8
223.05936	4.4
223.13203	7.2
223.16599	1.8
225.04364	1.6
227.02176	0.5
238.68816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
51.57176	0.8
53.03942	3.3
53.14074	0.7
55.01867	6.0
55.05511	9.9
57.03423	1.6
57.07074	3.7
59.04993	1.4
64.52858	0.7
65.03947	3.8
67.05504	16.3
69.03419	3.9
69.07061	11.2
71.04978	3.5
71.58171	0.8
71.58585	0.9
78.04734	1.6
79.05492	17.0
81.03416	17.6
81.07052	19.4
81.51794	0.8
83.04996	5.1
83.08615	6.0
85.02901	1.2
85.06525	4.9
87.04467	1.4
91.05477	36.3
92.05811	0.8
93.07040	18.3
94.04170	2.1
95.04967	22.4
95.08598	17.2
97.02913	2.0
97.06507	3.7
97.10151	1.2
99.04414	1.0
99.08094	1.0
103.05453	2.6
104.11200	0.8
105.03384	2.2
105.07019	10.0
106.04178	1.2
107.04954	10.5
107.08599	11.8
109.02885	1.7
109.06513	12.4
109.10146	11.3
111.04401	1.6
111.08066	3.9
111.11706	1.2
115.05455	9.7
116.06241	1.0
117.07014	16.5
119.04941	22.5
119.08575	6.0
120.08909	2.1
121.06506	8.4
121.10137	11.0
123.04430	4.7
123.08057	3.3
123.11687	2.5
125.05946	0.8
125.09660	1.6
129.07005	1.3
131.04927	1.6
131.08542	5.3
133.02837	1.8
133.10127	3.5
134.03645	1.8
135.04413	9.6
135.08046	5.5
135.11664	4.7
136.08461	0.7
137.06010	0.9
137.09630	4.0
137.13257	1.2
138.09947	1.9
139.07564	2.8
141.06972	2.2
143.08519	1.5
144.05688	1.7
145.06476	13.3
145.10120	6.1
147.04382	4.3
147.08028	1.4
147.11649	1.6
149.02342	5.1
149.05975	56.1
149.09615	6.1
149.13268	4.4
150.13597	1.2
151.03888	11.4
151.11227	1.1
152.71118	0.8
153.12720	0.9
157.10162	1.1
159.08040	2.3
159.11707	5.1
161.05930	0.8
161.09676	1.6
161.61293	0.9
162.03088	3.4
163.03860	5.9
163.07530	16.5
163.08794	1.3
163.11160	3.1
163.14784	1.5
165.05611	1.0
165.06995	1.7
165.12811	3.8
165.13947	0.8
167.03419	2.6
167.07100	1.0
167.08578	1.3
167.10660	1.1
169.10190	1.3
172.05186	13.0
173.06026	3.5
177.05490	1.1
177.09106	37.9
177.12715	7.2
178.09396	0.8
178.13136	18.0
179.03380	1.7
179.08505	1.4
179.10701	1.6
180.04222	1.2
181.04944	2.8
181.10127	1.4
181.12212	1.3
187.07565	10.4
187.11183	2.9
187.14821	1.3
190.02612	4.7
191.07024	31.0
193.10124	1.5
193.12144	0.9
194.02164	1.2
196.13351	3.1
205.08597	100.0
205.12299	4.2
205.15913	1.8
205.19511	2.4
206.08974	1.7
207.02849	2.5
208.03629	3.7
208.12453	2.0
223.02563	1.9
223.05991	18.6
223.09599	10.5
223.13229	40.9
223.16571	8.8
223.18864	2.4
223.20563	1.8
225.04279	5.8
227.02206	2.0
227.97702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	3.6
55.01868	3.2
55.05262	2.9
55.05512	28.2
56.96566	3.0
57.03424	3.8
57.07059	10.4
59.05002	3.6
65.03935	6.0
67.01860	3.3
67.05499	31.6
69.03419	5.1
69.07072	24.3
70.91227	6.2
71.04993	21.0
73.06565	2.1
74.50267	1.8
79.05491	30.2
81.03424	6.0
81.07056	72.6
82.07402	2.9
83.04987	6.8
83.08617	11.1
85.02914	3.0
85.06539	6.3
91.05473	31.8
93.07040	54.2
93.43182	2.4
95.04954	10.8
95.08607	57.7
96.08984	2.3
97.06540	3.9
97.10169	5.1
98.97559	2.3
99.08092	5.5
103.05457	3.4
105.07024	46.1
107.04961	14.0
107.07868	4.5
107.08594	76.4
109.06535	12.8
109.10151	36.4
111.08086	10.4
111.11787	2.3
115.05458	3.0
116.98640	2.3
117.07009	2.2
119.04963	6.0
119.08583	57.0
121.02880	2.5
121.06518	5.6
121.10143	25.8
123.08076	7.4
123.11687	19.9
125.09621	4.2
127.11183	2.4
128.06209	3.0
129.07011	2.8
130.09914	2.5
131.04967	3.1
131.08583	3.9
133.06477	10.3
133.10129	38.0
135.04382	2.4
135.08052	6.0
135.11690	100.0
137.05965	3.1
137.09644	10.6
137.13284	8.1
139.11131	2.7
143.08597	4.8
145.10146	6.9
146.46545	2.1
147.04405	4.0
147.08104	5.2
147.11682	39.4
149.02347	34.8
149.05965	13.4
149.13251	7.1
151.07574	2.5
151.11183	6.9
157.10181	2.8
159.08002	2.6
159.11728	2.6
161.05989	9.0
161.09618	4.5
161.13275	23.5
163.14793	6.7
165.05486	19.9
165.12778	4.8
167.03365	18.7
171.08070	3.4
175.07478	3.4
175.14865	12.3
177.16336	5.0
185.13226	2.3
189.09216	3.6
190.06233	2.9
193.08640	6.4
193.15884	3.0
203.07042	10.6
203.10750	4.3
203.14369	4.4
203.17932	41.4
206.16232	9.8
221.04425	4.9
221.08102	14.1
221.11723	14.4
221.15430	29.0
221.19034	48.7
221.22331	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75086	4.1
55.57367	4.3
69.88853	23.7
71.07362	7.0
74.06100	6.3
84.91203	5.0
86.09699	29.8
88.45138	3.8
94.06564	57.0
94.93011	37.5
96.89308	4.5
140.38724	6.0
162.94583	13.3
221.99290	100.0
222.01955	99.6
222.04134	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.50315	0.4
50.64299	0.3
53.03955	0.5
55.01874	1.3
55.05512	1.4
57.07074	0.5
58.91206	0.3
59.05004	2.3
61.62346	0.3
65.03937	12.5
65.04285	0.7
67.05510	2.5
68.99773	1.9
69.03415	0.8
69.07073	2.1
71.05003	0.5
71.57559	0.4
71.57933	0.4
78.53712	0.3
79.05492	2.3
81.03417	1.0
81.07056	3.2
83.04980	1.5
83.08604	0.4
85.06544	0.8
91.05476	1.6
93.03409	8.7
93.07028	2.3
95.01377	0.5
95.04961	6.4
95.08607	2.3
97.02898	0.6
97.06515	0.6
105.03400	0.4
105.07012	2.0
107.04959	1.0
107.08610	2.0
109.06506	1.6
109.10126	0.9
111.04430	5.2
111.08058	0.4
115.05457	0.6
117.07026	1.5
119.08601	1.0
120.08153	0.4
121.02866	12.1
121.06501	1.2
121.10146	1.5
123.04433	0.8
123.08071	1.5
125.02333	1.2
131.08592	0.8
133.10149	0.8
135.08040	0.9
135.11696	1.4
137.05960	3.5
137.09592	0.5
139.03911	1.8
139.07527	0.5
145.06487	1.5
145.10133	1.2
147.11658	0.4
149.02335	23.5
149.09613	1.4
151.03899	0.4
159.11682	0.7
162.03098	0.5
163.03943	2.6
163.11165	2.7
165.07047	0.4
165.09068	0.8
167.03395	100.0
168.03676	1.4
173.06010	1.8
177.12779	0.4
177.16298	0.3
181.12112	0.9
190.02678	0.6
205.08595	17.8
205.12299	1.4
205.15810	0.5
208.03786	0.4
223.06236	1.6
223.09639	11.4
223.13058	2.4
223.16907	1.3
225.04237	1.1
227.02216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.33341	1.4
53.03928	2.4
55.05510	20.9
55.23944	1.5
57.07067	4.4
65.03928	2.9
67.05502	20.5
69.03430	2.5
69.07065	15.8
69.38210	6.7
69.38631	8.4
71.04991	25.0
74.97003	1.4
79.05067	1.9
79.05495	23.6
81.07053	75.5
83.04987	3.9
83.08624	8.0
85.06546	6.1
91.05478	22.0
93.07037	49.1
95.04958	5.6
95.08610	40.4
97.06518	2.4
97.10181	1.8
99.08102	5.3
103.05442	1.7
105.07033	37.4
107.04951	2.8
107.08589	71.4
109.06516	5.8
109.10159	30.9
111.08063	3.8
113.09636	2.8
115.71998	1.4
117.06992	2.1
119.07710	2.4
119.08578	49.1
121.06496	3.1
121.10139	14.4
123.08091	3.5
123.11713	19.2
125.09652	4.2
127.11189	4.7
131.08589	2.9
133.06540	2.1
133.10141	28.3
135.11688	100.0
136.12065	2.8
137.09624	5.4
137.13261	6.0
139.11191	1.7
143.08543	1.8
145.10143	2.8
147.11671	28.0
149.02315	12.9
149.05980	1.5
149.09564	2.0
149.13271	7.6
151.11166	5.1
159.11681	2.1
161.06038	2.5
161.13272	10.9
163.14856	5.9
165.12737	3.1
175.14877	4.1
181.01752	1.5
193.08578	1.5
203.17963	31.2
206.16312	2.0
221.04410	1.9
221.08054	2.4
221.15471	5.6
221.19014	51.9
221.21550	2.4
221.22069	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.49712	2.3
53.03933	3.1
54.31551	2.0
55.05502	13.8
57.07066	5.5
67.05496	14.9
69.07072	14.1
70.71581	5.4
70.71912	3.5
71.04993	29.4
79.05493	26.4
81.03414	2.6
81.07053	77.1
83.08625	8.0
91.05460	20.5
93.06475	4.0
93.07039	54.0
95.04960	7.5
95.08600	40.4
97.06534	5.7
97.10154	2.2
99.08083	4.7
105.04512	2.8
105.07025	41.6
107.04942	4.8
107.08591	68.9
109.06542	6.5
109.10152	29.1
111.08055	5.7
113.59565	2.5
115.05420	3.8
117.06903	2.6
119.04926	2.8
119.08574	48.8
121.10133	11.5
123.08086	3.6
123.11701	13.8
127.11163	4.2
131.08537	2.7
133.06421	3.0
133.10118	33.4
135.08078	4.8
135.11687	100.0
135.12718	5.5
137.09598	6.1
137.13275	3.2
145.10149	4.7
147.04430	4.5
147.08055	3.1
147.11681	34.7
149.05984	11.5
149.13249	10.6
151.11137	3.6
159.11807	2.5
161.13251	17.6
163.14789	4.2
165.12766	3.9
171.08061	3.5
175.03886	3.3
175.14816	5.7
203.03343	7.4
203.06912	2.7
203.10555	4.5
203.17973	30.4
206.16254	3.9
220.78416	2.6
221.08060	3.0
221.11652	5.3
221.15324	8.2
221.19002	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02372	1.0
53.03948	5.2
55.01862	1.7
55.05516	10.3
56.96564	5.1
57.07073	1.5
59.04992	1.3
61.18015	0.8
65.03949	2.0
67.05508	22.4
69.06725	0.9
69.07067	12.1
69.45988	7.1
69.59650	0.7
71.04984	3.6
73.06538	1.5
79.05497	80.6
80.05807	1.4
81.03419	1.0
81.07063	41.3
83.04961	2.3
83.08617	4.5
85.02898	1.3
85.06561	5.3
87.04481	2.0
91.05485	55.6
92.06310	1.0
93.07050	100.0
94.07351	1.7
95.04977	13.8
95.08607	19.3
97.06519	2.2
97.10153	0.8
99.04447	0.9
101.06027	1.1
103.05449	1.7
105.04491	2.4
105.07030	38.0
107.08600	78.4
109.06506	6.1
109.10161	2.9
111.08056	2.2
113.05936	0.9
115.05431	0.9
117.07018	8.4
119.04912	2.9
119.08589	55.5
121.06532	5.8
121.10147	34.5
123.08080	4.5
127.07569	1.4
128.06218	2.8
129.07025	5.9
131.08578	11.5
133.10141	15.4
135.08054	4.9
135.11700	1.8
137.06036	0.8
137.09595	1.5
139.07513	1.8
143.08571	13.3
145.10127	2.2
147.08049	4.4
147.11688	5.3
149.05968	6.7
149.09541	0.8
153.09113	2.0
157.10110	5.4
159.11707	10.5
161.09651	4.1
161.13260	47.4
162.13683	1.0
165.09056	2.3
170.10883	0.9
171.08022	1.2
175.02707	1.9
175.11229	5.5
175.14818	11.4
179.10567	1.5
185.13268	20.8
193.03799	2.4
199.06427	1.2
203.14320	14.6
206.10834	1.1
206.16185	2.6
217.07506	3.5
221.11711	2.4
221.13435	2.0
221.15355	35.3
221.17580	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.01597	0.6
51.02375	0.8
51.31193	0.3
52.28033	0.3
53.03938	3.8
54.78279	0.3
55.01869	2.2
55.05508	11.4
56.96558	0.7
57.03434	0.6
57.07064	1.1
59.04988	1.4
65.03936	2.5
67.05500	17.2
68.02419	0.3
69.03421	0.9
69.07066	11.0
70.49099	1.1
71.04987	4.0
73.06557	1.2
77.03923	1.3
78.04723	0.4
79.05489	71.8
80.05815	1.1
81.03409	1.4
81.07051	46.2
82.07383	0.5
83.04974	2.6
83.08611	4.7
85.02888	1.0
85.06537	4.1
86.07464	0.3
86.11079	0.3
87.04461	1.0
91.05474	50.4
92.05781	0.7
92.06287	0.4
93.07037	100.0
94.07371	1.3
95.01328	0.3
95.04962	14.7
95.08601	20.6
96.08929	0.5
97.02879	1.6
97.06505	1.9
97.10158	0.5
99.04462	0.3
99.08100	1.0
101.06020	0.7
103.05463	0.9
105.04518	2.3
105.07024	40.5
107.04943	1.2
107.08586	73.4
108.08915	1.1
109.02859	1.6
109.06506	5.5
109.10155	2.2
111.04436	1.0
111.08088	1.4
113.06017	0.5
115.05444	1.1
115.07546	0.3
117.07009	5.2
119.04938	3.0
119.08573	38.0
120.08842	0.4
121.06494	4.8
121.10133	17.3
122.10497	0.4
123.04430	1.0
123.08056	5.6
123.11646	0.4
124.05145	0.5
125.09576	0.4
127.07535	1.5
128.06200	2.6
129.07005	4.0
131.08562	8.6
133.06450	1.0
133.10124	12.2
135.08054	3.4
135.11691	1.8
137.05968	1.2
137.09604	1.4
139.07524	1.4
141.07109	0.4
141.09103	0.5
142.07742	1.0
143.08559	10.7
144.09357	0.5
145.10162	2.0
147.08046	2.8
147.11685	5.9
149.02310	0.3
149.05974	8.6
149.07120	0.6
149.09599	0.3
150.83810	0.3
151.07486	0.4
153.09091	0.8
157.10106	5.3
159.10614	0.2
159.11678	7.9
161.09621	5.7
161.13245	34.0
162.13579	0.7
163.11261	0.4
165.09077	2.4
165.12724	1.3
170.10867	0.5
171.08041	0.9
175.11180	6.9
175.14812	6.5
179.10709	1.5
183.11639	0.5
185.13254	16.5
186.13628	0.7
193.10573	0.4
193.12234	3.2
193.15985	0.4
203.06964	0.4
203.10629	1.3
203.14299	10.0
204.14677	0.4
206.10980	0.3
206.16246	1.9
211.13258	0.5
217.07530	0.4
221.04446	0.6
221.08174	0.6
221.11880	4.9
221.15343	22.0
221.18256	1.4
222.15689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02351	1.3
53.03944	7.6
54.72367	1.1
55.01867	2.6
55.05510	14.3
56.96567	11.3
57.07067	2.2
65.03931	3.1
67.05502	18.6
69.07063	10.4
71.04975	5.6
71.31522	2.7
73.06525	1.4
79.05492	75.4
79.54418	1.2
81.03400	2.2
81.07056	49.7
82.15060	1.1
83.04967	3.0
83.08611	8.3
85.06535	3.5
91.04907	2.4
91.05475	52.4
93.07040	100.0
95.04961	14.0
95.08605	24.7
97.06522	2.2
99.08060	1.9
101.05997	1.4
105.04486	1.9
105.07028	39.6
107.04951	3.2
107.08591	78.8
109.06524	9.5
109.10135	4.3
111.08057	3.8
117.07001	6.5
119.04934	10.0
119.08580	45.8
121.06509	7.0
121.10141	21.5
123.08059	5.9
127.07534	2.4
128.06236	3.5
129.07001	4.2
131.08598	8.9
133.10124	13.8
135.08101	2.8
135.11690	3.4
137.05965	2.2
137.09563	3.0
139.07516	2.0
142.07762	1.9
143.08537	12.7
147.04396	1.7
147.08006	4.3
147.11687	6.5
149.02361	1.6
149.05975	28.1
151.11128	1.7
157.10101	4.0
159.11725	9.6
161.05893	1.4
161.09601	5.8
161.13252	37.4
165.05544	1.8
165.09123	3.8
167.03403	2.5
171.08057	3.5
175.02765	9.3
175.11189	7.6
175.14830	7.9
178.07750	1.7
179.10666	2.2
185.13266	17.5
193.03806	8.6
193.10080	1.3
198.04277	1.8
203.10777	3.2
203.14323	11.2
206.16170	7.6
217.07426	4.4
221.04510	2.5
221.08098	2.9
221.11787	9.1
221.13432	1.8
221.15341	27.5
221.17935	3.7
231.95036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1533
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02371	1.3
53.03936	5.6
55.01868	7.2
55.05262	1.5
55.05508	15.2
56.96542	3.1
57.03408	1.7
57.07067	1.7
59.04999	7.5
65.03915	4.5
67.05499	29.5
69.03421	7.0
69.07062	17.1
71.04988	5.9
71.58002	2.3
73.06529	1.1
77.03907	1.5
78.20225	0.9
79.05486	79.2
80.05807	1.4
81.03386	3.5
81.07050	58.4
83.04985	8.4
83.08611	7.1
85.02865	3.0
85.06508	4.4
87.04478	1.3
91.05473	67.1
93.07038	100.0
94.07389	1.4
95.04961	30.0
95.08599	30.0
97.02291	1.4
97.02885	20.3
97.06514	5.3
99.04422	2.8
99.08064	1.5
103.05476	1.0
105.04504	2.4
105.07027	53.2
105.33575	1.0
106.07343	1.7
106.30210	0.9
107.04963	7.5
107.08588	76.5
108.05762	1.3
108.08906	1.5
109.06516	15.5
109.10174	5.7
111.04440	10.2
111.08057	3.0
113.05979	2.3
115.05460	1.5
117.07001	7.8
119.04911	4.0
119.06008	1.3
119.08571	51.7
121.06510	7.5
121.10128	22.4
123.04386	1.5
123.08057	6.9
123.11726	1.4
125.05956	3.7
127.07478	1.5
128.06201	3.9
129.06999	9.1
131.08551	11.5
133.06465	3.2
133.10127	19.9
135.08052	3.4
135.11641	2.5
137.05965	6.1
137.09579	2.8
142.07733	3.0
143.08554	7.5
143.43706	1.1
145.06367	1.1
145.10094	3.8
146.07207	1.3
147.04387	1.4
147.08028	6.2
147.09055	1.2
147.11682	21.5
149.05991	9.1
149.09604	2.4
151.11148	3.0
157.10127	10.2
159.11681	9.7
161.05931	1.7
161.09613	6.2
161.13249	36.9
163.11186	1.9
165.09082	2.7
165.12753	17.9
167.03349	2.6
175.02679	1.0
175.11182	30.8
175.14772	8.3
179.10638	4.7
179.14261	2.2
185.09641	1.8
185.13237	16.9
193.10435	2.4
193.12230	49.6
194.12508	1.8
203.07065	2.3
203.10609	4.9
203.14273	11.6
205.15039	1.3
206.16158	4.6
209.72308	1.1
211.13304	9.6
217.07375	1.8
221.04382	1.8
221.07961	2.0
221.11794	20.5
221.15323	35.3
221.17639	2.1
222.12146	1.1
234.14922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.23888	1.6
53.03940	8.0
55.01866	2.0
55.05508	12.3
56.96569	2.7
60.58402	1.6
61.80865	1.5
65.03925	2.8
67.05501	19.2
69.07065	11.8
70.70895	4.3
70.71243	2.1
71.04971	4.1
77.43184	1.4
78.28503	1.4
78.32459	1.3
79.05489	75.8
81.07055	39.5
81.88169	1.4
83.04990	1.8
83.08612	5.9
85.06539	6.2
89.78446	1.3
91.05476	45.3
93.07039	100.0
95.04972	11.6
95.08597	21.6
105.04504	2.4
105.07026	33.6
107.08586	75.2
109.06499	5.0
109.10159	2.2
112.18950	1.6
117.07011	5.2
119.04935	3.4
119.08579	39.0
121.06482	5.4
121.10137	17.5
123.08046	4.9
128.06244	2.6
129.06999	3.4
131.08540	7.3
133.10098	11.7
135.08047	3.4
142.07779	2.0
143.08554	11.2
147.08041	2.9
147.11671	5.1
149.05957	10.4
157.10133	3.9
159.11700	7.2
161.09605	5.2
161.13246	30.8
165.09001	2.1
175.11185	8.7
175.14789	6.1
183.64658	1.8
185.13231	14.5
203.06978	3.3
203.10744	1.6
203.14354	9.2
206.16298	3.1
221.08073	3.4
221.11725	5.3
221.15376	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03943	7.8
53.27907	1.6
55.01877	1.6
55.05513	14.2
55.61788	1.2
65.03926	3.2
67.05505	15.8
69.07071	11.0
69.86108	6.6
71.04986	3.9
73.06564	1.7
74.14909	1.1
74.32021	1.3
77.03910	1.4
79.05493	84.4
81.03448	1.2
81.07055	47.2
83.04987	3.1
83.08609	4.7
85.06527	4.3
87.04509	1.2
91.05479	49.6
93.07041	100.0
94.07357	1.8
95.04967	14.5
95.08605	21.1
97.06539	2.2
105.04498	3.0
105.06309	1.4
105.07031	44.1
107.08589	83.0
109.06525	7.7
109.10178	2.2
117.07007	5.3
119.08581	34.6
121.06522	3.1
121.10129	21.5
121.10928	2.0
123.08057	5.0
127.07491	1.7
128.06247	2.6
129.06995	4.3
131.08588	7.0
133.10120	13.1
134.75342	1.3
135.08063	3.2
143.08553	11.8
145.10168	1.3
147.07999	4.0
147.11708	4.3
149.05988	1.5
155.98074	1.4
157.10149	4.7
159.11684	10.8
161.09630	4.7
161.13252	43.2
165.09061	2.1
175.11168	4.9
175.14857	6.6
185.13261	20.7
186.89748	1.3
187.89330	1.2
203.07158	1.4
203.14313	13.8
221.15346	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.02386	0.3
53.03944	1.3
55.01876	0.4
55.05504	1.9
56.96555	1.1
57.07069	0.6
59.04997	0.3
65.03944	2.1
65.57978	0.3
67.05504	3.2
69.07069	1.9
71.04979	0.9
71.57775	0.5
78.04716	0.4
79.05493	12.8
81.07053	7.9
83.04989	0.9
83.08615	0.8
85.06538	0.8
91.05478	39.7
92.05795	0.3
93.07041	15.9
95.04972	3.3
95.08598	3.5
97.06512	0.6
103.05473	0.4
103.75792	0.3
105.03404	0.7
105.04462	0.4
105.07029	6.4
106.04194	1.2
107.04977	0.5
107.08590	10.9
107.09305	0.6
109.06519	1.1
109.10136	1.1
111.08096	0.5
115.05466	0.4
117.02148	0.3
117.07033	1.4
119.04939	30.6
119.08577	6.0
120.05278	0.4
121.06539	1.9
121.10133	2.7
123.04433	0.9
123.08073	0.8
128.06223	2.5
128.44211	0.3
129.07027	0.9
131.08568	1.5
132.30507	0.3
133.10124	2.5
135.08043	1.0
135.11671	0.3
137.05988	1.0
137.09598	0.7
141.06998	0.4
143.08560	3.3
145.06445	0.4
145.10123	0.7
147.08090	0.6
147.11697	1.0
149.05977	100.0
150.06317	1.6
151.07507	0.4
153.09068	0.4
157.10147	0.9
159.11639	1.6
161.09671	1.5
161.13251	4.0
163.07480	0.4
165.09169	0.6
171.08035	3.6
173.05974	0.5
173.09576	0.4
175.02762	0.5
175.11234	1.3
175.14865	1.1
179.06984	0.4
179.14267	0.3
185.09665	0.9
185.13242	2.5
188.29329	0.3
193.03787	0.4
193.15869	0.4
203.03351	0.4
203.10677	4.2
203.14337	1.9
203.17990	0.4
206.16248	1.7
221.04457	0.5
221.11720	15.8
221.15366	4.9
221.18192	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01863	0.9
55.05518	1.0
56.96557	1.7
57.07050	0.8
59.04991	1.3
65.03928	2.1
66.06824	0.6
67.05500	3.4
69.07070	1.5
70.71401	1.9
79.05473	5.9
81.03395	1.2
81.07057	3.6
83.08618	0.7
89.03870	0.7
91.05470	41.8
93.07034	6.4
95.04954	2.4
95.08584	1.7
101.99432	0.8
105.03372	1.6
105.07001	3.9
106.04137	1.6
107.08583	3.9
109.06495	1.5
115.05454	1.0
117.06985	1.1
119.04929	34.2
119.08581	3.9
121.06501	1.9
121.10133	1.9
123.04469	0.9
128.06197	7.9
129.06978	0.8
131.08607	1.0
133.10120	1.9
137.05948	4.6
143.08556	8.7
145.10110	1.1
147.11664	0.9
149.05968	100.0
150.06259	1.2
159.11685	2.0
161.09650	1.1
161.13228	1.8
161.51796	0.7
163.07559	1.5
171.08034	14.4
173.05931	1.1
173.09557	1.8
175.02763	1.9
175.11151	1.5
175.14806	1.4
185.09560	3.4
185.13272	0.8
188.08325	0.9
191.10684	1.7
193.03717	1.1
203.07225	0.8
203.10648	14.7
203.13916	0.8
206.16165	1.9
218.17955	0.8
221.04356	1.0
221.08257	1.3
221.11705	25.4
221.15305	2.4
223.65611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03958	0.7
55.01860	1.7
55.05510	5.6
56.96556	1.9
57.03431	0.9
57.07067	1.0
60.53830	0.5
64.50894	0.6
65.03932	2.1
67.05500	7.9
69.03416	1.8
69.07079	3.6
69.51305	1.5
69.51715	4.0
71.04974	0.9
73.99246	0.6
79.05488	9.1
81.03406	1.1
81.07055	9.9
83.04965	2.3
83.08619	1.4
85.02886	0.8
91.05471	21.7
93.07045	8.7
95.01285	0.6
95.04983	4.2
95.08608	4.2
97.02850	0.6
97.06509	1.2
98.97570	1.2
103.05448	2.3
105.07026	25.2
107.04939	3.9
107.08596	6.3
109.06556	3.4
109.10165	3.7
109.45065	0.6
110.06052	1.0
111.04473	0.8
111.08099	4.4
115.05429	4.3
116.06210	2.0
116.98595	0.8
117.07014	28.6
119.04921	1.4
119.08579	12.3
120.08101	0.8
121.02851	3.1
121.06513	5.8
121.10104	3.1
123.04411	1.0
123.08057	1.9
123.11669	1.1
124.60047	0.6
128.06180	3.3
129.06989	12.2
130.06520	0.7
130.07793	5.8
131.04915	2.3
131.08562	38.8
133.06496	3.0
133.10117	10.5
135.04417	1.2
135.08028	4.5
135.11656	1.8
137.02351	0.6
137.05984	5.4
137.09575	2.9
141.06999	0.7
141.44011	0.6
142.07774	9.6
143.08566	4.5
144.09341	4.9
145.06483	1.3
145.10118	38.2
146.10472	0.6
146.99583	0.7
147.04395	3.0
147.08076	4.0
147.11705	6.3
149.02336	26.1
149.05968	2.2
149.09605	2.3
151.07524	1.1
151.11143	0.9
153.09085	1.5
157.07573	0.7
157.10127	18.1
158.05983	1.1
158.07208	0.9
159.11687	100.0
160.12054	1.8
161.05991	3.3
161.09607	3.4
161.13235	3.6
162.05579	0.7
163.07545	1.4
163.11215	1.7
165.05487	6.4
165.09068	1.1
167.03380	1.4
173.09618	59.2
174.09926	0.8
175.07465	2.9
175.11201	7.6
175.14816	2.7
177.00693	1.2
177.09093	1.5
177.12741	1.0
178.07637	0.8
179.03267	0.8
179.10658	2.3
184.16350	0.7
185.09593	7.3
189.05432	0.8
190.04979	1.3
191.10664	76.0
193.08597	0.6
193.15869	1.2
194.04807	0.8
203.05278	1.3
203.07054	3.4
203.10660	7.4
203.14328	2.5
206.16205	2.6
221.04485	1.9
221.08066	3.6
221.11678	12.9
221.15367	4.6
221.18085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.82746	0.3
55.05518	0.7
59.73573	0.3
62.60672	0.3
65.03944	1.8
67.05511	1.5
68.31300	0.3
69.07070	0.8
69.41416	1.0
69.41829	2.5
79.05493	1.7
81.03452	0.4
81.07056	2.0
83.08649	0.4
83.26370	0.4
91.05476	34.0
93.07047	1.6
95.04963	1.4
95.08611	1.2
105.03408	1.2
105.07020	2.2
106.04147	0.9
107.04978	0.8
107.08609	1.0
109.10173	0.6
109.47459	0.4
117.07046	0.8
119.04942	31.4
119.08585	1.6
121.06524	1.0
121.10159	0.7
123.04479	0.5
128.06197	3.7
133.10126	1.1
135.11609	0.5
137.05956	3.0
143.08534	3.9
145.06543	0.5
145.10132	0.6
147.08121	0.5
147.11699	0.7
149.05977	100.0
150.06329	1.6
161.05971	0.4
161.09627	1.2
161.13226	0.5
165.05478	0.5
171.08054	6.3
173.06003	1.0
173.09642	0.7
175.11096	0.5
175.75874	0.4
185.09627	1.2
193.08612	0.6
203.06966	0.7
203.10675	6.1
203.14427	0.7
221.08255	0.8
221.11708	22.0
221.15331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03957	1.0
55.05517	2.7
55.76244	0.7
56.96561	3.6
57.07094	1.7
59.05005	1.1
65.03947	2.4
67.05507	4.9
69.03432	0.9
69.07070	2.2
71.05003	0.9
71.57753	1.3
79.05489	6.4
81.03422	1.2
81.07059	7.5
83.05004	1.3
83.08611	1.2
85.06565	1.2
91.05474	42.6
91.49083	0.7
92.05789	0.7
93.07047	7.9
95.04976	4.1
95.08614	4.4
97.27564	0.8
103.05475	1.4
105.03417	0.8
105.07034	6.8
106.04169	1.4
107.04916	0.8
107.08577	7.6
109.06549	1.6
109.10142	1.6
111.08099	1.9
115.05473	1.3
117.07065	1.0
118.98560	0.6
119.04935	33.4
119.08582	6.3
121.06484	3.6
121.10141	1.6
123.04453	1.6
123.08057	1.3
123.11685	0.7
128.06221	9.2
129.07007	1.7
131.08566	1.4
133.06491	1.5
133.10127	3.8
135.08032	2.0
135.11678	1.3
137.05960	3.8
137.09576	1.2
141.06976	0.8
142.07777	1.2
143.08557	9.7
145.06499	1.5
145.10123	1.1
146.07320	0.8
147.04443	0.9
147.08081	1.2
147.11670	1.0
149.05977	100.0
150.06319	0.7
151.11145	0.8
153.09087	0.9
157.10135	1.1
159.11731	0.8
161.09627	1.3
161.13275	2.9
163.03926	0.9
165.05508	1.1
165.09100	1.2
167.03374	2.1
171.08043	17.3
173.05989	2.5
173.09671	1.3
175.02751	1.9
175.11198	0.8
175.14813	2.8
179.10661	0.7
185.09607	1.9
185.13304	1.7
189.09009	0.8
190.07384	1.2
192.95120	0.7
193.03813	2.2
193.15802	1.1
199.07796	1.4
203.07004	1.3
203.10681	12.7
203.14133	1.3
206.10965	1.0
206.16170	6.0
221.04424	1.6
221.08055	2.6
221.09691	1.2
221.11699	23.8
221.15329	5.0
221.18210	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03952	1.6
55.01880	0.6
55.05501	2.3
56.96558	1.0
57.03434	0.5
57.07077	1.0
65.03925	2.0
65.60556	0.4
67.05507	4.1
69.07064	1.4
69.69211	2.2
69.69627	0.7
71.05012	0.5
77.03946	0.5
79.05489	4.8
81.03394	0.5
81.07061	5.0
83.04969	0.5
83.08618	1.1
85.06545	0.7
88.55008	0.3
91.05476	40.5
93.07050	5.0
95.01337	1.2
95.04949	2.8
95.08594	2.0
97.06542	0.4
103.05447	0.7
105.03380	1.1
105.07020	4.8
106.04159	1.4
107.04942	1.1
107.08578	3.2
109.02879	1.6
109.06506	1.5
109.10161	1.3
111.08070	0.9
115.05451	0.9
117.07009	0.9
119.04935	30.6
119.08574	4.5
121.06531	1.8
121.10089	1.9
123.04433	2.1
123.08056	1.1
128.06210	4.7
129.07027	1.2
131.08578	0.8
133.06491	0.7
133.10126	2.1
135.08014	0.6
135.11703	0.7
137.05981	3.5
137.09610	0.7
141.06981	0.5
142.07835	0.7
143.08562	6.0
145.06485	0.8
145.10121	0.9
147.04376	0.7
147.07997	1.0
147.11676	1.8
149.05972	100.0
150.06331	1.0
151.07584	0.7
157.10138	0.7
159.11665	0.5
161.06021	0.5
161.09590	1.8
161.13281	2.0
163.07448	0.5
165.05525	0.5
165.09117	0.7
167.03462	1.1
171.08044	8.5
172.08759	0.4
173.05943	1.3
173.09560	0.5
175.11133	1.3
175.14806	0.4
179.03404	0.4
179.07016	1.0
185.09621	1.8
185.13315	0.5
193.03638	0.5
203.07028	0.7
203.10680	6.8
203.14328	1.2
204.10974	0.5
206.10921	0.7
206.16251	2.8
221.04362	1.0
221.08089	1.2
221.11693	26.6
221.15300	2.2
221.18446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.02415	0.7
51.25781	0.9
52.54605	0.7
53.03932	3.7
55.01870	5.1
55.05511	6.9
56.96562	1.7
57.03437	0.9
57.07069	1.4
59.04998	5.2
65.03939	2.9
67.05507	17.7
68.62255	0.7
69.03426	4.0
69.07069	3.7
70.63866	2.4
70.64241	0.9
71.04987	2.7
74.48566	0.7
75.07317	0.8
79.05489	17.1
81.03416	3.7
81.07050	19.6
81.45404	0.7
83.04975	4.8
83.08622	3.5
85.02903	1.1
85.06512	1.8
91.05477	57.9
93.07039	22.3
93.07624	1.0
95.01328	1.3
95.04977	9.8
95.08603	12.3
97.02888	14.1
97.06540	3.4
99.04449	1.3
103.05473	1.6
105.07025	19.8
107.04938	5.6
107.08599	8.4
109.02883	5.1
109.06510	6.5
109.10138	3.8
111.04447	5.2
111.08094	2.7
115.05426	1.5
117.07027	1.8
119.04938	33.6
119.08587	15.7
121.06509	5.4
121.10125	5.4
123.04424	3.2
123.08066	2.8
123.11713	1.8
125.05976	2.2
128.06206	6.5
129.07001	4.8
131.08574	5.3
133.06488	3.0
133.10115	10.1
135.04410	1.1
135.08014	2.4
135.11636	1.2
137.05980	6.6
137.09579	2.2
139.03792	1.0
142.07748	2.6
143.08534	8.7
145.06453	1.7
145.10100	2.0
146.03706	0.8
147.04388	1.5
147.08014	2.8
147.11691	14.8
149.05975	100.0
150.06305	1.2
151.07549	1.8
151.11166	2.6
157.10135	5.0
158.06053	1.0
159.08061	1.3
159.11671	1.2
161.05951	2.1
161.09645	3.6
161.13231	5.4
163.03923	1.8
163.07526	1.4
163.11160	1.0
165.12769	10.3
167.03429	3.6
171.08064	11.0
173.05960	1.1
175.02682	0.9
175.07486	1.0
175.11203	14.6
175.14757	3.2
182.17769	0.7
185.09613	2.5
185.13225	2.8
193.08568	0.9
193.12234	26.1
193.15855	1.4
201.16736	0.7
203.07008	3.9
203.10637	10.8
203.14377	1.2
203.17990	1.1
206.10887	1.5
206.16206	8.9
211.13275	5.3
221.04439	1.3
221.08290	6.2
221.11684	36.4
221.15031	8.2
221.18668	3.0
234.14882	1.1
241.51953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.02388	0.5
53.03934	0.7
54.85250	0.3
55.05514	1.4
56.96558	1.0
57.07072	1.0
59.04996	0.5
65.03937	2.5
67.05503	5.2
69.03416	0.5
69.07058	1.7
71.04968	0.5
78.04723	0.5
79.05486	2.9
81.03419	0.8
81.07050	6.3
83.04977	0.6
83.08601	0.8
85.06522	0.3
91.05473	39.0
92.05840	0.6
93.07035	2.3
95.01311	0.4
95.04951	1.7
95.08602	5.4
97.10148	0.3
98.21608	0.5
103.05469	0.6
105.03384	0.9
105.07020	3.5
106.04166	1.4
106.07333	0.3
107.04945	0.7
107.08581	2.3
109.02865	0.3
109.06523	1.5
109.10149	3.1
110.33884	0.3
111.08085	1.2
115.05450	0.7
117.06992	0.5
119.04932	33.1
119.08571	2.1
120.05222	0.4
121.02917	0.3
121.06495	2.2
121.10162	1.7
123.04421	1.0
123.08063	0.7
123.11693	1.5
128.06207	4.0
129.06989	0.6
131.04869	0.4
131.08551	0.5
132.05637	0.4
133.06436	0.8
133.10138	2.0
135.04480	0.3
135.08047	0.8
135.11725	0.7
137.05971	2.5
137.09627	0.9
141.06996	0.4
142.07777	0.4
143.08554	4.9
145.06505	0.6
145.10097	0.6
145.74184	0.3
147.04404	0.4
147.08040	0.7
147.11655	1.6
149.05966	100.0
150.06310	1.5
151.03917	1.0
151.11139	0.4
153.09105	0.4
155.06001	0.4
160.08826	0.6
161.05956	0.8
161.09631	1.8
161.13239	1.3
163.07524	0.9
163.11139	0.4
165.05467	0.6
165.09096	0.4
167.03387	0.4
171.08040	7.0
173.05966	1.2
173.09569	0.5
175.02666	0.5
175.03989	0.4
175.07457	0.5
175.11174	0.8
175.14824	1.0
177.09073	0.5
178.07768	0.4
179.07101	0.7
185.09595	1.6
189.08986	0.4
191.08661	0.4
203.06993	0.5
203.10645	6.8
203.14249	0.4
203.17828	0.3
205.14842	0.3
206.05792	0.4
206.16182	1.6
221.04405	1.0
221.08063	1.5
221.11685	23.2
221.15308	2.6
221.18808	1.0
221.22527	0.4
222.12178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58806	0.4
53.03960	1.2
55.05520	1.5
56.96574	1.6
57.03449	0.6
57.07084	1.2
59.05007	0.5
65.03931	2.6
67.05496	4.7
69.03438	0.9
69.07073	1.6
71.05007	0.8
71.57677	0.6
71.76864	0.4
78.04715	0.7
79.05486	5.5
80.05041	1.2
80.40923	0.4
81.03407	0.9
81.07057	6.6
83.04979	1.3
83.08633	1.5
85.06538	0.7
91.05478	40.4
92.05791	1.0
93.07034	4.5
95.01324	0.9
95.04967	3.5
95.08601	4.8
97.02892	0.5
103.05473	0.9
105.03403	1.2
105.07037	6.1
106.04202	0.8
107.04984	1.7
107.08582	4.0
108.26434	0.5
109.06510	1.7
109.10143	2.9
111.08102	1.8
115.05453	1.0
116.60936	0.5
117.07005	1.3
119.04935	34.0
119.08556	4.5
121.06514	2.0
121.10153	1.6
123.04435	1.9
123.08059	1.3
123.11739	1.1
125.05961	0.4
128.06195	3.2
129.07018	1.5
131.04932	0.9
131.08572	1.0
132.05772	0.5
133.06465	1.8
133.10114	3.5
135.04437	0.5
135.08040	1.4
135.11679	1.2
136.25024	0.4
137.06012	3.3
137.09642	1.1
142.07813	0.5
143.08546	5.9
145.06436	0.9
145.10127	0.8
147.04396	1.1
147.11685	2.7
149.05972	100.0
150.06314	2.0
151.11102	0.5
153.09174	0.7
157.10193	0.5
159.11703	0.7
161.05983	1.7
161.09601	1.8
161.13293	1.8
163.03807	0.5
163.07635	0.6
163.11215	0.4
165.05470	1.1
167.03464	2.3
171.08046	6.6
173.05994	1.4
175.03957	0.8
175.07550	1.5
175.11195	1.7
175.14835	1.4
177.09099	0.5
178.07762	0.5
179.10564	0.6
185.09607	1.7
185.13271	0.5
188.08165	0.4
189.05399	0.4
189.09103	0.5
193.06444	0.6
193.08517	0.9
193.15884	0.9
203.06985	1.6
203.10661	7.2
203.14255	1.3
203.18011	0.8
206.05786	0.7
206.10883	1.2
206.16208	2.9
206.54486	0.5
221.04515	0.8
221.08260	3.7
221.11679	23.9
221.15001	4.7
221.18471	1.7
228.18771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03951	0.5
55.01874	0.9
55.05515	1.5
56.96572	0.5
57.07076	0.9
59.05003	0.6
63.72947	0.4
65.03951	2.8
67.05500	3.8
69.03447	0.6
69.07076	1.7
70.70929	0.5
70.71283	1.1
71.05005	0.8
79.05499	3.4
81.03416	0.5
81.07063	5.4
82.17163	0.5
82.18694	0.4
83.04953	0.6
83.08602	0.9
85.06517	0.4
91.05479	38.9
92.05828	0.5
93.07039	4.7
95.04977	3.0
95.08611	3.0
97.06508	0.7
102.35410	0.4
103.05458	1.0
105.03395	0.6
105.07024	4.7
106.04188	1.1
107.04968	1.9
107.08598	3.1
109.06516	0.8
109.10155	2.7
111.08098	0.7
114.83541	0.4
115.05457	1.3
117.03392	0.4
117.07008	0.9
119.04942	32.0
119.08570	4.3
120.05315	0.4
121.02970	0.4
121.06467	2.3
121.10150	1.9
123.04441	1.0
123.08113	0.6
123.11670	1.0
128.06213	4.4
129.07011	1.1
131.04961	0.7
131.08525	0.7
132.05646	0.6
133.06467	0.7
133.10182	2.2
135.04420	0.8
135.08116	0.7
135.11697	1.9
137.05949	3.0
137.09642	1.0
142.07712	0.5
143.08540	6.1
145.10149	1.2
147.04401	1.3
147.08031	0.9
147.11661	2.2
149.05978	100.0
150.06279	2.0
151.07504	0.5
151.11157	0.4
157.10139	0.6
158.57933	0.5
160.05220	0.6
161.05977	1.6
161.09656	1.8
161.13277	1.4
162.06760	0.5
163.03940	1.1
163.07494	1.0
163.11256	0.6
165.09039	0.6
167.03494	0.6
171.08046	8.7
173.05957	1.2
173.09665	0.5
175.07495	0.6
175.11090	0.9
175.14812	0.9
177.16484	0.5
178.06255	0.6
178.07813	0.5
179.06937	0.6
179.10786	0.4
179.14302	0.5
185.09639	1.8
185.13315	0.6
190.06258	1.4
193.08617	1.8
200.52486	0.5
203.07016	0.8
203.08852	0.6
203.10699	9.1
203.17947	1.3
206.05759	0.6
206.16194	1.9
221.04439	0.8
221.08409	3.0
221.11713	26.6
221.14963	2.8
221.18893	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03952	0.6
55.01873	1.2
55.05514	1.6
57.07078	0.5
59.05006	1.0
59.93506	0.4
65.03954	2.6
67.05508	3.3
67.57001	0.4
69.03445	0.8
69.07068	1.1
71.04636	0.6
71.04979	1.0
79.05490	2.8
80.07914	0.5
81.07054	3.9
83.04994	0.9
83.08623	1.1
91.05484	36.2
92.05813	0.5
93.07040	2.6
95.04961	2.3
95.08605	1.9
97.02894	2.3
97.06538	0.5
103.05455	0.8
105.03384	0.5
105.07046	3.0
106.04174	1.3
107.04952	0.9
107.08601	1.6
109.06519	1.5
109.10132	0.9
111.04457	1.4
111.08051	0.9
115.05466	0.7
117.07092	0.7
119.04948	30.4
119.08577	2.8
120.50541	0.4
121.06528	1.8
121.10154	1.1
123.04456	0.9
123.08083	1.0
127.35527	0.5
128.06223	5.2
129.07004	1.4
131.08618	0.7
133.06525	0.9
133.10120	2.1
135.11671	0.5
137.05998	4.2
137.09689	0.5
141.06964	0.5
142.07758	0.5
143.08571	5.3
145.06520	0.8
145.10156	1.0
147.08018	1.0
147.11684	1.7
149.05984	100.0
150.06328	1.4
156.06715	0.5
157.10156	0.6
159.37454	0.5
161.06018	0.6
161.09641	1.4
161.13318	0.5
163.07562	1.1
165.05540	0.5
165.09128	0.9
165.12793	1.8
167.03409	1.4
171.06651	0.9
171.08055	11.7
173.05974	1.3
175.11171	2.9
175.14771	0.7
185.09628	2.5
188.08350	0.6
189.09122	0.6
193.12267	5.1
203.06973	1.6
203.08836	0.9
203.10677	12.2
204.10857	0.5
206.16275	2.3
221.04431	0.7
221.08128	1.2
221.11716	27.1
221.15309	1.7
221.18312	1.5
224.46674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01857	0.9
55.05494	1.2
57.07052	1.9
67.05492	1.4
69.07069	1.2
70.06585	0.7
70.39580	1.2
70.39962	1.0
70.64265	0.5
73.76336	0.6
74.02422	0.7
79.05508	1.2
81.07038	1.8
82.02934	2.1
82.29565	0.5
83.08601	1.5
91.05427	2.9
93.07034	1.1
94.06581	5.0
95.04987	0.9
95.08604	1.8
103.05458	1.6
104.05002	1.2
105.07019	2.3
107.08584	2.2
109.06483	1.0
109.10164	2.5
111.08076	4.3
115.05431	2.2
119.08574	1.9
120.08089	1.4
121.06509	3.7
121.10137	0.9
123.08043	0.9
123.11607	0.8
129.07002	1.3
130.06528	59.6
130.60432	0.7
131.04913	1.1
131.06860	1.3
132.04454	41.0
132.08090	1.0
133.10107	2.0
134.06001	4.8
134.10922	1.0
135.08086	1.8
135.11633	0.8
137.09622	1.7
146.06018	2.1
147.04428	0.8
147.06360	2.0
147.08096	1.2
147.09171	1.0
148.07527	2.5
153.09113	2.4
157.06349	1.3
157.07616	23.5
158.06013	75.0
159.06422	1.2
160.07594	2.9
161.06001	1.4
162.05490	8.0
165.09093	1.6
175.08676	100.0
175.14827	2.8
176.07054	2.6
176.08994	1.4
186.05498	4.2
193.04942	0.9
193.15894	1.9
203.06844	3.0
203.10771	0.6
203.14308	0.8
204.06538	10.4
206.16183	4.7
214.18649	0.7
221.04466	1.0
221.09346	15.3
221.15344	2.8
221.18263	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
52.86022	0.7
55.01863	0.9
55.05507	1.0
67.05499	1.3
69.07059	1.0
70.86694	1.7
70.87041	1.2
73.56800	0.7
74.02429	1.2
82.02926	2.0
83.08614	1.3
91.05452	1.4
94.06539	4.6
95.08633	0.8
103.05448	2.1
104.04998	0.8
105.07020	0.8
107.08617	1.4
109.10170	1.2
111.08087	2.0
115.05425	1.2
117.06956	0.6
119.08535	1.1
120.08076	0.7
121.06490	1.0
121.30830	0.6
129.26999	0.7
130.06517	76.6
131.04913	2.4
131.06865	1.3
131.99133	0.6
132.04442	48.3
133.04811	0.8
133.10118	1.0
135.08058	0.9
137.05971	0.8
137.41873	0.6
148.07532	2.8
156.06757	0.8
157.07610	35.6
158.06001	85.1
159.06348	2.2
161.05943	0.7
163.07632	0.9
175.08661	100.0
176.07059	2.4
176.08974	2.5
177.76872	0.7
186.05466	2.7
193.15857	1.1
203.08255	6.5
204.06590	3.8
206.16246	1.4
221.09293	15.0
221.15317	1.2
222.11284	1.5
233.47906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05503	1.3
56.31209	0.5
57.03418	0.7
57.07062	0.8
59.09905	0.5
62.41007	0.5
67.05505	1.1
67.10910	0.5
69.03400	0.8
69.07072	1.5
71.18719	1.1
79.05500	0.9
81.07056	1.7
82.02938	1.7
90.05535	0.6
91.05480	2.2
93.07058	0.8
94.06569	3.1
95.04945	0.7
95.08607	0.8
103.05493	0.9
104.05003	1.0
105.07060	1.7
106.06521	0.9
107.04984	0.6
107.08607	1.2
109.10160	1.4
111.08084	2.7
115.05438	1.6
117.05738	0.6
119.08573	2.0
120.08124	1.4
121.06535	2.6
121.10142	0.7
130.06523	56.0
131.06870	1.1
132.04448	39.5
133.04753	0.7
133.06490	0.8
133.10135	0.8
134.06020	4.4
135.08060	0.9
137.09619	1.1
146.06024	1.8
147.04411	1.2
147.06273	2.5
147.08032	0.9
147.09167	1.1
148.07541	2.6
151.11203	0.7
153.09093	1.3
157.07610	22.6
158.06010	77.2
159.06442	1.6
160.05266	0.6
160.07587	2.2
161.06010	0.9
161.09567	0.6
162.05484	9.0
165.09163	1.0
175.08670	100.0
176.07077	2.3
176.08955	1.8
186.05539	4.5
193.15886	1.5
203.06905	1.4
204.06557	13.0
206.16238	2.7
221.04462	1.8
221.09358	14.3
221.15309	1.9
221.18257	0.9
226.99437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	CHEBI:69693
Peak:m/z	Relative Intensity
51.21665	0.9
53.03931	1.8
55.01856	3.7
55.05507	5.0
56.96546	2.8
57.03438	1.2
57.07059	2.9
59.04985	0.8
65.03940	1.9
67.05502	7.4
68.99435	1.5
68.99790	18.8
69.03428	4.4
69.07077	3.9
70.06571	1.2
70.18220	0.7
70.18530	4.2
71.04995	1.7
71.05843	0.7
79.05485	6.6
81.07052	7.1
83.04967	3.1
83.08605	2.4
85.02895	1.7
85.06528	0.8
85.22083	0.8
91.05467	18.8
93.07051	8.0
95.01339	1.2
95.04958	4.8
95.08614	5.4
97.02878	1.9
97.06513	1.2
98.21484	0.9
98.97571	3.3
99.08076	1.1
103.05451	2.6
104.06284	0.9
105.03365	1.0
105.07024	21.9
106.80452	0.9
107.04942	7.0
107.08591	11.7
109.06515	4.6
109.10140	4.5
111.04435	1.1
111.08090	5.7
115.05454	3.7
116.98614	2.2
117.07024	7.4
119.04921	5.1
119.08577	16.6
120.08091	1.0
121.06503	7.6
121.10141	3.6
123.04407	2.1
123.08063	1.5
123.11691	1.6
128.06213	4.3
129.07007	26.7
130.06525	7.7
130.07420	1.3
131.04897	3.7
131.08588	4.4
132.04494	4.1
132.05692	3.6
133.02873	1.1
133.06487	6.9
133.10121	6.2
134.99632	2.6
135.04448	1.0
135.08047	7.2
135.11673	2.2
137.05959	3.2
137.09589	3.7
137.13173	0.9
140.28751	0.8
142.07784	1.2
143.04903	1.0
143.08496	1.0
144.05667	1.3
145.06477	3.8
145.10091	2.2
147.04373	4.4
147.08038	15.2
147.11652	1.8
149.06049	1.6
149.09622	1.6
151.03906	1.5
151.07524	2.0
151.11205	1.7
153.09125	2.6
157.06493	5.9
157.07629	1.2
157.10085	1.6
158.06064	5.6
159.08029	2.6
159.11659	1.6
160.05194	20.4
161.02333	3.4
161.05989	9.3
161.09581	3.3
161.13278	1.2
163.03889	5.4
163.07521	1.5
163.11163	1.1
165.09097	3.8
167.03403	2.5
174.06712	1.3
175.03912	5.9
175.07471	20.5
175.08754	5.2
175.11180	3.6
175.14807	4.4
177.00702	1.3
177.05492	1.6
177.09129	6.9
177.12874	1.0
179.03409	2.1
179.07014	1.9
179.10651	1.4
184.75357	0.8
185.05992	8.4
189.05417	1.8
191.10661	0.8
193.04987	1.2
193.08536	2.8
193.15918	2.3
201.05403	0.9
203.07025	92.5
203.10620	2.6
203.14268	1.8
204.07336	1.6
205.14851	0.8
206.16237	5.9
221.04489	3.0
221.08083	100.0
221.11700	5.3
221.15363	7.4
221.18187	2.4
222.08374	2.2
222.11319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
52.61866	0.3
55.05493	0.6
57.07055	0.4
71.24935	0.7
79.05482	0.6
81.07030	1.2
91.05434	0.8
93.07058	0.7
95.08596	0.4
105.07017	1.1
105.83766	0.3
107.08611	0.4
111.08063	0.4
118.06537	14.1
119.07338	0.4
119.08561	0.7
121.06467	0.4
121.10126	0.4
123.08073	0.3
132.08064	3.3
132.08885	0.4
133.08830	1.2
133.10100	0.4
134.09583	0.7
134.10497	0.6
135.07951	0.4
145.10086	0.7
146.09608	3.3
154.77148	0.3
159.07863	0.4
160.11116	0.5
162.09128	7.2
163.09773	0.3
173.85793	0.3
176.10768	4.2
176.14340	31.8
177.11453	1.4
177.14665	1.0
190.09489	0.4
190.12222	3.8
202.15906	1.1
203.06961	0.3
204.14644	0.9
205.15863	3.1
220.16939	100.0
221.15437	0.5
221.17294	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	CHEBI:69693
Peak:m/z	Relative Intensity
53.03936	1.7
53.37655	0.8
53.73396	0.9
55.01851	1.5
55.05500	3.1
56.96555	2.6
57.07080	3.9
57.87969	0.7
58.15696	0.8
59.04993	1.3
60.69045	0.9
64.86568	0.8
65.03932	7.8
67.05502	5.5
68.98459	0.8
69.03407	1.7
69.07036	2.6
71.04982	0.9
71.58287	1.2
71.58713	1.4
77.03941	1.2
79.05492	10.3
81.03390	1.5
81.07051	7.7
83.04961	1.2
83.08639	1.2
85.06526	3.7
91.05467	13.0
93.03403	5.5
93.07038	12.0
95.01315	1.5
95.04962	3.4
95.08612	5.2
99.08080	1.4
105.03385	1.9
105.07037	8.1
107.04933	3.0
107.08591	6.6
109.02863	1.8
109.06532	4.4
109.10123	3.4
111.04414	1.4
111.08072	2.1
117.07051	1.5
119.04930	3.1
119.08572	9.7
121.02857	4.7
121.06467	3.0
121.10132	3.7
123.04439	1.8
123.08038	2.2
126.89557	1.2
128.06195	2.7
129.06979	3.7
131.01288	5.3
131.08539	2.3
133.02905	1.4
133.06488	2.0
133.10129	3.9
135.08052	1.7
137.02321	10.1
137.05991	1.6
141.04655	0.8
143.08572	1.3
145.10129	1.0
147.04494	0.8
147.08047	5.7
147.11688	2.5
149.02336	32.1
149.05974	7.5
151.03912	5.1
157.06429	1.2
157.10098	2.0
160.05255	1.7
161.02339	13.6
161.05917	4.1
161.09653	1.9
161.13240	3.0
163.03903	7.0
165.05482	1.0
167.03397	100.0
168.03699	2.7
171.08109	1.1
175.02669	2.0
175.03967	2.5
175.07538	3.4
175.11217	1.3
175.14725	1.2
185.05968	4.5
185.13194	1.7
193.03719	1.8
193.15848	1.1
203.07030	58.9
203.10690	2.7
203.14272	0.9
204.07407	2.4
206.16212	6.3
221.04553	2.1
221.08078	71.1
221.11656	3.7
221.15167	5.7
221.18443	2.0
222.08492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01865	1.8
55.05513	2.0
56.01375	1.4
57.07074	7.9
59.05002	5.2
61.02897	0.7
62.11302	0.8
62.57038	0.7
67.05496	7.5
69.07059	6.4
70.02944	7.6
70.75524	1.5
72.04149	1.3
72.04517	16.4
73.02911	3.5
74.02437	1.8
75.04488	1.7
79.51102	0.6
81.03412	0.9
81.07063	1.3
83.04953	1.6
85.06539	9.8
85.42856	0.8
86.09682	1.5
87.08088	2.3
87.37196	0.7
90.05553	100.0
91.05428	1.1
95.04971	6.5
96.08120	3.0
98.02410	15.3
98.97568	0.9
100.03962	2.7
103.03932	1.5
103.07577	8.0
105.07006	0.9
113.05999	2.3
116.03446	17.3
119.08585	1.0
121.06455	0.9
124.07590	20.7
131.07034	0.9
142.08656	9.0
145.10075	1.4
156.10168	1.3
158.11917	0.8
160.03249	0.9
160.09708	2.0
164.62131	0.8
166.08647	2.1
174.11259	2.6
177.12762	1.5
184.09689	17.9
184.11325	1.0
202.10735	26.1
204.14659	2.7
205.15883	13.2
207.81468	0.8
220.11768	19.6
220.17792	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38911	0.8
55.01857	0.9
55.05506	1.0
56.01387	0.9
57.07074	7.8
59.05006	5.9
66.35625	0.7
67.05501	7.3
68.19359	0.8
69.07067	6.6
69.84106	0.7
70.02967	9.3
72.04515	14.7
73.02914	2.9
74.02424	2.0
81.07065	1.8
83.04951	1.0
84.08112	0.8
85.06542	11.4
86.09694	1.6
87.08073	1.9
89.28861	0.6
90.05551	100.0
91.05437	0.8
95.04967	7.2
96.08157	2.2
97.02886	0.8
98.02415	13.6
99.98056	0.8
100.03991	3.2
103.07569	7.1
105.07050	1.1
113.06019	3.5
116.03450	16.2
121.06486	0.8
122.89993	0.7
124.07590	18.9
128.04933	0.9
130.06529	9.0
131.07027	1.3
132.04442	5.1
134.10370	0.9
142.08614	8.1
145.10097	1.1
146.05991	12.0
147.04454	1.2
147.06374	1.6
157.07625	2.7
158.06020	10.4
160.09726	2.8
162.05490	1.2
166.08673	2.1
174.11270	2.9
175.08679	11.8
177.12671	1.6
178.05124	0.9
184.09682	19.2
202.10739	22.5
204.06590	1.1
204.14714	2.8
205.15877	12.7
217.47403	0.8
220.08199	0.8
220.11792	18.8
220.17781	12.8
221.04611	1.2
221.09227	1.7
238.92523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Marsupellone
Peak:m/z	Relative Intensity
55.01869	0.5
55.05511	4.0
56.96578	2.1
57.07061	1.2
65.03952	0.7
67.05180	0.6
67.05503	5.9
69.03408	0.8
69.07068	3.8
70.96503	0.9
70.96844	0.7
71.04980	0.4
77.00890	1.4
77.43222	0.4
79.05493	8.1
81.06589	0.6
81.07057	8.3
83.04977	0.9
83.08609	1.0
91.05479	9.6
93.07048	7.3
95.01940	0.6
95.04980	2.2
95.08620	3.9
97.06538	0.8
97.10168	1.0
99.08063	0.7
103.05487	0.6
105.07037	7.2
107.04940	1.2
107.08598	4.9
109.06501	1.3
109.10139	1.6
111.08022	0.5
115.05434	0.5
117.07024	3.2
119.04927	0.8
119.08583	10.8
121.06496	2.1
121.10143	12.8
121.20506	0.5
123.08047	2.1
128.06232	0.4
129.07010	1.1
129.10464	0.5
130.07840	0.5
131.08560	7.2
133.06448	0.6
133.07449	0.5
133.10139	9.6
135.08052	1.0
135.11693	2.8
137.09593	1.2
142.07790	0.5
143.08528	0.8
145.06464	0.5
145.10120	4.9
147.08061	1.3
147.11717	2.1
149.05969	1.8
149.09615	0.8
155.08543	0.5
157.10133	1.1
159.08034	1.2
159.11690	3.0
160.12386	0.8
161.09631	2.4
161.13242	4.7
163.07524	0.9
163.11188	0.7
170.10883	1.3
172.94206	1.0
173.06584	0.8
173.09590	1.5
173.13232	1.2
175.14859	1.8
177.09071	0.6
185.13249	0.9
187.11169	2.0
188.12041	2.0
190.95197	2.5
191.07648	1.9
191.10724	0.6
196.08224	1.0
201.12788	0.5
201.16374	3.6
203.14320	36.2
204.14676	1.3
205.15880	3.0
213.96960	0.8
214.09236	1.3
219.10167	1.7
219.17442	100.0
220.17859	3.5
235.82512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.9
55.05492	3.4
56.96565	1.1
57.03420	1.1
57.07055	1.1
62.06068	0.9
65.03931	0.9
66.51702	0.9
67.05486	3.7
69.03420	1.7
69.07053	3.3
70.82011	1.8
70.82362	1.9
71.04954	1.0
79.05492	5.9
81.03397	1.0
81.07054	4.7
83.04962	1.7
85.02933	0.9
91.05480	11.7
93.07052	5.8
95.04947	3.3
95.08577	2.7
97.06523	1.1
98.97556	1.3
103.05455	3.7
105.07013	6.7
107.04899	2.2
107.08566	4.9
109.06516	2.1
109.10107	1.4
115.05469	7.1
116.06223	3.6
116.98615	1.9
117.07029	4.9
119.08558	10.1
120.08112	2.1
121.06525	1.3
121.10162	7.6
123.08087	2.3
128.06218	7.1
129.07002	25.1
130.04137	0.9
130.06526	6.3
130.07768	2.1
131.04919	6.8
131.08562	24.0
132.05690	1.3
133.06430	1.8
133.10124	11.0
134.99663	1.1
135.08047	2.9
135.11667	1.9
137.05966	2.4
140.06398	0.8
141.05981	1.4
141.06993	19.1
142.07816	1.5
143.04913	1.3
143.08533	3.4
144.05682	4.0
145.06512	6.2
145.10112	5.8
146.07222	3.2
147.08032	2.5
147.11662	3.4
149.05901	1.1
149.09474	1.0
157.06467	10.4
157.07587	1.5
157.10085	1.6
158.07275	11.2
159.04390	2.9
159.08055	15.3
159.11681	4.0
160.05188	3.4
161.05951	3.1
161.09613	5.2
161.13300	4.6
162.06795	0.9
163.07523	1.9
163.11156	1.1
169.06453	7.7
170.07245	3.8
170.10942	1.0
173.05968	4.4
173.09619	3.2
173.13190	1.8
174.06764	41.0
175.07498	7.9
175.14816	2.7
177.09111	1.4
178.04926	1.4
185.13199	1.1
186.06741	8.6
187.07574	1.7
187.11174	2.1
188.08287	2.5
188.11885	1.3
189.09103	41.5
190.06259	2.8
191.06944	2.2
191.10635	3.3
201.05417	2.6
201.09105	19.8
202.09444	1.2
203.14302	34.6
205.15709	1.1
219.02866	1.2
219.06572	2.4
219.08107	2.1
219.10164	34.9
219.13828	5.0
219.17426	100.0
220.17860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
55.05508	13.5
55.73439	1.5
56.71627	1.4
57.03423	1.9
60.27420	1.1
65.03915	2.0
67.05504	10.2
68.99811	1.4
69.07062	7.0
71.04996	10.9
71.57940	1.2
71.79556	1.0
74.55830	1.1
79.05488	8.7
81.07055	12.8
81.28199	1.2
83.04967	4.4
83.08611	1.8
91.05480	34.5
93.07047	14.6
93.89532	1.4
95.04955	4.3
95.08597	9.5
97.06557	2.7
98.97569	1.6
99.04440	1.5
103.05460	7.2
105.07021	40.3
105.50958	1.4
107.08596	14.3
109.06519	5.3
109.10142	7.4
111.08064	1.6
115.05449	16.7
116.06236	5.3
117.06994	11.9
119.08587	19.1
121.06486	3.3
121.10146	23.2
123.08059	4.0
125.09629	2.4
128.06227	14.5
129.07004	55.9
130.07819	6.9
131.04929	12.2
131.08565	62.8
133.06477	2.4
133.10127	74.2
135.08038	4.3
135.11670	5.6
137.05986	6.0
137.09593	2.6
141.06984	43.5
143.04982	2.2
143.08562	5.1
144.05705	8.1
144.09286	1.4
145.06480	13.6
145.09033	2.4
145.10123	28.7
146.07251	6.1
147.08017	2.4
147.11684	15.0
149.06018	2.2
149.09599	1.8
149.13283	2.3
153.25397	1.5
157.06491	28.3
157.10143	2.6
158.07266	26.8
158.10881	1.9
159.04437	6.0
159.08051	33.5
159.11685	17.9
160.05220	6.9
160.08662	1.4
161.05943	1.8
161.09642	8.9
161.13246	10.2
163.03923	1.8
163.07506	3.7
163.11156	5.9
168.05740	1.6
169.06454	17.3
170.07275	7.1
173.06003	5.3
173.09630	2.4
173.13252	7.0
174.06764	88.4
175.07526	12.7
175.14783	2.4
176.04730	1.5
177.12778	3.3
186.06752	23.9
187.02200	1.4
188.08307	4.6
189.09102	100.0
190.09451	2.9
191.07016	2.7
191.10666	7.2
201.09106	40.9
201.12863	1.5
201.16365	12.4
203.14313	23.6
219.06680	2.1
219.10168	85.0
219.13823	6.0
219.17429	84.3
219.19627	2.9
220.10359	2.8
220.17929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05486	4.1
56.96542	1.7
57.03431	2.1
67.05490	4.3
69.03413	2.4
69.07079	5.3
70.54663	4.6
70.55013	1.7
71.04989	2.5
76.90583	1.1
79.05473	3.3
81.07055	7.7
81.21620	1.0
83.04948	2.6
85.02872	1.6
86.09683	1.6
91.05480	19.6
93.07041	8.8
95.04966	2.8
95.08604	5.9
97.06492	1.3
103.05437	4.4
105.07022	20.7
107.04949	1.3
107.08592	6.8
109.06514	2.4
109.10145	3.6
111.04418	1.3
115.05447	14.2
116.06232	4.4
117.07004	8.6
119.08580	13.0
120.08108	1.8
121.02832	4.0
121.06486	3.6
121.10126	9.1
123.08083	1.6
128.06219	14.7
129.06999	54.3
130.07741	2.6
131.04900	11.3
131.08557	47.9
132.08873	1.2
133.06467	1.8
133.10118	20.3
135.08031	2.7
135.11641	2.0
137.05951	6.2
141.06979	46.3
143.04900	2.8
143.08533	4.2
144.05679	5.5
145.06479	13.0
145.10121	7.3
146.07262	7.4
147.04398	1.5
147.08046	1.5
147.11632	5.5
148.05154	1.8
149.09647	2.2
153.07036	1.8
157.06476	25.0
158.07262	27.8
159.04416	5.0
159.08047	30.8
159.11678	8.8
160.05186	7.6
161.05939	3.0
161.09602	5.2
161.13249	5.0
162.06755	1.5
163.07491	3.0
168.05653	1.8
169.06470	14.8
169.07661	1.8
170.07257	9.0
171.08025	1.7
173.05943	7.7
173.09612	2.6
173.13239	2.0
174.06754	87.6
175.07503	14.8
175.14819	2.4
177.09047	2.1
185.05896	1.4
186.06746	21.5
187.03946	1.4
187.07547	3.3
188.08321	5.8
189.09093	100.0
190.09433	5.0
191.06976	2.4
191.10648	7.1
197.01225	2.5
201.09088	42.0
201.16435	6.5
203.14285	20.3
219.10152	75.0
219.13806	3.4
219.17427	63.0
220.10503	2.8
227.02341	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.4
55.05499	2.7
56.96558	2.8
61.02921	19.0
67.05486	2.4
69.07059	2.1
69.97176	2.4
69.97575	2.7
71.00961	2.3
71.01348	32.1
75.04478	51.6
79.05489	3.0
81.07038	3.7
87.04471	19.1
89.02394	7.9
90.05569	1.3
91.05483	3.6
93.07025	2.9
98.20798	1.4
98.97559	2.7
103.03934	57.5
105.07021	3.3
107.08581	2.1
116.98653	2.2
117.06979	1.9
119.08585	8.5
121.10161	7.7
129.06972	1.5
131.03384	13.3
131.04976	1.3
131.08482	1.5
133.06506	1.4
133.10138	7.0
134.99664	2.0
135.11682	2.4
143.08548	1.4
145.06480	1.4
145.10069	2.1
147.11665	1.8
159.02882	81.9
161.09569	2.2
161.13235	4.7
170.10884	1.4
173.09608	1.7
175.14842	1.5
187.02322	7.6
188.11919	2.2
203.14310	36.4
219.04884	5.8
219.10207	2.0
219.17427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
54.00529	1.5
55.05495	6.3
57.03436	1.4
67.05491	6.2
69.03407	1.6
69.07053	5.7
69.36186	12.9
71.04970	5.7
79.05483	7.0
81.07045	10.7
81.47147	1.3
83.04931	1.6
91.05479	19.7
93.07039	11.3
95.04968	3.6
95.08600	9.5
97.06519	2.4
98.97546	1.6
99.14497	1.3
103.05460	1.9
105.07026	24.1
107.08591	10.8
109.06514	3.3
109.10137	4.7
115.05489	8.0
116.06216	2.2
117.07004	6.7
119.04918	1.4
119.08564	15.0
119.17512	1.3
121.06473	2.8
121.10127	11.2
122.08049	1.5
123.08064	4.0
125.09624	3.6
128.06218	9.4
129.06999	27.8
131.04903	6.6
131.08562	33.5
133.06480	3.3
133.10112	32.4
135.08096	3.1
135.11674	3.7
137.05968	3.7
141.06993	25.8
143.08539	2.3
144.05653	6.3
145.06505	9.4
145.10135	9.5
146.07269	3.4
147.11673	6.8
149.06027	2.5
149.09616	3.8
157.06487	15.1
157.10074	2.0
158.07281	16.3
159.02090	2.4
159.04427	3.0
159.08043	21.9
159.11673	11.8
160.05173	3.1
161.09618	4.9
161.13264	9.6
163.07549	2.6
163.11188	3.1
169.06467	8.9
170.07272	3.3
171.11719	1.7
173.05977	1.9
173.09631	1.9
173.13248	7.1
174.06763	50.3
175.07579	9.3
175.14795	3.8
186.06755	9.5
187.07547	4.1
187.11162	2.5
188.08340	2.4
188.11990	1.9
189.09105	57.1
191.07079	1.6
191.10597	5.4
191.14288	2.1
191.84262	1.5
201.09091	26.0
201.16380	8.6
203.14316	28.6
205.15863	1.7
219.05707	6.4
219.08315	1.1
219.10170	47.9
219.13776	10.3
219.17419	100.0
220.17834	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13056	11.1
56.17968	11.3
57.17543	10.3
61.31854	11.0
62.04726	11.4
69.46089	100.0
94.06547	34.9
144.81099	11.5
161.62904	11.4
219.17429	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.05495	2.2
56.96566	1.6
57.07074	1.1
59.04997	1.4
61.02927	10.9
67.05490	2.5
69.03419	1.2
69.07061	2.7
69.75607	4.0
70.95069	0.8
71.01353	18.6
72.04501	0.8
74.15759	0.6
75.04478	26.4
79.05470	2.5
81.07050	3.4
85.02877	1.6
87.04462	9.9
89.02386	3.6
90.05562	4.3
91.05472	2.3
93.07033	4.0
95.04977	1.7
95.08601	0.8
97.02899	1.0
98.97572	2.5
103.03941	27.3
103.05435	0.9
105.06999	4.0
107.08573	3.1
109.06499	1.2
116.03458	0.7
116.98617	2.8
117.06974	1.3
119.08579	7.4
121.10148	8.4
123.08136	1.2
124.07568	1.6
130.06526	1.8
131.03415	5.8
131.05084	0.9
131.06049	3.1
131.08562	1.8
133.10143	7.8
134.09613	0.8
134.99661	1.4
135.08034	1.3
135.11736	0.8
143.08504	1.0
145.05173	0.8
145.06445	1.7
145.07513	0.8
145.10107	2.0
146.06017	11.8
147.08080	1.3
147.11665	1.6
158.05991	1.0
159.02887	35.6
161.09610	2.0
161.13258	5.6
162.26457	0.9
163.03963	0.9
163.11203	0.7
170.10835	1.4
173.07095	5.2
173.09613	1.6
173.13251	1.1
175.08591	1.4
175.14824	2.1
187.02432	5.4
187.11128	2.7
188.11964	2.0
203.14304	37.3
219.04921	2.0
219.07841	5.2
219.17427	100.0
220.11681	0.9
222.16125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.05499	2.2
56.05019	2.9
56.96553	1.8
57.03422	1.1
60.04520	8.7
62.36179	1.1
64.15578	1.0
67.05498	3.0
68.05023	3.3
69.03422	1.5
69.07037	1.2
69.69578	2.0
69.69978	4.9
70.06585	2.7
71.04985	2.6
71.07258	1.0
71.25198	1.0
72.04514	1.4
72.08144	4.4
73.08492	1.1
78.87615	1.1
79.05476	4.3
80.05000	1.6
81.03429	1.4
81.07043	3.6
82.06557	2.7
84.04478	1.7
84.08129	4.5
85.02889	3.0
85.06529	1.2
86.06046	1.4
86.09705	1.7
87.04484	1.3
91.05463	2.1
93.07045	5.6
94.06545	1.6
95.04942	2.1
95.07328	1.0
95.08601	4.3
96.08118	3.8
98.06037	5.2
98.97570	3.6
105.07017	1.9
108.08109	3.5
110.09685	8.8
111.04463	1.0
112.07612	2.7
114.09165	3.5
116.98632	1.6
119.08575	3.1
120.08085	3.0
121.06451	1.4
122.09659	1.5
124.11221	3.7
124.99049	1.2
128.07080	1.3
134.99652	1.8
136.11209	5.0
137.09610	1.2
138.09138	26.4
139.07523	1.9
146.08078	2.4
146.09627	1.9
146.99670	1.2
147.08005	1.8
152.10721	15.4
153.09085	1.3
154.08601	1.1
154.12254	3.0
156.06497	1.2
156.10182	11.1
158.08118	4.5
163.03976	1.5
164.10712	12.2
165.09076	1.8
170.11760	1.6
172.06099	1.6
174.11243	1.5
182.11777	33.3
186.13892	1.1
200.12819	24.6
218.10344	3.2
218.13869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
50.92660	1.4
53.03941	5.9
55.01865	5.4
55.05507	21.3
59.04968	1.5
63.68943	1.3
65.03934	2.8
67.05499	11.8
67.24865	1.5
69.03420	5.8
69.07053	1.6
69.36996	6.0
69.37421	8.3
71.05000	2.2
73.02916	1.6
79.05492	40.9
81.07053	64.2
83.04980	31.5
83.08622	2.3
85.02892	1.5
85.06569	3.3
87.04470	3.0
88.11253	1.7
89.02386	3.6
89.06046	2.8
91.05487	19.9
93.07040	19.0
95.04974	10.1
95.08592	5.8
95.28915	1.3
97.06529	6.9
99.04484	2.3
101.05998	8.2
103.05435	3.0
105.07018	25.3
107.04948	5.3
107.08573	7.2
109.06511	32.2
109.10106	1.7
110.25450	1.4
111.04434	29.0
111.08092	2.4
113.05994	4.3
113.11044	1.3
115.05434	3.9
117.06995	6.2
119.04928	1.5
119.08582	12.8
121.06503	100.0
121.10145	3.2
123.08083	5.0
127.07546	23.8
128.06201	7.0
129.05489	11.3
129.07005	14.2
130.07829	2.0
131.08551	8.8
133.06480	7.0
133.10109	8.6
135.04414	6.9
135.08099	7.2
137.05980	4.8
139.07550	1.6
141.06981	4.2
142.07785	13.3
143.08557	15.7
145.06488	5.1
145.10106	8.3
147.08026	7.5
147.11703	8.6
155.07048	42.8
155.08488	5.6
156.05740	8.4
156.09364	9.0
157.06508	2.2
157.10123	24.9
158.07300	2.3
159.08023	2.9
159.11679	4.2
160.05147	3.5
161.05951	8.1
161.09627	4.5
161.13269	3.9
165.07001	3.0
166.07796	7.0
167.03380	1.5
169.06447	1.7
171.08076	3.2
171.11681	24.6
173.08101	15.6
173.09660	4.2
173.13312	2.5
175.07553	1.8
175.11197	15.6
181.10109	7.2
183.08081	1.7
184.08807	3.2
189.09120	6.1
189.12772	12.6
193.04518	1.4
199.09497	3.2
199.11194	34.8
199.14856	4.1
217.08601	9.5
217.10652	7.7
217.12354	44.7
217.15802	5.3
217.19514	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1387
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
55.01865	1.5
55.05496	1.7
56.00365	0.6
56.05031	4.3
56.96550	2.3
57.03433	0.8
60.04524	11.0
67.05491	3.4
68.05014	2.3
69.03414	2.1
69.07055	1.9
70.02618	3.5
70.06213	0.7
70.06581	2.9
71.04981	2.1
72.04498	1.9
73.02901	1.0
74.06042	1.2
79.05492	6.1
80.05013	1.5
81.07061	4.6
82.06586	3.6
83.05014	1.4
84.04498	0.8
84.08134	2.6
85.02873	1.0
85.06516	0.7
86.04961	0.8
86.06052	1.1
86.09703	4.7
91.05463	3.7
93.07033	6.9
94.06579	1.3
95.04957	2.1
95.08592	5.4
96.08121	5.4
97.06519	2.7
98.06026	3.7
98.09672	0.9
98.97544	4.3
105.07022	2.2
107.08565	1.2
107.53389	0.6
108.08111	2.9
109.06512	1.4
110.09664	8.7
112.07590	0.7
114.09157	2.7
116.07148	0.8
116.98630	2.6
117.07016	0.8
119.01891	1.0
119.08559	4.4
120.08098	4.1
121.06504	0.8
122.09640	2.0
124.11234	2.9
128.51956	0.7
128.98592	0.9
130.08644	1.3
131.00194	0.9
132.56964	0.8
134.09657	1.3
134.99622	1.3
135.08057	1.3
136.11206	7.0
137.09590	0.9
138.09135	30.2
139.07539	2.0
140.10741	0.9
146.08105	10.4
146.09381	0.9
146.09642	0.8
147.08015	1.4
148.03929	0.7
152.10703	20.9
153.09100	1.0
154.12263	2.6
156.10187	12.3
164.10704	16.4
165.09146	1.3
170.11684	1.9
177.00731	0.8
182.11758	36.5
187.06387	0.8
200.12816	28.7
217.93880	0.9
218.13867	100.0
219.14215	2.5
233.78674	0.8
235.61623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
53.03952	5.5
55.01860	3.9
55.05265	2.0
55.05508	23.2
59.05002	1.4
65.03933	3.4
67.05504	11.6
69.03428	6.1
69.07056	2.7
69.29318	11.6
71.01350	1.1
71.04970	1.3
79.05489	35.1
81.07053	64.8
83.04978	31.6
83.08601	2.4
85.06544	2.0
87.04456	3.6
89.02393	3.2
89.06022	3.3
91.05477	20.5
93.07040	21.4
95.04974	10.8
95.08589	2.9
96.23643	1.1
97.05972	1.2
97.06520	6.3
99.04456	5.4
100.01427	1.3
101.06023	7.4
103.05466	3.1
105.07029	23.5
107.04950	6.7
107.08607	5.8
109.06509	38.4
111.03707	1.9
111.04436	28.3
111.08099	2.0
113.05992	4.7
115.05449	3.8
117.07017	3.7
119.04928	2.3
119.08573	13.5
121.06499	100.0
121.10107	1.6
123.08052	4.7
125.05928	1.1
127.07550	24.5
128.06223	7.9
129.05481	10.0
129.06998	12.7
131.08521	8.0
133.06511	6.0
133.10172	7.3
135.04434	6.5
135.08041	7.0
137.05994	3.9
141.06940	3.3
142.07755	11.8
143.08566	14.4
145.06487	3.0
145.10110	5.6
147.04425	1.8
147.08051	7.7
147.11671	8.8
149.05916	1.3
153.06927	1.3
155.05765	2.3
155.07030	46.5
155.08434	3.1
156.05692	5.1
156.09343	9.8
157.06461	4.6
157.10129	22.2
159.08026	4.1
159.11661	2.8
161.05983	4.3
161.09669	3.1
161.13266	3.3
165.06981	3.3
166.07747	7.1
169.10089	1.5
171.08075	3.5
171.11664	25.7
173.08095	16.5
173.09642	3.9
173.13289	1.4
175.07611	1.8
175.11180	14.6
181.10118	7.8
184.08804	4.4
189.09164	1.8
189.12724	11.4
199.07483	1.9
199.11176	35.1
199.14853	2.0
215.22954	1.0
217.08554	5.9
217.10611	10.9
217.12256	41.7
217.15829	5.6
217.19417	1.5
218.12650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0859
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
53.61786	0.5
55.01870	0.8
55.05508	11.0
59.04977	1.1
67.05486	1.9
69.03416	2.1
69.07051	1.1
69.53236	4.5
73.02900	0.9
79.05470	2.0
81.07048	3.8
83.04976	14.2
83.08602	0.7
85.06529	0.7
87.04446	1.7
89.02378	1.2
89.06010	1.8
91.05442	2.5
93.07021	1.8
95.04982	0.8
95.08578	2.0
98.21467	1.1
99.04439	1.1
101.06022	5.1
104.06214	2.8
105.07023	3.9
107.08581	1.6
109.06476	1.2
109.10124	0.8
111.04439	14.1
113.05986	2.6
115.05437	1.5
117.07007	1.0
119.08594	2.6
120.87691	0.5
121.06490	1.5
121.10155	0.9
123.08052	0.6
127.07568	3.7
128.06216	32.3
129.05498	5.2
129.06955	1.6
131.04933	3.0
131.08572	1.5
133.10104	1.3
135.08000	0.7
135.46925	0.5
142.07777	0.7
143.04968	0.7
143.08528	1.6
144.05670	1.8
145.06458	2.0
145.10092	1.2
147.11688	1.3
152.58626	0.6
155.05067	1.0
155.07024	23.9
156.05692	100.0
157.06387	2.5
157.10106	1.0
159.04396	1.7
159.11668	1.1
160.05225	0.9
161.03027	0.6
161.05948	0.8
161.09575	0.6
161.13283	0.9
171.04454	0.7
171.08020	0.6
171.11668	1.6
172.05058	0.7
173.05974	6.6
173.08093	9.8
173.09561	0.8
174.06752	3.3
175.07565	0.9
175.11122	1.1
184.05171	11.0
186.06738	1.2
187.03896	1.0
187.07552	1.0
189.05574	0.8
189.09119	1.0
189.12820	0.7
199.07680	0.9
199.09506	1.1
199.11232	1.3
199.14790	1.0
201.05449	1.1
202.04782	0.4
202.06238	24.9
217.08615	80.5
217.10635	7.3
217.15727	2.6
217.19414	1.4
218.08980	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
53.03947	4.1
54.93036	1.0
55.01870	4.4
55.05508	47.5
56.05043	1.2
57.07074	1.8
59.05001	4.1
65.03938	4.0
67.05504	14.8
69.03437	7.1
69.07063	4.9
70.06600	1.6
71.04993	2.4
71.57752	1.6
73.02914	4.8
77.77468	1.0
79.05486	30.5
81.03419	1.3
81.07057	52.8
81.45211	1.1
83.04982	67.9
83.08617	4.2
85.02966	1.2
85.06541	3.8
87.04465	9.8
89.02374	5.7
89.06040	5.1
91.05485	19.1
93.07043	21.0
95.04962	9.7
95.08588	6.2
97.06534	7.5
98.97585	1.3
99.04457	5.4
101.06011	19.3
103.05449	3.2
104.06238	1.1
105.04499	1.3
105.07031	26.9
105.07690	2.2
106.65941	1.0
107.04944	5.5
107.08589	8.9
109.06514	29.7
109.10149	3.1
111.04439	64.1
111.08099	3.2
113.06004	12.4
115.05461	3.1
117.07011	6.2
119.04962	2.1
119.08582	17.1
121.06503	69.5
121.10117	3.7
123.04419	1.3
123.08050	4.4
125.05858	1.4
127.07555	27.6
128.06226	12.0
129.05486	26.6
129.06981	16.4
131.04938	1.4
131.08566	12.0
133.06497	6.5
133.10126	13.3
135.04425	4.4
135.08034	6.3
135.11653	1.5
137.06000	5.7
141.06992	4.2
142.07782	13.0
143.08551	15.8
144.09309	1.4
145.06522	2.9
145.10114	11.3
147.06561	1.4
147.08070	5.7
147.11674	7.7
153.07074	1.9
155.07030	100.0
155.08408	4.9
156.05721	11.2
156.07401	2.4
156.09332	9.8
157.06529	2.6
157.10121	31.1
158.07408	1.3
159.08055	5.6
159.11719	7.3
160.08876	1.9
161.05975	4.1
161.09619	7.8
161.13254	4.4
165.06995	2.4
166.07777	5.0
169.06372	1.2
171.08054	2.1
171.11688	22.2
173.05930	1.6
173.08115	39.7
173.09598	3.8
173.13243	3.3
175.07542	3.0
175.11159	16.0
175.14828	2.7
181.10112	6.3
184.08873	3.3
189.09134	3.1
189.12724	9.5
189.16368	1.9
199.07777	2.0
199.09634	4.0
199.11235	25.9
199.14760	6.1
202.06325	3.0
217.05077	1.9
217.08629	11.5
217.10677	24.1
217.12306	29.8
217.15759	17.9
217.19366	1.3
218.12631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0702
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
55.01873	3.6
55.05497	0.9
56.96553	1.0
62.83413	0.6
67.05486	1.3
67.92262	0.6
68.99773	0.9
69.07057	0.9
70.84101	1.9
72.93771	1.1
74.09716	0.8
79.05477	0.9
79.72078	0.6
81.07044	1.7
88.07627	2.2
89.07970	1.1
91.05475	10.3
93.07037	1.4
95.04990	0.8
95.08591	2.1
103.05453	1.8
105.07013	2.5
107.08608	0.6
109.10136	0.8
115.05453	18.8
116.06248	1.1
117.07017	11.1
119.08562	2.1
121.10151	1.0
127.05524	0.7
128.06207	2.6
129.06985	4.2
131.04906	2.1
131.08568	14.6
132.95825	1.1
133.10078	1.5
141.06989	72.6
142.07353	1.6
143.08517	1.2
144.05750	4.4
144.09320	1.1
145.06485	5.0
145.10150	4.7
147.11716	1.1
150.96912	6.3
155.04930	2.0
155.06036	0.8
155.08607	1.2
157.06511	0.6
157.10138	1.3
159.04375	1.3
159.08057	5.5
159.11681	5.8
162.14481	0.6
167.97185	0.7
168.05688	0.8
169.06488	28.6
169.10112	1.7
170.07211	2.7
171.11685	0.8
173.05986	36.8
173.09521	1.1
173.13266	2.4
185.06001	0.9
186.06754	0.7
187.07542	20.0
187.11163	1.1
187.14893	0.7
191.97112	0.7
197.05986	31.2
197.09700	1.1
198.06424	1.1
200.04788	1.0
204.47223	0.6
205.08496	0.6
209.98271	1.5
215.07022	100.0
215.10504	2.7
215.14299	2.9
215.17921	6.8
216.07378	2.5
221.89389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
57.07076	0.8
67.05505	5.4
69.07053	2.4
71.58647	1.2
79.05495	3.7
81.07055	11.2
83.08612	1.2
91.05485	8.2
93.07042	10.2
95.04951	1.6
95.08074	0.7
95.08611	8.5
96.89748	0.8
105.07031	27.0
107.08585	10.1
109.10172	3.8
115.05450	2.2
116.06189	1.0
117.07024	8.0
119.08580	20.6
120.08884	0.9
121.10144	8.6
123.11713	2.2
128.06224	1.3
129.07013	3.3
130.07773	1.8
131.08566	30.6
133.10147	6.2
135.11649	0.8
140.59662	0.6
141.06964	0.8
142.07802	1.6
143.08530	2.6
144.09338	7.1
145.06503	1.1
145.10118	29.4
146.10750	0.7
147.11690	3.8
150.96936	1.9
157.10161	4.5
158.10896	1.6
159.08136	1.6
159.11688	100.0
160.12123	3.5
169.10123	1.0
171.11659	1.4
172.12419	0.7
173.09602	1.3
173.13278	14.2
174.13744	1.0
187.11140	1.0
187.14795	3.6
197.13208	1.2
215.07065	2.5
215.10802	1.7
215.14365	5.3
215.17955	57.5
216.18303	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.07
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
55.01866	3.8
55.05500	0.9
56.94927	0.5
56.96547	1.6
57.96371	0.5
60.11273	0.5
67.05505	1.6
68.99790	0.8
69.03416	0.7
69.07056	0.9
71.01344	0.7
72.93774	1.2
74.09708	1.4
79.05490	2.0
81.07041	1.7
90.94812	0.7
91.04900	0.9
91.05471	16.5
93.07017	1.2
95.04945	1.0
95.08591	1.8
103.05441	1.1
105.03389	0.7
105.07020	3.7
107.04890	0.5
107.08610	1.5
115.05441	18.1
116.06227	2.0
117.07006	9.7
119.08549	2.2
121.06479	0.8
121.10141	0.8
125.95949	0.5
127.05367	0.5
128.06197	3.4
129.06984	5.3
131.04901	3.1
131.08543	15.7
132.95850	0.8
133.06509	1.3
133.10117	0.7
135.08014	0.7
141.06975	74.4
142.04639	0.5
142.07347	1.6
143.08543	1.9
144.05675	4.0
145.06470	6.4
145.10092	3.5
150.96880	8.1
154.07741	1.0
155.04889	2.1
155.06035	0.6
155.08527	1.4
157.10141	1.0
158.07352	0.7
159.04410	1.7
159.08040	7.3
159.11670	4.0
160.05197	0.8
161.05975	1.2
167.97191	1.0
168.05745	0.9
169.06467	27.7
169.10123	1.7
170.07225	1.9
171.11626	0.7
172.05136	0.9
173.05969	42.3
173.09343	1.1
173.13260	1.4
174.06311	1.0
179.08466	0.7
180.06810	0.6
181.30148	0.5
182.07236	0.6
182.10909	0.7
183.04384	0.8
185.05916	1.3
186.06732	1.1
187.07526	20.9
187.11125	2.0
187.14806	0.7
188.07870	0.7
191.97153	1.4
197.05957	31.2
197.09550	1.2
197.13261	1.6
198.06445	1.6
200.04666	1.7
204.63451	0.6
205.08650	0.6
209.98210	0.7
215.07004	100.0
215.10536	4.1
215.14113	3.7
215.17900	3.8
216.07365	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03936	4.4
55.01864	6.5
55.05507	24.5
56.96338	1.6
56.96565	19.8
57.03425	5.3
57.07067	5.7
57.27935	1.7
59.04995	8.7
61.02910	2.1
62.63145	1.6
67.05505	15.6
69.03412	10.0
69.07064	36.0
70.06590	18.0
70.35187	6.2
71.05003	18.4
72.08136	4.0
73.02900	2.5
79.05482	18.6
81.03396	6.2
81.07053	41.3
82.06564	2.0
83.04974	9.1
83.08615	17.7
84.95995	2.0
85.02892	6.9
85.06560	8.3
87.00815	1.9
91.05479	14.6
93.07056	33.2
94.06567	5.3
95.04967	7.5
95.06889	1.7
95.08601	56.7
97.02873	5.5
97.06527	6.5
97.10159	11.5
98.97575	14.0
99.04444	4.1
99.08088	46.4
99.45002	1.9
103.05467	4.2
105.07018	13.0
107.04954	17.5
107.08585	57.1
109.02865	8.8
109.06514	6.5
109.10165	19.0
110.03601	2.3
111.04442	3.7
111.08072	27.3
111.11723	3.2
113.09631	13.5
115.05473	2.2
116.98625	18.1
117.07003	5.2
119.06062	4.8
119.08591	13.2
120.06448	3.5
121.06518	3.1
121.10141	86.0
123.04368	2.0
123.08054	4.8
123.11694	3.3
124.11311	1.8
125.05990	3.5
125.09605	10.2
126.09874	1.7
127.03915	8.6
128.06207	5.7
128.98633	3.3
129.06981	11.6
131.08554	7.2
133.10133	3.8
134.99677	14.5
135.08043	7.5
135.11705	18.5
136.07491	1.9
137.05927	3.3
137.09628	2.5
137.13274	10.8
137.53342	1.6
139.07524	8.5
139.11134	2.7
140.07042	5.2
141.06975	5.9
141.09119	2.8
142.07796	11.5
143.08546	11.9
145.06496	2.4
145.10109	5.1
146.99625	4.5
147.08073	1.7
147.11696	2.3
149.09624	2.6
149.13254	8.3
151.03976	2.1
153.09071	2.0
153.12743	6.4
155.08501	3.5
156.09329	4.5
157.06531	2.5
157.10141	20.1
158.99603	1.8
159.11690	4.0
163.07527	6.8
165.06998	2.3
167.07045	24.0
169.10112	2.2
171.08023	2.7
171.11714	15.3
177.00731	7.9
177.12932	3.6
177.16386	100.0
183.11682	2.3
185.09647	4.0
185.13202	4.6
195.06413	3.5
195.08026	3.5
195.10167	3.9
195.11757	2.2
195.13821	4.1
195.17497	10.9
196.13312	7.2
198.10431	3.3
213.05470	5.9
213.09096	7.4
213.12729	12.5
213.16393	27.1
213.18492	9.1
213.75867	1.7
214.03873	6.7
214.14445	6.4
222.96643	1.8
232.04955	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03936	11.5
55.01862	9.7
55.05511	47.8
55.28735	3.1
56.96554	5.1
57.07062	8.9
59.04974	5.5
67.05505	30.9
69.03418	9.1
69.07065	77.8
70.06578	11.5
70.50490	8.4
70.50854	7.3
71.04973	17.9
73.32777	4.0
79.05491	27.3
81.03419	15.4
81.07050	69.6
83.04988	6.8
83.08607	18.9
85.02881	5.5
85.06551	18.4
87.00823	2.9
91.05468	14.8
93.07040	52.1
95.04963	10.6
95.08600	83.9
97.06524	7.4
97.10143	18.1
99.04484	3.8
99.08080	34.8
100.11252	3.2
103.05481	3.4
105.07025	23.1
107.04939	8.0
107.08597	67.4
109.02859	8.2
109.10136	39.2
111.08083	18.5
111.11694	5.8
113.09619	8.9
115.05447	4.5
117.07052	5.8
119.08561	7.5
121.06509	5.3
121.10139	100.0
123.04409	12.6
123.08037	6.5
123.11695	7.7
125.05928	4.8
125.09618	11.3
127.03925	17.6
128.06213	8.6
129.06989	10.8
131.08531	15.0
133.10072	3.2
134.99651	3.1
135.11703	30.3
137.13245	25.2
139.11177	5.1
141.05434	4.7
141.06992	8.7
142.07756	13.1
143.08563	16.8
146.81410	3.4
149.09639	21.8
149.13264	4.9
153.05458	8.4
153.12796	3.9
155.08525	3.9
156.09334	10.8
157.10153	21.5
165.06976	5.4
167.07114	3.7
167.08540	5.7
171.07976	4.8
171.11703	12.9
177.09094	8.9
177.14799	5.4
177.16373	92.6
185.09647	7.3
195.08078	6.0
195.10155	7.8
195.17502	15.5
213.03740	4.5
213.05472	12.6
213.09164	16.2
213.12746	8.8
213.16466	25.2
213.18269	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.5
55.01862	9.7
55.05511	47.8
55.28735	3.1
56.96554	5.1
57.07062	8.9
59.04974	5.5
67.05505	30.9
69.03418	9.1
69.07065	77.8
70.06578	11.5
70.50490	8.4
70.50854	7.3
71.04973	17.9
73.32777	4.0
79.05491	27.3
81.03419	15.4
81.07050	69.6
83.04988	6.8
83.08607	18.9
85.02881	5.5
85.06551	18.4
87.00823	2.9
91.05468	14.8
93.07040	52.1
95.04963	10.6
95.08600	83.9
97.06524	7.4
97.10143	18.1
99.04484	3.8
99.08080	34.8
100.11252	3.2
103.05481	3.4
105.07025	23.1
107.04939	8.0
107.08597	67.4
109.02859	8.2
109.10136	39.2
111.08083	18.5
111.11694	5.8
113.09619	8.9
115.05447	4.5
117.07052	5.8
119.08561	7.5
121.06509	5.3
121.10139	100.0
123.04409	12.6
123.08037	6.5
123.11695	7.7
125.05928	4.8
125.09618	11.3
127.03925	17.6
128.06213	8.6
129.06989	10.8
131.08531	15.0
133.10072	3.2
134.99651	3.1
135.11703	30.3
137.13245	25.2
139.11177	5.1
141.05434	4.7
141.06992	8.7
142.07756	13.1
143.08563	16.8
146.81410	3.4
149.09639	21.8
149.13264	4.9
153.05458	8.4
153.12796	3.9
155.08525	3.9
156.09334	10.8
157.10153	21.5
165.06976	5.4
167.07114	3.7
167.08540	5.7
171.07976	4.8
171.11703	12.9
177.09094	8.9
177.14799	5.4
177.16373	92.6
185.09647	7.3
195.08078	6.0
195.10155	7.8
195.17502	15.5
213.03740	4.5
213.05472	12.6
213.09164	16.2
213.12746	8.8
213.16466	25.2
213.18269	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03949	10.2
55.01848	6.2
55.05499	26.9
57.03421	28.3
57.07058	5.7
66.72836	7.0
67.05505	87.9
69.07058	31.0
70.87210	11.7
70.87573	12.6
71.01328	10.0
71.04996	11.5
79.05487	81.8
81.03416	9.1
81.07056	42.2
83.04965	22.8
85.06491	11.0
87.02969	5.9
91.05487	34.8
93.07038	92.8
95.04951	10.3
95.08595	19.6
97.06526	29.1
97.10172	12.0
97.52055	6.9
105.07021	12.6
107.08608	52.2
117.07025	17.2
119.08559	17.2
121.10104	25.1
129.07007	15.2
135.11693	100.0
143.08559	13.7
145.10045	32.7
157.10123	26.0
163.11157	7.5
171.11673	19.5
181.12184	13.3
195.11693	6.2
213.12973	9.3
213.16559	35.2
213.18280	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	6-Hydroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03924	1.6
55.01862	0.9
55.05498	3.3
56.02628	1.3
56.96550	2.7
57.03434	0.8
57.07063	1.8
67.05502	24.4
69.07054	3.4
71.04990	100.0
71.31860	2.3
72.05331	1.5
72.68738	0.8
79.05492	15.7
81.03411	1.1
81.07053	18.2
83.04984	1.8
83.08622	1.4
85.06541	2.8
88.07635	1.4
91.05471	6.9
93.07037	16.1
93.07617	1.0
95.04951	2.1
95.08595	4.2
97.06524	5.3
105.07012	3.2
107.08580	6.9
109.06509	1.7
109.10174	2.2
111.08089	1.2
117.07017	3.7
119.08556	6.2
121.10132	16.3
123.08041	1.2
125.06070	0.8
128.06186	2.1
129.07042	4.5
131.08574	1.3
135.08035	1.0
135.11691	10.2
141.07016	1.1
142.07777	1.3
142.65633	0.8
143.08572	4.2
145.10121	9.7
155.08522	1.1
155.83220	0.9
156.09308	1.1
157.10118	5.8
163.11206	3.9
169.10231	1.3
171.11658	4.2
173.84521	0.9
213.05403	2.1
213.09169	1.0
213.12868	2.3
213.16437	7.6
222.42291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.03916	1.1
53.03928	3.3
55.01870	16.0
55.05508	82.0
57.03420	2.9
57.07057	2.5
59.04966	2.8
67.05503	31.3
69.03422	10.7
69.07069	16.4
70.06562	2.3
71.04990	70.7
72.17154	1.3
79.05489	23.5
81.03397	4.2
81.06599	2.4
81.07051	34.4
83.04948	4.9
83.08616	49.0
85.02903	1.4
85.06553	8.5
87.04454	8.6
91.05481	10.9
93.07037	21.0
95.04958	2.2
95.08599	11.0
97.06522	100.0
97.10165	67.7
98.06858	1.7
98.10486	1.5
98.20692	2.1
98.97584	1.6
99.04419	2.1
101.05978	1.7
101.09595	1.8
105.06976	6.2
107.04915	1.6
107.08584	26.7
109.06478	4.0
109.10158	15.1
111.08055	3.1
117.06968	5.6
119.08578	2.5
121.06487	1.9
121.10091	4.9
123.08049	1.6
125.08779	2.9
125.09623	39.2
126.09916	1.8
127.03880	4.1
128.06148	1.7
129.06993	2.3
131.08508	5.5
133.10091	5.3
135.08008	5.3
135.11630	5.2
139.03885	1.6
141.06967	1.6
142.07782	2.7
143.08508	5.0
147.11652	1.6
149.13214	5.2
155.08511	2.3
157.06543	2.2
157.10110	8.7
159.11617	5.7
171.07954	1.6
171.11620	5.7
177.12703	5.7
183.11584	1.8
185.09554	3.1
189.11270	6.6
195.13794	32.6
213.09091	3.8
213.12891	3.4
213.14786	72.5
213.16342	4.9
214.15172	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	F 11334A1
Peak:m/z	Relative Intensity
53.03938	13.1
55.01865	11.6
55.05513	31.5
56.96560	25.2
57.03435	9.0
61.17131	3.0
65.03931	6.1
67.05487	15.4
68.99789	5.5
69.03432	18.7
69.07053	13.4
70.06589	40.3
71.04990	9.5
71.56698	3.7
71.57039	4.8
79.05491	60.9
81.03421	22.0
81.07056	44.3
83.04974	8.9
85.02908	6.2
86.09656	4.2
88.07633	4.7
91.05479	28.3
93.07043	48.3
95.04970	24.2
95.06107	3.3
95.08615	9.6
97.02884	8.6
97.06538	18.1
97.18327	3.7
98.97573	8.3
99.04461	8.4
103.05464	3.8
105.07034	20.9
107.04951	26.4
107.08573	28.2
109.02847	5.4
109.06496	19.6
109.10126	6.6
111.04453	12.5
116.98602	7.0
119.04958	3.7
119.08572	18.1
121.06509	15.8
121.10143	56.6
122.05998	4.8
123.04447	26.4
123.08070	19.4
123.11685	7.8
125.02365	6.7
125.06004	31.4
125.09595	4.0
127.03909	13.6
129.07007	7.4
131.04979	3.8
131.08545	28.4
133.10164	4.6
134.99632	5.1
135.04399	11.0
135.08060	10.5
137.05959	11.8
139.03914	16.5
139.11172	12.5
140.04678	15.3
140.07056	11.3
141.00020	3.6
141.05467	18.9
142.07739	3.4
146.99622	4.7
148.97279	6.1
149.06001	25.4
149.09615	100.0
151.11220	4.4
153.05450	46.0
155.07042	5.1
157.10101	5.4
161.01178	6.2
163.03925	10.1
165.09122	3.7
167.07047	13.5
167.10693	14.1
177.05513	23.4
177.09106	47.7
185.09679	4.5
189.00662	4.5
195.06439	3.8
195.10147	41.4
198.06552	4.4
213.05493	10.5
213.11150	7.3
214.10725	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03943	8.4
55.01863	9.2
55.05268	2.1
55.05514	33.8
56.96567	10.5
57.03424	5.5
57.07074	2.8
59.04990	2.7
59.06118	1.8
60.53228	1.6
60.95844	2.5
63.89961	1.4
65.03936	7.3
67.05509	17.0
68.99784	2.3
69.03429	15.0
69.07076	8.5
69.85841	10.7
70.06587	23.5
71.04992	8.7
73.02891	2.4
77.03929	2.6
79.05496	52.2
79.10324	1.5
81.03423	9.3
81.03814	1.5
81.07059	46.6
83.04969	6.4
85.02911	3.5
88.07600	3.2
88.95284	1.7
91.05481	39.3
93.03417	1.9
93.07041	48.7
95.04968	23.9
95.08602	12.1
97.02885	6.4
97.06536	16.3
98.97601	2.2
99.04475	8.0
103.05457	2.4
105.04506	1.9
105.07024	31.1
107.04951	25.6
107.08593	35.2
109.02872	5.7
109.06518	19.5
109.10150	5.0
110.03654	2.5
111.04427	5.7
111.08093	2.6
113.05982	2.3
115.05404	2.4
116.06277	2.6
116.07104	4.2
116.98591	2.4
117.07021	2.9
119.04908	5.8
119.08582	21.6
121.02895	5.2
121.06515	14.0
121.10148	60.7
122.06033	2.1
123.04427	23.8
123.08075	13.5
123.11678	6.0
124.05142	1.6
125.02335	5.8
125.05994	26.8
125.09645	2.8
127.03912	9.9
128.06210	1.6
129.07004	4.4
131.08574	28.9
133.06482	3.3
133.10121	6.1
134.99667	3.9
135.04367	9.1
135.08043	12.8
137.05994	7.8
137.09619	2.3
139.03908	10.3
139.07588	2.5
139.11206	8.5
140.04703	2.6
140.07106	2.5
141.05463	27.9
141.06639	2.0
141.06938	1.5
147.08029	6.6
148.97354	3.8
149.02330	2.8
149.06017	4.4
149.09622	100.0
151.03920	6.2
151.11211	4.3
153.05473	56.0
153.06755	2.7
153.09071	4.3
154.08630	2.0
157.06404	2.8
159.08031	6.1
162.61946	1.7
163.03857	2.3
165.09123	6.6
167.03372	3.5
167.07068	5.6
167.08554	2.4
167.10641	13.0
177.05475	4.2
177.09103	51.0
179.03455	2.5
191.37271	1.8
195.02870	1.6
195.06456	2.2
195.08327	3.5
195.10158	43.7
213.03806	2.3
213.05554	3.3
213.09212	4.6
213.11261	13.3
213.16603	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
52.11308	2.2
54.32691	2.3
55.05510	17.3
57.07067	5.1
59.33764	2.1
65.03924	3.1
67.05499	39.1
69.03421	10.1
69.07075	21.1
71.04993	11.0
71.12531	7.0
73.79983	2.4
79.05517	12.1
81.03405	8.9
81.07051	39.7
83.04986	13.5
83.08618	11.5
85.06585	4.0
91.05491	10.2
93.07037	15.3
95.04959	8.9
95.08604	46.6
97.06512	4.3
99.04452	14.8
99.08093	4.7
105.07038	10.7
107.08589	29.2
107.85052	2.6
109.06496	11.3
109.10154	100.0
111.08062	5.7
113.09623	4.0
119.08564	27.4
121.10154	14.6
123.08064	16.7
123.11700	10.4
125.09608	3.7
133.10121	22.3
135.11697	59.3
137.09613	17.2
139.11194	2.9
149.13268	6.2
151.11206	9.1
151.14880	12.4
153.12834	2.7
165.12738	2.5
165.16460	2.9
175.14827	17.0
193.12212	2.9
193.15880	15.9
204.01711	2.6
210.50909	2.4
211.17030	3.3
212.26643	2.4
223.40302	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01861	2.3
55.05513	24.3
57.03431	4.3
57.07067	6.4
59.04993	2.1
59.52962	1.6
67.05179	2.4
67.05509	38.4
69.03423	11.9
69.07061	18.4
69.56770	7.7
69.57182	4.6
71.04993	5.1
71.08626	3.1
78.29581	1.9
79.05489	11.2
81.03439	10.8
81.07053	37.4
83.04987	18.2
83.08626	17.4
85.06538	5.9
91.05489	12.2
93.07043	13.6
95.04957	6.0
95.08604	43.2
97.06508	4.8
97.10164	2.8
99.04473	4.2
99.08081	4.0
103.34216	1.6
105.07032	13.6
107.08602	27.2
109.06496	10.7
109.10155	100.0
111.08085	7.0
113.09684	2.8
117.77891	1.6
119.08578	28.1
121.06551	2.8
121.10162	11.6
123.04404	2.2
123.08060	13.3
123.11687	11.0
125.09615	3.2
125.42918	1.9
133.10123	23.0
135.11694	68.3
136.12030	1.8
137.09622	17.6
147.11696	4.2
149.13298	5.0
151.11191	10.9
151.14842	10.6
153.12688	1.9
157.10138	2.3
165.16356	2.9
167.07085	2.5
169.10110	2.6
175.14822	17.0
193.12285	3.6
193.15895	14.5
211.14876	6.3
211.16833	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05194	0.9
52.66816	1.0
53.03935	2.3
54.85708	1.0
55.01858	1.1
55.05265	1.2
55.05509	20.1
57.03418	2.9
57.07055	3.0
59.04987	1.4
61.19536	1.0
64.84727	1.0
65.03915	1.4
67.05505	32.2
69.03432	10.1
69.07066	17.8
69.46520	8.9
71.04994	5.8
71.08613	1.4
79.05489	11.7
81.03414	13.4
81.07056	35.6
81.34234	1.0
83.04980	16.3
83.08612	16.1
85.06528	6.0
91.05470	9.7
93.07045	16.8
95.04977	8.6
95.08609	42.9
97.06523	2.5
97.10172	2.3
99.08091	3.3
105.07029	10.6
107.08593	29.3
109.06527	13.6
109.10155	100.0
110.06756	1.1
110.10463	2.0
111.08072	5.5
113.09654	1.5
117.06965	1.9
119.08577	26.7
121.10134	14.8
123.08070	15.9
123.11690	10.8
125.09639	2.1
129.06975	1.5
131.08580	2.6
133.10132	19.8
135.11690	63.1
136.12032	1.7
137.09618	16.0
138.10309	1.0
139.11160	1.8
147.11676	3.2
149.13290	5.3
151.11177	10.2
151.14795	12.2
153.12724	3.2
157.10123	1.7
163.14780	2.0
165.12740	1.4
165.16373	3.4
175.11172	2.9
175.14813	16.8
193.12222	4.0
193.15894	12.8
205.98920	1.1
211.13199	1.6
211.16826	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34592	2.6
55.05509	24.0
57.03423	8.3
57.07059	7.5
59.04996	6.3
67.05499	39.0
69.03419	14.3
69.07069	22.3
70.71706	6.0
71.04996	23.4
79.05477	11.3
81.03400	9.0
81.07050	37.8
83.04968	15.5
83.08609	13.1
85.06547	8.6
91.05470	10.4
93.07024	26.4
95.04964	13.7
95.08604	56.5
97.06509	7.5
97.10163	5.7
99.04452	20.2
99.08073	7.6
105.07017	16.0
107.08588	32.1
109.06509	15.2
109.10152	100.0
111.08055	5.8
113.09639	2.9
119.08577	24.8
121.06515	2.5
121.10143	18.5
123.08082	16.1
123.11692	17.1
125.09620	7.1
131.08643	3.0
133.10141	21.9
135.11687	62.9
137.09596	15.4
147.11661	4.7
148.04984	2.8
149.13266	6.5
151.11179	11.0
151.14818	12.2
153.12720	5.1
167.07045	7.3
169.10065	7.5
175.14774	17.9
181.10078	4.4
193.15996	12.6
201.20993	3.5
211.07590	6.0
211.14897	4.1
211.16878	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03941	3.5
55.01874	6.4
55.05264	2.7
55.05510	37.9
57.03432	8.3
57.07076	4.9
59.04995	2.9
65.03929	3.9
67.05174	3.8
67.05506	46.6
67.51063	2.0
69.03429	13.3
69.07066	26.5
70.06608	2.3
71.04997	24.0
71.58057	3.9
74.64674	2.2
79.05492	40.6
81.03416	35.9
81.07056	76.0
83.04987	24.2
83.08620	22.1
85.06565	12.4
86.10739	1.8
91.05477	32.6
93.07049	75.3
94.07323	2.1
95.04971	20.3
95.08609	83.2
96.68181	1.8
97.02902	2.1
97.06537	10.2
97.10168	4.6
99.04473	3.8
99.08090	10.2
103.05416	2.7
105.04532	2.1
105.07034	34.0
107.04961	4.0
107.08595	83.2
109.06521	9.5
109.10155	56.5
111.04456	2.1
111.08087	9.1
111.11761	2.3
111.24124	1.9
116.37138	2.0
117.07062	2.2
119.04932	2.1
119.06109	2.5
119.08585	36.6
121.06536	2.2
121.10152	25.4
123.04408	9.5
123.08085	7.0
123.11710	22.2
125.09659	13.8
129.07004	5.9
131.08565	8.4
133.06490	3.5
133.10124	31.7
135.11691	100.0
137.06004	8.8
137.09642	8.1
139.11220	2.4
147.08052	3.1
147.11711	11.7
149.05984	2.6
149.09590	2.3
149.13252	8.5
151.07507	5.4
151.11165	7.2
151.14822	2.5
153.06982	2.8
153.12732	5.5
155.08574	4.3
155.78297	1.9
157.10165	3.8
157.57271	2.2
163.13440	4.4
163.14821	92.5
164.15096	2.3
165.06967	2.8
165.12831	2.7
165.16393	2.2
167.07005	8.0
167.14235	2.0
168.09352	3.1
169.10124	3.9
175.11192	6.4
175.14832	23.1
179.07094	15.4
181.10114	2.4
181.15892	3.1
183.07956	2.6
183.11646	2.5
193.08687	3.2
193.12344	11.5
193.13879	1.8
193.15921	10.5
211.07565	6.8
211.09438	2.9
211.11385	3.1
211.13206	4.3
211.15059	4.1
211.16951	26.3
221.41948	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05510	16.1
57.03415	1.8
57.07060	5.9
58.22818	1.6
59.05008	2.5
65.03933	1.9
67.05505	30.3
69.03420	12.4
69.07060	17.0
69.48426	1.4
69.78812	10.6
71.04984	3.7
71.08621	1.8
77.85242	1.7
79.05487	7.0
81.03429	2.6
81.07050	33.5
83.04969	10.9
83.08618	11.9
85.06541	3.1
87.06746	1.4
91.05469	6.1
93.07037	11.5
95.04961	5.4
95.08608	42.0
97.10171	2.8
99.08083	4.0
105.07029	9.4
107.08587	26.2
109.06506	14.8
109.10155	100.0
111.08073	4.1
111.17798	1.6
113.09656	2.0
119.08572	24.0
121.10135	12.2
123.08056	17.4
123.11723	11.2
125.09631	2.3
130.58215	1.6
133.10121	22.4
135.11685	68.0
136.12059	1.9
137.09622	17.5
139.11145	2.3
147.11678	2.4
149.13287	4.3
151.11186	10.7
151.14789	9.3
153.12718	2.0
165.16432	2.8
166.00844	1.5
175.14827	18.0
178.95404	1.8
193.15871	17.1
208.90714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03939	8.0
53.04137	1.4
55.01869	10.0
55.05507	50.7
56.96557	2.2
57.03433	12.0
57.07050	1.7
65.03917	1.8
67.05500	45.5
69.03423	12.5
69.07063	17.5
70.79232	1.6
71.04989	8.2
71.17484	2.4
71.17818	3.1
77.16039	1.5
79.05486	36.5
81.03413	100.0
81.06587	3.1
81.07051	61.7
83.04486	2.6
83.04975	51.7
83.05463	3.8
83.08612	31.9
85.06534	4.5
91.05473	47.7
93.07034	24.9
94.55088	1.5
95.04959	37.4
95.08596	23.8
97.02859	4.9
97.06510	10.2
97.10146	6.4
99.08081	3.5
103.05434	2.3
105.07026	36.3
107.04941	10.5
107.08599	13.8
109.06484	7.7
109.10136	11.4
111.08060	10.4
115.05447	2.5
117.06979	3.0
119.07777	3.1
119.08571	31.3
121.06487	2.2
121.10135	16.8
123.08048	5.7
123.11674	8.3
129.06993	13.4
131.08565	13.9
133.06490	4.4
133.10107	13.0
135.11671	6.5
137.05942	2.3
137.09593	6.7
142.07819	4.8
145.10120	2.3
147.08057	3.0
147.11684	24.7
149.09633	7.7
155.08577	3.6
157.10146	14.9
162.06612	2.1
163.97675	1.7
165.12738	5.9
167.07018	4.3
169.10121	3.6
175.11172	15.8
181.10176	2.8
183.11641	4.1
193.08623	4.7
193.12210	22.9
196.12430	3.0
211.07631	2.1
211.11343	3.4
211.13028	9.4
211.14839	6.0
211.16629	2.7
212.86026	1.8
229.07384	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01872	11.8
55.05507	23.8
56.96563	15.1
57.03422	5.7
57.07072	8.0
57.29285	1.3
59.04994	7.6
65.03939	2.3
67.05504	24.0
69.03430	5.3
69.07066	23.3
71.04990	27.9
71.58327	1.4
77.03915	2.2
79.05488	19.7
81.03416	28.6
81.07053	77.2
83.04984	19.5
83.08618	16.5
85.06541	5.7
87.04452	4.8
91.05480	35.8
93.07040	21.6
95.04955	15.2
95.08610	32.3
97.02899	2.1
97.06535	8.0
97.10180	3.8
99.04473	9.4
99.08073	3.3
105.03387	15.8
105.04472	1.8
105.07021	18.2
107.04964	3.2
107.08592	20.3
109.06559	6.4
109.10165	12.1
111.04411	2.1
111.08077	4.6
112.03059	1.5
113.09644	1.5
115.05461	2.4
115.07599	2.3
117.06982	1.6
119.08585	18.4
121.06450	1.9
121.10143	15.0
123.04495	1.5
123.08072	6.2
123.11704	91.9
124.12053	1.4
125.09609	3.2
127.07542	2.5
128.06224	2.1
129.07018	6.1
131.08580	6.6
133.02817	3.2
133.06581	1.6
133.10123	20.8
135.11684	26.9
137.09601	6.8
137.13362	1.5
140.50932	1.4
141.06972	6.5
141.09074	1.7
141.12711	2.9
142.07773	1.6
143.08569	2.1
147.07980	2.0
147.11676	9.0
149.09616	2.3
149.13258	5.1
151.03902	42.4
151.11177	100.0
152.11444	1.6
153.06992	5.3
153.12724	4.7
154.06226	2.9
154.07692	3.2
155.08553	11.4
155.10670	3.0
157.10124	6.0
163.97708	2.1
165.07013	7.7
165.12814	3.1
167.07091	2.9
167.08504	2.8
168.09352	3.2
169.06339	1.6
169.08717	2.5
169.10095	13.7
175.11229	4.6
175.14842	13.5
181.10155	2.4
182.10912	2.5
183.08089	3.1
183.11690	6.0
193.12233	8.6
193.15863	3.9
196.08823	1.8
196.12503	3.8
199.06404	4.3
201.08102	1.6
205.98753	2.2
211.07574	45.0
211.11226	5.1
211.13155	2.9
211.14828	20.5
211.16959	19.1
212.07945	2.3
217.07475	9.7
229.07471	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03938	4.5
53.81274	1.4
55.01863	5.3
55.05509	48.8
57.03439	7.3
59.05013	2.6
65.03946	2.5
67.05505	28.1
69.03425	12.1
69.07072	10.9
69.96411	6.3
71.04989	6.6
79.05489	38.4
81.03417	100.0
81.06586	2.3
81.07055	43.0
83.04980	51.2
83.08142	2.9
83.08617	34.4
85.06564	2.5
91.05481	36.0
93.07041	20.6
95.04964	34.6
95.08614	13.3
95.12881	1.4
97.02879	4.8
97.06526	4.4
97.09622	1.5
97.10146	8.0
99.08067	1.7
105.07025	24.8
107.04934	7.2
107.08598	7.6
109.06511	7.1
109.10166	6.7
111.04455	2.1
111.08100	10.4
116.82722	1.4
117.13303	1.5
119.08575	16.7
121.06475	3.1
121.10159	9.6
123.08072	3.9
123.11700	2.7
125.09661	2.3
129.07010	11.5
131.08559	12.9
133.06514	3.1
133.10121	9.2
135.11719	2.1
137.09587	3.0
142.07774	3.0
145.10091	2.8
147.08040	3.5
147.11699	12.7
149.09618	7.3
157.10110	13.3
165.12785	3.7
169.10065	2.0
175.11166	13.2
183.11784	1.8
193.12253	24.5
211.11443	1.6
211.13200	7.4
222.99083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.44257	1.4
53.03931	5.4
55.01853	7.2
55.05507	45.5
56.96301	1.5
56.96563	20.2
57.03438	8.7
59.05003	1.5
65.03926	2.5
67.05499	34.8
69.03426	10.2
69.07064	11.9
71.04990	6.8
71.57832	2.0
71.95238	2.1
74.84961	1.2
79.05060	2.5
79.05488	32.5
81.03412	100.0
81.06588	2.0
81.07053	38.9
83.04971	45.8
83.08612	28.3
85.02854	1.4
85.06554	1.8
91.05467	36.6
93.07043	19.3
95.04964	32.7
95.08598	16.3
97.02882	2.5
97.06520	5.5
97.10148	6.0
98.12132	1.4
99.04448	5.9
103.05442	1.3
105.07024	25.9
107.04967	7.5
107.08595	10.3
109.06499	6.6
109.10139	5.1
111.04451	2.0
111.08058	7.5
115.05428	2.6
117.07007	2.4
119.04893	2.8
119.08572	20.8
121.06506	1.6
121.10152	8.6
123.08052	3.2
123.11710	1.7
125.05974	2.1
125.09599	2.0
128.06175	2.5
129.06985	12.6
129.37315	1.3
130.07640	1.6
131.08563	13.6
133.06471	4.2
133.10123	13.0
135.11662	4.0
137.09605	3.2
141.06995	7.4
142.07809	4.1
143.08556	2.9
145.10130	1.9
147.07986	2.2
147.11649	9.2
149.09688	6.5
151.11130	2.1
154.07835	1.4
155.03802	1.9
155.08540	5.4
157.10117	13.2
165.12680	3.7
167.08571	2.0
169.10129	16.3
171.03302	1.5
173.04857	3.6
173.06305	1.5
175.11166	11.8
175.14818	1.5
182.10779	2.1
182.53264	1.3
183.11691	7.3
193.12227	23.1
196.12430	2.1
199.06458	7.0
199.07941	1.5
201.07936	4.5
203.05893	2.3
205.98877	1.7
211.11435	2.6
211.13197	6.3
211.14944	15.6
217.07443	12.3
219.09016	3.8
229.07475	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.83787	0.9
53.03939	6.8
55.01877	6.7
55.05508	50.9
56.96548	4.0
57.03437	8.5
57.07056	1.3
59.04984	1.6
65.03934	2.6
67.05501	35.4
67.33665	0.9
69.03426	9.8
69.07061	11.3
69.55123	7.2
71.04988	6.7
79.05487	35.5
81.03414	100.0
81.07050	41.3
83.04979	51.2
83.08611	30.6
85.02895	2.1
85.06534	3.8
91.05475	36.7
93.07040	20.6
95.04961	33.2
95.08598	17.5
97.02879	3.6
97.06528	6.0
97.10171	8.5
99.08073	1.9
105.03393	1.2
105.07026	25.0
107.04935	7.6
107.08584	9.4
109.06501	8.3
109.10133	3.9
109.73499	0.9
111.04435	2.7
111.08073	10.2
115.05442	2.8
117.07003	1.7
119.07793	1.7
119.08585	20.2
121.06491	2.1
121.10144	6.5
123.04440	1.2
123.08072	4.5
123.11674	1.8
125.09689	1.7
128.06259	2.3
129.07007	12.1
130.07809	1.0
131.08543	10.1
133.06464	3.5
133.10124	11.2
135.11702	2.3
137.05927	0.9
137.09602	3.1
141.06975	1.5
142.07751	4.0
143.08508	1.3
145.01723	1.6
145.10176	1.7
147.08061	3.4
147.11685	14.0
149.09645	6.0
151.03908	2.0
151.11209	1.9
153.06947	1.2
155.08588	4.0
157.10127	13.5
163.02786	2.9
163.11093	1.5
163.97679	1.3
165.12732	3.4
167.07008	1.5
169.10139	3.2
175.11165	11.8
181.03810	1.2
181.10118	2.5
183.11749	2.8
193.08546	1.4
193.12225	26.9
196.12474	2.2
205.98788	1.3
211.07530	2.6
211.11121	4.3
211.13252	7.6
211.14880	3.7
217.07396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03945	5.4
55.01862	5.2
55.05509	44.7
56.96565	2.5
57.03428	7.9
57.07064	1.1
59.05005	1.4
65.03941	2.2
67.05501	29.7
69.03426	11.5
69.07063	10.6
70.15807	0.8
71.04998	5.6
77.03904	0.9
79.05490	34.2
81.03414	100.0
81.07050	36.9
83.04974	48.6
83.08616	29.7
85.02907	1.6
85.06538	2.8
87.04492	1.2
91.05476	35.7
93.07039	17.9
95.04965	31.7
95.08603	13.2
95.09169	1.2
97.02892	2.7
97.06519	4.8
97.10149	7.0
98.21552	1.8
99.08096	1.5
103.05482	0.8
105.07022	25.4
107.04948	7.3
107.08595	9.5
109.06503	6.6
109.10156	3.8
111.04444	2.5
111.08075	7.6
115.05434	2.2
116.06210	0.8
117.07049	1.7
119.04952	1.0
119.08572	21.2
121.06514	2.3
121.10123	7.2
123.08067	3.2
125.09643	1.9
129.06996	10.9
131.08559	13.6
133.06480	3.4
133.10129	12.1
135.11729	1.0
137.09622	3.1
141.06970	0.9
141.76567	0.9
142.07771	3.4
145.10118	1.9
147.08054	4.3
147.11681	13.7
149.09625	6.2
151.11174	1.1
155.08531	2.0
157.10110	16.8
157.11320	1.3
163.11224	1.3
165.12794	3.2
169.10179	1.8
170.74712	0.9
175.11174	13.0
183.11725	1.0
193.04977	0.8
193.12241	26.5
211.05743	1.4
211.13147	8.0
211.14891	2.7
211.16560	0.9
229.07646	1.6
229.48340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03940	4.7
53.27134	2.8
53.43005	2.6
55.01867	12.7
55.05508	27.3
56.96560	5.2
57.03438	5.2
57.07060	3.0
62.19810	2.8
63.78557	2.6
67.05500	56.5
67.85815	2.7
69.03404	3.1
69.07066	21.9
69.36676	19.1
69.37103	11.0
69.69817	3.0
71.04979	10.2
79.05491	38.0
81.03411	27.1
81.07049	100.0
82.81546	2.9
83.04980	17.8
83.08633	15.8
85.06532	9.3
90.31022	2.8
91.04910	4.7
91.05473	76.3
93.07043	30.4
95.04954	20.2
95.08606	25.0
97.06521	21.1
98.20744	6.2
99.04445	4.9
105.04504	3.7
105.06323	3.5
105.07022	59.3
107.04968	5.3
107.08596	13.0
109.06534	13.8
109.07172	2.9
109.10165	9.3
111.04422	4.4
111.08048	4.6
113.05980	6.2
117.07061	3.5
119.04881	3.5
119.08580	49.6
121.10157	22.0
123.08083	7.9
123.11687	21.5
129.07002	18.0
131.08554	14.3
133.10117	51.2
135.11687	3.6
142.07761	7.3
145.10094	3.6
147.08057	3.0
147.11673	77.0
149.09634	7.2
151.11232	5.6
155.08617	6.5
157.10120	25.2
165.12701	19.0
169.10103	7.9
172.58420	3.0
175.11153	27.6
191.64909	3.0
193.12218	17.7
200.93735	3.2
205.98738	3.2
211.11282	5.9
211.13252	12.6
211.14856	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03944	5.6
55.01855	5.1
55.05510	48.4
56.80012	1.1
56.96560	3.1
57.03433	9.3
59.05006	1.4
65.03921	2.4
67.05505	34.8
69.03427	11.4
69.07061	10.8
69.37129	11.4
71.04993	3.9
73.06598	1.3
79.05491	37.5
81.03416	100.0
81.06584	2.1
81.07054	37.3
83.04980	54.1
83.08617	38.3
85.02921	1.4
85.06544	3.9
91.05479	34.5
92.88448	1.2
93.07043	21.5
95.04962	34.4
95.08603	14.6
97.02889	4.6
97.06529	4.9
97.10176	7.0
99.04445	1.6
99.08075	2.0
105.07024	25.0
107.04951	7.2
107.08588	10.2
109.06520	8.8
109.10145	4.9
111.04417	2.9
111.08083	10.7
115.05383	2.1
117.07066	1.6
118.44498	1.4
119.04937	1.3
119.08575	22.5
121.06522	2.1
121.10133	9.2
123.08065	3.5
123.11687	1.8
125.09595	2.4
129.07001	13.1
131.08585	13.3
133.06451	5.1
133.10124	12.3
135.11742	2.2
137.09567	2.1
142.07800	3.3
145.10176	1.7
147.07974	3.2
147.11679	15.8
149.09598	6.5
155.08559	2.3
157.10121	15.7
163.97713	1.3
165.12714	2.9
169.10143	2.5
175.11177	14.4
178.07776	1.6
193.12238	26.4
211.05795	3.0
211.13161	8.9
211.15033	2.3
217.07399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.77829	2.0
53.03933	5.4
55.01859	12.8
55.05511	28.1
56.81820	2.8
57.07074	5.6
58.22916	2.7
59.04988	3.5
65.03928	3.5
65.67975	2.2
67.05496	16.5
69.03420	6.8
69.07075	21.1
70.46842	5.4
70.47244	5.6
71.04987	10.0
79.05503	17.3
79.05885	3.1
81.07049	31.6
83.04984	55.1
83.08620	13.0
85.02916	3.5
85.06550	4.3
91.05473	26.7
93.03417	5.5
93.07034	34.3
95.04966	36.6
95.08586	15.0
96.99186	2.3
97.06527	18.3
97.10152	4.8
99.04467	6.5
99.08089	5.1
102.72932	2.5
103.05445	6.9
105.07038	14.5
106.04170	13.3
107.04970	4.4
107.07889	3.4
107.08595	49.0
109.06518	89.4
109.10143	24.1
111.08080	9.2
117.03359	4.2
117.07040	7.3
119.08595	14.2
121.06496	26.3
121.10143	24.3
123.08070	13.4
123.11729	6.9
125.06004	5.1
125.09629	12.9
131.08572	17.3
133.10133	22.7
135.08061	19.9
135.11700	6.4
137.06030	3.5
137.09674	4.1
139.07532	8.6
145.10129	8.1
147.08046	4.0
147.11673	41.0
148.05205	3.1
149.05983	21.3
149.09605	19.7
149.13255	26.4
151.11142	12.0
152.22765	2.8
153.09071	22.6
158.10884	4.3
161.09636	3.4
163.11182	3.3
163.14818	8.3
167.14293	21.7
173.13245	18.3
176.11987	3.7
177.05449	9.7
191.07146	3.1
191.14296	100.0
193.04556	2.6
209.08086	4.5
209.15361	51.0
211.80461	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.37142	1.6
53.03938	3.8
54.32138	1.8
55.01863	12.0
55.05506	57.5
55.63495	1.8
56.96546	2.8
57.03431	7.8
57.07064	5.3
59.04998	6.8
65.03938	5.5
67.05507	14.2
69.03422	8.2
69.07054	14.2
69.82267	11.0
71.04998	11.5
75.04489	3.8
79.05477	16.6
81.03413	3.6
81.07051	24.5
83.01343	1.9
83.04978	100.0
83.08619	26.9
84.04501	2.6
85.02907	3.7
85.06548	4.5
89.03910	2.1
91.05466	21.4
93.03406	6.0
93.07043	32.7
95.04964	65.5
95.08616	15.3
97.02865	2.5
97.06522	18.2
97.10160	7.2
98.19856	1.7
98.97572	4.3
99.04457	9.9
99.08101	2.5
103.05489	8.8
105.07035	15.3
106.04169	15.5
107.04991	5.7
107.08591	35.4
107.09298	2.6
109.02906	2.3
109.06512	59.3
109.10150	26.3
111.04433	3.1
111.08086	14.5
116.98588	2.1
117.07010	3.8
119.04929	2.3
119.08581	5.3
121.02842	1.8
121.06501	26.9
121.10146	51.7
123.04408	2.3
123.08037	9.2
123.11728	8.6
125.06011	5.5
125.09627	11.7
131.04918	3.5
131.08569	7.2
133.10097	18.0
134.03627	3.1
135.04439	4.8
135.08044	11.2
135.11684	4.4
137.05986	4.1
137.09679	2.4
139.07570	3.0
145.10121	6.3
147.04350	2.6
147.11673	2.0
148.05220	6.3
148.83524	1.8
149.02376	3.1
149.05981	24.0
149.09595	7.1
149.13278	11.3
151.03894	2.4
151.11174	29.8
153.05472	3.6
153.09087	30.5
162.03281	1.8
163.03903	3.9
163.07553	3.6
163.11221	2.2
163.14827	5.4
167.06993	3.8
167.14323	51.4
173.13239	6.5
177.05492	13.0
181.08600	2.2
191.07074	3.5
191.10674	3.1
191.14331	18.1
194.02043	4.6
194.05714	4.1
209.04497	11.4
209.08080	17.1
209.09865	3.9
209.11795	2.7
209.15363	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.25661	1.5
52.13381	1.5
53.03927	4.7
55.01860	6.6
55.05508	18.3
57.03421	5.7
57.07058	4.8
58.40414	1.7
59.04979	5.2
67.05499	17.0
68.99779	5.9
69.03429	14.7
69.07063	22.2
71.04974	7.4
71.17584	4.5
74.06377	2.0
79.05488	13.0
81.03397	2.6
81.06583	2.1
81.07056	33.1
83.01341	4.4
83.04979	26.6
83.08605	10.9
85.02892	3.2
85.06550	8.8
87.16343	1.6
89.03975	1.9
91.05473	19.9
93.03378	2.1
93.07042	40.0
95.04971	13.2
95.08598	30.5
97.06529	16.2
97.10162	3.4
99.04436	4.9
99.07474	2.4
99.08086	21.6
103.05479	4.2
104.94748	1.5
105.07026	19.8
106.04169	6.4
107.04942	7.5
107.08589	61.3
108.93611	1.7
109.06499	18.6
109.10156	20.7
111.04426	2.9
111.08070	12.3
116.06179	2.1
117.06993	3.1
119.08572	11.7
121.06506	15.6
121.10132	39.2
123.08057	15.6
123.11660	11.1
125.05976	10.1
125.09621	19.2
127.07566	1.9
130.73221	1.5
131.08569	12.3
131.68678	1.8
133.10117	23.2
135.08046	19.7
135.11673	7.5
137.09592	10.6
139.07556	11.9
139.08458	2.1
139.11137	4.5
145.10075	3.4
147.11679	7.6
149.06056	8.0
149.09605	100.0
149.13242	26.3
151.11168	61.0
153.09093	15.7
154.09915	4.4
158.10899	2.4
163.11147	3.7
163.14828	12.0
165.12819	1.9
173.13246	18.1
177.05467	6.2
181.08443	2.7
181.15871	2.5
191.14290	36.5
209.08084	4.6
209.15361	67.8
209.76360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01868	10.2
55.05508	14.7
57.07076	4.2
62.46828	3.3
64.38646	3.9
65.03930	5.7
66.00345	3.5
66.12267	3.4
67.05507	20.1
69.03432	14.2
69.07068	14.2
70.87232	4.0
70.87581	7.6
71.04988	8.2
78.29945	3.2
79.05496	20.1
81.07062	26.7
83.04977	10.8
83.08614	3.9
83.89937	3.4
85.02911	5.5
85.06529	4.1
89.03905	4.5
91.05463	29.1
93.03416	6.4
93.07033	25.9
95.04974	16.9
95.08607	31.6
97.06539	8.3
99.08105	4.4
103.05458	7.2
105.07018	19.5
106.04161	22.5
107.04964	4.9
107.08588	66.9
109.06526	62.8
109.10161	27.2
111.08078	6.5
115.05466	4.1
117.07013	9.6
119.08604	10.3
121.06505	29.5
121.10156	40.5
122.07291	9.1
123.08069	13.3
123.11736	6.2
125.05989	8.2
125.09653	9.9
131.08591	13.3
133.10133	100.0
135.08052	36.1
135.11694	9.4
137.05896	3.6
137.09619	77.2
137.10599	7.4
139.11073	4.4
143.84706	3.6
145.10136	5.0
147.11705	8.8
148.05217	4.9
149.05966	24.0
149.09615	10.0
149.13254	34.8
151.11186	62.2
153.09100	6.5
163.11258	6.4
163.14813	6.7
165.12807	10.6
173.13269	12.2
177.05508	15.4
181.08685	5.8
191.14281	38.5
193.16698	3.9
209.04362	4.7
209.08073	9.4
209.15375	23.0
218.55547	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.01584	2.0
51.02385	2.1
53.02744	1.7
53.03946	9.3
53.27256	1.4
55.01871	34.3
55.05513	11.5
57.03432	6.9
57.07067	9.3
59.05014	1.7
63.02392	1.7
63.05798	1.6
64.62799	1.5
65.03934	17.8
67.05502	25.8
69.03426	15.0
69.07061	14.7
71.04987	6.9
71.57066	1.5
71.57544	3.5
72.52622	1.8
73.94038	1.6
75.04478	13.0
77.03950	3.6
78.04706	16.8
79.05489	27.3
81.03425	8.5
81.07053	28.1
82.04180	2.9
83.04976	23.3
83.08617	7.4
85.02904	9.5
85.06544	5.5
89.03918	9.9
89.06036	3.0
91.05479	75.4
92.05807	1.6
93.03403	33.1
93.07037	46.9
95.04963	57.6
95.08591	19.7
97.02921	2.6
97.06528	20.2
97.10194	2.7
99.04456	4.6
99.08080	3.5
103.05461	32.7
105.03388	4.6
105.04539	4.3
105.07023	16.6
106.04170	81.9
107.04992	11.0
107.08587	38.8
108.05773	2.1
109.06510	31.8
109.10155	11.1
111.04439	11.2
111.08064	10.6
115.05505	2.2
117.03382	8.2
117.07021	3.8
118.04184	2.3
119.04945	9.3
119.08556	8.4
120.05717	3.4
121.06503	93.1
121.10130	20.8
122.03622	1.9
123.04444	6.3
123.08063	11.5
123.11727	5.0
124.05195	4.4
125.05987	25.4
125.09628	26.3
126.01057	1.7
129.07043	2.2
131.04939	13.9
131.08571	6.5
133.02878	3.6
133.06517	3.4
133.10100	8.2
134.03622	17.1
135.04465	8.6
135.08038	17.9
135.11687	14.2
137.05939	12.2
137.09583	3.6
138.06767	6.2
139.07503	8.9
145.02844	10.8
145.10149	16.1
147.04469	3.5
147.11684	8.4
148.05208	12.7
149.05977	100.0
149.09583	13.5
149.13203	9.4
150.06343	2.2
151.03938	3.5
151.07576	4.6
151.11186	9.2
153.05461	9.2
153.07013	1.8
153.09085	24.4
153.12737	2.4
159.04402	3.1
163.03920	5.4
163.07526	9.4
163.11180	20.3
163.14835	5.9
165.05510	2.9
165.06982	4.5
165.12740	28.6
166.06284	5.4
166.07675	3.1
167.07007	1.7
167.10643	2.8
167.14352	3.2
173.09605	4.1
173.13246	14.0
176.04745	4.8
177.05460	51.9
179.08583	6.4
181.08617	17.0
181.10037	2.9
191.07060	17.8
191.10709	7.9
191.14307	51.1
192.14690	2.0
194.02182	2.1
194.05753	2.4
194.10899	4.5
209.04500	12.1
209.06195	3.0
209.08037	21.6
209.09753	3.7
209.11794	6.7
209.13332	4.9
209.15317	51.7
209.18900	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	7.2
55.01866	16.3
55.05506	17.6
57.03431	5.1
57.07071	9.5
65.03943	8.7
67.05497	26.0
69.03428	19.2
69.07057	19.3
71.04987	13.5
71.37726	5.7
75.04486	4.6
79.05489	33.0
80.60197	3.3
81.03418	10.8
81.07056	40.8
83.04959	19.9
83.08627	8.6
85.02885	5.7
85.06535	4.1
90.07732	3.5
91.05465	48.6
93.03400	14.4
93.07039	37.5
95.04966	36.6
95.08604	30.4
97.06547	15.6
103.05479	10.0
105.07043	33.0
106.04166	26.2
107.04964	12.5
107.08591	65.9
109.06519	58.9
109.10156	24.2
111.04433	5.1
111.08081	5.8
115.05426	6.1
117.06975	7.7
119.04925	3.7
119.08591	19.7
121.06497	41.3
121.09302	7.2
121.10131	56.7
122.07275	11.2
123.08004	19.2
123.11715	14.6
125.05988	7.7
125.09611	6.6
131.04886	7.7
131.08580	9.8
133.10126	93.6
134.03616	5.8
135.04402	5.4
135.08038	39.4
135.11688	11.0
137.05931	5.9
137.09608	66.8
145.02861	4.9
145.10101	9.9
147.11685	13.0
148.05193	4.6
149.05983	36.6
149.09625	51.6
149.13251	27.1
151.11203	24.5
153.09120	12.4
158.10938	6.0
163.07532	14.5
163.11209	14.8
163.14810	10.3
165.12759	100.0
167.14322	7.1
173.13292	18.1
177.05536	19.2
181.08667	7.9
191.07066	12.3
191.10703	6.5
191.14293	31.9
209.04434	5.0
209.08084	17.7
209.11746	7.6
209.15363	51.0
229.04112	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	3.5
55.01871	12.2
55.05507	10.2
57.03444	6.8
57.07067	5.3
59.04985	4.4
65.03931	4.6
67.05502	17.2
69.03426	14.3
69.07060	16.6
69.62164	10.9
71.04987	8.6
75.04466	2.4
78.04691	2.1
79.05485	29.2
81.03430	4.0
81.07050	45.3
82.07441	1.3
83.04981	12.6
83.08607	8.4
84.00751	1.3
85.02890	3.0
85.06551	4.4
89.03911	2.9
91.05474	25.7
93.03381	4.7
93.07039	31.1
95.04962	30.1
95.08601	19.9
97.06523	26.5
97.10167	1.4
98.21429	1.5
99.04450	4.0
99.08089	4.1
102.04723	1.4
102.70374	1.4
103.05457	5.4
105.07027	23.6
106.04166	13.4
107.04935	5.8
107.08588	69.3
109.06510	100.0
109.09444	2.7
109.10145	23.8
111.04425	2.8
111.08047	9.7
111.11680	1.3
113.06023	2.0
115.05449	3.7
115.07506	1.9
117.07008	4.9
119.04967	3.1
119.06084	1.7
119.07833	1.7
119.08580	10.2
120.05705	1.3
121.06503	19.7
121.10132	39.4
122.07289	2.7
123.04422	2.1
123.08068	14.2
123.11673	7.6
125.05997	4.9
125.09624	11.8
131.04919	4.0
131.08553	10.1
133.06482	3.9
133.10129	37.9
135.04439	2.4
135.08043	21.7
135.11696	9.2
137.06027	1.6
137.09616	23.1
139.07585	2.7
139.11211	3.1
145.02846	2.4
145.06496	1.7
145.10091	6.4
147.04398	1.5
147.11670	6.8
148.05182	2.8
149.04907	2.2
149.05972	16.2
149.09605	19.2
149.13251	16.2
151.11179	20.5
151.85265	1.4
153.05484	1.8
153.09097	30.6
154.09436	1.6
158.10901	2.3
163.07529	36.5
163.11157	5.5
163.14807	10.2
165.12750	20.9
166.07718	1.9
167.14340	3.2
173.13237	14.5
177.05481	10.8
181.04993	1.6
181.08566	4.3
191.07040	13.7
191.08731	1.6
191.09015	1.8
191.10637	14.1
191.14275	30.1
194.02147	2.2
194.11032	1.8
209.04399	4.2
209.08040	8.6
209.09975	1.4
209.11717	3.8
209.13495	1.9
209.15334	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03927	1.6
54.49795	1.3
55.01862	2.6
55.05508	38.2
55.86018	1.2
57.03413	2.4
58.49632	1.1
59.04987	2.3
61.89071	1.3
63.89001	1.1
65.03944	1.9
67.05495	7.1
69.03444	6.0
69.07059	9.1
70.27592	5.1
71.04972	2.9
73.68861	1.1
78.89271	1.1
79.05483	12.1
79.42850	1.4
80.01072	1.3
81.07057	12.4
83.04485	2.3
83.04977	45.7
83.08620	19.0
85.06517	3.0
91.05466	10.5
93.06470	2.5
93.07040	36.4
95.04964	42.9
95.08595	5.4
97.06516	5.5
97.10171	3.7
99.04417	6.6
105.07024	7.9
106.04145	3.0
107.08589	37.8
107.46120	1.4
109.05794	1.8
109.06508	19.8
109.10146	13.4
111.08065	4.6
119.08586	4.4
121.06477	3.0
121.10137	100.0
123.08060	3.3
123.11707	5.8
125.09599	7.7
131.08525	1.5
133.10115	5.5
135.08061	2.0
135.11673	4.8
137.09648	1.6
149.05957	2.8
149.09612	1.5
149.13226	4.5
151.11194	12.8
153.09068	10.5
158.10849	1.6
163.14796	17.8
167.14311	30.4
167.15668	1.1
173.13257	3.8
191.14238	7.4
209.04402	1.7
209.15366	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03936	2.3
55.01857	2.4
55.05507	63.2
57.03425	3.4
57.07059	2.5
59.04982	4.8
67.05499	9.3
69.03426	9.1
69.07061	7.4
70.55254	5.5
71.04990	3.0
75.62257	1.3
79.05496	7.2
81.07048	14.7
83.04974	100.0
83.08617	27.6
85.06527	3.1
91.05470	4.0
93.07031	9.8
93.39899	1.4
95.04967	17.5
95.08601	9.2
95.95209	1.5
97.06528	10.9
97.10171	8.7
98.21556	1.4
99.04441	3.1
99.08066	2.7
105.07027	7.1
107.08582	23.7
109.06516	29.6
109.10148	25.5
111.08085	11.6
119.08556	2.6
121.10147	15.0
123.07951	1.8
123.11700	12.5
125.09618	19.5
133.10138	9.3
135.08035	3.5
145.10132	1.6
149.09590	4.7
149.13248	7.8
151.11188	26.3
153.09100	9.3
163.14795	3.1
165.12755	2.2
167.14304	54.8
173.13284	4.9
191.14308	5.2
209.15372	20.7
225.96631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	4.2
55.01857	3.8
55.05263	3.5
55.05508	43.1
57.03420	3.7
57.07059	9.5
59.04986	4.8
66.04686	2.3
67.05500	21.1
67.67138	2.2
69.03427	23.0
69.07069	22.0
70.91056	6.2
71.04978	7.5
79.05494	14.2
81.06636	3.5
81.07051	30.2
83.04977	74.8
83.08613	17.2
85.06527	7.2
89.05202	2.3
91.05462	15.4
93.07036	27.9
95.04960	36.0
95.08606	30.6
97.06514	16.3
97.10153	16.1
99.04398	5.2
99.08090	13.2
105.07023	18.7
107.08582	62.8
109.06511	100.0
109.10154	26.6
111.08079	19.1
113.05977	6.1
119.08576	8.1
121.06483	8.8
121.09328	3.6
121.10143	48.7
123.08071	11.2
123.11685	10.4
125.06016	4.2
125.09619	74.7
127.07562	2.4
131.08559	9.7
133.10120	20.2
135.08051	25.0
135.11690	7.4
137.09615	3.1
139.07533	8.4
139.11168	6.7
145.10149	5.3
147.11618	4.7
147.23639	2.5
149.09612	63.7
149.13248	29.5
151.11176	50.4
153.09093	40.1
154.09883	2.7
158.10896	2.8
163.14812	18.9
165.12746	9.0
167.10730	2.8
167.14304	17.5
173.13268	16.6
191.14307	41.5
209.13464	4.8
209.15369	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	6.4
55.01865	11.9
55.05505	55.5
55.25027	2.7
56.96563	6.4
57.03418	6.3
57.07040	4.5
59.04983	7.0
65.03936	9.3
67.05501	17.2
69.03426	56.9
69.07066	23.6
69.24676	26.8
69.25093	6.4
71.04983	9.3
73.17596	2.9
78.04698	4.3
79.05489	29.2
81.03416	4.1
81.07057	26.5
81.17103	2.9
82.06571	10.3
83.04974	67.9
83.08621	31.6
85.02860	3.0
85.06530	4.5
89.03899	3.6
91.05478	34.1
93.03400	12.0
93.07036	45.0
95.04958	78.9
95.08611	13.7
97.06518	18.3
97.10199	4.6
99.04445	12.1
100.11257	15.0
103.05444	14.8
105.07032	20.0
106.04170	31.5
107.04968	7.7
107.08590	58.7
109.06508	55.8
109.10162	17.6
110.06060	4.6
111.08053	11.2
117.06981	5.2
119.08565	8.4
121.06494	38.2
121.10133	100.0
123.04492	3.7
123.08076	12.7
123.11696	11.9
125.05984	9.6
125.09610	29.1
131.04916	6.9
131.08574	4.5
133.10097	14.0
134.03601	8.5
135.04391	3.9
135.08043	10.1
135.11656	6.5
137.05966	6.8
137.09618	6.0
138.06638	3.4
145.10109	3.5
147.11731	4.0
148.05194	5.4
149.05963	39.6
149.09587	9.7
149.13266	11.1
151.11156	26.2
153.05489	3.9
153.09131	25.5
158.67494	2.5
163.03862	3.0
163.11168	3.5
163.14836	19.5
165.12813	6.0
166.06139	3.2
167.14304	35.7
173.13223	12.5
177.05449	20.1
178.27849	3.2
181.08594	6.2
191.07031	6.7
191.14313	37.1
209.04480	10.5
209.08043	12.7
209.09758	3.3
209.11736	4.2
209.15269	54.1
212.48296	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	7.6
55.01860	11.2
55.05512	22.4
57.03422	4.0
57.07057	4.1
59.04991	2.2
64.34830	2.8
65.03927	7.5
67.05514	19.0
69.03434	20.7
69.07061	13.7
69.46448	20.3
70.53601	2.5
71.04974	7.1
71.79448	2.2
72.39245	2.2
73.06586	2.3
74.46131	2.2
75.04455	3.4
78.04701	5.1
79.05486	18.1
81.03429	13.0
81.07055	33.3
82.06578	5.0
83.04975	10.9
83.08596	8.2
85.02885	4.7
91.05482	31.2
93.03405	7.2
93.07045	32.4
95.04968	27.9
95.08611	28.1
97.06544	11.8
99.04402	5.0
99.08073	2.9
100.07610	2.6
100.11246	9.3
103.05461	8.6
105.07013	15.1
106.04179	29.6
107.04953	5.6
107.08589	47.1
109.06509	30.0
109.10144	11.9
111.04424	4.8
111.08102	2.9
115.05495	3.4
117.03361	2.6
117.06992	6.3
119.08573	16.3
119.10709	2.6
121.06503	33.6
121.10143	40.2
122.07302	2.5
123.08108	16.4
123.11735	11.7
125.05983	8.3
125.09692	2.6
131.04921	4.3
131.08559	6.5
133.10147	41.6
134.03639	4.7
135.04411	3.6
135.08046	14.2
135.11684	10.0
137.06013	3.7
137.09625	37.4
137.13258	3.5
139.07582	3.7
145.02805	4.5
145.10112	9.6
147.11691	9.9
148.05156	4.0
149.05983	30.5
149.09607	16.6
149.13264	13.9
151.11208	14.0
153.05452	3.6
153.09105	12.8
163.07532	2.8
163.11157	8.1
163.14848	5.6
165.12749	100.0
167.14218	3.0
173.13249	7.9
177.05479	19.0
181.08572	4.1
182.15372	10.5
183.41095	2.5
191.06961	3.5
191.14352	17.5
194.10776	2.9
209.04312	5.2
209.08041	8.7
209.09805	3.6
209.11716	3.5
209.15308	38.4
227.20529	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.15080	1.3
53.03935	2.7
55.01860	5.8
55.05262	2.0
55.05511	26.8
57.07054	4.7
63.15493	1.3
67.05501	17.7
69.07044	3.3
70.39843	4.8
71.04977	2.1
71.57065	1.3
79.05482	12.7
80.09522	1.3
81.07053	23.1
83.04978	100.0
83.08614	4.2
85.06517	2.1
91.05486	7.2
91.06010	1.3
93.07039	28.1
95.04967	3.5
95.08610	20.5
97.06541	2.2
98.21349	2.0
105.06989	3.2
107.08578	18.5
109.06506	2.1
109.10145	6.9
111.08070	10.5
119.08566	2.5
121.06513	2.5
121.10149	10.0
123.08055	2.0
125.09622	3.2
131.08534	3.1
133.10114	2.2
135.08028	4.2
135.11638	1.5
145.10165	1.4
147.11702	2.1
149.09624	3.0
149.13234	8.7
153.09079	2.4
159.68614	1.2
163.14815	7.1
165.12698	1.9
173.13286	3.8
191.14296	3.6
209.13451	1.6
209.15343	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.30771	0.4
53.03942	2.1
55.01869	6.5
55.05507	28.7
57.03430	1.0
57.07067	1.9
57.98667	0.5
59.04974	0.6
65.03936	0.9
67.05499	16.2
69.03436	1.2
69.07062	4.5
71.00205	0.9
71.04987	1.6
79.05485	14.6
79.05958	0.5
81.03430	0.8
81.07050	21.3
82.07406	0.6
83.04974	100.0
83.08606	4.7
84.05305	1.0
85.06541	1.8
91.05471	8.3
93.07037	26.4
95.04968	3.6
95.08599	17.5
97.06526	2.4
97.10162	1.6
99.08099	1.2
103.05455	0.8
105.07027	3.5
107.04962	1.0
107.08585	19.3
109.06527	3.3
109.10154	4.9
111.08070	7.4
117.07032	1.5
119.08559	1.8
121.06524	2.0
121.10137	9.8
123.08111	1.1
123.11735	0.8
123.23216	0.4
125.09640	2.0
131.08577	3.0
133.10141	1.9
135.08044	3.2
135.11702	1.7
137.09680	0.7
139.07523	0.6
145.10101	1.8
147.11678	1.5
149.02295	0.6
149.09590	2.6
149.13257	9.4
151.11198	1.2
153.09120	1.3
163.14819	5.4
165.12738	0.8
166.07870	0.6
167.14326	1.4
173.13194	2.6
177.05421	0.9
181.15878	0.9
191.07089	0.4
191.14316	4.2
209.04474	2.0
209.06264	0.6
209.08040	0.7
209.13387	0.5
209.15337	8.2
209.18906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	3.9
55.01861	7.0
55.05505	25.8
57.03422	5.9
57.07060	7.2
59.04984	6.9
60.94213	1.8
65.03925	5.3
67.05176	1.8
67.05502	22.9
67.12975	1.5
68.99768	5.2
69.03416	12.0
69.07066	26.1
70.86931	5.0
71.04986	9.3
75.04462	1.5
78.04694	3.5
79.05486	22.5
81.03419	3.9
81.07053	36.3
83.01328	6.5
83.04977	33.1
83.08613	10.1
85.02901	2.8
85.06531	7.4
91.05475	30.4
93.03391	6.9
93.06483	2.8
93.07047	40.3
95.04972	26.6
95.08600	25.8
97.06528	18.9
97.10163	3.6
99.04437	5.7
99.08092	27.4
100.78933	1.8
103.05460	7.1
105.07021	23.3
106.04166	18.0
107.05000	7.9
107.07868	3.9
107.08589	68.0
109.06518	30.3
109.10152	24.8
111.04417	4.6
111.08083	16.8
117.03349	1.7
117.06977	3.5
119.04915	2.3
119.08595	9.5
120.08862	1.9
121.06502	31.5
121.10144	50.4
121.11023	3.5
123.04419	5.6
123.08069	25.4
123.11697	7.1
124.05212	1.7
125.05982	15.2
125.09624	19.2
125.13274	3.8
129.06973	1.6
131.04898	1.8
131.08557	11.4
133.10124	26.0
134.03661	2.1
134.95001	1.6
135.04341	2.3
135.08051	20.1
135.11699	8.9
137.05986	3.2
137.09619	14.5
139.07529	14.9
139.11160	5.3
143.08549	1.9
145.10141	9.0
147.11691	8.5
148.05188	2.8
149.05978	23.0
149.09615	100.0
149.13248	27.2
150.09943	2.2
151.09970	3.2
151.11176	52.7
153.05489	4.5
153.09085	22.2
154.09848	2.9
158.07430	1.8
158.10898	3.8
163.07620	2.7
163.11201	6.1
163.14807	13.4
167.07065	2.3
167.10683	2.1
167.14334	3.9
173.13252	24.6
177.05403	9.1
181.08600	3.8
191.07062	3.4
191.10651	27.9
191.14304	41.5
209.04512	3.7
209.08046	6.1
209.15366	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.8
54.96007	3.2
55.01880	19.2
55.05513	33.5
57.03421	6.9
57.07070	6.3
59.64110	3.9
65.03928	7.2
67.05505	23.0
67.68970	3.6
69.03425	17.3
69.07063	30.4
70.73710	7.6
70.74045	7.1
71.04977	9.6
79.05487	27.6
81.03402	5.4
81.07054	38.9
83.04983	71.4
83.08620	21.6
85.02890	4.1
85.06527	7.3
88.78520	3.5
91.05477	37.9
93.03397	11.0
93.07045	43.5
95.04963	50.4
95.08603	24.3
97.06530	28.0
97.10129	4.8
99.04466	9.8
99.08066	6.3
103.05441	14.8
105.07040	22.1
106.04143	18.7
107.04951	7.5
107.08592	59.8
107.81555	3.7
109.05798	5.0
109.06514	97.6
109.10159	21.7
111.08096	19.0
117.06996	11.9
119.08562	13.2
121.06505	39.7
121.10143	37.5
123.08058	14.5
123.11728	10.2
125.05986	7.9
125.09621	16.8
128.72701	4.2
131.08578	18.9
133.10123	29.3
134.03654	7.1
135.08057	24.0
135.11679	9.1
137.05975	5.8
137.09579	6.0
139.07529	10.9
145.02867	3.9
145.10086	9.8
147.08057	7.2
147.11720	33.0
148.05222	4.5
149.05986	38.5
149.09601	21.7
149.13258	30.2
151.11160	18.4
153.09085	28.8
161.09641	4.2
163.11174	8.1
163.14801	11.9
165.12804	4.6
167.14284	25.1
173.13275	24.4
177.05479	16.1
181.08691	4.2
191.07068	4.7
191.14302	100.0
209.04445	6.6
209.08047	11.7
209.13481	6.2
209.15367	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.34529	1.1
51.02376	2.4
51.43019	1.4
53.03945	9.2
55.01868	14.1
55.05505	15.9
56.96561	1.4
57.03415	3.5
57.07056	2.1
59.04987	2.8
63.02367	1.5
65.03658	1.5
65.03941	15.9
67.05502	12.6
68.48029	1.1
69.03408	5.2
69.07049	5.9
70.83350	3.7
71.04994	6.7
75.04473	9.5
77.03942	1.5
78.04710	16.0
79.05477	17.0
81.03401	5.1
81.07049	11.8
83.04983	19.0
83.08622	7.0
85.02891	12.3
85.06521	2.0
87.63633	1.3
89.03923	10.2
89.06020	5.9
91.05473	59.2
92.06273	1.6
93.03404	29.9
93.07033	28.2
95.04366	2.4
95.04964	45.5
95.08593	7.0
96.05757	1.8
97.02848	1.8
97.06528	17.9
98.19965	1.2
99.04425	4.1
103.05456	26.3
105.03330	2.7
105.04517	3.3
105.07011	8.7
106.04169	89.3
107.04967	9.1
107.08583	13.3
108.05727	2.3
109.06510	22.5
109.10124	8.0
110.07221	1.8
111.04427	5.6
111.08063	3.8
115.05500	1.3
117.03367	6.6
117.07007	2.2
118.04148	2.7
119.04939	7.4
119.08534	4.4
121.02821	1.3
121.06498	90.0
121.10136	18.5
122.07299	2.1
123.04403	6.1
123.08092	7.6
123.08917	1.5
123.11676	4.4
124.05186	3.6
125.05978	19.8
125.09618	4.5
131.04926	14.1
131.08484	2.8
133.02863	1.7
133.06448	2.3
133.10133	6.6
134.03624	15.2
135.04419	8.2
135.08040	5.8
135.11659	1.9
137.05972	12.4
137.09587	1.9
138.06738	13.5
139.03874	1.4
139.07559	4.6
145.02829	5.7
145.10135	3.4
147.04416	4.8
148.05193	11.0
149.05972	100.0
149.09569	5.4
149.13232	5.5
151.03865	2.0
151.07538	4.3
151.11145	6.3
153.05444	7.5
153.09105	23.4
159.04407	5.5
162.03090	2.0
163.03865	6.4
163.07553	5.1
163.11134	2.9
163.14816	3.3
165.05447	3.1
166.06262	3.8
167.07050	2.2
167.14331	14.0
173.13289	3.4
176.04662	2.9
177.05464	46.2
179.03256	1.5
180.07936	1.5
181.04962	2.1
181.08575	16.7
191.07024	7.0
191.10600	1.8
191.14348	7.1
194.02119	2.5
194.05746	3.2
209.04445	5.6
209.08049	19.1
209.09807	1.6
209.15363	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.98057	1.0
55.01863	2.2
55.05507	7.7
57.07059	4.3
59.04990	4.5
65.03960	2.2
67.05507	11.8
69.03407	8.0
69.07061	6.0
71.02419	2.8
71.04969	1.7
79.05490	8.9
79.93972	1.1
81.03397	1.4
81.07050	15.9
83.04972	12.5
83.08625	1.1
85.02901	2.6
85.06516	4.4
91.04959	2.0
91.05476	21.3
93.07024	13.4
95.04960	5.4
95.08601	45.5
97.06522	6.0
101.06010	1.3
103.05486	1.2
105.07018	40.8
107.04923	4.0
107.08590	33.4
109.06512	13.8
109.10174	4.1
111.08092	1.4
114.87286	1.4
115.05429	1.4
117.07016	3.3
119.04922	11.1
119.08570	33.7
121.06483	4.3
121.10135	17.9
123.08064	84.6
123.11697	15.6
124.08467	1.3
127.07571	1.7
129.06963	2.0
131.08591	6.1
133.06491	13.8
133.10132	10.5
133.75871	1.1
135.08060	5.8
135.11668	1.5
137.05974	4.2
137.09572	3.4
137.13266	2.5
139.07475	1.4
141.06924	1.3
143.08536	4.6
145.06468	1.7
145.10098	7.5
147.04424	6.3
147.08037	13.2
147.11707	17.4
149.09608	27.2
151.03941	1.1
151.07535	38.4
156.09364	6.7
159.08038	6.0
159.11653	2.9
160.08826	4.4
161.05971	1.9
161.09558	7.4
161.13257	28.2
162.13609	1.5
163.11227	2.8
164.04700	2.7
165.09109	4.2
165.12767	16.7
171.11673	13.6
174.10411	12.5
175.03871	2.8
179.07042	1.8
179.14301	1.7
189.12733	83.8
190.13037	2.4
207.06505	5.2
207.13789	100.0
208.14110	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01609	0.7
51.02373	1.5
52.69429	0.6
53.03938	7.6
55.01875	2.2
55.05513	9.6
56.96572	0.8
57.03439	1.6
57.07067	1.8
63.46413	0.6
65.03939	4.4
65.08367	0.6
66.03860	0.6
66.92480	0.8
67.05503	31.7
68.99793	1.8
69.03419	2.4
69.07066	10.1
69.55366	5.8
71.04994	4.2
73.06551	0.9
77.03911	2.3
78.04697	1.8
79.05489	59.2
80.05821	0.7
81.03424	3.6
81.07053	29.3
83.04977	3.6
83.08603	3.3
85.02889	1.9
85.06547	3.2
87.04491	0.8
89.03917	1.5
90.04672	0.9
91.05476	97.3
92.05814	1.7
93.03405	2.0
93.07038	100.0
94.07372	2.3
95.04962	29.8
95.08600	14.3
95.09172	1.3
97.06532	2.2
97.10188	1.4
98.21476	1.1
99.04411	0.7
101.06023	0.8
103.05459	5.1
105.03374	1.6
105.04514	4.2
105.07026	39.1
106.04189	1.3
106.07333	1.1
107.04981	4.0
107.08591	15.9
108.05730	2.1
109.06522	7.2
109.10158	3.1
111.04430	0.8
111.08092	0.9
115.05457	2.6
117.06998	7.9
118.04162	4.2
119.04935	29.1
119.08572	22.6
120.05242	0.9
121.02872	2.4
121.06490	5.2
121.10120	5.3
123.04426	5.5
123.08054	7.1
123.11704	1.3
123.66164	0.6
125.06039	0.7
127.07569	0.8
128.06226	2.8
129.06992	10.9
131.04967	0.9
131.08559	3.1
132.02051	0.9
133.02808	1.1
133.06496	3.1
133.10120	8.4
133.97487	0.8
134.03661	0.7
135.04420	9.6
135.08051	1.5
135.11661	1.0
136.05203	7.9
137.05942	2.6
137.09581	2.4
141.40674	0.6
143.08537	7.9
145.10118	10.2
146.03619	8.1
147.03218	1.5
147.04391	23.3
147.05524	1.3
147.08041	5.2
147.11679	60.9
148.04846	0.7
148.12029	1.4
149.02336	18.8
149.05981	2.7
149.09601	3.3
151.03915	4.3
151.07552	9.9
151.11168	1.3
155.50145	0.7
156.09309	1.3
157.03868	0.7
161.05966	2.1
161.09633	6.6
161.13277	8.9
162.03107	1.0
163.03932	5.2
163.07509	1.1
164.04683	18.9
165.05428	1.6
165.09106	1.2
165.12740	1.0
171.08136	0.9
171.11679	17.9
174.03117	7.1
174.06789	0.9
175.03915	12.0
177.05437	1.8
178.06238	0.8
178.07782	2.8
179.07031	14.7
179.08505	0.9
179.14288	0.7
189.05443	1.4
189.09140	3.9
189.12735	10.7
189.16383	1.3
191.03380	2.5
192.04170	10.8
192.09305	1.4
192.14978	0.8
207.02924	1.4
207.06499	37.4
207.09920	6.6
207.13762	19.2
207.17336	3.4
208.06760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05504	2.1
57.07062	1.7
67.05499	6.3
68.31157	1.2
69.03435	2.1
69.07050	2.0
71.04971	1.2
71.09009	2.7
79.05509	5.0
81.07052	15.4
82.96381	1.2
84.01274	1.0
85.02899	100.0
91.05456	6.1
93.07047	6.4
95.04987	1.9
95.08580	6.9
105.07030	9.1
107.08577	6.2
109.06503	2.7
109.10155	15.9
111.04463	2.4
119.04953	4.1
119.08573	10.1
120.08099	1.2
121.06503	1.4
121.10151	11.9
123.08089	2.5
123.11700	56.0
125.05988	11.5
131.08557	2.9
133.10132	2.0
137.06000	1.9
141.05499	2.7
143.08548	1.9
145.06548	1.1
145.10120	4.6
146.10895	1.2
147.04424	2.5
147.08069	4.5
147.11678	10.2
147.97281	1.1
149.09619	15.7
151.07590	3.9
156.09343	2.5
159.08156	1.1
161.09695	2.2
161.13239	3.0
163.11244	2.2
165.12747	1.6
169.08636	1.3
171.11720	1.6
174.10431	1.3
175.03940	2.4
189.09082	1.1
189.12755	8.6
207.06453	2.8
207.13791	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03928	1.7
55.01846	2.4
55.05309	1.2
55.05513	13.4
57.03410	1.9
57.07060	4.0
59.05001	7.0
65.03921	3.6
67.05502	21.5
67.79284	1.2
69.03421	9.2
69.07072	10.0
69.72490	1.2
69.82354	6.9
69.82772	2.3
71.04996	7.9
77.03891	1.6
79.05502	13.3
81.03439	1.6
81.07055	16.1
83.04967	5.6
83.08608	2.6
85.02888	5.1
85.06532	5.4
91.05479	44.0
92.05805	1.3
93.07051	26.4
94.83388	1.3
95.04982	7.4
95.08607	60.9
97.06522	4.8
98.21484	1.8
99.04454	2.4
103.05447	2.4
105.07029	55.5
107.04933	3.7
107.08597	28.4
109.06532	9.9
109.10149	7.4
111.08069	3.5
113.05966	2.3
115.05450	1.9
117.07002	5.0
119.04944	17.4
119.08580	100.0
120.09399	1.6
121.06521	8.1
121.10140	25.3
123.04414	2.2
123.07191	2.7
123.08065	46.6
123.11700	6.3
128.06175	3.0
129.07021	2.7
131.08577	10.4
132.02089	1.6
133.06505	7.7
133.07358	1.4
133.10135	35.3
135.08055	3.9
135.11690	7.9
137.05948	1.6
137.09613	11.4
137.13223	2.5
139.07506	2.7
143.08566	6.4
145.10132	9.6
146.03601	2.5
146.06000	1.6
146.07201	1.7
146.10892	2.7
147.03607	1.4
147.04451	16.4
147.06302	4.4
147.08018	10.9
147.11688	42.6
149.02361	3.4
149.09624	64.2
151.03799	2.1
151.07516	10.0
151.14777	2.0
156.09354	5.6
159.07950	1.6
159.11745	2.4
161.06009	8.7
161.09631	9.3
161.13254	79.3
163.03912	2.1
163.11171	18.4
164.04657	5.4
165.09122	3.3
165.12743	13.5
171.08083	3.3
171.11714	9.8
174.03210	1.8
174.06882	2.4
174.10387	5.3
175.03943	12.1
179.06981	3.8
179.14331	2.4
189.05473	2.6
189.09155	7.8
189.12746	74.0
192.04195	5.4
207.06552	13.8
207.08266	2.7
207.10144	5.0
207.13794	79.0
208.14070	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02361	2.3
53.03945	8.9
55.01861	5.9
55.05515	9.5
56.35734	1.4
56.96558	5.9
57.07066	3.0
59.04997	1.2
65.03934	4.6
67.05176	2.1
67.05503	27.5
69.03428	1.7
69.07063	8.7
70.63811	4.1
71.04991	2.9
77.03875	1.9
79.05490	48.9
79.94096	1.4
81.03397	3.3
81.07054	24.9
83.04982	5.5
83.08587	1.8
84.08138	1.6
85.02895	2.7
85.06567	3.0
91.05480	76.9
93.07040	100.0
94.07355	2.0
95.04965	22.5
95.08607	21.0
97.06525	2.5
100.07594	2.2
103.05457	1.9
105.04533	3.8
105.07030	35.9
107.04948	3.9
107.08604	16.7
109.06484	8.7
109.10161	2.4
111.08077	1.9
112.83839	1.4
115.96458	2.1
117.06998	6.3
118.04125	2.1
119.04963	12.8
119.08580	24.3
121.06505	4.1
121.10152	5.6
123.04452	3.2
123.08078	9.8
123.11697	2.9
125.06005	1.9
127.57933	1.4
128.06204	3.3
129.07019	9.1
131.08604	2.5
133.06503	4.5
133.10114	8.6
133.97449	3.2
135.04430	4.6
137.09637	3.7
143.08591	7.1
145.10129	11.6
146.03622	1.6
147.04410	11.0
147.08054	5.8
147.11685	65.6
149.02370	6.3
149.05998	3.0
149.09590	5.9
151.07523	5.0
156.09282	2.1
161.05972	2.2
161.09605	5.1
161.13271	11.1
163.03896	1.8
163.07518	1.9
163.11124	1.5
164.04683	6.7
165.05513	1.4
165.09081	2.4
165.12798	2.5
171.11688	19.9
174.03160	2.0
175.03827	6.3
179.07095	6.8
179.08388	1.5
189.05382	2.4
189.09119	3.8
189.12749	15.1
189.16359	2.1
192.04173	3.8
207.02814	2.3
207.06506	19.3
207.10176	5.9
207.11880	2.9
207.13786	23.7
207.17369	3.1
211.44432	1.5
229.75652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.61556	1.3
53.03942	10.4
54.97758	1.1
55.01873	2.1
55.05508	8.5
56.96564	2.9
58.48214	1.3
65.03942	1.9
67.05503	30.0
69.07067	11.2
69.86330	8.0
71.05020	2.6
77.03916	2.1
78.03024	1.3
79.05489	53.3
81.03418	2.5
81.07055	28.4
83.04976	4.2
83.08606	3.3
85.06527	3.1
91.05479	61.6
93.07041	100.0
95.04963	22.6
95.08599	12.2
97.06519	4.4
105.04513	2.8
105.07033	32.4
107.04974	1.8
107.08605	14.1
109.06503	5.5
117.07023	7.4
119.04993	1.7
119.08571	18.9
121.06487	2.9
121.10144	4.4
123.08089	7.0
128.06233	2.0
129.07022	11.7
131.08606	1.5
133.06564	1.7
133.10123	5.5
137.09628	1.7
143.08591	7.6
145.10095	10.4
147.08043	2.5
147.11682	61.2
148.12000	1.6
149.09627	2.0
161.09607	3.4
161.13251	9.5
163.03880	4.9
165.24500	1.3
166.08237	1.6
171.11694	21.4
184.09271	3.4
189.12761	11.5
189.43217	1.4
207.06548	3.9
207.13818	14.2
207.17278	1.4
215.52061	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05501	6.7
57.07064	4.2
59.04988	2.5
65.03944	2.4
67.05172	3.4
67.05498	37.4
69.03416	9.2
69.07074	4.6
70.91779	6.7
71.04967	4.0
79.05488	7.0
81.07027	5.8
83.04972	7.2
85.06534	6.3
91.05472	15.8
92.06296	2.0
93.07042	17.9
95.04952	5.6
95.08604	100.0
105.07020	27.3
107.08578	23.2
109.06505	7.0
109.10135	3.9
112.61908	2.0
115.86906	1.9
116.90090	2.2
119.04971	3.5
119.08576	34.8
121.06493	6.2
121.10136	24.3
123.07191	4.6
123.08062	59.6
123.11686	6.9
129.06953	2.5
131.08560	6.6
133.10121	9.0
137.09590	4.9
143.08577	3.1
145.10104	3.1
147.08051	7.7
147.11707	14.7
149.09608	62.0
151.07542	2.6
156.09332	6.7
159.08067	4.2
161.09587	3.0
161.13260	20.7
163.11154	5.3
165.09193	2.1
165.12782	10.4
171.11693	5.9
173.73280	2.4
174.10344	3.7
179.14323	3.7
189.12743	24.3
207.13797	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	3.2
53.18596	1.6
55.01858	3.5
55.05517	14.1
57.07062	6.2
58.55497	1.9
59.02146	2.0
59.04987	3.8
65.03922	5.9
67.05505	32.0
69.03429	31.1
69.07066	17.9
71.02275	3.9
71.04987	4.6
71.38377	1.6
77.72437	2.0
79.05498	17.0
81.03407	7.8
81.07059	21.2
83.04985	17.6
83.08548	1.9
85.02896	3.4
85.06545	5.2
91.05482	49.7
92.05801	1.7
93.07037	21.6
95.04966	23.8
95.08603	45.1
97.06513	7.2
103.05448	3.8
105.07027	58.3
107.04932	4.6
107.08588	24.0
109.06529	18.7
109.10139	7.9
110.07278	2.1
111.08060	5.6
117.07014	4.1
118.04166	3.2
119.04939	26.8
119.08579	72.2
120.09321	2.4
121.06503	14.1
121.09311	3.1
121.10133	27.1
123.04427	19.2
123.08068	44.2
123.11704	10.0
125.09558	3.0
128.06178	3.7
129.06973	2.1
129.68613	1.8
130.93964	1.8
131.08551	8.6
132.02057	2.4
133.06500	11.6
133.10124	46.5
134.06021	2.2
135.04395	6.6
135.08038	11.5
135.11656	4.5
136.05157	3.3
137.05937	6.7
137.09618	10.6
137.13174	2.9
143.08537	4.6
145.10110	13.4
146.03616	2.8
147.04387	21.3
147.08025	13.9
147.11687	48.0
149.02321	5.9
149.09615	27.4
151.07529	21.9
156.09311	7.9
159.08063	3.9
159.11729	4.2
160.08829	2.8
161.05971	4.8
161.09595	7.2
161.13246	100.0
163.11192	9.5
164.04654	7.3
165.12743	11.7
167.29004	1.7
171.11624	12.2
174.10394	9.2
175.03923	18.4
177.12665	2.7
179.06998	5.0
179.14240	4.9
189.09122	2.7
189.12738	66.1
189.16428	1.9
191.45512	1.8
192.04184	6.4
207.06514	19.6
207.10143	3.5
207.13788	99.9
208.13821	2.2
224.90736	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	7.4
53.24371	0.7
55.01859	1.2
55.05517	7.0
57.03451	0.7
59.50788	0.7
65.03936	2.6
67.05510	26.7
69.07079	6.1
71.04990	2.9
71.31709	0.9
71.32047	0.9
73.06582	0.8
77.03922	1.5
79.05497	48.7
81.03378	1.5
81.07059	24.9
83.04980	2.9
83.08613	2.9
85.06547	1.9
87.04454	0.9
91.05485	63.2
93.07050	100.0
94.07375	1.4
94.83282	0.7
95.04978	20.7
95.08038	1.0
95.08608	7.1
97.06541	1.9
97.10188	1.7
103.05422	1.8
105.04562	3.7
105.07036	33.8
107.04939	1.1
107.08612	12.2
109.06522	4.3
117.07020	6.2
119.08592	17.7
119.09447	1.2
121.06537	1.6
121.10155	2.3
122.17214	0.9
123.08069	2.3
127.07598	1.5
128.06248	1.6
129.07013	8.4
131.08585	1.5
133.10144	6.8
143.08583	6.3
145.10127	9.3
147.04454	1.2
147.08087	2.2
147.11697	62.4
148.12035	0.9
149.02328	0.7
151.24860	0.7
153.27339	0.8
154.97882	0.7
156.09326	1.3
161.09676	2.6
161.13277	7.6
171.11702	20.3
171.13153	1.1
181.66371	0.7
189.09068	0.7
189.12753	10.2
207.06508	1.1
207.13805	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
51.02386	0.8
52.97332	0.4
52.97601	0.5
53.03939	3.1
55.01865	3.1
55.05498	1.6
56.96561	2.1
57.03428	0.9
57.07069	1.8
59.05003	0.6
65.03925	2.5
67.05508	6.5
68.99197	0.5
69.03423	1.1
69.07072	2.2
70.25700	0.5
71.04986	1.8
73.06551	1.5
77.03916	0.8
79.05491	16.4
81.03418	2.0
81.07062	4.5
81.07487	0.9
81.61947	0.4
83.04984	1.3
85.02889	1.2
85.06540	2.9
89.03908	0.5
89.68655	0.5
91.05477	19.3
91.36691	0.5
92.05789	0.6
93.07029	3.7
95.04961	7.6
95.08597	3.5
97.06538	1.1
100.07620	0.4
102.79150	0.5
103.05469	2.1
105.03391	0.5
105.04455	0.7
105.07028	10.2
107.04951	8.7
107.08582	3.1
108.05721	0.7
109.02879	1.1
109.06513	2.0
109.10168	0.8
115.05453	1.2
115.44685	0.4
115.96435	0.8
116.97215	0.6
117.07012	2.3
118.04159	1.2
119.04939	7.3
119.08582	8.6
121.02885	1.0
121.06513	2.4
121.10152	2.2
123.04428	15.9
123.08058	4.0
123.11697	1.4
128.06195	5.0
129.06989	0.7
131.08588	1.1
132.05759	0.6
133.06473	2.5
133.10121	4.5
133.97441	0.8
135.04408	100.0
136.05096	0.9
137.05984	1.7
137.09648	1.1
143.08549	5.0
145.06448	1.0
145.10085	1.1
146.03596	0.8
146.07266	0.8
147.03230	1.0
147.04408	20.4
147.08038	30.5
147.11679	5.2
149.02350	2.8
149.05974	1.6
149.09590	2.8
151.03908	1.3
151.07574	3.5
153.05484	0.8
156.09369	0.8
159.08023	1.3
161.05977	1.1
161.09656	5.7
161.13284	2.1
163.03902	1.5
163.11189	0.5
164.04683	3.2
165.05450	1.4
165.09135	1.1
165.12723	1.5
171.08044	8.1
171.11685	1.3
174.03139	0.8
174.06783	2.2
174.10422	1.2
175.03961	1.0
177.09084	0.8
179.07091	2.6
179.08360	0.5
189.05476	1.6
189.09105	44.6
189.12665	3.3
189.16428	0.6
190.09456	0.8
191.10730	1.2
192.04239	1.8
192.09581	0.9
192.11450	5.1
207.03049	1.1
207.06587	7.5
207.10153	37.8
207.13722	16.5
207.17482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.02346	0.9
53.03935	3.2
55.01823	2.5
55.05458	2.0
56.96526	0.8
57.07032	1.3
57.90075	0.6
65.03933	4.3
67.05503	4.2
68.99746	1.8
69.03428	3.1
69.07019	2.2
70.78715	1.3
70.79067	1.1
71.04948	2.0
77.03913	1.3
78.04665	1.0
79.05492	10.7
81.03396	1.6
81.07047	4.4
83.04945	1.3
85.02883	1.5
89.03895	0.8
90.04675	1.0
91.05479	55.3
93.03379	1.6
93.07039	5.1
94.04130	0.8
95.04973	10.6
95.08609	4.3
97.06501	0.7
99.04469	0.6
103.05469	10.3
105.03394	1.3
105.04487	1.0
105.07027	21.5
106.04159	1.5
107.04960	4.3
107.08574	3.6
108.05714	2.9
109.02894	6.0
109.06501	3.5
109.10096	2.0
111.04440	0.7
115.05451	8.1
116.06256	4.1
117.07000	7.4
118.04160	3.6
119.04942	28.6
119.07793	0.9
119.08570	8.6
120.05731	1.2
121.02873	3.2
121.06508	7.0
121.10097	2.5
122.03555	0.8
123.04433	6.3
123.08065	3.9
123.11686	0.8
127.03882	2.4
128.06219	9.1
129.06999	14.6
130.07784	1.7
131.04919	6.7
131.08568	7.1
132.02049	1.3
132.05676	0.9
133.02837	1.0
133.06483	6.9
133.10126	3.5
134.03581	1.1
135.04402	8.0
135.08049	3.7
136.05188	6.4
137.05940	3.1
137.09608	3.2
141.06969	3.9
143.08456	1.5
144.05685	5.0
145.06482	5.1
145.10129	0.9
146.03636	6.8
146.07249	5.1
147.04404	23.0
147.08032	6.5
147.11693	4.8
148.05197	5.2
149.01149	1.0
149.02330	17.0
149.05975	8.0
149.09612	6.6
149.13234	0.6
151.03905	34.2
151.07524	7.2
155.06006	0.9
157.03975	1.2
157.06471	4.8
158.07269	3.4
159.04420	0.9
159.08049	3.8
161.05968	5.7
161.09639	7.1
161.13239	2.2
162.03142	0.7
162.06769	1.9
163.03932	5.0
163.07541	86.6
164.04689	17.8
164.08002	1.7
165.05476	1.5
165.09094	0.8
165.12761	1.0
171.08118	1.6
171.11685	1.1
173.06003	4.9
174.03122	6.1
174.06764	32.2
175.03899	9.4
175.07547	7.5
177.05464	1.7
177.09103	5.6
179.07039	14.5
179.08539	1.0
179.10667	2.5
189.09105	43.3
189.12790	2.0
189.16402	0.8
190.09508	0.8
191.03423	1.8
192.04184	8.1
192.09331	1.5
207.06572	31.9
207.10150	100.0
207.13876	4.7
207.17416	1.5
208.06952	1.4
208.10524	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03943	4.6
55.01857	5.9
55.05497	5.3
56.96553	2.5
57.03417	1.5
57.07055	1.4
65.03942	10.7
66.04700	1.7
66.20121	1.2
66.62988	1.3
67.05506	9.7
68.99786	2.8
69.03403	3.9
69.07069	6.5
69.87645	7.6
71.04967	4.8
76.16723	1.2
77.03909	1.4
78.04704	2.2
79.05489	17.8
80.06261	2.4
81.03396	3.1
81.07056	13.4
81.42886	1.4
83.04981	3.4
84.59094	1.3
85.02855	2.9
89.03890	1.4
89.28773	1.3
91.05479	100.0
93.03393	2.6
93.07043	15.5
95.04964	19.0
95.08599	13.6
97.06496	1.6
98.20872	1.9
99.04443	6.9
103.05454	21.2
105.03364	3.7
105.07026	37.7
106.04147	3.7
107.04953	7.5
107.08584	10.3
108.05706	8.1
109.06530	6.5
109.10158	6.1
111.04442	1.4
111.08038	1.5
115.05434	11.0
116.06202	3.7
117.07013	7.9
118.04160	10.9
119.04941	64.8
119.08581	19.3
121.02885	6.7
121.06515	11.7
121.10135	6.8
123.04403	12.7
123.08067	12.4
123.11676	5.8
124.40312	1.3
124.82899	1.2
128.06245	8.5
129.06996	14.7
131.04922	7.9
131.08557	9.5
131.60588	1.5
132.02078	1.6
133.02832	2.2
133.06483	10.8
133.10152	7.5
134.03615	3.2
135.04417	14.4
135.08020	5.2
135.11684	1.5
136.05200	19.0
137.05939	5.9
137.09586	4.4
139.03886	1.8
141.06979	4.8
143.08510	2.7
144.05699	6.2
145.06433	4.8
145.10095	2.8
146.03618	18.1
146.07236	5.9
147.04402	49.1
147.08023	11.8
147.11690	16.2
148.05121	4.6
149.02335	43.6
149.05972	13.3
149.09619	13.7
149.13231	2.6
151.03946	2.5
151.07545	23.2
151.11134	1.9
157.03944	3.3
157.06505	3.6
158.07225	3.1
159.04408	1.7
159.08043	3.3
161.05992	8.2
161.09644	9.6
161.13242	6.8
163.03908	13.9
163.07538	83.0
164.04684	49.4
164.07950	2.4
165.05406	3.7
165.06937	1.4
165.12732	1.9
171.11621	4.1
173.05931	4.5
174.03156	14.5
174.06755	31.7
175.03912	18.9
175.07558	6.4
177.05469	3.7
177.09067	7.5
178.07780	1.9
179.07022	37.3
179.08566	3.0
179.10692	3.6
187.11423	1.3
189.05447	3.1
189.09102	42.9
189.12669	4.1
189.16434	3.1
191.03307	3.5
191.08510	2.5
192.04160	23.3
192.09274	6.0
207.02925	2.3
207.04543	3.0
207.06537	75.4
207.10123	90.3
207.11745	7.0
207.13782	13.5
207.17441	6.0
208.10358	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.02367	1.0
53.03952	3.4
54.24158	0.6
55.01870	3.4
55.05495	2.3
56.96558	1.4
57.07062	1.4
65.03935	7.6
67.05509	8.1
68.99786	3.3
69.03429	3.4
69.07046	2.8
71.04989	5.2
77.03918	0.8
78.04707	1.6
79.05488	12.8
80.06276	0.8
81.03413	3.9
81.07050	6.9
83.04980	1.7
83.08620	1.0
85.02905	1.6
85.06527	1.1
89.03909	2.8
90.04691	0.9
91.05476	70.6
92.05814	1.0
93.03381	2.0
93.06541	0.9
93.07047	9.0
94.04188	0.6
95.04968	13.4
95.08600	8.3
97.02920	0.7
97.06518	1.1
99.04436	1.0
102.04733	0.6
103.05466	12.6
105.03376	2.9
105.04542	1.1
105.07028	23.6
106.04172	1.9
107.04942	6.5
107.08598	4.9
108.05726	3.1
109.02879	9.9
109.06496	5.7
109.10168	3.6
111.04446	1.4
111.08076	1.3
114.08952	0.6
115.05453	9.2
116.06235	3.8
117.06997	7.0
118.04159	6.0
119.04941	48.5
119.08566	11.6
120.05747	0.8
121.02872	4.1
121.06499	8.8
121.10139	4.7
123.04424	12.2
123.08060	8.3
123.11698	2.1
127.03927	4.1
128.06216	8.2
129.03372	0.8
129.07004	13.4
130.07837	1.0
131.04924	6.3
131.08554	7.3
132.02036	2.4
133.02855	0.8
133.06483	7.7
133.10121	5.0
133.97403	0.8
134.03607	1.7
135.04416	15.0
135.08029	3.4
135.83107	0.8
136.05200	11.6
137.05968	3.5
137.09608	6.8
137.13242	1.3
139.03946	0.9
141.06982	4.4
143.08536	1.5
144.05701	4.8
145.02814	0.9
145.06497	4.9
145.10146	1.5
146.03635	10.0
146.07254	5.4
147.04408	39.6
147.08058	9.0
147.11700	6.9
148.05182	4.5
149.02336	27.0
149.05981	11.6
149.09605	9.2
151.03897	51.3
151.07527	11.9
155.06053	0.8
157.03967	1.1
157.06447	3.4
158.07281	3.9
159.04424	1.7
159.08038	3.4
161.05986	5.2
161.09605	9.3
161.13252	2.5
162.06778	1.0
163.03923	7.3
163.07535	85.5
164.04681	29.1
164.05762	0.5
164.07849	1.3
165.05432	2.1
165.12737	1.3
167.03320	0.7
169.04903	1.1
171.08069	2.1
171.11659	1.3
173.05997	4.7
174.03152	9.7
174.06760	33.2
175.03903	15.5
175.07503	7.6
177.05475	2.4
177.09079	6.5
179.07042	23.4
179.08543	1.2
179.10652	3.0
180.07242	0.9
189.05490	1.9
189.09105	42.1
189.12718	4.2
189.16425	1.0
191.03404	2.0
191.08467	0.9
192.04178	16.4
192.09244	1.5
207.06551	51.1
207.10149	100.0
207.13739	6.7
207.17430	2.4
208.06773	0.7
208.10471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.62799	1.3
53.03936	1.8
55.01870	6.7
55.05502	3.9
56.01386	2.1
56.96556	7.9
57.03428	1.6
57.07078	2.2
58.07385	1.5
59.05001	6.7
60.04514	2.4
65.03922	1.6
67.05492	3.1
68.05018	3.4
69.03430	8.2
69.68093	9.7
70.02953	13.0
70.06577	3.2
71.04993	26.1
72.04153	2.1
72.04520	36.4
72.08139	2.5
73.02916	29.4
73.06573	2.1
74.02425	2.5
74.06113	1.7
80.05023	1.7
81.03400	6.1
82.06576	2.8
84.04476	1.9
84.08167	1.9
85.02885	3.8
85.06522	2.0
89.03920	1.7
89.06030	17.6
90.05553	100.0
91.05465	4.8
93.07028	2.0
94.06570	1.6
95.04953	3.8
96.08089	2.5
97.02898	2.5
98.02415	13.9
98.06059	3.6
99.04444	16.6
100.03981	14.0
100.07606	4.4
103.05365	1.3
105.07038	2.8
107.04948	5.6
109.02880	2.4
109.05061	1.5
110.06052	11.8
116.03449	20.3
116.05270	1.6
116.07096	4.6
116.98587	1.8
117.05457	3.2
118.06577	1.6
118.08669	2.9
119.04918	3.2
121.02876	1.7
123.04395	2.7
124.07567	2.7
128.03476	1.5
128.07076	61.6
132.04457	2.4
133.06447	1.6
134.05934	1.9
134.99644	2.0
135.04434	2.3
136.07545	1.6
137.02348	1.6
140.07031	3.2
143.07114	1.5
146.03641	2.0
146.05972	1.6
146.08115	12.9
147.04353	2.0
147.55348	1.4
149.02348	4.8
150.02634	6.4
150.05502	2.4
152.07062	1.5
153.05460	1.9
160.04152	2.2
160.07555	3.1
160.09674	11.1
160.10988	2.2
161.01195	1.9
161.05994	2.7
162.05399	1.5
163.03925	4.9
163.09883	1.6
167.06956	1.7
170.08124	24.4
178.04970	34.3
178.08531	3.6
179.07053	1.7
188.09177	66.3
189.09563	2.2
191.14355	3.4
201.00691	2.7
206.04477	13.0
206.08118	7.8
206.10190	12.5
206.11516	9.4
207.02893	1.7
207.06499	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52165	0.2
53.03936	0.3
55.05487	0.3
55.26986	0.2
56.96556	0.2
65.03941	0.4
67.05509	0.4
68.88396	0.2
68.99776	0.5
69.03449	0.2
70.02943	0.8
74.91729	0.2
79.05486	0.4
80.04995	0.3
85.02892	0.2
87.00830	2.2
90.08968	0.2
91.05473	3.9
93.07039	3.3
94.06603	0.2
95.04982	0.8
95.08609	0.3
103.05462	17.1
104.05034	0.3
104.05789	0.2
104.34334	0.2
105.07018	0.6
107.08585	0.5
108.04460	0.4
109.06539	0.2
117.07042	0.3
118.06540	18.9
119.04922	0.4
119.06918	0.2
119.08578	0.3
120.08099	100.0
121.06506	0.4
121.08443	1.8
123.08044	0.3
128.04968	1.9
135.08122	0.2
145.06447	0.3
146.06001	15.9
147.04404	0.4
147.06345	0.4
147.08002	0.2
147.11716	0.5
149.09605	0.8
150.02698	0.3
151.07520	0.3
154.04971	3.3
160.07487	0.3
160.12033	0.2
161.05984	0.6
164.07043	0.4
174.05464	0.2
175.03906	0.3
178.05014	0.2
178.08556	0.2
188.07065	7.8
189.07434	0.3
191.14296	0.3
206.04964	0.2
206.08116	3.3
206.15825	0.2
207.06516	0.4
207.13771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.2
53.03936	0.5
65.03934	0.5
67.05489	0.3
68.99801	0.5
69.03424	0.3
70.02951	0.9
71.46735	0.2
77.03879	0.3
79.05492	0.8
80.05013	0.4
81.07058	0.3
85.02897	0.4
87.00829	1.9
91.05473	3.7
93.07043	3.5
95.04958	0.9
95.08603	0.5
95.58324	0.2
103.05463	16.3
104.05032	0.3
104.05778	0.4
105.07015	0.8
105.54232	0.2
107.08590	0.6
108.04459	0.5
109.06503	0.2
117.05730	0.2
117.07014	0.3
118.06544	18.5
119.04950	0.7
119.08559	0.6
120.08102	100.0
121.06491	0.5
121.08466	1.9
121.10152	0.4
123.08076	0.4
125.68199	0.2
128.04979	2.3
130.06503	0.2
131.08469	0.2
133.06468	0.2
135.08060	0.3
143.08643	0.3
145.06415	0.3
146.06006	16.4
146.10445	0.3
147.04364	0.3
147.11732	0.4
149.02333	0.4
149.09637	0.6
150.02667	0.3
154.05000	3.6
160.07567	0.5
161.05978	0.6
161.13260	0.3
164.07042	0.5
174.05603	0.3
175.03937	0.2
178.08611	0.2
188.07054	7.8
189.09087	0.3
189.12692	0.3
206.04741	0.3
206.08122	3.9
207.06441	0.3
207.13866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05506	13.6
55.25029	1.2
56.96558	4.4
57.07077	13.8
65.03932	11.0
67.05499	16.6
69.03412	2.3
69.07069	19.4
69.46320	12.6
70.98102	1.3
71.08644	2.2
75.88392	1.2
79.05483	13.3
81.07051	35.3
83.08608	7.0
85.02895	3.0
91.05478	26.2
93.03377	2.5
93.07040	38.3
94.07375	2.0
95.04984	3.7
95.08607	31.2
97.02891	4.1
97.10168	5.8
103.05438	1.8
105.07018	10.7
107.04904	1.2
107.08589	39.7
109.06509	1.9
109.10149	23.8
111.04420	2.9
111.11664	1.5
117.06990	1.7
119.04947	14.3
119.08559	5.6
121.02867	12.9
121.03912	2.2
121.06505	4.0
121.10136	47.9
123.08081	1.4
123.11708	14.1
131.08559	4.0
133.10051	2.8
135.08083	1.7
135.11688	24.8
141.06894	1.4
145.06506	1.6
145.10143	5.7
147.11682	1.8
149.02339	100.0
149.05971	52.0
149.07123	2.8
149.13251	42.2
150.02643	2.0
150.06268	2.0
159.11682	3.1
160.42731	1.3
163.07487	1.4
163.11154	2.3
163.14882	5.2
167.03394	3.6
177.12785	4.9
187.11182	1.5
205.04976	4.0
205.08562	3.8
205.12325	11.5
205.14105	5.9
205.15590	6.8
205.19493	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0812
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
52.27211	0.7
52.73453	0.6
53.03959	1.3
54.03480	0.9
55.01857	1.0
56.05032	1.0
56.96561	0.6
57.03436	1.0
57.07057	0.7
65.03933	3.8
67.05501	26.1
68.05016	0.7
68.06295	1.1
69.03436	0.9
69.07066	2.0
69.92529	3.4
77.03937	0.7
79.05489	6.6
80.05014	1.2
81.03429	1.1
81.07067	3.8
82.02920	3.7
82.06543	0.7
84.04520	2.4
84.08161	0.9
85.02913	1.4
87.00818	0.9
89.03936	0.9
91.05479	9.7
93.05802	1.3
93.07038	3.1
94.06586	1.9
94.07401	0.8
95.04960	16.6
95.08614	1.4
96.04485	6.2
96.05767	1.8
97.06544	0.6
98.97623	0.7
103.05457	7.9
105.07028	5.2
106.06564	2.0
107.04984	1.8
107.07338	4.6
107.08621	1.3
108.08121	19.8
108.08871	1.2
110.02397	1.3
110.06041	7.3
115.05467	1.0
116.10561	0.6
117.05774	1.0
117.06964	0.7
118.04156	0.7
118.06557	9.2
118.07349	1.2
119.04940	5.7
119.08553	3.0
120.08102	45.7
121.02871	0.7
121.06507	1.2
122.06039	2.0
122.06847	0.8
122.09649	8.5
123.04420	1.2
123.08082	1.3
124.07628	0.6
131.08463	0.7
132.08089	1.4
133.06480	0.8
133.10118	1.7
134.06018	1.9
135.06784	2.7
135.07956	0.6
135.11790	0.6
143.08629	0.8
145.06407	0.7
146.06003	10.1
146.07077	0.7
146.10539	1.0
147.04382	4.1
147.08035	1.1
147.11702	1.8
148.07512	1.3
149.02336	2.3
149.09610	1.5
150.02681	1.6
150.09134	35.7
151.07542	0.7
154.05013	2.1
160.07539	0.8
161.06047	1.4
161.09666	1.4
161.13271	1.8
163.85506	0.6
167.38622	0.6
171.08046	1.0
174.06836	0.7
175.03894	3.8
178.08624	100.0
179.07066	1.3
179.08928	2.5
188.07060	4.1
189.05481	0.8
189.09048	2.7
189.12732	1.9
191.14294	1.6
191.55334	0.6
192.04192	1.5
206.08113	52.0
206.15396	2.0
207.06508	3.1
207.08418	1.8
207.10197	1.4
207.13809	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.16826	1.1
57.07071	4.5
62.74115	0.8
65.03648	0.8
65.03936	4.5
67.05514	1.2
69.03421	1.2
69.07041	1.0
69.52222	7.8
73.91835	0.7
79.05476	1.0
81.07059	1.9
86.24936	1.0
91.05482	30.7
93.07049	2.7
95.04942	1.2
97.02898	2.5
98.21516	1.7
105.03416	0.8
105.07023	3.0
106.04202	1.4
107.08585	2.2
117.07014	1.1
119.04938	28.4
121.02873	6.2
121.03938	1.3
121.06503	2.5
121.10168	1.5
131.08565	2.0
131.11996	0.9
132.04581	0.8
135.11754	1.1
145.06477	1.2
145.10127	2.4
147.68619	0.9
149.02345	36.7
149.05978	100.0
150.06297	1.0
159.11609	2.2
163.11221	1.0
167.03389	1.0
177.12750	1.6
187.11134	1.3
189.11003	1.3
205.08638	1.8
205.12265	20.7
205.14157	3.1
205.15918	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03928	1.0
53.51307	0.8
55.01858	0.8
55.05515	4.6
56.96539	3.4
57.07078	5.1
60.48658	0.7
65.03930	2.3
67.05507	6.0
69.03414	1.8
69.07049	3.2
71.04992	30.1
79.05501	8.4
81.03407	1.5
81.07056	15.3
83.08595	1.3
84.08137	0.8
85.02900	1.2
85.06559	1.0
88.53526	0.8
91.05481	17.6
93.07040	16.4
95.04976	6.2
95.08054	1.3
95.08607	18.7
97.02901	1.6
97.06517	3.6
97.34970	0.8
99.08107	1.7
103.05458	1.3
105.07028	47.0
107.04966	5.0
107.08588	13.1
109.06507	3.0
109.10146	3.1
111.04468	0.9
111.08054	2.9
113.09634	13.7
114.10098	0.8
115.05419	1.2
116.06184	1.3
116.65092	0.8
117.07003	7.5
119.04913	3.7
119.08572	19.6
121.02851	2.9
121.06506	3.2
121.10142	9.2
123.08058	3.0
125.09672	0.8
128.06186	1.0
129.07028	1.1
130.07779	1.9
131.07590	1.3
131.08568	21.1
133.10118	3.6
135.04399	1.2
135.08037	2.1
135.11671	3.2
137.05858	0.9
137.09596	1.3
141.06999	0.9
143.08531	2.0
145.06474	2.1
145.10117	35.9
147.07996	1.5
147.11684	38.8
149.02338	23.9
149.05980	11.4
149.09586	2.6
154.07755	1.0
159.08076	1.5
159.11694	11.2
161.09669	1.2
161.13274	6.5
163.02721	1.0
163.11154	1.3
163.14825	4.2
167.03404	1.9
169.10132	2.5
177.12708	5.2
178.08798	1.0
187.11180	3.4
187.14813	42.6
188.15100	1.9
190.27417	0.9
205.05016	2.2
205.07346	1.2
205.12564	9.1
205.14377	3.6
205.15869	100.0
206.16203	2.8
222.10918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.02379	0.3
57.07076	0.3
65.03928	1.6
69.28248	0.8
69.28664	1.8
70.22388	0.2
78.04692	0.2
80.49680	0.3
91.05476	31.2
92.05823	0.5
93.07040	0.2
95.04935	0.4
105.03399	0.6
105.07005	0.3
106.04164	0.8
112.54794	0.2
119.04935	31.0
121.06528	0.6
131.08464	0.2
145.10112	0.5
149.05974	100.0
150.06335	1.5
173.09592	0.8
177.12981	0.3
205.12236	15.6
206.12549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
50.15652	0.3
55.97072	0.3
56.76764	0.3
57.07081	0.7
58.99876	0.3
65.03950	1.9
69.87912	0.7
69.88321	1.6
78.04728	0.5
91.05479	32.1
95.04964	0.5
104.57420	0.3
105.06914	0.4
106.04160	0.8
119.04941	28.9
121.02859	0.4
121.06503	0.6
149.02467	2.3
149.05977	100.0
150.06334	1.0
160.49283	0.3
173.09628	0.7
205.12239	16.2
205.15930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
50.30335	0.4
52.69327	0.4
55.05494	0.6
57.07058	1.3
58.09610	0.4
61.79239	0.4
65.03930	2.4
67.05482	1.0
68.29379	0.4
69.07047	0.5
70.20437	2.0
70.43587	0.4
79.05478	1.3
81.07063	1.0
91.05476	29.0
93.07024	1.7
95.04974	1.3
95.08592	1.4
105.07047	1.3
106.04160	1.1
107.08598	0.8
109.10143	0.8
117.06924	0.5
119.04935	28.2
119.08515	0.4
121.02861	1.8
121.03939	0.5
121.06479	0.9
121.10101	0.8
123.11697	0.6
131.08569	0.4
145.10164	1.1
149.02342	10.5
149.05972	100.0
149.13226	1.2
150.06319	0.9
163.11189	0.5
167.03319	0.6
169.96608	0.4
173.09627	0.8
177.12752	0.7
205.12239	18.8
205.14046	1.2
205.15819	1.2
205.19568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
50.04378	0.3
51.02380	0.5
52.78227	0.3
53.03928	0.4
55.01857	0.6
55.05503	1.3
56.94708	0.3
56.96569	1.8
57.03422	0.4
57.07072	3.0
60.95850	0.4
64.40808	0.3
65.03938	4.1
67.05508	1.6
69.03429	0.6
69.07051	1.0
70.25169	1.6
70.25441	0.4
71.04994	0.3
78.04711	0.4
79.05495	2.9
81.07051	1.9
83.04950	0.4
83.08619	0.4
89.03892	0.4
91.05478	37.0
93.03385	1.1
93.07038	2.5
95.04964	2.0
95.08591	1.0
97.02875	0.6
103.05460	1.0
105.03400	0.8
105.07032	2.6
106.04169	1.8
107.04987	1.5
107.08566	1.2
109.02869	0.5
109.06504	0.9
109.10178	0.6
111.04472	0.4
115.05445	1.7
117.06999	2.7
118.06506	0.5
119.04939	31.2
119.08572	1.4
120.05309	0.4
121.02866	2.8
121.03676	0.4
121.03948	0.4
121.06502	2.3
121.10150	1.4
123.04426	0.6
123.11688	0.6
128.06229	0.7
129.07001	0.6
130.07710	0.4
131.01364	0.4
131.04904	0.6
131.08583	2.2
135.04402	1.4
135.08031	1.1
135.11736	0.8
143.08574	0.9
145.06473	2.6
145.10133	3.3
146.05974	1.0
147.04378	0.5
147.08012	0.8
149.02351	15.2
149.05974	100.0
149.13261	0.8
150.06329	1.1
159.04396	0.4
159.08025	0.9
159.11697	2.1
161.05952	0.3
161.09666	0.4
163.07524	2.0
163.11147	0.4
167.03398	8.3
169.10048	0.4
172.05211	1.0
173.06038	0.6
173.09721	0.6
177.09114	2.9
177.12735	1.4
187.07567	1.5
187.11217	1.2
205.04932	0.9
205.08612	8.4
205.12241	23.7
205.14090	1.9
205.15884	1.8
205.19492	0.6
211.06606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
55.01857	0.7
55.05501	2.4
57.07077	8.8
58.72144	0.7
65.03934	7.1
67.05490	2.3
69.03423	0.9
69.07071	3.4
71.58646	1.5
76.04463	0.8
79.05477	2.6
79.51958	0.7
81.07049	5.5
83.08626	1.2
85.02932	0.8
91.05482	30.0
92.05779	0.7
93.03426	1.3
93.07040	7.5
95.04976	1.6
95.08600	3.6
97.02894	1.6
100.02806	0.7
105.07021	2.0
106.04183	0.8
107.08584	6.0
109.02855	0.9
109.06534	0.7
109.10139	4.3
111.04444	1.1
111.06359	0.6
117.06963	1.5
119.04943	29.2
119.08587	1.0
121.02869	10.2
121.03906	1.3
121.06482	3.0
121.10152	7.3
123.11697	1.6
131.08549	1.5
135.08052	1.1
135.11655	3.5
145.10150	3.4
149.02344	72.6
149.05980	100.0
149.13266	5.9
150.02661	1.6
150.06323	1.1
159.11691	1.2
163.11137	1.2
163.14827	1.4
167.03381	4.2
173.05898	0.7
177.12743	2.2
183.17064	0.6
187.14885	0.9
190.04988	1.3
205.08783	1.4
205.12297	17.3
205.14171	4.4
205.15672	5.0
205.19571	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02346	0.7
53.03944	4.1
55.01862	2.8
55.05495	3.8
56.96552	2.6
57.03413	1.0
57.07067	8.5
59.04976	1.5
59.71156	0.8
60.04523	0.7
65.03936	6.9
67.05484	3.3
68.05020	1.4
68.99785	1.0
69.03422	6.8
69.05360	0.8
69.07042	2.0
69.37006	8.2
70.06590	1.1
71.04990	1.5
71.08393	0.7
73.02907	1.5
77.03908	0.9
78.20238	0.7
79.05479	4.3
81.03419	4.6
81.07048	4.7
83.01327	0.8
83.04963	2.4
84.04483	0.9
85.02900	4.8
88.23929	0.7
91.05473	27.1
93.03389	2.8
93.07036	63.0
95.04958	11.0
95.08597	2.1
97.02885	4.5
97.04847	1.0
97.06551	1.0
98.03172	1.2
98.20734	1.9
98.97579	1.6
99.04453	0.9
103.05476	7.7
105.03359	1.3
105.04512	2.1
105.07024	10.8
107.04942	3.9
107.08585	6.9
109.02872	1.8
109.06506	3.1
109.07671	1.2
109.10145	2.4
111.04450	2.9
115.05420	12.1
115.06015	0.8
116.06219	2.4
116.98598	3.4
117.06217	1.5
117.07009	20.2
119.04922	1.8
119.08579	7.1
120.08110	1.9
121.02849	10.0
121.06496	100.0
121.10113	4.6
122.06824	0.8
123.04417	1.1
123.08071	1.8
127.03879	1.9
127.05721	0.8
128.06158	2.1
129.07005	2.2
130.07805	1.2
131.04889	4.6
131.08549	7.9
133.06487	2.3
133.07526	0.9
133.10114	3.2
134.99644	2.9
135.04405	1.9
135.08078	4.6
135.11679	2.3
137.05978	1.8
141.06979	1.1
143.04828	1.1
143.08589	2.0
144.05692	2.5
144.09286	2.8
145.06471	20.7
145.10103	12.0
146.05940	1.4
146.06993	0.9
147.04445	2.1
147.08017	4.2
148.08508	0.9
149.02330	58.3
149.05991	5.8
149.09573	2.8
149.13280	1.3
154.04996	1.8
155.06017	3.0
157.10159	1.3
159.04443	1.7
159.08037	2.8
159.11679	9.1
160.05269	1.0
161.05945	6.2
161.09592	2.5
162.06596	0.8
162.10362	0.8
163.03845	4.1
163.07564	4.4
163.11147	6.0
167.03401	2.2
172.08830	1.2
173.05974	6.1
175.07462	1.1
177.00720	1.2
177.05513	2.9
177.09039	5.9
177.12720	7.5
178.08565	1.0
187.03937	2.6
187.07483	3.8
187.11168	3.4
188.06944	1.3
190.06241	2.8
190.11777	1.0
205.01196	0.9
205.04944	6.3
205.06770	1.5
205.08551	11.0
205.12247	22.0
205.14119	3.2
205.15776	6.7
206.04498	0.9
206.08107	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03928	0.7
55.01858	0.8
55.05507	2.0
55.14411	0.3
56.96560	2.5
57.03403	0.4
57.07076	4.0
60.04502	0.5
60.95840	0.5
63.31569	0.3
65.03935	3.6
67.05505	3.0
69.03407	1.5
69.07049	1.1
70.12182	2.0
71.04972	1.2
78.04700	0.5
79.05139	0.3
79.05494	3.3
81.03397	1.0
81.07049	2.9
83.08613	0.6
84.08126	0.6
85.02887	0.7
85.53128	0.4
91.05479	35.6
92.05795	0.5
93.03393	0.9
93.07056	3.6
95.04984	2.7
95.08590	2.3
97.02888	1.2
97.06511	0.5
100.07588	0.6
103.05491	0.6
105.03355	0.5
105.07030	5.2
106.04183	0.9
107.04936	2.2
107.08591	2.5
109.06505	1.2
109.10138	0.7
111.04447	0.5
111.08123	0.5
113.09655	0.5
115.05445	1.1
116.06261	0.5
117.07031	3.0
119.04941	29.6
119.08589	2.3
121.02865	3.8
121.03964	0.9
121.06512	3.4
121.10134	2.2
123.04467	0.5
128.06232	0.7
128.07100	0.5
129.06990	0.9
130.07741	0.5
131.04904	0.7
131.08566	4.0
133.10141	0.4
135.04431	4.2
135.08038	1.0
135.11734	0.9
137.09544	0.4
141.06995	1.1
144.09334	0.5
145.06500	1.3
145.10110	6.5
147.08017	0.6
147.11682	1.8
149.02350	19.3
149.05978	100.0
149.13210	0.6
150.06345	1.3
155.06061	0.5
159.08063	1.8
159.11690	3.0
161.09589	0.7
161.13274	0.5
163.03940	1.1
163.07532	1.5
163.11203	0.9
163.14830	0.4
167.03410	1.9
169.10120	0.9
172.08943	0.5
173.06087	0.3
173.09666	1.0
177.05412	0.4
177.09106	1.6
177.12721	2.7
187.03999	0.5
187.07637	1.4
187.11113	2.1
187.14810	2.1
189.10950	0.5
190.11772	0.6
205.05000	1.4
205.08650	5.2
205.12267	21.1
205.14134	2.3
205.15820	7.2
205.19743	0.5
206.12411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
52.68318	0.7
57.07060	1.1
59.17146	0.7
62.15052	0.7
63.77053	0.8
65.03930	0.9
68.43169	0.8
71.32568	1.8
74.02438	1.8
77.15847	0.7
81.03413	0.8
91.05482	3.2
94.63206	0.9
103.05509	1.2
107.08665	0.8
115.05470	4.1
117.05810	1.6
117.07029	2.6
118.06544	56.8
130.06523	3.1
132.08092	10.5
142.06517	6.7
143.07301	7.6
144.08086	23.6
144.09224	1.3
146.06007	100.0
147.06340	1.2
149.02321	6.1
159.09187	8.0
160.07603	1.8
163.05743	1.1
170.05997	7.2
188.07066	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
55.01863	1.1
55.05509	0.8
56.05011	0.4
56.96567	3.4
57.03435	0.6
57.07070	4.7
57.91774	0.4
59.83082	0.4
60.04510	1.6
61.02920	0.7
63.55528	0.4
65.03934	2.8
67.05511	0.4
68.05014	1.0
69.03419	1.8
69.05367	0.6
69.07057	0.5
71.06808	0.9
72.08149	0.4
73.02904	0.7
79.05501	1.2
81.03412	2.3
81.07034	0.9
83.04957	0.9
84.03679	0.4
84.04515	1.0
85.02911	2.7
85.04853	0.5
88.03983	1.2
91.05480	3.7
93.03400	0.8
93.07038	2.0
95.04968	1.3
95.08591	0.9
97.02910	2.5
97.04836	0.9
98.03213	1.4
98.97567	1.0
99.04465	1.0
103.05476	1.4
105.03395	0.5
105.07041	5.3
107.04953	1.1
107.08562	1.0
109.02879	1.6
111.04444	1.5
114.05531	1.1
115.05433	10.1
116.98659	1.2
117.05775	4.7
117.07018	2.2
118.06540	2.5
119.04965	1.2
119.07328	17.1
119.08617	1.2
120.08114	0.9
121.02870	5.2
121.04021	0.7
121.06493	2.8
121.10143	1.0
123.04401	0.5
127.03892	0.8
127.05869	1.0
129.07048	0.5
130.06537	1.5
131.04939	1.8
131.07524	0.5
131.08530	2.0
132.04424	1.0
132.08093	31.4
133.02864	1.2
133.08418	0.6
133.10104	0.5
134.99651	1.9
135.08055	0.7
135.11658	0.9
137.05963	1.2
138.99046	0.4
142.06526	8.0
144.08017	0.5
145.06523	1.8
145.10130	2.6
146.05992	1.3
146.99689	1.2
147.04367	0.6
147.08017	0.7
149.02347	28.4
149.05974	2.3
149.09627	0.5
149.13258	0.8
150.05487	0.4
159.04445	1.1
159.09180	100.0
160.07578	1.9
160.09550	2.3
161.05959	0.7
162.10345	0.5
163.03879	1.0
163.11136	0.8
164.07117	0.6
167.03409	1.1
169.06676	0.8
177.00708	0.5
177.05565	2.3
177.12735	3.3
178.04990	6.1
187.03961	0.6
187.07538	0.6
188.07143	0.4
205.04961	1.7
205.09924	6.3
205.12363	2.7
205.14159	1.1
205.15800	2.5
206.04507	2.0
206.11740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.143
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.88220	0.9
53.03935	1.9
55.01865	2.2
55.05510	8.7
59.78487	0.8
60.04520	1.5
65.03923	2.3
67.05500	14.3
68.05019	2.6
69.07056	4.7
70.30059	3.9
79.05493	21.4
81.03404	0.9
81.07052	23.6
83.04975	1.2
83.08618	10.8
84.04502	5.1
85.02903	1.0
91.05476	66.2
92.05804	1.3
93.07039	9.5
95.04950	4.0
95.08607	8.4
96.04473	3.0
97.02878	3.9
97.06524	3.0
97.10182	1.4
99.08083	6.8
99.63422	0.8
100.71552	0.9
103.05461	8.1
105.07027	24.6
107.04947	8.8
107.08597	4.6
109.06570	1.1
109.10144	1.9
110.06049	0.8
111.08085	1.5
114.05506	2.6
114.43134	0.8
115.05469	5.4
117.07011	45.2
119.08574	18.0
119.09377	1.8
121.06512	14.5
121.10143	3.1
123.08044	2.6
125.09613	1.9
126.05513	3.8
128.06221	9.2
128.19269	0.9
129.07001	23.6
131.08563	9.7
133.06435	1.3
133.10138	7.0
135.08063	2.7
138.05482	1.0
142.07774	2.4
143.07486	1.7
143.08553	23.1
144.06558	1.3
145.06448	1.0
145.10120	2.3
147.08037	2.7
147.11682	4.4
147.12686	1.0
157.10124	6.4
159.11674	5.5
161.09573	2.3
161.13274	2.3
171.08032	2.4
173.06055	1.2
175.11154	2.1
175.14790	4.8
185.09622	1.0
185.13280	14.6
189.11456	1.7
203.07033	1.6
203.10582	4.1
203.14302	100.0
204.08607	1.8
204.13910	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1429
Annotation	Anisoxide
Peak:m/z	Relative Intensity
53.03940	0.5
55.01872	0.6
55.02088	0.1
55.05507	1.0
56.96557	1.0
57.03420	0.5
60.04519	0.3
61.02900	0.1
65.03919	0.3
67.05183	0.2
67.05503	2.9
68.05005	0.6
69.03422	0.2
69.06771	0.1
69.07069	1.3
69.78758	0.9
71.04978	0.2
77.03916	0.2
79.05489	4.0
81.03412	0.2
81.06580	0.2
81.07051	3.9
83.04969	0.3
83.08589	0.3
84.04477	0.6
85.02932	0.3
91.05475	7.1
93.06479	0.2
93.07041	3.8
95.04960	1.3
95.08608	2.6
96.04472	0.6
97.02918	0.7
97.06515	0.4
98.05991	0.2
99.08095	0.2
100.02470	0.1
103.05468	0.8
103.06055	0.1
105.03413	0.1
105.07024	8.5
106.07357	0.2
107.04937	0.5
107.08588	1.5
109.06509	0.4
109.10137	0.5
111.08057	0.2
114.05521	0.6
115.05431	1.0
116.04967	0.2
116.06239	0.2
117.06216	0.3
117.07007	3.7
118.03511	0.1
119.04927	0.5
119.08575	4.7
121.06499	5.1
121.10128	0.5
123.04448	0.3
123.08064	0.6
126.05499	0.8
126.69731	0.1
128.05252	0.3
128.06215	5.3
129.07021	3.2
130.04601	0.1
131.04895	0.2
131.08560	2.5
133.06462	0.5
133.10127	2.3
135.08069	0.9
141.06984	0.5
142.07785	1.1
143.08553	7.6
144.06613	0.2
144.09207	0.4
145.06454	0.8
145.10141	1.0
147.04346	0.2
147.08037	1.7
147.11670	1.3
149.05994	0.4
149.09535	0.2
155.06090	0.2
155.08549	0.3
156.09341	0.2
156.86591	0.1
157.06461	0.1
157.10130	1.7
159.08022	0.5
159.11665	1.5
160.08820	0.2
161.02286	0.2
161.05988	0.6
161.09581	0.9
161.13243	0.6
170.10892	0.2
171.08038	6.9
172.03934	0.4
172.08429	0.4
173.05986	1.2
173.09596	0.5
175.07545	0.5
175.11206	0.6
175.14806	1.4
182.07791	0.2
185.09648	1.6
185.13240	3.1
186.13530	0.2
188.08316	0.5
188.10579	0.2
189.11519	0.2
203.07101	1.4
203.10646	5.9
203.14301	100.0
204.08690	0.3
204.10843	0.2
204.14774	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.143
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03932	0.4
55.01862	0.7
55.05505	2.2
56.96560	0.6
57.03431	0.7
57.07081	0.5
59.05003	0.4
60.04519	0.9
65.03928	0.9
67.05499	4.1
68.05025	0.9
69.07065	1.3
70.06580	0.3
71.04995	0.4
71.58217	0.5
79.05062	0.7
79.05489	5.8
81.03410	0.6
81.07053	5.5
83.04984	0.4
83.08612	1.1
83.13528	0.3
84.04483	1.5
88.45043	0.3
89.03885	0.4
91.04903	0.7
91.05474	14.7
93.03478	0.3
93.07042	4.4
95.04964	2.6
95.08591	3.1
96.04484	1.9
97.02877	2.0
97.06491	0.4
99.04401	0.4
99.08085	0.4
100.02459	0.5
103.05466	1.8
105.07021	11.4
107.04932	1.5
107.08572	1.5
109.06499	1.2
109.10132	0.7
110.06034	0.6
114.05506	1.6
115.05463	2.5
117.07023	7.7
118.03485	0.5
119.04961	1.8
119.08582	6.6
120.96500	0.7
121.06496	5.5
121.10115	1.2
122.06802	0.4
123.04462	2.0
123.08052	1.0
126.05508	1.5
128.06218	23.8
129.07031	5.9
130.07814	0.3
131.08551	3.2
133.06473	1.1
133.10124	2.7
135.08018	1.1
141.06978	1.5
142.07751	2.8
143.08556	27.8
144.08910	0.8
145.06462	3.5
145.10132	2.0
147.04405	0.4
147.08089	2.0
147.11716	1.9
149.05956	1.5
155.06036	1.4
155.08557	1.1
157.06464	0.6
157.10106	2.1
159.04402	0.5
159.08066	1.0
159.11674	1.6
160.08807	0.9
161.02370	0.7
161.06030	0.6
161.09586	1.6
161.13284	0.8
162.03131	0.4
163.03886	0.4
170.07278	0.5
170.10950	0.4
171.08043	35.8
172.08589	1.8
173.05994	6.7
173.09621	2.4
175.07480	0.9
175.11134	0.7
175.14799	1.9
179.14317	1.0
185.09621	6.7
185.13214	4.1
186.09969	0.5
188.08290	1.5
188.10730	0.7
189.11473	0.8
203.07021	2.3
203.10704	17.7
203.14301	100.0
204.08636	0.7
204.10945	0.5
204.14156	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1428
Annotation	Ligudentatol
Peak:m/z	Relative Intensity
53.03939	0.5
55.01860	0.3
55.05494	1.0
55.80392	0.2
56.96550	0.7
63.49486	0.2
67.05499	2.7
67.49551	0.2
69.07049	0.8
69.94976	1.3
70.12572	0.3
71.04971	0.2
79.05489	3.6
81.07052	3.2
83.04963	0.3
83.08591	0.3
91.05473	6.1
93.07031	3.9
94.42785	0.2
95.04954	0.8
95.08604	2.1
98.20806	0.3
99.08051	0.4
103.05431	0.4
105.07025	8.2
107.04929	0.5
107.08556	1.1
109.10158	0.3
115.05450	0.5
117.07011	2.4
119.08572	4.2
121.06502	4.8
121.10140	0.5
123.08051	0.4
126.05478	0.3
128.06187	1.8
129.06995	2.5
130.07545	0.2
131.08548	2.8
133.06499	0.4
133.10109	1.8
135.08015	1.1
141.06975	0.3
142.07719	0.7
143.08551	4.5
144.09311	0.4
145.10120	0.9
147.08037	1.2
147.11676	0.8
152.05959	0.3
157.10062	1.1
159.08202	0.3
159.11664	1.4
161.09596	0.7
161.13245	0.4
170.10921	0.4
171.08037	0.5
175.14819	1.1
185.13246	3.4
203.14299	100.0
204.14687	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.0
55.05506	47.1
56.46999	4.2
60.04512	8.3
67.05491	12.9
68.05015	10.3
69.03436	7.0
69.07067	13.8
71.32200	10.4
75.57074	4.2
78.26662	3.8
79.05484	42.3
80.79237	4.6
81.07055	31.0
83.04940	5.3
83.08613	30.7
84.04501	15.1
89.72971	5.4
91.05469	77.7
93.07053	20.0
95.04984	4.7
95.08604	21.4
96.04490	9.5
96.92815	5.2
97.02885	18.0
97.10166	41.0
103.05476	10.4
105.07018	49.0
107.04985	13.7
107.08590	19.0
109.06489	7.5
109.10140	10.8
114.05512	8.8
115.05418	5.7
117.06999	39.5
119.08558	32.6
120.80527	4.2
121.06506	15.1
121.10146	6.1
125.09621	33.3
126.05485	12.1
128.06226	36.2
129.06998	24.2
131.08540	12.9
133.10126	17.7
135.08086	6.7
142.07774	6.0
143.08563	44.2
145.06508	9.2
145.10101	9.2
145.98889	5.0
147.11693	21.5
157.10133	11.3
159.11699	6.4
161.09677	7.5
161.13368	7.9
170.10938	5.7
171.08073	33.5
171.65112	4.4
173.06049	6.1
175.11266	4.5
175.14882	6.7
180.58879	4.6
185.09651	9.0
185.13269	15.6
203.03401	5.8
203.10754	30.0
203.12444	10.1
203.14288	100.0
203.17973	15.4
204.08699	6.9
204.13853	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
50.92340	0.7
52.27119	0.7
55.05494	2.5
56.96557	2.5
57.07070	4.1
58.07400	2.0
59.05006	1.9
62.06062	2.7
63.40007	0.8
65.03929	1.1
67.05486	3.3
69.07062	1.4
71.04978	0.9
71.31961	1.6
72.08953	0.9
79.05478	4.7
79.93957	0.8
81.07041	3.8
84.04492	1.2
91.05466	10.9
93.07030	3.3
95.04963	3.6
95.08617	7.1
96.04501	1.3
97.02874	2.6
102.18433	0.8
103.05457	2.3
105.07025	11.4
107.04914	1.4
107.08591	3.1
109.06546	1.3
109.10133	3.1
114.05493	0.9
115.05466	5.2
117.07007	5.3
119.04919	5.5
119.08584	9.2
119.14275	1.0
120.54292	0.9
121.06470	2.3
121.10183	2.0
123.04420	4.6
123.11682	1.2
126.05491	2.0
127.05397	1.0
128.06215	65.8
129.07031	6.7
130.07755	1.1
131.04886	1.1
131.08531	1.9
133.06499	2.0
133.10112	6.2
141.06956	4.4
142.07777	7.2
143.08553	69.6
144.05591	1.0
144.08908	1.9
145.06465	8.3
145.10100	3.6
145.38069	0.8
147.04335	1.6
147.08051	1.5
147.11685	4.3
149.03362	0.9
149.05931	4.3
155.06049	3.3
157.06459	1.6
157.10130	3.3
158.07260	1.9
159.08031	1.5
160.05148	1.4
160.08846	1.6
161.02341	2.5
161.05963	1.5
161.09618	1.9
161.13235	2.2
162.06940	0.8
170.07239	1.5
171.08040	100.0
172.08568	3.3
173.05972	20.7
173.07367	1.7
173.09584	5.3
174.06755	0.9
175.07530	2.6
175.11147	2.3
175.14790	1.3
185.06004	1.0
185.09599	22.1
185.13208	1.6
185.20906	2.3
188.08281	4.4
203.07109	6.8
203.10654	52.7
203.14323	12.8
203.17972	5.4
203.21996	21.4
204.10866	1.3
204.13811	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
55.05520	1.0
56.96562	1.3
59.04977	1.7
67.05486	1.5
69.70199	2.9
69.70630	3.4
73.65942	0.8
79.05482	1.4
81.07068	1.6
91.05474	10.1
93.07066	1.2
95.04947	2.1
97.02881	1.3
101.53154	1.0
103.05434	1.7
105.07043	5.3
107.00494	0.8
115.05438	5.1
117.07001	4.5
119.04918	3.8
119.08563	2.1
121.06472	1.7
123.04440	4.7
128.06218	57.4
129.07050	4.9
130.07663	1.0
131.08542	1.1
133.10129	0.9
141.06969	3.9
142.07748	5.7
143.08553	65.0
144.08850	1.3
145.06448	8.3
145.10138	2.9
149.05963	4.9
155.06012	1.8
155.08444	1.0
157.06506	1.2
157.10135	1.1
158.07315	1.7
159.04453	1.5
159.08003	1.5
160.08868	1.4
164.35973	0.9
171.08040	100.0
172.08665	3.1
173.05960	18.1
173.09590	4.7
175.07585	1.0
175.11180	2.0
185.09605	22.6
187.07547	0.9
188.08334	3.3
203.10652	50.7
203.14178	7.2
203.18065	1.1
204.10956	1.0
204.13701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03939	0.9
55.01863	1.1
55.05503	2.1
56.96576	0.7
57.03421	0.6
59.04987	1.9
60.04519	0.6
65.03930	1.4
67.05496	4.4
68.05011	0.5
69.03412	0.5
69.07057	1.6
71.42525	0.8
79.05484	5.7
80.02625	0.7
81.03394	0.6
81.07049	5.2
83.04957	0.5
83.08599	1.0
84.04480	1.2
90.89876	0.4
91.05477	16.3
93.07043	3.7
95.04957	3.6
95.08597	2.8
96.04495	0.6
97.02869	1.0
97.06507	0.6
97.72161	0.4
99.08096	0.8
100.02475	0.5
103.05463	3.1
105.07027	13.7
107.04942	1.5
107.08585	1.5
107.66821	0.4
109.06518	1.0
109.10081	0.7
114.05502	1.4
115.05441	5.7
117.07009	10.3
118.03515	0.7
119.04953	4.2
119.08578	5.2
121.06506	5.5
121.10168	0.5
123.04421	5.3
123.08063	0.7
125.82829	0.4
126.05505	1.1
127.05448	1.2
128.06216	66.9
129.07042	8.0
130.07791	1.6
131.04903	1.1
131.08563	3.4
133.06470	1.0
133.10135	2.6
135.04431	0.5
135.08057	1.3
141.06978	5.0
142.07779	7.3
143.08551	69.5
144.05634	0.9
144.09047	0.8
145.06482	8.2
145.10124	4.3
146.07243	0.9
147.08080	2.2
147.11681	1.7
149.05977	4.7
153.06964	0.6
155.06056	3.1
155.08545	2.1
157.06514	1.0
157.10126	2.1
158.07291	1.0
159.04387	1.0
159.08018	1.5
159.11693	1.1
160.05208	0.8
160.08797	2.3
161.05986	0.8
161.09604	1.0
161.13271	0.5
163.03996	0.5
170.07288	1.2
170.10867	0.5
171.08041	100.0
172.08676	3.3
173.05975	17.8
173.09583	4.9
175.03891	0.6
175.07501	1.0
175.11194	1.8
175.14780	1.3
179.14189	0.9
185.09615	20.9
185.13206	3.2
186.09836	0.4
188.08330	4.4
189.11566	0.5
203.03377	0.6
203.07133	3.2
203.10669	45.3
203.14296	92.5
204.08745	0.4
204.10976	1.3
204.14130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Tremetone
Peak:m/z	Relative Intensity
55.01865	1.1
55.05495	1.0
56.53723	0.7
56.96555	2.2
59.04983	1.7
59.68556	0.8
62.20506	0.8
67.05486	2.6
69.36169	7.8
73.70188	0.7
75.62076	0.7
79.05486	2.6
79.65446	0.7
80.66785	0.7
81.07045	1.8
88.24732	0.7
91.05475	11.5
93.07015	1.4
95.04955	2.2
95.08578	1.8
100.01403	0.9
103.05431	2.4
105.03361	1.8
105.07021	5.8
108.37493	0.8
115.05447	5.0
117.07000	3.5
119.04942	4.8
119.08555	2.0
121.06504	2.1
123.04428	3.7
125.15775	0.8
128.06218	55.0
129.07040	4.1
130.07788	1.3
131.04938	0.9
141.06984	2.8
142.07771	4.1
143.08559	62.7
144.08997	1.3
145.06482	9.3
145.10089	1.5
147.11691	1.2
149.05986	5.6
155.06026	3.6
155.08627	0.8
157.10112	1.1
158.07231	1.6
159.08112	1.2
159.28969	0.9
160.08830	1.2
161.09602	1.2
170.07236	1.7
171.08049	100.0
172.08571	3.0
173.05991	15.0
173.09590	5.2
175.07523	1.1
183.08632	1.1
185.09613	22.3
185.13214	1.1
186.03857	0.8
188.08386	4.0
203.06967	1.7
203.10664	45.0
203.14270	4.9
203.17943	0.9
204.13876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27642	0.4
55.05531	0.4
59.04998	1.8
65.03941	1.0
67.05505	1.1
67.07190	0.4
69.84975	1.0
69.85390	1.5
79.05507	1.4
80.02619	0.8
91.05486	7.2
95.04980	3.0
103.05466	1.6
103.38956	0.4
105.07040	3.4
107.04972	0.5
109.72144	0.4
115.05456	4.2
116.06309	0.4
117.07048	3.3
119.04939	4.0
119.08600	0.9
121.06476	0.9
123.04421	5.3
127.05466	1.4
128.06221	68.5
129.07079	4.0
130.07791	1.3
131.04942	1.1
131.08519	0.6
133.06532	0.6
135.08157	0.5
141.06989	5.2
142.07768	5.7
143.08559	68.0
144.05711	1.2
144.08929	1.0
145.06479	9.2
145.10081	2.1
147.04448	0.6
147.08014	0.5
149.05991	6.6
153.06931	0.6
155.06044	2.7
155.08571	1.7
157.06430	0.9
157.60970	0.4
158.07251	1.2
159.04456	1.5
159.08040	1.4
160.08853	1.8
161.05942	1.2
161.09656	0.5
170.07343	1.3
171.08047	100.0
172.08527	3.0
173.05988	18.8
173.09579	4.5
174.06552	0.5
175.07440	0.6
175.11166	0.8
185.09612	21.1
186.09958	0.8
188.08327	4.0
203.10663	45.3
203.22049	0.6
204.11012	1.4
204.13974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03949	1.0
55.01883	1.1
55.05512	3.1
56.96561	6.5
57.07062	0.6
59.04998	1.3
60.07376	0.5
65.03934	1.4
67.05496	4.6
69.03467	0.9
69.07075	2.6
69.52736	5.1
75.14878	0.6
79.05490	4.6
81.07047	3.5
83.04987	0.7
83.08574	0.8
84.04504	1.5
91.05475	13.2
93.07039	3.4
95.04960	4.1
95.08606	3.0
96.04469	2.0
97.02897	1.8
98.21494	0.7
100.02479	0.8
103.05474	2.4
105.07025	10.6
107.04945	1.1
107.08590	1.7
109.06512	1.2
109.10118	1.2
114.05561	0.7
115.05440	6.4
117.07011	6.0
119.04951	4.8
119.08584	6.0
120.01134	0.5
121.06508	3.0
121.10139	0.9
123.04436	4.9
126.05492	1.3
128.06219	72.2
129.07037	6.8
130.07803	1.3
131.04945	0.8
131.08553	2.1
133.06493	6.5
133.10120	2.7
135.08058	1.2
141.06982	4.7
142.07768	7.6
143.08557	70.9
144.05635	1.1
144.08954	1.5
145.06473	9.3
145.10098	3.6
146.07213	0.7
147.04402	0.8
147.08061	2.8
147.11682	2.1
149.05983	5.2
153.07005	1.1
155.06082	2.8
155.08578	1.5
157.06458	1.0
157.10123	2.3
158.07278	1.1
159.04430	1.1
159.08084	1.6
159.11723	1.2
160.05202	1.0
160.08813	1.6
161.02342	0.9
161.05988	1.3
161.09604	1.8
161.13239	0.9
170.07243	1.1
170.10901	0.6
171.08044	100.0
172.08627	3.5
173.05981	16.6
173.09613	4.5
175.07556	1.5
175.11195	2.3
175.14796	1.0
185.09607	21.6
185.13203	3.4
187.07599	0.8
188.08334	4.4
192.04138	1.3
203.03445	0.8
203.07053	5.7
203.10663	46.2
203.14305	21.6
203.17650	1.2
204.08667	0.8
204.11015	1.3
204.13792	2.8
205.76036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Ligujapone
Peak:m/z	Relative Intensity
54.17173	0.9
55.01863	1.9
55.05504	3.8
56.96296	0.9
56.96566	14.1
57.03411	1.1
57.07071	1.0
59.04982	1.3
60.04510	1.4
67.05504	7.4
68.05025	1.3
69.07063	2.2
71.57658	1.1
79.05486	6.0
79.93287	0.7
81.07041	5.4
83.04952	1.6
83.08621	1.2
84.04506	2.4
85.02901	0.9
89.03893	0.8
91.05482	13.9
93.07060	4.9
95.04974	4.0
95.08611	4.3
96.04463	2.4
97.02876	1.9
100.74107	0.8
103.05463	2.2
105.03387	1.7
105.07032	8.8
107.04940	1.6
107.08601	2.6
109.06490	1.6
109.10132	2.2
114.05538	2.1
115.05473	4.3
117.07018	4.3
119.04945	4.2
119.08590	6.8
121.06482	2.5
121.10121	1.7
123.04438	4.2
126.05519	2.2
127.05434	0.9
128.06219	45.9
129.07042	6.9
130.07790	1.3
131.04930	1.7
131.08527	2.1
132.05708	1.0
133.02859	4.4
133.06477	2.4
133.10110	2.1
135.04405	0.7
135.07994	0.8
141.06970	3.6
142.07776	5.5
143.08562	57.3
145.06465	6.5
145.10133	5.3
146.07254	0.8
146.99644	1.4
147.04445	1.5
147.08057	4.3
147.11668	3.0
149.01221	3.2
149.05988	3.2
151.03896	1.3
155.06041	2.2
157.06474	2.0
157.10141	3.8
158.07346	1.0
159.08069	1.4
159.11641	2.1
160.05196	1.3
161.02333	2.6
161.05922	1.7
161.09605	2.5
161.13268	1.1
162.03081	1.7
162.21678	0.8
163.03891	3.5
167.02271	1.3
170.07256	1.1
170.10989	1.1
171.08049	100.0
172.08600	2.9
173.05980	12.7
173.09650	5.6
175.03880	1.9
175.07547	2.8
175.11143	1.6
175.14807	1.2
182.07750	1.6
185.06067	2.0
185.09622	21.0
185.13246	1.6
188.08310	4.0
188.10722	1.1
189.11490	1.1
192.09056	1.0
203.07040	12.3
203.10657	61.9
203.14299	11.3
203.17950	2.3
204.08868	1.3
204.10970	2.9
204.13809	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
54.39048	0.9
55.01867	2.1
55.05507	10.4
56.96542	3.4
59.04982	2.2
67.05491	2.5
69.03408	1.4
69.32205	1.8
69.32606	10.3
71.05026	1.0
79.05474	3.4
81.07031	3.3
83.04939	1.2
84.04499	2.3
91.05474	13.8
93.07011	3.4
93.33656	0.9
95.04946	2.2
95.08591	2.3
97.02853	1.5
100.91115	1.0
103.05428	2.7
105.07030	8.5
106.61143	0.9
107.04922	1.3
107.08604	2.5
109.10171	1.2
115.05454	5.7
117.07021	5.7
119.04922	4.9
119.08564	6.4
121.10159	1.4
123.04404	6.0
126.05528	2.2
127.05403	1.0
128.06219	67.8
129.07033	8.5
130.07791	1.4
131.08574	2.0
133.06505	1.0
133.10089	3.4
141.06947	3.6
142.07762	7.7
143.08556	68.6
144.09000	1.1
145.06479	12.2
145.10066	4.1
146.07301	1.0
147.04359	1.6
147.08022	2.7
147.11679	3.0
149.02345	6.9
149.06001	6.4
155.06021	3.4
157.10051	2.6
158.07225	1.1
159.04428	1.9
159.08015	2.2
160.05078	1.3
160.08806	3.2
161.05966	1.5
161.09557	1.4
170.07201	1.1
171.08038	100.0
172.08699	3.6
173.05983	16.4
173.09613	4.5
175.07487	3.9
175.11137	2.8
185.06030	1.2
185.09595	18.5
185.13206	1.5
188.08305	4.3
190.40642	1.0
196.14082	1.4
203.07011	5.5
203.10654	51.7
203.14282	5.2
203.17938	3.5
203.21945	5.0
204.11046	1.1
204.13928	4.7
206.65155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1436
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
55.01855	2.1
55.05499	2.3
56.05017	2.9
57.03404	1.1
58.06580	1.5
67.05495	6.6
67.98861	0.7
69.07069	4.3
69.91329	3.9
69.91738	0.7
70.06593	9.8
71.04981	6.2
71.06103	1.4
74.06071	5.7
79.05493	5.0
81.07053	16.2
82.06579	6.0
83.04980	0.8
84.04510	1.0
84.08143	1.4
85.06529	1.8
88.08184	0.7
91.05463	1.2
93.07024	6.3
94.06593	0.8
95.08598	2.5
96.08113	3.2
98.06053	5.4
98.09676	2.0
98.20829	0.8
99.04404	0.9
102.09214	0.7
105.07028	1.4
107.08591	6.7
108.08138	1.0
109.06488	2.7
110.09672	7.7
112.07688	0.9
119.01739	0.7
120.08071	2.1
121.10126	1.5
122.09665	21.9
123.10439	1.0
123.11698	3.0
124.07668	1.3
127.18422	0.8
131.08524	2.7
136.11205	2.7
138.09102	2.1
138.12772	37.1
139.13158	1.0
142.08629	1.9
142.12265	1.6
142.99547	0.6
146.09621	1.0
148.11195	19.4
149.09612	4.0
158.16301	0.7
166.12271	81.6
184.13315	23.5
185.13492	0.7
202.14368	100.0
203.14809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1438
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
55.01871	1.2
55.05512	2.7
56.05030	3.2
57.03453	1.2
58.06594	0.6
59.57330	0.7
67.05507	7.0
69.07064	5.5
70.06592	4.7
71.04987	7.7
71.30897	1.0
74.06078	6.7
79.05483	6.7
80.05020	1.0
81.07057	17.4
81.72851	0.6
82.06581	2.5
84.04511	1.1
84.08158	1.8
85.02897	0.7
88.23959	0.6
91.05487	1.3
93.07040	5.5
94.06642	0.8
95.04987	0.8
95.08616	3.0
96.04547	0.9
96.08134	2.9
98.06065	8.1
98.09705	0.9
105.07028	1.5
107.08585	8.5
109.06527	1.8
110.09683	7.3
112.07583	0.7
114.24268	0.7
120.08118	0.7
121.10135	2.8
122.09669	22.8
123.11726	4.0
124.11267	0.6
125.09648	1.3
130.06578	0.9
131.08592	2.5
132.10201	0.6
136.11212	2.7
138.09163	1.9
138.12775	31.2
141.14024	0.6
148.11201	25.9
148.70973	0.6
149.09644	3.8
156.10153	1.4
157.07600	0.7
166.12274	96.6
167.12646	1.2
184.13336	22.8
202.14374	100.0
203.14705	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0701
Annotation	Frustulosin
Peak:m/z	Relative Intensity
53.00291	0.4
53.03941	0.6
54.27795	0.3
55.01872	2.3
55.05507	0.8
56.96563	1.0
57.03432	1.1
65.03923	2.1
67.05496	1.6
68.99781	0.5
69.07078	0.5
69.47409	0.8
69.47840	1.7
72.11462	0.3
77.03922	2.4
78.04720	0.4
79.05493	5.4
81.03402	0.5
81.07059	8.1
85.02901	0.3
89.03918	0.4
91.05477	15.4
93.03397	1.2
93.07045	2.2
95.01334	3.8
95.04958	1.4
95.08606	1.4
97.02886	0.3
102.99957	0.3
103.05453	2.2
104.06251	1.2
105.03386	8.6
105.04502	0.4
105.07029	6.4
107.01343	0.3
107.04945	2.8
107.08587	1.5
109.06514	7.2
109.10185	0.4
110.29724	0.3
114.05616	0.3
115.05436	2.8
116.06228	0.9
117.03365	0.5
117.07019	4.3
119.04953	2.2
119.08572	9.4
120.02074	0.7
121.02856	2.2
121.06480	1.5
121.10119	0.6
123.00791	2.1
128.06218	7.6
129.07001	10.9
131.01291	1.3
131.04915	1.3
131.08572	1.9
132.05699	3.5
133.02850	5.2
133.06479	2.2
133.10123	1.1
135.04411	1.1
135.08028	0.6
140.04749	0.4
141.06960	0.9
142.07765	0.8
143.08548	2.1
144.05702	2.2
145.02803	0.8
145.06468	1.0
145.10139	0.7
146.03490	0.3
147.04396	2.1
147.08038	17.0
147.11650	0.9
148.08475	0.4
149.01160	0.4
149.02335	7.8
151.03897	9.1
153.05428	0.3
155.06032	0.6
157.06480	3.6
157.10135	0.9
158.07259	0.5
159.04436	0.5
159.08037	0.7
159.11591	0.7
160.05185	3.8
161.02335	41.1
161.05966	12.5
162.02705	0.6
163.03891	6.9
167.03392	19.2
170.10925	0.4
171.08063	2.5
173.05977	0.4
173.09570	0.3
174.03133	0.3
175.03920	9.1
175.07539	7.7
175.11098	0.3
175.14836	0.6
179.03339	1.6
185.05968	15.0
185.09560	0.9
185.13219	0.6
188.04680	2.0
192.04160	0.7
193.04965	0.6
193.08617	0.7
201.05511	0.5
203.07021	100.0
203.14310	19.2
204.07314	1.6
206.05743	0.9
221.08163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03931	1.9
55.05513	11.1
56.96558	1.2
57.07062	1.7
65.03902	1.3
67.05178	1.5
67.05505	24.0
68.59085	1.1
69.07066	8.4
70.18758	4.9
79.05491	21.2
81.07058	31.0
83.08624	7.0
91.05479	81.1
93.07049	14.7
95.08610	9.1
97.10197	1.6
105.07027	33.9
107.08600	9.1
109.10157	1.8
115.05451	5.0
117.07014	100.0
118.07305	1.7
118.96757	3.1
119.08578	73.6
120.08846	1.5
121.10146	20.6
129.06989	4.7
130.07744	2.7
131.08560	72.3
133.06555	1.3
133.10121	32.9
133.99089	1.2
135.11681	4.8
141.06931	3.1
143.08583	1.7
144.09288	2.0
145.06479	2.5
145.10118	70.3
146.10493	1.1
147.11681	3.8
155.08549	1.6
157.10135	3.1
159.08002	1.7
159.11702	25.0
160.12308	2.0
173.13275	14.6
177.98019	2.0
183.11676	2.7
201.05554	2.2
201.09123	4.6
201.12744	8.7
201.16382	83.5
202.16681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.01872	1.2
55.05511	3.2
56.05037	4.2
57.03442	1.3
58.06599	0.9
64.41732	0.6
67.05495	8.0
69.07072	6.9
70.06593	5.0
70.82039	1.3
70.82393	0.9
71.04986	8.3
74.06072	6.8
79.05489	6.8
81.07050	18.6
82.06590	2.8
83.04964	1.2
84.04510	0.8
84.08142	1.6
85.06545	1.6
86.09712	1.9
89.59030	0.5
91.05474	1.7
93.07044	4.3
95.04993	1.0
95.08598	3.0
96.08131	3.6
98.06053	7.0
98.09694	1.6
98.97591	0.6
99.04445	1.1
105.07052	1.7
106.06590	0.7
107.08589	7.4
108.08106	1.0
109.06514	1.6
109.97275	0.6
110.09673	7.5
111.40852	0.6
115.05377	0.7
116.98581	1.1
120.08109	0.8
121.10157	2.8
122.09661	23.4
123.11701	3.6
124.11216	2.5
125.09673	0.6
130.06522	15.5
131.08575	2.4
136.11229	2.4
138.09140	2.4
138.11682	1.5
138.12770	31.9
142.08679	0.8
142.12253	9.0
148.11209	21.9
149.09669	3.5
156.10193	1.1
157.07608	19.6
166.12271	88.3
167.12579	1.3
184.13333	20.0
185.07016	0.8
202.14365	100.0
203.08173	8.1
203.14717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.5
55.05489	2.0
56.05026	1.7
56.96561	4.8
59.06097	1.4
65.03939	2.2
67.05504	9.7
68.05011	3.7
68.99770	1.1
69.03426	9.0
69.07072	9.0
70.06580	3.0
71.20413	1.8
71.20759	1.1
72.04499	1.1
72.93768	1.9
74.09727	1.5
79.05479	3.6
80.05006	5.2
80.38819	0.8
81.03415	2.4
81.07043	4.4
81.66987	0.9
82.06554	2.7
83.04970	1.3
83.06059	0.9
84.04490	2.8
84.08150	4.9
85.02925	2.3
85.62664	1.1
86.06055	1.2
86.09690	3.8
91.05482	12.3
93.05788	6.3
93.07035	7.5
94.02884	1.0
94.06565	36.5
95.04961	8.4
95.06070	1.1
96.04460	3.1
96.08141	3.2
97.02872	1.4
97.06509	3.8
98.06027	1.4
98.97592	5.1
103.05488	1.2
107.04971	1.2
108.04469	2.7
108.08113	34.5
109.06506	5.2
110.06039	22.4
110.09708	1.2
111.04402	1.2
111.06823	1.3
111.08033	1.3
112.03957	7.5
112.07610	7.7
113.90601	1.0
116.98629	6.5
117.05741	2.3
118.06535	5.6
119.04914	1.5
120.08088	2.8
121.06481	1.4
122.06022	84.6
123.04407	2.7
123.06810	2.1
124.07601	4.7
125.07080	1.3
126.09159	3.3
134.06032	1.5
134.99631	6.3
135.04396	1.6
136.07571	85.4
137.05963	6.7
137.07970	1.4
138.05475	1.9
138.09117	5.7
139.07547	4.7
140.07059	100.0
141.10213	1.5
146.99597	1.2
153.00681	1.1
154.05038	1.9
154.08620	63.8
155.07010	1.3
155.09041	1.0
164.07063	10.6
164.10553	1.2
165.05542	1.9
182.08121	60.0
183.03357	1.1
200.09164	55.4
200.12784	1.7
200.16370	1.7
200.19084	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0917
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03936	1.7
55.05499	2.0
56.96560	9.0
67.05503	10.1
68.05014	2.4
68.99756	1.6
69.03426	9.4
69.07073	10.9
70.06586	2.1
70.82373	4.6
73.02911	1.9
74.09705	1.4
75.37344	1.5
79.05472	5.7
80.05009	3.4
81.07044	4.7
82.06595	3.2
83.06120	1.2
84.04475	1.9
84.08112	5.7
85.02895	3.1
91.05070	1.2
91.05489	13.7
93.05786	5.8
93.07022	6.9
94.06559	35.1
95.04951	7.7
96.04469	1.4
96.08072	1.2
97.02867	2.5
97.06511	3.6
98.97575	9.7
107.04956	1.8
108.04467	3.1
108.08119	28.7
109.06509	4.7
110.06036	21.7
111.04437	2.2
111.08059	2.1
112.03960	4.4
112.07589	5.7
116.98623	11.2
117.05740	2.6
118.06527	3.7
120.08089	3.0
121.06469	1.7
122.03640	1.9
122.06021	83.2
123.04428	4.8
123.06808	2.4
124.07571	4.6
126.09141	3.6
128.98509	1.3
129.87294	1.2
134.05962	1.8
134.99667	7.0
135.04391	1.8
136.07568	83.7
137.05966	20.3
137.07906	1.6
138.06339	1.7
138.09108	4.1
139.07530	3.6
140.07056	100.0
153.00731	1.3
154.05048	2.0
154.08612	69.6
158.99614	2.0
160.61034	1.2
163.85521	1.2
164.07082	15.3
165.05429	2.4
177.00714	3.6
182.08116	56.4
183.08405	1.7
200.09167	48.3
200.10983	3.2
211.02888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
56.05029	18.4
56.96564	38.2
57.04553	8.0
57.07062	2.7
69.07075	4.6
70.05670	7.8
70.06080	5.4
71.05040	2.2
71.95257	3.6
72.04503	3.6
74.09721	10.8
77.00901	3.9
79.05479	2.7
81.03414	3.3
83.08626	4.2
97.07611	2.4
97.99183	3.1
98.10526	2.4
98.97585	62.4
98.98210	4.8
99.04472	3.3
99.05569	9.0
100.02472	5.7
100.07594	3.4
101.00881	3.0
103.02437	2.8
107.08595	2.5
111.04427	3.5
116.00227	7.1
116.01940	5.6
116.97223	13.1
116.98612	95.8
118.03516	39.6
119.01910	51.4
119.03603	2.9
120.02063	3.0
121.01676	13.0
130.03510	9.1
131.99544	2.4
132.05064	5.4
133.04541	3.8
134.01384	10.9
134.02985	62.8
134.04774	9.8
134.99660	100.0
136.04553	59.8
136.05562	4.8
137.02954	36.5
137.04668	4.2
138.03041	3.2
139.02715	7.7
140.00217	2.9
142.03476	7.3
146.03056	2.5
149.01314	2.3
149.03604	3.4
149.06607	3.6
150.04262	2.3
150.06070	2.8
152.02303	3.4
152.04037	23.5
152.05908	10.5
152.96970	3.1
153.00700	32.1
156.97478	4.5
157.02742	5.3
157.03453	2.9
157.04564	21.5
158.01268	7.1
158.02992	8.0
158.51407	2.2
160.04543	12.7
161.02937	5.1
167.04530	3.4
172.04581	4.8
174.06107	3.0
174.98532	9.2
175.04050	14.1
175.05684	42.5
175.98569	10.1
176.02420	6.3
176.04070	22.9
176.05881	24.2
177.00932	11.0
178.05649	5.6
189.06073	2.4
190.99115	2.2
192.98743	8.5
193.05130	4.8
193.06696	19.8
194.03391	3.3
194.05060	6.2
194.06981	12.3
198.07320	3.3
199.03990	7.5
199.05670	14.4
199.07408	3.2
199.08261	1.9
199.18886	53.4
200.04036	3.0
214.24792	2.1
216.98622	3.3
217.05055	9.7
217.06998	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
51.02350	1.1
53.03944	4.0
55.01868	5.2
55.05464	6.5
56.05808	1.1
56.96517	3.1
57.03408	1.3
57.07023	2.6
57.93522	1.0
59.06084	1.9
65.03927	1.5
65.44981	0.8
67.05500	8.3
68.04964	0.8
68.69916	0.8
68.99741	0.9
69.03378	2.8
69.07079	4.8
70.55203	2.6
71.04942	1.3
71.08600	0.8
72.04465	1.7
74.09722	8.2
77.03894	0.9
79.05489	26.7
80.05781	0.8
81.03385	1.8
81.07056	9.8
82.07343	1.0
83.01308	0.8
83.04933	2.7
83.06033	1.1
83.08607	4.3
84.08127	1.1
84.08914	1.6
84.65161	0.7
85.02878	1.0
85.06528	1.4
86.06041	1.0
86.09698	5.2
87.59556	0.8
91.05478	24.0
92.64850	0.8
93.03381	1.3
93.07040	43.4
95.04964	13.7
95.06043	1.2
95.08560	2.5
97.02805	1.3
97.06529	6.2
98.97540	1.8
100.07603	3.5
103.05453	2.6
105.03400	1.8
105.04469	2.3
105.06984	2.0
107.01250	0.9
107.04906	3.5
107.08543	3.3
109.06449	2.1
111.04435	9.5
111.08081	5.7
114.28291	0.8
115.05405	1.1
115.78634	0.8
116.97225	8.4
116.98598	3.5
121.06499	46.4
121.10176	1.1
123.04373	1.4
123.08054	13.9
125.02284	1.3
125.05993	1.4
128.06177	1.3
131.04852	0.7
131.99510	2.2
134.01215	0.8
134.99660	5.8
135.04402	0.9
135.08023	1.0
135.11697	1.1
136.07600	0.9
137.05957	1.0
139.03900	2.0
139.07533	33.8
140.04636	2.2
140.08041	0.9
142.92509	0.9
143.08534	1.7
146.99608	0.8
149.05974	13.1
152.96895	2.0
153.00681	0.9
153.09079	1.0
156.09363	1.3
157.10106	1.4
167.07034	100.0
170.97969	0.9
171.11685	1.4
175.98511	4.5
181.04910	1.2
182.08080	1.2
182.11783	0.9
185.08176	0.9
192.58264	0.7
199.03934	1.6
199.07542	1.8
199.09607	1.1
199.11255	2.2
199.14844	2.2
199.18883	42.8
206.30975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24522	0.1
55.01862	0.2
55.05505	0.5
56.96562	1.5
57.03444	0.3
57.07077	0.3
58.06602	0.2
60.08159	22.8
61.02906	0.2
61.08512	0.2
67.04247	0.4
68.05023	7.9
69.03416	0.2
69.07050	0.4
69.25209	1.9
70.06573	0.2
74.20788	0.2
79.05452	0.4
81.03399	0.2
81.07040	0.2
83.04985	0.2
83.08620	0.4
85.02882	0.2
86.06060	0.3
95.06081	100.0
96.05835	0.3
96.06425	1.2
97.02889	0.3
97.10178	0.2
98.20783	0.3
98.97541	0.3
110.07168	0.5
110.97566	0.2
111.05522	1.0
116.98589	0.3
119.01840	0.3
120.89214	0.2
121.03940	0.3
128.98590	0.4
134.05997	0.2
136.07578	0.3
137.02310	0.2
139.04984	0.2
142.96523	0.4
146.99661	0.3
152.06993	0.5
152.08107	0.3
154.13376	17.5
155.13669	0.3
160.97563	0.4
165.08960	0.5
174.99181	0.4
180.06444	0.3
181.09795	0.2
182.08052	0.6
182.75729	0.1
192.97623	0.2
193.00139	1.0
198.07581	0.2
198.10789	0.2
198.12402	3.1
198.18504	5.2
211.01213	0.2
212.81967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
56.05029	18.4
56.96564	38.2
57.04553	8.0
57.07062	2.7
69.07075	4.6
70.05670	7.8
70.06080	5.4
71.05040	2.2
71.95257	3.6
72.04503	3.6
74.09721	10.8
77.00901	3.9
79.05479	2.7
81.03414	3.3
83.08626	4.2
97.07611	2.4
97.99183	3.1
98.10526	2.4
98.97585	62.4
98.98210	4.8
99.04472	3.3
99.05569	9.0
100.02472	5.7
100.07594	3.4
101.00881	3.0
103.02437	2.8
107.08595	2.5
111.04427	3.5
116.00227	7.1
116.01940	5.6
116.97223	13.1
116.98612	95.8
118.03516	39.6
119.01910	51.4
119.03603	2.9
120.02063	3.0
121.01676	13.0
130.03510	9.1
131.99544	2.4
132.05064	5.4
133.04541	3.8
134.01384	10.9
134.02985	62.8
134.04774	9.8
134.99660	100.0
136.04553	59.8
136.05562	4.8
137.02954	36.5
137.04668	4.2
138.03041	3.2
139.02715	7.7
140.00217	2.9
142.03476	7.3
146.03056	2.5
149.01314	2.3
149.03604	3.4
149.06607	3.6
150.04262	2.3
150.06070	2.8
152.02303	3.4
152.04037	23.5
152.05908	10.5
152.96970	3.1
153.00700	32.1
156.97478	4.5
157.02742	5.3
157.03453	2.9
157.04564	21.5
158.01268	7.1
158.02992	8.0
158.51407	2.2
160.04543	12.7
161.02937	5.1
167.04530	3.4
172.04581	4.8
174.06107	3.0
174.98532	9.2
175.04050	14.1
175.05684	42.5
175.98569	10.1
176.02420	6.3
176.04070	22.9
176.05881	24.2
177.00932	11.0
178.05649	5.6
189.06073	2.4
190.99115	2.2
192.98743	8.5
193.05130	4.8
193.06696	19.8
194.03391	3.3
194.05060	6.2
194.06981	12.3
198.07320	3.3
199.03990	7.5
199.05670	14.4
199.07408	3.2
199.08261	1.9
199.18886	53.4
200.04036	3.0
214.24792	2.1
216.98622	3.3
217.05055	9.7
217.06998	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	3.8
54.23821	1.5
55.01864	4.4
55.05497	5.8
56.96548	2.4
57.03414	2.6
57.07070	4.0
59.04982	2.1
60.21109	1.5
65.03938	2.4
67.05504	15.1
69.03413	5.1
69.07059	6.9
70.13246	8.1
70.13647	2.8
70.95848	8.1
71.04979	4.0
72.93785	5.3
73.02891	1.6
73.08955	1.5
79.05492	15.4
81.03424	2.9
81.07051	19.2
83.04986	3.8
83.08591	2.3
85.06538	4.1
88.96877	2.1
90.94798	2.0
91.05473	34.8
93.07043	28.2
95.04977	18.4
95.08604	14.1
97.02891	3.6
97.06545	4.2
99.04414	2.6
105.03389	3.1
105.06306	2.3
105.07020	46.3
107.08591	99.7
109.06506	14.8
109.10142	16.2
111.04444	4.1
111.08049	2.4
111.98477	4.1
113.08232	5.7
114.01564	1.5
114.21689	1.5
117.07003	2.8
119.04928	3.4
119.06022	1.6
119.08558	14.1
121.06509	6.9
121.10133	4.6
123.04427	5.6
123.08049	6.2
123.11702	4.0
125.05990	2.9
125.09653	1.8
127.07520	1.7
128.22850	1.5
129.99487	4.6
131.08556	2.5
132.95805	5.2
133.10129	93.7
135.08051	2.2
135.11699	55.4
137.06000	13.0
137.08244	2.3
137.09608	11.2
138.06754	3.6
141.05444	3.3
141.06973	7.8
141.09164	1.7
143.08559	2.5
146.07283	4.0
150.96877	23.0
151.03894	6.1
151.07574	3.3
151.11176	12.1
153.07005	2.1
154.06201	4.1
154.07809	3.7
155.08566	6.6
155.97375	5.7
161.09615	34.3
164.26923	1.7
167.08514	8.1
168.97928	1.9
169.06435	2.5
169.08665	3.9
169.10143	9.2
173.98476	13.4
179.07069	4.2
179.10667	100.0
179.14215	4.5
182.07254	2.4
182.10915	8.1
197.05978	4.5
197.08073	2.7
197.09862	3.9
197.11716	59.9
197.13298	13.4
198.18529	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03962	0.4
53.21946	0.4
55.01871	1.7
55.05512	3.8
56.05028	0.6
57.03430	1.5
57.07068	1.7
57.52229	0.4
57.60354	0.5
59.04997	1.1
65.03944	1.5
67.05504	6.4
68.05024	0.6
69.03430	2.3
69.07066	2.5
70.06564	0.6
70.95854	2.0
71.04999	1.8
71.06102	1.0
71.15154	1.2
72.93790	1.9
73.02922	2.0
75.79193	0.4
77.15009	0.4
79.05499	6.2
81.03400	0.8
81.07056	8.0
83.04992	1.9
83.08626	0.9
84.04494	0.5
85.06535	0.9
88.96914	1.0
90.90895	0.4
91.05476	18.0
93.07041	10.3
95.04974	5.4
95.06101	0.6
95.08607	5.0
96.05642	0.8
97.02884	1.0
97.06537	1.7
99.04457	1.4
99.12135	0.4
105.03398	1.1
105.07031	23.1
106.97938	0.6
107.04954	1.5
107.08594	100.0
107.45777	0.4
108.08927	0.7
109.02839	0.5
109.06519	7.1
109.10161	8.0
111.04442	1.1
111.08084	1.1
111.98488	1.8
113.06033	0.6
113.08263	5.1
113.96368	0.6
115.05441	0.6
117.07072	1.0
118.07793	0.7
119.04954	1.9
119.06075	1.2
119.08566	5.3
121.06493	3.5
121.10175	1.4
122.07153	0.5
123.04449	1.8
123.08065	1.8
123.11723	2.0
125.06008	3.0
127.03913	0.7
127.07497	0.4
128.06235	0.6
129.99538	1.5
131.08571	2.4
132.95863	1.8
133.02866	0.9
133.10129	62.2
135.08078	0.8
135.11690	12.4
137.05994	4.8
137.08167	0.9
137.09616	5.7
138.06671	0.6
139.07584	1.1
141.05479	1.2
141.06921	1.0
143.08560	1.3
146.07278	1.7
147.04401	1.8
150.96907	8.4
151.03909	8.5
151.05019	0.6
151.07504	2.2
151.11163	4.8
155.09282	1.3
155.10591	0.6
155.97394	1.7
157.44286	0.5
161.09616	15.6
165.01936	0.4
168.97935	0.8
169.08711	0.4
169.10098	0.9
173.98485	4.6
179.07181	3.0
179.09341	0.9
179.10669	22.3
179.14165	2.4
182.05768	1.0
182.10956	1.0
197.07991	1.5
197.11729	29.6
197.13205	1.9
197.15344	1.0
198.18517	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
52.16480	0.8
55.01861	1.0
55.05484	2.6
57.07000	0.9
59.04958	1.0
65.03915	1.8
67.05509	5.0
69.03419	1.0
69.06997	0.8
70.74058	1.4
70.74393	1.3
73.95899	0.9
79.05489	6.1
81.07059	4.7
91.05476	20.9
91.10656	0.8
93.07045	14.5
95.04914	2.9
95.08567	3.2
97.06506	1.0
99.05519	0.9
105.07027	28.3
107.04961	1.2
107.08588	100.0
109.06499	5.4
109.10142	6.4
113.08265	1.0
119.04954	4.5
119.05659	0.8
119.08560	10.1
121.06463	3.6
121.10128	7.0
123.04391	1.1
123.08028	2.0
123.11659	2.1
124.40722	0.8
128.06165	1.0
131.08479	2.4
133.06438	1.5
133.10123	60.3
135.11696	9.6
137.05923	3.1
137.09625	4.0
139.07512	1.5
143.08537	1.6
146.07210	2.0
147.04353	2.0
149.09607	5.1
150.96841	1.3
151.07516	1.5
151.11176	9.1
161.08325	1.2
161.09608	19.6
167.10674	12.0
179.07124	4.1
179.10640	30.8
197.11641	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03923	1.7
55.01852	0.8
55.05498	4.3
57.07052	2.7
59.04992	3.5
65.03920	1.7
67.05502	7.8
69.03402	2.8
69.07049	2.6
70.61802	1.7
70.62146	0.7
70.95847	1.6
71.04976	1.4
72.93776	1.0
79.05491	8.4
81.03388	0.7
81.07056	10.8
83.04980	2.1
83.08603	1.1
85.06518	1.9
91.05475	28.6
93.07039	28.6
95.04964	13.1
95.08611	5.5
97.06482	1.2
98.06017	0.8
103.05410	0.9
105.07026	43.9
107.04928	1.7
107.08590	79.1
108.08947	1.1
109.06509	8.3
109.10164	9.7
111.04404	1.0
111.08044	1.1
111.98503	1.0
113.05989	0.9
115.05431	1.5
117.06984	1.8
118.07781	1.0
119.04913	3.1
119.06033	1.0
119.08575	11.6
120.09370	1.0
121.06493	8.1
121.10132	1.9
123.04465	4.3
123.08039	2.5
123.11676	5.1
124.85313	0.7
128.06172	0.9
131.08554	3.5
132.95847	1.4
133.06471	1.6
133.10123	82.2
134.10442	0.9
135.08000	2.1
135.11684	51.3
136.12016	0.9
137.05956	4.4
137.09605	5.3
139.07486	0.7
141.05408	1.1
141.07039	1.0
143.08487	0.8
146.07263	2.5
149.26643	0.7
150.96843	5.5
151.03900	1.0
151.11159	7.1
153.06929	0.8
154.07663	0.7
155.08521	1.4
155.97452	1.5
161.09615	36.7
167.08525	1.3
169.08786	0.9
169.10136	1.9
173.98503	3.4
179.10661	100.0
180.11049	0.8
182.07213	0.8
182.10918	2.2
197.05960	1.0
197.08038	1.7
197.11723	50.3
197.13181	2.5
198.18486	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03937	1.8
54.03722	0.6
55.01870	7.1
55.05512	23.1
56.96558	0.7
57.03424	1.4
57.07058	1.9
59.04981	0.7
59.83868	0.7
62.66530	0.6
65.03933	0.9
67.05508	3.7
69.03426	5.0
69.07056	2.1
70.52716	1.0
70.53080	1.6
70.95853	2.2
71.01336	0.8
71.04978	2.3
72.93781	1.9
79.05111	0.9
79.05497	6.8
81.03412	2.0
81.07059	24.7
83.04966	2.2
85.06550	1.5
90.94813	0.8
91.05485	8.6
93.07045	6.4
94.98717	0.5
95.04978	4.6
95.06088	1.0
95.08596	4.2
96.05663	0.6
97.02908	0.6
97.06528	12.2
99.04457	14.1
105.03415	1.6
105.07031	10.3
107.04946	2.3
107.08598	13.1
109.06514	10.1
109.10155	3.9
111.04446	2.3
111.08067	0.8
111.98493	1.5
112.71133	0.6
113.06003	0.8
113.08250	2.1
119.08607	4.1
121.06534	1.3
121.10101	1.5
123.04434	2.3
123.08064	1.7
123.11708	1.8
125.05991	100.0
126.06325	1.0
127.03915	31.1
128.06221	1.3
129.99513	1.0
131.97356	0.7
132.95813	1.5
133.10126	14.7
134.99596	0.9
135.08034	1.2
135.11684	7.5
137.05977	74.8
137.09567	4.5
138.06557	1.2
141.05492	1.2
141.06964	2.1
143.08548	3.5
145.04974	2.0
147.04523	0.6
150.96904	6.8
151.03937	1.9
151.07506	1.7
151.11179	3.3
153.06961	0.9
154.06302	1.0
154.07738	1.8
155.08463	1.2
155.97450	1.0
161.09612	14.0
161.83873	0.7
165.05525	0.7
167.07188	0.8
167.08592	2.1
169.08832	1.0
169.10110	4.6
173.98506	3.9
179.03291	0.7
179.09154	1.4
179.10672	18.9
179.12187	1.1
182.05714	1.2
182.10953	1.4
197.06004	1.0
197.08052	1.6
197.09709	2.6
197.11731	9.2
197.13309	2.8
197.14894	0.6
198.18544	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03932	1.8
55.01859	1.9
55.05506	6.5
57.03434	1.8
57.07074	4.1
59.04983	3.0
60.97467	1.0
65.03925	1.5
67.05499	9.9
69.03416	3.7
69.07074	5.0
69.53974	1.9
69.54386	5.4
70.95859	2.3
71.01334	1.0
71.04974	3.2
72.93791	1.5
73.02922	1.1
77.03891	1.1
79.05492	11.1
81.03395	1.1
81.07053	14.0
83.04949	2.9
85.06544	4.3
85.17975	0.8
91.05476	30.7
93.07040	34.3
95.04971	11.8
95.08603	10.6
97.06496	2.7
97.07645	1.2
99.04461	1.9
103.05486	1.0
105.03361	1.4
105.07029	41.4
107.04990	1.5
107.08592	86.2
108.08907	0.9
109.06506	13.1
109.10144	10.4
111.04430	2.4
111.08105	1.9
111.98378	1.0
112.76518	0.8
113.06036	1.3
113.08254	4.5
114.48918	0.8
115.05442	1.2
117.07002	2.0
119.04915	3.5
119.06091	1.6
119.08578	11.8
121.06512	8.9
121.10114	2.3
123.04452	6.2
123.08054	8.2
123.11693	5.4
125.05994	6.1
125.82392	1.0
127.03947	2.1
129.99554	1.2
131.08592	4.3
132.95815	2.8
133.06491	1.7
133.10126	89.6
135.08052	2.5
135.11688	54.4
137.05962	11.5
137.08421	1.4
137.09579	9.8
137.13342	0.9
138.06664	1.4
139.07542	1.5
140.21342	0.9
141.05481	1.1
141.07011	1.2
143.08574	1.3
146.07220	2.4
150.96861	6.6
151.03920	2.1
151.07498	1.0
151.11174	8.9
152.07050	1.1
154.06306	1.2
155.09396	1.7
155.97464	1.4
161.09610	40.3
167.08595	1.5
169.10109	2.3
173.98459	3.7
179.10666	100.0
179.14178	2.6
180.06569	1.2
180.10930	1.0
182.05783	1.2
182.10934	1.3
197.06250	1.3
197.08058	3.0
197.11725	50.4
197.13142	2.1
198.18541	2.6
210.69400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03941	0.9
55.01868	2.6
55.05515	2.3
56.96564	1.9
57.03435	0.5
57.07059	0.8
59.04991	0.4
65.03934	3.3
67.05175	0.4
67.05505	4.9
68.99777	0.5
69.03416	1.2
69.07065	1.7
70.95853	1.3
71.01349	0.6
71.04985	1.2
71.56920	0.4
71.57326	0.5
72.08110	0.4
72.93769	1.1
73.02914	18.4
74.03240	0.3
79.05483	2.3
80.02632	0.4
81.03400	0.9
81.07056	3.4
82.06565	0.5
83.04977	1.9
83.08640	0.6
83.43580	0.3
84.81647	0.3
85.02890	1.3
85.06535	1.7
85.37388	0.3
86.06063	0.4
91.03939	1.0
91.05466	5.3
93.03419	0.4
93.07028	2.3
95.04958	4.1
95.06067	0.4
95.08600	3.0
96.05600	0.3
97.02882	1.2
97.06521	1.2
99.04444	0.8
103.18776	0.3
105.03378	0.5
105.04509	0.4
105.07015	2.4
107.04935	0.6
107.08598	3.7
108.02097	3.0
109.02892	1.2
109.06516	2.0
109.10159	1.8
110.03658	2.7
111.04437	2.9
111.08076	0.5
111.98468	1.0
113.05972	0.6
113.08246	2.4
116.98650	0.3
117.03436	0.4
119.04940	2.2
119.08567	1.3
121.06505	0.5
121.10128	0.7
123.04407	1.0
123.08051	3.9
123.11714	0.5
125.05986	12.7
127.03898	0.6
128.98636	0.3
129.99489	1.1
131.08591	0.5
132.95816	0.8
133.02838	1.4
133.06529	0.4
133.10132	3.6
134.99669	0.5
135.11678	1.6
136.01541	0.6
137.05974	4.3
137.08212	0.7
137.09599	1.5
138.06711	0.9
141.05481	5.5
141.06619	0.5
141.09096	0.3
146.99654	0.9
147.04390	1.6
149.05969	2.7
150.96893	4.9
151.03900	100.0
151.04988	7.8
151.07437	3.6
151.11171	2.0
152.02310	0.3
152.04237	1.6
153.09106	0.3
155.09387	1.9
155.10406	0.3
155.97432	0.7
161.02998	0.5
161.09636	1.3
161.13228	0.4
165.05501	0.4
168.97920	0.3
169.08691	0.3
169.10104	0.4
173.98448	2.4
179.05499	0.7
179.07019	15.3
179.09346	0.4
179.10590	3.4
179.14291	3.1
179.26396	0.3
182.05769	0.9
182.10925	0.8
191.99495	0.3
193.04953	1.5
197.04337	0.4
197.06264	0.5
197.08084	4.0
197.10141	0.6
197.11769	1.7
197.13312	0.8
197.15414	0.9
197.17261	0.3
198.18446	1.4
203.36063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0969
Annotation	L-Homotyrosine
Peak:m/z	Relative Intensity
56.96556	0.9
61.88681	0.3
67.05517	0.5
69.07058	0.3
69.92334	0.7
69.92739	0.8
70.95853	0.4
79.05463	0.5
81.07055	0.8
85.02921	0.3
94.06561	1.2
95.04971	0.5
98.97586	0.3
105.07019	0.4
107.07358	0.3
108.04440	0.3
109.06533	0.3
113.08250	0.3
113.14331	0.2
116.98590	0.6
122.06022	15.3
123.06824	2.1
126.05531	0.5
135.04462	0.3
136.07570	0.5
140.07083	0.7
148.07520	0.4
149.08385	0.3
150.09134	100.0
150.96864	1.1
151.09473	2.1
163.03867	0.3
173.98483	0.4
178.08626	41.6
179.08981	0.9
179.10408	0.3
189.50803	0.3
196.09685	24.3
196.16902	0.4
209.03143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
56.05032	2.7
56.96564	19.6
57.07064	1.2
69.03416	1.7
69.07047	1.2
69.43967	8.9
70.06591	1.3
71.06113	1.5
71.95243	1.5
74.97609	1.4
77.00909	1.1
78.11588	0.9
81.07064	1.2
84.04493	1.3
93.07067	1.6
95.06094	3.3
96.08160	0.8
97.02903	2.6
97.03732	1.0
98.21544	1.9
98.97581	10.4
100.02473	2.1
101.00893	4.6
105.03396	1.3
105.07053	2.0
107.08600	2.5
109.06507	1.0
113.08257	14.0
114.04028	1.4
116.98622	16.3
118.03483	2.4
119.01920	48.7
119.08584	1.1
119.60317	0.9
120.02003	1.3
121.01633	1.4
121.03539	1.8
123.11703	0.8
130.03537	2.8
131.01878	1.8
132.05069	34.1
132.95882	1.5
133.03491	1.7
133.10152	2.8
134.02979	1.3
134.98634	1.9
134.99663	30.9
135.11684	2.1
136.00034	1.3
137.02954	35.7
137.08215	3.3
138.03082	2.2
138.05472	0.9
138.06563	1.2
141.06627	0.9
142.03542	3.4
143.05548	1.1
145.03456	3.5
147.03802	9.3
147.04918	1.9
148.02806	1.8
148.04556	1.4
150.06123	42.0
150.96870	4.5
151.06288	1.2
153.00658	8.0
154.90707	2.2
155.01241	2.0
155.03009	2.1
155.06677	1.0
155.09303	5.7
156.05078	4.1
156.97479	2.3
158.01271	2.1
159.06183	1.3
160.04579	2.8
163.04524	1.9
165.04854	8.0
169.89497	1.1
172.95338	1.2
173.02721	4.1
173.04170	5.2
173.07794	1.6
173.98489	3.0
174.00775	4.4
174.06120	100.0
174.98608	2.8
175.06306	4.1
176.03992	1.4
177.00931	1.2
179.09254	2.2
179.10660	3.4
187.04486	1.6
191.03845	2.6
191.05357	2.2
192.01897	2.2
192.07155	37.4
193.00281	1.2
193.07449	1.4
196.91798	1.8
197.00658	2.3
197.02716	1.4
197.06122	1.3
197.07753	8.2
197.10272	2.3
198.18547	2.8
214.92719	1.2
215.01668	3.4
215.05255	2.8
215.09213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03934	2.8
55.01868	12.5
55.05509	51.6
57.03427	3.1
57.07079	10.7
59.04988	5.2
65.03951	3.0
67.05503	20.7
69.03081	2.1
69.03429	31.1
69.07066	80.5
71.04989	9.8
71.08622	2.0
71.57465	1.4
75.73824	1.2
79.05490	30.3
81.07055	69.6
83.04964	8.8
83.08612	26.2
85.06547	14.0
89.09525	1.1
91.05486	17.1
93.07042	45.0
95.04980	9.0
95.08605	83.6
97.06522	6.9
97.10159	19.9
99.08091	95.3
105.07046	15.5
106.07878	1.4
107.04960	12.9
107.08590	68.5
108.08893	1.5
109.06518	5.9
109.10152	26.2
110.10467	1.9
111.08077	37.6
111.11730	10.6
112.08421	1.5
113.09648	6.7
117.03381	1.8
117.06993	1.8
119.08574	4.7
121.06504	4.8
121.10136	100.0
122.10522	1.3
123.04421	4.4
123.08079	5.3
123.11706	15.4
125.02373	2.0
125.05992	5.5
125.09623	54.8
125.13242	2.1
129.35822	1.4
131.08574	8.1
133.10101	3.1
135.04416	4.1
135.08055	7.5
135.10696	1.9
135.11693	26.3
136.12030	1.6
137.12495	1.3
137.13252	33.0
139.03934	1.5
139.11150	10.5
141.05472	5.6
145.02841	2.9
146.32903	1.3
149.05949	2.9
149.08525	0.9
149.09622	20.5
149.13269	8.0
151.14804	2.8
152.06107	1.6
153.05470	10.8
153.12804	1.7
159.11734	1.6
163.03900	3.6
165.06973	2.0
167.07027	2.2
167.08395	1.8
177.05489	5.3
177.09172	7.6
177.12814	4.8
177.16391	67.7
195.02895	3.2
195.06474	2.4
195.08269	1.8
195.10190	9.0
195.13809	3.6
195.17500	27.9
196.19305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.18985	1.2
53.00309	1.8
53.03942	5.3
55.01868	15.4
55.05506	41.4
56.96560	14.5
57.03434	8.8
57.07067	11.3
59.04989	3.2
62.84164	1.2
65.03938	4.7
67.05502	27.6
68.05836	1.3
68.99802	2.3
69.03429	25.1
69.07064	71.0
70.06594	1.7
71.01366	1.5
71.04990	10.8
71.08621	2.4
71.12542	3.2
71.12907	2.3
79.05488	43.9
81.03407	7.9
81.07052	56.5
82.06587	1.5
83.04979	12.7
83.08606	22.0
85.02888	5.5
85.06544	13.2
86.12700	1.3
89.03898	3.5
91.05475	29.7
93.03409	1.8
93.07033	42.6
95.04966	18.5
95.08601	65.3
97.02877	8.0
97.06516	8.7
97.10167	14.0
98.97585	5.9
99.08085	62.5
99.08748	1.9
103.05451	12.7
105.07018	21.8
106.04156	1.6
107.04945	100.0
107.08580	71.1
109.02898	1.9
109.06515	12.1
109.10155	21.3
110.18542	1.4
111.04458	7.5
111.05557	1.8
111.08077	25.8
111.11710	5.4
113.09638	5.6
115.05456	10.7
116.06212	1.6
116.98601	4.2
117.03373	4.7
117.07018	7.9
119.04953	2.6
119.08579	9.6
120.05688	4.3
121.01096	5.4
121.02844	2.8
121.06486	8.2
121.10133	69.3
123.04439	5.9
123.08059	5.2
123.11716	11.0
124.05192	1.8
125.05975	3.7
125.09618	41.9
128.02295	5.2
128.98637	1.6
131.04921	2.7
131.08543	6.4
133.02838	3.5
133.06464	1.5
133.10132	4.4
134.99680	2.7
135.04440	11.0
135.07004	2.1
135.08041	41.5
135.11684	28.3
137.05957	7.4
137.09619	11.4
137.13225	21.0
139.03876	4.1
139.07550	2.9
139.11177	7.3
145.02850	5.4
146.99675	1.5
147.04356	1.7
148.97350	2.7
149.00534	3.1
149.05948	5.7
149.09586	11.7
149.13239	7.0
151.03940	2.1
151.07523	4.1
151.11172	1.8
151.14862	1.6
152.06206	2.5
153.05467	6.1
153.09073	2.9
153.12793	2.2
154.06262	4.5
157.87695	1.9
158.99731	1.7
159.08028	3.0
159.11581	3.5
160.06180	1.5
163.03899	6.5
163.07550	24.5
165.05597	2.5
165.07001	6.4
167.07040	32.4
167.08389	2.2
171.98981	1.8
177.00702	3.0
177.05510	9.0
177.09007	10.2
177.12811	7.2
177.16374	53.4
180.07800	4.5
180.09285	3.2
192.06508	2.7
193.07391	1.6
195.01096	10.5
195.02901	7.0
195.06577	7.7
195.08095	5.2
195.10123	24.0
195.11763	4.0
195.13828	9.7
195.15768	3.8
195.17419	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.1
53.03943	3.3
55.01878	11.5
55.05507	49.4
56.96538	1.6
57.03421	3.3
57.07082	10.9
59.04999	2.5
65.03930	3.1
67.05505	21.9
69.03078	2.3
69.03426	26.3
69.07064	78.9
70.07384	1.4
71.04713	1.0
71.04996	10.4
71.08633	3.0
71.58102	2.2
79.05489	25.6
81.07052	60.9
83.04958	6.7
83.08152	1.4
83.08619	24.9
85.06168	1.1
85.06555	12.3
85.68168	1.3
89.03897	1.8
91.05478	15.8
93.07039	46.3
93.07631	2.6
95.04971	7.8
95.08603	78.7
96.08937	2.8
97.06519	7.2
97.10172	17.2
99.04463	1.3
99.08089	87.8
100.08377	1.2
103.05460	2.5
105.06383	1.9
105.07034	15.9
107.04955	14.2
107.08591	59.1
108.08892	1.7
109.06507	5.4
109.10146	20.7
110.10477	2.0
111.04459	2.2
111.08076	34.7
111.11699	10.0
113.09646	6.7
115.05415	1.5
117.03389	2.3
117.06995	1.8
119.08574	4.1
121.06508	6.2
121.10136	100.0
122.10432	2.8
123.04411	1.9
123.08051	4.4
123.11690	13.6
124.05104	1.2
125.05966	3.8
125.09620	55.9
125.13277	2.1
127.11221	1.1
131.08569	8.4
133.02808	1.3
133.10091	4.1
135.04407	4.8
135.08041	5.2
135.11691	27.1
136.12006	1.9
137.05867	1.6
137.09624	2.1
137.13254	32.1
139.07504	1.8
139.11188	10.0
141.05460	4.5
145.02838	3.4
146.50604	1.1
149.05998	3.4
149.09615	20.4
149.13240	8.7
151.11174	2.3
151.14836	1.8
153.05446	10.0
159.11685	2.5
163.03934	4.0
164.37944	1.2
165.06911	2.0
166.85159	1.2
167.07063	2.3
167.08531	1.6
167.10657	2.0
177.05444	6.3
177.09109	6.6
177.12872	2.1
177.16383	72.2
178.16708	2.1
180.09442	1.7
195.02859	3.8
195.06528	1.6
195.08261	2.8
195.10146	12.3
195.11697	2.1
195.13799	3.1
195.17458	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03931	3.3
55.01862	2.4
55.05511	5.6
57.03421	1.2
57.07069	3.0
59.04990	6.5
65.03915	1.2
67.05497	15.2
69.03419	9.0
69.07063	6.3
70.58098	4.4
71.04987	6.9
73.21282	1.1
79.05489	12.4
81.03407	1.4
81.07048	14.8
83.04970	11.5
85.06548	1.5
90.05063	1.1
91.05471	14.9
93.07034	28.9
95.04967	6.5
95.08601	36.8
97.06519	5.2
99.08092	1.4
105.07037	8.6
107.04948	10.5
107.08585	46.4
109.06517	8.2
109.10154	17.7
111.08079	4.3
113.09676	1.2
117.07005	4.1
119.08565	17.0
121.06540	8.2
121.10129	14.5
123.08108	1.7
125.06026	1.8
125.09631	2.6
129.06963	1.4
131.08565	3.9
133.10139	8.2
135.04385	3.0
135.07103	1.0
135.08040	26.6
135.09004	2.0
135.11682	42.4
135.40205	1.2
136.08864	2.7
137.09602	100.0
139.07544	3.3
144.09323	2.9
145.02869	1.9
149.06006	2.2
149.09607	1.3
149.13225	13.2
151.11203	1.9
153.09018	1.3
153.12761	3.2
159.11685	19.0
160.11703	1.2
163.03935	2.0
163.07542	4.0
165.07103	1.5
167.07042	1.7
172.74467	1.2
177.05479	3.0
177.09109	2.9
177.12747	33.0
181.08545	1.8
195.06471	1.8
195.10144	3.5
195.13785	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01862	2.4
55.05511	5.6
57.03421	1.2
57.07069	3.0
59.04990	6.5
65.03915	1.2
67.05497	15.2
69.03419	9.0
69.07063	6.3
70.58098	4.4
71.04987	6.9
73.21282	1.1
79.05489	12.4
81.03407	1.4
81.07048	14.8
83.04970	11.5
85.06548	1.5
90.05063	1.1
91.05471	14.9
93.07034	28.9
95.04967	6.5
95.08601	36.8
97.06519	5.2
99.08092	1.4
105.07037	8.6
107.04948	10.5
107.08585	46.4
109.06517	8.2
109.10154	17.7
111.08079	4.3
113.09676	1.2
117.07005	4.1
119.08565	17.0
121.06540	8.2
121.10129	14.5
123.08108	1.7
125.06026	1.8
125.09631	2.6
129.06963	1.4
131.08565	3.9
133.10139	8.2
135.04385	3.0
135.07103	1.0
135.08040	26.6
135.09004	2.0
135.11682	42.4
135.40205	1.2
136.08864	2.7
137.09602	100.0
139.07544	3.3
144.09323	2.9
145.02869	1.9
149.06006	2.2
149.09607	1.3
149.13225	13.2
151.11203	1.9
153.09018	1.3
153.12761	3.2
159.11685	19.0
160.11703	1.2
163.03935	2.0
163.07542	4.0
165.07103	1.5
167.07042	1.7
172.74467	1.2
177.05479	3.0
177.09109	2.9
177.12747	33.0
181.08545	1.8
195.06471	1.8
195.10144	3.5
195.13785	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	5.0
55.01855	7.4
55.05510	24.8
56.96562	71.1
57.03438	19.8
57.07069	4.9
60.75528	1.8
65.03923	2.8
67.05505	58.5
69.03413	4.3
69.07063	14.9
69.33230	6.8
69.33659	10.6
70.90341	1.7
71.04977	6.2
71.95252	2.5
74.97656	2.2
79.05489	48.8
81.03397	9.7
81.07053	100.0
82.07353	3.1
83.04978	11.6
83.08601	7.4
85.06531	5.1
89.65127	1.5
91.05478	35.1
93.07040	62.4
95.04985	10.7
95.08602	39.6
97.02306	2.2
97.06503	12.8
99.08058	3.4
105.07028	16.6
107.04945	7.5
107.08594	22.9
109.02274	1.9
109.06525	5.7
109.10145	5.5
111.08086	4.2
112.04105	1.6
115.00698	1.6
115.04134	2.0
115.05434	2.0
117.06998	11.9
119.04346	2.0
119.08560	5.8
121.04134	2.4
121.06524	8.8
121.10146	8.4
123.01125	2.1
123.07983	2.5
125.04337	2.7
125.09664	1.7
127.04061	1.8
128.04855	4.5
128.98604	2.2
129.02296	4.5
129.03822	2.9
129.06955	2.3
130.04588	4.4
131.08551	11.2
133.01833	3.0
133.10141	13.8
134.04887	51.6
134.05859	1.8
134.55052	7.1
135.08064	7.9
135.11682	36.2
136.04608	3.4
137.05415	3.6
137.09569	2.4
139.07446	2.0
141.05676	2.9
143.05411	53.1
143.55600	6.8
145.55710	7.2
146.05832	2.9
147.03236	9.0
148.03493	2.4
149.09538	2.5
149.13258	13.3
150.06137	3.2
151.11176	3.0
152.05968	2.1
153.05566	2.6
153.06929	2.0
154.56161	2.5
155.07202	12.7
156.06140	2.7
159.03299	2.4
159.11684	12.9
161.07240	2.4
162.06223	2.8
163.03951	2.7
164.07791	7.5
165.04349	5.4
165.07474	14.1
165.57491	2.4
166.58044	3.9
167.08524	5.7
168.08012	3.3
169.01729	2.4
169.06969	3.9
171.03290	3.4
174.08017	63.4
174.58163	12.8
175.02756	2.7
177.05527	2.7
177.12778	11.4
180.09306	6.2
183.03300	3.1
183.08539	94.8
183.58708	24.0
184.08983	3.0
185.58842	19.9
186.08977	5.4
187.02771	4.0
189.04408	2.9
192.09117	2.5
194.59329	15.0
195.02948	6.0
195.08110	3.1
195.10046	3.4
195.11685	13.9
195.13768	11.4
195.15416	2.7
201.04329	2.7
206.10103	2.8
209.04926	2.5
213.08038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	4.2
55.01876	3.2
55.05520	17.9
55.05765	2.7
56.96570	9.5
57.03429	4.4
65.03940	3.1
67.05507	50.4
69.03447	2.2
69.07070	14.7
69.28380	2.2
69.28777	15.5
71.01342	3.6
71.04993	4.8
73.02911	2.3
79.05100	1.4
79.05496	38.4
81.03438	8.0
81.07059	100.0
83.04988	12.3
83.08616	9.6
85.06564	4.3
89.03951	1.2
91.05486	30.5
93.07045	68.4
95.04983	8.2
95.08612	43.2
97.06546	10.6
97.64651	1.4
98.20715	2.4
101.06042	1.7
105.07043	10.5
107.04979	3.7
107.08601	29.1
109.06535	5.5
109.10185	4.7
111.08080	6.0
115.05383	1.4
117.03351	1.6
117.07034	11.3
119.08604	2.7
121.06490	8.5
121.10128	8.7
123.08082	1.8
125.09626	1.8
126.68526	1.4
131.08575	13.1
133.10127	15.9
135.08069	6.6
135.11700	37.1
149.05920	2.1
149.09567	3.6
149.13251	23.2
151.11172	1.6
153.05533	1.9
159.11691	19.2
165.69696	1.7
172.42828	1.9
177.05490	1.8
177.12770	15.2
195.03053	2.1
195.08122	2.3
195.11836	2.8
195.13771	16.0
196.16966	1.5
213.07993	3.2
213.22572	1.4
214.65401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	4.2
55.01873	4.9
55.05513	18.5
56.96562	3.1
57.03428	4.7
57.07070	2.6
59.05001	1.9
65.03938	5.4
67.05505	75.5
69.03432	4.9
69.07069	21.6
71.04997	8.4
71.08630	1.9
71.19359	2.2
71.19679	2.0
75.53703	1.4
79.05492	55.0
80.91566	1.5
81.03416	6.5
81.07056	100.0
82.07388	1.7
83.04970	14.4
83.08618	10.1
85.02898	2.6
85.06538	7.2
87.04479	3.6
89.03925	4.0
89.06027	1.9
91.05484	34.6
91.06022	2.8
93.07043	70.6
95.04976	13.4
95.08604	53.7
97.02826	1.8
97.06530	22.2
97.10164	4.2
99.08103	2.5
103.05460	2.4
104.97352	1.7
105.07019	18.0
107.04958	33.3
107.08597	37.1
109.06516	10.0
109.10164	5.5
111.04478	4.7
111.08081	9.4
115.05444	2.5
117.03405	4.3
117.07021	13.3
119.04946	3.9
119.08585	6.3
121.02886	2.4
121.06492	10.3
121.10135	20.8
123.04453	1.7
123.08086	5.0
123.11676	3.0
125.05972	2.8
131.08554	15.1
133.10129	17.5
135.04456	9.5
135.08040	13.6
135.11687	48.6
137.05981	3.2
137.09610	4.7
139.03906	3.0
139.07509	1.9
139.11208	2.6
145.02835	7.6
145.03917	1.9
149.05984	8.5
149.08528	1.4
149.09552	7.5
149.13258	23.9
151.03998	1.5
151.11232	3.8
153.05486	3.3
153.09148	2.0
159.11694	23.4
163.03946	7.7
163.07544	3.5
165.07016	6.3
167.03336	1.6
167.07030	6.5
167.08571	4.4
177.05478	10.5
177.09140	4.2
177.12759	21.9
177.16412	2.4
180.09384	4.9
195.02895	10.8
195.06512	6.0
195.08133	5.3
195.10266	8.8
195.11790	7.4
195.13846	20.5
195.15607	2.8
195.17511	3.6
196.13298	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03955	5.1
55.01867	5.0
55.05508	20.7
56.96548	1.7
57.03436	5.7
57.07066	4.4
65.03948	2.6
67.05503	66.5
68.05820	1.2
69.03432	2.4
69.06720	1.8
69.07066	21.7
69.07420	2.2
70.84161	1.3
70.84484	2.4
71.01354	1.7
71.04987	7.9
73.02917	1.1
73.06577	1.0
75.75819	1.0
79.05490	49.7
81.02980	1.9
81.03419	24.5
81.07053	100.0
82.07366	1.1
83.04984	17.5
83.08623	7.8
85.02875	1.3
85.06541	3.9
91.05475	34.3
92.05860	1.1
93.07041	66.5
95.04961	9.2
95.08604	37.2
97.06544	12.8
97.10172	1.9
99.04453	1.4
99.08049	1.5
103.05449	1.7
105.07033	13.5
107.04934	3.2
107.08587	34.1
109.06522	4.2
109.10116	5.2
111.08073	6.1
117.07012	11.7
119.08574	4.9
121.06508	7.3
121.10139	14.3
123.08063	1.7
123.11680	2.5
125.09642	2.3
131.08568	13.9
133.10129	15.0
135.08061	6.0
135.11690	33.8
137.09641	1.7
139.06741	1.3
144.09279	1.3
145.10056	1.3
149.09619	2.0
149.13246	15.1
149.97220	1.9
151.11203	2.2
159.11681	13.7
165.06923	1.2
177.05602	2.0
177.12732	9.8
180.09409	1.2
184.32339	1.1
195.02866	3.2
195.06616	1.5
195.10104	1.4
195.11743	3.0
195.13809	11.1
195.17519	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03948	5.0
55.01863	4.7
55.05265	1.7
55.05509	20.6
56.96545	2.8
57.03446	5.6
57.07057	3.2
65.03931	3.2
65.34134	1.0
67.05502	69.4
68.05834	1.3
69.03427	2.4
69.06737	1.7
69.07069	19.0
71.01341	2.5
71.04994	5.7
71.58295	1.9
73.02907	1.0
77.30064	1.0
79.05489	48.0
81.02934	1.2
81.03414	25.6
81.07051	100.0
82.07382	2.2
83.04977	17.3
83.08614	9.2
84.85876	0.9
85.02913	1.5
85.06538	3.5
89.06042	1.3
91.05476	33.7
93.07040	70.9
94.07345	1.3
95.04969	12.1
95.08603	43.5
96.05281	1.5
97.06524	15.1
97.10148	2.0
99.08133	1.1
103.05499	1.6
105.04533	1.0
105.07031	16.0
107.04944	4.0
107.08594	30.3
109.06528	5.5
109.10145	4.4
111.08078	8.0
113.09675	1.5
117.07007	12.4
119.08538	3.4
121.06521	8.6
121.10133	12.2
123.08057	1.8
123.11686	1.7
129.06979	1.2
131.08575	13.6
133.10129	19.2
135.08047	5.9
135.10698	1.7
135.11688	29.9
144.09290	1.2
145.02834	1.2
145.10080	1.5
149.09688	1.8
149.13261	14.0
151.11148	1.9
159.11687	12.4
165.07016	1.4
175.91742	1.0
177.05482	1.5
177.12720	10.3
180.09395	1.2
195.02919	3.8
195.10139	1.9
195.11749	2.7
195.13794	12.9
195.17427	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00309	1.1
53.03934	1.6
55.01863	1.9
55.05513	0.8
57.03436	1.0
65.03931	1.8
67.05498	1.5
68.58066	0.5
69.03422	1.2
69.07053	0.9
69.46488	3.8
70.00824	0.6
70.26335	0.5
71.04996	0.5
75.58576	0.6
78.04698	0.9
79.05492	16.1
81.03431	0.9
81.07030	2.4
83.04987	0.9
91.04909	0.8
91.05476	9.8
92.06287	0.7
93.03417	0.6
93.07032	2.5
95.04955	7.7
95.08599	1.5
103.05463	13.3
105.04501	0.6
105.07030	15.0
107.04951	100.0
107.08602	2.9
108.05288	1.5
109.06516	1.9
109.10153	1.0
110.03612	0.7
111.04429	0.9
115.05447	10.0
116.06216	1.0
117.07018	2.4
119.04934	1.7
120.05715	4.3
121.06508	1.2
121.10117	1.4
122.03661	0.7
123.04414	2.3
124.05225	1.7
125.05972	2.3
131.04910	1.4
133.02824	0.8
133.06508	1.0
135.04419	1.6
135.08046	24.9
135.11679	2.1
137.05954	1.8
137.09584	2.2
139.03877	2.2
139.07523	0.7
145.02869	0.9
145.07599	1.8
147.04395	3.3
148.05125	0.9
149.05923	0.6
149.09637	0.7
151.03896	0.9
152.04660	1.4
153.05447	0.9
154.06256	6.1
163.03865	0.8
163.07542	29.0
165.05449	1.4
167.07043	33.2
168.07358	0.7
177.05472	1.0
177.12708	1.1
180.03101	0.6
180.07811	8.1
195.02856	0.9
195.05475	1.1
195.08342	1.1
195.10164	21.4
195.13789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02390	0.4
53.00306	1.1
53.03943	2.1
53.84375	0.4
55.01868	3.5
55.05512	4.5
56.96561	0.9
57.03427	1.3
57.07072	0.9
61.72579	0.3
65.03939	1.4
66.21865	0.3
67.05504	3.5
69.03426	2.9
69.07064	6.9
71.04988	1.8
71.58154	0.5
77.03929	0.6
78.04709	1.0
79.05489	18.1
81.03419	2.0
81.07055	7.5
82.07397	0.4
83.04969	1.9
83.08630	2.0
84.16964	0.4
85.02885	0.8
85.06535	1.5
89.03909	0.5
91.05476	12.0
92.06278	0.7
93.03409	0.8
93.07037	7.9
95.04963	9.5
95.08599	6.6
97.02909	0.9
97.06527	1.2
97.10139	1.1
98.97608	0.5
99.08084	4.9
102.04684	0.5
103.05462	11.5
105.03391	0.8
105.04504	0.8
105.07024	14.2
106.04186	0.4
107.04949	100.0
107.08586	10.1
108.05298	1.4
109.02920	0.5
109.06500	2.3
109.07674	0.5
109.10165	3.2
110.03603	0.6
110.07254	0.4
111.04430	2.5
111.05535	0.5
111.08058	2.3
111.11731	0.8
113.09647	0.6
115.05449	8.2
116.06251	0.7
116.98656	0.6
117.03375	0.9
117.07008	3.6
119.04907	1.4
119.08561	1.3
119.85698	0.4
120.05692	2.9
121.01080	0.8
121.02851	0.8
121.06506	2.4
121.10139	7.0
123.04422	3.8
123.08036	1.3
123.11691	1.0
124.05194	2.4
125.05987	2.9
125.09637	3.8
131.04922	0.8
131.08563	1.6
133.02844	1.2
133.06462	1.2
133.10124	0.8
135.04428	3.0
135.08046	25.5
135.11679	4.4
136.08382	0.5
137.05980	3.5
137.09619	2.2
137.13243	1.6
139.03868	2.9
139.07533	0.8
139.11160	0.8
145.02840	1.1
145.06509	0.5
145.07582	1.4
147.04417	3.3
148.05200	1.2
148.97261	0.6
149.02316	0.4
149.05948	1.9
149.09566	2.1
149.13237	1.2
151.03888	1.1
151.07555	1.4
152.04675	1.6
152.06039	0.4
153.05452	1.6
153.09131	0.4
153.12833	0.5
154.06248	7.0
159.11693	0.7
163.03912	1.1
163.07541	27.1
164.08211	0.5
165.05473	1.9
165.06987	1.3
167.07033	33.3
177.05481	2.1
177.09109	2.1
177.12727	1.8
177.16373	4.1
180.07813	7.1
180.09274	0.6
195.01079	1.5
195.02869	1.8
195.06464	1.6
195.08255	1.3
195.10147	23.5
195.11696	1.3
195.13785	1.9
195.17395	1.4
196.10536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.39106	0.6
53.03939	2.4
55.01866	2.5
55.05515	3.1
56.05031	0.8
56.38762	0.6
56.96565	9.8
57.03414	1.0
57.07072	1.5
59.04991	1.3
59.17934	0.6
65.03931	1.4
65.39681	0.6
67.02969	0.7
67.05502	4.2
68.99789	1.1
69.03416	3.2
69.07056	4.0
70.06598	1.5
71.01362	0.6
71.04996	0.9
71.14933	1.2
73.02924	1.4
77.03880	0.7
78.04671	0.7
79.05490	12.9
81.03414	2.3
81.04515	1.2
81.07052	4.0
83.04966	2.1
83.08588	1.0
84.04495	1.1
84.08148	1.0
85.02906	1.9
88.94008	0.6
89.03905	1.1
89.06049	1.1
91.04953	1.1
91.05474	9.6
93.03375	0.9
93.07042	8.7
95.04962	6.9
95.06054	1.0
95.08602	3.2
97.02900	2.1
97.06514	4.5
97.07664	0.9
97.35075	0.6
98.97578	10.5
99.04460	0.8
99.05560	0.7
99.94811	0.6
103.05462	15.7
105.03399	0.8
105.04511	1.0
105.07027	9.8
107.04951	100.0
107.08586	9.1
108.05418	0.6
109.02861	1.1
109.06509	1.8
109.07596	0.6
109.10156	3.6
111.04433	2.3
111.05601	1.4
111.08080	1.5
115.05457	6.9
116.98611	12.0
117.03378	1.4
117.06993	2.3
119.01859	1.1
119.04967	0.8
119.08566	0.8
120.05707	5.3
121.02850	1.8
121.06507	3.4
121.10155	2.3
122.07133	1.0
123.04410	1.1
123.08053	0.7
124.05216	0.8
125.05988	2.3
127.03845	0.8
128.02281	1.0
128.98662	1.4
131.04929	6.4
131.08566	1.0
133.02846	1.2
133.06503	1.9
134.99663	10.7
135.04428	2.8
135.08049	31.5
135.11679	3.7
136.05042	1.0
136.08551	0.6
137.05949	1.8
137.09520	0.9
138.06656	0.7
139.03885	2.8
139.07581	1.0
145.02838	2.6
145.07597	3.1
146.99660	2.2
148.05165	0.7
148.97321	0.9
149.01239	1.0
149.02356	1.1
149.05952	3.3
149.09612	3.3
151.07521	0.7
153.00720	1.9
153.05481	4.3
153.09106	1.1
153.12755	1.3
154.06207	2.9
158.01353	0.7
158.99603	3.9
159.08028	1.0
163.03906	2.4
163.07539	49.9
164.07945	1.2
165.00719	0.9
165.05516	1.1
167.03363	1.3
167.07060	10.3
167.08452	0.9
168.26566	0.7
177.00668	7.9
177.01920	0.8
177.04172	0.8
177.05515	3.7
177.09126	2.9
177.12737	1.2
178.04945	0.9
180.07809	1.9
180.09279	0.8
182.94962	0.6
195.03027	4.8
195.06473	2.4
195.08244	1.7
195.10118	10.2
195.11626	0.6
195.13814	1.4
195.15710	1.4
200.02356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	F 11334A3
Peak:m/z	Relative Intensity
50.74802	3.5
51.02383	3.9
53.00276	4.9
53.03933	16.0
54.53029	3.3
55.01865	24.0
55.05507	37.4
56.05011	5.0
56.96564	33.9
57.03437	10.3
57.07062	14.5
62.59491	3.0
65.03937	24.1
66.43791	3.6
67.05503	36.3
68.05013	4.3
68.99787	10.0
69.03427	24.9
69.04527	3.4
69.07068	25.6
69.85626	24.3
70.06580	6.7
71.04996	9.5
72.08158	3.8
73.02890	5.6
78.04733	3.6
79.05063	7.0
79.05497	93.0
79.05960	6.2
80.05009	4.2
81.03421	20.0
81.07053	54.1
81.82948	3.6
83.04960	20.3
83.06079	7.6
83.08607	5.8
85.02886	12.3
85.06525	5.8
89.03896	8.7
89.06022	6.0
91.05476	67.2
93.03405	11.2
93.07040	90.0
95.04967	47.7
95.08607	28.4
97.02878	12.3
97.06512	16.6
97.07632	9.4
98.20824	5.9
98.97601	19.0
99.04416	9.5
103.05460	21.6
105.03364	5.0
105.07027	51.1
106.04171	4.9
107.04948	75.7
107.08595	64.6
108.05576	5.6
109.02889	6.9
109.06504	29.4
109.07597	7.4
109.10129	13.4
110.06025	4.6
111.04449	35.4
111.05551	10.9
111.08057	13.8
111.09186	5.6
116.98617	18.4
117.03377	14.1
117.07000	6.5
119.04918	5.4
119.08544	13.8
121.02868	37.2
121.06502	38.3
121.09314	7.1
121.10140	89.0
122.07138	5.0
123.04468	19.0
123.08046	23.7
123.11669	11.2
125.05969	25.2
125.06994	6.2
127.03888	8.9
128.00012	3.8
128.98555	5.2
131.04915	10.2
131.08563	38.5
133.02843	13.8
133.06538	4.9
133.07545	4.6
133.10153	7.3
134.99640	16.8
135.04413	29.6
135.08049	45.6
135.11667	21.4
136.08727	6.6
137.05989	27.6
137.09578	15.7
137.10645	4.3
138.03104	8.1
138.06590	5.6
139.03891	34.3
139.04933	7.5
139.07552	9.1
139.11172	10.3
141.05453	11.7
145.02820	23.0
146.99648	4.4
148.97314	11.9
149.02347	36.3
149.05972	60.4
149.08400	6.8
149.09610	100.0
149.13170	7.3
150.06531	7.4
150.09012	4.3
151.03876	5.2
151.07523	8.3
151.11191	5.3
152.04622	3.9
153.01894	5.5
153.05460	87.0
153.09071	8.7
154.06075	4.5
158.26578	4.5
158.99716	6.9
159.07990	5.2
159.11690	4.0
161.01198	5.2
163.03918	28.9
165.05548	4.9
165.06909	5.5
167.03369	14.5
167.07025	19.4
167.08397	6.8
167.10666	11.0
177.00690	6.8
177.01927	48.7
177.04111	3.9
177.05496	53.7
177.09085	39.1
177.12784	9.8
178.05022	11.2
179.78546	4.3
185.73592	3.8
195.01167	9.7
195.02910	82.7
195.06480	20.5
195.08408	15.2
195.10173	51.4
195.11960	8.1
195.13802	11.6
195.15744	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.30603	2.9
53.03942	7.5
55.01870	6.0
55.05510	52.6
57.03424	5.3
57.07060	12.4
59.04981	4.7
59.59193	2.9
65.03922	5.3
67.05173	5.2
67.05502	65.1
69.03427	21.6
69.07072	31.9
71.03098	8.1
71.04993	7.1
79.05491	30.4
81.03415	84.7
81.07059	62.1
83.04980	39.3
83.08610	24.4
85.06542	9.0
91.05489	34.1
93.07039	43.1
95.04960	32.1
95.07989	4.2
95.08602	82.2
97.06548	7.5
98.97557	3.4
103.05460	4.3
105.07031	61.7
107.04950	8.8
107.08590	68.3
109.06514	36.8
109.10154	100.0
111.08075	21.3
115.05463	6.1
117.07034	3.2
118.04136	3.3
119.08578	88.6
121.10142	41.1
122.03633	3.2
123.08065	67.8
123.11717	15.6
129.07001	9.9
131.08525	8.3
133.02846	13.9
133.06558	16.0
133.10133	70.9
135.11691	90.4
137.05923	5.0
137.09613	45.3
145.10168	3.9
147.08040	6.7
147.11699	11.8
149.09633	6.3
149.13268	24.8
151.11165	14.9
151.14813	14.6
157.10095	5.8
161.05968	13.6
165.05585	4.3
165.16457	4.8
175.07484	3.2
175.11099	3.7
175.14835	56.9
178.02631	6.4
193.04979	22.7
193.08612	8.1
193.12219	10.2
193.14197	5.4
193.15895	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01867	4.0
55.05510	53.0
57.03457	2.6
57.07070	10.5
59.05027	4.1
67.05508	36.6
69.03413	6.8
69.07069	18.7
70.60838	4.4
70.61233	4.1
71.04993	9.6
71.08645	2.9
73.60593	1.9
79.05492	17.7
80.05836	2.6
80.79046	2.4
81.03425	4.2
81.07059	31.9
82.07392	2.6
82.73618	1.9
83.04979	93.2
83.08598	8.5
85.06535	13.7
91.05489	16.7
93.07039	25.8
95.04978	9.6
95.08602	55.1
97.06504	4.8
103.05464	3.3
105.07024	47.6
106.07380	2.6
107.05009	2.0
107.07887	2.4
107.08591	35.4
108.08952	2.3
109.06552	12.8
109.10153	100.0
111.08105	4.8
115.05458	7.7
115.98611	1.7
118.04169	3.7
119.08579	39.4
121.10145	23.3
123.08073	33.2
123.11694	20.5
125.09628	3.6
133.02855	8.1
133.06482	21.2
133.09137	3.1
133.10123	52.3
134.10490	4.3
135.10786	3.4
135.11685	50.5
137.09612	26.7
138.10410	4.8
139.11194	2.7
147.11690	8.7
149.05980	3.1
149.13237	7.4
151.11241	10.3
151.14818	20.0
161.05977	16.8
165.16393	7.2
175.07564	4.6
175.14841	36.5
178.02689	4.0
193.04933	15.6
193.08623	7.1
193.12192	3.7
193.15898	92.7
194.16295	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	5.7
55.01865	5.0
55.05267	2.3
55.05512	38.4
57.03436	2.6
57.07067	5.7
59.04985	4.6
65.03923	3.8
67.05503	75.0
68.05856	2.2
69.03413	5.5
69.07069	12.8
70.35604	3.3
70.35997	2.2
71.04990	4.3
79.05489	24.0
79.92891	1.2
81.03421	28.8
81.03854	1.0
81.07053	35.2
82.35670	1.4
83.04980	17.4
83.08602	6.9
85.06539	20.6
91.05483	27.1
91.06023	2.6
92.88420	1.4
93.07044	29.5
94.04201	2.7
95.04964	25.3
95.08607	49.6
96.08943	1.5
97.06546	3.5
97.10236	1.4
98.53623	1.5
99.08095	50.8
103.05452	10.6
105.07027	69.7
106.04175	1.3
106.06566	1.3
106.07306	2.0
107.04950	3.4
107.06921	3.4
107.08598	25.6
108.08896	1.7
109.06507	10.7
109.10154	100.0
110.10457	2.3
111.08093	5.8
115.05460	13.8
117.07038	4.3
118.04182	5.1
119.04949	2.8
119.08579	38.5
121.06496	3.4
121.10146	11.6
122.03675	2.7
123.04433	3.0
123.08086	12.0
123.11697	7.2
124.08361	1.5
129.06999	4.0
131.04918	3.4
131.08591	6.2
132.05765	1.8
133.02843	16.7
133.06500	45.7
133.10123	46.4
133.11081	2.8
134.06006	2.6
134.10403	1.5
135.04391	1.4
135.08043	6.0
135.10739	1.2
135.11699	21.8
137.06003	8.9
137.09616	80.3
137.13202	1.4
138.10371	1.9
142.07816	1.9
143.06052	3.6
145.10152	1.5
147.04443	2.6
147.08063	4.0
147.11687	11.5
149.06010	1.9
149.09656	2.9
149.13306	5.1
150.03101	3.2
151.11201	8.5
151.14851	4.9
157.10272	2.5
160.08888	1.6
161.05974	32.6
163.70868	1.3
164.84760	1.5
165.05518	3.5
165.09096	2.0
165.12704	2.0
175.03891	1.6
175.07585	2.3
175.11200	6.2
175.14856	25.5
178.02649	11.0
193.04948	39.4
193.06764	2.5
193.08578	10.8
193.10193	1.4
193.10756	1.5
193.12262	11.6
193.15929	58.7
194.05386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	4.2
53.74539	1.9
55.01860	2.3
55.05507	29.3
57.07074	6.0
59.05001	4.3
61.71748	1.7
65.03957	3.7
67.05171	3.3
67.05502	40.8
69.03429	20.4
69.07069	20.1
70.00921	8.9
71.04967	4.7
79.05495	24.5
81.03418	53.8
81.07053	47.4
83.04982	26.7
83.08634	13.8
85.06536	4.7
91.05482	25.0
93.07034	25.1
95.04971	24.7
95.08601	39.5
97.06533	5.6
97.10148	2.3
99.08055	2.3
103.05451	12.0
104.06219	2.5
105.03416	2.0
105.07026	56.6
107.04935	4.0
107.08589	38.4
108.08852	2.6
109.06514	20.2
109.10154	100.0
111.08105	10.0
115.05453	7.9
117.07004	3.2
118.04179	4.1
119.08576	49.5
121.06522	1.9
121.10139	25.7
123.08069	39.4
123.11691	14.2
123.22254	2.5
129.06985	4.8
131.08542	5.7
133.02855	18.5
133.06485	33.5
133.09131	2.4
133.10126	43.0
135.08041	2.2
135.11685	42.9
136.82036	2.0
137.05972	7.0
137.09619	27.2
138.10378	4.3
145.10126	3.1
147.08005	3.5
147.11667	18.7
149.05965	2.7
149.09627	2.6
149.13254	9.3
151.11183	9.9
151.14871	4.7
155.85295	1.9
157.10146	3.7
161.05994	16.7
165.12822	2.6
165.16399	2.1
175.07568	5.5
175.11172	5.8
175.14822	32.1
178.02626	9.7
180.99446	2.6
193.04942	30.7
193.08568	13.1
193.12209	9.3
193.15878	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.30187	1.1
53.03944	8.5
55.01874	7.0
55.05270	1.4
55.05515	26.2
57.03419	4.7
57.07069	6.5
59.04994	3.0
65.03930	4.6
67.05502	53.6
68.99750	1.3
69.03429	9.7
69.06721	2.1
69.07064	23.9
69.99245	8.1
71.04994	6.2
79.05487	39.5
81.03414	81.8
81.06590	2.0
81.07055	40.5
82.03753	2.4
83.04975	13.7
83.08611	20.2
85.06532	5.8
91.05480	45.5
92.05805	1.8
93.07041	35.3
94.04241	1.9
94.07393	1.2
95.04366	2.6
95.04967	42.7
95.08604	50.2
97.02892	2.3
97.06540	5.1
97.10116	3.2
98.21443	1.3
99.08086	4.4
103.05475	12.1
104.06218	2.3
105.03377	2.9
105.04491	1.9
105.07029	97.0
106.76636	1.8
107.04944	10.1
107.08595	35.0
108.08884	1.5
109.06508	17.0
109.10153	50.8
111.04440	2.9
111.08095	6.9
115.05454	12.7
117.07057	6.3
118.04165	6.2
119.04926	5.4
119.08579	93.2
120.08905	1.5
121.06489	6.0
121.10141	22.6
121.49868	1.3
122.03619	3.9
123.04407	2.0
123.08059	18.8
123.11710	10.3
125.09615	2.3
127.39923	1.2
129.07004	9.8
131.04903	2.2
131.08586	9.8
133.02858	22.7
133.05496	1.8
133.06496	38.1
133.10127	100.0
134.10478	2.2
135.08034	6.8
135.11687	48.6
135.12718	2.5
136.12070	1.7
137.05989	11.2
137.08556	1.2
137.09610	25.6
142.07787	3.0
143.05968	2.2
145.10117	5.7
147.04437	1.6
147.08034	7.7
147.11690	36.8
149.02332	5.9
149.06000	3.2
149.09607	5.8
149.13272	10.2
150.03137	3.7
150.06732	3.7
151.07465	1.8
151.11189	8.8
151.14798	4.9
157.10126	6.5
159.11659	2.1
160.12509	3.2
161.05966	23.6
165.05479	4.6
165.09114	6.5
165.12814	2.3
173.13148	2.3
175.07597	6.2
175.11244	10.0
175.14827	86.5
178.02620	14.4
178.06122	1.5
193.01250	1.6
193.04967	54.0
193.08598	15.8
193.10194	2.2
193.10495	2.2
193.12245	17.0
193.15887	46.5
193.17650	2.5
194.05373	4.3
194.15404	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03949	3.1
55.05508	13.8
57.03418	2.2
57.07065	6.5
58.67777	1.2
59.04993	1.5
61.23573	1.2
65.03934	1.7
67.05501	24.7
69.03424	3.4
69.07062	17.7
70.15027	6.8
70.75103	1.5
71.04992	1.5
71.39174	1.4
77.03902	1.5
79.05493	10.2
80.65472	1.4
81.03413	18.8
81.07049	15.4
83.04986	3.0
83.08617	6.1
85.02947	1.5
85.06547	5.4
88.26153	1.6
91.05474	20.5
93.07041	19.0
94.04213	1.5
95.04970	8.5
95.08602	31.5
97.06505	2.0
99.08087	4.0
103.05463	2.0
105.07021	37.5
106.07388	1.9
107.04939	2.7
107.08572	18.9
109.06508	5.5
109.10153	36.8
111.08067	2.1
113.84303	1.5
115.05482	4.1
117.07033	4.6
119.08575	78.8
120.08860	2.3
121.06519	2.2
121.10152	9.9
122.03678	2.1
123.08085	7.5
123.11689	2.7
129.07007	3.2
131.08568	5.6
133.02866	9.9
133.06488	10.4
133.10123	90.7
134.10576	1.7
135.11685	27.0
137.05974	5.4
137.09612	16.2
145.10126	7.3
147.06387	2.1
147.11691	22.0
149.09535	1.7
149.13261	7.9
150.03064	2.2
151.11200	3.3
151.14810	5.2
157.10068	1.9
157.76314	1.5
158.59319	1.4
159.11638	2.2
160.12479	5.0
161.05957	8.1
173.07399	1.3
173.13245	3.7
175.11319	3.5
175.14818	100.0
175.66559	1.3
176.15190	4.4
178.02603	9.5
181.29080	1.4
193.04948	19.6
193.08615	4.1
193.12306	4.6
193.15900	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02375	2.2
53.03942	7.3
55.01872	9.3
55.05508	25.8
56.96564	2.7
57.03419	4.8
57.07070	6.6
59.04985	1.8
64.23875	1.9
65.03937	6.5
67.05505	47.4
68.99774	2.3
69.03426	14.4
69.07056	17.0
70.92108	5.8
71.04988	8.0
77.03914	2.1
79.05493	37.4
81.03416	86.8
81.07050	43.7
83.04977	24.2
83.08622	19.9
85.06516	4.3
91.05479	49.8
93.07040	30.7
94.07377	2.1
95.04963	43.5
95.08604	46.1
97.06544	4.8
97.10171	2.8
103.05483	11.6
105.03360	2.9
105.07031	100.0
106.07355	1.8
107.04934	11.6
107.08591	35.1
109.06507	24.1
109.10160	50.1
111.04483	4.0
111.08077	11.1
115.05437	14.0
117.07040	4.5
118.04179	8.2
119.08578	52.0
121.06541	4.0
121.10139	24.5
122.03659	6.7
123.04424	2.2
123.08065	39.5
123.11665	8.8
125.09650	2.8
128.06221	3.6
129.07005	11.8
131.04913	2.2
131.08578	5.9
132.05745	3.1
133.02846	25.3
133.06490	50.9
133.07451	3.9
133.10126	47.7
134.06792	2.3
135.04427	2.0
135.08066	4.4
135.11691	44.7
136.12057	1.8
137.06018	13.1
137.09610	23.9
138.10345	4.1
142.07819	4.1
143.05995	3.5
145.10144	3.2
145.52670	1.8
147.04427	4.5
147.08055	7.2
147.11694	24.7
149.02370	2.0
149.05988	3.7
149.09712	4.0
149.13280	11.9
150.03130	4.3
151.03836	2.1
151.07549	2.5
151.11176	8.3
151.14851	4.6
156.46198	1.7
157.10149	7.8
160.05179	2.7
161.05983	32.9
165.05518	4.6
165.09131	2.8
165.12808	4.8
175.07579	13.9
175.11197	11.5
175.14861	29.7
178.02628	18.5
193.04973	52.6
193.06792	3.5
193.08598	16.3
193.10187	2.3
193.12231	14.6
193.15988	50.6
194.05328	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.73133	1.0
53.03931	2.5
55.01857	2.0
55.05308	1.0
55.05503	11.4
56.27089	1.0
56.96542	3.4
57.07053	3.6
57.86651	1.3
59.04983	1.4
67.05511	14.3
69.03422	2.0
69.07066	23.6
69.95078	3.1
69.95493	3.5
70.16375	1.2
71.04994	18.4
79.05485	12.3
81.03406	5.1
81.07049	29.6
83.04987	2.6
83.08604	5.4
85.06537	15.2
91.05472	12.3
93.07038	26.6
95.04967	38.7
95.08601	23.6
97.06503	3.2
97.10157	7.9
98.21412	1.5
99.08070	3.9
99.64789	1.4
103.05448	1.4
105.07022	16.2
107.07873	1.9
107.08588	35.9
108.08895	1.1
109.06512	100.0
109.10151	13.7
111.08065	6.5
111.11705	2.9
115.05408	2.1
117.06994	1.9
119.08578	29.4
121.10130	7.8
123.08058	10.2
123.11715	19.2
124.12075	1.7
126.20279	1.2
131.08542	2.7
133.02850	7.6
133.06427	2.6
133.10121	32.0
134.10443	1.9
135.10687	2.2
135.11682	30.7
137.05952	3.9
137.09612	17.1
147.11758	5.5
149.02327	3.7
149.13231	7.5
150.03139	1.6
150.10408	1.6
151.11182	7.1
151.14835	1.7
159.40639	1.3
160.77489	1.2
161.06006	2.3
165.05498	1.9
175.11177	2.5
175.14816	32.1
178.02596	7.2
191.34761	1.2
193.04977	16.5
193.08607	1.3
193.10561	1.1
193.12167	6.2
193.15865	43.4
193.17648	2.6
194.15474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.2
53.03942	7.3
55.01872	9.3
55.05508	25.8
56.96564	2.7
57.03419	4.8
57.07070	6.6
59.04985	1.8
64.23875	1.9
65.03937	6.5
67.05505	47.4
68.99774	2.3
69.03426	14.4
69.07056	17.0
70.92108	5.8
71.04988	8.0
77.03914	2.1
79.05493	37.4
81.03416	86.8
81.07050	43.7
83.04977	24.2
83.08622	19.9
85.06516	4.3
91.05479	49.8
93.07040	30.7
94.07377	2.1
95.04963	43.5
95.08604	46.1
97.06544	4.8
97.10171	2.8
103.05483	11.6
105.03360	2.9
105.07031	100.0
106.07355	1.8
107.04934	11.6
107.08591	35.1
109.06507	24.1
109.10160	50.1
111.04483	4.0
111.08077	11.1
115.05437	14.0
117.07040	4.5
118.04179	8.2
119.08578	52.0
121.06541	4.0
121.10139	24.5
122.03659	6.7
123.04424	2.2
123.08065	39.5
123.11665	8.8
125.09650	2.8
128.06221	3.6
129.07005	11.8
131.04913	2.2
131.08578	5.9
132.05745	3.1
133.02846	25.3
133.06490	50.9
133.07451	3.9
133.10126	47.7
134.06792	2.3
135.04427	2.0
135.08066	4.4
135.11691	44.7
136.12057	1.8
137.06018	13.1
137.09610	23.9
138.10345	4.1
142.07819	4.1
143.05995	3.5
145.10144	3.2
145.52670	1.8
147.04427	4.5
147.08055	7.2
147.11694	24.7
149.02370	2.0
149.05988	3.7
149.09712	4.0
149.13280	11.9
150.03130	4.3
151.03836	2.1
151.07549	2.5
151.11176	8.3
151.14851	4.6
156.46198	1.7
157.10149	7.8
160.05179	2.7
161.05983	32.9
165.05518	4.6
165.09131	2.8
165.12808	4.8
175.07579	13.9
175.11197	11.5
175.14861	29.7
178.02628	18.5
193.04973	52.6
193.06792	3.5
193.08598	16.3
193.10187	2.3
193.12231	14.6
193.15988	50.6
194.05328	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03934	11.7
55.01871	9.0
55.05508	17.0
56.96339	3.2
56.96566	39.8
57.03433	6.2
57.07061	7.5
57.93777	2.9
65.03934	6.1
67.05505	52.5
67.51545	3.2
69.03424	7.9
69.07045	12.7
70.03042	18.4
71.04984	7.3
79.05512	30.3
81.03421	100.0
81.07056	41.8
83.04969	16.2
83.08611	16.5
91.05491	49.7
93.07038	25.7
94.29811	3.8
95.04971	49.5
95.08620	23.2
97.02934	3.5
103.05473	6.2
105.07028	62.1
105.40278	3.4
107.04964	10.1
107.08595	15.5
109.06526	17.7
109.10139	17.1
111.08071	5.5
115.05405	10.8
116.03078	3.6
117.06995	4.4
118.04156	4.6
119.04974	4.8
119.08586	31.6
121.06489	5.9
121.10119	9.6
123.04527	6.0
123.08054	9.6
123.11677	5.6
129.06992	12.2
131.08530	10.5
133.02840	28.7
133.06477	26.4
133.10141	31.5
135.08015	5.0
135.11714	8.2
137.06078	17.4
137.09627	6.7
146.97401	9.4
147.04414	4.0
147.08025	8.9
147.11707	15.3
149.02341	10.3
149.06035	6.0
149.09601	4.3
149.13289	5.0
150.03154	7.3
151.07510	7.4
151.11163	5.3
157.10117	8.4
161.06038	18.2
165.05458	6.6
165.12634	4.2
169.99005	3.5
175.03958	4.9
175.11162	12.8
175.14832	8.3
178.02588	23.3
178.89087	3.5
181.97081	3.5
182.07762	6.7
193.04980	75.6
193.08559	13.1
193.10365	4.4
193.12199	24.3
193.15959	17.5
193.17664	4.1
194.37918	3.0
203.95808	2.9
207.05318	3.1
214.52090	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02371	1.6
52.88059	1.1
53.03931	3.9
55.01865	5.9
55.05509	20.0
56.96549	2.1
57.03428	3.4
57.07072	6.9
59.04981	2.5
60.38601	1.0
60.59007	1.1
61.27525	1.0
65.03938	5.7
67.05505	31.2
69.03433	7.5
69.07068	18.1
69.20671	1.1
69.54257	7.2
69.54662	2.2
71.05000	7.6
71.73546	1.0
77.03913	1.9
79.05488	33.2
81.03414	42.8
81.07059	30.4
83.04980	10.4
83.08620	8.7
85.06533	4.3
90.04690	1.2
91.05477	42.2
93.07039	31.6
94.04160	1.5
94.07306	1.2
95.04966	25.5
95.08606	43.1
97.02901	1.2
97.06521	4.2
97.10140	1.9
98.21499	2.3
99.08086	2.1
103.05462	15.9
104.06246	2.3
105.03377	3.2
105.07028	100.0
106.07357	3.2
107.04967	9.2
107.07870	1.6
107.08591	30.9
109.06515	16.2
109.10152	42.2
110.10533	1.3
111.04427	2.1
111.08054	4.5
115.05463	11.1
117.07003	7.6
118.04184	9.9
119.04950	4.5
119.08580	88.2
120.05727	1.7
120.08855	1.6
121.06520	6.0
121.09335	1.7
121.10145	18.4
122.03650	4.0
122.07253	2.4
123.04395	1.9
123.08076	17.0
123.11702	8.7
125.06063	1.5
125.09621	1.5
129.06995	5.2
131.04977	2.7
131.08566	9.9
132.05698	3.2
133.02849	18.4
133.06493	45.2
133.10129	98.4
134.10504	2.4
135.04410	2.8
135.08044	6.7
135.11693	36.3
137.05988	12.7
137.09612	19.6
139.93796	1.2
142.07755	2.8
143.06038	2.1
145.10173	7.4
147.04410	3.4
147.08044	3.4
147.11685	31.8
148.05193	1.9
148.11972	1.7
149.02356	7.2
149.03389	1.7
149.05986	3.3
149.09645	5.6
149.13243	10.6
150.03094	2.8
150.06729	7.0
151.03822	1.7
151.07518	1.7
151.11172	4.8
151.14813	4.1
157.10107	5.3
160.12445	3.8
161.05974	27.8
165.05405	3.2
165.09114	13.2
165.12727	2.4
173.13280	1.5
175.07523	6.5
175.11243	7.5
175.14824	99.2
176.03432	1.7
176.15150	2.2
178.02597	10.6
178.06064	1.3
193.04955	46.5
193.08583	22.2
193.10396	2.4
193.12219	13.6
193.15880	45.4
193.27687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02376	0.7
53.03943	4.2
55.01875	4.7
55.05510	11.4
56.96561	0.9
57.03432	3.0
57.07065	0.9
65.03940	3.6
66.04748	0.4
67.05502	30.6
68.99797	0.7
69.03433	5.4
69.07066	3.6
69.46896	0.8
69.47318	2.3
71.01350	0.9
71.04981	2.4
72.98950	0.4
77.03946	0.8
79.05490	23.2
80.05813	0.6
80.51750	0.4
80.97377	0.4
81.03415	100.0
81.07051	17.4
82.03755	1.1
83.04977	6.3
83.08613	10.0
85.06554	0.6
91.05477	30.8
93.03413	0.4
93.07037	12.2
94.07397	0.4
95.01335	0.7
95.04964	40.6
95.08601	6.4
96.05305	0.8
97.02905	2.1
97.06538	2.1
97.10160	1.1
99.08079	0.5
103.05466	4.6
104.06250	1.1
105.03384	0.9
105.07025	33.6
106.07346	0.5
107.04956	10.9
107.08593	7.2
109.02898	0.5
109.06505	5.6
109.10146	6.6
111.04436	2.5
111.08091	2.3
113.06023	0.4
115.05448	6.4
116.06266	0.7
117.07013	2.5
118.04153	2.5
119.04955	2.1
119.08576	15.9
121.06505	2.7
121.10144	5.1
122.03648	1.3
123.04430	1.1
123.08073	3.6
123.11719	1.3
128.06229	2.9
129.07011	10.9
131.04935	1.1
131.08563	7.7
132.05760	1.8
133.02849	6.7
133.06483	19.7
133.10120	11.4
133.11089	0.7
134.03575	1.0
135.04428	0.5
135.08046	1.4
135.11681	4.1
137.04987	0.6
137.05974	4.1
137.09612	3.6
138.10327	0.5
142.07768	2.8
143.05997	0.7
145.06479	0.8
145.10121	1.0
146.97409	0.5
147.04391	2.5
147.08035	10.2
147.11679	6.2
149.02309	0.8
149.05974	4.2
149.09605	4.6
149.13237	1.0
150.03125	1.3
151.03902	0.4
151.07570	0.5
151.11162	1.3
151.14809	0.4
157.06483	0.5
157.10136	6.3
160.05188	1.1
161.05980	11.7
165.05516	1.8
165.09100	0.6
165.12782	1.3
175.07542	28.7
175.11139	5.8
175.14815	4.5
176.07925	1.2
178.02620	4.1
178.07745	0.8
193.04955	14.8
193.08582	6.9
193.10143	0.6
193.12241	8.3
193.15887	4.7
194.05276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02370	1.1
53.03944	7.1
55.01875	4.3
55.05510	11.4
56.96558	1.8
57.03441	3.2
57.07072	1.4
59.05001	0.7
65.03931	3.5
67.05505	34.3
69.03425	3.6
69.07078	6.1
69.53246	4.6
71.01352	0.7
71.04993	5.0
77.03917	0.7
79.05492	38.1
81.03417	100.0
81.07053	20.9
82.03742	0.9
83.04978	6.7
83.08617	12.2
83.09116	0.7
83.38867	0.5
85.06560	1.8
87.04421	0.8
89.03948	0.7
91.05479	57.2
92.05830	1.1
93.07041	35.5
94.04183	0.8
95.04964	46.0
95.08607	7.1
96.05335	0.6
97.02885	2.8
97.06540	2.4
97.10185	0.9
99.08072	0.9
103.05501	3.4
105.03389	0.7
105.04523	1.9
105.07030	39.8
106.07336	1.1
107.04963	9.4
107.08601	5.2
109.06520	6.7
109.10151	4.1
111.04446	2.5
111.08066	2.9
113.06013	1.4
115.05419	3.9
117.07012	3.3
117.17114	0.6
118.04189	0.8
119.04941	1.9
119.08575	20.5
120.08925	0.6
121.06476	3.3
121.10132	4.9
122.03635	0.7
123.04452	1.1
123.08070	3.2
126.36142	0.6
128.06203	1.5
129.07014	14.5
129.07924	1.1
131.04901	0.9
131.08566	15.9
133.02846	6.0
133.06494	10.1
133.10130	37.7
134.10498	0.9
135.08052	1.4
135.11694	2.7
137.05974	4.8
137.09633	2.8
139.28583	0.6
141.07018	0.6
142.07794	3.7
143.06171	0.8
145.10112	1.2
146.97496	0.8
147.04422	1.6
147.08043	7.4
147.11687	13.8
149.02356	1.0
149.06007	3.0
149.09608	4.2
150.03148	1.2
151.07571	1.5
151.11230	0.8
157.10133	11.8
161.05978	5.5
163.07506	4.1
164.07970	1.1
165.05449	1.5
165.12836	1.0
175.07556	8.1
175.11182	11.6
175.14848	2.1
178.02618	5.0
178.07829	1.3
185.49289	0.6
192.57181	1.0
193.04945	15.6
193.06679	0.8
193.08611	3.3
193.10223	1.5
193.12225	13.6
193.15955	3.1
193.17725	1.2
194.05281	0.8
194.08101	0.6
194.15367	1.4
210.06795	0.7
211.06465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02374	0.9
53.03937	5.5
54.66051	0.6
55.01870	4.2
55.05511	10.5
56.96552	0.9
57.03424	2.4
57.07061	1.2
57.67142	0.6
65.03928	3.1
67.05502	31.2
69.03413	4.0
69.07065	5.8
70.24336	1.2
70.24733	1.2
71.04994	3.6
74.33768	0.5
77.03919	0.8
79.02525	0.6
79.05004	0.8
79.05487	30.6
81.03412	100.0
81.07050	18.9
82.03767	0.8
83.04977	6.3
83.08614	11.4
85.02899	0.8
85.06522	1.1
91.05475	40.4
92.05812	0.6
93.07038	25.7
95.04962	41.0
95.08601	6.3
96.85045	0.7
97.02891	2.2
97.06539	2.1
103.05482	2.6
105.04519	1.0
105.07027	30.8
107.04936	9.0
107.08586	6.3
109.06490	4.8
109.10177	2.9
111.04453	2.1
111.08063	2.6
114.44398	0.6
115.05437	3.8
117.07026	1.6
118.04201	0.8
119.04945	1.6
119.08572	16.6
121.06499	2.5
121.10143	3.6
123.04466	0.6
123.08054	2.8
123.11691	1.1
128.06226	1.1
129.06985	10.9
129.07890	0.8
131.08559	12.4
133.02847	5.9
133.06474	8.5
133.10124	25.0
135.08109	0.9
135.11694	2.7
137.05994	2.6
137.09616	1.9
142.07755	4.1
145.10107	1.3
146.97462	0.7
147.04373	0.8
147.08067	5.7
147.11688	9.0
149.02361	1.3
149.09618	4.5
150.03188	0.7
151.07536	1.3
151.11185	1.4
157.10115	8.6
161.04750	0.6
161.05940	3.7
165.12750	0.8
175.07541	2.8
175.11153	7.3
175.14720	3.4
176.35873	0.7
178.02660	3.8
178.07797	0.9
193.04964	13.8
193.08638	2.1
193.10452	1.1
193.12236	12.7
193.15782	2.9
194.08115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03930	7.9
55.01857	9.8
55.05505	16.6
56.96332	2.0
56.96560	19.3
57.03418	7.2
57.07057	6.0
65.03931	5.3
67.04936	2.4
67.05498	55.1
69.03436	11.4
69.07063	12.9
70.28747	8.4
71.04967	5.8
71.95234	3.2
77.03906	2.0
77.79008	1.8
79.05485	51.1
81.03412	35.6
81.07050	46.9
83.04980	13.3
83.08597	5.1
85.06538	4.7
88.85429	1.9
91.05473	85.9
92.05799	2.8
93.06483	2.4
93.07038	34.5
95.04954	29.7
95.08595	32.9
97.02894	6.0
97.06513	20.6
100.07574	2.2
100.59650	1.8
103.05471	11.2
105.03330	2.6
105.07024	100.0
107.04961	12.2
107.08591	17.2
109.02879	3.8
109.06515	21.4
109.10121	10.5
110.85133	2.1
111.04431	2.1
111.08089	4.0
113.05983	5.7
114.77100	1.8
115.05460	10.5
117.07018	7.4
118.04164	7.4
119.04931	6.6
119.08570	50.6
121.02822	2.1
121.06509	3.3
121.10128	13.1
122.03635	7.3
123.04401	5.0
123.08054	14.1
123.11668	4.7
125.05973	2.8
129.07010	21.9
131.08537	16.9
132.05641	2.4
133.02844	30.5
133.06464	41.8
133.10118	70.0
134.03581	2.2
135.08011	6.1
135.11697	10.1
137.05997	19.3
137.09587	8.5
142.07756	5.7
143.06050	3.3
145.10101	2.7
146.97351	2.4
146.99620	2.1
147.04402	4.8
147.08043	9.0
147.11667	63.2
149.02391	10.5
149.05896	5.0
149.09624	18.6
149.13223	3.9
150.03107	5.8
151.07527	56.2
151.11147	3.5
151.14813	2.2
152.07974	2.0
157.10114	42.2
161.05963	27.7
162.05421	5.1
165.05489	7.8
165.06993	3.6
165.09090	4.1
165.12752	8.6
171.03275	4.0
175.07526	8.3
175.11171	55.1
175.14766	4.9
178.02606	23.7
178.07730	13.5
189.04376	11.9
193.04950	76.7
193.06805	4.2
193.08586	19.4
193.10185	12.7
193.12189	48.9
193.15883	15.7
193.17664	3.6
194.05205	3.6
194.15430	2.5
207.05403	6.2
212.05972	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02377	0.6
53.03938	0.4
57.62571	0.3
63.39006	0.4
66.04711	0.7
66.71564	0.3
67.05480	0.5
70.71249	1.2
77.03932	0.7
79.05524	0.5
81.03468	0.4
89.03934	1.0
91.05476	1.0
94.04179	1.5
95.04981	0.7
95.68301	0.4
103.05436	0.4
105.03387	2.3
105.07027	1.2
107.08611	0.7
109.06491	0.5
109.10170	0.5
117.03368	0.9
119.08592	0.4
122.03638	8.5
129.61746	0.3
133.02844	59.3
133.10144	0.4
133.82129	0.4
134.03305	0.4
135.11684	0.9
137.05969	15.7
138.06306	0.5
149.05968	3.8
150.03123	5.8
157.89499	0.3
161.02333	0.8
161.05997	0.8
165.05464	4.9
178.02603	34.2
178.41830	0.4
179.02980	0.3
193.04951	100.0
194.05336	1.8
213.11018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02363	0.9
53.03946	5.7
55.01876	5.9
55.05508	13.4
56.96552	3.8
57.03431	4.1
57.07064	1.5
58.47166	0.7
60.76465	0.7
65.03928	3.2
67.05504	41.0
69.03419	4.0
69.07078	7.4
71.04974	3.9
71.58001	0.9
71.58427	1.2
73.83439	0.8
77.03912	1.5
79.05489	35.9
81.03416	100.0
81.06583	1.4
81.07056	27.1
82.03763	0.9
83.04979	8.9
83.08617	10.5
85.02880	1.1
85.06545	1.6
91.05477	54.6
91.51540	0.7
93.07037	24.1
94.04166	1.5
95.04967	45.2
95.08608	9.4
95.31551	0.8
97.02877	2.3
97.06519	5.8
97.10178	1.9
99.93694	0.8
103.05459	5.5
105.03389	2.0
105.04501	1.8
105.07028	57.4
107.04952	11.5
107.08595	7.7
109.06509	8.5
109.10154	7.6
111.04425	3.0
111.08080	2.4
113.06009	1.0
115.05456	6.1
117.07027	3.0
118.04182	4.2
119.04897	2.1
119.08571	21.6
121.06508	3.2
121.10139	5.9
122.03634	3.0
123.04406	1.1
123.08023	4.1
123.11706	2.4
125.05914	1.0
128.06252	1.7
129.06999	11.4
131.04886	1.0
131.08572	15.1
132.05692	1.3
133.02847	16.3
133.06493	27.3
133.10127	49.4
134.03647	0.9
134.06906	1.0
134.10483	1.2
135.04393	1.4
135.08009	1.3
135.11685	4.2
137.05972	6.7
137.09587	3.0
142.07782	5.2
143.06046	1.3
145.10089	1.5
147.04402	1.8
147.08047	6.3
147.11691	17.6
149.02248	1.5
149.05989	1.8
149.09622	11.1
149.13199	0.8
150.03119	2.5
151.07527	1.4
151.11168	2.0
157.10124	14.5
161.05986	16.2
165.05475	2.7
165.12825	1.9
175.07605	5.6
175.09758	1.3
175.11183	18.5
175.14793	5.1
178.02586	10.8
178.07729	1.4
193.04950	37.9
193.06761	1.9
193.08615	7.1
193.10320	1.5
193.12227	20.4
193.15851	6.7
194.05241	1.4
210.53621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.4
55.05494	0.4
58.39971	0.3
66.04728	0.3
67.05509	0.6
69.03436	0.6
70.07652	1.3
70.08072	0.5
71.04984	0.3
77.03905	0.7
79.05491	1.1
81.03421	0.7
81.07056	1.0
83.04977	0.3
89.03923	1.6
91.05474	1.8
93.07038	0.8
94.04192	1.6
95.04967	0.9
95.08606	0.5
98.20730	0.4
103.05446	0.7
105.03405	2.8
105.07004	2.5
106.04156	0.4
107.04959	0.5
107.08569	1.9
109.06516	1.3
109.10136	1.1
115.05424	0.7
117.03367	0.5
118.04106	0.3
119.08601	1.2
121.10174	0.4
122.03638	7.6
123.07980	0.4
133.02849	49.4
133.06464	2.2
133.10121	1.0
135.08067	0.4
135.11699	2.2
137.05972	15.6
137.09605	0.5
147.08055	0.4
149.05988	3.6
150.03114	5.1
161.02342	0.5
161.05995	1.3
165.05472	4.8
175.04062	0.3
175.07571	0.4
175.11246	0.6
175.14853	0.4
178.02603	28.9
179.02972	0.6
193.04956	100.0
193.12270	1.1
193.15895	0.9
194.05293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02386	0.6
52.03150	0.3
53.03938	1.8
55.01864	2.1
55.05510	4.2
57.03432	0.8
57.07071	0.6
59.05010	0.3
59.50452	0.3
61.15495	0.2
64.74754	0.3
65.03938	1.5
66.04716	0.9
67.05499	7.5
69.03419	1.6
69.07057	3.1
71.05000	1.9
77.03946	1.0
79.05486	9.3
81.03411	20.2
81.07053	9.4
83.04974	4.0
83.08607	2.8
85.06541	0.9
89.03910	1.1
91.05474	12.0
93.07037	8.1
94.04160	1.6
95.04961	11.1
95.08604	5.0
97.02922	0.3
97.06520	2.8
97.10204	0.3
98.20688	0.5
99.04447	0.7
99.08092	1.0
101.06074	0.3
103.05463	2.2
104.06260	0.6
105.03393	2.4
105.04523	0.6
105.07024	25.7
106.04224	0.3
107.04948	3.3
107.07867	0.5
107.08585	7.0
109.02888	0.3
109.06510	5.5
109.10151	3.4
111.04415	0.6
111.08097	1.0
115.05470	2.2
117.03381	0.9
117.06998	1.8
118.04153	1.5
119.04945	0.4
119.08571	12.9
121.02882	0.7
121.06492	2.1
121.10144	2.6
122.03643	8.9
122.07262	0.4
123.04430	0.5
123.08057	3.2
123.11692	0.9
125.06007	0.4
127.07536	0.6
129.06987	2.0
131.04961	0.5
131.08575	2.7
133.02844	55.0
133.06477	7.3
133.10123	14.4
134.03178	0.8
135.04424	0.8
135.07182	0.3
135.08046	7.1
135.11687	2.7
137.05966	15.7
137.09607	1.4
142.07811	1.3
145.06503	0.4
145.10104	0.8
147.04372	0.5
147.08023	1.7
147.11676	17.3
149.02328	1.2
149.05977	3.6
149.09615	2.1
149.13251	0.9
150.01888	0.3
150.03114	6.6
150.06734	0.8
151.10078	0.3
151.11160	1.5
157.10117	2.2
160.08817	0.5
161.02345	0.9
161.05968	3.7
165.05469	4.7
165.09108	1.0
165.12740	3.6
175.07637	0.6
175.09612	0.3
175.11174	6.1
175.14827	1.9
178.02599	31.0
179.02893	0.9
193.04953	100.0
193.12215	6.8
193.15878	3.7
193.17642	0.4
194.05249	2.2
196.70493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.60406	1.4
53.03937	3.0
55.01872	7.3
55.05510	18.0
56.96566	18.5
57.03429	6.2
57.07068	3.7
57.60040	1.7
59.04994	2.1
63.33827	1.6
65.03928	3.0
67.05501	33.7
69.03434	10.4
69.07066	17.0
70.56389	1.4
70.77859	4.2
71.04995	19.6
79.05498	29.0
81.03407	4.1
81.07055	29.5
83.04530	1.8
83.04960	8.9
83.08616	10.1
85.06565	8.2
86.10564	1.3
91.05472	38.1
93.07047	29.5
95.04967	23.9
95.08604	22.8
97.06535	11.4
97.10098	1.9
102.04707	1.8
103.02306	1.4
103.05470	13.2
105.07027	49.6
107.04931	11.3
107.08593	66.7
109.06514	23.6
109.10155	81.7
111.08079	2.7
115.05462	8.5
116.06229	2.9
117.07018	12.5
118.04169	5.2
119.04948	4.3
119.06130	1.8
119.08571	21.1
120.05724	1.6
121.06493	17.2
121.10141	38.3
123.08084	16.3
123.11697	4.1
129.06984	6.0
130.07787	5.5
131.04913	8.0
131.08560	58.4
133.02863	3.0
133.06500	7.6
133.09128	2.1
133.10127	31.5
135.04417	43.8
135.08052	82.7
135.11676	6.8
135.31229	1.5
136.08812	2.8
141.21204	1.6
143.00186	1.7
143.08481	7.8
144.09296	3.4
145.06474	4.9
145.10120	26.1
146.99608	1.6
147.04344	2.5
147.08060	6.2
147.11702	17.8
148.05168	6.8
148.08807	4.7
149.05972	5.9
149.09607	19.6
149.13283	12.5
150.10388	5.5
158.10918	14.7
159.04422	2.2
161.01198	1.9
161.05913	1.6
161.09641	5.4
163.03870	2.0
163.07547	10.8
163.11177	6.1
163.14833	2.9
163.30650	1.7
173.05989	6.0
173.09592	5.0
173.13261	53.1
176.04674	3.6
176.08276	1.8
176.11909	3.7
185.01169	3.1
191.03400	3.8
191.07019	13.9
191.08804	2.3
191.10683	28.2
191.14305	100.0
191.17990	5.1
192.14708	2.8
212.97453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01868	3.1
55.05507	10.4
57.03433	1.6
57.07064	3.6
65.03918	2.6
67.05501	18.5
69.03428	31.6
69.07065	15.7
69.56312	10.2
71.04999	8.0
79.05492	47.0
81.07052	42.5
83.04984	14.6
83.08609	3.6
85.06533	3.6
85.73350	1.5
91.05475	27.4
93.07036	29.1
93.07560	2.8
95.04967	17.4
95.08602	18.1
96.57047	1.4
97.06525	7.3
103.05434	3.9
105.07024	30.9
107.04953	21.4
107.08588	76.1
109.06519	19.5
109.10149	28.6
111.08080	3.3
115.05461	2.1
116.06195	1.5
117.06967	7.2
119.08579	17.0
121.06508	19.9
121.10140	36.6
122.07285	2.1
123.08070	11.8
129.07018	2.7
130.07774	3.5
131.08578	29.2
133.06496	3.4
133.10126	44.3
135.08057	33.0
135.11685	10.1
136.08838	1.6
137.09604	11.5
143.08556	4.8
144.09349	2.3
145.10112	12.9
147.08014	5.4
147.11671	14.6
147.62573	1.5
148.08809	6.8
149.09636	16.2
149.13261	14.9
158.10883	10.7
161.09680	2.9
163.07574	2.4
163.11227	2.6
163.14825	4.8
173.13260	34.7
176.11980	3.1
191.07053	3.7
191.10603	4.7
191.14304	100.0
192.14716	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	7.6
55.01868	4.4
55.05511	13.7
57.07053	4.7
57.83475	1.6
57.88094	1.8
65.03925	2.9
67.05505	17.9
69.03430	42.3
69.07068	15.3
70.93629	4.3
77.03936	3.3
79.05492	83.2
81.03424	2.7
81.07055	75.6
83.04984	21.4
83.08613	3.6
85.06535	4.4
91.05478	39.6
93.07040	39.3
94.10073	1.6
95.04979	15.4
95.08617	17.7
97.06526	4.3
103.05476	18.4
105.03415	1.7
105.04512	3.2
105.07027	40.9
107.04955	45.5
107.08597	100.0
109.06523	14.3
109.10149	14.9
110.07284	2.8
111.08046	2.9
115.05451	3.9
116.06217	2.2
117.07008	7.3
118.04149	3.7
119.04983	2.2
119.06064	2.6
119.08600	18.1
121.06507	17.0
121.10140	34.5
122.07269	2.7
123.08085	8.4
129.06981	7.5
130.07719	2.0
131.04932	7.7
131.08560	29.7
133.02844	2.5
133.06451	3.7
133.10124	62.4
135.08057	24.6
135.11726	12.1
136.08769	2.0
137.09613	16.3
143.08545	10.1
144.09334	4.0
145.06523	2.7
145.10126	19.8
147.08037	3.3
147.11676	14.2
148.05203	8.5
149.06064	2.3
149.09592	14.1
149.13260	16.5
158.10921	11.6
161.09622	4.0
163.07523	10.4
163.11171	2.7
163.14836	4.7
173.06062	2.8
173.09659	2.0
173.13264	31.5
176.04713	2.9
176.11996	2.8
191.03270	2.3
191.07031	11.0
191.10709	8.5
191.14311	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.5
53.03932	2.8
55.01858	3.7
55.05511	10.9
57.03430	2.1
57.07056	2.8
59.04997	1.6
65.03928	2.5
66.04707	2.1
67.05502	12.2
68.99774	2.0
69.03429	14.5
69.06726	1.1
69.07066	16.1
69.25404	10.7
69.25804	2.1
71.04982	5.2
77.03887	1.4
79.05490	24.0
81.03401	1.1
81.07053	19.4
83.04981	11.6
83.08611	4.8
85.06527	4.2
85.82434	0.9
90.04684	3.2
91.05476	34.1
91.14376	1.1
92.06271	1.6
93.06474	1.9
93.07040	27.2
95.04963	14.7
95.08601	21.9
97.06530	8.6
99.89969	1.0
102.04680	5.4
103.05462	83.3
104.05795	2.2
105.03397	9.3
105.04536	1.3
105.07028	45.0
107.04955	14.0
107.08590	55.5
108.05738	2.8
109.06519	12.8
109.10160	12.6
111.08067	4.2
115.05466	9.2
116.06215	2.0
117.03379	1.6
117.07005	13.5
118.04154	20.0
119.04964	11.4
119.08585	23.2
120.05708	3.2
121.06512	22.0
121.10139	39.6
123.04435	3.0
123.07213	1.1
123.08080	12.0
123.11686	4.0
128.06218	0.9
129.06984	4.1
130.04120	9.2
130.07774	2.8
131.04927	45.0
131.08559	39.6
132.05675	4.4
133.02841	14.6
133.06488	7.6
133.10127	42.2
134.07274	1.0
135.04449	1.6
135.08049	33.0
135.11699	7.8
136.05197	6.6
137.05951	3.6
137.09598	1.4
143.08578	7.7
144.09343	3.6
145.06488	3.6
145.10115	27.5
146.03665	5.0
147.04369	3.9
147.08037	3.1
147.11690	16.9
148.05186	43.8
148.08815	2.9
149.05992	7.5
149.09612	23.0
149.13268	16.0
158.07271	1.9
158.10924	11.9
159.04453	1.7
161.05962	1.7
161.09631	3.6
161.13246	1.4
162.06706	1.7
163.07538	57.4
163.11174	6.6
163.14780	8.9
163.98074	1.0
164.07750	1.3
171.11772	1.3
173.05984	6.0
173.09625	6.6
173.11740	2.1
173.13254	44.1
176.04684	9.7
176.11986	2.6
191.03310	1.3
191.07030	38.4
191.08827	2.0
191.10678	23.9
191.14296	100.0
192.07495	2.0
192.14624	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06424	0.9
53.03934	4.6
55.01878	1.2
55.05507	10.9
57.03427	4.7
57.07065	4.0
65.03936	1.4
67.05490	11.1
69.03429	45.0
69.07062	11.3
69.99270	6.5
71.04979	1.7
79.05488	35.7
79.48262	1.1
81.03382	1.0
81.06581	1.8
81.07054	29.2
83.04966	11.0
83.08614	3.3
85.06554	2.1
91.05474	20.9
93.07043	21.7
95.04996	5.4
95.08594	10.3
96.13265	1.0
97.06522	2.5
98.20756	2.3
103.05447	3.3
105.07027	28.4
107.04946	16.1
107.08592	57.1
109.06540	6.5
109.10152	14.8
111.08086	2.5
115.05436	3.2
117.07006	4.8
118.07771	1.4
119.08585	18.9
121.06507	8.4
121.10138	39.7
122.07273	2.3
123.08070	6.2
128.06076	1.0
129.06979	3.0
130.07788	1.0
131.08566	24.5
133.10127	100.0
134.10445	1.5
135.04407	2.1
135.08035	13.5
135.11668	7.9
137.09616	12.7
142.07727	1.0
143.08545	9.8
144.09306	3.8
145.10133	17.7
147.08022	4.0
147.11687	8.0
148.04823	1.6
149.09618	9.8
149.13258	20.4
158.10895	17.9
161.09676	2.9
163.11163	1.8
163.14848	6.2
171.11671	1.1
173.05940	2.4
173.13257	48.7
191.06888	2.5
191.14297	60.2
212.64203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
54.80175	1.6
55.01857	2.6
55.05511	14.3
57.03419	4.0
57.07074	4.7
59.04989	2.4
65.03932	2.2
67.05503	21.8
69.03084	2.2
69.03427	38.1
69.07064	13.7
69.56120	13.0
71.04981	6.7
77.03899	1.4
79.05490	47.9
81.03400	4.1
81.06580	2.7
81.07053	38.3
83.04992	14.1
83.08625	7.9
85.06533	3.8
91.05479	31.4
93.07040	33.4
95.04969	7.7
95.08593	17.2
97.06525	5.1
100.81034	1.4
103.05464	10.5
105.03448	1.6
105.04494	1.6
105.07033	39.0
107.04951	27.0
107.08591	83.1
109.06516	12.7
109.10147	19.5
111.08109	3.5
115.05460	3.5
115.12987	1.5
117.07024	11.3
118.04125	2.4
119.08594	19.6
119.89179	1.6
121.06499	17.0
121.10136	49.0
122.07298	3.5
123.08047	11.3
129.06970	5.5
130.07785	3.2
131.04912	3.6
131.07594	2.3
131.08565	37.9
133.06506	2.1
133.10126	100.0
135.04399	6.6
135.07115	2.1
135.08054	24.3
135.11684	11.6
136.08769	2.1
137.09613	17.6
143.08568	9.7
144.09329	4.3
145.10124	22.8
147.08051	3.2
147.11681	15.5
148.05176	4.2
148.08841	2.0
149.09613	10.7
149.13254	22.0
158.10919	15.6
160.30948	1.7
161.09601	2.2
163.07536	5.8
163.11153	4.3
163.14850	7.7
173.09619	3.8
173.13255	45.7
191.03409	2.6
191.06987	6.4
191.10707	10.8
191.14304	85.0
192.14667	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.96917	1.0
53.03934	3.2
53.82798	1.2
55.01862	1.8
55.05506	8.4
57.03427	1.6
57.07067	1.9
65.03951	1.5
67.05505	9.9
68.99781	1.8
69.03428	30.6
69.07061	11.5
69.41779	9.0
69.42175	2.3
79.05489	22.8
81.03409	1.3
81.07051	22.0
83.04990	7.4
83.08607	3.7
85.06533	2.6
91.05479	23.9
93.07039	14.8
95.04939	6.3
95.08608	10.8
97.06531	1.9
101.67583	0.9
103.05465	4.0
104.65756	1.0
105.07024	28.5
107.04953	14.6
107.08585	44.7
107.64058	1.0
109.06505	7.6
109.10151	11.0
115.05437	5.6
115.61494	1.0
116.06234	1.8
117.07011	10.3
117.07770	1.5
118.07780	1.6
119.08577	16.6
121.06525	7.9
121.10131	29.9
122.07264	3.4
123.08038	4.3
128.06175	1.6
129.06999	3.6
130.07732	1.8
131.04910	1.7
131.08563	19.7
132.05711	1.6
133.06488	1.6
133.10124	100.0
133.37521	1.1
134.10475	1.3
135.04507	1.5
135.08066	13.4
135.11690	8.6
136.08789	1.1
137.09604	19.7
141.23593	0.9
143.08546	8.0
144.09311	2.1
145.06471	4.1
145.10117	16.1
147.08051	15.3
147.11684	9.4
149.06027	1.2
149.09613	7.7
149.13234	15.7
158.10893	11.3
161.09631	1.8
163.07532	3.1
163.11086	1.6
163.14799	6.0
173.06001	9.3
173.09566	2.8
173.13258	35.6
176.12051	1.6
191.03392	1.4
191.07016	3.2
191.10641	3.8
191.14293	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	2.8
55.01864	1.5
55.05504	6.0
57.03427	1.4
57.07076	4.3
58.50858	0.8
59.04988	1.5
64.83234	1.1
67.05212	0.9
67.05508	8.3
69.03429	16.7
69.07069	14.5
70.73846	1.3
70.74191	1.9
71.04980	3.1
79.05489	13.7
81.03399	0.9
81.07047	14.3
83.04974	7.2
83.08598	3.0
85.06548	5.0
90.84947	0.9
91.05479	19.1
93.07048	12.6
95.04964	4.3
95.08609	13.0
97.06548	5.5
99.08072	1.1
103.05458	3.1
105.07029	29.4
107.04938	3.9
107.08589	35.2
109.06517	8.6
109.10135	7.1
109.13957	0.9
111.08089	6.1
114.80722	0.8
114.97766	0.9
115.05483	2.3
117.07031	7.0
119.04971	1.5
119.08569	19.8
121.06524	6.8
121.10134	23.0
123.08058	6.8
123.11698	2.3
128.06192	1.3
129.06999	4.9
130.07782	2.5
131.04881	1.9
131.08559	27.3
133.06525	1.6
133.10123	33.7
135.08043	21.6
135.08905	0.6
135.11720	4.8
135.12624	1.0
143.08559	7.6
144.09311	2.9
145.06473	2.0
145.10110	15.0
146.05975	2.7
147.08046	2.1
147.11702	8.4
148.05258	1.7
148.08789	1.2
149.09615	26.4
149.13248	11.0
150.10280	1.0
158.10927	10.0
161.09578	4.1
163.07582	1.6
163.11156	1.7
163.14816	2.9
171.11751	1.4
173.09714	1.6
173.13261	37.1
176.04706	2.0
176.12003	1.9
191.03366	0.8
191.07011	8.3
191.10783	4.4
191.14305	100.0
192.14690	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	3.8
55.01855	5.4
55.05310	1.0
55.05511	10.5
57.03411	2.9
57.07077	7.4
59.04988	1.2
60.37354	1.1
65.03922	1.9
65.59908	1.1
67.05238	1.1
67.05499	13.3
69.03427	14.9
69.07065	21.3
69.46228	8.8
71.04977	4.3
71.43869	1.1
75.85942	1.0
77.03873	1.5
79.05491	23.6
81.07056	21.4
83.04961	8.3
83.08594	5.8
85.06516	6.4
91.05473	30.0
93.07038	34.0
95.04966	11.7
95.08600	22.8
97.06524	8.1
97.10172	1.3
99.08088	3.1
102.04653	1.2
103.05465	20.8
105.03349	3.2
105.07026	49.3
107.04942	11.9
107.08592	47.8
109.06496	9.7
109.10145	9.9
111.08058	4.8
115.05437	6.0
115.61492	1.1
116.06203	2.5
117.07022	15.5
118.04172	6.4
118.67509	1.2
119.04967	3.2
119.07825	0.7
119.08571	25.4
121.06506	18.8
121.10132	35.0
123.08080	10.0
123.11719	4.1
129.06979	5.8
130.04126	3.7
130.07765	5.3
131.04924	15.0
131.08559	42.5
133.02820	3.9
133.06487	3.8
133.07626	1.4
133.10124	40.7
135.04402	3.8
135.08044	29.9
135.11667	9.2
137.09575	1.5
143.08554	10.3
144.09256	2.1
145.06468	5.2
145.10109	40.6
147.04430	1.7
147.08020	4.3
147.11665	18.1
148.05171	12.3
148.08719	1.6
149.05960	2.9
149.09616	29.7
149.13261	14.3
151.03918	1.9
155.08499	1.4
157.10074	1.3
157.28777	1.4
158.09920	1.5
158.10930	13.1
160.05180	1.4
161.09584	3.7
163.03897	1.2
163.07536	15.6
163.11153	7.1
163.14838	5.7
173.05931	3.6
173.09612	5.0
173.13263	38.1
176.04695	3.4
176.12006	2.7
191.03362	1.8
191.07021	15.8
191.10680	14.4
191.14302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05504	7.8
57.07078	2.7
59.05001	1.5
67.05495	16.9
69.03428	13.1
69.07062	13.1
70.92986	2.9
70.93311	2.4
71.04982	7.0
79.05486	13.6
80.42581	1.5
81.07053	17.1
83.04990	7.6
83.08619	7.6
85.06507	3.0
91.05470	20.1
93.07035	19.3
95.04974	14.5
95.08136	1.5
95.08607	16.6
97.06519	8.9
103.05488	1.8
105.07024	39.4
107.04942	2.6
107.08588	45.9
109.06504	19.1
109.10148	42.9
109.10701	0.9
111.08064	2.5
115.05420	2.2
117.07026	7.7
119.08576	23.4
121.06503	11.3
121.10139	38.0
123.08057	11.7
123.11674	6.4
124.03523	1.5
129.06969	4.9
131.08560	42.3
133.06500	2.0
133.10129	68.2
135.08049	48.1
135.11673	6.2
143.08574	7.9
144.09311	2.2
145.10135	19.4
147.08049	5.0
147.11671	17.6
148.08849	5.2
149.09615	45.8
149.13249	19.8
150.10414	2.2
158.10910	17.3
161.09561	5.0
162.10394	2.1
163.11084	1.9
163.14787	8.0
166.53284	1.5
171.11676	1.9
173.13249	58.4
176.11932	2.6
191.06978	3.4
191.14294	100.0
192.99721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63707	1.7
53.03938	2.7
55.01858	1.7
55.05504	9.8
57.07061	3.2
57.39118	1.6
59.04986	1.7
64.09882	1.5
65.03918	2.7
67.05509	14.9
69.03079	2.5
69.03425	28.1
69.06721	2.8
69.07068	26.9
71.02583	1.6
71.02909	2.7
71.04986	4.0
73.62679	1.6
79.05489	18.3
80.37435	1.7
81.07056	19.5
83.04984	10.0
83.08592	5.8
85.06522	4.7
91.05476	36.8
93.07039	23.1
95.04978	8.1
95.08594	19.2
97.06528	10.0
98.68012	1.6
103.05491	9.2
105.06307	2.0
105.07022	42.7
107.04924	4.2
107.08591	43.8
109.06512	14.7
109.10148	11.7
111.08057	3.9
115.05414	3.0
116.06239	2.8
117.07007	9.6
118.04162	2.2
118.06516	1.9
119.07810	2.0
119.08591	27.0
121.06480	9.8
121.10141	32.0
123.08072	10.2
123.11687	3.0
129.07034	8.6
130.07802	3.1
131.04901	5.2
131.08560	48.2
133.10126	43.2
135.08049	39.9
135.09009	1.1
135.11699	8.7
143.08540	17.5
144.09319	4.6
145.10123	20.4
147.08054	3.0
147.11674	13.7
148.05200	2.8
149.05925	4.0
149.09602	16.6
149.13258	15.2
150.10341	2.4
158.10899	19.9
161.09587	6.1
163.07462	4.0
163.11180	4.4
163.14822	6.6
171.11642	1.8
173.09595	2.0
173.11761	2.9
173.13255	52.0
176.04665	1.9
176.11960	2.2
186.17398	1.7
191.07013	6.0
191.10667	5.7
191.14296	100.0
192.14603	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01852	2.5
55.05505	8.8
57.03414	1.3
57.07059	3.3
59.04993	1.3
65.03935	1.4
67.05502	15.0
67.25865	1.1
69.03081	1.2
69.03426	16.8
69.07066	17.9
70.93877	2.0
70.94275	1.5
71.04985	2.0
79.05489	13.2
81.06583	1.4
81.07053	21.9
83.04977	12.0
83.08610	7.1
85.06524	1.3
91.05473	17.5
93.07039	20.8
95.04968	14.8
95.08607	19.4
97.06519	7.8
102.54995	0.8
103.05460	2.7
105.06306	1.1
105.07023	23.5
107.04951	4.7
107.08590	49.2
109.06510	9.2
109.10142	6.7
111.08085	2.8
115.05444	3.4
116.06238	1.2
117.06998	6.7
119.06075	0.8
119.08570	15.4
121.06496	25.8
121.10136	35.1
122.07325	0.8
123.08059	7.9
123.11742	1.4
126.35196	0.9
128.06169	1.4
129.06985	3.4
130.07770	2.5
131.08566	26.5
133.06526	3.8
133.09103	1.7
133.10121	29.9
135.04424	1.6
135.08051	26.3
135.11682	8.9
137.09590	3.4
139.22240	0.9
143.08566	6.9
144.09299	2.1
145.09033	1.6
145.10118	18.0
147.08066	5.1
147.11688	14.8
148.05099	0.9
148.08810	6.9
149.05931	1.3
149.08430	0.9
149.09624	17.0
149.13257	13.2
158.10918	13.5
161.09628	3.3
162.10349	1.6
163.11165	3.4
163.14772	8.2
173.06013	1.2
173.09607	1.5
173.13264	29.1
174.13608	1.2
176.11978	1.7
191.06999	2.0
191.10722	6.7
191.14297	100.0
192.14601	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.45953	1.5
53.03942	3.3
55.01857	2.9
55.05500	8.6
57.03429	3.2
57.07062	5.3
57.75117	1.4
59.04988	1.7
61.79083	1.5
65.02361	1.5
65.03917	3.1
67.05493	13.1
69.03086	1.5
69.03432	17.0
69.07069	25.3
69.83146	9.4
71.04985	4.5
79.05491	23.1
81.07050	20.9
83.04986	9.9
83.08598	5.3
84.08134	1.5
85.06516	4.4
91.05476	38.0
93.04163	1.4
93.07040	30.7
95.04952	7.1
95.08598	16.7
97.06525	8.1
98.97615	2.1
103.05451	4.3
105.07028	49.5
107.04929	5.7
107.08588	62.6
109.06514	10.4
109.07663	1.9
109.10143	7.3
111.08051	3.5
115.05453	3.9
116.06240	2.7
117.07018	15.3
119.07709	1.9
119.08569	38.6
119.09370	3.1
121.06512	9.4
121.10139	38.8
123.08035	8.0
123.11703	3.3
128.06187	2.5
129.07013	12.6
130.07774	3.7
131.08565	70.3
132.08878	1.9
133.10123	38.1
135.08052	33.4
135.08966	1.2
135.11684	11.3
136.08694	1.8
137.09618	1.9
143.08574	21.5
144.09314	5.1
145.06482	2.5
145.10101	35.6
147.08055	2.0
147.11682	15.6
149.09636	11.8
149.13251	16.7
150.10431	2.2
155.08565	2.9
158.10922	24.0
161.09637	2.4
161.13234	7.2
162.10341	1.7
163.07486	2.6
163.11194	4.6
163.14841	8.0
173.09596	4.2
173.13260	68.5
176.12012	2.7
191.03404	3.2
191.06998	3.6
191.10669	4.4
191.14299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01859	3.4
55.05508	18.5
57.03426	2.8
57.07065	5.3
59.04995	2.1
65.03938	2.4
65.16782	1.4
67.05499	15.2
68.09643	1.6
69.03429	17.5
69.07069	23.4
70.86539	3.9
71.04970	6.5
77.03896	1.2
79.05495	23.9
81.07047	38.3
83.04978	16.9
83.08652	6.4
83.09078	1.3
85.06568	8.2
86.56391	1.4
86.71638	1.2
91.05477	30.6
93.07041	44.2
95.04968	12.8
95.08608	39.9
97.06530	13.8
99.08073	3.3
103.05473	11.9
105.03387	3.0
105.07024	50.4
107.04948	20.5
107.08589	86.3
108.08932	2.3
109.06506	24.7
109.10154	10.0
111.08060	9.5
115.05444	3.8
116.06255	1.5
117.07011	10.0
118.04146	2.0
119.04881	1.6
119.08580	25.9
121.06503	47.9
121.10141	60.8
123.08058	22.5
123.11747	1.8
129.06993	5.8
130.04112	1.4
130.07732	2.5
131.04910	4.3
131.08557	45.3
132.08878	2.0
133.02866	2.3
133.06493	1.7
133.10126	47.6
135.08049	39.4
135.11696	12.6
137.09628	2.8
142.52119	1.5
143.08556	8.5
144.09314	3.5
145.10129	25.7
146.10518	1.6
147.08023	3.2
147.11674	25.4
148.05170	5.7
148.08780	3.4
149.09613	48.0
149.13264	20.3
158.10941	11.6
161.09618	2.2
163.07582	6.3
163.11208	8.2
163.14812	17.0
173.09834	1.7
173.13254	51.0
174.13678	2.3
175.09044	1.4
176.04738	2.0
176.11829	1.9
190.30037	1.3
191.06987	6.7
191.10695	4.4
191.14304	100.0
192.14639	2.5
214.86923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.01857	1.8
55.05507	9.7
57.03432	4.7
57.07072	4.2
59.72264	0.9
60.70973	0.8
65.03943	2.0
67.05495	10.5
69.03429	36.8
69.07072	9.8
79.05487	30.5
81.03384	0.9
81.07050	26.9
83.04987	9.4
83.08603	3.0
85.06519	2.7
91.05479	19.9
91.06050	0.7
93.07044	16.2
95.04954	5.4
95.08611	10.7
97.06493	2.1
98.20724	1.7
101.27476	0.8
103.05465	1.4
105.07026	26.1
107.04942	16.9
107.08588	54.4
109.06537	6.6
109.10149	15.8
111.08059	1.9
112.31498	0.8
115.05447	2.8
117.07028	4.7
119.08586	16.1
121.06517	7.7
121.10143	32.2
122.07263	1.7
123.08076	5.5
129.06995	3.3
130.07869	1.0
131.08557	20.3
131.09521	1.4
133.10126	100.0
134.10426	1.3
135.04434	1.0
135.08064	11.9
135.11691	8.5
137.09602	15.5
143.08554	8.7
144.09293	3.2
145.06471	1.9
145.10117	14.3
147.08028	3.2
147.11670	8.5
149.09634	9.4
149.13245	19.4
158.10899	14.1
161.09601	1.9
163.07536	1.1
163.11108	1.2
163.14851	6.3
173.05968	2.8
173.13255	46.7
176.04333	1.0
191.06775	1.9
191.14297	56.3
192.14696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.02382	0.2
52.11060	0.2
53.03943	1.4
54.62894	0.2
55.01874	0.3
57.07052	0.2
63.23319	0.2
65.03945	0.5
65.70605	0.2
67.05510	0.2
68.88565	0.2
69.07079	0.3
69.31969	2.1
74.82031	0.2
77.03933	0.5
79.05491	10.9
81.03415	0.4
81.07047	0.5
91.05491	2.3
92.72751	0.2
93.07047	0.4
95.04961	3.7
95.08585	0.4
98.20657	0.4
103.05457	0.5
105.04544	0.6
105.07025	0.6
107.04952	5.7
107.08594	0.8
109.10138	0.3
117.03398	0.4
119.08581	0.2
121.06463	0.5
121.10174	0.4
123.04417	1.0
131.08578	0.6
133.06526	0.5
133.10149	0.4
135.04410	100.0
136.04732	2.1
145.10065	0.5
149.04884	0.2
149.05940	1.1
149.09641	0.3
153.05435	0.5
160.65210	0.3
173.05956	0.3
173.09584	0.5
173.13257	0.3
179.06270	0.4
191.10664	20.1
191.14256	1.7
192.11047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	3-Dimethylallyl-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02385	0.6
53.03950	1.5
55.01871	1.5
55.05507	3.5
56.96571	1.8
57.03426	1.1
57.07070	2.0
64.28695	0.5
65.03933	1.7
67.05510	4.1
68.78131	0.5
69.03433	3.9
69.07066	3.3
69.80495	2.6
69.80901	1.1
71.04977	1.2
72.04561	0.5
77.03912	0.9
79.05492	16.5
80.60251	0.4
81.03418	0.8
81.07062	6.6
83.04981	2.6
83.05413	0.4
83.08627	1.1
84.08150	1.1
85.06543	0.7
89.03929	0.6
91.05477	11.0
93.07042	6.2
95.01290	0.5
95.04957	5.9
95.08602	3.4
97.06527	1.7
98.21455	0.6
100.07612	1.4
102.04737	0.6
103.05464	4.6
105.04492	0.6
105.07034	7.7
107.04945	8.9
107.08595	10.8
109.02886	0.7
109.06528	3.0
109.10147	3.3
112.11203	0.5
115.05459	1.1
117.07027	2.7
118.04181	1.7
119.04910	0.8
119.08591	4.1
121.06513	4.7
121.10135	7.5
122.07306	0.5
123.04420	1.5
123.08064	2.2
123.11679	1.6
128.06165	0.7
129.02057	1.4
129.06999	1.7
130.04158	0.7
130.07796	1.0
131.00699	0.5
131.04929	2.5
131.08572	7.1
133.02905	0.6
133.06477	1.3
133.10136	7.6
135.04413	100.0
135.08031	8.6
135.11649	3.5
136.04761	2.2
143.08575	2.2
145.06464	2.2
145.10109	7.0
147.04382	0.8
147.08047	1.4
147.11659	2.8
148.05200	2.0
149.06015	2.9
149.06985	0.5
149.09647	4.0
149.13243	2.2
151.03857	1.1
153.05489	0.6
158.07228	0.7
158.10916	2.2
160.05055	0.8
161.05983	0.6
161.09627	1.4
163.07526	3.1
163.11198	3.1
163.14842	1.1
173.05997	1.2
173.09689	2.7
173.13292	5.5
176.04666	1.6
176.08334	1.0
176.11937	0.7
191.03391	1.4
191.07060	6.3
191.08809	1.4
191.10664	29.0
191.14294	21.1
191.16064	0.9
191.17946	1.0
192.02716	0.5
192.10989	0.6
192.14734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Precocene I
Peak:m/z	Relative Intensity
50.01603	0.1
51.02375	0.2
53.03942	1.2
55.01865	0.5
55.05506	0.5
56.96559	0.3
57.03449	0.1
57.07071	0.4
60.83220	0.1
65.03940	0.6
67.05499	1.2
68.99792	0.2
69.03424	1.0
69.07062	1.0
69.95491	0.6
71.04987	0.3
77.03938	0.5
79.05488	12.0
80.05820	0.2
81.03407	0.5
81.07050	1.5
83.04972	0.5
83.08602	0.3
84.08117	0.2
85.06529	0.1
89.03916	0.5
91.05477	4.4
93.07043	1.8
95.01348	0.1
95.04959	3.6
95.08604	1.0
96.05282	0.1
97.06543	0.2
100.07611	0.4
101.41772	0.1
102.04688	0.2
103.05455	1.0
105.03418	0.2
105.04496	0.5
105.07024	2.3
105.45847	0.1
107.04948	6.9
107.08586	2.8
108.05291	0.2
109.02880	0.2
109.06515	0.6
109.10162	0.8
109.72676	0.1
111.04421	0.3
111.08044	0.2
115.05452	0.3
117.03334	0.3
117.07012	0.9
118.04154	0.4
119.04945	0.4
119.08612	0.8
121.06516	1.0
121.10149	2.0
123.04404	1.0
123.08063	0.3
123.11716	0.2
129.07018	0.3
130.04192	0.2
131.04942	0.6
131.08553	1.7
133.06490	0.6
133.10141	1.3
135.04407	100.0
135.07887	1.5
135.11646	0.8
136.04753	2.0
143.08533	0.3
145.06458	0.4
145.10109	1.5
147.04382	0.2
147.07993	0.3
147.11705	0.6
148.05179	0.5
149.05977	1.9
149.09596	0.9
149.13228	0.6
151.03912	0.2
153.05458	0.8
155.08566	0.2
158.10916	0.5
160.05156	0.2
161.05920	0.2
161.09650	0.3
162.10504	0.1
163.07530	0.9
163.11165	0.7
163.14798	0.2
173.06018	0.4
173.09634	0.9
173.13268	1.6
176.04681	0.4
176.07074	0.3
176.11899	0.1
191.03400	0.4
191.07069	1.6
191.10657	22.3
191.14276	4.9
191.17862	0.3
192.11014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Precocene I
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	0.4
55.05505	0.4
57.07071	0.4
63.84995	0.2
65.03939	0.8
67.05509	0.4
69.03423	0.5
69.07063	0.4
70.98394	0.6
75.94021	0.2
76.59923	0.2
77.03930	0.5
79.05490	11.0
81.03398	0.3
81.07051	0.9
83.04961	0.2
83.08624	0.2
89.03926	0.6
91.05485	3.4
93.07043	0.9
93.60411	0.2
95.04968	3.5
95.08616	0.4
103.05482	0.6
105.04507	0.4
105.07037	1.4
107.04954	6.5
107.08612	1.5
109.06503	0.4
109.10140	0.8
115.05469	0.3
117.06998	0.3
119.08609	0.4
121.06490	0.8
121.10148	1.0
123.04413	0.9
124.30130	0.3
131.04967	0.5
131.08530	1.5
133.06485	0.4
133.10114	0.9
135.04408	100.0
135.07883	1.4
135.11653	0.5
136.04727	1.7
143.08600	0.2
145.10121	0.9
147.11670	0.3
148.05214	0.4
148.83409	0.2
149.06003	1.2
149.06949	0.2
149.09621	0.5
149.13283	0.5
151.03891	0.3
153.05487	0.7
158.10854	0.3
163.07512	0.5
163.11107	0.3
173.09526	0.5
173.13245	1.0
191.06990	0.7
191.08719	0.7
191.10660	21.4
191.14281	2.8
191.17905	0.3
192.10985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	3-Dimethylallyl-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.69987	0.4
53.03944	2.0
55.01870	1.2
55.05519	2.6
56.96568	5.3
57.07066	1.2
63.32000	0.4
65.03946	1.0
67.05508	3.7
69.03432	3.2
69.07066	3.8
69.33692	5.4
74.19309	0.5
77.03911	1.0
79.05496	16.1
81.03424	0.6
81.07064	5.1
83.04985	3.2
83.08613	1.2
84.08148	1.0
89.03891	0.6
91.05480	8.6
92.33435	0.5
93.07047	5.2
95.04971	5.5
95.08594	2.6
97.06510	1.2
98.21463	0.8
100.07619	0.9
103.05485	2.3
105.03388	0.6
105.07035	5.3
107.04958	8.0
107.08604	7.4
109.06521	2.3
109.10133	2.3
112.11284	0.5
115.05419	0.9
116.48452	0.4
117.07010	2.3
118.04178	0.9
119.04945	1.4
119.08572	2.8
121.06551	3.2
121.10152	4.6
123.04432	1.1
123.08096	1.5
123.11714	2.0
127.46827	0.5
129.06984	1.0
130.07791	0.7
131.04906	1.4
131.08585	6.6
133.06456	0.6
133.10135	5.9
135.04419	100.0
135.08032	6.0
135.11725	2.1
136.04741	1.7
137.09634	0.9
139.72588	0.6
143.08562	1.3
145.06458	1.4
145.10144	3.9
147.04350	0.5
147.08037	0.7
147.11642	2.3
147.66461	0.6
148.05252	0.6
149.06009	3.0
149.09637	2.1
149.13235	2.0
153.05467	1.0
158.10936	1.7
160.05060	0.8
161.09630	1.2
163.03883	0.5
163.07593	0.9
163.11189	1.5
173.05942	0.6
173.09645	1.8
173.13269	5.1
176.04697	0.9
176.07076	0.9
176.08456	0.8
179.00693	0.5
191.03383	1.4
191.07063	2.8
191.08907	1.1
191.10678	23.9
191.14302	18.6
191.17979	0.7
192.06624	0.7
192.10840	0.5
194.81186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
55.05497	5.7
67.05495	6.3
68.99767	7.8
69.03418	9.8
69.07052	5.6
69.40010	21.1
79.05478	9.6
81.07052	5.4
85.02884	3.2
91.05476	26.0
93.07009	9.5
95.04961	5.0
95.08572	4.8
98.20705	4.7
103.05465	2.8
105.07019	39.1
107.04912	3.6
107.08574	9.2
115.05443	7.3
117.07006	8.5
119.08572	49.1
121.10117	6.4
128.06201	20.3
128.15564	2.0
129.07022	11.9
130.07759	9.4
131.04900	3.3
131.08578	14.4
133.06473	7.4
133.10106	21.6
141.06993	12.1
142.07745	3.0
143.08540	31.4
144.09312	3.4
145.06459	9.2
145.10126	22.7
146.07242	7.0
146.10863	4.6
147.08020	17.1
147.11682	26.2
155.08502	3.7
156.09343	76.1
159.08044	10.3
159.11684	15.0
160.05093	11.8
160.08867	3.9
161.05963	17.1
161.09581	13.8
161.13269	11.2
171.08051	35.6
171.11662	72.1
172.12061	3.1
173.05978	3.1
174.06750	17.7
174.10381	16.3
189.09103	29.7
189.12721	100.0
189.16261	11.4
190.13156	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61743	0.9
53.03936	1.5
55.05494	4.3
59.72430	0.9
67.05498	5.2
69.03139	0.9
69.03432	11.0
69.07053	3.2
69.76577	4.5
73.13761	1.0
75.97165	1.1
79.05465	5.3
81.07059	6.2
83.04962	3.0
91.04901	1.1
91.05473	17.2
93.07064	6.0
95.04945	4.6
98.21444	1.2
103.05432	1.7
105.07024	32.8
107.04927	2.1
107.08592	7.0
109.06481	3.4
111.87395	1.1
115.05458	2.1
116.06181	1.4
117.07017	5.7
119.04959	1.1
119.08577	57.5
120.08864	1.5
121.06480	4.0
121.10130	2.5
128.06213	3.1
129.07013	3.6
130.07755	1.3
131.08543	12.1
133.06500	7.3
133.10127	21.0
134.10446	1.2
135.08063	6.9
141.06982	4.8
142.07755	2.3
143.08565	5.6
145.06503	6.1
145.10123	5.3
146.07280	3.2
146.10915	1.4
147.08040	22.6
147.10538	1.2
147.11684	19.9
155.08557	1.6
156.09343	23.8
159.08041	30.4
159.11703	2.9
160.08868	8.7
161.09612	12.3
161.13251	24.8
171.11690	20.6
172.12006	1.6
173.09564	1.7
174.06883	1.3
174.10390	46.2
175.10767	2.4
179.59695	1.2
189.09251	2.3
189.12729	100.0
190.13080	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58570	0.8
53.03930	1.7
55.01855	1.5
55.05508	6.0
57.03417	0.7
57.07064	1.1
64.50555	0.7
65.03936	1.1
67.05509	5.0
69.03432	4.7
69.07061	4.5
69.32126	0.8
70.11997	1.9
70.12399	2.7
79.05491	10.1
80.45135	0.8
81.03409	1.4
81.07054	7.2
83.04975	4.0
85.02923	1.9
88.94309	0.7
91.05470	22.4
93.07043	7.5
95.02248	0.9
95.04973	5.2
95.08592	6.0
97.06530	0.8
98.28724	0.8
103.05428	2.3
105.03349	1.6
105.07024	37.9
107.04950	4.1
107.08595	7.4
109.06494	2.8
109.10146	1.0
115.05436	3.9
116.06193	1.1
117.07005	7.6
119.04923	3.3
119.08572	54.0
120.08907	1.3
121.06480	3.1
121.10128	5.7
123.08092	0.9
127.15157	0.8
128.06215	8.0
129.06995	8.1
130.07768	1.9
131.04898	1.7
131.08562	17.7
132.05681	1.1
133.06491	9.3
133.10121	46.2
135.08047	8.4
141.06963	11.2
142.07782	2.4
143.08542	13.8
144.09312	2.5
145.06471	8.9
145.10130	10.9
146.07257	3.8
146.10852	2.6
147.04402	1.4
147.08035	22.9
147.10506	1.5
147.11681	31.6
149.09584	2.7
153.06979	1.1
155.08505	3.0
156.09338	55.0
157.06412	1.4
157.09720	1.2
159.08046	36.2
159.11678	12.3
160.05222	4.9
160.08810	9.9
161.05942	8.1
161.09610	12.1
161.13248	21.3
162.13568	1.3
171.08029	2.9
171.11678	41.7
173.09561	4.0
174.06776	3.2
174.10396	78.0
175.10698	2.2
179.83209	0.9
187.11261	1.2
189.05443	2.9
189.09145	10.8
189.12726	100.0
189.16277	7.3
190.13058	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72571	1.8
59.18703	1.8
65.81020	2.4
69.03412	6.3
70.73130	6.8
74.71801	2.4
79.05479	3.8
91.05456	9.7
91.47453	2.1
93.07024	2.9
103.05460	4.4
105.07030	18.2
107.08551	3.2
115.05442	4.3
117.07044	4.3
119.08561	27.8
128.06190	7.5
129.06947	5.7
130.06837	1.9
130.07755	6.7
131.08556	9.8
133.06429	3.0
133.10109	9.1
141.06982	19.4
142.07767	2.1
143.08569	11.9
144.09360	4.1
145.06493	4.7
145.10126	22.9
147.08049	9.9
147.11668	17.3
155.08527	6.9
156.09335	100.0
157.09688	3.7
159.08090	10.5
159.11667	20.5
161.06030	2.8
161.09563	5.1
171.08044	7.9
171.11681	94.3
174.06767	2.9
174.10381	12.4
189.09068	6.4
189.12729	98.6
190.13020	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01875	11.3
55.05507	5.3
56.96547	1.3
57.03434	1.4
65.03941	1.6
67.05511	18.7
68.32759	0.9
69.03415	2.2
69.07069	6.3
69.96030	5.2
71.04987	1.2
79.05497	23.1
81.07069	15.3
83.04993	1.6
83.08620	1.4
85.06493	0.9
85.64520	0.9
91.05486	88.6
92.05826	1.5
93.07053	13.3
95.04969	7.3
95.08614	5.8
97.06523	3.7
98.21559	1.1
102.57710	0.9
103.05457	5.9
105.07039	47.0
107.04962	6.0
107.08595	4.8
109.06513	2.8
109.10110	1.1
115.05474	6.6
116.06264	4.4
117.07026	20.7
118.12740	0.8
119.04955	1.6
119.08585	25.6
121.06483	5.1
121.10123	1.7
123.08082	1.4
128.06226	13.0
129.07016	48.2
130.07747	3.7
131.04950	2.2
131.08583	11.4
133.06482	5.8
133.10136	22.7
135.08003	1.5
141.06982	5.0
142.07773	2.2
143.07497	1.5
143.08571	24.1
144.05695	4.2
145.06461	2.5
145.10133	33.5
146.06123	0.9
146.07265	2.3
147.04388	4.3
147.08058	14.6
147.11691	16.2
148.05188	1.6
156.09348	7.7
157.06552	1.7
158.07245	1.0
159.08035	3.6
159.11678	2.4
161.06001	3.2
161.09657	8.5
161.13269	16.3
169.10199	1.0
171.07974	1.7
171.11703	53.3
172.12103	1.6
173.06035	4.2
174.06789	7.5
174.10428	2.8
189.05376	1.6
189.09134	29.5
189.12747	100.0
189.16252	2.3
190.08707	1.3
190.13091	3.5
207.31676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68669	1.2
53.03939	2.1
55.01878	8.4
55.05502	6.3
56.96553	1.6
58.06596	1.2
65.03952	1.6
67.05171	1.6
67.05507	16.3
69.03427	3.0
69.07058	5.7
70.93313	1.9
70.93652	2.8
79.05495	17.8
81.03431	1.6
81.07056	15.2
83.04961	2.1
87.05427	1.5
91.05482	70.3
92.05790	2.2
93.07046	12.0
95.04443	1.5
95.04946	7.1
95.08607	9.7
97.06563	1.5
103.05468	3.7
104.06216	1.4
105.07034	37.8
107.04935	9.3
107.08597	7.1
108.03629	1.4
109.06538	2.6
115.05440	4.1
117.07022	13.9
119.04914	3.9
119.08582	33.0
120.05704	5.1
121.02836	2.0
121.06496	6.7
121.10130	2.5
123.08043	1.9
128.06235	7.7
129.07001	30.2
130.07733	2.3
131.08586	8.7
133.06485	8.7
133.10129	15.1
135.08011	1.8
141.06966	2.5
143.08583	18.2
145.06477	2.6
145.10123	21.8
147.08041	23.4
147.11688	15.5
155.38205	1.3
156.09363	10.5
159.08118	2.4
159.11734	3.7
160.08966	2.5
161.05994	1.6
161.09599	6.5
161.13269	11.5
171.08017	1.4
171.11697	37.5
174.06851	1.6
174.10439	3.7
189.05357	2.7
189.09187	8.3
189.12743	100.0
189.16370	5.9
190.04964	1.9
190.08586	2.3
190.13130	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.63741	1.5
53.03911	1.6
55.01871	7.4
55.05490	3.7
65.03917	1.8
67.05491	2.4
68.46618	1.5
68.86446	1.2
68.99777	4.5
69.03420	4.1
69.07058	3.3
69.62082	10.5
73.11714	1.3
79.05489	12.9
81.07062	8.4
81.46258	1.5
85.02897	2.2
91.05479	52.9
93.07030	6.8
95.04966	3.8
95.08611	7.8
98.11065	1.5
103.05464	5.9
105.03405	2.0
105.07025	41.7
107.04959	4.4
107.08554	6.4
109.02847	1.7
115.05437	8.2
117.07018	8.8
119.04930	9.9
119.08575	36.3
120.80030	1.4
121.06479	2.3
121.10164	2.9
128.06223	31.5
128.91684	1.3
129.07033	9.6
130.07733	2.4
131.04922	3.6
131.08530	10.5
132.05684	3.9
133.06490	6.9
133.10132	22.9
135.04399	9.4
141.06979	3.9
143.07491	2.2
143.08557	28.9
145.06519	7.1
145.10095	6.6
146.06158	1.6
146.07254	8.7
147.03227	2.2
147.04413	67.8
147.08040	100.0
147.11688	13.0
148.04755	2.0
155.06058	2.3
156.09366	8.1
159.08029	5.4
159.11688	2.0
160.05211	3.2
161.05931	8.7
161.09608	23.9
161.13240	4.3
171.08037	53.6
171.11714	7.3
172.08397	2.1
173.05957	4.0
174.06763	22.3
174.10400	4.6
176.98146	1.5
189.01793	1.6
189.05435	7.4
189.09106	97.9
189.12686	19.7
189.16385	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03943	2.4
55.01874	5.7
55.05502	1.9
57.03421	0.7
58.32898	0.5
65.03933	2.3
67.05496	1.3
69.03433	1.2
69.07083	0.6
71.16847	0.9
71.17220	1.3
77.03912	1.0
79.05496	8.8
81.03434	1.2
81.07062	2.5
91.05476	40.7
93.07053	3.6
95.01346	0.7
95.04959	2.3
95.08602	0.7
103.05470	4.4
104.06271	0.9
105.03374	1.5
105.07027	22.3
107.04955	4.8
107.08587	2.4
109.02894	2.7
109.06567	0.9
112.48645	0.6
115.05457	3.7
117.07004	6.6
117.09897	0.6
119.04941	9.3
119.08577	20.5
121.06513	1.2
124.40016	0.5
125.09655	0.8
128.06221	24.6
129.07059	2.7
130.07730	0.9
131.04906	2.3
131.08546	3.4
132.05705	4.0
133.06464	2.5
133.10129	8.6
133.48602	0.5
135.04414	10.6
137.05966	0.7
141.07025	1.9
143.08553	17.1
144.05785	0.5
145.06479	5.0
145.10133	1.6
146.07248	4.8
147.04408	73.1
147.08040	100.0
148.04744	0.8
148.08365	1.3
155.06029	1.4
156.09351	2.0
159.04486	1.3
159.08072	1.1
161.05983	1.6
161.09613	16.9
162.00017	0.6
171.08044	27.9
171.11682	2.4
172.08347	0.7
173.05942	1.4
174.06764	9.1
183.82915	0.6
189.09105	71.5
189.12589	4.8
190.09395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03933	2.3
55.01865	4.7
55.05499	2.1
57.03418	2.3
58.73669	0.7
62.61585	0.8
65.03922	2.2
67.05470	1.3
69.03411	2.4
69.07035	0.9
72.47033	0.9
73.18313	0.8
77.03954	0.8
79.05493	7.5
81.03394	2.1
81.07046	4.4
91.05477	44.2
93.07025	4.0
95.04948	2.0
95.08598	3.1
98.87096	0.9
103.05489	4.3
104.06231	1.0
105.03395	1.7
105.07022	28.1
107.04927	3.5
107.08575	2.4
109.02884	3.1
109.06540	1.4
115.05441	4.9
117.07016	5.7
118.07790	1.1
119.04931	11.0
119.08574	25.8
120.08111	1.0
121.06512	2.2
121.10097	0.9
128.06223	24.2
129.06981	3.9
130.07739	1.1
131.04907	2.8
131.08528	5.1
132.05679	4.3
133.02814	0.9
133.06480	3.2
133.10121	13.9
135.04428	11.3
141.06956	1.6
143.08556	19.8
145.06523	5.3
145.10092	1.7
146.07243	3.8
147.04405	77.3
147.08038	100.0
147.11673	3.4
148.04689	1.6
148.08405	1.0
156.09355	2.2
157.06467	1.2
159.08105	0.9
159.11760	1.1
161.05962	2.9
161.09607	17.1
161.13249	2.0
171.08032	33.4
171.11684	3.3
172.08492	0.9
173.06064	1.6
174.06760	10.0
189.09100	72.3
189.12714	7.5
189.16405	5.3
190.09480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03943	2.2
55.01855	3.3
55.05506	2.3
65.03943	1.5
65.40269	1.0
67.05479	1.6
68.84873	0.8
69.03415	0.9
70.21156	4.3
79.05499	5.5
81.03409	1.6
81.07039	2.6
91.05479	53.0
92.05788	1.0
93.07019	2.5
95.04974	2.0
95.08587	2.3
98.21506	1.0
102.92889	0.9
103.05438	5.2
105.03393	2.7
105.07034	17.9
107.04961	5.4
107.08614	2.3
115.05438	10.9
116.06253	9.8
117.07030	6.6
119.04937	5.3
119.08580	11.5
121.06506	2.6
123.04415	2.4
128.06212	15.1
128.28485	0.9
129.07005	16.3
131.04926	6.5
131.08575	12.1
132.05701	1.0
133.02792	1.8
133.06465	5.9
133.10132	8.4
135.04416	3.9
135.86914	0.9
141.07008	8.0
143.04753	1.0
143.08557	9.2
144.05707	11.0
145.06476	5.0
145.10127	2.1
146.07245	4.7
147.04405	35.2
147.08044	44.1
147.11676	3.2
148.05231	5.0
148.06203	1.1
155.06046	1.5
156.09328	2.9
157.06456	4.9
158.07294	1.1
159.04494	1.0
159.08034	6.8
160.05176	1.5
161.05943	5.3
161.09607	14.4
171.08055	13.7
171.11623	2.5
173.06000	10.5
174.06763	20.2
189.09103	100.0
189.12643	7.1
189.16391	2.8
190.09459	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03922	3.8
55.01859	8.1
55.05495	5.9
56.10112	2.0
56.96552	6.9
65.03917	2.5
67.05505	10.3
69.03419	6.1
69.07068	5.0
69.25961	16.1
69.26386	9.4
79.05489	15.1
81.03401	4.9
81.07055	12.9
82.56588	1.8
84.31481	1.9
85.02915	4.2
91.05475	66.5
93.07024	9.1
95.04945	6.2
95.08603	10.7
97.10158	4.2
98.20786	4.2
103.05449	7.5
105.07030	58.5
107.04919	5.5
107.08576	8.5
109.02863	2.2
109.06499	2.8
109.10163	3.9
114.65483	2.0
115.05443	15.0
117.07016	11.3
119.04964	10.5
119.06873	4.7
119.07800	3.3
119.08583	45.2
121.06498	4.7
121.10088	2.8
122.60291	2.2
128.06229	33.6
129.06984	8.8
130.07785	3.2
131.04941	3.4
131.08568	9.1
133.06493	12.1
133.10121	27.9
135.04410	9.5
141.06970	6.8
143.04933	3.1
143.08549	28.0
145.06473	11.7
145.10089	10.9
146.06108	2.2
146.07245	5.6
147.04410	64.0
147.06276	4.7
147.08041	100.0
147.11685	15.3
156.09360	16.7
159.08090	5.1
160.05209	9.8
160.08775	2.5
161.05945	20.5
161.09610	26.2
161.13266	7.2
171.04335	2.9
171.08067	31.7
171.11671	24.2
174.06790	18.3
174.10420	6.6
175.06276	2.4
189.05472	15.7
189.09102	93.4
189.12651	43.7
189.16397	9.7
190.08612	4.1
194.34016	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0392
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
55.01867	58.9
55.05520	3.9
55.79737	1.6
56.96570	9.3
57.03435	54.2
59.04985	6.7
60.08149	5.7
61.02917	4.2
68.99781	4.2
69.03432	3.5
70.06561	2.7
71.01349	31.6
71.04967	5.4
71.37097	3.8
72.08157	21.5
73.02920	22.4
75.04478	3.0
83.01334	14.5
84.08134	22.8
85.02868	5.2
87.04462	49.2
89.02371	8.5
91.05469	2.7
95.01313	11.7
97.02847	2.2
98.97569	3.7
101.02372	100.0
101.87321	1.9
103.03906	6.0
105.07027	4.5
111.00773	10.9
113.02361	9.1
115.03925	71.0
116.98601	2.6
119.01879	2.4
119.08553	2.9
124.25206	1.8
127.00323	2.9
127.03864	2.6
128.07074	2.6
129.01845	23.5
129.07397	6.1
130.08609	3.4
131.03345	4.5
131.08540	2.8
133.06529	3.0
137.02972	1.9
139.00238	6.1
143.03358	5.9
143.08888	2.3
147.02899	2.6
147.11632	4.1
156.09314	3.1
157.01315	67.7
161.05936	2.0
171.02882	2.6
171.11679	5.6
175.02365	10.6
189.03955	3.3
189.05505	2.4
189.09280	3.2
189.12715	6.6
189.15973	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
62.97275	0.2
70.60175	0.7
73.68204	0.2
80.33968	0.2
81.55994	0.2
91.05471	4.8
103.05398	0.3
115.04669	0.5
115.05453	5.4
117.05779	1.7
117.07005	3.9
118.06538	59.4
119.06891	1.3
132.08105	0.6
142.06514	5.3
142.07526	0.5
143.07300	10.2
144.04401	0.9
144.08081	22.7
145.06480	1.1
145.08432	0.6
146.06001	100.0
147.06351	2.3
155.06094	0.6
160.07574	0.9
170.06010	8.4
188.07059	18.1
189.07303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05502	2.9
56.96567	3.1
57.07069	5.0
59.95889	0.6
67.05505	10.6
69.03413	2.3
69.07077	4.4
71.04964	0.8
71.58084	0.8
71.58443	0.8
79.05489	8.8
81.03419	4.4
81.07050	6.0
83.01338	0.8
83.08599	1.5
84.04507	0.9
86.97530	0.6
88.02204	2.9
91.05481	27.4
93.07037	7.2
95.04950	1.6
95.08591	5.5
99.04443	1.1
103.05463	1.0
105.07026	23.0
107.08596	4.5
109.02834	0.7
109.10138	2.4
113.00011	7.9
115.05446	3.7
116.06225	2.3
117.07014	24.7
119.08575	18.5
121.10103	2.7
128.06189	1.3
128.07088	0.9
129.07007	5.9
130.07819	4.6
131.08565	62.6
133.06583	0.7
133.10141	5.7
141.06967	1.0
143.08568	4.9
144.09303	2.0
145.06491	2.3
145.10118	100.0
146.10416	3.3
157.10165	1.6
158.10898	1.8
159.06978	1.3
159.08174	1.0
159.11700	12.8
169.10088	1.4
172.12421	0.8
173.00819	1.5
175.02783	1.0
185.13217	0.9
187.07664	1.3
187.11259	6.0
187.14818	69.3
188.15215	1.9
193.03900	1.4
207.70100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80866	0.3
69.93656	1.4
76.89997	0.3
89.03961	0.3
91.05475	5.0
103.05439	0.7
109.44421	0.3
115.05460	6.1
116.04995	0.3
116.06284	0.5
117.05756	1.6
117.07011	5.4
117.07797	0.2
118.06537	82.9
119.06883	1.8
125.28705	0.3
128.04974	0.4
129.33841	0.3
132.08101	0.6
142.06522	6.9
143.07303	12.7
144.04434	1.0
144.08080	24.8
145.06494	1.1
145.08369	0.5
146.06000	100.0
147.06354	2.6
155.05994	0.9
160.07574	1.1
170.06020	9.8
170.07495	0.5
181.40326	0.3
188.07054	12.4
189.07436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03946	1.4
55.01867	1.1
55.05506	2.3
56.96572	0.8
57.07071	3.9
65.03946	0.8
67.05503	11.4
69.03414	2.0
69.07062	4.9
71.32238	0.5
71.58325	0.7
79.05492	9.4
81.03423	3.6
81.07048	7.1
83.08610	0.6
85.02869	0.8
86.92275	0.5
88.02216	1.4
91.05477	29.7
93.07030	7.7
95.04971	3.3
95.08598	3.3
103.05455	1.5
105.03409	0.8
105.07027	28.9
106.07395	0.6
107.04951	3.7
107.08593	4.4
109.10096	0.5
112.83051	0.5
112.99299	0.9
113.00008	8.7
115.05436	3.4
116.06232	2.4
116.18906	0.5
117.07011	26.5
119.04949	1.0
119.08576	20.1
121.06499	0.9
121.10136	2.9
128.06203	3.0
128.07042	0.6
129.07001	8.5
130.07802	7.1
131.04906	1.3
131.08560	59.6
132.08920	1.9
133.06477	1.0
133.10126	4.2
141.06944	2.8
142.07770	3.0
143.08572	7.5
144.05763	1.0
144.09331	6.2
145.06491	6.4
145.10114	100.0
146.10414	2.9
153.07095	0.7
154.07793	1.9
157.10112	4.6
158.06000	0.8
158.07239	1.7
158.10910	1.6
159.08099	2.6
159.11688	19.2
166.45854	0.6
169.10089	3.9
172.08850	1.3
172.12502	2.5
185.13239	0.7
187.03943	0.7
187.11208	12.7
187.14812	65.6
188.15134	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03942	1.3
55.05513	1.8
57.03357	0.5
57.07075	4.8
65.84770	0.5
67.05503	9.9
67.05836	0.9
69.03436	1.1
69.07069	4.5
70.11952	2.5
79.05487	6.2
81.03421	1.8
81.07050	5.8
83.08604	1.0
84.04507	0.8
88.02204	1.5
91.05475	27.0
92.05811	0.5
93.07033	6.9
95.04946	0.6
95.08598	4.0
103.05457	0.8
105.07024	22.2
107.08594	4.0
113.00055	1.0
115.05439	3.1
116.06227	2.3
117.07012	22.4
119.08581	17.9
121.10141	3.1
128.06229	2.0
129.07004	4.3
130.07797	5.2
131.08562	58.2
132.08878	1.0
133.10120	4.6
143.08542	4.2
144.09335	2.5
145.10117	100.0
146.10477	2.9
152.37837	0.6
157.10132	1.6
158.10901	1.1
159.08075	0.8
159.11687	12.8
172.08829	0.8
172.12474	1.9
175.14983	0.6
185.13307	1.1
186.52168	0.7
187.07559	2.3
187.11304	2.8
187.14809	70.4
188.15176	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0808
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
50.99937	0.6
53.03921	0.7
55.01839	0.9
55.05510	3.5
56.96523	1.6
57.03406	1.1
57.07077	3.7
59.04971	0.9
59.06083	0.8
65.03904	1.7
67.05504	4.2
68.99786	2.7
69.03392	1.8
69.07070	3.7
70.06586	0.6
71.04958	2.0
71.12144	1.3
72.08137	0.9
75.04446	1.3
79.01821	2.2
79.05457	2.6
80.02557	0.7
81.03397	0.8
81.07059	3.9
82.04174	2.1
83.04978	2.8
83.08577	1.7
84.04484	0.5
85.02879	2.4
85.06503	2.3
86.09696	8.6
89.09938	0.6
91.05454	2.6
93.03363	0.9
93.07044	4.6
95.01322	9.9
95.04963	3.0
95.08587	2.9
97.02866	0.8
97.06501	2.7
98.06020	0.6
98.97578	0.9
99.04437	0.7
99.08128	0.6
105.07030	2.0
107.01296	1.2
107.08595	3.3
109.02872	2.2
109.06523	1.0
109.10136	1.8
110.03661	35.7
111.04458	12.1
111.08032	2.1
114.05487	0.9
116.98566	0.9
117.07003	0.6
119.01924	0.8
121.10128	2.8
123.04445	2.7
123.08038	0.8
123.11685	1.0
124.07565	1.1
125.02397	1.5
125.05985	92.6
125.09608	3.1
126.06351	2.2
127.03935	7.9
128.06171	2.9
129.06979	3.9
131.08644	0.6
134.99692	1.4
138.03131	1.0
139.01788	1.1
139.03891	24.1
139.09483	0.8
139.11172	1.7
140.04633	0.7
141.05453	1.1
141.07031	2.0
142.05920	1.7
142.07773	5.4
143.03380	0.6
143.08549	4.5
148.19142	0.6
149.09665	1.1
149.13268	1.7
153.05458	100.0
154.06250	45.1
155.03406	2.5
155.06989	2.3
155.08592	4.6
156.04201	1.7
156.09364	2.3
157.06519	1.5
157.10115	7.7
167.08949	0.6
167.10654	1.7
169.04991	0.7
170.05632	6.6
170.07193	1.2
170.10905	9.1
181.02933	1.7
185.04488	1.1
185.05939	1.2
185.06204	0.9
185.08145	19.7
185.09727	5.0
185.11653	1.2
185.13202	10.4
190.82819	0.6
194.07593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.2
53.13462	1.8
54.65992	1.6
55.05510	10.1
56.05021	3.8
56.96568	12.3
57.07064	7.0
58.82781	1.7
59.04973	2.5
60.04533	8.5
65.03928	3.6
66.00568	1.6
67.05505	12.2
69.03433	19.7
69.07063	23.0
69.99144	7.9
70.06577	5.2
71.01329	3.3
71.04987	22.8
72.08150	21.5
79.05492	30.8
80.05820	2.0
81.03414	18.9
81.07050	100.0
81.18339	1.7
82.07355	2.0
83.04958	8.4
83.08593	4.2
84.04491	7.5
84.08133	15.9
85.02905	9.7
85.06523	2.8
86.09715	10.8
87.04435	2.1
87.05565	5.0
87.08088	2.0
88.02197	7.7
91.05481	24.5
92.05818	4.4
93.07034	17.9
94.07356	7.1
95.04950	6.2
95.08600	6.0
97.02866	3.9
97.06529	7.2
97.10071	1.9
98.97581	28.1
99.04385	3.2
99.08068	5.7
99.97896	3.2
100.07631	2.2
103.05458	4.9
104.03998	2.7
105.07049	13.1
107.08589	21.0
108.08929	3.5
109.02865	5.6
109.06483	4.5
109.10149	21.3
111.08055	3.6
111.11703	4.8
114.09151	3.9
115.05449	5.7
116.06216	2.6
116.98618	20.6
117.07005	9.8
117.98986	2.3
118.06519	7.2
119.08548	5.7
121.10126	3.0
123.08029	2.9
123.11702	15.2
127.03900	7.4
128.06227	2.9
128.07080	3.1
129.06995	8.4
129.09103	7.2
129.10205	2.1
130.07718	2.4
131.04901	6.5
131.08562	18.8
133.10133	5.4
134.99625	15.5
139.11180	3.1
139.99480	1.7
141.06975	7.6
142.08688	2.1
143.08516	7.7
144.05702	11.0
144.09300	4.8
145.06470	4.4
145.10118	35.7
146.05981	5.8
146.99664	2.2
147.03056	2.6
151.09958	1.9
151.11140	8.3
155.03377	4.9
157.10110	4.4
158.07248	3.2
158.99654	4.0
159.04312	2.1
159.06934	4.5
159.08037	14.7
159.11664	15.8
169.10065	2.8
169.12198	3.4
172.05132	3.5
172.08818	7.1
172.12444	3.5
173.00789	6.6
177.00706	9.6
178.01033	2.5
187.03918	3.2
187.06033	3.8
187.07549	20.2
187.11125	14.5
187.14784	14.4
188.06877	4.9
197.66846	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1333
Annotation	Acetyltropine
Peak:m/z	Relative Intensity
50.46883	0.3
52.49906	0.3
53.03943	0.4
55.01866	0.5
55.05507	1.5
56.05032	1.0
56.96559	7.0
57.03426	0.7
58.06602	0.5
59.06116	0.9
60.04520	1.0
60.08154	0.6
60.95851	0.3
61.02929	0.7
65.03946	0.9
67.04239	0.3
67.05503	2.9
68.05029	0.8
69.03423	1.9
69.07072	1.2
70.06590	7.6
70.06956	0.6
71.01345	0.4
71.04985	1.2
71.06264	0.5
71.07351	0.5
71.95284	0.4
72.04537	0.4
72.08150	1.2
73.02917	1.1
74.06063	0.3
79.05487	1.4
80.05003	0.7
81.03421	0.8
81.04554	0.3
81.05804	0.3
81.07057	2.1
82.06575	1.7
83.04970	0.5
83.06087	0.5
84.04500	1.3
84.08144	1.2
84.96043	0.7
85.02886	1.8
85.06531	0.4
86.03569	2.1
86.06093	0.7
86.09698	4.3
87.04451	0.4
91.05457	0.7
92.05002	1.3
93.07035	1.2
94.06567	0.8
95.04972	2.6
95.06079	0.6
95.08629	0.5
96.04502	0.7
96.05270	0.6
96.08122	4.7
97.02901	1.9
97.07655	0.9
98.06049	1.3
98.09715	0.4
98.97578	3.3
98.98460	1.2
101.00883	0.6
103.05457	0.3
104.10745	0.6
105.03383	0.5
107.04961	2.0
107.08572	0.7
109.02886	0.6
109.06507	0.4
109.07642	0.8
110.06033	1.9
110.07144	0.9
110.09664	0.9
110.97525	0.4
111.04447	0.5
111.09202	0.4
112.07610	0.3
113.04549	0.4
113.05960	0.4
114.03002	1.2
114.05528	0.4
116.98621	4.3
119.01913	7.4
120.02010	0.4
120.04454	1.4
120.08119	0.6
121.06506	0.8
122.06059	0.5
122.09683	2.2
123.04414	3.1
123.09181	0.4
123.11703	0.6
124.03950	0.7
124.04852	0.5
124.07665	2.5
124.11223	100.0
124.99976	2.3
125.02409	0.6
125.05895	0.3
125.07123	0.9
125.10769	0.3
125.11541	1.5
126.03120	0.5
126.05505	0.5
127.03902	0.6
128.98578	0.8
131.97331	0.3
133.01598	0.4
133.03563	0.3
133.98889	0.4
134.06003	0.4
134.99655	4.7
135.29453	0.3
137.02950	4.5
137.05965	0.8
137.07056	0.3
138.05475	4.2
138.09126	1.2
138.10110	0.3
138.12770	3.5
139.03906	0.4
139.07584	0.3
139.08672	0.6
140.07132	0.3
141.06725	0.3
142.03520	1.5
142.04947	0.5
142.08699	0.5
146.99651	1.8
148.03925	20.0
148.11201	1.4
149.04414	0.3
149.05968	0.5
152.07169	0.5
153.00700	0.8
153.01823	0.7
155.04672	0.6
156.05136	0.4
156.07657	0.6
157.09778	0.7
158.01218	0.3
158.99689	0.7
160.04549	0.8
161.01215	1.5
161.02885	0.5
161.04680	0.4
164.05115	0.3
165.00616	0.4
166.04996	25.0
166.08617	0.8
166.09898	0.4
166.12263	8.7
166.13600	0.6
167.03386	0.3
167.05359	0.6
167.08237	0.4
169.06374	0.4
174.00571	0.3
177.00755	0.8
179.02370	0.4
179.03995	1.0
183.08134	0.3
184.00475	0.5
184.04561	0.5
184.06017	2.0
184.07475	2.1
184.09908	1.9
184.13319	84.5
185.09219	1.2
185.13710	1.7
197.01169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01109	0.5
55.05488	1.3
56.05008	0.6
56.96552	1.2
57.08918	0.6
67.05503	4.4
69.07070	4.0
70.06571	1.1
70.89250	1.0
71.04964	1.3
79.05463	2.1
81.07053	7.2
82.06573	0.7
85.02914	0.7
86.09672	0.8
91.05464	0.9
93.07034	1.8
93.37997	0.7
94.06530	0.8
95.04932	0.9
95.08572	1.4
96.05267	1.1
96.08105	2.2
97.06525	0.7
97.07640	0.6
98.06058	2.8
98.09665	0.6
98.98512	0.8
107.08595	1.2
109.02842	1.7
110.03651	1.5
110.09676	3.8
116.98649	0.8
119.01921	1.0
119.46922	0.5
120.08041	0.8
122.09663	12.6
123.11711	2.9
124.04730	0.7
125.05988	3.7
125.06811	0.7
131.08565	0.8
134.99675	0.5
136.11205	1.3
138.09087	1.0
138.12769	17.1
141.05482	3.4
148.11192	12.1
153.05466	4.1
154.06223	1.1
166.12265	100.0
167.12602	1.7
169.04956	6.5
170.10875	0.6
184.07343	1.2
184.13322	28.6
185.08044	1.2
185.13589	0.7
186.26447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
56.05032	1.1
56.96560	3.0
57.07058	1.0
58.06601	1.2
60.08162	17.5
67.05516	1.5
69.07056	4.2
69.99381	5.9
71.07371	12.7
77.78183	1.0
79.05478	1.2
81.07066	1.9
86.09703	100.0
87.10022	1.6
98.98454	19.7
100.29134	1.1
101.95020	4.1
104.10735	4.8
105.03398	1.1
106.03732	2.6
119.96070	3.5
124.99999	80.5
128.04959	1.0
129.06982	2.8
137.58868	0.9
137.97095	4.2
138.12709	1.2
138.98883	2.7
141.06926	1.0
142.07713	0.9
143.01004	2.6
143.08531	1.6
155.98138	3.7
156.08920	2.5
157.10068	1.7
160.98552	1.1
166.12257	4.2
170.09596	1.3
177.97368	1.2
184.07343	75.9
184.13400	1.4
185.07721	1.2
185.13252	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.05511	1.2
56.05033	1.2
56.13731	0.5
58.06585	0.7
60.08162	19.8
69.07061	0.9
70.00362	2.4
71.07372	10.7
86.09702	100.0
87.10026	1.6
91.05479	0.6
95.06658	0.5
98.98463	19.1
101.95029	1.1
104.10750	4.8
116.99514	0.6
117.07014	1.8
119.96082	0.7
120.97806	0.6
125.00000	80.2
128.06264	0.8
129.06998	1.9
131.08575	0.5
137.97134	1.2
138.98950	0.8
143.01009	2.6
143.08563	1.8
155.98169	0.9
157.10139	0.9
166.02693	1.0
184.07336	94.2
185.07677	1.9
185.13251	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
50.01600	0.2
53.03940	0.4
55.01868	0.7
55.05502	0.9
56.05026	0.7
56.96562	3.8
57.03436	0.5
58.06592	0.4
59.06128	0.2
60.04516	0.8
61.02909	0.2
65.03932	3.6
67.05502	1.4
68.05023	0.7
69.03434	1.1
69.07068	0.8
69.84448	1.2
70.06589	3.5
71.04987	0.8
71.06096	0.2
71.07358	0.3
72.08163	0.2
73.02914	0.4
79.01836	0.3
79.05479	1.1
80.05013	0.5
81.03403	0.6
81.04520	0.3
81.07060	1.4
82.06574	1.7
83.04978	0.5
83.06091	0.4
84.04501	0.4
84.08133	0.5
84.96046	0.3
85.02906	0.7
86.03591	0.3
86.06067	0.6
86.09702	2.5
87.04484	0.3
89.52645	0.2
91.05473	0.4
92.04994	2.6
93.07028	0.6
94.06561	0.5
94.74355	0.2
95.04946	1.7
95.06120	0.3
95.07362	0.2
95.08611	0.3
96.04515	0.9
96.05286	0.9
96.08131	2.2
97.02904	0.9
97.06525	0.2
97.07658	0.6
98.06078	0.9
98.97583	1.3
98.98454	1.0
99.04444	0.2
100.07590	0.2
101.00824	0.2
104.05000	0.6
104.10725	0.2
105.03368	0.4
106.03712	0.3
107.04948	1.0
107.06080	0.2
107.08575	0.5
109.02940	0.3
109.06551	0.3
109.07617	0.5
110.06049	2.9
110.06843	0.2
110.07156	0.4
110.09682	0.8
111.04398	0.3
111.05537	0.3
112.07538	0.3
114.02952	0.2
116.98611	1.2
119.01925	2.7
120.02060	0.3
120.04442	2.9
120.08126	0.3
121.02842	0.5
122.02388	0.6
122.06020	0.6
122.09656	1.7
123.04450	2.1
123.11662	0.3
124.03925	0.7
124.04784	0.6
124.07643	1.6
124.11222	36.9
124.99970	1.3
125.02383	0.4
125.07073	0.3
125.11563	0.2
126.05504	0.2
128.02312	0.2
128.07047	0.3
128.98499	0.4
130.02856	0.3
134.80037	0.2
134.99638	1.8
137.02953	1.7
138.05487	7.1
138.09102	0.7
138.12766	2.6
139.03865	0.3
139.05975	0.3
139.08669	0.2
141.05011	0.3
142.03473	0.5
142.08635	0.3
143.01836	0.3
146.99612	1.0
148.03920	87.0
148.11148	1.2
149.01245	0.3
149.04250	1.4
149.05872	0.2
151.03864	0.2
153.00642	0.4
157.09756	0.3
160.02856	0.2
160.04515	0.5
160.97768	0.2
161.01263	0.7
161.02818	0.2
164.05229	0.2
166.04988	100.0
166.12251	6.4
167.05351	1.7
167.08087	0.3
177.00653	0.4
179.03943	0.2
179.07257	0.2
184.06017	8.0
184.07423	1.3
184.09639	1.4
184.13313	30.9
185.09299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01862	3.3
55.05517	11.4
56.96581	2.5
57.03431	5.6
57.07064	5.9
65.03919	5.3
67.05496	30.9
69.03413	3.3
69.07065	11.0
69.34054	19.2
71.04998	13.1
72.41769	2.1
75.49680	1.9
79.05492	8.7
81.06586	2.6
81.07052	51.8
83.04971	4.4
83.08607	3.8
85.02872	2.1
85.06534	9.6
91.05463	17.3
93.07047	12.0
95.04970	34.5
95.08132	1.8
95.08604	17.6
97.06504	8.2
98.98465	60.6
99.04452	5.6
99.08077	5.7
103.80363	1.9
103.84290	1.7
105.03381	31.9
105.04503	2.9
105.07037	21.2
107.08601	8.6
109.06522	4.0
109.10116	4.3
111.08078	6.2
113.05998	2.2
115.05428	5.9
116.99519	2.6
117.07023	10.3
119.08574	16.3
121.10119	21.7
122.74722	1.9
123.04424	16.2
123.08059	6.3
123.11696	37.7
125.02264	2.7
125.09647	3.0
127.01543	6.4
127.07561	2.0
128.06190	2.3
129.07004	12.0
137.05988	4.9
137.09604	2.6
137.13210	3.2
140.04634	4.9
141.06978	100.0
142.07666	7.3
147.11688	36.7
153.07014	10.2
154.07753	3.7
155.04640	2.1
155.07266	4.4
155.08549	49.3
165.09084	2.2
165.12729	14.2
168.09341	17.1
183.06506	4.3
183.07993	3.3
183.10045	2.9
183.11688	57.1
183.13530	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.8
56.96583	0.4
71.33845	0.6
82.99821	0.4
101.00207	0.6
101.00877	12.6
102.00916	0.5
118.03493	0.6
119.01917	100.0
120.01990	4.7
124.02449	0.9
137.02953	42.4
138.03064	1.8
142.03493	16.9
143.03665	1.6
158.06647	0.8
160.04555	7.2
161.02963	4.6
161.04660	1.3
165.05119	0.5
176.07672	0.3
177.00864	0.3
179.00603	0.3
179.04013	6.4
179.05574	0.6
184.04443	0.4
202.05614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	Kinabalurine E
Peak:m/z	Relative Intensity
52.38305	2.5
53.52611	1.8
55.01863	2.9
55.05510	15.9
56.96551	5.8
57.07058	6.3
58.02965	58.4
67.05509	43.4
69.03425	2.5
69.07073	96.6
70.06582	4.5
71.05000	2.2
71.07827	4.3
74.89056	2.3
79.05499	13.2
80.05820	2.5
81.03400	3.1
81.07063	35.2
83.04959	2.4
83.08620	12.6
84.08163	14.0
86.06075	2.0
91.05460	7.9
93.07048	19.2
95.04989	13.4
95.08633	15.0
97.06524	6.8
98.06081	3.8
98.09676	2.9
98.97576	6.8
98.98497	14.4
99.97909	3.3
100.07648	11.7
105.03387	7.4
105.07044	21.3
106.07316	2.5
107.08598	29.7
108.08896	3.4
109.06516	2.0
109.10162	67.2
110.10470	2.8
112.07652	4.3
114.09158	15.4
116.98601	9.2
116.99330	2.5
117.98932	3.4
119.08537	3.7
119.80455	1.8
121.10126	3.3
123.04438	4.8
123.08068	3.6
123.11727	14.2
124.12048	1.8
126.09167	16.7
126.12783	2.9
127.01512	2.8
133.10139	37.4
134.99635	10.4
135.11682	27.4
136.00024	4.5
138.12776	27.4
141.06915	2.7
147.11703	9.9
151.11205	14.0
153.00714	3.1
153.06851	2.2
153.12767	15.5
154.15947	2.6
164.07907	6.4
164.14342	3.5
165.12762	5.0
166.98622	2.2
182.01013	2.6
182.15405	100.0
183.11703	5.4
183.15681	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1176
Annotation	Chrysogedone A
Peak:m/z	Relative Intensity
51.02405	0.5
53.03952	2.4
54.03498	0.5
55.01866	5.8
55.02105	0.5
55.05500	1.2
56.05049	1.3
56.96563	2.7
57.03429	1.2
58.06612	0.7
59.06129	1.8
60.08170	0.6
65.03955	2.0
66.04713	0.6
66.48461	0.5
67.05501	6.0
68.05038	2.0
69.03426	3.4
69.07070	2.4
70.06589	1.9
70.34192	0.6
71.04997	1.8
71.57326	1.0
71.57697	1.0
73.02917	2.6
79.05491	3.8
80.05016	2.9
80.05795	0.7
81.03425	2.4
81.07058	3.9
82.06590	1.8
83.04989	1.6
83.06100	1.6
84.04510	1.2
84.08135	0.8
85.02893	1.4
86.06068	1.1
89.03932	1.0
90.04247	2.9
91.05480	5.9
92.05019	1.1
92.05836	0.7
93.05793	1.2
93.07026	4.2
94.04189	0.7
94.06554	5.6
94.07407	0.9
95.04967	14.8
95.06100	1.9
95.07352	1.1
95.08601	2.9
96.04494	1.5
96.05271	1.2
96.08113	2.2
97.02897	2.1
97.06523	1.7
97.07633	0.9
97.20975	0.5
98.06069	1.4
98.07204	0.7
98.97605	1.7
98.98454	7.1
99.04425	0.8
103.05486	0.6
105.03382	5.0
105.04523	1.2
105.07020	1.3
106.06560	0.9
107.04968	1.1
107.07318	1.6
108.04464	2.4
108.05268	1.2
108.08112	19.7
108.08866	1.2
109.02884	0.9
109.06530	3.0
109.07653	2.1
109.10156	1.9
110.06043	12.6
110.09668	2.6
111.04436	1.2
111.05604	0.7
112.04021	0.6
112.07616	0.8
116.98618	2.1
117.05741	1.7
118.03703	2.9
118.06560	5.0
119.04940	1.4
119.08590	3.2
120.08089	1.9
121.06461	0.8
121.08911	0.8
121.10107	1.0
122.03652	1.1
122.06017	1.7
122.07078	0.9
122.09663	17.4
122.10387	0.7
123.04422	8.9
123.05536	2.1
123.06786	0.6
123.08105	2.8
123.09065	0.5
124.07574	1.4
124.08506	0.9
125.07087	1.5
126.05559	0.7
126.09149	0.7
127.01550	1.2
128.98598	0.8
129.06981	0.5
131.07301	0.6
134.09651	0.7
134.99638	1.9
135.04401	1.3
136.03874	0.8
136.04764	6.2
136.07578	14.9
136.08562	1.2
136.11194	15.3
136.12157	0.9
137.06003	3.7
137.06984	0.9
137.09595	1.9
138.06342	1.3
138.09091	1.5
139.03923	0.9
139.09724	0.6
140.03441	1.4
140.04633	2.9
140.07132	0.9
140.08185	2.3
141.06589	0.6
146.03201	4.0
146.09637	18.0
146.99641	1.2
147.03261	0.6
147.07980	1.6
152.07040	1.6
153.00648	0.8
153.05418	0.6
154.04988	0.5
154.07468	0.6
154.08511	2.8
154.12244	0.9
155.07047	1.1
155.08289	0.5
162.09155	1.0
163.03923	1.1
164.02075	0.6
164.04268	16.2
164.07091	5.3
164.08371	3.0
164.10703	100.0
165.05482	1.5
165.11131	3.4
166.09720	0.9
166.98575	1.0
167.07019	0.6
168.04175	0.7
177.00676	1.4
182.00920	1.8
182.04446	1.5
182.07954	3.8
182.11746	23.3
183.06482	2.9
183.07904	0.6
183.10172	0.8
183.12119	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1585
Annotation	(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
51.02387	0.7
53.03948	2.0
55.01867	8.0
55.05505	29.6
56.96559	17.5
57.03434	1.8
57.07074	5.0
59.04999	1.7
65.03952	0.9
67.05500	11.1
69.03426	1.6
69.07063	8.1
71.04993	2.2
71.58170	1.0
71.95263	2.9
79.05489	12.7
81.03421	1.6
81.07054	14.4
82.46986	0.7
83.04974	100.0
83.08614	8.7
84.05312	1.8
85.06532	2.5
91.05486	5.7
93.07035	15.9
95.04961	5.1
95.08600	9.3
97.06535	7.4
97.10150	3.0
98.97572	31.0
103.05470	2.0
105.07024	4.8
107.04958	1.8
107.08593	10.5
109.06539	0.7
109.10152	3.2
111.04439	1.8
111.08071	7.2
116.98609	54.2
117.06980	1.6
119.08557	1.1
121.06503	1.9
121.10136	11.6
121.10931	1.1
123.08054	0.8
123.11670	0.7
125.05978	6.5
125.09642	2.0
134.99644	96.1
135.04410	1.5
135.08063	1.9
135.11684	4.7
136.00000	1.7
139.03885	2.7
140.00153	3.5
145.10126	2.7
153.00697	26.1
157.99944	1.0
158.01251	17.0
163.03853	1.5
163.07521	12.1
163.11162	10.8
163.14803	2.4
176.02211	3.3
181.01350	0.9
181.02855	2.1
181.04926	2.0
181.06430	1.6
181.08592	2.6
181.10008	0.9
181.10631	0.7
181.12219	6.6
181.15851	9.5
182.00854	1.4
202.78963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03939	0.6
55.01877	0.5
55.05503	0.5
56.96577	1.4
56.96807	0.3
57.03442	0.4
65.03936	1.1
67.05492	1.1
68.05019	0.8
69.03427	0.9
69.07029	0.3
70.06585	0.8
70.88321	0.5
74.02435	0.8
77.03897	0.3
79.05495	0.9
80.05006	0.6
81.03428	0.8
81.07063	0.7
82.06598	0.4
83.06131	0.3
83.08577	0.3
85.02909	0.5
86.06051	0.3
88.25389	0.3
91.05479	44.1
92.05795	0.8
93.07010	0.6
94.06571	1.0
95.04972	6.3
95.06073	0.8
96.04482	0.3
97.02901	0.3
98.06046	0.8
98.97580	0.9
98.98474	1.2
102.13147	0.3
103.05474	1.5
105.03371	0.7
106.06562	0.4
107.04956	1.4
108.05249	0.6
108.08129	1.5
109.06541	2.5
109.07638	0.5
111.04449	0.3
116.98605	0.9
118.06535	3.3
119.01804	0.6
119.04939	40.1
120.05266	1.0
121.06499	0.7
122.06039	1.3
123.04428	14.2
125.07130	0.4
134.99736	0.5
135.75346	0.3
136.07573	100.0
137.05974	0.9
137.07945	1.9
140.07034	0.5
147.04404	4.8
152.07111	0.6
153.05412	0.4
154.04945	0.4
154.08620	0.8
158.99609	0.4
164.04224	1.2
164.07042	0.9
164.08267	0.3
165.05470	5.5
165.89131	0.3
177.00662	0.5
182.00908	0.4
182.08073	3.6
182.09389	0.3
182.15254	0.4
183.10001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.63685	1.4
53.03921	6.3
55.01858	4.0
55.05514	8.9
56.05024	2.6
56.96552	3.7
57.03437	1.5
58.02950	2.2
58.06589	1.6
59.06113	2.3
60.85578	1.5
65.03912	6.4
66.04707	1.6
67.05505	23.8
68.05017	4.2
69.03431	2.9
69.04569	1.5
69.07061	9.3
70.02942	1.8
70.06584	3.1
70.28602	1.6
70.82265	1.4
70.82600	4.6
71.04968	2.0
72.04510	2.9
79.05079	2.7
79.05492	36.8
80.04999	5.5
80.05805	5.0
81.03433	3.0
81.07052	44.6
82.06589	3.2
82.07354	2.3
83.04955	2.6
83.06084	2.7
83.08621	2.6
84.08128	1.7
85.02882	2.8
86.02396	4.5
86.06068	2.9
91.05482	12.4
92.05810	1.8
93.05795	8.3
93.07036	8.0
94.06542	5.3
94.07367	7.6
95.04968	26.9
95.06050	2.1
95.08565	6.8
96.04462	6.2
96.05270	2.0
96.08108	3.2
96.08916	2.4
97.02882	2.6
97.06519	9.4
97.07613	2.8
98.06021	6.4
98.09679	3.7
98.98474	13.9
99.04427	2.8
105.03356	6.1
105.04485	1.9
105.07009	3.1
107.07308	5.5
107.08550	2.6
107.41459	1.6
108.04458	4.0
108.08121	59.7
108.08862	3.6
109.06504	12.8
109.10128	2.1
110.06042	9.7
111.04395	3.3
116.98650	1.5
118.06506	4.1
118.07318	2.1
119.08550	3.4
120.04414	1.9
121.05206	4.6
121.06480	4.5
121.10159	2.9
122.02343	2.1
122.03604	1.8
122.05991	5.2
122.06861	5.0
122.09656	2.9
122.10454	7.4
123.04439	10.9
123.05505	6.4
123.08086	3.7
124.05202	1.8
124.07557	5.1
124.08428	2.9
125.05997	28.8
125.06944	2.4
126.05518	30.5
126.06398	3.2
126.09158	18.9
127.01492	1.9
134.04590	3.1
134.99644	3.3
136.07571	100.0
137.05927	5.4
137.09598	3.5
138.05473	4.9
138.09167	2.4
139.09784	2.4
140.04640	5.3
140.07123	3.3
140.08145	11.0
141.01791	2.0
141.06526	1.6
146.10529	2.0
147.07938	2.3
150.06319	1.7
152.07030	3.0
154.04965	1.7
154.08624	28.4
154.09807	2.6
155.07037	3.2
155.08487	1.6
164.04167	4.9
164.07050	73.4
164.08180	2.7
164.10551	9.8
165.05502	2.3
165.09200	1.8
166.98561	2.4
167.07007	6.7
168.04129	1.6
171.70926	1.6
174.49873	1.5
181.04965	3.3
182.00858	4.0
182.04620	7.4
182.08093	62.4
182.11688	6.1
183.06555	3.2
183.08070	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.71297	0.8
55.01870	1.1
55.05501	3.0
56.02030	0.7
56.96558	3.3
57.03442	1.0
57.07071	19.3
59.05000	2.9
67.05502	3.5
67.41436	0.8
69.03410	2.4
69.07067	4.3
69.52948	7.2
74.61273	1.1
79.05486	11.3
81.03419	5.7
81.07053	5.7
83.04980	53.6
84.56989	1.1
85.06551	1.0
91.05449	5.7
91.68233	0.8
93.07039	10.0
95.04958	17.3
95.08597	1.1
97.06530	25.5
98.97582	8.4
103.05473	1.2
105.07039	8.3
107.04944	3.5
107.08587	13.9
109.06519	2.1
111.04482	1.2
115.05486	0.9
116.98611	10.0
117.07009	3.6
119.08575	3.5
121.06488	2.4
121.10126	15.2
123.08048	1.3
125.05988	57.7
126.06296	0.8
130.07755	3.9
134.99648	18.0
135.04340	1.3
135.11688	8.1
140.00218	1.0
143.08534	1.1
145.10121	12.4
148.05208	0.9
153.00732	4.9
153.01793	0.9
153.06964	1.1
158.01241	2.8
163.03903	2.0
163.07571	5.0
163.11176	100.0
164.11554	3.1
166.07764	2.1
181.04936	1.8
181.08670	1.8
181.10144	1.9
181.10468	1.6
181.12215	22.3
181.15767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01865	1.8
55.05503	4.3
56.19936	1.0
56.96560	2.7
57.03399	1.6
57.06792	1.2
57.07073	22.8
58.14754	1.1
59.04990	2.5
67.05507	2.2
69.03413	1.1
69.07062	4.7
69.38787	11.5
78.13030	1.0
79.05485	13.1
81.03412	6.4
81.07038	6.7
83.04977	59.8
85.06544	1.3
91.05470	6.2
91.20628	0.9
93.07041	12.1
95.04964	20.4
95.08611	1.6
97.06527	30.0
98.21516	2.0
98.97587	4.9
103.05488	1.3
105.07005	10.0
107.04935	3.9
107.08586	15.4
109.06483	1.9
116.98597	8.8
117.07020	3.3
119.08568	5.2
121.06490	4.8
121.10137	16.6
123.07976	1.0
125.05990	73.8
126.06325	2.1
130.07774	2.5
134.99652	16.5
135.08014	1.5
135.11711	7.0
144.53717	1.2
145.10118	14.2
153.00687	4.6
155.48857	1.1
158.01265	2.5
163.07549	12.2
163.11176	100.0
164.11526	3.2
166.07822	1.9
167.92342	1.0
181.05002	2.2
181.06516	1.2
181.08659	3.2
181.10107	2.0
181.12225	25.8
181.13707	2.0
182.05873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
54.70282	1.2
55.01870	1.5
55.05506	2.2
56.96570	2.3
57.03440	1.4
57.06790	1.2
57.07077	21.4
58.41400	0.9
59.05004	2.7
61.15772	0.9
62.51972	0.8
67.05501	1.9
69.03425	2.6
69.07078	5.6
69.91072	5.7
79.05491	12.3
81.03409	7.6
81.07066	6.2
83.04978	53.5
83.08604	1.1
84.05315	1.7
84.34418	1.0
91.05470	5.9
93.07040	9.7
95.04977	17.7
95.08615	1.5
97.06530	26.4
98.21539	1.0
98.70834	1.0
98.97585	5.0
103.05465	1.4
105.07023	8.2
107.04945	3.0
107.08590	14.2
109.06525	1.3
113.34007	1.2
116.98610	8.6
117.07008	1.7
119.08595	4.8
121.06509	2.9
121.10144	16.0
125.05996	57.8
126.06321	1.0
130.07785	3.8
134.99664	14.6
135.08109	1.5
135.11699	6.6
140.00169	1.4
145.10127	14.5
148.08852	1.5
152.06218	1.1
153.00729	4.1
153.20871	1.0
158.01289	2.7
163.07565	8.0
163.11182	100.0
164.11560	4.4
165.06923	1.5
166.07788	3.1
181.05051	1.5
181.06508	1.2
181.08723	1.6
181.10449	1.8
181.12238	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.01870	3.2
55.05510	29.3
56.96300	1.7
56.96565	29.2
57.03431	1.6
57.07073	8.3
59.04995	1.8
65.03922	2.1
65.21291	0.9
67.05505	16.8
68.60619	0.9
69.03411	2.5
69.07060	6.7
70.64640	1.6
70.64949	0.9
71.04990	2.1
71.95258	3.6
79.05487	18.3
81.03398	1.9
81.07049	14.2
83.04982	17.2
83.08591	2.1
85.06533	3.8
91.05476	13.9
91.21639	0.8
93.07041	34.6
95.04974	9.2
95.08607	20.8
97.02332	1.4
97.06525	12.7
98.97584	56.5
103.05476	4.5
105.04517	1.1
105.07026	17.7
106.07289	0.9
107.04930	2.8
107.08597	33.3
108.08937	1.3
109.06528	7.4
109.10142	4.3
111.04441	58.3
111.08073	8.0
112.04777	1.3
113.05965	3.7
116.98618	77.0
117.07028	4.1
119.08598	5.4
120.09361	1.0
121.06520	6.7
121.10146	12.7
122.07253	2.0
123.05621	0.9
123.08057	3.3
124.76024	0.9
125.05988	40.4
125.62601	1.1
127.07541	2.0
128.06212	1.0
128.13091	0.9
129.07010	1.0
130.07768	3.0
131.04900	1.0
133.06473	0.9
134.99655	100.0
135.04399	2.3
135.08057	17.3
135.11690	26.5
136.00063	1.0
138.06767	2.7
139.07535	3.8
139.11143	0.8
140.00189	4.1
145.10110	18.6
153.00697	23.4
153.01915	1.6
153.12732	3.7
158.01250	12.4
163.03918	6.8
163.07544	28.8
163.09747	0.8
163.11171	20.6
164.07936	1.2
165.06876	1.3
176.02252	2.6
181.04945	3.4
181.06384	1.5
181.08606	3.4
181.10063	1.9
181.10449	1.4
181.12228	39.7
182.04428	1.0
182.12683	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03936	2.8
55.01871	9.1
55.05508	7.7
56.96300	1.1
56.96564	17.5
57.03433	2.2
57.07063	1.8
59.04982	2.2
65.03913	1.1
67.05509	10.0
69.03426	1.7
69.07061	5.3
69.91824	2.7
69.92231	2.0
71.01341	1.0
71.04955	1.1
71.95251	3.3
79.05491	23.3
81.03405	2.3
81.06649	1.1
81.07058	13.9
83.04979	12.6
83.08615	2.4
89.90718	0.7
91.05478	12.0
93.07043	27.0
95.04966	9.3
95.08066	1.2
95.08607	14.7
97.06529	6.8
98.21477	1.5
98.97582	49.7
103.05462	14.0
105.06312	0.9
105.07030	27.6
107.04948	4.0
107.08594	30.1
108.04442	0.9
108.08926	1.0
109.06525	2.8
109.10139	2.3
111.04442	1.4
111.08093	2.7
115.05441	2.0
116.98618	70.3
117.06992	3.0
119.08566	6.2
120.05730	2.0
121.06532	5.2
121.10130	20.6
123.08086	5.0
125.05983	5.6
131.04904	3.6
133.06485	2.4
134.99654	96.0
135.04346	2.2
135.08069	4.1
135.11681	35.8
135.12721	1.8
135.87067	0.7
136.00003	0.9
136.11992	1.2
137.05968	1.1
137.09634	1.2
137.13254	1.4
139.03868	0.8
139.07539	6.5
140.00195	4.1
142.70087	0.7
145.10114	11.1
148.05156	2.0
153.00702	22.3
153.12717	3.5
158.01250	9.8
163.03918	4.2
163.07541	100.0
163.11174	23.6
164.07887	3.7
165.06963	1.8
166.07837	1.5
176.02280	3.0
181.04965	2.3
181.06429	1.0
181.08827	5.4
181.12221	58.6
182.12599	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	7.1
53.55595	1.3
54.03449	1.2
55.01873	14.4
55.05508	13.3
56.05039	1.7
56.96568	10.7
57.03436	8.1
57.07074	16.4
59.04989	2.8
59.06125	1.6
65.03938	12.3
67.05509	16.3
68.05022	3.8
68.99798	1.3
69.03426	14.9
69.04519	1.4
69.07065	13.8
70.06583	1.2
71.01344	1.1
71.04996	14.5
71.08629	1.4
71.57504	2.3
77.03931	1.9
79.05492	36.5
80.05013	2.1
80.05853	1.3
81.03413	3.6
81.04539	1.7
81.07057	30.8
82.04194	1.9
82.05320	1.1
83.04984	27.6
83.06075	2.4
83.08623	4.9
84.96000	1.9
85.02911	6.0
85.06532	3.8
86.06020	1.0
89.03919	1.9
91.05481	38.6
92.05798	1.8
93.03422	2.6
93.07043	92.7
94.06562	1.3
94.07400	1.3
95.04967	26.9
95.06059	3.2
95.08601	17.6
96.04518	1.6
96.05649	1.2
97.02900	2.7
97.06528	19.2
97.07638	3.4
97.10142	1.6
98.07181	2.0
98.97578	25.0
99.04450	1.7
99.05569	2.2
103.05460	9.6
105.04498	1.9
105.07028	22.1
106.04175	4.4
107.04945	8.9
107.07864	2.6
107.08592	45.6
108.02118	1.9
108.08878	1.4
109.02795	1.5
109.06522	13.2
109.07657	2.7
109.10154	6.7
110.03668	2.0
111.04467	7.0
111.05598	2.5
111.08045	5.8
112.08742	1.4
112.99103	1.8
113.05953	1.7
114.76266	1.1
116.98616	28.6
117.03349	1.7
117.07006	6.8
119.04949	2.1
119.08574	14.6
121.02888	1.9
121.06506	28.8
121.10141	100.0
122.06007	1.0
122.07195	5.4
122.10493	3.3
123.04415	6.0
123.05538	3.1
123.08074	16.8
123.11709	2.1
124.05076	1.3
124.08636	1.3
125.06002	15.4
125.09600	4.1
127.07569	3.0
130.07785	3.8
131.00146	3.7
132.22473	1.2
134.03647	1.2
134.99657	33.3
135.04425	4.9
135.08092	7.2
135.11699	20.9
136.07549	4.8
136.08557	1.9
137.06003	6.2
137.06956	1.2
137.09618	7.1
137.13235	1.8
138.03133	2.0
138.06638	1.6
139.03917	4.1
139.04950	1.7
139.06584	1.6
139.07547	7.4
139.09857	2.5
139.11176	7.6
140.08209	3.5
145.02838	1.4
145.10126	24.3
146.99644	1.1
148.05164	1.9
149.01224	6.3
149.02344	2.0
149.05995	12.2
151.03900	2.4
153.00716	6.6
153.05495	1.2
153.06903	1.5
153.09076	2.4
158.01271	1.8
158.99638	4.1
160.97537	1.7
162.99274	1.7
163.03893	12.7
163.07524	8.9
163.11179	61.9
163.14883	1.6
164.07056	1.6
164.08269	3.0
164.10626	2.7
165.06949	2.0
166.07805	2.1
171.06541	1.9
173.01207	2.1
174.45438	1.2
177.00711	7.6
181.01329	1.6
181.04959	13.7
181.06558	3.7
181.08582	10.1
181.10799	3.5
181.12221	28.8
181.15839	2.8
182.00902	1.2
191.02310	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03948	1.8
55.01885	1.6
55.05503	1.0
56.96561	7.3
57.03440	0.5
57.07071	0.9
65.03945	1.1
67.05505	1.8
69.03416	1.2
69.07046	0.8
69.52898	2.3
71.04996	0.9
71.95251	0.9
79.05489	12.2
81.03410	0.8
81.07059	2.5
83.04966	2.2
83.08626	0.4
85.02905	0.5
89.03898	0.7
90.27045	0.4
91.05477	6.6
92.06274	0.8
93.03399	0.5
93.07040	4.2
95.04962	6.5
95.08609	1.1
97.02917	0.3
97.06524	1.5
98.97580	16.8
103.05458	14.7
105.03368	0.6
105.04528	0.9
105.07027	26.3
106.04187	0.4
107.04951	1.8
107.08584	3.7
109.06509	1.8
111.04443	0.8
111.08089	0.7
115.05461	1.6
116.98615	25.1
117.06988	0.9
120.05717	1.6
121.06508	3.4
121.10133	4.2
122.07142	0.3
123.04464	0.4
123.08046	1.1
125.05997	2.5
131.04924	3.4
133.06506	2.8
134.99651	44.9
135.04407	2.9
135.08051	4.2
135.11699	1.6
136.07509	0.4
137.06006	0.5
137.13290	0.4
138.06754	0.4
139.09830	0.4
140.00165	1.5
145.10101	1.0
148.05194	2.0
149.05969	0.9
152.06212	0.5
153.00699	12.7
153.01918	0.8
153.05490	0.4
153.06985	0.4
153.09100	0.7
158.01265	5.6
163.03917	5.1
163.07535	100.0
163.11165	3.7
164.07939	2.3
166.07741	0.8
171.58716	0.3
176.02289	1.2
179.08568	0.3
181.01312	0.5
181.02811	0.4
181.03461	0.3
181.04933	2.4
181.06487	6.4
181.08577	5.3
181.10121	1.0
181.12231	1.1
181.15787	0.4
184.35234	0.4
200.10762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
51.02373	0.2
52.04095	0.1
53.03939	1.3
55.01867	1.5
55.05515	0.4
56.96557	1.8
57.03435	0.2
57.07066	0.2
65.03920	0.8
66.04726	0.1
67.05502	0.8
69.03434	0.3
69.07070	0.4
70.74236	0.5
71.04990	0.5
74.71648	0.2
77.03909	0.4
79.05490	10.6
81.03415	0.5
81.07054	0.8
83.04990	0.9
85.06532	0.2
91.05474	5.6
92.06261	0.5
93.07035	1.8
95.04964	5.2
95.08614	0.6
97.06539	0.4
98.96931	0.2
98.97580	4.7
102.04683	0.5
103.05463	16.2
104.05748	0.3
105.03426	0.4
105.04511	0.7
105.07027	29.0
106.07378	0.6
107.04921	1.0
107.08598	1.3
109.06517	1.0
111.04452	0.2
111.08080	0.2
115.05450	1.8
116.98617	6.9
117.07011	0.7
119.04939	0.5
119.08585	0.3
120.05715	1.9
121.06512	1.6
121.10145	1.0
123.08066	0.7
125.05997	0.5
131.04927	3.6
133.02919	0.2
133.06502	2.8
133.07506	0.3
134.99651	8.2
135.04405	2.4
135.08052	2.8
135.11693	0.5
137.05943	0.3
138.06805	0.2
139.03897	0.2
145.10121	0.4
147.04414	0.4
148.05177	1.9
149.05965	0.5
151.03937	0.1
153.00706	2.2
153.05443	0.2
158.01262	1.1
163.03954	1.8
163.07535	100.0
164.07881	2.4
166.07677	0.2
175.10362	0.1
181.05121	0.9
181.06383	0.3
181.08618	4.7
181.10110	0.3
181.12151	0.8
182.92575	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
50.92847	0.2
51.02365	0.3
53.03938	1.2
55.01869	2.1
55.05498	1.0
56.96556	1.3
57.03427	0.3
57.07058	0.4
65.03927	1.0
67.05498	1.7
68.14738	0.2
69.03410	0.6
69.07047	0.7
69.89406	1.0
71.01322	0.3
71.04967	0.8
75.04485	0.3
77.03918	0.5
78.04682	0.4
79.05486	11.8
81.03395	0.4
81.07055	2.0
82.04150	0.2
83.04971	1.2
83.08615	0.8
85.02901	0.3
85.06514	0.3
91.05470	6.9
92.06248	0.8
93.03387	0.5
93.07037	5.2
95.04956	6.3
95.08612	1.4
97.06508	0.9
98.21536	0.2
98.97570	3.0
102.04667	0.6
103.05459	15.2
105.03402	0.5
105.04502	0.8
105.07020	26.8
106.04159	0.3
106.07334	0.6
107.04977	1.3
107.08586	3.3
109.06506	1.2
109.10156	0.3
110.03669	0.3
111.04443	0.6
111.08059	0.6
115.05451	1.7
116.98606	3.6
116.99423	0.2
117.07017	0.7
119.04913	0.6
119.08552	0.8
120.05706	1.9
121.02869	0.2
121.06511	3.8
121.10133	4.7
123.04475	0.2
123.05479	0.3
123.08079	1.4
125.05984	1.0
131.04907	3.7
133.06491	2.9
133.07520	0.3
134.03630	0.4
134.99648	4.9
135.04378	2.1
135.08044	2.8
135.11676	1.7
136.07637	0.2
137.05949	0.9
139.07561	0.4
140.08095	0.2
145.10094	0.8
147.04350	0.4
148.05171	2.0
149.05978	1.5
152.06126	0.3
153.00687	1.2
153.06989	0.4
153.09076	0.3
154.12225	0.3
158.01291	0.6
163.07524	100.0
163.11113	2.2
164.07896	2.5
165.06993	0.3
166.06276	0.3
181.05005	1.3
181.06287	0.5
181.08603	5.8
181.10158	0.6
181.10858	0.2
181.12111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03947	1.8
55.01866	1.2
56.96556	0.4
62.63038	0.2
65.03916	0.3
65.85496	0.2
67.05497	0.4
69.83645	1.4
71.05007	0.3
72.92032	0.2
77.03918	0.5
79.05489	10.1
81.03415	0.3
81.07077	0.2
90.04692	0.3
91.05477	4.1
92.06243	0.6
93.07038	0.6
95.04968	4.3
98.20836	0.4
98.97592	1.7
103.05461	17.3
105.03422	0.5
105.04518	0.8
105.07026	27.6
106.07380	0.5
107.04935	0.7
107.08572	0.5
109.06502	0.8
115.05439	2.0
115.06696	0.2
116.98609	1.6
117.07023	0.5
119.04921	0.3
119.89537	0.2
120.05724	2.4
121.06468	0.6
121.84198	0.2
123.08019	0.9
131.04924	4.2
133.06485	2.8
133.07468	0.4
134.99657	1.4
135.04424	1.9
135.08038	2.1
145.06374	0.2
147.04420	0.5
148.05197	1.7
158.01254	0.3
163.07532	100.0
164.07892	2.5
181.08614	3.7
181.10175	0.3
181.12129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03947	1.6
55.01867	1.7
55.05503	0.7
56.96291	0.5
56.96561	5.9
57.03417	0.3
57.07065	0.4
65.03924	0.9
67.05512	1.3
68.05899	0.2
69.03415	1.5
69.07040	0.6
69.25020	2.5
71.04981	0.6
71.95254	0.7
77.03911	0.5
79.05490	11.4
81.03387	0.6
81.07048	0.8
83.04950	1.3
83.08635	0.4
85.02922	0.3
89.03921	0.4
91.05475	4.9
92.06253	0.5
93.07036	2.1
95.04961	5.3
95.08603	0.7
95.12357	0.2
97.02894	0.2
97.06525	1.0
98.97576	11.2
102.04678	0.3
102.90228	0.2
103.05466	14.1
105.03378	0.4
105.04498	0.7
105.07025	26.2
106.07344	0.6
107.04948	1.6
107.08591	1.7
109.06505	0.9
109.10114	0.3
111.04423	0.6
111.08077	0.4
115.05450	1.7
116.98612	17.4
117.07000	0.9
118.06511	0.3
119.04919	0.3
120.05707	2.3
121.06521	1.5
121.10149	1.6
123.08108	1.1
125.05994	1.2
131.04939	3.3
133.06483	2.9
134.99651	26.4
135.04433	2.4
135.08047	3.1
135.11659	0.7
137.05904	0.2
139.03830	0.3
140.00175	1.2
145.02864	0.3
145.10132	0.5
147.04347	0.4
148.05199	1.8
149.05391	0.5
152.06097	0.3
153.00688	6.8
153.09024	0.4
158.01262	3.1
163.03912	9.8
163.07530	100.0
163.11113	2.0
164.07899	3.2
165.07001	0.6
166.07784	0.9
176.02333	0.7
181.05070	1.6
181.06404	0.5
181.08614	5.1
181.10127	0.7
181.12221	1.0
181.15895	0.5
182.00919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
51.02384	0.3
53.03943	1.7
55.01855	1.4
56.96556	0.6
65.03928	0.6
67.05495	0.5
70.23920	0.7
70.24303	0.7
71.04993	0.5
77.03904	0.8
79.05489	11.1
79.05959	0.5
81.07064	0.5
83.04960	0.5
88.38284	0.3
89.71032	0.3
90.04620	0.3
91.05472	4.2
92.06257	0.8
93.06997	0.6
95.04954	4.7
95.08570	0.4
98.97585	1.7
100.42547	0.3
102.04667	0.4
103.05460	15.4
105.03406	0.6
105.04512	0.4
105.07022	26.6
106.07368	0.5
107.04919	0.7
107.08591	0.5
109.06507	0.4
115.05460	1.5
116.98599	1.7
117.07006	0.6
120.05709	2.5
121.06513	0.5
121.10066	0.3
123.08043	0.7
131.04938	4.3
133.06468	3.0
134.99625	1.4
135.04449	2.1
135.08022	2.1
147.04442	0.8
148.05182	1.4
163.07529	100.0
164.07864	2.9
181.04948	0.4
181.08566	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.04156	0.3
53.40654	0.2
55.01878	1.7
56.96548	0.7
60.50131	0.3
65.03923	0.3
70.25320	1.0
71.04996	0.6
77.03916	0.5
79.05489	9.0
83.04984	0.3
85.99332	0.3
91.05474	4.4
92.06222	0.8
93.07027	0.4
95.04955	3.8
98.97584	2.3
102.04684	0.3
103.05464	13.9
105.03384	0.4
105.04481	0.5
105.07027	27.2
106.07374	0.4
107.04941	0.7
107.08588	0.6
109.06491	1.0
115.05438	2.1
116.98620	3.6
117.07002	0.4
119.04909	0.4
120.05740	2.4
121.06492	0.6
121.10179	0.3
123.08049	0.9
131.04918	3.6
133.06479	2.5
134.99648	2.5
135.04398	2.2
135.08008	1.8
147.04333	0.4
148.05212	1.9
158.10931	0.3
161.76773	0.3
162.43652	0.3
163.07532	100.0
164.07887	3.2
165.97328	0.3
181.08565	3.9
181.12173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
51.02380	0.3
53.03941	1.6
55.01870	2.0
55.04604	0.2
55.05496	0.9
56.96557	3.4
57.03421	0.6
57.07064	0.6
65.03930	1.1
67.05487	1.8
69.03412	1.1
69.07053	0.9
70.12849	1.2
71.04983	0.6
71.95269	0.4
77.03916	0.5
79.05487	12.0
80.05779	0.3
81.03387	0.7
81.07048	1.5
83.04970	1.2
84.53830	0.3
85.02875	0.4
85.06518	0.3
91.05472	6.0
91.39327	0.3
92.06242	1.0
93.03396	0.3
93.07037	4.4
95.04955	6.0
95.08593	0.9
97.06513	1.3
98.97578	7.9
103.05457	14.7
105.03386	0.6
105.04519	0.5
105.07021	28.3
106.07346	0.4
106.30954	0.3
107.04938	1.4
107.08572	2.7
109.06500	0.8
109.10152	0.5
111.04427	0.6
111.08089	0.5
115.05457	1.5
116.98610	13.2
117.06993	0.9
119.04935	0.4
119.08555	0.6
120.05699	1.8
121.06526	2.7
121.10134	4.5
123.08065	1.2
125.05955	1.4
131.04916	3.8
133.06497	3.0
133.07484	0.5
134.99646	17.6
135.04427	2.3
135.08028	3.0
135.11678	1.5
136.00110	0.4
137.05959	0.7
139.03891	0.3
140.00162	0.5
140.08192	0.3
145.10112	0.9
147.04437	0.4
148.05165	2.5
149.05980	0.9
153.00702	4.7
153.05473	0.4
153.09123	0.3
154.08600	0.3
158.01253	1.7
163.03955	2.1
163.07527	100.0
163.11099	3.1
164.07898	2.9
165.06950	0.6
166.07753	0.7
171.06499	0.4
181.05061	1.6
181.06360	0.4
181.08624	5.3
181.10167	0.7
181.12076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
51.02380	0.8
53.03945	2.6
55.01870	3.3
55.04214	0.3
55.05514	2.4
56.96343	0.4
56.96568	4.8
57.03428	0.8
57.07085	0.7
65.03931	3.2
67.05499	3.6
68.05003	0.4
69.03437	2.1
69.07063	2.1
70.49442	0.7
70.49830	0.7
71.04987	1.7
71.95242	0.8
75.04452	0.4
77.03929	0.6
78.04688	0.5
79.05489	15.4
81.03396	1.4
81.07054	5.3
82.71638	0.4
83.04980	3.0
83.08605	0.8
85.02893	1.0
85.06539	0.7
89.03921	0.7
91.05477	12.1
92.06255	0.8
93.03384	1.1
93.07037	11.0
95.01370	0.4
95.04967	10.5
95.08609	3.4
97.02882	0.5
97.06519	2.9
98.97572	8.1
99.04462	0.5
99.08077	0.5
102.04694	0.4
103.05463	17.7
104.06312	0.4
105.03395	0.6
105.04493	0.9
105.07030	27.4
106.04169	1.3
106.07378	0.4
107.04945	3.1
107.08586	7.6
109.06519	2.4
109.10127	1.4
110.03667	0.6
111.04438	1.2
111.08047	1.2
113.81832	0.4
115.05451	1.9
116.98615	13.9
116.99450	0.7
117.03346	0.5
117.07008	1.3
119.04906	1.0
119.08568	1.2
120.05740	2.1
121.05663	0.7
121.06501	9.4
121.10142	10.5
122.03595	0.4
122.07148	0.5
123.04431	1.1
123.08062	1.6
125.06002	2.8
125.09641	0.5
131.04926	4.6
131.05840	0.6
133.06496	2.6
133.10043	0.4
134.03619	0.6
134.99652	27.6
135.04408	3.9
135.08034	4.8
135.11668	3.1
136.07523	0.6
137.02309	1.0
137.05946	2.0
137.09552	0.5
138.03120	0.6
138.06680	0.7
139.03862	0.9
139.07507	0.8
139.09685	0.5
140.00174	1.0
140.08153	0.5
145.02861	0.6
145.10135	2.4
147.04361	0.7
148.05190	2.0
149.05983	4.1
152.06107	0.6
153.00700	8.4
153.05479	0.8
153.06982	1.8
153.09029	1.0
158.01228	3.2
163.03937	4.7
163.07535	100.0
163.11136	6.3
164.07954	2.3
165.07014	0.9
166.06302	0.4
166.07715	1.0
171.06470	0.9
176.02353	0.7
181.01340	1.3
181.04947	5.4
181.06503	2.5
181.08635	7.8
181.10165	1.3
181.12129	3.3
181.15807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
50.01587	0.4
51.02367	0.7
53.03941	2.5
53.55799	0.3
55.01870	3.6
55.05261	0.4
55.05511	4.8
56.05030	0.4
56.96567	2.2
57.03423	1.4
57.07069	1.1
59.04986	0.8
61.23169	0.3
65.03938	4.6
66.04725	0.5
67.01874	2.4
67.05500	8.4
68.05017	0.6
68.31567	0.3
68.99786	0.6
69.03426	4.2
69.07060	3.4
70.06559	0.6
70.69959	0.3
71.01326	0.5
71.04989	1.2
71.58087	0.5
75.04478	0.6
77.03930	1.1
78.04711	2.8
79.05490	16.5
80.06275	0.6
80.61174	0.4
81.03427	2.5
81.04532	0.5
81.07050	5.4
82.04185	0.9
83.01352	0.4
83.04981	6.0
83.06078	0.5
83.08613	1.5
85.02883	1.4
85.06534	0.8
87.04451	0.6
89.03905	3.1
90.04710	2.0
91.05477	26.3
92.06264	1.3
93.03406	2.8
93.07041	36.3
94.04151	0.7
94.07353	0.4
95.04362	0.8
95.04968	14.1
95.06020	0.8
95.08607	8.1
96.05666	0.4
97.02872	2.1
97.06535	7.2
97.07599	0.4
97.10149	0.9
98.97584	4.0
99.04428	0.4
99.05569	0.5
101.07148	0.4
103.05462	4.8
105.03388	1.4
105.04510	1.5
105.07032	5.2
106.04170	3.4
107.04955	9.0
107.08591	19.6
108.02154	0.5
108.05760	2.5
108.08114	1.4
108.08846	0.5
109.06515	7.3
109.07640	0.6
109.10147	2.5
110.03645	0.6
110.07265	1.0
111.04461	2.3
111.08075	6.0
111.08760	0.5
112.07615	0.4
114.06673	0.5
115.05466	1.0
116.98621	6.5
117.03388	0.6
117.07014	2.5
118.04143	1.1
119.04940	1.0
119.06026	0.4
119.08573	3.8
120.05713	1.3
121.02885	0.9
121.06506	16.4
121.10140	20.9
122.03631	1.1
122.07276	1.6
123.04430	6.8
123.05386	0.5
123.08068	5.4
123.11655	0.6
124.05209	0.6
125.02322	1.2
125.05981	3.7
125.09640	2.2
126.05505	0.6
130.07762	0.5
133.02832	0.4
134.03615	1.2
134.99646	9.1
135.04417	3.8
135.08049	11.7
135.11690	9.0
136.05212	2.8
136.07564	3.4
136.08530	0.5
137.05975	17.2
137.09601	3.9
138.03116	1.1
138.06769	6.7
139.03865	2.0
139.07541	6.0
139.09755	0.5
139.11182	1.3
140.08182	0.8
145.02835	1.2
145.06438	0.5
145.10100	2.3
148.05183	50.3
149.06007	6.7
150.03087	0.4
151.03900	7.0
151.07506	0.9
153.00697	2.5
153.05530	0.7
153.07007	0.7
153.09108	3.3
153.12654	0.4
154.08572	0.6
157.08612	2.0
158.01210	1.2
163.03900	20.6
163.07544	12.0
163.09816	0.7
163.11159	6.9
163.14813	0.4
164.06976	2.1
164.08266	0.5
165.05470	2.5
165.06985	1.0
166.02661	0.3
166.06235	3.0
166.07762	1.5
166.09328	0.3
167.03419	0.5
167.06998	0.7
171.06563	0.5
176.02371	0.4
177.61388	0.4
181.05165	6.2
181.08589	100.0
181.12068	9.5
182.07994	0.5
182.08949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03928	1.4
55.01874	1.8
56.96550	0.5
71.04996	0.4
71.32339	0.7
71.85671	0.3
77.16592	0.3
79.05491	8.7
79.83082	0.3
91.05475	3.0
92.06258	0.5
95.04964	3.3
98.97569	2.5
102.04633	0.4
103.05465	13.1
105.03361	0.4
105.04518	0.7
105.07027	25.7
106.07326	0.4
107.04973	1.0
107.08579	0.7
109.06487	0.5
112.46276	0.3
115.05441	1.2
116.98618	2.7
120.05698	2.0
123.08079	0.6
131.04933	2.8
133.06490	2.6
134.99658	2.2
135.04375	1.8
135.08067	2.1
147.04425	0.4
148.05177	1.8
153.00647	0.6
163.07535	100.0
164.07877	2.0
181.08611	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03948	1.5
55.01866	1.3
55.05518	0.3
56.96564	1.3
57.33519	0.2
65.03946	0.2
67.05497	0.4
70.20879	0.5
71.04979	0.4
77.03929	0.6
79.05489	9.5
80.05853	0.2
81.03417	0.2
81.07037	0.3
83.04992	0.3
83.08601	0.2
83.44943	0.2
91.05473	4.3
92.06257	0.6
93.07028	0.7
95.04958	3.7
95.08574	0.5
97.06525	0.2
98.97578	3.8
102.04697	0.3
103.05458	13.4
105.03388	0.5
105.07023	25.7
106.07351	0.6
107.04948	0.8
107.08597	0.6
109.06495	0.5
115.05452	1.6
116.98613	4.8
117.07028	0.4
119.04940	0.3
120.05726	2.0
121.06495	0.6
121.10149	0.5
123.08043	0.9
125.05991	0.2
131.04915	3.6
133.06477	2.8
134.99646	3.1
135.04414	1.8
135.08040	2.3
135.11652	0.5
140.00172	0.2
145.10126	0.3
147.04369	0.4
148.05174	1.6
153.00661	0.6
160.71368	0.2
163.07529	100.0
164.07870	2.4
181.08600	4.0
181.12282	0.3
182.94215	0.2
203.42122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
51.02378	1.2
53.03946	7.9
53.84104	0.9
55.01871	7.4
55.05506	10.4
56.05044	1.0
56.96568	7.4
57.03421	3.4
57.07072	9.0
57.93676	0.9
59.04984	2.6
65.03934	11.5
66.04701	1.1
67.05502	13.2
68.05014	2.4
68.99785	1.2
69.03428	14.6
69.07060	10.6
70.94031	2.8
71.04986	4.7
71.95220	0.8
75.04486	1.2
77.03931	1.7
78.04706	3.2
79.05490	35.4
81.03413	6.1
81.04523	1.5
81.07052	25.2
82.04198	1.9
83.04978	26.8
83.06081	1.5
83.08604	3.7
85.02892	3.2
85.06535	3.3
86.06055	1.3
89.03905	5.4
90.04674	1.1
91.05474	44.4
92.06303	1.1
93.03394	4.6
93.07037	48.7
94.06548	1.4
94.16560	0.9
94.49824	0.9
95.01345	1.1
95.04966	33.3
95.06042	1.5
95.08600	14.0
97.02878	1.6
97.06528	20.9
97.07575	1.1
97.10168	2.0
98.97584	14.0
99.05610	1.0
103.05466	12.9
105.03438	1.0
105.04495	2.9
105.07031	15.3
106.04166	4.7
107.04943	14.8
107.06094	1.1
107.08591	30.3
108.05733	1.9
108.08112	2.3
109.06509	6.6
109.10154	3.6
110.03611	2.7
111.04436	7.6
111.08067	3.7
112.03971	1.6
115.05402	1.2
116.98615	22.6
116.99436	1.1
117.03383	2.4
117.06992	5.5
119.04929	4.1
119.08594	8.0
120.05749	1.4
121.02848	1.2
121.06506	31.3
121.10139	52.1
122.03655	1.4
122.05999	1.0
122.07175	3.1
123.04423	7.3
123.05522	1.9
123.08047	6.9
123.11690	2.2
125.05991	27.0
125.06940	0.9
125.09642	2.3
126.05512	3.0
130.07784	3.0
131.04890	1.1
133.10085	1.5
134.03667	1.4
134.99652	43.1
135.04422	7.9
135.08064	9.4
135.11684	17.3
136.05203	2.6
136.07573	64.4
136.08521	2.1
137.05971	15.8
137.09598	2.6
138.03088	1.9
138.06728	6.5
139.03941	1.6
139.07521	4.3
139.09691	1.5
139.11169	2.4
140.07066	3.8
140.08167	3.1
143.08540	1.1
145.02847	4.2
145.10107	13.2
148.00713	0.9
148.05190	34.1
149.05984	14.4
151.03891	4.8
151.07523	1.9
152.06221	1.6
153.00713	11.9
153.05476	2.5
153.07048	1.5
153.09103	3.3
153.12706	1.4
154.08621	1.6
158.01248	3.6
162.80260	0.9
163.03903	100.0
163.07524	12.5
163.11174	46.0
163.14803	3.1
164.04234	2.6
164.07054	27.5
164.08366	2.1
164.11606	1.1
165.05508	1.6
165.06972	2.1
166.06255	2.8
166.07703	2.5
167.06985	1.2
171.06583	2.2
181.01387	1.7
181.05032	20.3
181.06586	3.3
181.08594	73.1
181.10217	3.6
181.12144	19.1
181.15865	1.3
182.00851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03930	1.8
54.04702	0.5
55.01869	3.4
55.05492	1.9
56.96549	0.8
57.03418	0.8
57.07056	0.8
59.04988	0.9
59.06100	0.6
59.88395	0.5
64.03140	0.8
65.03922	2.1
67.01846	0.6
67.05493	3.4
69.03415	2.8
69.07040	1.6
69.43532	4.6
71.04972	1.3
77.03906	0.7
78.04702	3.4
79.05070	0.5
79.05492	6.3
80.06280	0.5
81.03400	1.8
81.07055	3.2
83.04962	4.1
85.02889	1.0
89.03900	2.9
90.04694	2.6
91.05473	12.9
92.06238	1.3
93.03403	0.8
93.07040	6.8
95.04968	7.3
95.06003	0.6
95.08592	4.1
97.02868	0.8
97.06516	2.3
97.10158	0.8
98.21458	0.9
98.97572	2.6
103.05445	0.6
105.03383	1.4
105.04483	0.8
105.06999	2.1
106.04134	1.9
107.04945	6.4
107.08575	3.2
108.02174	0.6
108.05729	1.3
108.08004	0.6
109.06498	4.1
109.07619	0.5
109.10150	0.9
110.07251	0.6
111.04413	1.0
111.08103	1.1
116.98611	2.5
117.07025	0.8
118.04181	1.0
119.04985	0.6
119.08550	1.0
120.05697	1.1
121.02888	1.0
121.06499	4.4
121.09312	0.9
121.10132	10.3
122.03648	1.7
122.07178	0.8
123.03590	0.7
123.04413	6.0
123.08053	1.6
123.11655	0.9
125.05998	2.4
125.09620	0.6
133.02797	0.6
134.99634	2.5
135.04416	2.0
135.08063	1.6
135.11667	2.5
136.05154	1.9
136.07585	1.0
137.05960	17.0
137.09586	1.1
138.03191	0.8
138.06755	6.3
139.11139	3.3
145.10086	1.7
148.05179	53.7
149.06009	2.4
150.05212	0.6
151.03900	7.6
151.07509	0.5
153.00674	0.5
153.05426	0.9
153.09120	0.8
163.03900	2.3
163.07532	1.4
163.11157	3.7
164.07065	0.5
165.05513	2.2
166.06227	2.1
181.05324	2.2
181.08577	100.0
181.15831	1.2
182.08902	2.0
182.11810	0.6
187.23515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
50.01585	0.1
50.03408	0.1
51.02378	0.2
53.03942	1.2
55.01871	1.4
56.96573	0.2
57.63725	0.1
57.83755	0.1
63.02371	0.1
65.03934	0.4
66.04708	0.2
67.05479	0.3
69.03423	0.2
69.36536	0.1
70.31110	0.1
70.31438	0.5
71.04975	0.4
75.85375	0.1
77.03935	0.4
78.04672	0.1
79.05488	10.6
80.05800	0.2
81.03403	0.4
81.07039	0.2
83.04973	0.3
90.04688	0.1
91.05475	4.3
92.06254	0.7
93.07034	0.6
95.04961	4.0
95.08586	0.1
98.97578	0.6
102.04662	0.5
103.05459	15.2
104.06281	0.3
105.03443	0.6
105.04562	0.7
105.07023	27.4
106.04140	0.2
106.07366	0.5
107.04943	1.0
107.08598	0.6
109.06464	0.8
111.08062	0.2
115.05442	1.8
116.98603	0.8
117.07011	0.4
119.04950	0.5
120.05723	2.2
121.06544	0.7
121.10141	0.4
123.08066	0.6
125.05970	0.2
131.04924	3.8
133.06485	3.2
133.07436	0.1
134.99652	0.8
135.04388	2.1
135.07101	0.2
135.08041	2.3
135.11633	0.1
138.06815	0.1
144.98599	0.1
145.10199	0.2
147.04376	0.3
148.05165	1.6
149.06023	0.2
163.07527	100.0
164.07886	2.4
181.04997	0.3
181.08582	4.1
181.12193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.20056	0.4
53.03940	1.5
55.01861	2.0
55.05501	2.1
56.96563	1.5
57.03432	1.0
57.07074	0.8
58.06599	0.6
59.06120	0.8
63.02369	0.6
65.03937	3.2
67.05521	2.3
68.05015	2.1
68.99790	0.5
69.03427	1.3
69.07058	2.0
70.06592	0.7
71.04051	0.9
71.04971	0.6
79.05070	0.5
79.05493	8.1
80.04977	0.8
81.03392	1.2
81.04540	1.1
81.07074	3.1
83.04979	2.0
83.06093	1.3
83.08604	0.6
84.71859	0.4
85.02911	0.9
85.06547	0.6
85.07636	0.5
88.07722	0.4
89.03917	23.5
91.05479	10.8
93.03407	1.0
93.07048	8.1
95.04967	11.4
95.06071	1.4
95.08591	1.7
96.04494	0.7
96.06820	0.5
97.02887	1.2
97.06541	2.3
97.07639	1.1
98.07140	0.8
98.97575	2.0
99.05583	1.0
103.05487	3.3
105.04512	0.5
105.07025	1.4
107.04954	10.0
107.08593	3.9
108.08163	0.5
109.06510	1.3
109.07644	1.4
109.10133	0.9
110.07175	0.8
111.04464	4.6
111.08048	1.3
114.06631	0.8
116.98623	2.9
117.03384	23.3
117.06988	0.6
119.04925	1.7
119.08590	0.9
121.02905	0.6
121.06506	7.2
121.10152	4.0
121.80135	0.5
122.06060	0.4
122.07124	1.5
122.09612	0.6
123.04408	1.3
123.05556	0.6
123.08051	2.4
124.08707	1.5
125.05971	1.8
125.29572	0.4
131.04889	0.6
134.99657	4.1
135.04416	52.6
135.08064	3.6
135.11693	2.1
136.04779	1.6
136.07570	1.4
136.08643	0.8
137.05965	3.7
137.07002	0.9
138.06729	1.0
139.03906	3.8
139.07539	0.9
139.11147	0.5
140.08229	1.1
145.02847	28.0
145.10117	1.1
146.03221	0.6
148.05107	0.5
149.05965	2.4
151.03920	0.6
151.07504	0.8
152.06120	0.6
153.00706	1.1
153.05595	0.7
153.06972	0.7
154.09772	0.6
163.03906	100.0
163.07509	2.5
163.11160	3.0
164.04222	3.3
164.07051	1.0
164.08278	2.5
164.10681	2.4
166.06308	1.0
181.01273	0.5
181.05128	4.0
181.06496	1.0
181.08617	5.8
181.11044	2.5
181.12169	2.7
181.15851	0.6
182.11798	0.8
186.05594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02379	1.5
53.03949	6.5
55.01873	8.6
55.05512	34.2
56.96303	1.2
56.96568	21.8
57.03421	5.5
57.07066	1.5
65.03943	8.7
67.05505	88.0
68.05840	1.4
69.03437	2.4
69.06727	1.6
69.07067	17.8
71.04977	4.7
71.34898	2.6
71.42153	1.1
77.03925	1.4
79.05495	56.3
80.05834	1.4
81.03412	3.6
81.07058	100.0
82.07387	1.6
83.04976	25.2
83.08615	23.8
85.06525	5.1
91.05483	81.2
93.07047	47.6
95.04973	14.9
95.08605	85.4
96.08963	1.6
97.06533	21.3
97.10164	3.7
99.08099	7.4
103.05470	3.1
105.03387	3.8
105.07034	44.8
107.04947	2.6
107.08591	14.6
109.06550	6.4
109.10156	9.1
111.08081	4.1
113.09646	12.8
115.05499	1.3
117.07032	3.8
118.04162	2.0
119.04948	25.4
119.08578	41.7
121.06523	3.0
121.10140	7.1
123.04422	9.7
123.08082	7.8
123.11696	1.6
127.07494	1.4
133.02863	7.1
133.06503	5.2
133.10126	28.4
135.04433	3.2
135.11699	8.2
136.05209	2.2
137.05983	7.1
137.09622	3.3
146.03569	2.6
147.04424	10.7
149.05902	1.3
150.06683	1.9
151.03874	3.6
151.07518	3.6
151.11104	2.6
159.11723	1.3
161.05989	5.8
161.09608	2.5
161.13248	26.4
162.13669	1.4
164.04124	1.5
175.02814	15.6
179.03391	25.0
179.07050	40.3
179.10683	8.6
179.14310	33.7
180.14722	1.3
193.03842	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.31399	1.1
53.03934	3.9
55.01857	5.1
55.05265	1.8
55.05507	18.2
57.03421	3.5
57.07057	5.3
59.05003	8.2
65.03916	2.9
67.05502	32.3
68.05022	2.3
69.03418	8.3
69.04518	1.2
69.07070	15.1
71.04961	2.0
71.08625	4.0
71.77839	1.1
77.03914	1.8
79.05490	17.5
81.03385	1.8
81.07058	25.8
83.04975	21.1
83.06067	1.7
83.08624	5.4
85.06528	4.8
90.37615	1.1
91.05478	41.5
93.07041	34.0
94.07364	1.8
95.04966	24.8
95.06039	2.5
95.08602	65.1
97.06509	2.5
97.10171	3.4
98.21499	2.9
103.05455	4.2
105.03385	3.2
105.04514	1.3
105.07028	64.2
106.07344	1.8
107.04945	3.1
107.08591	58.0
108.05722	2.5
108.08927	2.8
109.06516	23.6
109.10152	33.9
110.07167	1.3
111.04435	1.3
111.08029	2.7
114.11858	1.2
115.05440	3.8
117.07034	5.8
119.04949	15.5
119.05847	1.7
119.08573	31.7
121.06510	9.5
121.10131	13.3
122.07251	1.7
123.04428	13.5
123.07184	2.5
123.08060	36.3
123.11703	8.2
124.08799	1.6
131.08574	6.0
133.02832	5.3
133.06477	4.7
133.10126	100.0
134.10457	2.3
135.04430	2.5
135.08044	3.1
135.11690	8.7
136.05132	1.3
136.08781	2.0
137.05939	7.9
137.08322	2.7
137.09598	16.7
137.13254	4.7
138.06500	1.2
143.08553	2.9
146.07225	5.5
147.04410	10.8
151.03906	3.2
151.07555	3.2
151.11140	8.1
151.14806	13.9
152.08188	1.9
153.35382	1.1
161.05949	4.0
161.09596	27.5
161.13264	13.8
179.03416	16.9
179.07002	5.1
179.10669	84.0
179.14273	41.0
180.11108	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.01574	1.1
53.03933	2.8
55.01869	10.7
55.05508	10.5
56.40832	1.3
56.96569	11.5
57.03434	8.7
57.07058	3.6
65.03936	3.9
67.05505	46.0
69.03419	4.0
69.07066	11.2
69.45899	1.3
71.04971	5.1
71.57787	1.2
71.58155	1.3
75.80845	1.4
77.03902	1.3
79.05491	37.9
81.03406	4.9
81.07053	100.0
82.07375	3.0
83.04974	9.4
83.08607	3.0
85.06537	10.3
89.03905	2.5
91.05476	57.5
92.05806	1.3
93.07042	43.3
93.07629	2.4
94.06548	2.1
94.07354	1.7
95.04970	15.4
95.08604	73.2
97.06528	15.7
99.08089	9.4
103.05449	2.8
105.03377	3.2
105.07024	54.8
107.04954	3.6
107.08596	20.5
108.05688	1.3
109.06510	11.6
109.10162	8.9
111.08091	5.1
115.05425	2.1
117.07021	3.8
118.04108	1.7
119.04935	24.1
119.08581	58.3
120.08875	1.6
121.06506	3.5
121.10113	16.7
123.04433	16.6
123.08067	12.8
123.11715	3.1
124.04701	1.4
128.04820	1.2
131.08543	1.5
133.02861	14.3
133.06491	8.0
133.10127	37.1
135.04379	3.6
135.08018	1.6
135.11685	28.8
136.05205	2.9
136.08865	1.5
136.12019	1.5
137.05954	4.0
137.08192	1.4
137.09604	7.7
137.13219	2.6
146.03604	3.5
147.04417	23.5
149.07919	1.8
151.03906	6.1
151.07552	4.2
151.11154	4.5
152.07033	2.5
156.06210	1.9
161.02341	2.6
161.05951	11.4
161.09586	4.5
161.13249	71.6
162.09181	1.2
162.13615	2.7
163.07394	1.6
175.02710	3.0
179.03391	43.8
179.06958	19.6
179.08803	3.0
179.10619	13.6
179.14307	65.6
180.03815	2.1
180.08145	1.4
180.10132	1.9
180.14670	2.3
193.03825	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.5
53.03949	6.5
55.01873	8.6
55.05512	34.2
56.96303	1.2
56.96568	21.8
57.03421	5.5
57.07066	1.5
65.03943	8.7
67.05505	88.0
68.05840	1.4
69.03437	2.4
69.06727	1.6
69.07067	17.8
71.04977	4.7
71.34898	2.6
71.42153	1.1
77.03925	1.4
79.05495	56.3
80.05834	1.4
81.03412	3.6
81.07058	100.0
82.07387	1.6
83.04976	25.2
83.08615	23.8
85.06525	5.1
91.05483	81.2
93.07047	47.6
95.04973	14.9
95.08605	85.4
96.08963	1.6
97.06533	21.3
97.10164	3.7
99.08099	7.4
103.05470	3.1
105.03387	3.8
105.07034	44.8
107.04947	2.6
107.08591	14.6
109.06550	6.4
109.10156	9.1
111.08081	4.1
113.09646	12.8
115.05499	1.3
117.07032	3.8
118.04162	2.0
119.04948	25.4
119.08578	41.7
121.06523	3.0
121.10140	7.1
123.04422	9.7
123.08082	7.8
123.11696	1.6
127.07494	1.4
133.02863	7.1
133.06503	5.2
133.10126	28.4
135.04433	3.2
135.11699	8.2
136.05209	2.2
137.05983	7.1
137.09622	3.3
146.03569	2.6
147.04424	10.7
149.05902	1.3
150.06683	1.9
151.03874	3.6
151.07518	3.6
151.11104	2.6
159.11723	1.3
161.05989	5.8
161.09608	2.5
161.13248	26.4
162.13669	1.4
164.04124	1.5
175.02814	15.6
179.03391	25.0
179.07050	40.3
179.10683	8.6
179.14310	33.7
180.14722	1.3
193.03842	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	4.9
55.01871	11.5
55.05508	28.8
56.96554	3.9
57.03420	3.8
57.07053	1.4
59.05002	1.4
65.03934	5.4
67.05502	100.0
68.05819	3.0
69.03416	2.1
69.07062	14.8
69.67236	7.4
69.80909	1.1
71.04974	3.3
79.05487	65.2
80.05798	1.1
81.03410	25.0
81.07052	94.1
83.04975	29.3
83.08608	13.9
85.06531	2.3
85.63338	1.1
87.91163	1.2
91.05476	65.4
93.07038	43.4
95.04963	18.7
95.08601	64.9
96.08960	1.8
97.06528	30.2
97.10152	2.7
99.08082	1.4
103.05442	1.6
105.03367	1.9
105.04517	1.3
105.07023	33.0
106.06570	1.1
107.04961	2.2
107.08586	12.7
109.02847	1.3
109.06510	8.9
109.10149	13.2
111.08096	7.3
113.09638	7.0
117.06999	3.2
119.04938	8.0
119.08575	29.5
121.10168	6.7
123.04423	8.7
123.08067	6.8
131.08591	1.5
133.02856	5.0
133.06491	3.5
133.10124	20.6
135.04361	2.5
135.11694	6.8
137.05951	2.3
137.09622	3.2
146.03670	1.7
147.04416	9.1
151.03889	3.1
151.11243	1.6
159.11647	1.6
161.05925	5.9
161.13254	12.5
164.59015	1.2
179.03378	23.5
179.07034	6.4
179.08350	1.4
179.10701	7.8
179.12735	1.8
179.14314	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.76616	0.7
51.19565	0.7
52.68929	0.7
53.03950	2.2
55.01864	3.9
55.05512	6.2
56.05030	1.1
56.34067	0.7
58.99578	0.7
59.05005	4.3
63.35984	0.7
65.03940	1.7
67.05505	8.9
68.05048	1.1
68.99813	0.8
69.03434	2.5
69.07059	4.3
71.04984	1.6
71.09066	1.9
76.02233	1.2
79.05492	10.0
81.03416	0.9
81.04534	1.3
81.07050	11.0
83.04986	3.1
89.03914	1.1
91.05475	34.1
92.05818	1.4
93.07040	27.0
95.04957	9.8
95.06087	2.1
95.08595	10.2
97.06522	1.2
99.85742	0.7
103.05473	1.5
105.03376	1.9
105.07024	52.5
106.07373	1.1
107.04966	3.0
107.08586	48.9
108.05721	0.8
108.08920	2.1
109.02869	1.3
109.06499	7.5
109.10148	7.3
111.04410	0.9
114.38929	0.8
115.05441	2.6
117.07012	2.6
117.43661	0.7
118.07810	1.1
119.04966	8.6
119.08571	14.3
119.09359	1.1
120.05582	0.8
121.06501	8.6
121.10139	3.3
123.04435	10.0
123.08043	6.3
123.11693	3.9
128.06230	1.1
131.08583	5.6
133.02855	3.7
133.06490	5.9
133.10123	100.0
134.06003	1.0
134.10439	3.3
135.08067	2.2
135.11676	5.5
136.05139	1.0
136.08778	1.4
137.05974	8.3
137.08241	3.5
137.09599	9.4
138.06602	1.3
143.08557	3.1
146.07268	3.3
147.04399	8.1
151.03902	2.8
151.07532	1.6
151.11174	4.8
151.14891	1.1
152.08160	0.8
161.05960	2.5
161.09604	29.5
161.13206	2.4
162.06523	1.0
162.10127	1.4
179.03403	12.2
179.07283	3.9
179.10657	86.5
179.14041	4.4
180.10997	2.3
182.62376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
53.03947	1.1
55.01874	3.4
56.96563	0.9
62.40834	0.6
65.03944	6.0
67.05499	1.8
69.47845	2.2
69.48275	3.0
69.69305	0.6
79.05505	4.0
81.03422	1.2
81.07014	0.8
88.05360	0.6
91.05482	81.7
92.05788	1.6
92.06296	0.9
93.07034	3.0
94.27251	0.6
95.04977	3.4
95.08604	1.2
103.05470	2.2
105.03378	1.4
105.07030	3.2
107.04986	1.9
108.05731	3.3
109.06532	2.2
118.04179	1.5
119.04941	65.0
119.08542	0.7
120.05753	0.9
121.06496	9.4
121.59742	0.6
122.07298	1.8
123.04497	0.9
123.08086	5.2
132.05734	1.9
133.06500	1.5
135.04414	4.0
136.05177	1.4
137.05983	7.5
146.03625	1.5
147.04407	7.1
149.05977	2.4
150.06752	2.4
151.03888	0.7
151.07530	8.5
161.06003	2.0
175.81389	0.6
179.03717	3.1
179.07033	100.0
180.07474	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
51.02376	0.5
53.03926	1.8
55.01627	0.5
55.01870	6.1
55.05497	1.6
56.96566	2.2
57.03431	0.5
59.04995	0.7
65.03934	6.3
66.67841	0.4
67.05505	4.9
69.03412	0.7
69.07056	0.7
71.37322	0.6
71.37650	0.5
77.03926	1.0
79.05491	7.2
81.03398	1.4
81.07056	4.4
83.04971	1.1
83.08598	0.7
85.02897	0.7
87.04459	0.5
89.03880	0.5
90.04700	0.6
91.05477	84.3
92.05814	1.8
92.06303	0.8
93.07048	7.3
95.04974	7.0
95.08599	3.7
97.06518	0.9
103.05460	3.2
105.03381	3.0
105.04492	1.0
105.07027	9.7
107.04954	2.5
107.08611	1.6
108.04487	0.6
108.05744	3.9
109.02925	0.7
109.06529	4.4
109.10139	1.2
115.05470	1.4
118.04153	2.4
119.04938	61.2
119.08558	2.8
120.05220	1.2
121.06509	11.0
121.10135	0.6
122.07285	1.9
123.04432	5.2
123.08064	5.8
129.21243	0.6
132.05704	1.2
133.02849	4.8
133.06479	4.6
133.10109	3.1
135.04411	4.0
136.05211	2.6
137.05972	13.7
137.09648	0.8
146.03589	2.9
147.04404	11.8
149.05989	1.9
150.06757	2.5
151.03893	2.4
151.07530	9.7
151.08636	0.6
161.05965	5.1
161.09654	1.3
161.13330	1.6
163.03780	0.6
179.03467	16.0
179.07033	100.0
179.10693	3.9
179.14331	2.0
180.07454	3.2
184.48151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
51.09438	0.2
53.03958	1.3
53.78985	0.4
55.01870	4.7
55.05514	1.5
56.96562	1.6
57.03432	0.6
57.07074	0.5
59.04984	0.6
65.03938	6.6
67.05495	3.0
68.99787	0.4
69.03426	0.5
69.07071	1.1
69.30106	1.9
69.30527	0.9
77.03914	0.5
78.04707	0.6
79.05488	5.6
80.06274	0.5
81.03421	1.0
81.07056	4.4
83.04982	0.8
83.08606	0.8
85.02924	0.4
87.04470	0.6
89.03903	0.4
90.04722	0.4
91.05476	84.8
92.05811	1.5
92.06151	0.3
92.06307	0.6
93.07040	5.0
94.04201	0.5
95.04973	4.7
95.08604	3.7
97.06535	0.9
98.21458	0.5
98.28456	0.3
99.22944	0.3
103.05460	3.2
104.06255	0.6
105.03384	1.7
105.04509	0.7
105.07032	7.7
107.04943	2.5
107.08559	1.3
108.05732	4.5
109.02853	0.3
109.06519	4.1
109.10133	0.8
111.08004	0.4
115.05460	0.9
117.06966	0.5
118.04134	1.7
119.04937	62.5
119.08575	2.6
120.05285	0.9
120.05794	0.4
120.08060	0.3
121.06498	11.0
121.10152	0.7
122.07335	1.5
123.04429	3.8
123.08063	5.6
131.08569	0.3
132.05713	1.8
133.02844	2.4
133.06483	3.7
133.10112	3.4
135.04404	3.1
135.08070	0.4
135.11681	0.5
136.05223	2.5
137.05969	13.6
137.09610	0.6
138.06351	0.3
146.03609	2.0
147.04402	8.9
149.05972	2.4
150.06769	1.7
151.03908	1.2
151.07535	10.0
151.11153	0.7
161.05983	3.8
161.09642	1.1
161.13271	1.2
164.04066	0.4
179.03525	9.3
179.07027	100.0
179.14252	1.9
180.03880	0.3
180.07391	3.4
191.10661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02385	0.8
53.03944	0.8
54.03474	0.3
55.01870	2.6
55.05509	0.3
56.05025	1.0
56.96556	2.4
57.03430	0.6
57.07074	0.6
58.06551	0.3
58.99585	1.3
59.05008	0.4
60.04530	0.3
65.03937	3.3
65.61382	0.2
67.05502	3.5
68.05017	2.1
68.99791	0.7
69.03423	1.2
69.04560	0.7
69.07066	0.5
70.06592	1.3
71.01344	0.3
71.09214	0.6
71.09548	0.6
72.93807	0.3
73.02905	0.7
76.02233	3.7
77.03925	1.2
79.05494	4.1
80.05013	0.8
81.03403	1.3
81.04530	0.6
81.07048	1.9
83.04981	0.7
83.06107	1.1
84.04520	0.4
84.08134	3.2
85.02909	0.7
85.06548	0.3
86.09725	0.6
89.03909	1.6
91.05477	41.1
92.04999	0.5
92.05806	0.9
93.04531	0.5
93.07056	1.1
94.04192	0.4
94.06563	0.4
95.04980	4.7
95.06085	3.5
95.08609	1.4
96.04482	0.6
96.05675	0.5
97.02898	0.9
97.06487	0.5
98.97559	0.7
103.05460	0.8
105.03391	4.7
105.04487	0.4
105.07030	5.5
106.02864	0.3
106.06552	0.9
107.04956	1.7
107.06100	0.4
107.08595	0.9
108.04492	1.0
108.05659	0.8
109.02868	0.6
109.06530	1.3
109.07628	0.4
109.10159	0.6
110.06023	0.5
110.07165	0.7
111.05572	0.4
115.05444	0.7
116.01682	1.3
116.98617	0.7
117.03391	0.6
117.05749	1.0
118.04178	0.8
119.04936	85.6
119.08597	1.1
120.05327	1.8
121.02890	0.6
121.03973	0.3
121.06525	1.4
121.10140	0.4
122.03667	0.5
122.07191	0.6
123.04425	19.6
123.08067	1.6
123.11726	0.4
124.04987	0.2
128.02325	0.3
128.06155	0.4
128.98589	0.3
130.06514	2.0
131.01947	0.4
131.05000	0.3
131.08528	0.5
132.08076	3.1
133.02850	14.4
133.06483	2.6
133.07439	0.5
133.10115	2.7
134.03221	0.3
134.06018	0.7
134.07117	0.8
134.99663	0.7
135.04427	3.0
135.08095	0.4
136.02197	0.4
136.04060	0.4
136.05197	2.0
136.07622	0.5
136.08791	0.7
137.02338	1.0
137.05977	8.3
137.07130	0.5
137.08217	3.9
137.09575	0.5
138.02679	0.8
138.05521	0.6
138.06544	0.5
139.07481	0.4
146.03630	0.9
147.04402	100.0
148.04692	2.2
148.07570	0.5
150.06747	0.4
151.03905	6.0
151.07541	3.0
151.09518	0.5
151.11205	1.1
152.07039	1.2
152.08171	0.9
161.02373	0.9
161.05980	2.9
161.07054	0.5
161.08313	0.4
161.09642	1.1
161.13264	0.4
162.06651	0.6
162.09012	0.4
162.10332	0.3
163.03926	0.4
163.07561	0.7
164.04732	1.9
165.05508	0.8
165.09138	0.3
174.00726	1.1
179.03392	35.4
179.06995	13.6
179.09317	1.3
179.10663	2.2
179.11847	0.8
179.14307	0.5
180.03833	1.4
180.06464	0.5
188.07095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02377	0.5
53.03944	0.8
55.01870	0.8
59.24717	0.3
67.05502	2.1
68.05025	0.5
68.99784	0.5
70.67430	1.0
77.03924	2.6
79.05489	1.0
81.03413	0.9
81.07060	0.7
89.03920	3.1
91.05471	1.0
93.07021	0.4
95.04977	3.6
95.06094	0.7
95.08624	0.5
105.03390	6.8
105.07011	1.0
107.04948	1.0
109.02895	0.9
109.10191	0.4
110.44138	0.3
117.03356	1.8
119.04919	0.8
119.08565	0.5
120.05642	0.4
120.27171	0.4
123.04426	55.0
124.04772	1.0
133.02853	39.8
133.10141	0.7
134.03168	0.6
135.04411	6.0
135.11830	0.4
137.08206	1.5
147.04388	1.1
151.03900	11.4
161.02351	0.9
161.05972	0.7
161.09682	0.4
179.03391	100.0
179.14308	1.0
180.03757	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
51.11687	0.2
53.03936	0.4
55.01881	0.2
60.71164	0.2
61.92270	0.2
63.02397	0.3
65.03905	0.3
67.05508	1.1
68.99789	0.3
69.87812	1.6
77.03915	1.5
79.05507	0.7
81.04562	0.2
81.08356	0.2
81.47080	0.3
89.03918	2.1
91.05495	0.9
95.04972	2.6
95.06097	0.3
95.08600	0.2
105.03392	4.8
105.07051	0.8
107.04934	0.7
109.02891	0.6
117.03374	1.5
119.04955	0.7
123.04428	46.4
124.04770	0.6
133.02855	33.4
133.10136	0.4
134.03171	0.5
135.04414	5.9
137.08275	0.7
147.04469	0.8
151.03908	10.7
160.94102	0.3
161.02353	0.6
161.05994	0.5
165.16206	0.2
173.47412	0.2
175.03517	0.2
179.03395	100.0
180.03749	2.1
188.81291	0.2
191.64627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
51.02400	0.4
53.03949	1.7
53.23831	0.3
54.03466	0.4
54.72867	0.3
55.01868	2.9
55.05501	0.9
56.05031	1.2
56.78828	0.3
56.96564	0.7
57.03423	0.5
57.07073	0.3
58.99586	0.4
59.04986	0.5
59.06124	0.4
65.03934	1.4
67.01846	1.1
67.02988	0.3
67.05502	4.7
68.05016	1.5
68.37339	0.3
68.99785	3.4
69.03418	1.2
69.04520	0.5
69.07050	0.6
69.92570	2.0
76.02187	0.9
76.66460	0.3
77.03914	1.6
79.05494	5.0
80.05030	0.3
81.03406	1.1
81.04546	1.1
81.07047	3.1
83.04961	1.1
83.06123	1.8
84.35513	0.4
85.02856	0.5
87.04442	0.4
89.03922	1.8
89.06041	0.6
89.61269	0.3
91.05480	8.4
93.07053	2.2
95.04967	9.1
95.06069	3.0
95.08603	2.7
96.04460	0.5
97.02872	0.7
97.07643	0.7
103.05531	0.4
104.94345	0.3
105.03392	3.6
105.04500	0.7
105.07022	6.6
107.04959	8.0
107.08590	1.6
108.04477	0.6
108.05660	1.0
109.02861	0.6
109.06506	2.1
109.10138	1.2
110.07198	0.7
111.04437	1.0
111.05590	0.3
115.05466	0.7
117.03365	1.1
117.06997	0.6
118.86273	0.4
119.04947	5.8
119.08561	4.8
120.05582	1.1
120.08133	0.7
121.02917	0.4
121.06513	1.7
121.07504	0.3
121.10131	1.4
122.07201	0.8
123.04427	29.9
123.08064	2.5
131.08531	0.4
133.01840	0.7
133.02844	11.8
133.06485	2.5
133.10121	4.8
134.03624	0.4
134.07129	0.9
135.04422	14.8
135.08070	0.6
135.09044	0.4
135.11638	0.5
136.05156	1.2
137.02318	0.8
137.05965	2.0
137.08231	5.1
137.09508	1.7
138.06607	0.8
139.07423	0.5
146.03621	0.7
146.07336	0.5
147.04417	7.4
147.29552	0.4
149.06001	0.4
151.03918	5.0
151.07503	2.7
151.11134	1.2
152.08174	1.0
155.03423	0.5
161.02348	2.3
161.05998	3.2
161.08298	0.6
161.09593	2.0
161.13271	1.3
162.06602	1.1
163.07542	0.8
174.00772	0.5
179.03389	100.0
179.06763	3.8
179.09283	1.9
179.10686	3.9
179.12938	0.7
179.14270	2.3
180.03790	1.8
180.06531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	5,7-Dihydroxychromone
Peak:m/z	Relative Intensity
51.02368	1.0
53.00295	0.7
53.03953	3.2
55.01870	6.6
55.05504	1.2
56.96555	1.3
57.03419	2.3
65.03919	1.7
67.05182	0.6
67.05507	8.1
68.99781	0.9
69.03399	1.0
69.07063	1.2
69.84609	3.1
70.75593	0.5
77.03924	3.9
79.05492	8.6
81.03414	3.0
81.06606	0.6
81.07043	4.0
83.01324	1.9
83.04993	0.9
85.02907	7.5
91.05482	9.6
93.03400	0.6
93.07021	1.7
95.01333	7.8
95.04964	15.1
95.08603	2.6
97.06514	0.6
97.90109	0.5
103.05467	0.5
105.03390	34.7
105.07026	4.3
107.04953	3.5
107.08576	1.1
109.02880	6.3
109.06518	1.4
109.10165	1.2
111.04411	0.6
112.07575	0.6
118.06345	0.6
119.04944	6.5
119.08577	2.7
120.68951	0.5
121.06517	1.3
122.03632	0.9
123.00821	0.8
123.04427	24.4
123.08089	1.1
133.02849	15.0
133.06474	1.4
133.10136	2.9
135.04378	0.9
136.05209	0.7
137.05952	1.1
137.09569	0.9
138.06746	0.5
141.01828	2.2
147.04413	3.9
149.02336	0.6
150.03113	2.2
151.03899	22.8
151.07524	1.4
151.11145	0.6
161.02342	5.9
161.05992	3.0
161.09674	0.8
161.13280	1.5
167.03436	1.2
179.03394	100.0
179.10567	2.4
179.14264	2.1
180.03740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
51.02383	0.6
53.03943	1.0
55.01875	1.9
55.05505	0.8
55.64535	0.4
56.05026	1.2
56.32505	0.6
56.96556	5.1
57.07095	0.7
64.25030	0.5
65.03936	0.9
67.05505	2.6
68.05019	1.9
68.77040	0.5
69.03423	1.1
69.04572	0.7
70.06598	0.8
71.57095	0.9
73.02915	0.5
77.03931	0.9
77.25300	0.4
79.05482	3.4
80.05002	0.7
81.03423	1.2
81.04530	1.1
81.07066	1.4
82.05302	0.6
82.06573	0.5
83.06101	1.5
84.04494	0.6
85.02892	0.6
85.38129	0.5
88.02200	1.0
89.03931	1.2
91.05466	4.7
92.23660	0.6
93.07033	1.4
94.06574	1.1
95.04945	2.9
95.06081	2.7
95.08596	1.4
96.04491	1.0
97.02882	0.8
98.97602	0.6
98.98466	1.2
99.77053	0.5
103.05482	0.6
104.05004	0.6
105.03365	2.9
105.07023	4.0
106.06530	0.9
106.07282	0.6
107.04948	1.8
107.06062	1.2
107.08596	2.1
108.04491	0.6
108.05634	0.7
109.02895	0.7
109.06519	1.0
109.10165	0.8
110.06030	0.6
110.07166	1.8
111.05532	0.9
115.05479	1.2
116.98553	0.6
117.03383	0.7
117.07021	1.2
118.06546	11.6
118.96760	1.4
119.04936	2.8
119.07320	11.6
119.08193	0.7
119.08567	1.1
120.05616	0.9
120.07558	0.5
121.02887	0.7
121.06480	1.5
121.10199	0.6
122.06003	1.1
122.07143	0.8
123.04425	12.1
123.05351	0.9
123.08092	1.0
132.04456	1.0
132.08072	1.7
133.02863	9.7
133.06474	2.2
133.07500	0.8
133.10085	2.7
134.09645	72.0
135.04405	2.1
135.09972	1.6
136.02087	0.8
136.07538	1.0
137.02325	1.7
137.05981	1.0
137.08206	7.2
137.09303	0.8
138.06606	0.7
138.09065	0.8
146.03560	1.2
147.04399	3.8
150.03017	1.1
150.05481	1.4
150.09152	0.7
151.03925	3.6
151.07547	1.2
151.09767	1.7
151.11060	0.5
152.08211	0.8
154.94188	0.6
154.96487	0.7
160.03926	1.8
160.07582	0.9
160.11191	1.6
161.02295	1.2
161.05968	2.3
161.09575	1.1
162.06583	0.8
162.09138	3.1
163.07484	0.7
163.09843	1.3
172.95372	2.9
174.00667	1.5
178.04964	8.7
178.12254	100.0
179.03386	25.9
179.06961	2.8
179.09209	1.5
179.10683	2.0
179.12613	3.7
179.14119	0.9
185.01157	1.0
190.96548	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.51922	0.9
51.02372	1.1
53.03927	3.0
55.01862	1.4
55.05510	14.7
56.05829	1.0
57.07058	3.0
65.03927	2.2
67.05502	55.5
68.05840	0.9
69.07065	14.0
70.61968	1.1
71.57773	1.3
71.58139	1.5
79.05492	81.1
81.07054	48.9
83.04974	0.9
83.08621	9.8
89.03901	2.4
91.05475	24.8
93.07039	97.6
94.07355	2.5
94.60761	1.1
95.04972	9.7
95.08604	53.7
96.08950	1.6
97.06516	1.9
97.10157	3.0
98.98461	16.6
105.07020	10.7
107.04942	4.4
107.08590	49.7
108.08948	1.7
109.06499	2.6
109.10152	18.3
117.03387	3.0
117.06995	5.2
119.08563	1.9
121.06485	2.6
121.10139	100.0
122.10484	3.5
131.06833	0.9
131.08556	8.5
133.10121	6.2
135.08046	2.8
135.10687	2.1
135.11687	37.2
145.02847	2.4
149.02342	2.4
149.05981	2.6
149.09517	1.2
149.13223	5.0
159.11679	9.5
177.05501	3.9
177.09058	1.6
177.12769	18.0
177.16373	36.8
178.13136	1.3
178.16873	1.2
181.03575	0.9
192.62511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.68843	0.8
53.03933	3.6
55.01866	2.0
55.05509	16.7
57.07060	3.3
59.10091	0.9
60.87335	0.8
65.03931	2.7
67.05502	58.9
69.07070	11.8
70.16863	2.6
79.05491	82.9
80.05782	1.3
81.07053	40.7
82.07388	1.1
83.04970	0.8
83.08624	8.2
89.03902	2.3
91.05478	24.6
93.07040	92.8
94.07388	1.1
95.04975	9.5
95.08603	56.9
96.08990	1.0
97.06525	1.6
97.10162	2.9
98.98463	15.4
103.05470	2.1
105.04501	1.6
105.07031	10.0
107.04962	1.7
107.08591	43.9
109.06522	3.0
109.10151	17.9
111.08087	1.2
116.06257	1.2
117.03360	3.5
117.07037	5.8
117.23287	0.8
119.08571	2.3
121.06483	3.2
121.10139	100.0
122.10448	2.8
129.75085	0.8
131.08591	7.0
132.35181	1.0
133.06544	1.0
133.10149	7.0
135.04343	1.0
135.08029	2.9
135.11687	38.6
136.12022	1.5
145.02850	2.6
149.02333	2.0
149.05977	2.6
149.09592	1.6
149.13222	4.7
159.08040	1.4
159.11691	8.9
177.05460	3.8
177.09079	2.3
177.12738	16.8
177.16380	34.9
178.16713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01851	2.4
55.05267	1.1
55.05510	15.8
56.39302	0.7
56.96552	1.0
57.07051	2.1
65.03926	1.8
67.05503	51.1
68.05824	0.9
69.03423	1.2
69.06725	1.1
69.07068	12.7
69.87540	2.4
69.87942	1.2
77.03909	0.9
78.05602	0.7
78.24711	0.7
79.05490	77.7
79.58681	0.7
80.05787	0.8
81.03414	0.8
81.07053	41.7
83.04977	1.1
83.08614	8.5
88.02201	1.0
89.03907	2.7
91.05478	24.6
93.07041	92.8
94.07362	1.8
95.04970	8.9
95.08602	50.0
96.08928	1.1
97.06526	2.5
97.10165	2.4
98.98466	17.7
105.07020	10.0
107.04928	2.7
107.08591	45.2
108.08922	1.2
108.71436	1.0
109.06530	2.3
109.10151	19.1
111.08039	1.4
116.99480	0.9
117.03377	4.5
117.07000	5.7
119.08569	3.2
121.02888	1.3
121.06488	2.7
121.10137	100.0
122.10477	2.4
123.08022	1.1
123.11658	0.9
131.08554	8.7
133.10143	7.3
134.03654	1.2
135.04436	1.5
135.08058	2.6
135.11687	35.2
136.12010	1.3
145.02771	3.3
149.02357	1.8
149.05971	3.9
149.09618	2.3
149.13223	5.4
159.08058	1.3
159.11687	9.5
160.99139	0.7
177.05405	5.1
177.09138	3.9
177.12764	27.0
177.16371	36.1
178.04959	1.2
178.13138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	4.9
55.01862	6.9
55.05314	1.1
55.05511	10.3
57.03442	1.4
57.07066	3.0
62.96614	1.2
65.03928	2.4
67.05498	6.6
68.99780	1.4
69.03425	32.6
69.07064	14.2
69.79230	7.7
71.04971	2.2
77.54671	1.1
78.04689	4.4
79.05484	20.2
81.03394	5.0
81.07057	17.5
83.04968	8.5
83.08595	3.4
85.06531	1.6
89.03911	17.8
91.05476	35.2
93.07037	89.6
94.07372	1.7
95.04958	12.0
95.08598	15.5
97.06540	3.2
98.98443	9.5
103.05456	5.1
105.07018	24.2
106.04162	12.1
107.04957	6.5
107.08586	100.0
108.08907	1.8
109.06525	7.6
109.10126	4.9
115.05444	1.5
117.03375	23.2
117.07020	8.8
119.07791	1.9
119.08578	18.7
121.06506	14.7
121.10133	56.5
122.10417	1.9
123.08041	1.9
129.07007	4.0
131.04889	2.3
131.08566	13.8
133.06473	1.5
133.10120	25.5
134.03612	6.2
134.07269	1.3
134.10573	1.3
135.04402	2.7
135.08047	32.1
135.10707	2.4
135.11685	37.1
137.09439	1.6
144.09312	11.7
145.02831	26.7
146.03238	1.3
147.08044	3.5
149.02313	1.4
149.05991	17.2
149.09604	3.3
149.13263	18.7
157.10068	2.3
159.04410	1.8
159.11685	38.2
160.11967	1.9
162.03113	3.0
162.06746	1.4
162.10390	2.1
177.05452	15.4
177.09129	11.2
177.12730	54.5
177.16328	6.5
178.13054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02383	0.7
53.03938	4.0
55.01868	6.6
55.05507	8.4
56.96572	3.8
57.03430	3.4
59.84040	0.6
60.95840	1.2
65.03918	2.5
67.05499	28.8
69.03403	1.9
69.07064	9.9
71.58430	1.3
77.03896	1.0
78.04690	1.2
79.05016	0.8
79.05487	43.1
81.03409	5.4
81.07049	45.2
83.04975	4.6
83.08620	5.0
85.06540	1.3
89.03915	5.7
91.05475	48.0
92.05789	1.4
93.07036	59.7
94.07334	1.4
95.04965	15.5
95.08603	14.9
97.06525	10.0
97.10161	1.1
98.98462	14.5
99.08043	1.1
103.05444	2.9
105.07021	29.5
106.04154	2.1
107.04947	7.4
107.08588	31.2
108.08914	1.0
109.06497	8.2
109.10133	2.3
110.03189	0.6
111.08100	5.3
115.05416	2.1
115.75466	0.8
116.06216	1.0
117.03369	7.4
117.07008	24.5
119.04962	1.0
119.08573	8.4
121.06501	10.0
121.10130	23.5
122.10449	1.3
123.08058	2.2
129.06967	1.7
130.07790	1.3
131.04900	1.1
131.08557	34.1
132.08910	1.4
133.06470	1.4
133.09099	1.7
133.10117	34.4
134.03642	2.6
134.10443	1.4
135.04395	2.1
135.08052	12.8
135.11685	13.9
136.08742	1.3
137.05418	0.8
144.09322	2.7
145.02840	7.7
147.07982	0.9
147.11620	1.3
148.08855	0.8
149.02344	1.7
149.05984	6.6
149.09621	6.5
149.13248	15.2
150.13652	0.7
157.10097	1.3
159.08043	0.9
159.11678	43.0
160.12022	2.3
162.03136	1.5
162.06781	1.0
166.08249	1.3
173.04785	0.8
177.04099	0.8
177.05504	9.0
177.09235	6.8
177.12735	100.0
177.16174	5.0
178.13104	4.5
196.21152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03941	0.8
55.05499	1.6
59.78263	0.6
65.03934	0.9
67.05492	1.8
69.03443	3.9
69.07050	2.3
69.75683	4.4
79.05492	5.4
81.07054	3.0
83.01355	4.6
83.08604	0.8
88.59921	0.6
89.03902	2.7
91.05479	11.3
93.07047	9.2
95.04952	2.8
95.08595	2.9
97.02892	2.9
98.98466	12.9
103.05474	1.4
105.07021	5.2
107.04978	5.4
107.08601	6.2
109.06519	8.7
109.10141	1.9
115.05452	1.7
116.06240	2.4
117.03374	3.0
117.07005	1.7
119.08570	1.9
121.06503	83.0
121.10139	8.6
122.06838	1.4
129.07024	0.9
131.04958	0.8
131.08580	14.5
133.06493	1.8
133.10109	1.2
134.07204	0.9
135.04398	1.2
135.08040	2.3
135.11691	1.5
137.05977	3.6
141.06958	3.0
144.05695	3.7
145.02843	2.6
147.04416	2.7
147.08084	0.9
148.05212	0.7
149.02330	1.5
149.05975	3.8
149.09621	36.6
149.13260	1.0
150.09938	0.9
151.57637	0.9
159.04416	0.7
159.08047	16.1
159.11606	1.4
162.06763	10.4
171.01335	0.8
177.05756	3.2
177.09108	100.0
177.12549	5.4
177.16302	3.9
178.09482	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	2.1
54.19837	1.0
55.01870	6.9
55.05310	0.6
55.05513	7.8
56.96560	7.6
57.03434	3.7
57.07074	1.0
65.03926	2.5
66.31642	0.8
67.05502	30.1
67.12524	0.8
69.03423	2.0
69.07069	12.2
69.67647	0.7
70.70918	1.8
71.05003	1.3
78.04702	0.8
79.05488	43.8
80.00826	0.7
80.05819	0.9
80.07276	0.7
81.03413	3.8
81.07053	53.6
82.07397	1.0
83.04978	6.6
83.08607	5.0
85.06514	1.5
86.63300	0.8
88.09907	0.7
89.03921	5.0
91.05478	48.7
92.05782	1.5
93.07039	67.7
94.07362	1.4
95.04970	17.3
95.08054	1.1
95.08606	13.1
96.05296	0.8
97.06528	12.4
98.98463	24.1
99.08095	1.2
100.98879	0.9
103.05463	2.9
105.07027	32.3
106.04137	1.4
107.04944	3.7
107.07861	1.6
107.08588	29.9
108.08864	0.8
109.06509	7.9
109.10143	1.9
111.08083	4.5
115.05445	3.4
116.06217	0.9
116.99476	1.0
117.03375	6.5
117.07012	29.5
119.04942	0.9
119.08582	9.8
121.06515	7.2
121.10139	18.4
123.08041	1.7
124.83839	0.8
129.06989	3.7
130.07773	1.4
131.04889	1.5
131.08560	41.3
132.08878	1.1
133.06483	1.9
133.10123	38.4
134.03625	1.9
134.10475	1.5
135.04427	1.8
135.08049	11.9
135.11688	12.7
144.09311	2.7
145.02850	5.8
149.02345	2.9
149.05989	5.5
149.09604	6.6
149.13255	16.5
157.10095	2.4
159.08070	3.0
159.11679	51.4
160.12021	1.8
172.95319	0.7
175.08884	0.8
177.05472	7.6
177.09317	4.7
177.12741	100.0
177.16087	3.6
178.13063	4.2
184.09390	0.9
188.59605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02378	2.8
53.03946	10.4
53.33599	1.1
55.01873	9.3
55.05497	3.2
56.05023	1.9
56.96558	13.2
57.93587	1.5
58.06580	1.4
59.04985	1.2
59.06116	1.5
60.04505	2.3
61.90407	1.3
63.02384	2.2
63.69313	1.3
65.03935	9.9
67.05488	4.0
68.02687	1.1
68.99779	3.0
69.03408	3.5
69.07053	3.2
70.06567	2.1
71.04962	1.6
71.57137	2.4
72.04499	2.2
75.05586	1.1
77.03876	2.1
78.04715	7.2
79.05494	10.7
80.05007	2.3
81.03415	7.1
81.04514	2.0
81.07036	4.6
82.06561	1.3
83.06075	1.6
83.08624	2.2
84.96032	1.2
87.05574	1.8
88.02187	1.6
89.03912	42.0
91.05478	60.7
92.05817	1.6
93.03420	1.7
93.04491	1.3
93.06481	1.9
93.07040	27.3
94.06559	2.7
95.01347	1.7
95.04961	23.7
95.06032	2.7
95.08595	5.4
97.02875	1.7
98.97577	4.9
98.98465	55.5
100.98817	1.8
102.05524	2.0
103.05463	63.0
105.03384	4.0
105.04488	4.0
105.07034	7.4
106.04174	11.1
107.04307	1.9
107.04958	23.0
107.08600	9.6
109.02884	1.8
109.06460	2.2
109.07643	2.2
109.10156	2.0
110.07129	1.7
111.04445	1.3
115.05420	2.1
116.10711	2.5
116.98599	7.3
116.99491	3.2
117.03379	35.4
117.06995	4.1
118.04170	2.8
118.06541	1.3
118.96872	1.3
119.04947	20.0
119.08589	2.2
120.08046	1.8
121.02851	8.3
121.06500	77.3
121.10129	13.7
122.05998	3.7
122.06847	2.0
123.04427	1.3
124.05186	2.3
131.04927	82.4
131.08531	7.2
132.05296	3.4
132.08047	2.0
133.06471	2.5
133.10072	2.3
133.67374	1.1
134.03625	46.5
134.05888	1.7
134.99660	14.4
135.04430	25.1
135.06662	1.5
135.08012	1.7
135.11658	3.7
137.02333	12.5
137.09502	2.1
144.08096	2.2
145.02829	29.2
146.99629	5.1
147.04411	11.8
148.05159	4.3
149.02342	14.5
149.05978	100.0
149.09616	2.9
149.13219	1.9
149.94525	2.4
150.03131	3.2
150.05411	2.4
150.06476	3.6
150.09123	20.3
151.03925	1.1
152.96947	1.4
153.00662	3.2
159.04402	24.0
159.05623	2.0
159.08006	3.5
159.11615	3.8
159.87732	1.1
160.03868	1.5
160.07489	1.5
161.01132	2.6
162.03119	17.2
163.03891	11.7
172.95221	5.9
177.01826	3.5
177.05447	78.6
177.08905	11.0
177.11406	2.4
177.12700	5.8
177.16379	5.1
178.04840	5.7
178.07191	2.2
178.08612	7.0
178.10863	2.1
179.03419	3.2
186.05531	1.4
187.02759	1.5
190.96246	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23893	1.0
56.05024	1.7
56.96565	10.5
57.93569	2.0
59.06120	2.0
60.95850	1.4
67.05499	1.1
71.04478	0.7
71.13094	2.0
71.13442	1.2
71.95250	1.0
75.94608	1.0
77.00905	2.0
79.05486	1.3
81.07076	1.2
91.05467	1.9
93.07017	1.1
94.20969	0.9
95.01962	1.5
98.97575	14.7
98.98459	13.4
100.02458	1.6
101.00875	1.5
101.64182	0.9
102.96896	1.5
103.00631	1.2
103.02456	1.2
103.05469	1.1
104.02537	3.3
105.02218	1.0
105.07064	1.0
115.02417	1.5
116.00149	0.8
116.01932	8.4
116.97262	8.7
116.98614	30.3
116.99456	2.0
118.03526	6.0
119.01921	24.3
120.02012	7.6
120.04520	1.1
120.08099	1.5
120.08923	2.4
120.97923	2.3
121.01656	14.2
121.02448	1.4
121.03532	1.4
122.03599	2.3
127.00957	1.2
130.06497	1.9
131.01906	4.9
131.02708	0.9
131.99585	2.5
132.05066	1.3
132.96637	1.1
133.03458	3.3
133.10110	1.3
134.02971	100.0
134.04793	10.2
134.99661	55.7
135.03197	5.7
136.02669	1.1
136.04559	4.9
137.02960	16.7
137.39926	1.1
138.03067	5.2
138.98932	4.3
139.02687	8.9
140.00162	1.4
142.03487	2.8
144.03230	1.4
145.03481	1.8
146.99866	1.3
147.03247	1.0
147.04980	1.1
148.07526	1.3
148.96172	1.0
149.03540	1.5
149.05988	1.1
152.02216	5.2
152.03996	25.4
152.05789	8.8
152.96924	3.7
153.00723	15.3
153.04059	2.8
154.03525	2.0
157.04590	7.2
158.01283	4.3
158.03003	3.9
158.04817	2.1
159.05034	1.5
160.04562	2.2
164.04527	1.2
167.04596	1.5
170.03281	2.5
170.98050	1.2
171.01387	35.9
171.04982	6.4
171.06195	0.9
172.01576	1.9
172.04578	2.5
174.97691	1.5
175.98532	3.1
176.02374	2.1
176.04169	16.2
176.05899	18.4
176.10587	2.2
176.14357	1.4
177.00908	3.5
177.04198	2.5
177.05542	1.2
189.02420	18.1
189.06065	1.8
192.98656	4.2
194.03104	3.8
194.05128	5.7
194.06941	8.1
199.05730	1.4
199.07506	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95645	0.7
53.11227	0.7
56.50540	0.7
56.96295	1.0
56.96561	11.1
64.29739	0.8
69.31640	7.3
69.32052	1.1
70.87572	0.7
74.93069	0.9
74.97602	0.8
91.05479	0.8
98.21503	1.7
98.97577	17.1
98.98463	1.9
116.98610	18.7
118.92064	4.4
119.01936	1.1
121.01696	1.1
131.01880	3.3
131.04951	1.0
134.99660	15.4
135.03110	0.8
136.93102	18.1
136.94153	1.0
139.02583	0.8
153.00687	2.7
154.03500	1.2
154.94157	42.9
172.01578	1.1
172.95236	100.0
173.02881	1.0
174.95581	0.9
177.16145	0.9
177.95819	1.0
190.96292	63.3
195.96828	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19729	1.3
56.96577	1.5
60.05648	2.0
67.05533	1.6
69.47615	11.3
70.06582	3.4
71.04992	4.2
71.06944	3.0
78.00134	1.4
81.03400	2.3
88.72266	1.3
90.57224	1.4
94.06571	4.1
95.04989	2.8
95.57681	1.5
97.02889	3.1
98.06062	3.2
98.97616	1.8
107.33614	1.4
112.03907	3.1
112.07588	1.6
114.05569	2.6
116.07084	1.7
116.98617	1.5
119.01920	2.2
122.06004	1.7
123.04465	3.0
130.08614	1.6
130.09799	3.7
132.02116	100.0
133.02428	2.4
140.07057	8.8
150.03160	1.8
158.08153	4.4
175.15244	1.4
176.01089	18.2
176.09192	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02383	0.7
53.03948	1.8
55.01870	2.6
55.05508	8.1
56.96561	2.0
57.03444	0.7
57.07072	0.9
65.03950	2.0
67.05509	4.5
68.99792	2.4
69.03437	3.6
69.07066	16.8
70.06585	0.8
70.83847	1.3
77.03922	0.9
78.04713	0.6
79.05489	12.9
81.03411	1.9
81.07058	15.1
83.08599	3.5
91.05477	47.9
92.05797	1.5
93.07037	8.8
95.01328	1.4
95.04964	4.4
95.08600	8.1
97.02890	0.7
98.98464	43.9
103.05455	3.7
104.06227	2.2
105.03408	0.7
105.07027	46.3
106.07359	1.2
107.04951	10.5
107.08580	8.6
109.06503	1.1
110.03591	0.6
115.05436	6.4
116.06251	1.0
116.99508	2.1
117.07012	12.0
119.04941	3.6
119.08576	100.0
120.08845	3.1
121.06460	1.2
121.10149	2.4
123.04407	1.0
127.05475	0.8
128.06215	16.3
129.07010	15.7
130.06514	0.9
130.07396	0.7
131.04927	4.0
131.08563	9.8
132.05728	8.2
133.06511	5.0
133.10123	91.3
134.03612	5.4
134.10426	3.0
134.49814	0.6
135.07932	0.7
135.11661	0.8
142.07787	4.1
143.05536	1.0
144.05685	0.7
144.09286	0.6
145.06474	4.6
145.10132	8.0
146.07216	0.7
146.10995	1.7
147.04437	7.4
147.08044	19.1
147.11678	16.2
148.08441	1.0
149.05972	4.5
152.05879	0.8
155.06044	2.2
157.06480	4.2
157.10118	5.7
160.05206	8.3
160.12445	2.9
173.13269	2.7
175.07544	70.0
175.11176	14.0
175.14818	65.9
175.18849	2.7
176.07932	4.1
176.11621	0.6
176.15327	3.1
177.50470	0.7
178.92326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
52.39918	0.6
55.01851	0.8
55.05509	10.4
57.07077	0.8
65.03944	0.9
66.42892	0.6
67.05500	3.9
69.07067	22.2
70.53148	0.5
71.12965	0.8
71.13303	1.3
74.37289	0.5
79.05492	7.2
81.03426	1.5
81.07053	15.4
83.08624	4.5
91.05476	37.1
92.05813	1.3
93.07035	7.0
95.04958	2.9
95.08609	9.5
98.98464	10.8
99.57909	0.5
103.05455	1.3
104.06272	0.8
104.37250	0.5
105.07026	39.8
106.07334	1.6
107.04962	1.5
107.08595	8.4
115.05441	3.1
116.06223	4.1
117.07011	6.8
119.04962	1.1
119.08576	100.0
120.08846	2.7
121.06550	0.9
121.10131	3.2
128.06242	2.3
129.06999	9.3
131.04860	0.7
131.08563	31.0
132.05664	1.5
132.08963	1.1
133.06505	2.1
133.10123	98.6
134.10400	3.4
135.11667	1.5
142.07764	2.9
145.06461	1.2
145.10120	8.6
146.10896	1.7
147.04376	0.8
147.08005	3.6
147.11685	16.3
149.79538	0.6
157.06508	3.3
157.10072	3.9
158.10733	0.7
159.11690	1.7
160.05188	3.0
160.08795	1.0
160.12492	5.0
173.13261	2.1
175.07564	7.3
175.11229	9.9
175.14822	82.8
176.15160	3.4
178.49216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05508	9.9
63.23509	1.0
67.05502	2.5
69.07064	27.8
69.83191	6.9
77.16433	1.0
79.05489	3.9
81.07039	8.1
83.08604	6.3
91.05472	13.3
93.07034	5.6
95.08606	6.2
98.20843	2.2
98.98451	8.9
103.05489	1.5
105.07023	31.8
107.08582	6.2
117.07007	4.7
118.07850	1.2
119.08572	100.0
120.08915	3.5
121.10132	4.1
124.00344	1.1
129.51889	1.1
130.06543	2.3
131.08545	6.3
132.04416	1.7
133.10121	82.3
134.10475	3.0
145.10107	8.5
147.11690	14.3
158.06006	2.7
160.08748	1.2
160.12482	4.6
173.13290	2.9
175.07581	1.5
175.14819	84.8
176.15172	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
50.59693	1.1
53.03925	0.9
55.05508	8.0
60.68243	1.0
67.05505	2.5
69.06731	1.6
69.07068	23.6
71.28047	2.0
71.28384	1.1
79.05488	3.8
81.07059	10.0
83.08599	3.7
91.05489	14.7
93.07032	6.9
95.04957	1.2
95.08604	7.5
98.98463	9.9
105.07023	38.6
106.07372	1.2
106.78468	1.1
107.08588	7.2
112.44474	1.1
115.05431	1.3
117.07027	4.3
119.08573	100.0
120.08892	2.5
121.10104	3.0
129.06949	1.2
131.08554	7.8
133.10120	79.8
134.10480	3.3
145.10115	8.6
146.10887	2.7
147.11676	12.7
155.84648	1.1
160.12469	4.5
161.86261	1.0
164.02663	0.9
173.13269	2.7
175.07481	1.7
175.14821	71.3
176.15134	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61234	0.6
53.03948	0.9
55.05508	9.5
57.07056	0.7
67.05490	2.8
69.07060	21.7
69.46370	5.0
69.46769	1.4
79.05503	3.8
81.03396	0.6
81.07044	10.8
83.08611	4.3
85.62794	0.6
91.05473	19.2
93.07037	6.8
95.04949	1.0
95.08604	7.7
98.98463	13.1
103.05470	2.1
105.07022	38.6
106.07331	0.8
107.08597	7.3
112.72675	0.6
115.05464	2.6
117.07000	6.3
118.07803	0.8
119.04935	1.6
119.08573	100.0
120.08920	2.2
120.25799	0.6
121.10155	2.5
128.06221	1.0
129.06978	2.4
130.06546	1.0
131.08557	7.0
132.05693	1.3
132.09355	1.2
133.10118	83.1
134.10471	2.5
142.07758	1.4
145.06471	0.7
145.10120	10.2
146.07271	0.7
146.10878	1.9
147.04427	0.9
147.08049	2.6
147.11674	15.7
157.10112	1.7
159.11678	1.0
160.05202	2.6
160.08803	1.3
160.12473	4.1
173.13242	2.0
175.03917	1.4
175.07507	5.5
175.11331	5.4
175.14812	77.8
176.06947	1.1
176.15189	3.3
194.23529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
50.20681	0.8
55.05509	7.5
55.42154	0.9
57.07069	1.8
66.75438	0.8
67.05481	2.9
69.07066	23.4
70.88837	1.2
70.89178	2.0
79.05478	4.0
81.07058	13.0
81.28788	1.0
83.08614	5.3
89.24872	0.8
91.05474	15.2
91.51193	0.8
93.07043	4.8
95.08604	7.2
98.75221	0.9
98.98460	4.6
103.05460	1.0
105.07027	31.2
107.08600	8.1
115.05447	3.1
116.23171	0.8
117.07023	4.9
119.08578	100.0
120.08872	1.9
121.10156	2.7
129.07004	1.8
131.08565	5.7
132.05711	1.5
132.09334	0.9
133.10126	99.7
134.10483	2.8
145.10121	8.8
146.10861	1.5
147.08066	1.0
147.11687	14.7
159.11732	1.2
160.05162	2.6
160.12463	4.7
173.13272	2.9
175.07516	5.0
175.14821	81.2
176.15144	2.7
178.43530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	0.9
55.05507	9.5
56.96552	1.6
57.07073	1.3
60.05900	0.8
61.13453	0.7
67.05492	2.5
69.03434	1.4
69.07066	25.0
70.06599	1.2
70.79787	0.9
70.82647	1.7
70.82978	0.8
79.05474	2.6
80.79829	0.9
81.07050	6.4
83.08618	4.8
91.05476	17.8
93.07051	4.2
95.04931	0.9
95.08610	6.8
97.02883	1.1
98.98462	34.3
103.05450	1.9
105.07024	33.6
107.08592	6.6
114.06232	0.8
115.05440	2.3
116.99479	0.9
117.07012	4.5
119.04911	1.5
119.08575	100.0
120.08909	2.9
121.10130	3.8
129.06990	2.2
130.91785	0.8
131.08577	6.0
132.09378	1.2
133.10126	81.2
133.95990	0.9
134.10497	2.4
145.10114	8.5
146.10936	1.1
147.04366	1.2
147.08052	2.0
147.11676	12.5
150.96915	1.5
151.97157	0.8
157.10129	1.2
159.11639	1.4
160.05119	1.5
160.12511	4.8
173.13261	2.5
175.03802	1.1
175.07539	3.6
175.11252	2.7
175.14821	78.4
176.15166	2.7
182.57121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0866
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
50.66178	0.4
53.03939	0.5
55.01871	1.1
55.05507	1.5
56.05031	0.7
56.96563	4.2
57.03439	0.9
58.06598	0.5
60.04522	0.9
60.05646	4.0
61.02920	0.6
65.03923	0.5
67.05495	1.1
69.03419	2.4
69.07072	2.3
69.66896	2.4
70.02936	0.6
70.06592	15.0
71.04998	0.8
72.04517	0.6
72.08151	1.4
72.93786	1.1
73.02919	0.7
74.06072	0.5
77.03927	0.4
79.05474	0.8
81.03416	0.7
81.07053	1.9
82.02937	4.5
82.56475	0.3
83.01330	0.5
83.04986	1.5
83.06081	0.4
84.04529	0.3
84.08116	0.5
85.02892	1.6
85.06553	0.4
86.06067	0.5
86.09695	4.4
87.04456	0.5
87.05576	0.5
87.45719	0.3
88.04027	0.4
88.07613	0.4
90.94821	1.4
91.05476	5.6
93.07040	1.3
94.06567	4.8
95.04961	1.2
95.08604	0.8
97.02856	1.8
98.06068	0.6
98.98464	44.3
100.03956	0.5
103.05460	3.1
104.04989	5.0
105.07036	4.9
107.04945	1.8
107.08582	0.5
108.95853	0.4
109.02868	0.5
111.04417	0.9
112.07597	0.7
112.08715	0.7
114.05528	0.5
115.03981	0.3
115.05483	2.3
116.07069	3.6
116.97253	0.8
116.98618	2.1
116.99505	2.1
117.06999	1.6
119.00190	0.4
119.01856	0.4
119.04936	1.2
119.08585	9.1
120.08104	0.7
127.03903	0.5
128.02318	1.0
128.06218	0.7
128.98569	0.4
129.05493	0.4
129.07002	1.5
130.06525	100.0
130.09679	1.7
131.04912	0.7
131.05981	0.5
131.06862	3.6
131.08553	0.6
131.28494	0.3
132.04449	89.4
132.95825	1.4
133.01796	0.5
133.04756	2.1
133.06354	0.7
133.09238	0.5
133.10121	5.9
134.99641	1.5
137.02881	0.5
139.03951	0.4
140.04927	1.0
142.07790	0.5
143.04903	0.4
145.03404	0.4
145.10112	0.6
146.06021	1.1
146.99612	0.6
147.04431	3.3
147.08032	1.9
147.09108	0.7
147.11664	1.5
148.08640	0.5
150.96902	2.4
150.97887	0.5
151.97090	0.4
153.00665	0.4
156.06824	1.5
157.07611	34.3
158.06009	89.2
159.06377	3.5
160.05168	1.6
161.01262	0.4
175.03931	1.6
175.07468	3.1
175.08665	13.1
175.11087	1.4
175.12070	0.6
175.14809	5.3
176.07074	1.0
176.09119	0.7
176.10541	0.4
177.00635	0.5
193.00240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19399	0.1
55.01864	0.2
55.05511	0.7
56.05034	0.2
56.05841	0.4
56.96564	1.4
57.03420	0.6
59.06126	0.3
60.04498	0.3
60.08147	0.6
67.05494	0.2
69.03420	0.5
69.07063	0.4
69.38839	1.3
70.06586	0.6
70.95865	1.2
71.04990	14.0
72.04507	0.2
72.05309	0.1
72.93781	2.2
74.06062	0.2
82.06564	0.2
83.04969	0.4
84.04507	0.3
84.05315	0.5
85.02898	0.4
86.03748	0.1
86.06068	0.2
86.09686	0.2
87.05586	0.2
87.80334	0.2
88.96908	0.3
90.94822	1.3
91.05469	0.7
93.07050	0.2
93.82430	0.1
95.04952	0.2
96.04498	0.2
96.08110	0.2
97.02880	0.4
98.97597	0.6
98.98462	7.6
102.06319	0.2
105.07032	0.4
108.95872	0.4
111.04441	0.4
111.08054	0.2
111.98470	0.4
112.04760	0.4
112.07597	0.4
114.05492	0.3
115.07562	100.0
116.07893	1.9
116.98622	0.4
116.99521	0.4
118.06566	0.3
119.04907	0.2
119.08612	0.8
119.83395	0.1
126.06647	0.1
128.04924	0.2
129.99519	0.5
131.08546	0.2
131.97450	0.6
131.99680	0.4
132.08089	0.3
132.08951	0.2
132.95821	2.0
133.10120	0.5
134.99641	0.3
137.02837	0.2
139.07585	0.2
146.06012	0.6
146.08046	0.2
147.04393	0.7
147.11691	0.2
149.96106	0.3
149.98482	0.6
150.00734	0.3
150.96881	6.4
150.98096	0.3
155.97437	0.4
156.07481	0.3
160.05171	0.2
165.28831	0.2
167.97165	0.4
168.97897	0.3
173.98486	0.5
174.05493	0.2
174.08643	0.3
174.12729	0.6
174.13588	0.2
174.14902	4.0
175.07462	0.2
175.14925	0.5
177.00757	0.3
192.54956	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03929	2.2
53.42025	0.7
55.01875	3.3
55.05510	6.5
55.40205	0.6
56.96547	2.7
57.03413	1.0
57.07051	0.8
62.33274	0.7
65.03951	1.8
65.74969	0.8
65.77591	0.7
66.17988	0.7
67.05501	4.6
68.99767	2.4
69.03429	3.7
69.06722	1.1
69.07065	12.4
69.50562	1.2
69.50970	4.3
71.10220	0.6
73.15152	0.6
79.05063	1.2
79.05491	14.7
81.03427	3.9
81.07053	12.5
83.04967	1.2
83.08605	2.7
91.05478	56.9
92.05786	1.6
93.07037	6.8
95.01321	2.7
95.04973	5.4
95.05523	1.1
95.08601	6.7
97.02876	0.8
98.98466	33.8
103.02343	0.9
103.05463	5.3
104.06245	1.4
105.07030	37.8
107.04951	17.7
107.08585	6.1
109.06522	1.0
110.03664	1.5
112.37704	0.6
115.05472	5.2
116.06270	1.1
116.99493	1.5
117.07014	11.8
119.04980	3.3
119.08578	83.6
120.08898	1.6
121.06500	2.3
121.10140	1.3
123.04430	2.5
127.05478	0.7
128.06226	20.3
129.07014	21.2
130.06491	1.0
130.07358	1.4
131.04936	5.4
131.08551	8.6
132.05716	9.3
133.06523	7.0
133.10126	64.7
134.03638	8.5
142.07748	3.7
143.05367	2.4
145.06494	6.9
145.10129	5.7
146.07251	0.8
146.10887	1.3
147.04405	10.7
147.08038	26.2
147.11671	10.1
148.08368	1.5
149.06012	6.2
152.05995	0.8
155.06033	2.3
157.01738	0.9
157.06483	6.3
157.07623	1.0
157.10152	6.5
160.05203	8.6
160.12469	2.5
166.77115	0.8
173.05980	0.9
173.13274	1.7
175.07544	100.0
175.11153	16.4
175.14815	46.6
175.18935	1.7
176.07957	4.8
176.15198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.47287	0.5
53.03956	0.8
55.05508	13.8
55.06491	0.5
56.05855	0.5
56.96560	1.2
57.03439	1.4
57.07075	1.6
59.04991	2.6
62.51847	0.5
65.03935	0.6
67.05501	26.7
69.07059	0.9
71.04971	0.7
71.38144	0.9
79.05495	3.3
81.07066	5.4
83.04988	9.1
83.08630	1.3
85.06551	0.8
87.04461	0.5
91.05478	20.8
93.07025	2.5
93.76071	0.5
95.08602	2.4
101.06023	5.7
103.03285	0.8
103.05479	0.6
105.07025	7.1
107.08611	0.7
109.10149	14.0
111.04436	6.4
115.05447	1.3
116.06239	1.9
117.07010	11.1
119.08585	3.2
127.07542	0.9
128.06210	0.6
129.05502	4.1
129.06989	9.8
130.07819	3.8
131.08560	100.0
132.08891	1.9
140.91200	0.5
143.08554	2.7
144.09338	1.7
145.06447	1.3
145.10115	11.5
155.07008	5.2
155.08359	0.9
158.10893	2.5
171.11639	0.6
173.08260	6.0
173.09717	1.7
173.11902	1.6
173.13252	42.1
174.13570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1125
Annotation	Hyacinthacine A1
Peak:m/z	Relative Intensity
53.03934	3.1
53.96041	1.0
53.98564	0.9
55.01865	3.0
55.05509	34.0
56.05032	9.0
56.96563	54.4
57.03437	7.5
57.04555	13.5
58.06588	2.0
58.42366	1.0
60.04525	13.0
60.05648	8.9
61.02916	2.9
61.34716	0.9
65.03928	1.9
67.05495	7.6
68.05021	4.9
69.03436	9.8
69.06721	1.8
69.07067	24.0
70.06199	1.6
70.06591	32.4
70.95853	2.8
71.04984	5.2
71.06113	21.2
71.57106	1.3
71.95255	1.3
72.04511	1.2
72.08159	6.1
72.93794	4.9
72.96044	2.0
73.02918	5.3
74.06065	2.8
74.97610	2.1
79.05475	2.4
81.03417	5.8
81.07024	1.6
82.06588	11.3
83.00800	0.9
83.04985	5.6
83.08617	1.5
83.97628	5.8
84.04498	3.1
84.08123	5.0
84.96016	2.4
85.02897	8.9
85.06516	2.4
86.00643	2.0
86.06078	9.2
87.04465	27.4
88.07622	1.3
88.08728	1.2
88.96873	1.1
90.94836	2.4
91.02336	1.2
91.05476	2.5
93.07041	6.2
94.06561	2.3
95.04980	1.4
95.08615	1.3
96.08128	76.7
97.02883	10.7
97.06507	1.2
97.96796	1.6
98.97581	21.3
98.98464	19.4
99.04449	1.8
100.07614	15.1
101.00877	2.2
101.98695	1.3
103.02369	1.2
104.07105	6.1
107.01747	1.0
108.95853	1.5
109.02882	1.6
110.06038	1.7
110.09677	55.9
110.97581	1.3
111.04443	4.4
111.05581	1.0
111.09975	1.3
111.98434	1.6
112.04784	1.2
112.07626	2.6
112.99186	1.5
113.98655	9.1
114.05552	6.6
114.09162	100.0
115.09489	1.3
116.07085	6.9
116.98625	17.1
116.99461	1.8
119.01888	10.8
119.08619	2.2
120.01987	1.6
121.01691	1.4
121.03484	1.0
124.07577	1.7
125.07115	2.3
127.03964	2.3
128.02357	2.7
128.03468	1.0
128.05283	2.7
128.07135	3.7
128.10709	22.1
128.98601	3.4
129.03088	1.0
129.05511	1.2
130.06541	1.1
130.08691	1.3
130.09761	2.6
131.00188	1.9
131.01871	1.9
131.97487	1.4
131.99683	21.0
132.05093	2.8
132.06586	1.1
132.08025	1.0
132.95850	5.7
133.01688	1.1
133.03436	3.1
133.98846	1.4
134.99635	12.9
137.02930	3.1
138.09158	12.1
139.03914	2.3
140.00194	1.5
142.96559	1.3
143.00142	1.9
143.08174	2.3
145.01732	2.3
145.03456	2.5
146.08138	1.3
146.99637	3.7
147.05074	1.1
149.01216	2.6
149.02890	1.1
149.96182	1.3
149.98528	1.7
150.00760	17.2
150.06104	1.5
150.96886	14.3
151.04518	1.7
153.00702	1.8
155.97406	1.3
156.06549	1.2
156.10208	20.1
156.13792	1.6
158.06030	1.2
158.09306	1.1
158.99651	1.5
159.03242	1.2
160.97578	4.2
161.01215	3.9
161.02831	2.2
163.02777	2.7
163.04457	3.2
165.00711	1.1
168.01828	2.4
173.90569	1.2
173.98524	1.9
174.04282	1.1
174.06071	5.2
174.07471	1.4
174.11249	45.9
174.12463	19.5
174.14922	4.5
175.04527	4.1
175.07376	3.0
175.11861	4.7
177.00719	3.2
191.02280	1.8
193.00267	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05514	11.1
56.05839	1.2
56.96564	1.7
57.06189	0.6
57.07068	1.5
59.05003	1.3
64.26257	0.4
65.03953	0.5
65.08356	0.5
67.05505	6.1
69.07063	1.7
70.76384	1.0
70.76752	1.0
76.02222	0.6
79.05492	7.0
81.07069	7.7
83.04977	7.3
83.08611	1.5
91.05485	27.6
93.07042	6.7
95.08610	3.0
97.10181	0.8
98.98474	1.8
101.06019	4.5
103.03256	0.9
103.05456	1.1
105.07033	16.8
107.08601	2.1
111.04462	4.9
113.06033	0.8
114.85974	0.5
115.05454	4.5
116.06238	4.5
117.07021	27.0
119.08588	12.6
127.07539	0.9
128.06245	1.7
129.05528	3.1
129.07005	12.9
130.07803	6.0
131.08574	100.0
132.08937	1.7
133.10211	0.7
143.08580	5.7
144.05673	0.8
144.09344	6.0
145.06444	1.8
145.10129	38.9
146.10446	1.2
151.06905	0.7
155.07025	3.5
155.08368	0.9
158.10936	4.4
171.11700	1.8
173.08310	4.5
173.09697	2.3
173.13271	68.6
174.13580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03943	1.0
55.01869	0.9
55.05508	24.8
56.05831	1.0
56.96556	2.6
57.03432	1.7
57.07070	0.8
59.04998	5.0
59.20251	0.4
65.03932	0.9
67.05505	8.4
69.03434	0.9
69.07069	0.7
69.94976	1.2
69.95395	1.5
71.06120	0.7
72.93783	2.8
73.02892	0.7
76.02229	1.1
79.05492	8.5
81.03402	0.8
81.07053	6.0
83.04977	21.9
84.04494	0.6
85.02900	0.6
87.04466	1.5
89.02390	1.7
90.90412	0.5
90.94823	2.6
91.05475	27.8
92.05780	0.6
93.07041	6.0
95.04974	1.5
95.08618	2.5
98.21405	0.7
98.98461	0.5
99.04458	0.9
101.06016	16.1
103.03302	3.0
103.05446	1.4
105.07027	21.9
106.07391	0.7
107.08593	2.0
108.95811	1.2
109.10172	1.0
109.20173	0.5
111.04442	14.1
112.04729	0.5
113.06040	2.8
113.96381	0.6
115.05460	4.4
116.06261	3.6
117.07017	26.6
118.06534	1.2
118.07317	0.5
119.08572	11.5
119.09356	0.8
120.87728	0.4
127.07526	2.6
128.05203	0.4
128.06224	1.3
129.05492	14.7
129.06987	15.7
130.07813	5.0
131.08560	100.0
131.97433	0.7
132.08974	2.1
133.06400	0.5
133.10117	1.0
142.07784	0.6
143.08557	10.4
144.05704	0.5
144.09343	9.6
145.06517	2.8
145.10117	38.0
146.10435	1.1
147.06558	0.5
149.96049	0.5
150.96906	1.3
155.05014	0.7
155.07030	14.2
155.08395	0.8
156.09259	0.9
158.07248	1.5
158.10905	10.5
167.97157	0.9
171.11729	1.2
173.05913	1.0
173.08159	15.3
173.09669	4.1
173.13252	79.4
173.17319	1.2
174.12393	0.6
174.13812	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03944	0.6
55.05268	0.4
55.05513	5.2
57.07075	1.7
59.05001	1.0
67.05505	3.7
69.07066	0.5
69.69298	1.0
69.69710	1.5
71.47311	0.4
76.02213	0.5
76.43804	0.3
79.05492	4.4
81.03428	0.4
81.07051	3.9
83.04967	5.0
84.02795	0.4
87.04440	0.7
87.84009	0.3
91.05476	19.5
93.07044	3.5
95.04962	0.5
95.08612	1.9
101.06012	2.8
103.03304	0.9
103.05465	1.0
105.07025	10.4
107.08582	1.0
111.04436	3.3
115.05422	1.5
116.06255	2.8
117.07007	15.3
118.07353	0.4
119.08576	5.9
127.07587	0.6
128.06175	1.0
129.05524	2.6
129.06993	7.3
130.07790	3.1
131.08559	100.0
132.08846	2.9
133.10077	0.7
143.08560	4.7
144.09370	3.0
145.10117	20.3
146.10501	0.7
155.07050	2.4
157.10069	0.4
158.10922	5.6
158.68779	0.4
171.11662	1.6
173.08260	3.5
173.09747	1.1
173.13252	56.3
174.13634	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.73970	0.4
53.03957	0.5
55.05506	4.6
57.03444	0.4
57.07068	1.4
59.04996	0.6
65.03930	0.4
66.53049	0.3
67.05495	3.1
68.08862	0.3
69.07067	0.5
70.50694	1.3
76.02214	0.4
79.05483	4.4
81.07059	3.3
83.04978	4.1
83.15089	0.3
87.04432	0.3
89.02383	0.4
91.05477	20.1
92.05788	0.3
93.07037	4.3
95.04944	0.5
95.08605	1.9
98.20848	0.3
100.59756	0.3
101.06001	2.5
101.52616	0.3
103.03258	0.8
103.05476	0.7
105.04392	0.3
105.07023	12.0
106.07365	0.4
107.08579	1.2
111.04428	2.9
113.05957	0.4
115.05455	2.1
116.06242	2.5
117.07013	15.5
119.08579	4.8
123.71916	0.3
128.06203	0.7
129.05527	2.1
129.06995	6.1
130.07819	2.8
131.08559	100.0
132.08820	2.7
133.06563	0.4
133.10146	0.7
143.08560	2.9
144.09346	2.7
145.06494	0.6
145.10117	19.2
146.10443	0.6
155.07054	2.4
158.07228	0.4
158.10872	2.6
171.11679	1.4
173.08247	3.1
173.13254	52.8
174.07672	0.4
174.13638	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01858	3.1
55.05509	64.5
56.96577	5.1
57.03439	6.1
57.07063	2.4
59.04995	16.5
65.03922	2.3
67.05502	100.0
68.05833	2.4
69.03404	1.9
69.07046	3.4
70.84011	2.4
70.84346	1.1
71.04990	2.8
71.06104	2.1
72.93792	9.6
73.02894	1.3
76.02211	3.5
79.05486	7.4
81.07046	15.2
83.04978	51.2
83.08614	10.4
85.06523	4.1
87.04451	3.3
89.02360	4.0
90.94810	7.5
91.05476	22.8
93.07036	5.8
95.04942	3.0
95.08589	4.7
96.04499	1.7
99.04443	2.8
101.05384	2.1
101.06010	30.9
103.03297	5.1
103.05480	1.9
105.07030	14.6
107.08572	3.1
108.95876	5.3
109.10151	62.6
110.10483	1.6
111.04439	32.4
111.08105	2.4
113.05979	4.4
113.73948	1.1
113.96404	2.4
115.05441	11.8
116.06213	3.4
117.07020	20.6
118.06512	2.3
119.08569	13.6
127.05417	1.7
127.07522	6.6
128.06207	2.0
129.05482	30.4
129.06964	13.6
130.07825	7.1
131.08563	67.1
131.97452	1.5
132.08890	1.5
132.95697	1.1
141.06842	1.2
143.08554	17.2
143.12328	1.1
144.05658	1.2
144.09381	6.6
145.06509	8.0
145.08961	1.2
145.10109	33.0
146.05981	1.8
146.08052	1.4
146.10437	1.2
147.06517	1.9
150.96883	3.0
155.05806	1.7
155.07030	25.9
155.08427	3.1
156.07487	1.4
156.09242	1.7
158.06120	2.2
158.07266	6.1
158.10895	16.6
167.97102	2.6
171.11771	2.1
173.06009	6.2
173.08142	31.7
173.09630	12.5
173.11827	3.4
173.13240	64.9
174.12576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40099	0.3
53.03939	2.7
55.01868	7.6
55.05505	100.0
56.05843	1.6
56.96551	1.2
57.03428	1.2
57.07068	1.3
59.04994	2.5
67.05495	9.1
69.03425	4.4
69.07063	12.1
69.89534	0.3
70.41473	1.3
71.04999	0.9
72.04510	6.1
73.02901	0.4
79.05484	16.6
80.05826	0.7
81.03426	0.5
81.07048	15.1
83.04972	4.5
83.08611	37.2
84.08954	0.9
85.02901	0.7
85.06537	0.6
87.04450	0.8
88.11279	0.5
89.07148	3.9
91.05466	3.5
93.07050	2.4
95.04954	0.6
95.08642	0.8
97.06519	0.5
97.10159	37.0
98.10513	0.8
98.21425	0.4
100.97185	0.3
101.06004	0.4
101.09665	1.4
102.49579	0.3
105.06998	2.1
107.01330	0.7
107.08576	9.0
109.06493	0.7
111.04433	0.5
111.08108	1.0
115.05482	1.0
117.07025	1.0
125.02311	0.5
125.09613	8.0
128.06207	5.3
128.59410	0.4
129.06989	7.3
129.07907	0.5
131.08563	0.4
134.99698	0.6
135.08075	1.0
141.07005	1.2
141.51857	0.4
142.07829	1.4
143.08540	8.2
143.09526	0.6
145.06540	0.5
156.09361	3.8
171.02997	0.6
171.04283	0.4
171.05553	0.7
171.08121	0.8
171.10190	0.4
171.11673	10.2
171.14882	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03945	0.5
54.22419	0.4
55.01875	0.6
55.05507	9.6
56.96563	0.8
57.07062	0.5
58.65057	0.4
67.05499	2.8
69.07065	0.8
70.29501	0.8
70.29922	1.1
72.04510	4.7
79.05491	2.2
81.07046	0.8
82.36483	0.4
83.05009	0.5
83.08598	2.4
89.06683	0.4
89.07150	2.9
91.05476	14.0
93.07050	1.6
96.60299	0.4
97.10168	1.2
99.03627	0.4
103.05463	0.7
105.07026	5.5
115.05447	6.5
115.43609	0.4
117.07015	9.2
117.24443	0.4
118.06256	0.4
118.07346	0.5
128.06218	25.2
129.06998	100.0
130.07755	4.3
131.08571	4.0
133.06763	2.1
137.08232	0.4
141.06970	6.3
142.07799	5.5
143.08549	54.1
144.08882	1.8
145.06476	2.1
154.07732	0.5
155.06046	1.0
155.08583	1.5
156.09331	10.0
169.10117	2.8
171.11674	99.8
171.14650	2.3
172.12035	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.9
56.05018	0.2
56.96564	22.1
57.07054	0.8
57.97336	0.3
58.99852	0.6
59.04985	0.7
60.04508	0.3
67.05499	0.3
69.03373	0.4
69.04520	0.3
69.07076	0.3
70.94232	0.3
71.06097	0.7
71.22646	0.4
71.95267	2.3
72.04494	1.0
72.08134	0.6
72.93781	2.7
73.06548	1.3
74.97599	0.4
77.00897	0.5
81.07030	0.4
83.04981	3.0
83.06103	0.3
84.04487	0.3
85.02910	0.3
85.06535	0.3
85.53735	1.5
86.03742	0.3
88.11241	0.3
90.94823	2.6
91.05468	0.3
94.54271	1.0
98.97581	30.3
99.93316	0.3
100.02471	2.0
101.00885	0.9
101.02524	0.3
101.06013	2.5
102.02274	0.4
103.02438	0.6
104.01962	1.2
105.02236	0.4
108.95850	1.1
111.04440	1.5
113.05904	0.3
116.98615	50.8
117.98949	0.4
118.03516	3.1
119.01917	12.1
119.03658	0.4
120.01998	1.4
120.03254	0.6
121.01679	1.6
121.03455	0.5
122.03001	1.2
123.03194	0.5
127.07522	0.5
129.03993	0.4
129.05498	2.3
130.03535	0.4
131.00168	0.6
131.01907	1.0
131.97339	0.3
131.99706	0.3
132.05055	1.0
133.03462	0.6
134.01274	0.4
134.03029	1.6
134.99654	100.0
135.99969	0.9
136.04559	1.0
137.00061	0.3
137.02950	7.5
137.59601	0.3
138.03058	1.1
139.02695	0.6
140.00168	2.2
142.03456	1.2
144.05031	0.4
145.03487	1.1
146.60242	0.8
147.04996	0.5
148.02655	0.6
148.04552	0.6
148.06325	0.5
148.97400	0.7
149.01222	2.1
149.02966	0.8
149.04869	0.5
149.10474	1.7
149.60555	0.3
149.96075	0.7
149.97192	0.5
150.00748	0.5
150.02499	1.0
150.06107	0.7
151.06264	0.4
152.04048	0.4
153.00705	28.2
154.03510	0.6
155.01109	0.4
155.06998	1.5
158.01257	7.9
158.11000	0.6
159.05022	0.7
160.04610	0.8
161.02989	0.6
163.04553	1.0
166.07339	0.5
167.02229	0.8
167.05798	0.6
167.97159	0.9
168.03680	0.3
172.02861	0.5
172.04559	1.5
172.06079	0.5
172.07524	0.4
172.09668	0.5
172.11031	0.6
172.16953	0.3
173.04172	0.4
173.06543	1.0
173.08186	2.2
176.02333	1.7
177.00920	0.4
177.06136	0.4
190.04007	1.8
190.05675	0.9
190.07413	1.0
190.09175	0.5
191.07693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0803
Annotation	4-Hydroxybiphenyl
Peak:m/z	Relative Intensity
53.03944	0.4
55.01871	0.7
55.05509	8.6
56.96534	0.4
57.07095	0.3
65.03934	0.4
67.05491	0.8
69.03420	0.4
69.07063	1.1
69.82292	1.4
69.82711	0.6
72.04520	3.4
79.05492	1.3
81.03419	0.4
81.07050	1.6
83.04996	0.5
83.08612	3.6
89.07159	2.0
91.05490	1.1
97.10169	2.9
103.05454	2.1
105.07022	0.3
107.08624	1.0
111.04449	0.3
115.05453	4.2
117.07018	0.7
125.09620	0.5
127.05403	1.9
128.06219	100.0
129.06589	2.4
134.16757	0.3
141.06979	4.5
142.07750	1.8
143.08556	67.9
144.08905	1.5
145.06479	7.5
152.06152	0.6
153.06941	0.5
155.06036	4.5
156.05685	0.5
156.09285	1.5
166.81058	0.3
169.36626	0.3
169.40413	0.3
171.08043	49.9
171.11430	2.0
171.14894	1.0
172.08446	1.5
193.66411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Isoboonein
Peak:m/z	Relative Intensity
51.02388	0.3
53.03938	2.0
55.01873	7.5
55.05509	100.0
56.05841	1.8
57.03439	1.1
57.07068	0.8
59.05002	2.5
62.37976	0.3
65.03961	0.3
67.05502	8.9
69.03428	5.0
69.07064	12.4
70.07407	0.3
71.21889	0.4
72.04504	1.4
79.05490	17.0
80.05826	0.4
81.03448	0.2
81.07053	15.5
83.04977	4.2
83.08614	35.8
84.08943	1.1
85.02922	0.4
85.06533	0.8
87.04445	0.7
89.07156	0.8
91.04951	0.4
91.05479	3.3
93.07042	2.9
95.04988	0.5
95.08593	0.7
97.06524	0.2
97.10165	36.5
98.10482	1.0
101.06020	0.5
101.09650	1.7
105.07034	1.6
107.01320	0.3
107.08589	9.6
108.08914	0.4
109.06522	0.9
111.08071	0.9
115.05440	0.6
117.07024	1.0
119.06010	0.3
125.09624	8.4
128.06221	1.9
128.94281	0.2
129.06999	5.9
130.07800	0.3
135.08069	1.0
141.06961	0.7
142.07726	0.6
143.08554	3.7
145.06485	0.3
156.09296	0.9
171.11665	4.0
171.14912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51234	0.4
53.03952	2.3
55.01878	8.2
55.05513	100.0
56.05835	1.9
56.96563	2.5
57.03444	1.5
57.06836	0.5
57.07074	2.8
59.05009	3.1
63.68613	0.4
65.03947	0.6
67.05508	10.6
69.03442	4.3
69.07072	12.7
70.06608	0.4
71.04984	0.5
71.08633	0.7
71.58227	0.7
72.04515	8.4
73.02935	0.5
74.06078	1.2
79.05495	18.8
80.05829	0.5
81.07061	17.2
82.07389	0.5
83.05000	4.1
83.08623	39.2
84.08954	1.0
85.02911	1.3
85.06554	1.0
87.04478	0.9
88.07630	3.5
88.11311	0.6
89.07151	5.4
91.05474	5.0
92.05820	0.4
93.07040	3.5
95.04975	1.2
95.08587	0.7
97.06539	1.1
97.10175	39.4
98.10494	0.6
98.21169	0.5
101.06020	0.5
101.09669	2.0
102.09176	2.0
105.07046	2.4
107.01246	0.4
107.08595	10.5
109.06551	1.0
111.04478	0.7
111.08086	1.1
115.05468	1.7
117.07032	1.3
125.09635	9.0
128.06229	9.2
129.07021	12.9
130.07431	0.6
131.08530	0.5
135.08064	1.1
141.07011	3.0
142.07793	2.7
143.08565	13.8
155.06061	0.8
155.08609	0.7
156.09351	5.6
171.03006	0.6
171.08084	1.4
171.11694	17.6
171.14931	3.2
172.07545	0.8
172.09801	0.6
172.12132	0.6
172.13425	0.5
172.16969	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.4
53.03946	2.1
55.01876	7.2
55.05514	100.0
55.29319	0.4
56.05855	1.9
56.96564	1.8
57.03424	1.0
57.07069	1.0
59.05018	2.6
67.05507	10.7
68.05817	0.5
69.03432	4.6
69.07070	12.1
70.27095	0.8
70.27518	0.9
72.04524	4.3
73.02916	0.4
79.05499	16.4
80.05830	0.6
81.06581	0.6
81.07061	15.2
83.04993	4.3
83.08623	34.1
84.08953	1.0
85.02909	0.9
85.06544	0.4
87.04456	0.8
89.07158	2.7
91.05491	5.2
93.07036	2.4
95.04977	0.9
95.08618	1.0
97.10177	35.8
98.10497	0.7
98.20792	0.5
98.21354	0.6
101.09654	1.6
103.05456	0.4
105.07025	2.3
107.08606	9.5
109.06544	1.1
111.08101	1.3
115.05453	1.4
117.07042	1.6
120.32781	0.3
125.09640	7.3
128.06235	9.0
128.07137	0.6
129.07016	18.6
130.07759	0.8
130.19273	0.4
131.08530	0.4
135.08031	1.2
137.05360	0.5
141.07014	3.1
142.07790	3.8
143.08572	17.2
144.08928	0.4
145.06500	0.9
145.08160	0.4
148.69647	0.4
155.06012	0.5
155.08577	0.5
156.09375	5.7
158.06020	0.5
169.10201	0.4
171.05603	0.5
171.07993	0.5
171.11697	21.0
171.14890	1.7
172.12071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61918	1.6
53.03944	6.2
55.01874	32.2
55.02985	1.6
55.05513	9.0
56.05036	9.2
56.96565	100.0
57.03427	8.2
57.04556	2.0
58.06596	6.9
59.04991	2.0
59.06105	2.7
60.04514	3.2
60.95846	5.5
61.01147	4.1
61.02926	2.3
65.03935	5.9
67.05505	10.3
68.05027	12.6
68.37066	1.8
68.99791	7.4
69.03428	12.0
69.04551	1.7
69.07068	7.1
70.06596	15.6
70.53470	5.1
70.98125	3.2
71.01337	1.9
71.04993	7.7
71.95265	3.3
72.04510	9.6
72.08155	15.8
72.93781	3.9
73.02921	4.9
74.06081	2.3
74.97602	2.8
79.05497	14.9
80.05024	6.8
80.05824	1.6
81.03411	14.8
81.04548	2.4
81.05779	3.1
81.07047	11.0
82.03716	2.2
82.06586	14.5
83.01342	5.2
83.04989	7.4
83.06110	8.3
83.08624	3.1
84.04500	16.0
84.08138	10.6
84.96034	4.3
85.02901	12.6
85.06539	1.9
85.07684	4.8
86.06068	9.0
86.09708	2.6
87.04474	2.5
88.02234	2.1
88.07608	1.5
88.99139	2.6
89.07170	3.9
90.94813	2.5
91.05466	4.1
92.05011	7.8
93.05807	12.5
93.07027	2.7
94.02906	2.3
94.06586	5.8
94.82705	1.6
95.04957	9.2
95.06093	6.5
96.04481	6.6
96.06895	2.2
96.08121	19.6
97.02888	11.6
97.06512	6.1
97.07645	9.2
98.06062	7.9
98.09689	2.7
98.97593	9.9
99.04448	4.6
99.05560	4.4
100.04022	1.7
100.07608	11.9
100.99130	3.4
102.96866	2.9
106.06555	7.6
107.01315	5.1
107.04960	9.4
107.06065	1.6
107.08582	3.0
108.04501	2.6
108.08120	5.0
109.02866	11.0
109.06480	3.0
109.07626	5.6
109.10155	3.1
110.03440	2.7
110.06048	14.9
110.07200	9.5
110.09687	5.7
110.97598	3.3
111.00824	2.9
111.04415	9.3
111.05585	4.6
111.08076	2.6
111.09211	4.4
112.07589	6.3
113.07111	2.9
114.05542	7.9
114.09207	1.8
116.97190	1.7
116.98611	14.4
118.01063	2.8
119.00198	6.7
119.01910	6.8
120.01994	2.2
120.97967	2.2
121.02829	8.6
122.06121	2.5
122.07097	3.1
123.04453	7.8
123.05413	1.5
123.06816	2.4
124.03941	2.8
124.07592	39.9
124.08559	1.6
124.11227	7.0
125.02361	5.8
125.04596	3.8
125.06009	4.6
125.07098	7.9
125.09967	1.8
125.10735	10.9
126.05521	3.7
126.09164	2.3
127.01543	9.2
127.02369	1.6
127.03901	5.9
128.02374	1.9
128.03450	4.6
128.04449	2.0
128.07097	4.3
128.98598	9.7
129.01836	1.9
131.00186	2.7
131.01913	1.9
133.01593	3.2
134.01253	2.0
134.06020	51.3
134.09575	2.7
134.99660	14.0
135.04449	3.9
136.05223	2.1
136.06184	18.2
137.04735	3.0
137.98396	1.7
138.05495	3.6
139.00273	27.9
139.03874	4.0
139.06302	3.0
140.07089	3.0
140.08141	1.7
141.05507	1.6
142.04904	2.6
142.05858	3.5
142.07350	3.3
142.08643	18.5
142.09720	2.8
143.00191	1.9
143.03325	2.3
143.11772	2.3
146.97446	3.2
146.99648	23.2
147.01407	3.6
147.05060	1.6
147.96938	5.3
149.01195	3.7
149.02988	1.6
152.03435	3.2
152.07069	86.8
152.08098	3.6
152.10696	39.1
152.11653	1.6
153.00732	2.8
153.01791	8.0
153.04204	2.7
153.05469	11.4
153.10170	4.2
155.05806	5.2
156.07851	2.2
156.09340	2.8
157.01324	67.9
158.01288	2.5
161.01230	6.3
164.98485	2.1
165.00708	8.8
165.04254	3.4
165.97958	5.5
167.02313	1.8
169.01807	2.1
170.01295	2.5
170.05110	1.8
170.08131	24.1
170.09610	31.6
170.11711	29.0
170.12917	3.0
171.02869	7.4
171.07654	3.0
171.11330	7.3
177.04343	2.4
179.02246	3.6
183.01784	3.8
187.02786	5.1
189.00728	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03940	5.0
55.01872	4.1
55.05507	35.6
56.05025	1.4
56.05833	1.2
56.96558	0.9
57.03423	2.9
57.07075	4.7
59.04995	7.2
59.06114	1.7
61.96727	0.8
65.03934	3.2
66.04704	1.6
67.05504	15.4
68.05016	1.5
69.03423	9.0
69.07063	42.5
69.32328	1.5
69.32751	5.2
70.06572	1.2
70.07386	1.2
71.04985	2.7
72.08148	0.8
73.02888	0.7
73.17654	0.6
77.03923	1.2
78.04707	19.0
78.05156	1.2
79.05486	38.3
80.05006	0.8
80.05799	0.8
80.27810	0.7
81.03418	1.9
81.04546	1.3
81.07052	33.7
82.06579	2.9
82.07376	1.1
83.04974	33.0
83.06084	1.9
83.08611	13.7
84.04524	0.7
84.08163	0.9
85.02906	1.1
85.06529	4.2
87.04431	0.7
91.05473	20.2
93.03398	2.8
93.07035	85.5
94.04197	1.5
94.06554	0.7
94.07369	2.8
95.04961	14.1
95.06067	1.0
95.08600	18.2
96.05733	1.5
96.08971	0.7
97.02888	1.5
97.06525	13.7
97.07627	1.4
97.10140	4.1
98.06027	0.8
98.21461	1.4
99.05602	0.7
99.08084	1.0
103.05456	2.8
104.05805	0.7
105.03385	1.1
105.04523	1.3
105.07024	24.8
106.04137	4.7
106.07842	1.2
107.04942	7.3
107.08586	31.5
108.08888	0.8
109.02869	3.7
109.06511	8.9
109.07635	4.5
109.10151	8.6
110.07216	0.8
110.08424	2.2
111.04422	3.2
111.08074	15.5
111.09191	2.2
111.11718	3.7
112.08874	1.3
119.08562	5.4
121.01661	2.5
121.02849	2.0
121.06509	8.0
121.08362	2.2
121.10134	100.0
122.03645	1.2
122.06032	1.4
122.07135	1.5
122.10448	3.4
123.04424	33.8
123.08060	9.6
123.08997	1.1
123.11679	6.0
124.05218	11.9
124.08725	1.4
125.06015	4.8
125.07021	1.2
125.08205	1.0
125.09637	7.7
126.06609	1.2
127.07339	0.8
131.08527	2.3
133.07602	2.0
134.03723	1.3
135.04385	2.0
137.05865	1.1
138.03084	1.1
138.06689	1.1
139.02737	1.6
139.03813	1.1
139.07562	2.6
139.11165	4.9
144.03264	1.0
144.95825	1.0
149.02295	2.0
149.05981	4.5
149.09613	17.2
149.13255	4.2
150.05463	0.9
150.06586	0.9
150.10245	5.5
151.03893	5.1
152.04684	6.7
167.03435	3.4
167.07027	82.6
167.10658	21.8
167.12891	1.7
167.14279	17.5
167.15602	1.3
168.04187	0.8
168.07570	3.3
168.11246	1.4
168.14824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.9
52.37350	0.7
53.03943	4.8
54.46665	0.7
55.01864	5.2
55.05508	47.8
56.05039	1.0
56.05846	1.1
57.03424	2.5
57.07077	6.6
59.04995	8.7
59.06100	0.9
65.03930	3.0
66.04708	1.6
67.05176	1.4
67.05503	17.4
68.05006	1.2
68.05835	0.7
68.99801	1.0
69.03431	12.9
69.07064	45.8
70.06586	1.4
70.07394	1.2
71.04996	5.0
71.08611	1.1
71.57738	1.2
73.06554	0.6
77.03940	1.1
78.04707	16.1
79.05489	38.2
80.05006	0.8
80.05807	1.1
81.03405	3.1
81.07053	39.8
81.90839	0.7
82.06567	1.7
82.07341	0.9
83.04979	45.3
83.06071	1.5
83.08616	21.4
84.05271	0.7
85.02885	0.8
85.06527	4.5
85.07668	0.8
91.04895	1.1
91.05470	19.6
91.06014	1.3
92.38113	0.7
93.03376	1.1
93.07038	85.0
94.04175	1.4
94.06584	0.7
94.07370	2.8
95.04972	13.1
95.06010	0.7
95.08604	21.2
96.05783	0.9
97.02878	1.5
97.06519	14.0
97.07606	1.3
97.10164	4.3
99.04460	0.8
99.08099	0.9
103.05468	2.7
105.03386	2.2
105.04498	1.8
105.07024	24.9
106.04185	4.7
107.04975	5.3
107.08586	34.3
108.08929	1.5
109.02879	3.9
109.06519	10.5
109.07623	4.2
109.10145	12.2
110.07256	1.0
110.08415	2.0
111.04456	3.8
111.08079	20.6
111.09148	1.5
111.11723	4.2
112.08839	2.6
113.09625	1.1
119.08598	4.9
121.01646	1.8
121.02885	1.9
121.06515	5.9
121.10135	100.0
122.03654	1.7
122.06036	1.1
122.07123	2.2
122.10431	4.2
123.04421	26.2
123.08048	11.0
123.11694	8.2
124.05255	8.3
124.08675	1.0
124.12045	0.7
125.06021	4.1
125.07080	0.6
125.09619	9.5
126.06688	0.6
126.10272	0.7
131.08554	3.9
133.07619	2.3
134.03693	1.6
135.04419	2.0
137.05948	1.2
137.09593	1.1
138.03072	0.8
139.02759	0.7
139.03938	1.0
139.07524	2.9
139.11171	6.6
140.07040	0.8
144.03238	1.2
149.02325	1.6
149.05940	3.2
149.08406	1.0
149.09615	19.7
149.13225	5.1
150.10255	4.9
150.13545	0.7
151.03903	5.6
152.04701	5.3
167.03368	3.6
167.07036	70.9
167.10655	22.1
167.12967	1.7
167.14305	24.1
168.02850	0.8
168.07376	3.7
168.11198	1.1
168.14656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.00299	0.9
53.03951	5.0
55.01878	5.5
55.05264	1.6
55.05511	23.4
56.05032	1.0
56.96561	2.7
57.03439	2.2
57.07073	2.1
59.04992	4.4
63.74454	1.0
65.03934	4.8
67.05499	11.9
68.99783	1.4
69.03429	8.0
69.07069	49.1
70.06621	1.0
70.07391	1.1
71.01330	1.4
71.04983	4.1
71.58506	1.9
76.54649	0.9
77.03948	1.2
78.04716	9.9
79.05499	32.9
80.05830	1.3
81.03413	3.0
81.07059	28.9
82.06611	1.6
83.04986	6.9
83.06107	1.0
83.08613	8.0
84.74847	0.9
84.96030	2.4
85.02921	1.1
85.06552	2.6
87.04459	0.9
91.05482	24.9
93.03403	2.0
93.07044	99.2
94.07390	1.9
95.04981	12.4
95.08608	17.0
97.02902	2.0
97.06536	12.7
97.10188	2.2
98.06063	2.1
99.08070	1.4
100.11247	2.8
103.05481	5.2
105.04527	3.1
105.07034	22.3
106.04185	3.4
107.04956	8.3
107.08598	20.0
108.04442	1.1
109.02873	4.9
109.06524	8.7
109.07673	2.2
109.10156	3.6
110.03679	2.6
110.08406	1.0
111.02045	1.1
111.04452	4.0
111.08095	5.0
111.09209	1.1
111.11708	5.3
116.42314	0.9
119.08591	4.8
121.01660	7.3
121.02883	3.8
121.06512	11.0
121.10144	100.0
122.06057	1.8
122.07096	1.2
122.10527	2.1
123.04430	18.6
123.08070	10.7
123.11719	4.0
124.05217	7.8
125.05996	3.3
125.08267	1.8
125.09640	3.4
126.05534	2.1
131.08578	2.1
133.07573	1.0
134.03647	1.3
135.08075	1.1
137.05746	1.0
139.02721	5.3
139.03827	1.9
139.07594	4.8
139.11194	4.2
139.97833	1.1
143.96638	1.2
144.03244	2.9
149.02339	6.0
149.05984	24.7
149.07124	1.8
149.09616	17.1
149.10732	1.3
149.13290	3.2
150.06381	1.9
150.10265	1.1
151.03912	3.2
152.04666	4.4
152.06241	1.3
159.64561	1.0
162.04323	2.3
163.03923	1.0
165.06924	1.4
167.03386	7.5
167.07065	53.6
167.08539	4.5
167.10666	31.3
167.14287	8.8
167.15492	1.0
168.04359	1.1
168.11259	1.2
170.02103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.01115	0.6
51.02378	0.8
51.69426	0.7
53.03950	4.8
55.01864	2.6
55.05508	34.1
56.05033	0.7
57.03431	2.4
57.07075	4.5
58.06623	0.7
59.05000	7.2
59.06105	1.1
61.04843	0.7
65.03942	2.6
66.04716	1.3
67.05502	14.2
68.05035	1.5
69.03423	9.3
69.07066	44.3
69.27625	7.2
70.06609	0.9
70.07401	1.0
71.04987	3.3
73.02911	0.7
77.03896	0.9
78.04698	12.6
79.05490	35.4
80.05808	0.8
81.03423	2.3
81.07052	32.0
82.06591	1.2
83.04977	32.0
83.06080	1.4
83.08621	12.8
85.02918	1.0
85.06537	4.1
91.05471	19.0
93.03396	1.1
93.07038	85.4
94.04193	1.3
94.07378	1.7
95.04961	12.5
95.06028	0.9
95.08601	20.6
96.05775	1.1
97.02887	1.9
97.06523	14.9
97.07588	1.4
97.10169	4.4
99.04469	1.3
99.08073	1.8
103.05461	4.0
105.03384	1.0
105.04485	1.2
105.07028	24.5
106.04163	5.2
106.07839	1.6
107.04960	5.6
107.08594	23.8
108.08868	1.0
109.02900	1.9
109.06509	8.4
109.07646	4.6
109.10151	8.0
110.03633	0.7
110.07175	0.9
110.08441	1.3
111.04445	2.8
111.08072	13.1
111.09216	2.0
111.11722	5.3
112.08836	1.4
119.08596	4.6
121.01626	1.4
121.02885	2.9
121.06532	6.5
121.10136	100.0
122.03618	0.8
122.07130	0.8
122.10484	3.7
123.03561	1.6
123.04424	23.2
123.08045	9.9
123.11718	6.0
124.05228	7.0
124.08676	0.8
125.05990	4.8
125.07105	1.3
125.09611	6.0
126.10114	0.8
131.08548	2.5
133.07629	1.7
135.04388	1.2
137.05969	1.6
138.06670	1.2
139.07549	2.9
139.11169	4.9
141.60316	0.8
144.03220	0.7
149.02284	0.8
149.05978	3.4
149.09625	19.1
149.13223	3.5
150.06580	0.8
150.10277	3.7
151.03918	3.2
152.04701	4.4
167.03378	3.1
167.07030	62.2
167.10663	22.4
167.12877	2.1
167.14281	16.4
168.07504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02362	0.4
53.00290	0.4
53.03946	2.5
55.01859	1.0
55.05524	1.8
56.05037	0.6
56.96565	3.1
57.03434	0.5
57.54535	0.3
59.06120	0.5
65.03924	2.0
66.04706	1.5
67.01867	0.4
67.05503	2.5
68.05006	0.7
68.99776	1.0
69.03409	1.5
69.07056	1.2
70.06583	0.8
71.04991	0.4
71.26028	0.8
71.26389	0.6
72.08161	0.6
73.02905	0.5
77.03915	0.8
78.04709	21.1
79.05110	0.6
79.05492	10.2
79.05962	0.7
80.05013	0.7
80.05813	0.7
81.03417	4.6
81.04488	0.4
81.07061	3.1
82.06560	1.2
82.94826	0.9
83.04970	1.9
83.06108	0.6
84.08134	0.6
85.02891	1.4
90.01549	0.5
91.05482	3.4
92.05813	0.5
93.03389	1.3
93.07035	3.8
94.04163	0.9
94.06548	1.2
94.07351	1.3
95.04974	6.9
95.06039	0.7
95.08590	0.7
96.04485	0.6
96.05732	1.2
97.02894	1.5
97.06497	1.7
97.07655	0.6
98.06018	0.5
98.97585	0.9
102.36828	0.4
103.05457	1.5
104.05102	0.6
104.05793	5.9
105.03403	2.0
105.04507	0.6
105.07042	0.6
106.04168	7.1
107.04953	7.4
107.08626	1.9
108.05287	1.2
109.02864	3.1
109.06508	1.3
109.07647	2.1
110.03653	0.5
110.06023	0.7
110.08386	0.8
111.04468	1.9
111.05586	0.4
111.08054	1.1
111.09193	0.7
116.98621	1.0
119.01837	0.6
119.04919	0.5
120.08108	7.7
121.01655	1.1
121.02863	2.3
121.06573	4.3
121.08440	50.0
121.10194	1.6
122.03654	2.5
122.05991	0.9
122.07156	0.4
122.08792	0.5
123.04425	35.9
123.09169	0.4
124.05226	11.5
124.08720	0.5
125.06061	0.6
125.07119	0.5
125.09586	0.7
128.02318	0.4
131.08574	0.5
132.05266	1.2
134.03642	2.4
134.99629	0.5
135.04410	3.7
137.02307	0.8
137.05952	1.3
138.03076	0.6
139.02701	0.8
139.03888	0.8
139.07532	1.0
144.03217	0.6
149.02303	1.7
149.05980	3.8
149.09660	0.5
150.05444	1.0
150.10252	1.5
151.03902	7.7
152.04689	5.7
154.04987	1.2
155.04651	0.6
155.74370	0.4
162.95818	0.7
163.02745	0.7
167.03368	2.6
167.07031	100.0
167.12877	1.1
168.04155	1.3
168.07491	3.2
168.11389	0.4
171.03050	0.4
177.00740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	(R)-tropic acid
Peak:m/z	Relative Intensity
51.02359	0.3
53.03710	0.2
53.03941	3.1
55.01866	1.6
55.05485	0.4
62.07345	0.2
65.03930	0.7
67.05478	0.6
69.03426	1.5
69.07057	0.4
69.46093	1.6
71.04961	0.2
74.07271	0.2
77.03904	0.9
78.04697	1.2
79.05491	2.3
81.03407	0.8
81.07047	1.2
83.04964	0.4
83.08630	0.3
91.05477	9.5
92.05800	0.4
93.03380	0.4
93.07039	12.5
94.07407	0.5
95.04964	7.5
95.08597	0.5
96.05220	0.2
97.06500	0.3
102.04632	0.2
103.05462	10.7
105.04530	1.0
105.06992	0.5
106.04142	0.5
107.04948	1.0
107.08582	0.8
109.06525	0.4
111.04461	0.2
115.96577	0.2
121.01685	0.2
121.06501	14.1
121.10142	0.6
122.06845	0.3
123.03618	0.3
123.04404	1.4
123.11690	0.3
124.05215	0.4
128.33344	0.2
131.04921	4.8
134.03612	0.8
139.07507	0.2
144.03188	0.2
149.05974	100.0
150.06317	3.5
152.04623	0.3
156.61034	0.2
167.03413	0.6
167.07031	5.5
167.10707	0.5
167.14317	0.4
178.75620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	(R)-tropic acid
Peak:m/z	Relative Intensity
51.02372	0.3
52.18905	0.1
52.21122	0.2
53.03946	2.8
55.01862	1.6
55.05512	0.8
56.96574	0.2
57.07056	0.2
57.31258	0.2
59.04991	0.2
65.03929	0.6
67.05502	1.1
68.99776	0.3
69.03420	1.5
69.07065	1.7
69.50030	0.2
70.25285	0.8
70.25578	0.1
71.05001	0.2
77.03916	0.8
78.04701	1.9
79.05489	4.1
81.03419	0.9
81.07043	1.4
81.79169	0.2
83.04968	0.6
83.08578	0.2
87.98847	0.2
91.05479	10.0
92.05812	0.3
93.03403	0.6
93.07040	14.3
94.04164	0.2
94.07374	0.3
95.04966	7.8
95.08598	0.8
97.02903	0.2
97.06512	0.8
97.10144	0.2
102.04697	0.3
103.05462	11.3
104.05809	0.4
105.03388	0.3
105.04510	1.1
105.07034	1.0
106.04176	0.8
107.04971	1.2
107.08587	2.4
108.08887	0.2
109.02909	0.5
109.06532	0.9
109.07587	0.2
109.10107	0.4
111.04455	0.2
111.08070	0.5
121.01642	0.2
121.02868	0.6
121.06499	13.9
121.10133	3.4
122.03654	0.4
122.06908	0.2
123.04421	3.8
123.08084	0.6
124.05227	1.2
125.05986	0.3
125.09634	0.5
131.04919	4.8
134.03572	0.8
135.04427	0.2
137.05937	0.3
138.21507	0.2
139.07579	0.4
139.11127	0.3
141.29831	0.2
149.05975	100.0
149.13335	0.4
150.06323	3.7
150.10187	0.3
151.03896	0.6
152.04649	0.8
167.03458	1.1
167.07039	11.2
167.10658	1.5
167.14333	0.4
168.07491	0.3
177.61131	0.2
183.40799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	(R)-tropic acid
Peak:m/z	Relative Intensity
50.01598	0.2
51.02386	0.4
53.03540	0.1
53.03942	2.6
55.01871	1.5
55.05498	0.6
61.04139	0.1
61.14317	0.1
65.03931	0.4
65.63207	0.1
66.04702	0.2
67.05488	0.5
68.99769	0.2
69.03426	1.4
69.07051	0.4
69.46786	1.1
71.04966	0.2
72.04485	0.1
77.03896	0.6
78.04707	1.8
79.05486	3.4
81.03397	0.7
81.07065	0.7
83.04967	0.5
83.08598	0.2
91.05473	9.9
92.05812	0.2
92.20238	0.1
93.03393	0.4
93.07036	12.5
94.07365	0.5
95.04957	7.5
95.08601	0.6
96.05781	0.2
97.06517	0.4
102.04686	0.3
103.05459	11.5
104.05746	0.2
105.04515	1.2
105.07016	0.6
106.04157	0.8
107.04358	0.2
107.04949	1.3
107.08571	1.4
109.02882	0.3
109.06492	0.7
109.10118	0.2
111.04408	0.2
111.08074	0.3
121.01642	0.2
121.02888	0.3
121.06493	14.1
121.10116	0.9
122.03642	0.2
122.06841	0.3
123.04426	2.3
123.08037	0.5
123.11745	0.2
124.05207	1.2
125.05955	0.2
125.09552	0.3
131.04916	4.5
131.08585	0.2
132.05396	0.2
134.03616	0.8
135.04451	0.2
139.07559	0.3
147.33466	0.1
149.05968	100.0
150.06306	4.0
151.03885	0.6
152.04672	0.7
167.03386	0.3
167.07031	9.2
167.10703	0.5
167.14331	0.2
168.07349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	(S)-tropic acid
Peak:m/z	Relative Intensity
50.01591	0.2
50.83567	0.2
51.02388	0.5
52.37652	0.1
53.03941	2.8
55.01866	1.6
55.05497	0.5
58.15446	0.1
65.03937	0.4
66.04707	0.2
67.05497	0.8
68.99786	0.3
69.03433	1.0
69.07072	0.4
69.16238	0.1
70.46676	0.6
77.03899	0.8
78.04704	2.6
79.05489	3.3
81.03403	0.7
81.07047	1.1
83.04983	0.4
83.08649	0.1
87.36338	0.1
91.05477	9.3
92.05816	0.4
93.03426	0.4
93.07037	13.6
94.04178	0.2
94.07362	0.3
95.04963	7.6
95.08606	0.6
97.02934	0.2
97.06531	0.5
102.04693	0.5
103.05464	11.5
104.05820	0.3
105.04515	1.1
105.07042	0.6
106.04169	0.9
107.04979	1.3
107.08576	1.1
109.02877	0.3
109.06518	0.9
109.10124	0.2
111.04526	0.3
111.08054	0.3
119.08555	0.2
121.01728	0.2
121.02902	0.2
121.06499	14.0
121.10129	2.2
122.03630	0.3
122.06868	0.5
123.04412	3.9
123.08069	0.4
123.11749	0.4
124.05224	1.4
125.06001	0.4
125.09631	0.2
131.04922	4.8
131.08597	0.2
134.03661	0.7
135.04424	0.3
137.05908	0.2
149.05972	100.0
150.06308	3.4
150.10239	0.2
151.03879	1.0
152.04642	1.1
161.37373	0.1
167.03375	0.5
167.07033	12.9
167.10677	2.0
168.07364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01603	0.3
51.02377	0.6
52.03164	0.6
53.00317	0.3
53.03944	1.5
54.03464	0.4
55.01873	1.4
55.05508	4.3
56.05014	0.7
56.96542	0.4
57.03432	1.0
57.07062	0.8
59.04988	0.9
59.06108	1.0
59.85263	0.3
60.31778	0.3
65.03937	2.1
66.04720	1.8
67.05507	4.2
68.05016	1.0
68.99775	0.9
69.03432	3.9
69.04545	0.4
69.07067	5.7
69.23785	3.5
70.06574	1.3
71.01353	0.4
71.04990	1.3
72.08151	0.4
73.02916	1.5
73.06568	0.3
77.03925	0.7
78.04708	22.0
79.05489	12.1
80.04993	0.8
81.03413	2.2
81.04535	0.7
81.06584	0.4
81.07055	6.7
82.04184	0.3
82.06583	2.0
83.04977	4.2
83.06094	1.0
83.08617	2.6
84.04453	0.4
84.06897	0.3
84.08154	0.5
85.02895	0.7
85.06535	0.6
85.07663	0.5
91.05480	5.3
93.03397	1.2
93.07044	13.7
94.04179	1.4
94.06560	0.5
94.07326	0.3
95.04965	6.6
95.06053	0.4
95.08603	5.0
96.05742	1.8
97.02892	0.9
97.06535	2.8
97.07614	1.0
97.10199	0.5
99.04453	0.6
103.05468	0.9
105.03405	1.8
105.04524	0.7
105.07033	4.9
106.04169	6.9
107.04964	3.4
107.08593	11.1
108.04481	0.6
108.08107	0.4
109.02883	3.3
109.06527	4.5
109.07629	3.8
109.10134	1.5
110.03669	0.6
110.06051	0.5
110.07171	0.8
110.08423	1.9
111.04456	2.5
111.05585	0.5
111.08080	2.0
111.09211	1.5
111.11713	0.5
115.29182	0.3
119.04913	0.4
119.08556	0.8
120.02047	0.4
121.01690	0.8
121.02869	17.7
121.03861	0.5
121.06504	4.3
121.08382	0.5
121.10143	12.4
122.03696	1.5
122.06050	0.4
122.07127	1.6
122.10484	0.5
123.04424	36.3
123.08057	2.7
123.09164	0.5
123.11684	1.1
124.05226	12.2
124.08690	0.9
125.05963	1.6
125.07002	0.4
125.09609	1.4
126.05489	0.5
126.06609	0.3
127.07436	0.5
131.08600	1.4
133.07620	0.3
134.03616	2.0
135.04402	1.4
137.02336	1.0
137.05989	1.4
137.09650	0.3
138.03114	0.8
139.02734	0.4
139.03896	0.8
139.07570	1.7
139.08498	0.3
139.11176	0.8
140.07133	0.4
144.03244	0.5
149.02376	1.6
149.05978	3.8
149.09612	4.2
149.13223	1.2
150.06552	0.5
150.10248	3.2
151.03906	7.7
152.03406	0.4
152.04669	7.4
167.03418	2.9
167.07033	100.0
167.10602	4.6
167.12885	1.0
167.14259	0.9
168.04143	1.0
168.07491	2.8
168.11412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01564	0.4
51.02379	0.4
52.03150	0.5
53.00296	0.3
53.03940	1.8
54.92890	0.3
55.01868	1.8
55.05268	0.3
55.05508	4.8
56.05025	0.8
56.96565	10.5
57.03433	1.6
59.04974	0.6
59.06098	0.4
61.02914	0.7
65.03940	1.6
66.04708	1.7
67.05174	0.4
67.05502	3.5
68.02642	0.5
68.05004	0.7
68.99797	0.4
69.03423	3.9
69.06771	0.3
69.07064	2.7
69.70883	1.7
70.06581	0.9
71.04978	0.9
71.08621	0.3
72.08132	0.3
73.02930	1.6
77.03915	0.4
78.04709	21.3
79.05080	0.5
79.05486	9.2
80.05035	0.4
81.03415	3.2
81.04537	0.6
81.07055	3.7
82.06567	1.3
83.01328	0.4
83.04978	5.2
83.06092	0.9
83.08614	1.5
84.96018	0.4
85.02903	2.7
85.06529	0.3
85.07662	0.6
87.04446	0.3
90.01541	0.7
91.05481	3.9
91.74308	0.3
93.03392	1.1
93.07043	6.8
94.04179	1.3
94.06567	0.4
95.04964	6.2
95.06068	0.8
95.08600	1.9
96.05737	1.3
96.08092	0.4
97.02885	2.6
97.06526	2.0
97.07637	0.7
97.10159	0.6
98.07167	0.4
98.48383	0.3
98.97583	2.6
99.02026	0.4
99.04444	0.6
99.09158	0.3
103.05456	0.3
104.01257	0.3
105.03400	1.7
105.04509	0.7
105.07036	2.0
106.04172	6.7
107.04964	4.7
107.06030	0.3
107.08583	5.5
108.02061	0.3
109.02876	3.8
109.06519	3.2
109.07612	3.1
109.10119	0.9
110.01264	0.7
110.03661	0.4
110.07140	0.4
110.08400	1.5
111.04433	1.6
111.08049	1.9
111.09203	1.3
116.98602	1.9
119.01800	1.2
119.08523	0.3
119.78920	0.3
120.02090	0.3
120.34188	0.3
121.01647	1.0
121.02876	4.5
121.06502	2.8
121.07330	0.3
121.07622	0.3
121.08447	0.3
121.10142	4.7
122.03667	1.8
122.07127	1.0
123.04424	35.4
123.08044	1.5
123.09151	0.6
123.11686	0.6
124.05222	10.0
124.08693	1.2
125.05964	1.0
125.06905	0.3
125.08213	0.5
125.09620	2.0
127.07394	0.4
128.02292	1.0
128.98573	0.6
131.08585	0.9
134.03658	1.7
134.99651	1.2
135.04427	1.6
137.02267	0.6
137.05966	1.2
138.03122	0.8
139.03885	0.9
139.07568	1.4
139.11185	0.6
144.03217	0.5
146.37955	0.3
146.99611	0.8
149.02316	1.6
149.05959	1.6
149.09627	2.2
149.13239	0.3
150.05534	0.4
150.06598	0.3
150.10243	2.6
151.03909	6.7
152.04672	7.0
161.04851	1.7
167.03409	2.4
167.07028	100.0
167.10677	2.8
167.14291	1.0
168.04153	1.0
168.07404	3.7
179.05847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02397	0.4
53.00302	0.3
53.03939	1.9
54.03487	0.3
55.01868	1.9
55.05508	10.8
56.05036	0.7
56.05844	0.3
56.17306	0.3
56.96557	2.6
57.03432	1.0
57.07070	0.7
58.06585	0.3
59.05005	1.5
59.06121	1.1
60.04522	0.3
65.03937	3.2
66.04725	1.6
66.05029	0.3
67.05506	5.1
68.05032	1.2
68.99795	0.8
69.03422	4.7
69.07072	3.4
70.06582	1.2
71.04986	1.2
71.07375	0.3
71.42458	0.5
72.08159	0.7
73.02919	2.6
77.03937	1.0
78.04708	19.5
79.01865	0.3
79.05065	0.6
79.05486	10.6
80.05028	0.8
81.03410	2.5
81.04545	0.8
81.07054	6.1
82.04185	0.3
82.06563	1.5
83.04979	12.7
83.06084	1.0
83.08617	3.7
84.08134	0.4
85.02902	1.0
85.06545	1.1
85.07660	0.5
89.92656	0.2
90.60206	0.2
91.05475	6.6
91.68158	0.3
92.02652	0.4
93.03394	1.8
93.07043	9.6
94.04180	1.1
94.06561	0.9
94.07382	0.3
95.04962	7.7
95.06039	0.5
95.08611	2.9
96.04456	0.4
96.05768	1.4
97.02887	1.4
97.06537	3.2
97.07671	1.0
97.10165	0.9
98.07216	0.3
99.04444	0.6
99.09224	0.3
103.05460	0.8
105.03405	1.6
105.04523	0.9
105.07032	3.9
106.04179	5.7
107.04964	3.9
107.06081	0.4
107.08586	9.3
108.04464	0.6
108.05721	0.3
108.08884	0.3
109.02872	3.6
109.04855	0.4
109.06504	4.0
109.07635	4.7
109.10136	2.1
110.03691	0.4
110.07172	0.8
110.08429	2.3
111.04440	5.5
111.08071	3.8
111.09202	1.9
112.08846	0.8
116.98613	0.5
119.04927	2.3
119.08572	0.4
121.02864	35.1
121.06499	5.0
121.07454	0.5
121.07632	0.4
121.08442	0.8
121.10133	8.0
122.03738	2.0
122.06095	0.3
122.07148	1.3
123.04423	34.8
123.08072	2.7
123.09198	0.8
123.11709	1.0
124.05219	9.7
124.08717	1.1
125.06032	1.7
125.06828	0.3
125.08278	0.5
125.09639	3.6
126.05552	0.4
126.06587	0.4
131.08583	1.7
133.07544	0.3
134.03618	1.9
134.99675	0.5
135.04456	1.3
135.07967	0.3
137.02368	0.8
137.05971	1.5
137.08160	0.3
137.09622	0.6
138.03134	0.6
138.06660	0.3
139.02853	0.4
139.03900	1.5
139.07582	1.3
139.11131	1.4
140.07043	0.5
140.08127	0.3
144.03250	0.5
149.02377	1.9
149.05977	7.5
149.07120	0.6
149.09608	4.6
149.13211	0.6
149.81586	0.3
150.03090	0.4
150.05441	0.3
150.06551	0.5
150.10237	3.7
151.03896	6.6
152.04689	6.5
161.04930	0.5
167.03410	3.5
167.07031	100.0
167.10646	4.1
167.12917	0.9
167.14319	2.6
168.02921	0.4
168.04245	1.4
168.07405	3.0
168.11279	0.6
179.05968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	(R)-tropic acid
Peak:m/z	Relative Intensity
53.03941	3.5
55.01867	1.8
55.05518	1.9
56.96567	2.4
57.03408	0.5
57.07071	0.7
62.85655	0.4
65.03941	1.0
67.05513	2.3
68.99768	0.5
69.03437	2.0
69.03759	0.4
69.07072	2.1
71.01343	0.3
71.04991	1.0
71.57495	0.4
71.57866	0.4
78.04691	0.5
79.05501	5.6
81.03417	1.8
81.07046	2.4
83.04968	2.6
83.08607	0.7
84.96018	1.2
85.02902	0.6
90.95685	0.4
91.05478	10.7
93.03394	0.6
93.07040	15.7
94.07366	0.5
95.04967	7.9
95.08601	1.2
97.02882	1.5
97.06504	2.2
102.04648	0.4
102.94802	0.4
103.05465	10.5
105.04535	0.8
105.07030	1.2
107.04976	0.8
107.08586	4.6
109.02843	1.2
109.06509	1.3
110.03632	1.0
111.04447	1.5
111.08076	1.3
116.00233	0.4
117.95963	0.6
118.96745	0.4
121.01665	7.2
121.02464	0.7
121.06503	12.8
121.10140	3.7
122.06042	0.6
122.06883	0.6
123.04428	1.1
123.08034	0.7
125.05958	0.8
125.09647	0.8
126.05507	0.7
131.04919	4.7
131.08556	0.8
134.03661	0.6
139.02699	5.1
139.07553	0.7
140.03430	0.5
143.96777	0.7
144.03217	4.5
149.02512	1.9
149.05975	100.0
150.06331	3.5
162.04272	2.1
167.03413	2.2
167.04802	0.9
167.07051	6.0
167.08421	0.7
167.10654	7.3
167.14270	1.8
168.06577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02369	0.5
52.03148	0.2
53.03942	2.2
55.01867	1.7
55.05509	1.6
56.96568	1.2
57.03406	0.4
65.03935	1.2
66.04715	0.6
67.05495	1.7
68.05014	0.4
68.99764	0.8
69.03425	1.5
69.07061	1.0
70.06573	0.3
71.04988	0.3
73.02896	0.4
74.56355	0.2
77.03915	0.5
78.04706	11.6
79.05487	13.6
80.05785	0.2
81.03404	1.2
81.07052	3.8
82.06562	0.5
83.04966	1.3
83.06089	0.6
83.08604	0.4
85.02886	0.4
91.05476	10.5
92.05779	0.4
93.03393	0.9
93.07038	13.7
94.04166	0.5
94.07350	0.6
95.04363	0.4
95.04964	7.5
95.08582	0.8
96.05751	0.4
97.02879	0.6
97.06512	1.4
99.04424	0.3
103.05472	1.4
105.03363	1.0
105.04509	0.9
105.07018	1.1
106.04169	3.8
107.01308	0.4
107.04961	2.1
107.08589	2.7
109.02853	1.2
109.06535	1.4
109.07607	1.3
110.08416	0.6
110.74886	0.2
111.04435	1.6
111.08038	0.5
111.09204	0.5
114.04849	0.2
116.98602	0.3
121.01642	0.2
121.01952	0.4
121.02856	4.8
121.06494	9.3
121.08415	0.3
121.10141	2.2
122.03605	1.0
122.06025	0.2
122.07061	0.5
123.04421	19.0
123.08069	1.2
124.05228	5.9
124.08688	0.6
125.05956	0.4
125.09628	0.7
126.06582	0.3
131.08527	0.6
134.03613	0.8
135.04398	0.9
137.02348	0.3
137.05956	0.9
138.03125	0.3
139.03905	0.5
139.07491	0.8
139.11220	0.3
144.03238	0.3
149.02316	0.9
149.05939	2.1
149.09613	1.6
150.10252	1.0
151.03903	3.4
152.04681	3.5
153.05139	0.3
163.16006	0.2
165.05545	0.2
167.07024	100.0
168.04132	0.4
168.07384	3.2
174.12544	0.2
177.00630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	(R)-tropic acid
Peak:m/z	Relative Intensity
50.01585	0.2
50.36710	0.1
51.02359	0.3
51.21443	0.1
53.03706	0.2
53.03941	2.6
55.01865	1.5
55.05502	0.7
56.96545	0.5
57.07059	0.2
59.99090	0.2
65.03930	0.4
67.05493	0.6
69.03418	0.9
69.07053	0.5
71.57889	0.2
77.03917	0.7
78.04700	0.6
79.05062	0.2
79.05486	2.0
81.03403	0.7
81.07042	0.4
83.04961	0.4
83.08610	0.3
84.96020	0.3
91.05473	9.3
92.05774	0.4
93.03411	0.3
93.07037	12.5
94.07359	0.3
95.04961	7.2
95.08577	0.2
97.06527	0.2
102.04684	0.2
103.05460	10.8
104.04990	0.3
104.05756	0.4
105.04493	1.2
105.07027	0.5
106.04152	0.2
107.04943	0.6
107.08587	1.0
109.02862	0.2
109.06508	0.4
109.49148	0.2
110.11298	0.1
111.04438	0.2
119.04992	0.3
121.01646	1.3
121.02892	0.2
121.06496	13.9
121.10148	0.7
122.06825	0.4
123.04398	0.5
123.08060	0.2
124.05221	0.2
125.06018	0.3
125.09654	0.2
131.04918	4.4
134.03639	0.4
139.02721	0.6
139.07542	0.2
140.03386	0.2
143.96625	0.2
144.03268	0.7
149.05969	100.0
150.05190	0.3
150.06317	3.8
152.04713	0.2
162.04327	0.3
167.03398	0.4
167.07027	3.1
167.08429	0.3
167.10695	0.7
167.14339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	(R)-tropic acid
Peak:m/z	Relative Intensity
50.01588	0.2
51.02362	0.3
53.03944	2.4
55.01864	1.4
55.05486	0.5
56.96561	1.0
57.03413	0.2
64.75535	0.1
65.03912	0.4
67.01832	0.1
67.05495	1.0
68.99778	0.2
69.03423	1.2
69.07047	0.5
71.04972	0.3
73.96839	0.1
75.04605	0.1
77.03896	0.7
78.04697	0.5
79.05074	0.2
79.05489	2.9
81.03426	0.7
81.07061	1.0
83.04961	0.4
83.08643	0.2
91.05477	10.0
92.05775	0.3
93.03389	0.5
93.07039	12.5
94.07346	0.3
95.04964	7.2
95.08624	0.3
96.05264	0.2
97.02901	0.1
97.06534	0.3
102.04672	0.4
102.97041	0.1
103.05463	11.0
104.05786	0.3
105.04498	1.1
105.07017	0.6
106.04166	0.2
107.04957	1.3
107.08585	1.8
109.02840	0.3
109.06512	0.5
111.04408	0.4
111.08064	0.3
117.06967	0.2
121.01644	0.5
121.06499	14.5
121.10131	0.6
122.06050	0.2
122.06869	0.4
123.04412	1.0
124.05180	0.4
125.05980	0.4
125.09596	0.2
127.56487	0.1
131.04921	5.0
134.03624	0.5
134.13036	0.2
135.08060	0.2
137.32545	0.1
138.46690	0.1
139.02649	0.2
139.07545	0.3
144.03212	0.2
149.05974	100.0
150.05188	0.3
150.06322	3.3
152.04697	0.2
162.04318	0.2
166.34543	0.1
167.03374	0.5
167.07047	4.9
167.08394	0.2
167.10683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.15977	0.2
53.03922	0.2
64.27046	0.2
70.49744	0.5
79.05482	1.8
91.05446	1.0
93.07046	2.9
95.04951	0.4
101.51845	0.1
103.05466	14.1
104.05782	0.4
107.04967	2.6
117.54630	0.2
118.06509	0.2
120.08102	100.0
121.07639	0.1
121.08443	2.8
131.04922	1.8
134.82677	0.2
149.06032	0.4
154.46304	0.2
166.08614	0.7
167.07101	0.2
167.73621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	(R)-tropic acid
Peak:m/z	Relative Intensity
50.01608	0.2
51.02385	0.5
53.03944	2.7
55.01868	1.2
55.05510	0.6
65.03941	0.7
66.04720	0.3
67.05495	0.8
68.99779	0.3
69.03417	1.3
69.07070	1.1
69.32842	1.2
69.33270	0.7
69.66368	0.2
77.03931	0.7
78.04707	4.1
79.05058	0.3
79.05487	3.6
81.03416	0.8
81.07049	1.2
83.04977	0.6
83.08624	0.3
84.96078	0.2
91.05473	9.6
92.33430	0.2
93.03394	0.7
93.07035	13.7
94.04197	0.4
94.07411	0.2
95.04962	8.3
95.08607	0.8
96.05777	0.3
97.02904	0.2
97.06533	0.7
98.21452	0.4
102.04690	0.3
103.05459	10.8
104.05775	0.4
105.03388	0.3
105.04521	1.4
105.07043	0.7
106.04164	1.4
107.04961	1.8
107.08578	2.2
109.02872	0.4
109.06522	0.8
109.07633	0.3
109.10139	0.3
111.04468	0.3
111.08070	0.5
121.01640	0.3
121.02850	0.6
121.06498	13.7
121.10122	1.4
122.03667	0.4
122.06840	0.4
123.04425	6.7
123.05312	0.4
123.08045	0.6
123.11718	0.4
124.05228	2.0
125.06017	0.3
125.09653	0.4
131.04915	4.5
132.05249	0.2
134.03604	0.9
135.04385	0.5
138.03069	0.2
139.02583	0.2
139.07552	0.7
144.03220	0.2
146.77711	0.2
148.80446	0.2
149.05969	100.0
150.06317	3.6
150.10167	0.2
151.03906	1.3
152.04646	1.4
162.04317	0.2
167.03365	0.9
167.07030	19.6
167.10703	0.9
167.14284	0.4
167.48055	0.2
168.04170	0.2
168.07439	0.5
170.01961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.89613	0.7
53.03932	3.9
55.01863	3.5
55.05509	9.6
56.05024	1.6
56.96547	2.6
57.03423	3.5
57.07054	3.1
58.06589	1.0
59.06105	0.8
65.03927	4.6
67.05499	34.3
68.05021	1.4
68.05842	0.9
69.03429	11.0
69.04510	1.1
69.07065	9.7
69.75385	5.0
70.06585	2.2
71.04978	2.3
77.03919	1.1
79.05485	21.1
80.04991	2.1
81.03419	8.7
81.04528	2.1
81.07053	39.2
82.06578	1.8
82.07378	1.3
83.04987	7.2
83.06078	3.1
83.08601	3.3
91.05476	36.4
92.05808	1.6
93.06479	1.2
93.07038	21.0
93.07613	1.1
94.04164	1.7
94.06535	0.8
95.04962	21.4
95.06034	1.3
95.08602	32.9
96.08957	0.8
97.06507	2.5
97.07654	1.5
101.00865	1.6
103.05467	4.1
104.06313	0.9
105.03407	1.4
105.07025	24.9
107.04963	5.2
107.06055	1.6
107.08584	19.5
108.04504	1.2
108.08904	1.2
109.02874	3.7
109.06506	30.7
109.07622	1.8
109.10150	23.9
110.07272	1.6
110.09747	1.0
110.10488	1.1
111.09158	0.9
115.96398	0.9
117.07018	4.8
119.01920	22.8
119.04932	9.5
119.08574	41.0
119.95073	1.0
120.02007	2.0
120.08088	8.0
120.08912	2.2
121.06491	4.0
121.07619	1.0
121.10134	24.7
122.03647	1.5
122.07260	14.1
122.10437	1.2
123.04445	5.2
123.06680	1.4
123.08063	23.2
123.11709	8.7
124.05094	1.0
124.08715	4.4
125.05907	1.0
127.07561	0.8
129.06938	0.9
133.02795	4.5
133.06488	0.8
135.08070	3.0
136.07565	1.3
137.02985	13.7
137.05984	10.8
137.09605	100.0
137.13229	2.9
138.03072	1.1
138.05508	2.0
138.06503	1.3
138.09074	1.6
138.10001	3.6
142.03485	12.4
142.96703	3.9
143.03589	1.3
147.03360	1.4
147.04408	13.5
147.08067	6.5
147.11685	13.3
148.07533	1.2
148.08685	3.1
150.10367	4.4
160.04539	5.3
163.27623	0.8
165.01865	4.8
165.05550	10.4
165.06773	1.6
165.07820	2.2
165.09097	40.6
165.11429	4.1
165.12738	51.4
166.04965	3.6
166.07327	0.8
166.08636	3.0
166.13103	2.6
181.04890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.10073	1.2
53.03947	8.8
55.01871	2.4
55.05513	9.4
56.05016	1.9
56.72797	1.1
57.03428	1.9
57.07062	4.9
59.05004	1.9
65.03922	4.6
67.05499	36.9
68.05000	2.1
68.99804	1.1
69.03085	2.2
69.03428	31.9
69.07061	15.1
70.06578	2.2
71.04987	2.8
71.58482	2.2
79.05490	21.4
80.04997	2.6
80.05821	1.5
81.03417	27.7
81.04517	1.6
81.07053	48.2
82.07375	1.4
83.04971	9.0
83.06076	1.4
83.08603	2.3
85.06516	1.5
89.87932	1.1
91.05471	30.2
92.05789	2.4
93.07033	17.2
94.04214	1.3
94.06524	1.2
95.04960	29.2
95.08599	41.5
96.05289	2.7
97.06522	3.1
97.07638	1.9
103.05449	3.5
105.06386	2.0
105.07029	24.5
106.07330	1.9
107.04937	4.8
107.06075	2.2
107.08583	20.1
108.05701	1.5
109.02866	2.0
109.06516	31.1
109.08467	1.2
109.10154	15.5
110.07246	5.0
117.07014	4.0
119.01911	13.0
119.04902	7.7
119.08569	33.9
120.08082	7.6
120.08895	2.0
121.06483	2.8
121.10139	15.4
122.07258	6.2
123.04400	3.9
123.08060	41.8
123.11687	15.9
124.03905	1.5
124.08674	3.3
133.02817	4.3
135.08022	2.4
136.07561	2.4
137.03009	6.9
137.05994	10.0
137.07945	15.4
137.09593	30.5
137.13225	4.3
138.05513	1.3
138.09085	2.8
142.03514	7.9
142.96701	2.2
147.04382	9.7
147.08102	6.0
147.11678	14.5
148.08627	2.6
160.04539	4.5
163.03897	1.2
165.01846	4.4
165.05499	12.2
165.07768	2.4
165.09090	14.9
165.11494	4.7
165.12737	100.0
166.04965	4.0
166.08624	3.5
166.13080	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03946	7.9
53.98569	0.6
55.01857	1.9
55.05508	7.9
56.05033	1.4
57.03432	1.9
57.07069	3.9
57.68987	0.7
59.04981	2.4
65.03917	2.5
67.05500	26.2
68.05013	1.5
68.05799	0.8
69.03429	31.3
69.07069	10.6
69.54835	4.5
69.55244	1.1
70.06584	1.8
71.04996	1.4
71.08589	0.7
79.05071	0.9
79.05495	15.0
80.05003	1.0
80.05831	0.7
81.03416	28.0
81.04501	1.4
81.07053	35.9
82.06564	1.0
83.04979	6.0
83.06075	2.2
83.08114	0.7
83.08617	1.7
83.93003	0.7
85.06503	1.0
91.05478	20.0
93.04529	0.7
93.07038	12.8
94.04164	0.9
95.04970	23.6
95.08601	32.7
97.06518	2.2
98.21432	1.3
101.00874	1.4
103.05457	2.6
105.04510	1.0
105.07027	21.2
106.07334	0.8
107.04949	2.3
107.06027	1.5
107.08586	13.7
108.04498	1.0
108.05676	1.4
109.02881	0.8
109.06508	26.6
109.07609	1.0
109.10136	11.3
110.07269	3.1
111.08067	1.1
117.07005	3.0
119.01916	12.4
119.04929	6.9
119.08578	25.4
120.02126	1.1
120.05494	0.9
120.08109	6.0
121.06486	1.3
121.09328	1.0
121.10139	10.6
122.03667	1.0
122.07236	5.6
123.04408	3.1
123.08067	30.6
123.10816	1.0
123.11699	16.6
124.08658	2.3
127.07540	0.8
133.02794	1.9
135.08020	2.2
135.23232	0.9
136.08788	1.0
137.03006	5.9
137.04997	1.0
137.05963	5.5
137.09608	16.7
137.13234	3.9
138.03075	0.9
138.09109	1.1
138.10129	0.9
142.03482	6.7
142.96671	1.0
145.10152	1.1
147.04431	8.8
147.08076	4.3
147.09041	0.9
147.11691	10.2
148.08685	2.0
148.11980	0.9
150.10361	1.4
153.18585	0.8
160.04535	3.0
163.03865	0.7
165.01833	1.7
165.04364	0.8
165.05539	6.2
165.07785	1.4
165.09087	12.6
165.12744	100.0
166.04993	2.2
166.08546	1.0
166.13150	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03929	5.2
55.01857	3.4
55.05315	1.1
55.05507	13.6
56.96565	1.7
57.03437	8.2
57.07060	6.3
58.06626	1.4
58.87476	1.2
59.04982	3.8
65.03934	4.6
67.05502	52.9
68.05019	3.8
69.03429	16.1
69.07062	13.5
70.06571	3.2
71.04971	3.8
71.15285	3.3
79.05487	28.0
80.05010	2.2
80.49280	1.2
81.03419	7.4
81.07051	58.0
82.06532	1.9
82.07382	1.8
83.04960	6.1
83.06086	2.1
83.08595	5.3
91.05478	40.9
93.07036	15.8
94.04185	1.4
95.04964	75.1
95.08604	44.0
96.08910	1.5
97.06548	2.3
97.07653	1.7
101.00813	1.6
103.05458	5.7
105.07026	35.5
107.04951	9.5
107.08593	56.6
108.05711	3.9
108.08932	2.7
109.06512	48.9
109.07639	2.3
109.10138	10.1
110.07261	2.7
111.09233	1.5
117.07014	8.3
119.01912	10.2
119.04935	6.0
119.05911	1.2
119.08576	64.8
120.08123	7.3
121.06496	3.4
121.07478	1.9
121.10140	16.7
122.07252	2.6
123.04446	2.7
123.08061	56.6
123.11697	30.1
124.08717	4.2
129.07005	2.6
132.05682	7.0
133.02849	2.1
135.11653	1.9
137.02982	6.9
137.05998	6.7
137.09599	13.8
137.13254	7.7
142.03497	5.3
147.04373	7.8
147.08040	24.4
147.11691	16.3
148.08533	2.2
160.04518	1.9
165.05388	5.4
165.07762	3.1
165.09090	17.0
165.11545	3.5
165.12750	100.0
166.13065	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.01572	1.6
53.03943	3.9
55.01871	8.5
55.05509	13.8
56.96558	11.2
57.03436	8.2
57.07075	1.8
60.97440	1.6
65.03932	4.4
67.05504	65.2
67.40508	1.6
69.03426	11.7
69.07066	12.8
70.73920	4.9
71.04984	4.2
71.42108	1.5
72.67106	1.7
74.48782	1.6
79.05492	51.7
80.62930	1.7
81.03406	5.0
81.07053	95.5
82.07401	2.3
82.99805	1.6
83.04978	13.9
83.08588	1.9
83.15176	1.7
83.93038	2.4
85.06529	7.4
91.05475	62.3
93.06478	3.7
93.07038	51.4
95.04960	28.0
95.08605	33.2
97.06525	13.6
101.00890	8.7
101.01493	1.6
103.05473	2.8
105.07027	89.5
106.07354	1.8
107.04970	3.6
107.08588	33.7
109.02911	2.3
109.06505	18.6
109.10140	18.3
115.96451	2.5
117.06993	4.8
119.01919	67.5
119.04916	6.2
119.08574	75.5
120.02025	4.9
120.08080	6.1
120.08891	3.2
121.06499	3.4
121.10139	66.3
122.07277	5.2
122.10477	3.3
123.04426	4.0
123.08080	15.7
123.11709	9.7
124.02416	2.1
133.02840	3.2
137.01984	2.8
137.02968	45.5
137.04752	1.6
137.04916	1.6
137.05983	4.8
137.09608	21.3
137.13240	2.8
137.98358	2.0
138.03018	3.6
142.03494	38.1
142.04588	2.5
142.96692	11.1
143.03636	3.7
143.05415	6.2
147.04367	9.1
147.08047	5.2
147.11685	100.0
148.12025	3.6
152.05917	6.7
160.04564	18.5
165.01845	5.4
165.05392	9.9
165.07806	3.6
165.09090	32.4
165.12746	96.0
166.04955	4.3
166.08609	6.0
166.13087	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03935	2.3
55.01866	6.1
55.05275	0.8
55.05515	9.8
56.96565	7.1
57.03434	9.0
57.07068	2.1
60.78072	0.7
65.03925	3.3
67.05502	51.0
68.05820	1.6
69.03426	8.6
69.07066	13.2
70.57037	1.3
70.57405	2.6
71.05003	3.8
77.03926	1.0
79.05489	50.4
80.04997	1.0
80.34461	0.9
80.85981	0.8
81.03404	2.1
81.07052	100.0
82.07366	2.6
83.04980	11.4
83.08614	1.3
85.06540	8.1
91.05478	47.3
92.05793	1.9
93.07041	44.4
93.20497	0.9
94.07359	1.5
95.04955	16.4
95.08602	29.0
96.98032	0.8
97.06529	15.2
99.08074	2.1
101.00881	2.3
103.05461	1.9
105.07025	78.5
106.07336	3.0
107.04935	1.5
107.08585	30.2
108.08931	1.9
109.05802	1.5
109.06516	25.4
109.10147	5.0
116.03089	0.9
117.06974	2.8
118.03478	1.1
119.01061	0.8
119.01917	23.2
119.04934	2.3
119.08575	62.1
119.79694	0.9
120.08114	1.1
120.08907	3.0
121.06528	0.9
121.10133	50.6
122.10478	2.1
123.08059	14.7
123.11699	8.0
127.07474	1.2
136.08849	0.8
137.02979	11.0
137.05981	1.9
137.09647	4.3
137.13245	1.8
142.03494	12.2
142.96718	2.2
143.03665	1.8
145.10109	1.9
147.04379	1.9
147.11679	82.8
148.12012	3.8
160.04544	5.3
161.01129	0.9
165.01724	0.9
165.05405	2.4
165.09097	3.3
165.12743	83.6
166.05000	1.3
166.13091	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.29049	0.5
51.02374	0.6
53.03944	2.4
55.01871	4.3
55.05509	10.2
55.58909	0.7
56.96577	3.7
57.03433	8.5
57.07077	1.8
59.04985	0.8
65.03932	2.1
67.05503	53.1
68.05827	1.4
69.03427	7.0
69.07063	11.0
70.73919	2.0
71.04982	3.3
79.05489	48.4
79.84900	0.6
80.05833	0.6
81.03407	1.0
81.07053	93.2
82.07378	2.2
83.04977	12.7
83.08620	1.5
84.05298	0.7
85.06541	7.6
91.05479	50.7
92.05802	0.7
93.07040	45.8
94.07371	2.2
95.04967	12.6
95.08601	28.6
97.06523	12.5
98.06841	0.6
99.08091	1.9
103.05453	2.0
105.07027	87.8
106.07343	2.4
107.05002	1.5
107.08589	31.1
109.05789	1.4
109.06513	22.6
109.10143	6.1
117.07005	2.7
119.01935	5.4
119.04948	1.2
119.08578	69.9
120.02023	0.7
120.08919	2.2
121.10138	66.1
122.07267	1.4
122.10478	2.6
123.06689	0.8
123.08064	14.0
123.11700	9.9
127.07559	1.2
133.07593	0.6
134.04889	0.7
136.08867	0.9
137.02930	1.8
137.05977	1.1
137.09631	9.0
137.13248	2.0
142.03485	2.2
143.05412	1.6
145.10120	2.2
147.11682	100.0
148.12004	5.2
155.41122	0.7
161.01302	0.6
165.05467	2.8
165.09097	7.4
165.12750	84.1
166.13095	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.5
51.02372	0.9
53.03941	4.0
54.03476	0.5
55.01866	2.9
55.05512	11.9
56.96577	0.6
57.03444	0.8
57.07081	5.0
65.03939	2.2
67.05503	5.5
68.99797	1.0
69.03444	3.1
69.07066	35.7
70.07391	0.6
77.03931	2.0
79.05492	34.9
80.05003	0.8
80.05827	1.3
80.93160	0.4
81.03415	1.8
81.04511	0.9
81.07055	11.8
83.04990	0.8
83.08619	14.0
84.12558	0.5
89.03915	15.5
90.04271	0.6
91.05477	28.0
92.02630	2.2
92.05792	1.0
92.06281	0.9
93.07040	44.8
94.07384	1.1
95.04963	19.9
95.06101	1.3
95.08604	12.0
95.09170	1.0
96.05286	1.0
97.07597	0.5
103.05466	27.2
104.05754	0.9
105.03394	5.1
105.04507	3.7
105.07029	35.7
106.06538	1.5
106.07244	0.8
106.07885	1.1
107.04960	18.7
107.08590	100.0
108.05293	0.6
108.05545	0.5
108.08889	2.3
108.09409	2.6
109.06516	4.9
109.10149	2.2
115.05469	2.1
117.03370	10.9
117.05744	1.1
117.07012	6.3
119.04956	4.1
119.06066	1.8
119.08572	13.2
120.05692	0.9
120.09402	0.6
121.06509	4.2
121.10136	91.8
122.07164	2.0
122.10390	3.0
123.08053	5.1
130.06554	2.5
130.07780	2.5
131.04924	21.8
132.05301	0.5
132.08083	2.2
133.02844	13.2
133.06497	2.0
133.07500	1.0
133.10123	2.2
134.10901	1.2
135.04411	32.5
135.08028	6.0
135.11688	25.1
136.04778	1.9
136.07568	1.2
136.08665	1.1
136.12035	0.7
137.09581	0.6
138.03148	0.6
145.02863	6.6
145.03929	0.6
145.06461	2.5
145.10121	9.1
146.07065	1.1
146.10483	0.5
147.04402	0.8
147.08038	1.1
148.05176	1.4
148.07724	0.7
148.08827	4.9
148.12474	0.8
163.03899	65.0
163.07542	28.0
163.09784	3.2
163.11150	34.8
163.14813	26.6
164.04347	3.0
164.06900	0.9
164.08095	1.0
164.11533	1.3
164.15222	1.0
175.15227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02372	0.9
53.00300	1.1
53.03950	7.0
55.01862	3.5
55.05510	11.8
57.03426	0.9
57.07072	4.9
65.03936	2.2
67.05511	7.0
68.05006	1.2
68.99773	0.7
69.03416	4.7
69.07066	30.4
71.01329	0.6
71.04999	1.0
71.57517	0.9
77.03927	1.5
79.05491	40.1
80.05015	1.0
81.03413	2.1
81.04555	1.4
81.07050	15.4
82.06586	1.3
83.04981	1.3
83.08620	14.1
84.08156	0.9
89.03912	20.5
90.04260	1.3
91.05477	29.9
92.02636	2.8
92.05779	0.9
92.06284	1.3
93.07040	45.1
93.23013	0.6
94.06534	0.6
94.07370	1.2
95.04362	1.4
95.04964	24.3
95.05566	1.3
95.06091	2.0
95.08604	12.1
96.05293	0.9
96.06848	0.9
96.52711	0.6
97.07661	1.1
100.02509	1.0
103.05461	43.5
104.05763	1.9
105.03413	6.3
105.04499	4.6
105.07023	34.6
106.06557	1.6
106.07324	0.9
107.04203	1.3
107.04952	26.8
107.08587	100.0
108.00706	0.6
108.05325	1.0
108.08187	1.3
108.08927	3.1
109.06518	4.1
109.07658	0.8
109.10161	1.9
115.05450	3.5
117.03373	15.3
117.05766	1.5
117.07012	10.4
118.03564	1.4
119.04945	4.7
119.06091	1.6
119.08574	14.0
119.09354	1.0
120.05711	1.9
120.08053	0.7
120.09359	0.7
121.06516	6.6
121.10139	94.5
122.07141	2.5
122.09665	1.6
122.10503	2.0
123.08022	5.0
128.06221	0.8
129.07016	1.0
130.06474	3.1
130.07768	3.8
131.04924	36.2
132.05235	1.4
132.08096	3.6
133.02834	16.2
133.06496	3.8
133.07602	1.9
133.10117	2.6
134.10976	1.0
135.04413	43.9
135.08047	9.0
135.11682	28.0
135.68375	0.7
136.04779	2.4
136.07567	2.5
136.08643	2.1
138.03108	1.3
143.08554	1.1
145.02872	10.2
145.03990	1.7
145.06485	2.5
145.10118	12.4
146.03215	0.9
146.07072	0.9
147.08055	2.2
147.09099	0.7
148.05194	1.8
148.08817	7.0
163.03897	92.4
163.07552	36.0
163.09810	3.9
163.11159	54.1
163.14819	27.0
164.04364	5.5
164.07033	2.9
164.08163	1.1
164.09229	0.6
164.11533	2.3
164.15189	1.0
165.24283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03942	5.2
55.01868	1.7
55.05510	13.9
57.03441	1.3
57.07082	6.4
63.02379	0.7
65.03940	2.7
67.05502	4.4
68.05028	1.0
68.99786	0.6
69.03423	2.6
69.07067	36.6
69.36465	4.6
70.07382	0.8
71.08643	0.8
77.03934	1.5
79.05492	30.5
80.05044	0.8
80.05836	0.5
81.03417	0.6
81.04559	0.7
81.07054	9.4
82.05361	0.7
83.08617	13.3
85.02923	0.9
89.03916	16.0
90.04259	1.0
91.04903	1.2
91.05476	24.0
92.02607	1.2
92.05804	1.1
92.06313	0.9
93.03384	0.7
93.07042	47.0
94.07375	1.7
95.04974	13.7
95.06066	1.6
95.08610	10.0
97.07639	0.9
103.05463	19.7
104.05785	0.7
105.03406	2.6
105.04523	2.2
105.07029	30.0
106.06562	0.8
106.07894	0.7
107.04958	16.4
107.08591	100.0
108.08813	1.3
108.09403	2.5
109.06499	5.3
109.07642	0.8
109.10161	2.0
110.33351	0.6
115.05453	2.4
117.03370	9.8
117.05743	0.8
117.07014	6.6
118.03754	0.7
119.04965	2.9
119.06062	1.5
119.08579	15.6
120.05685	0.7
120.08861	0.7
121.06539	5.0
121.10140	94.7
122.07175	1.9
122.10397	3.3
123.08045	4.8
129.07042	0.8
130.06567	1.4
130.07802	3.0
131.04930	16.6
132.05209	0.8
132.08086	1.5
133.02861	8.5
133.06528	2.3
133.07579	1.1
133.10112	1.6
134.03261	0.7
134.10905	1.2
135.04414	29.7
135.08043	5.2
135.11687	25.7
136.04755	1.8
136.07570	5.3
136.08510	1.0
136.12111	1.0
137.09657	0.6
143.08496	0.7
143.68724	0.6
145.02870	6.1
145.03912	0.8
145.06474	2.1
145.10117	8.8
146.07060	0.8
147.08057	1.6
147.09149	0.7
148.05272	0.7
148.08824	5.2
148.12477	0.9
155.19080	0.6
163.03902	55.8
163.07549	13.0
163.09831	2.9
163.11163	42.4
163.13385	1.2
163.14815	25.3
164.04326	3.3
164.06897	0.7
164.08076	0.9
164.09251	1.0
164.11559	2.2
164.15196	1.3
175.52432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02378	0.9
53.03945	4.9
55.01868	2.0
55.05510	11.6
57.03444	1.1
57.07079	3.4
63.02372	0.9
65.03942	2.5
66.05067	0.6
67.05501	6.6
69.03426	2.8
69.07067	28.7
70.06732	3.1
71.04977	0.8
76.43142	0.6
77.03925	1.7
79.05489	32.2
80.05819	0.9
81.03416	1.5
81.04511	0.9
81.07056	10.7
83.05022	1.2
83.08616	9.4
89.03914	18.2
90.04232	0.8
91.05478	28.2
92.02608	2.1
92.05781	0.9
93.07043	42.5
94.07368	1.6
95.04964	15.4
95.06036	0.9
95.08611	9.2
96.05282	0.8
97.07587	0.8
103.05463	18.2
104.05818	0.9
105.03384	2.2
105.04517	2.7
105.07030	25.9
106.07304	0.7
107.04956	22.2
107.08591	79.3
108.05221	0.6
108.08105	1.8
108.08872	1.8
108.09441	2.0
109.06518	4.5
109.10155	1.9
112.20625	0.6
115.05459	2.3
117.03377	12.4
117.05756	1.1
117.07005	8.8
119.04939	4.9
119.05968	1.1
119.08585	11.5
120.08110	0.8
120.08902	0.8
121.06506	6.2
121.10139	72.9
122.07119	1.9
122.10472	2.2
123.08051	3.5
126.05526	1.0
126.56780	0.6
128.06168	0.6
130.06528	2.4
130.07738	3.6
131.04922	15.5
132.05222	1.0
132.08086	1.7
133.02841	7.3
133.06505	4.5
133.07506	0.8
133.10115	1.2
134.05977	0.6
134.10909	0.9
135.04414	33.2
135.08051	7.0
135.11690	19.3
136.04739	1.6
136.07581	36.7
136.08511	1.4
136.11983	0.8
138.03101	0.7
138.84221	0.6
140.07059	1.5
143.08571	1.4
145.02855	7.1
145.03902	1.0
145.06497	2.6
145.10110	14.3
146.10446	1.4
147.08040	4.7
148.08829	14.6
163.03902	59.9
163.07559	14.3
163.11169	100.0
163.14812	22.0
164.04341	3.2
164.06937	4.3
164.11545	6.1
164.15221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02386	0.8
51.90183	0.5
52.95543	0.5
53.03944	4.7
55.01863	3.0
55.05509	11.2
57.03435	2.0
57.07081	4.6
59.95481	0.5
63.02376	0.7
65.03936	2.5
66.64518	0.5
67.05505	4.8
68.05017	0.8
69.03422	5.3
69.04572	0.6
69.07065	25.6
69.39510	1.3
69.39921	4.9
69.99173	0.5
77.03930	1.6
79.00127	0.5
79.05489	32.0
80.05039	0.6
80.05830	0.5
81.04536	1.3
81.07056	13.0
83.04987	0.8
83.08617	7.1
85.02887	0.6
89.03913	17.4
90.04218	0.7
90.23867	0.5
91.05476	36.7
92.02644	1.5
92.05791	1.0
93.07037	44.6
93.76831	0.6
94.07352	1.5
95.04968	15.1
95.06064	1.6
95.08605	11.3
96.05294	0.6
102.96867	0.7
103.05463	58.4
104.05811	2.2
105.03387	2.2
105.04520	3.0
105.07024	30.5
106.06586	0.8
106.07878	1.0
107.01326	0.5
107.04954	14.5
107.08588	100.0
108.05582	0.8
108.08171	1.0
108.08929	2.2
108.09509	0.8
109.06525	4.9
109.07657	0.7
109.10173	2.2
115.05453	2.9
116.04987	5.1
117.02615	0.9
117.03378	11.6
117.05733	1.8
117.07005	9.7
118.03733	0.8
118.06529	2.0
119.04921	1.3
119.06071	1.8
119.08572	15.4
120.05623	0.7
120.09402	1.2
121.06496	6.1
121.10137	63.5
122.07153	2.5
122.09731	0.6
122.10504	2.5
123.05580	0.7
123.08018	4.7
128.06244	0.8
129.07048	1.2
130.06552	1.7
130.07782	6.2
131.04919	50.4
132.05269	2.4
132.08099	1.8
133.02853	8.8
133.06525	1.0
133.07616	0.9
133.10112	1.7
134.10878	0.8
135.04411	29.1
135.08038	6.1
135.11685	35.0
136.04759	1.7
136.07578	5.6
136.08701	2.2
136.12025	1.7
137.09569	1.1
143.08589	1.3
145.02849	7.2
145.03889	1.0
145.06487	3.6
145.10112	18.5
146.07074	1.0
146.10423	0.7
147.04398	0.7
147.08049	1.4
148.08838	0.9
163.03899	45.3
163.07545	17.7
163.09796	4.3
163.11151	29.4
163.14819	20.6
164.04306	3.2
164.07024	9.9
164.08176	0.9
164.11635	1.4
164.15225	0.8
170.51129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02387	0.4
53.03929	2.3
54.82545	0.4
55.01869	0.7
55.05511	7.9
57.03453	0.4
57.07069	1.3
63.47755	0.4
65.03934	1.4
66.18455	0.4
67.05508	4.9
69.03428	1.2
69.07066	20.8
69.99619	1.8
70.07388	0.6
77.03925	0.9
79.05493	20.0
80.05822	0.5
81.03394	0.5
81.07053	21.5
82.07388	0.6
83.08613	5.4
89.03902	3.4
91.05476	15.2
93.07040	38.9
94.07365	0.9
95.04967	6.6
95.06065	0.5
95.08604	18.5
103.05457	6.5
105.03408	0.7
105.04514	1.1
105.07028	11.0
106.07298	0.5
107.04960	5.2
107.08591	100.0
108.08221	0.6
108.08873	2.9
109.06512	3.0
109.10154	1.5
115.05440	0.8
117.03362	2.1
117.07021	2.5
119.04987	0.6
119.06065	1.5
119.08575	4.4
121.06540	1.8
121.10141	32.6
122.07160	0.6
122.10492	0.8
123.08044	1.6
126.66334	0.3
130.07791	1.3
131.04921	4.6
131.62074	0.4
132.08116	0.7
133.02856	2.7
133.06519	0.7
133.07535	0.4
133.10094	0.4
135.04413	7.0
135.08029	2.2
135.11688	13.4
136.07565	3.7
136.08589	0.6
136.12003	0.5
143.08504	0.5
145.02840	1.6
145.06454	0.7
145.10118	4.2
147.08028	0.9
148.05225	0.6
148.08842	1.7
158.96217	0.4
163.03897	13.7
163.05238	0.7
163.07573	3.2
163.09857	1.3
163.11168	18.4
163.14816	26.7
164.04300	0.8
164.07082	0.7
164.11543	1.2
164.15164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03705	0.8
53.03944	10.2
54.04273	0.8
55.01864	1.7
55.05509	6.5
55.28094	0.5
57.03395	0.6
57.07066	1.4
61.02924	3.2
65.03923	1.4
67.05503	12.7
69.03401	0.7
69.07066	5.3
71.58063	0.9
73.02923	0.7
77.03915	2.1
79.05492	39.6
80.05019	0.6
80.05813	1.0
81.03409	1.9
81.07054	21.2
81.12788	0.6
82.07401	0.8
83.08611	2.3
85.02905	1.6
89.03907	1.6
91.05474	11.6
92.02623	4.7
93.07040	32.5
94.07361	1.5
95.04965	29.9
95.08603	21.3
97.02898	0.7
100.02468	1.7
103.05475	4.5
105.03382	6.6
105.04478	5.4
105.07030	11.2
105.07703	1.2
106.06527	1.1
107.04950	8.1
107.08590	25.7
108.04446	0.6
109.06496	1.2
109.10148	1.4
115.01399	0.6
115.05451	1.4
117.03379	1.9
117.05767	0.7
117.07028	3.2
118.03515	1.7
118.06557	0.8
119.04934	2.3
119.08577	3.2
120.05717	0.7
121.06487	2.6
121.10141	30.3
122.09655	0.8
122.10481	0.7
123.08089	0.6
125.96148	0.7
130.06514	2.3
130.07774	0.6
131.04953	2.3
132.08052	2.3
133.02849	28.0
133.06491	0.8
133.10204	0.7
134.03215	1.4
135.04410	36.2
135.08037	2.5
135.11693	4.9
136.04755	1.6
136.07483	1.0
138.03134	1.7
139.03401	0.7
145.02849	1.1
145.03932	0.7
145.06554	1.2
145.10138	4.3
163.03899	100.0
163.07538	15.8
163.11162	13.0
163.12367	1.3
163.14816	14.5
164.04309	7.0
164.07002	1.0
179.96941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.9
51.02369	1.4
53.03944	6.3
54.03473	1.0
55.01870	3.4
55.05515	8.8
57.03420	1.9
57.07093	3.4
57.07322	0.8
59.37783	0.7
60.87251	0.6
63.02357	1.0
65.03932	2.9
67.05506	6.3
68.05011	1.4
68.99792	0.9
69.03429	3.7
69.07069	35.0
69.58304	1.2
69.58710	3.9
70.07404	0.7
70.91032	0.6
71.04993	0.9
77.03919	2.1
79.05492	34.0
80.05020	1.4
80.05822	1.5
81.03400	1.3
81.04536	2.1
81.07053	12.3
82.05306	1.4
83.05006	0.9
83.08614	6.2
85.02892	2.3
89.03918	63.1
90.04243	2.5
91.05479	28.7
92.02631	2.3
92.05810	0.8
93.07041	38.3
94.06540	0.8
95.04971	17.1
95.06091	2.7
95.08594	12.0
96.06863	1.1
97.07635	1.0
102.04673	1.8
103.05473	46.8
104.05804	2.6
105.03393	2.7
105.04519	3.8
105.07032	21.0
106.06594	1.3
106.07279	0.8
107.04961	25.3
107.06088	1.7
107.08598	88.8
108.05612	2.0
108.08201	0.8
108.08910	3.3
109.06524	4.0
109.07599	1.3
109.10170	2.2
115.05463	3.2
117.03382	39.8
117.05714	1.6
117.07014	8.7
118.03699	2.4
118.06565	1.0
119.04923	3.4
119.05950	1.6
119.08585	9.0
120.05528	1.1
121.02877	1.1
121.06504	5.9
121.10143	46.1
122.05999	1.0
122.07157	5.1
122.10469	2.2
123.08013	4.3
130.04149	1.0
130.06526	2.1
130.07796	3.7
131.04932	44.2
132.05289	2.2
132.08089	1.9
133.02856	10.9
133.06419	1.1
133.10123	1.8
135.04422	86.6
135.08031	6.4
135.11693	17.8
136.04784	4.5
136.07567	7.7
136.08678	3.3
145.02859	27.8
145.03946	2.2
145.06477	5.3
145.10121	10.3
146.03209	1.8
146.07100	1.5
147.08011	0.9
148.05203	4.4
148.08841	0.9
148.12505	1.0
163.03909	100.0
163.07552	17.9
163.09787	7.3
163.11176	14.7
163.12383	1.2
163.14818	24.3
164.04330	5.8
164.07011	1.7
164.08211	1.5
164.15111	1.0
172.63142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02372	0.9
53.03935	4.3
55.01870	2.4
55.05259	1.1
55.05510	12.3
57.07071	5.0
62.87510	0.6
63.02388	1.1
65.03936	2.0
67.05511	3.9
68.05032	0.8
68.99780	0.7
69.03429	2.6
69.07069	30.9
70.07404	1.0
71.11752	1.3
74.06091	0.6
77.03922	1.8
78.31123	0.5
79.05492	28.3
81.03423	1.0
81.04564	0.6
81.07054	8.9
83.04989	1.0
83.08617	14.5
84.08960	0.6
89.03915	15.1
91.05480	22.6
92.02650	1.9
92.05781	0.6
93.07043	35.8
94.07370	0.6
95.01344	0.6
95.04973	13.7
95.06097	1.3
95.08609	9.2
100.03750	0.5
100.09422	0.6
100.11299	1.4
103.05464	22.3
104.05748	0.7
104.88505	0.5
105.03413	3.1
105.04517	2.7
105.07030	29.6
106.06609	0.8
106.07320	1.0
107.04952	19.1
107.08592	91.7
108.04497	0.6
108.05296	0.7
108.08912	2.6
108.09455	2.0
109.06513	4.3
109.10143	2.5
110.06800	0.5
115.05462	1.9
117.03381	8.8
117.07001	6.5
119.04973	3.9
119.06046	1.4
119.08577	10.9
120.05742	0.9
120.08128	0.7
120.09400	0.8
121.06523	4.0
121.10141	100.0
122.07181	1.4
122.10512	2.6
123.08063	3.4
129.06989	0.6
130.06535	1.7
130.07780	1.8
131.04929	16.2
132.05284	1.5
132.08113	1.3
133.02846	7.5
133.06491	2.5
133.07561	1.2
133.10133	1.8
134.10912	1.4
135.04419	26.2
135.08028	4.5
135.11690	21.6
136.04767	1.1
136.07574	1.7
136.08586	0.5
136.12030	1.2
143.08603	0.7
145.02840	5.3
145.06476	1.4
145.10109	10.3
147.08046	3.4
148.05188	0.8
148.08824	8.5
148.12469	0.9
163.03906	53.8
163.07552	18.8
163.11171	56.0
163.14821	23.0
164.04341	3.3
164.06958	0.7
164.11597	3.5
164.15216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03753	0.9
53.03956	13.3
55.01857	2.0
55.05515	11.5
55.74852	0.8
57.07074	1.9
61.02911	1.0
65.03943	2.1
67.05509	29.8
69.07071	13.5
70.61144	3.2
73.16251	0.9
77.03917	3.7
79.05499	74.9
80.05824	2.4
81.03422	2.4
81.07063	42.9
82.07384	1.4
82.62403	1.0
83.08623	6.6
85.02912	1.3
89.03905	2.7
91.05485	24.0
92.02640	5.5
92.05806	1.2
93.07050	64.9
94.07353	1.5
95.04977	30.7
95.08615	44.5
96.05327	1.6
96.08949	1.5
97.10184	1.3
99.76788	1.0
100.02495	1.8
101.74381	0.8
103.05480	6.3
105.03448	4.9
105.04512	5.9
105.07028	11.0
106.06567	1.3
107.04956	9.0
107.08602	53.6
108.08955	2.5
109.06519	2.1
109.10151	2.2
115.05471	1.2
117.03391	2.0
117.07029	2.7
118.03533	1.2
118.06504	1.0
119.04951	2.3
119.08570	4.1
121.06545	2.3
121.10151	70.2
122.10486	2.6
130.06552	1.4
130.07771	0.9
131.04932	2.2
132.08119	1.7
133.02870	29.6
134.03207	2.1
135.04427	32.0
135.08113	2.0
135.11702	8.4
136.04765	2.1
138.03128	1.9
143.33139	0.9
145.06493	1.7
145.10144	3.7
163.03920	100.0
163.07553	17.3
163.11145	11.0
163.12358	1.2
163.14838	34.0
164.04300	6.7
164.11574	1.2
164.15208	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.01779	1.0
53.03940	9.8
55.01868	1.8
55.05272	1.1
55.05508	15.3
57.07053	2.7
65.03933	2.0
67.05501	46.8
69.03441	1.1
69.07066	18.1
71.16147	2.1
71.16499	1.7
77.03924	1.3
79.05489	93.5
80.05826	3.2
81.03425	1.8
81.07050	69.9
82.07370	2.3
83.08614	11.6
89.03889	1.2
91.05475	26.8
92.02614	3.1
92.05775	1.4
93.07040	98.5
94.07370	2.9
95.04369	1.4
95.04962	22.2
95.08601	68.4
96.08923	2.2
97.10157	2.6
103.05431	1.2
105.03387	3.4
105.04492	2.7
105.07010	10.1
107.04945	5.4
107.08588	79.5
108.08907	2.6
109.06516	1.3
109.10113	5.1
117.07011	2.5
119.08569	4.0
121.06483	2.7
121.10135	100.0
122.10470	3.1
132.08083	1.6
133.02849	17.8
135.04401	17.9
135.08051	1.6
135.11673	9.2
136.04651	1.3
145.10092	3.0
146.10445	1.0
163.03900	52.9
163.07518	5.4
163.11165	12.3
163.14815	56.1
164.04236	3.4
164.15135	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01587	0.9
51.02385	2.0
53.03953	12.6
55.01858	3.3
55.05514	9.8
57.03419	0.7
57.07076	1.4
58.14819	0.7
61.02926	4.1
65.03926	2.6
67.05508	25.6
68.05841	1.1
68.56689	0.7
69.03441	0.9
69.06787	0.8
69.07070	9.2
69.94347	4.2
71.04990	0.8
73.02895	1.4
76.06915	0.7
77.03919	3.0
79.05497	71.7
80.05018	1.4
80.05818	2.2
81.03413	1.9
81.07062	41.6
82.07404	0.9
83.08613	6.0
85.02895	2.8
86.14198	0.6
88.35987	0.6
89.03905	3.0
91.03928	1.0
91.05487	23.0
92.02628	6.6
92.06293	0.9
93.07049	59.9
94.07365	2.0
95.04975	34.8
95.08612	34.6
96.05298	1.1
100.02491	0.8
103.05473	17.8
104.05746	0.9
105.03408	7.0
105.04521	6.6
105.07037	29.3
106.06574	1.4
106.07349	1.9
107.04959	9.5
107.08602	46.2
108.08941	1.7
109.06506	3.8
109.10155	2.5
115.05449	2.5
117.03323	1.2
117.05733	1.7
117.07024	3.4
118.03495	1.1
119.04958	2.4
119.08615	4.2
120.02142	0.9
120.05796	1.1
120.08148	1.1
121.06502	3.2
121.10151	56.1
122.10494	2.8
123.08078	1.7
130.06554	2.2
130.07764	1.6
131.04930	3.9
132.08081	2.3
133.02856	32.4
133.06496	2.5
133.10077	0.7
134.03238	2.2
135.04420	38.1
135.08037	4.2
135.11693	5.9
136.04765	1.9
136.07634	1.0
138.03137	1.9
145.02834	1.2
145.06450	1.3
145.10118	5.0
145.47203	0.7
146.10559	1.0
147.08090	0.7
148.05176	1.6
163.03914	100.0
163.07553	51.3
163.11192	14.1
163.12460	1.1
163.14827	31.8
164.04332	6.9
164.08009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02382	0.6
53.03943	4.3
54.03459	0.6
55.01876	3.6
55.05511	9.8
55.05761	1.0
56.05018	0.8
57.03433	1.4
57.07071	2.5
65.03941	2.2
67.05508	4.6
68.05017	1.0
68.99776	0.7
69.03428	8.2
69.03772	0.9
69.07068	18.0
69.97164	2.8
71.05011	0.8
77.03931	1.8
79.05492	28.3
80.05003	0.7
80.05822	0.7
81.03403	1.0
81.07053	12.1
82.05296	0.8
83.04984	1.7
83.08607	4.2
85.02892	0.6
89.03917	12.1
91.05477	31.0
92.02609	1.1
92.05787	0.6
93.07042	51.3
94.07387	1.1
95.04970	15.4
95.06078	0.7
95.08605	9.0
96.05251	0.7
97.07655	0.8
103.05470	39.1
103.44870	0.4
104.05775	1.3
104.94140	0.4
105.03397	1.9
105.04509	2.3
105.07030	30.6
106.07284	0.9
106.07895	0.6
107.04956	12.8
107.08591	100.0
108.05598	1.0
108.08291	0.6
108.08846	2.8
109.06520	5.5
109.10163	1.0
115.05449	3.4
117.03378	7.4
117.07013	10.0
118.07397	0.6
119.04953	1.6
119.06094	1.8
119.08579	16.0
120.05703	0.8
120.08131	0.6
120.09382	1.0
121.02921	0.8
121.06500	6.9
121.10139	45.9
122.07161	2.3
122.10479	1.4
123.08007	3.0
128.06247	0.9
129.07014	1.7
130.06564	1.7
130.07791	6.0
131.04927	31.1
132.05272	1.6
132.08089	2.4
133.02849	7.6
133.06500	1.0
133.10118	2.0
134.10872	0.5
135.04419	21.3
135.08063	6.2
135.11688	51.4
136.04823	1.2
136.07581	3.4
136.08659	1.7
136.12032	1.9
137.09613	1.6
143.08539	1.7
145.02858	4.5
145.03925	0.9
145.06468	3.3
145.10120	19.5
146.07138	1.0
146.10504	1.0
147.08032	0.7
148.05119	0.6
148.08832	1.3
155.65541	0.5
163.03905	39.9
163.07544	11.4
163.09792	2.9
163.11163	35.6
163.14838	13.3
164.04230	1.8
164.07019	1.2
164.11635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02375	1.0
53.03940	4.6
55.01870	3.2
55.05506	3.9
56.96576	0.7
57.03439	1.0
57.07059	1.4
63.02378	0.4
65.03934	2.0
67.05501	4.5
68.05017	0.6
68.99783	1.0
69.03425	4.5
69.06721	0.7
69.07066	7.9
71.04981	0.9
71.58159	0.6
77.03923	1.7
79.05490	24.4
80.05024	1.1
80.05826	0.4
81.03399	1.7
81.04536	0.7
81.07058	8.5
82.05306	0.5
83.04971	1.4
83.08611	2.1
84.08141	0.5
89.03918	13.6
90.04270	0.6
91.05480	20.0
92.02619	2.4
93.03391	0.6
93.05805	1.0
93.07042	26.2
94.07371	0.9
95.04966	19.1
95.05964	0.9
95.08604	6.8
96.06863	0.7
97.07654	0.6
99.04409	0.5
103.05464	20.9
105.03389	2.5
105.04498	3.6
105.07028	20.3
106.06540	1.2
106.07304	0.7
107.04955	23.8
107.08591	36.5
108.04429	0.5
108.05679	0.6
108.08129	1.5
109.06514	2.4
109.10138	1.3
115.05445	3.3
116.06248	0.7
117.03378	9.1
117.05766	1.4
117.07011	10.2
119.04938	3.3
119.06041	0.8
119.08581	7.1
120.05672	2.0
121.06516	5.6
121.10139	18.6
122.07166	2.4
123.04354	0.8
123.08029	1.6
126.05501	1.3
129.07025	1.2
130.06532	2.2
130.07788	4.8
131.04933	16.7
132.05617	0.8
132.08081	2.2
133.02843	10.5
133.06494	4.9
133.10162	0.9
135.04417	28.1
135.08052	13.8
135.11687	10.9
136.07576	43.8
136.08557	1.8
140.07077	2.1
143.08498	0.9
145.02849	6.0
145.06474	4.7
145.10127	17.4
146.07079	0.8
147.08052	4.5
148.05144	2.5
148.08836	13.5
163.03906	52.4
163.07544	25.9
163.09921	3.7
163.11169	100.0
163.14807	9.1
164.04352	2.4
164.06990	5.2
164.11574	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02393	0.4
53.03941	3.1
54.29843	0.3
55.01868	1.2
55.05510	2.4
57.07069	0.9
65.03935	2.8
67.05513	2.1
68.05022	0.3
68.99790	0.9
69.03428	2.3
69.07065	3.9
70.62545	0.8
71.04973	0.4
71.66435	0.3
75.07050	0.3
77.03936	0.8
79.05490	12.0
81.03426	0.7
81.07050	5.8
81.54323	0.3
83.04982	0.8
83.08613	0.8
89.03391	0.5
89.03913	4.9
91.05476	27.1
92.02626	0.6
92.05817	0.6
93.05777	0.3
93.07035	10.8
95.04965	8.6
95.06039	0.4
95.08598	3.7
96.65575	0.3
103.05468	5.7
105.03404	0.9
105.04515	1.0
105.07021	5.1
107.04949	51.1
107.08586	16.0
108.04588	0.3
108.05199	1.3
108.08129	0.6
109.06515	1.3
115.05443	0.9
117.03379	2.9
117.07001	4.2
118.07323	0.3
119.04935	20.8
119.08588	2.7
120.05333	0.9
121.06521	2.0
121.10136	7.0
122.07204	0.5
123.07981	0.6
128.01233	0.3
128.06232	0.3
130.06624	0.4
130.07794	1.5
131.04930	5.2
132.08122	0.8
133.02859	3.2
133.06487	1.9
135.04422	10.3
135.08041	3.6
135.11676	3.2
136.04753	0.7
136.07573	17.5
136.08498	0.6
137.01758	1.3
140.07031	0.8
143.08530	0.4
144.46103	0.3
145.02863	2.4
145.06500	1.2
145.10112	7.5
147.08061	2.9
148.08829	8.4
149.09183	0.3
163.03896	100.0
163.07527	4.1
163.11166	54.0
163.14813	5.4
164.04240	4.5
164.07030	1.5
164.11575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Cleviolide
Peak:m/z	Relative Intensity
50.01581	0.5
51.02372	1.9
53.03939	12.6
55.01861	1.8
65.03939	1.0
67.05477	1.3
69.03417	0.8
69.07055	0.8
69.33674	3.3
69.34098	1.0
77.03916	3.8
79.05486	23.8
80.05780	0.7
81.03419	2.3
81.07044	1.0
81.59991	0.4
89.03890	3.0
91.05470	7.6
92.02613	6.4
92.05767	0.6
92.06271	1.0
93.02940	0.5
93.07027	2.9
95.04956	33.6
95.08615	1.1
96.05266	0.6
98.20669	0.8
102.04638	0.4
103.05454	22.7
105.03396	7.8
105.04498	5.5
105.07020	35.2
106.07366	1.8
107.04946	6.1
107.08590	3.6
109.06515	1.4
115.05443	2.7
117.03373	1.7
117.06997	2.7
119.04939	1.6
119.08556	1.0
120.02086	0.8
120.05737	2.7
121.06511	2.0
121.10104	1.9
121.40280	0.5
123.08038	1.4
131.04918	6.4
132.08093	0.8
133.02841	35.4
133.06485	3.1
134.03157	1.2
135.04398	40.3
135.08035	3.3
135.11690	1.2
136.04727	1.6
138.03065	2.1
145.02844	1.7
145.06476	1.2
145.10126	1.6
147.04419	0.6
148.05176	2.2
163.03888	100.0
163.07521	91.0
163.11128	7.6
163.14809	0.8
164.04245	5.1
164.07910	4.0
177.79271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.8
51.02372	1.1
53.03946	5.4
55.01871	5.0
55.05505	10.2
56.05838	0.8
57.03422	1.7
57.07071	2.7
57.33779	0.7
62.01599	0.6
63.02394	0.7
65.03928	2.7
67.05492	5.9
68.05003	1.3
68.99780	1.8
69.03430	9.7
69.07069	17.2
69.79079	0.7
71.04975	1.4
71.57819	1.2
77.03916	2.0
79.05492	31.2
80.05025	0.9
81.03405	1.4
81.04520	1.1
81.07048	13.3
82.05306	0.9
83.04985	1.2
83.08614	4.2
85.02907	1.6
89.03913	16.6
91.05475	35.0
92.02628	1.7
92.05799	1.0
93.07040	50.6
94.07349	1.6
94.82395	0.6
95.04964	19.9
95.06062	2.5
95.08601	8.7
97.02911	0.6
97.07681	1.1
101.33954	0.7
103.05462	71.7
104.05805	1.4
105.03410	3.9
105.04504	3.6
105.07029	30.2
106.06575	1.0
106.07881	0.8
107.04953	18.4
107.08588	100.0
108.05595	1.2
108.08913	2.2
109.06515	6.1
109.07644	1.1
109.10163	0.9
113.30990	0.6
115.05455	4.7
116.06206	0.7
117.03383	10.8
117.05732	1.4
117.07008	11.3
119.04941	1.8
119.06084	2.6
119.08570	17.1
120.05671	1.0
120.09433	1.1
121.02836	1.5
121.06504	7.2
121.10140	45.6
122.07162	3.9
123.08049	4.5
123.61606	0.7
129.06979	1.3
130.06552	1.3
130.07770	6.0
131.04922	66.6
132.05280	2.3
132.08052	3.0
133.02852	10.7
133.06462	1.9
133.07518	0.7
133.10106	1.7
135.04408	31.9
135.08047	8.8
135.11687	45.5
136.04729	1.8
136.07570	4.9
136.08572	1.3
136.12003	2.0
137.09639	0.7
143.08543	1.9
145.02849	8.0
145.06459	5.3
145.10114	23.1
146.07101	1.3
147.07991	0.8
148.05130	1.0
148.08817	1.6
163.03899	63.6
163.07535	20.7
163.09799	4.3
163.11151	42.5
163.14807	13.4
164.04230	2.6
164.07059	1.8
164.11581	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Cleviolide
Peak:m/z	Relative Intensity
50.01583	0.4
51.02370	0.9
53.03941	5.6
55.01871	3.5
55.05499	1.3
56.96563	0.6
57.03428	0.8
63.02376	0.7
65.03931	1.1
67.05509	2.3
68.99780	0.7
69.03426	1.6
69.07062	2.0
70.74100	0.6
70.74436	0.6
71.04980	0.6
72.04489	0.3
77.03912	1.9
78.04685	0.4
79.05485	25.9
80.05803	0.7
81.03401	1.7
81.07049	3.4
83.04974	0.6
83.08598	0.5
89.03910	19.3
89.14546	0.3
90.04254	0.8
91.05473	14.2
92.02631	1.5
92.06269	2.1
93.07035	7.6
95.04958	17.5
95.05988	0.6
95.08610	2.7
102.04672	1.0
103.05457	41.9
104.05778	1.2
105.03402	3.3
105.04502	2.7
105.07023	44.5
106.06608	0.5
106.07361	1.4
107.04945	13.2
107.08585	9.9
108.05618	0.4
108.08117	0.4
109.06519	1.7
109.07664	0.4
115.05466	3.8
116.06220	0.3
117.03368	12.1
117.05719	0.5
117.06997	4.0
118.03646	0.8
118.06519	0.6
119.04959	2.1
119.05739	0.4
119.08571	2.1
120.05740	3.6
121.02831	0.6
121.06525	3.0
121.10143	4.5
122.03644	0.6
122.07124	1.0
123.08055	2.0
130.06511	1.2
130.07762	0.8
131.04916	19.4
132.02092	0.4
132.05348	0.3
132.05672	0.3
132.08058	1.5
133.02853	7.7
133.06494	4.4
134.03148	0.5
135.04404	31.9
135.08038	6.0
135.11690	2.4
136.04767	1.6
136.07590	0.7
136.08600	0.7
138.03116	0.5
143.08578	0.4
145.02840	8.5
145.03915	0.8
145.06453	1.6
145.10114	3.9
147.04372	0.7
147.08070	0.8
148.05177	3.1
148.08772	1.6
158.06027	0.4
163.03894	43.3
163.07527	100.0
163.11145	18.2
163.14774	2.8
164.04367	2.1
164.08055	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Cleviolide
Peak:m/z	Relative Intensity
51.02391	0.8
52.38056	0.5
53.03940	3.9
55.01863	2.2
65.03925	0.7
70.78263	1.9
71.05018	0.8
71.94981	0.6
77.03943	1.2
79.05492	20.1
91.05486	9.0
92.06255	2.2
93.07043	1.3
95.04972	10.7
97.26516	0.6
103.05465	30.8
105.03375	1.1
105.04511	1.3
105.07034	45.0
106.07372	1.5
107.04953	2.5
107.08554	0.8
109.06542	1.3
115.05460	3.6
117.07001	1.3
119.04907	0.9
120.05712	3.4
121.06493	1.5
131.04948	7.4
133.06526	4.3
135.04420	3.1
135.08070	4.0
147.04474	1.0
148.05203	3.2
163.03903	2.2
163.07542	100.0
163.11220	1.6
164.07892	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Cleviolide
Peak:m/z	Relative Intensity
51.02361	1.7
53.03711	1.2
53.03946	16.1
55.01857	3.4
55.05507	1.9
56.14544	0.8
56.26654	0.8
57.03716	0.8
60.15992	0.8
63.02354	0.9
65.03952	0.9
66.04725	0.8
67.05482	3.2
68.99762	1.1
70.04592	4.5
77.03919	3.3
79.05489	30.5
81.03409	2.5
81.07042	3.7
89.03903	3.7
91.05473	12.0
91.87829	0.8
92.02634	5.0
92.06270	1.1
93.07018	6.9
95.04962	31.6
95.08593	2.9
100.02446	1.6
102.04643	1.0
103.05463	29.1
104.06245	1.1
105.03396	6.7
105.04496	5.8
105.07024	43.6
106.06544	1.5
106.07322	1.7
107.04935	8.7
107.08582	7.6
109.06480	1.3
110.55223	0.9
112.67963	0.9
115.05437	3.7
117.03385	2.5
117.06998	3.0
118.03514	2.5
119.04961	1.7
119.08569	2.0
120.02103	1.1
120.05704	3.6
121.06472	1.9
121.10149	4.3
123.08098	1.6
130.06529	1.9
130.07732	1.4
131.04924	7.3
132.08072	2.7
133.02849	33.4
133.06483	3.6
134.03162	1.2
135.04410	35.9
135.08028	5.7
135.11696	1.7
136.04793	1.1
138.03079	1.8
145.02814	1.3
145.06480	1.8
145.10124	3.7
148.05186	3.0
163.03899	95.7
163.07533	100.0
163.11113	7.8
163.14781	2.4
164.04228	4.0
164.07846	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Cleviolide
Peak:m/z	Relative Intensity
53.03943	2.5
53.68074	0.4
55.01860	1.5
65.03963	0.7
69.31669	4.2
71.05000	1.0
76.03252	0.4
77.03905	0.8
79.05492	14.5
79.87468	0.4
80.05830	0.6
83.20431	0.4
91.05473	7.0
92.06266	1.9
95.04965	8.1
102.04668	0.5
103.05462	25.7
104.05744	0.8
105.03376	1.1
105.04503	1.1
105.07025	38.1
106.07370	1.5
107.04943	1.2
107.08610	0.7
109.06528	1.0
115.05466	2.6
117.06999	0.6
119.04982	0.6
120.05742	2.8
121.06538	0.7
123.08069	0.9
124.62296	0.5
131.04933	5.9
132.33984	0.4
133.06522	4.0
133.07513	0.9
135.04399	2.6
135.08034	2.6
148.05199	2.3
163.07533	100.0
164.07886	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02361	1.4
53.03944	8.7
55.01857	3.3
55.05504	4.3
57.07059	1.5
65.03918	1.9
67.05491	4.4
68.99770	1.3
69.03419	3.0
69.07065	6.5
69.50129	4.5
69.50555	2.3
71.04986	1.3
77.03934	2.7
79.05484	36.9
80.05826	1.6
81.03445	1.8
81.07047	10.2
83.08629	2.1
89.03913	25.9
90.04205	0.9
91.05476	22.1
92.02621	3.4
92.06254	1.5
93.06475	1.5
93.07036	20.8
95.01310	1.0
95.04961	24.0
95.05994	0.9
95.08603	6.9
96.05303	1.3
98.21508	1.0
99.76458	0.8
103.05458	52.3
104.05764	2.3
105.03413	5.1
105.04495	5.5
105.07021	47.7
106.06551	2.0
106.07297	1.3
107.04945	28.2
107.08586	31.2
108.05677	1.7
108.08920	1.0
109.06510	2.5
115.05437	4.7
115.82175	0.8
117.03372	13.0
117.05746	1.3
117.07010	8.3
118.03576	1.2
119.04948	3.7
119.08554	6.6
120.05728	3.9
121.06497	6.9
121.10130	15.1
122.07165	2.2
122.09651	2.3
123.08003	3.6
124.14690	0.8
129.06963	1.0
130.06519	3.3
130.07739	2.9
131.04913	35.2
132.02086	0.9
132.05301	1.0
132.08086	2.6
133.02837	13.0
133.06456	6.3
133.10080	1.3
135.04408	44.5
135.08029	19.3
135.11684	6.9
136.04735	2.0
136.07533	0.9
136.08560	1.0
145.02847	10.7
145.03911	1.7
145.06473	2.0
145.10106	9.6
147.08096	2.1
147.66589	0.8
148.05156	3.7
148.08818	5.3
160.40431	0.8
163.03896	81.9
163.07529	100.0
163.09796	3.7
163.11148	49.1
163.14804	7.7
164.04298	4.5
164.07973	3.9
164.11583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Cleviolide
Peak:m/z	Relative Intensity
51.02363	1.4
53.03951	9.2
55.01883	4.5
56.96566	1.8
61.43801	0.7
65.03929	1.3
65.59713	0.7
70.94158	1.3
70.94511	1.7
77.03926	1.6
79.05501	24.4
81.03445	1.7
81.07062	1.7
89.03922	8.3
91.05490	12.1
92.02625	3.0
92.06267	1.1
93.07037	2.4
95.04976	23.9
96.05308	0.9
96.20500	0.7
102.04668	1.2
103.04794	1.4
103.05473	27.0
104.05779	1.3
105.03410	3.5
105.04491	4.6
105.07037	47.9
106.07351	1.2
107.04969	6.7
107.08614	4.1
109.06512	1.1
115.05463	3.5
117.03386	4.3
117.07004	1.9
118.03582	0.8
119.04948	1.3
119.08604	1.4
120.05715	3.4
121.06487	1.8
121.10150	1.7
123.08045	1.3
128.04915	1.0
130.06488	1.0
131.04947	7.4
132.08078	1.3
133.02866	16.1
133.06516	4.0
133.07422	0.9
135.04431	28.1
135.08043	4.2
136.04744	1.2
141.05644	1.3
145.02861	3.0
145.06487	1.2
147.04370	1.1
148.05206	2.5
150.06216	2.4
151.47227	0.9
163.03918	55.8
163.07553	100.0
163.11160	6.3
164.04254	2.8
164.07901	3.5
174.49258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
51.02384	0.4
53.03718	0.4
53.03941	2.5
55.01868	1.0
55.05515	1.9
57.03437	0.3
62.49430	0.3
65.03607	0.5
65.03930	2.8
67.05497	2.0
68.99789	1.0
69.03421	1.4
69.07066	4.2
69.40981	3.0
77.03924	0.7
79.05492	11.6
81.03424	0.4
81.07055	5.3
81.24024	0.3
83.05025	0.4
83.08615	1.0
86.24424	0.3
89.03912	4.1
91.05480	28.6
92.02612	0.4
92.05814	0.6
93.05788	0.4
93.07043	10.8
95.04965	7.1
95.08601	3.9
103.05474	5.2
104.84866	0.3
105.03416	0.7
105.04510	1.4
105.07030	3.8
107.04954	52.4
107.08593	15.7
108.04597	0.4
108.05316	1.4
109.06509	1.4
109.10123	0.4
115.05492	0.8
117.03390	2.6
117.05742	0.5
117.07017	4.0
119.04940	22.7
119.08625	1.8
120.05322	0.7
121.06489	2.5
121.10141	6.4
122.07120	0.5
123.07979	0.7
127.18832	0.3
130.06575	0.9
130.07785	1.4
131.04924	4.5
132.08104	0.5
133.02840	2.0
133.06505	1.3
135.04414	10.4
135.08058	3.4
135.11674	3.3
136.06499	0.6
136.07573	13.6
137.01764	1.3
140.07048	0.4
143.08591	0.7
145.02850	2.7
145.06493	0.7
145.10126	5.7
146.02275	0.3
146.07071	0.4
147.08116	1.7
148.08830	6.7
148.09972	0.2
163.03902	100.0
163.07544	3.3
163.11172	41.4
163.14813	4.4
164.04285	3.3
164.07062	1.4
164.11526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.03937	4.0
61.59671	0.9
63.02368	2.5
69.07051	1.0
71.32936	1.6
75.83427	0.9
79.05494	13.5
81.03416	1.1
89.03915	89.7
90.04237	2.0
91.05481	15.5
93.07047	1.1
95.04960	6.2
103.05442	3.4
105.07016	1.0
105.88700	0.9
107.04951	43.5
107.08611	4.1
108.05281	2.0
117.03374	59.3
118.03714	1.4
119.04937	11.4
121.10162	1.9
128.64902	0.9
131.04895	2.5
133.02824	1.0
135.04411	92.6
135.11661	1.0
136.04752	2.1
145.02850	29.9
145.03954	1.8
163.03902	100.0
164.04259	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
53.00299	0.4
53.03953	2.0
57.43536	0.4
63.02375	2.2
63.72360	0.4
65.03932	1.5
69.75241	2.3
77.03932	0.7
79.05492	10.4
89.03914	68.4
90.04264	1.8
91.04893	0.7
91.05474	13.7
91.06015	0.9
93.07035	0.5
95.04969	5.5
103.05470	1.2
105.04517	0.8
105.06966	0.4
107.04951	40.9
107.08603	0.5
108.05283	0.8
117.03374	47.3
118.03706	1.6
119.04935	12.4
120.05350	0.4
121.06552	0.5
125.70815	0.4
131.04913	1.3
133.02916	0.6
135.04410	78.5
136.04756	2.2
145.02843	28.9
145.03844	1.4
146.03204	1.2
152.77905	0.4
158.06026	0.7
163.03899	100.0
164.04240	2.7
173.65416	0.4
175.52341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36800	0.8
53.03937	1.7
53.17532	0.8
55.01869	1.7
56.05035	5.8
56.96565	5.9
57.03445	6.5
58.06596	2.5
58.99590	0.9
59.07377	1.9
60.08164	57.0
60.95839	1.2
61.02924	2.3
63.02358	0.8
68.05016	1.5
69.03419	3.7
69.55123	6.4
70.06573	2.1
73.02896	1.7
74.06078	4.1
79.05487	6.4
81.03412	1.8
81.07081	1.3
83.79182	0.7
84.04506	27.1
84.08112	0.8
85.02905	39.6
85.06515	0.8
86.06084	1.4
89.03918	29.1
90.01510	0.9
91.05476	1.4
95.04972	3.6
97.02886	2.8
98.06055	10.7
98.97578	5.9
99.02054	1.6
99.04456	1.6
102.05550	6.8
102.09178	31.1
102.96870	1.7
103.03941	77.9
103.05425	3.1
104.04311	0.8
105.07023	1.0
106.06587	1.5
106.07301	0.8
107.04951	6.9
107.08607	0.8
116.07088	8.0
116.98617	3.9
117.03381	23.7
119.01835	1.4
120.06586	1.4
120.07989	0.9
120.97890	1.6
121.01673	0.9
121.04984	1.7
126.09103	0.8
127.03844	0.9
130.04996	2.1
130.06555	1.6
131.04955	2.1
132.08104	1.7
133.02843	1.6
134.05957	1.2
134.99649	2.5
135.04413	38.9
138.99005	1.9
139.02615	0.6
144.06520	4.6
145.01746	1.4
145.02847	14.0
145.03976	1.2
145.04997	1.6
149.01138	1.1
157.03522	2.0
161.01164	1.0
162.05513	3.2
162.11255	100.0
163.03902	29.9
163.07497	1.1
163.08691	2.5
163.11607	2.7
179.02243	1.2
181.83084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02369	0.6
53.03949	1.3
54.70065	0.4
55.01867	1.2
55.05260	0.6
55.05510	6.4
55.64409	0.4
65.03930	0.7
66.04713	0.4
67.05502	4.8
69.03421	1.2
69.07066	8.4
69.26625	0.4
70.00874	1.0
70.01276	1.3
77.03938	1.0
79.05492	9.2
81.07054	9.7
83.08628	0.7
89.03932	0.5
90.04714	0.8
91.05479	18.7
93.04543	0.7
93.07040	6.0
95.04967	2.1
95.08604	3.1
98.21442	0.5
103.05460	6.6
104.06262	0.7
105.03403	3.4
105.07028	73.1
106.07381	1.7
107.04969	0.6
107.08587	2.7
108.81404	0.4
115.05444	6.2
117.07026	5.1
118.04168	3.2
118.06561	0.5
119.08579	100.0
120.08843	2.6
121.06463	1.6
121.10159	1.3
128.06226	1.8
131.04947	1.1
131.08556	5.6
132.09358	0.6
133.02852	1.8
133.06496	8.2
133.10127	27.9
134.05952	0.5
134.10471	1.1
139.25029	0.4
143.04974	0.8
143.06064	1.0
143.08563	2.3
145.06458	0.6
145.10129	1.3
146.03642	3.7
146.07265	1.7
146.10915	2.4
159.11703	2.4
161.02365	5.7
161.05981	49.3
161.09599	10.3
161.13251	43.0
162.06387	1.9
162.09177	0.6
162.13617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03932	3.7
55.01860	3.8
55.05507	6.3
56.17535	0.7
56.96564	1.5
60.95853	1.6
64.38284	0.7
64.39069	0.7
65.03941	2.2
67.05500	25.8
69.03420	2.6
69.07072	5.4
71.58024	0.9
77.03925	0.8
79.05489	39.3
81.03423	5.8
81.07050	33.4
83.08608	1.4
89.96052	0.7
91.05475	100.0
92.05804	2.0
93.07038	24.2
94.07384	1.0
95.04962	5.5
95.08600	14.6
96.15503	0.7
103.05460	5.0
104.06291	0.7
105.03400	1.5
105.07024	99.3
106.07345	3.7
107.04948	2.6
107.08582	5.0
115.05446	6.5
117.07007	29.3
118.04144	2.4
118.07305	1.2
119.04898	2.9
119.08575	72.3
119.95756	0.8
120.08119	0.9
120.08849	1.1
120.09449	0.9
121.06504	5.2
123.82623	0.7
128.06221	7.7
131.04935	2.2
131.08548	5.8
132.05714	3.4
132.09222	1.6
133.06483	11.8
133.07458	1.3
133.10124	48.3
134.05940	1.1
134.06985	0.9
134.10498	1.8
143.08554	12.1
145.06508	2.2
146.03656	4.1
146.07254	10.5
146.10953	0.9
159.07907	0.9
159.11670	3.0
161.05988	17.3
161.09610	65.6
161.13246	73.7
162.05405	1.4
162.09935	2.7
162.13605	2.8
177.27467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03939	1.1
55.01860	1.6
55.05508	7.1
56.21166	0.6
65.03913	0.8
65.76122	0.6
67.05500	1.5
67.99338	0.6
69.03447	1.1
69.07079	3.9
70.93154	1.7
79.05499	4.8
81.07050	3.3
82.53595	0.6
91.05480	14.4
93.04440	0.7
93.07025	3.8
95.04964	2.0
103.05452	4.5
105.07026	46.9
106.07328	1.1
107.04954	0.9
107.08568	1.3
115.05454	5.1
117.07031	4.5
117.50075	0.7
118.04144	2.7
119.08575	100.0
120.08862	3.3
120.26987	0.6
121.06458	1.7
121.10154	3.9
128.06184	0.9
131.04927	1.4
131.08563	5.1
133.06470	6.3
133.10123	30.1
134.10466	1.2
140.52596	0.8
143.08553	1.6
146.03590	1.7
146.07245	2.2
146.10866	1.3
159.11691	1.8
161.05988	12.5
161.08293	1.1
161.09613	8.6
161.13248	26.4
162.13602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.99778	0.6
53.03942	3.4
55.01866	2.9
55.05511	4.9
56.96555	2.0
65.03941	3.0
67.05501	25.5
68.05804	0.7
69.03429	1.7
69.07063	5.9
71.57400	0.5
71.57941	0.9
77.03918	1.0
78.93140	0.8
79.05489	36.8
80.05824	1.4
81.03416	3.4
81.07056	31.3
82.07387	0.6
83.08620	1.4
84.77853	0.6
91.05477	100.0
92.05805	2.3
93.07041	24.2
95.04974	6.3
95.08607	15.6
103.02322	0.7
103.05461	4.2
104.06280	1.1
105.03424	1.0
105.07027	94.7
106.06676	0.8
106.07318	3.0
107.04951	2.2
107.08577	4.4
115.05456	5.8
117.07018	30.0
118.04160	1.4
118.07277	0.8
119.04988	0.9
119.08578	68.0
120.08844	1.3
120.09453	0.7
121.06494	5.3
125.54778	0.6
128.06224	8.5
131.04906	2.7
131.08577	5.0
132.05721	2.6
132.09344	0.8
133.06502	11.6
133.10124	45.1
134.10490	1.9
143.08549	10.5
144.08870	1.0
145.06482	2.1
146.03622	3.1
146.07257	9.3
159.11717	2.6
161.05978	15.0
161.09615	56.3
161.13251	70.5
162.05415	0.9
162.09981	2.3
162.13629	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78666	0.4
56.96566	1.8
69.31607	3.7
82.27362	0.3
82.99838	0.6
84.08142	1.6
98.97592	1.3
101.00873	9.4
101.01495	0.7
102.00928	0.7
102.96876	0.8
105.07034	0.8
116.98665	1.3
118.03517	0.4
119.01918	100.0
120.02009	7.5
120.97899	0.8
121.01648	0.8
121.02431	0.5
122.79358	0.4
130.08635	0.4
133.03496	0.5
134.99640	1.0
137.02954	55.5
138.03076	3.5
138.04028	0.5
138.96396	0.9
138.98962	0.4
142.03500	2.9
143.03639	1.2
144.10242	0.4
156.97479	14.1
157.03430	0.8
160.04538	1.5
161.02946	1.9
161.04701	1.5
172.95264	0.4
174.98529	17.5
176.45445	0.4
179.04018	4.7
179.05618	0.8
179.99083	4.2
184.04564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02381	0.4
53.03951	1.8
55.01875	3.0
55.05503	1.6
56.96555	0.4
57.03411	0.3
58.99576	0.3
59.06127	0.4
60.79023	0.3
65.03951	0.7
65.36939	0.3
66.04726	0.9
67.05496	1.0
68.99781	0.6
69.03439	1.2
69.07069	1.1
69.63599	1.1
69.64008	0.7
77.03918	0.6
79.05492	15.0
80.05826	0.3
81.07057	2.1
84.04488	0.6
85.02901	0.4
89.03902	0.7
90.04707	1.9
91.05481	10.8
92.02656	0.3
93.04523	0.4
93.07050	1.8
95.04968	3.7
98.21506	0.6
102.04706	0.4
103.05464	15.8
105.03388	0.9
105.04536	1.1
105.07029	73.5
106.06637	0.5
106.07377	2.0
107.04941	1.6
107.06049	0.6
107.08590	0.9
115.05457	19.0
116.05758	0.4
117.07006	2.5
118.04163	8.6
118.06536	0.4
118.07804	0.6
119.04955	0.8
119.08581	17.7
120.05584	0.6
121.06425	2.6
121.10127	0.6
123.10423	0.3
128.06233	2.1
129.07001	0.5
131.04898	2.6
131.08577	2.6
132.05704	1.2
133.06491	26.8
133.10123	15.2
134.07034	1.5
136.66428	0.3
143.04929	0.9
143.06047	2.4
143.08533	2.8
145.06485	0.7
146.03624	1.4
146.07294	3.1
146.10910	0.7
148.67180	0.3
159.11670	0.5
160.05260	0.7
161.05978	100.0
161.08160	2.5
161.09622	14.3
161.13252	9.9
161.14636	0.5
162.06500	2.9
162.09047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01856	1.4
55.05509	7.6
63.02375	0.4
65.03927	0.9
67.05499	4.6
69.03417	0.4
69.07066	8.9
69.07406	0.3
71.57793	0.4
74.32390	0.4
77.78412	0.3
79.05062	0.6
79.05490	8.9
81.06584	0.6
81.07052	9.6
85.02879	0.4
85.91987	0.3
91.05477	17.5
93.07047	6.5
95.04984	2.0
95.08608	2.0
103.05477	5.0
105.07027	67.9
106.07332	2.1
107.04923	0.6
107.08595	2.4
108.45338	0.3
115.05440	4.7
117.07005	6.2
118.04167	2.1
119.08576	100.0
120.08117	0.7
120.08862	3.1
121.06419	0.8
121.10149	1.7
128.06203	1.0
130.07794	0.4
131.04933	0.8
131.08562	7.6
132.09380	0.6
133.06497	5.4
133.10123	33.8
134.10440	1.3
143.08566	1.4
144.09277	0.7
145.06497	0.4
145.10103	0.8
146.03596	0.6
146.07257	1.8
146.10901	3.0
159.11699	2.7
159.12805	0.4
161.05974	21.2
161.08212	0.9
161.09605	6.3
161.13251	46.6
162.06456	0.5
162.13602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03956	0.7
54.20761	0.5
55.05536	0.8
56.96584	1.3
62.28956	0.5
62.67511	0.6
65.03942	0.6
67.05508	5.1
69.35966	3.7
69.36395	1.8
70.81573	0.6
76.93382	0.8
79.05501	4.5
81.07065	4.2
91.05486	25.4
92.05856	0.8
93.07063	1.3
95.04984	0.6
103.05474	1.1
105.07041	19.2
115.05461	12.8
116.06284	5.0
117.07023	55.2
117.95985	0.6
118.07431	0.6
118.96797	0.6
119.08585	5.9
128.06245	2.1
129.06046	1.0
129.07013	22.9
130.07805	19.1
131.08578	83.8
132.08905	3.8
135.97026	0.7
137.05440	0.8
141.01836	1.7
142.07791	1.4
143.08585	1.2
144.05682	0.8
144.09343	13.3
153.96802	0.5
157.10127	2.6
157.15800	0.6
159.08182	2.9
159.11699	100.0
160.07478	0.7
160.12041	6.4
169.50418	0.7
172.36172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
56.96566	3.2
59.93108	1.0
67.05501	3.9
69.96035	0.6
70.06625	0.8
70.91836	1.7
71.21114	0.6
76.92927	0.8
76.93368	7.4
79.05490	3.7
81.07037	2.8
91.05479	19.3
93.07040	1.5
94.94403	2.6
95.04973	0.6
96.17265	0.6
96.76872	0.6
98.97555	0.9
103.05489	1.6
105.06316	0.8
105.07023	15.8
113.02388	1.4
114.09155	0.7
115.05437	12.6
115.06176	1.1
116.06277	3.1
116.98657	0.7
117.07011	100.0
117.95983	4.8
118.06594	1.0
118.07262	3.0
118.96777	2.2
119.08569	4.9
128.06219	1.2
129.07002	11.6
130.07791	9.4
131.04926	1.4
131.08557	64.7
132.08899	2.0
134.99585	1.3
135.96959	3.6
141.01833	2.1
141.06978	1.1
142.07727	1.0
143.08582	1.0
144.05699	2.9
144.09337	10.6
154.96484	0.8
157.10126	2.0
158.98643	1.0
159.06863	1.0
159.08098	6.2
159.11684	60.9
160.06226	0.6
160.07504	1.5
160.09689	2.6
160.11986	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
54.25190	0.7
56.96564	1.4
59.93117	1.1
67.05500	2.3
71.39816	0.6
71.58816	0.9
75.47807	0.6
76.93366	2.9
79.05504	2.1
81.07083	1.2
91.05477	21.9
93.07050	1.2
100.07633	1.1
103.05453	2.4
104.96049	0.7
105.07030	10.5
113.02357	1.2
115.05436	9.2
116.06256	3.7
117.07011	74.3
117.95966	1.9
118.06593	1.0
118.07276	3.4
118.96759	2.0
119.08581	6.1
128.06204	1.4
129.06999	12.8
130.07790	22.5
131.08562	100.0
132.08913	4.4
134.99606	0.7
135.96996	2.3
141.01796	2.6
142.07777	0.9
144.05692	1.2
144.09344	9.7
154.99722	0.7
157.10098	0.9
159.08023	2.9
159.11682	69.7
160.07558	1.5
160.09689	1.8
160.12021	2.9
178.18417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48794	0.4
51.82144	0.3
56.96563	0.9
57.76574	0.4
57.98471	0.4
59.45179	0.4
68.46380	0.4
69.65532	0.6
69.65942	2.3
70.12646	0.4
71.35802	0.4
98.20826	0.8
98.90473	0.4
98.97580	1.6
99.97901	0.8
100.02462	0.9
100.97229	0.6
101.00871	12.4
114.26463	0.4
116.98643	1.0
117.98948	0.6
118.01736	0.4
118.03512	4.7
118.96746	0.8
119.01920	100.0
120.02016	1.6
120.03288	0.7
121.01675	1.2
124.02448	1.1
133.03506	0.4
134.99675	1.3
136.00011	0.7
136.02760	2.3
136.04564	5.2
137.02959	49.6
138.03120	0.8
139.02585	0.4
142.03500	22.4
143.03609	1.2
155.09430	0.4
160.04561	24.2
161.02963	1.2
161.04579	1.4
162.45012	0.4
165.05083	0.6
178.05605	8.6
179.03976	3.6
179.05325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03947	0.8
53.71721	0.5
53.72000	0.5
55.05516	0.6
56.39102	0.6
65.03953	0.6
67.05499	6.2
71.14096	1.0
76.93377	1.6
79.05482	6.3
81.07057	4.3
85.02914	0.6
91.05477	23.8
93.07021	2.5
95.04955	0.9
102.03567	0.6
103.05493	1.3
105.07025	24.1
106.07357	1.0
115.05450	8.7
116.06289	2.9
117.07012	60.5
117.96033	0.9
118.07372	2.0
119.08575	8.2
127.25671	0.6
128.06224	1.3
129.06999	15.4
130.07788	18.2
131.08560	95.5
132.07997	0.9
132.08865	3.7
135.97002	0.8
141.01785	1.3
141.06935	0.7
142.07733	1.7
144.05638	0.8
144.09332	15.9
145.09752	0.6
157.10155	4.2
159.08134	4.1
159.11682	100.0
160.09732	0.6
160.12048	4.2
175.68082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05516	1.1
56.44215	0.7
56.96565	2.4
57.07069	1.5
62.04107	0.7
65.03932	0.8
66.73524	0.7
67.05498	5.8
71.57775	1.1
71.92680	0.6
76.93369	5.3
79.05492	4.2
80.68021	0.7
81.07058	4.3
82.81615	0.7
91.05475	19.9
91.36104	0.7
93.07056	1.2
94.94404	0.9
95.04984	1.1
98.97531	0.8
100.07578	0.8
103.05443	1.1
105.07034	15.9
113.02400	0.8
115.04691	1.1
115.05455	14.0
116.06257	4.0
117.07014	100.0
117.95990	2.9
118.07367	2.7
118.96764	1.5
119.08545	4.9
119.47194	0.6
128.06232	1.1
129.06990	14.3
130.07779	14.1
131.08568	69.9
132.08875	2.1
135.97003	2.2
141.01788	2.3
142.07718	0.7
143.08530	1.1
144.05731	0.9
144.09326	9.9
157.10124	2.0
159.08138	3.8
159.11687	78.0
159.92502	0.8
160.12082	3.6
173.25117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.05502	1.4
56.59126	0.7
56.96567	4.1
57.03425	1.4
57.07057	1.0
59.93098	2.5
62.31218	0.8
65.47034	0.7
67.05503	6.4
67.94721	0.7
68.47707	0.7
71.58187	1.7
74.09666	0.8
76.92935	1.3
76.93378	12.6
77.94121	1.0
79.05502	7.0
81.07063	4.4
90.77515	0.7
91.05483	30.4
92.05813	0.8
93.07037	2.5
94.94398	4.8
98.97587	1.8
100.07617	1.7
103.05476	2.3
105.07034	21.9
113.02368	1.9
114.05511	1.2
115.05460	11.9
116.06265	5.9
116.98614	2.5
117.07025	46.6
117.95995	7.1
118.06548	0.8
118.07273	1.6
118.96780	6.1
119.08566	5.4
128.06226	1.9
128.36917	0.7
129.07016	21.5
130.07800	22.1
131.04897	2.1
131.08577	84.1
132.08936	3.6
133.06433	0.8
134.99666	4.8
135.97005	8.4
135.99965	1.2
141.01842	4.4
141.06992	2.1
142.07770	2.0
143.08556	0.9
144.05794	3.4
144.09348	17.0
150.95700	0.9
153.00726	1.6
153.96712	1.7
154.59050	1.0
154.96478	1.7
157.10153	4.3
158.98615	1.4
159.08134	8.6
159.10170	3.3
159.11699	100.0
160.07481	1.0
160.12093	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03951	0.8
54.94395	0.4
55.01873	0.6
55.05513	1.0
56.05044	3.5
56.96563	8.9
57.03445	0.9
57.93570	0.6
57.98467	0.5
58.06608	0.9
58.63783	0.4
59.06130	2.0
59.93126	1.5
60.04539	1.0
68.05016	0.6
69.03439	1.1
69.07099	0.5
69.71106	2.5
70.06611	0.6
71.05018	0.5
71.95271	0.7
72.04526	1.5
72.08156	0.9
73.02923	0.5
73.95712	0.9
74.06089	0.7
75.93629	0.6
76.04017	0.7
76.93398	0.9
77.94162	0.6
79.05472	0.5
81.03389	0.5
81.04537	0.7
84.04517	1.9
85.02924	1.1
85.07664	0.6
86.06084	0.8
87.00833	0.6
87.04442	0.6
87.05615	0.7
91.05467	2.3
93.05796	0.8
94.94362	0.7
95.04978	0.9
95.06090	1.8
96.04501	1.0
96.08154	0.5
98.20834	0.7
98.97583	12.4
99.05570	2.4
100.04008	0.6
100.07616	0.8
101.07156	0.7
102.05534	1.0
103.05479	1.5
105.07009	2.5
110.62875	0.5
113.02376	1.4
113.07114	2.3
114.05539	1.3
115.05450	31.1
116.04998	1.5
116.05762	0.9
116.98611	15.8
117.05762	20.3
117.07037	1.0
117.98953	0.6
118.06536	8.2
118.96763	5.7
119.01907	0.5
130.06520	30.1
131.04947	1.3
131.06834	4.5
131.08536	2.4
132.08084	100.0
133.08443	2.4
134.99655	19.8
135.97014	0.5
136.00027	0.6
136.02718	0.5
140.00223	1.1
140.04961	1.8
141.01855	2.6
141.06627	1.5
141.98199	0.5
142.06516	39.5
143.07071	1.6
144.09326	1.0
150.95790	0.6
153.00690	4.4
153.96671	1.5
154.96429	1.6
158.01207	1.6
158.08359	1.9
159.06409	1.8
159.07973	3.1
159.09160	68.9
159.11699	2.3
160.06233	1.0
160.07578	17.6
160.09573	2.0
172.97569	0.9
177.00635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.68460	0.5
53.03912	0.5
55.05504	1.0
56.13807	0.5
56.96552	1.2
65.03915	1.0
67.05508	5.4
70.75871	1.8
76.93356	3.1
76.98851	0.5
79.05502	5.2
81.07043	3.8
88.11306	0.5
91.05477	29.4
93.07024	2.0
94.94416	0.7
98.97571	0.6
100.07609	0.5
103.05468	2.3
105.07027	19.6
115.05444	11.4
116.06243	5.5
116.98603	0.9
117.07014	39.4
117.95990	1.5
118.06548	0.6
118.07270	1.1
118.09802	0.5
118.96751	1.9
119.08566	5.5
128.06230	1.2
129.07004	23.5
130.07788	27.6
131.08569	74.5
132.08922	3.1
134.99617	1.0
135.97040	1.1
139.92430	0.6
141.07005	2.5
142.07820	1.7
143.08591	1.2
144.04584	0.8
144.05701	14.2
144.09341	14.4
144.10391	1.0
157.10085	2.6
159.08072	19.6
159.11688	100.0
160.08475	0.9
160.12000	4.6
177.82515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03921	1.4
55.01854	2.2
55.05493	3.2
56.05037	9.9
56.96565	32.0
57.03441	8.1
57.04535	1.1
57.07064	2.0
57.93550	1.8
58.02943	2.1
58.06588	3.4
58.66419	1.0
59.06113	6.8
59.93112	7.7
60.04504	4.1
60.95845	1.1
61.02901	1.1
65.03949	1.0
67.05495	2.9
68.05009	3.9
69.03407	3.3
69.04525	1.7
69.07060	2.5
70.02946	1.8
70.06593	5.4
71.01329	1.8
71.04977	2.5
71.06100	2.8
71.06908	3.6
71.57204	1.5
71.95238	2.8
72.04517	6.8
72.08151	5.0
73.95672	2.0
74.06055	1.8
75.04458	1.1
75.05565	0.9
76.03989	4.0
76.93353	3.0
77.94145	2.2
79.05471	4.0
80.05850	1.0
81.03389	2.2
81.07028	2.8
82.06576	1.8
83.04980	2.4
83.06073	3.0
84.04503	9.8
84.08120	2.2
85.02915	6.9
85.04053	1.3
85.06535	1.5
85.07643	3.0
86.02429	1.5
86.06052	2.6
86.08425	1.1
86.09682	1.6
87.00819	2.7
87.04470	1.1
88.03985	1.1
88.07642	1.3
91.05485	7.5
91.96711	1.1
94.06544	1.7
95.04945	2.6
95.06120	6.5
95.06887	5.0
95.08584	4.3
95.95148	2.5
96.04490	5.2
96.08135	2.7
97.02876	2.1
97.04798	2.9
97.07612	2.1
98.06021	4.1
98.97582	28.2
99.04446	2.7
99.05576	6.9
99.06376	4.2
100.03945	3.5
100.07587	2.0
101.02354	2.1
101.07123	1.4
102.05547	5.1
103.05444	6.2
104.04977	2.2
105.04539	1.2
105.07029	29.7
111.05474	2.0
112.55814	1.0
113.02366	6.6
113.05950	6.0
113.07147	8.7
113.07864	1.5
114.05514	4.3
114.09129	1.7
115.05438	34.2
116.03462	1.0
116.07076	1.2
116.97233	2.5
116.98615	40.4
116.99454	2.3
117.01831	1.8
117.05776	34.0
117.06695	3.1
117.07009	4.4
117.95994	1.7
117.97574	1.5
117.98986	1.3
118.06554	18.0
118.96769	20.4
119.01887	2.7
119.07322	99.4
120.07630	3.5
123.07997	1.6
127.00275	1.5
127.05656	1.8
129.07016	2.8
130.06528	5.0
131.04926	7.6
131.07637	1.3
131.08549	8.8
132.08087	100.0
133.08397	3.3
133.99086	1.3
134.99658	74.2
135.97005	1.8
135.99995	1.8
136.02704	1.0
137.03000	1.2
140.00206	1.9
141.01822	13.2
141.06639	3.0
141.07462	19.8
141.98314	1.4
142.04919	1.4
142.06516	9.1
142.08626	1.4
144.05716	1.8
144.09332	3.0
149.95900	1.3
150.95682	2.4
153.00697	21.0
153.96735	4.4
154.96483	6.9
158.01251	6.2
159.03003	1.3
159.04401	3.1
159.07820	9.5
159.09163	81.9
159.11601	6.8
160.06183	1.7
160.07599	5.4
160.09622	3.0
172.97493	1.5
176.02278	1.9
176.98277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0805
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
52.33963	0.4
55.01872	0.9
56.96563	2.5
59.93095	1.0
63.02392	0.5
65.03918	0.8
67.05496	1.6
69.39973	4.6
76.93369	6.4
79.05479	1.9
79.64837	0.4
81.07049	1.2
87.00831	4.3
91.05479	30.9
92.05800	1.0
93.07045	1.0
94.94427	2.6
95.04988	0.8
98.97600	1.1
100.07602	1.0
102.09160	0.6
103.05457	2.4
105.01876	0.8
105.07022	8.1
112.95409	0.6
113.02361	1.3
115.05450	10.8
116.06245	12.2
116.98623	2.5
117.01862	3.1
117.05782	0.7
117.07027	12.1
117.95969	3.9
118.06561	1.2
118.96773	1.5
119.08568	3.7
128.06203	1.1
129.06995	12.5
130.07791	3.8
131.04938	2.4
131.08563	28.9
132.08055	1.5
132.08940	1.1
134.99663	3.8
135.02788	0.4
135.97037	4.9
141.01833	1.8
141.06978	7.8
141.07983	0.6
142.07745	0.7
143.05923	0.6
144.05699	64.2
144.09346	8.3
145.06029	2.3
153.00720	0.9
153.96710	0.6
154.59062	0.6
157.10136	1.6
158.07285	1.0
158.98553	0.5
159.08052	100.0
159.11670	27.6
159.15700	0.7
160.08490	3.6
160.12079	0.9
169.07628	0.9
172.91086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1175
Annotation	Tranexamic acid
Peak:m/z	Relative Intensity
53.03939	1.2
53.26002	0.5
55.01866	10.3
55.05260	1.0
55.05509	12.3
56.05036	6.3
56.96561	11.7
57.03432	1.9
57.04557	0.7
57.07067	1.7
57.93563	6.4
58.02953	0.9
58.05334	0.7
58.06595	2.1
59.06118	5.0
60.04527	4.2
67.05505	8.7
68.05025	1.9
69.03419	1.0
69.07067	4.1
70.02925	0.6
70.06587	6.9
70.77797	1.2
70.78162	1.1
71.04977	2.6
71.06108	1.8
71.95257	1.4
72.04508	2.1
72.08149	0.8
73.04032	0.7
74.06063	1.2
74.09700	0.6
75.05598	1.4
75.94606	2.8
76.03985	0.7
76.93365	1.3
79.05482	7.7
79.95180	0.6
81.03381	0.6
81.04536	1.1
81.07051	31.8
82.02931	1.7
82.06589	0.7
82.07369	1.0
83.06094	4.6
83.08619	1.3
84.04501	4.7
84.08145	2.2
85.02903	4.2
85.04013	0.7
85.07670	1.3
86.06072	1.9
86.08453	0.7
86.09708	1.0
87.00803	1.0
87.05581	2.4
91.05469	2.1
93.07040	1.8
93.95646	2.1
94.06557	0.9
94.07417	0.7
95.04953	2.4
95.06104	2.7
95.08601	35.4
96.04499	0.7
96.08130	9.9
96.08929	1.3
97.02283	0.6
97.06523	100.0
97.10169	1.5
98.06052	10.2
98.06858	2.8
98.09687	9.1
98.97577	18.5
99.04438	2.1
99.05558	5.7
99.08081	1.7
100.03962	0.9
100.07610	2.2
101.07130	1.1
102.05517	0.9
102.09178	2.9
103.05462	1.8
105.07027	2.1
110.07159	1.6
111.05547	1.1
111.08034	1.7
111.20033	0.7
112.07611	2.5
112.08700	1.1
112.11276	1.2
113.02391	1.1
113.07119	2.6
114.05538	1.0
116.97243	21.7
116.98599	27.7
117.06570	1.3
117.97562	0.7
119.08504	0.6
120.08062	0.7
122.09687	1.7
123.05576	1.3
123.08058	21.5
123.08954	1.1
124.08420	0.9
129.06947	0.7
130.06511	5.0
131.04906	1.2
131.08513	1.8
131.99478	1.2
134.01308	0.8
134.99646	34.8
139.98836	1.1
140.00143	1.1
140.07068	1.0
140.08153	1.8
140.10690	20.3
141.01826	2.9
141.06592	2.7
141.09094	14.6
143.07216	1.0
143.08546	1.0
144.09277	0.8
148.96179	2.2
152.96895	9.0
153.00705	9.4
153.96686	1.1
158.01260	2.8
158.04573	0.8
158.06004	3.1
158.08093	1.2
158.09599	17.7
158.11751	60.3
158.15276	2.9
159.04314	0.7
159.07793	1.8
159.10237	0.8
159.11839	4.6
170.98000	2.0
175.98555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
50.59899	0.4
53.03947	0.7
55.01629	0.5
55.01871	7.0
55.05507	0.8
56.05036	2.4
56.96344	0.4
56.96566	4.8
57.03417	1.6
57.07056	0.5
57.93322	0.4
57.93567	4.2
58.02946	0.8
58.06582	0.5
59.06125	2.3
60.04513	1.6
62.30423	0.4
67.05495	1.2
67.49845	0.4
68.05014	1.9
69.03426	1.4
69.07050	1.6
70.06589	9.0
71.02172	1.0
71.02512	0.7
71.95249	0.6
72.04499	1.2
72.08137	2.0
74.06075	0.5
75.94608	1.2
76.03984	0.5
79.05483	0.7
80.05016	0.7
81.03407	1.0
81.04494	0.5
81.05785	2.0
81.07050	0.5
83.04969	0.5
83.06089	1.8
84.04499	8.5
84.08116	1.2
85.02898	0.7
86.06080	0.6
87.04458	1.8
87.05585	1.0
93.95628	1.2
94.06565	27.9
95.04970	1.0
95.06077	1.3
95.07355	8.5
96.04488	30.5
96.08133	10.1
97.02919	0.6
97.06541	0.6
98.06054	22.6
98.97585	10.2
99.05583	1.4
100.07652	0.5
102.05523	1.4
102.09179	1.2
105.07026	1.3
110.06014	0.5
112.03984	0.5
112.07594	4.2
112.55736	4.6
113.05926	1.2
113.07134	0.8
114.05528	25.3
115.05389	1.0
116.07088	0.9
116.97234	12.4
116.98595	14.0
117.05759	1.1
118.06499	0.5
119.01888	0.7
119.07329	3.5
122.06033	9.2
123.05513	0.5
130.06541	1.4
131.99530	0.5
132.08083	3.8
134.03064	0.5
134.99654	13.3
135.06821	0.7
138.05519	2.1
140.00122	0.5
140.07060	100.0
141.01807	0.8
141.07458	2.3
142.06529	0.5
148.96201	1.2
152.96922	5.2
153.00699	2.9
158.01210	0.7
158.06061	0.9
158.08125	21.1
158.09558	6.7
158.11731	0.8
158.15392	1.3
159.09261	2.9
170.97974	1.2
175.98524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95394	0.7
56.96563	28.2
57.93581	0.9
66.49852	0.7
69.43298	5.8
69.43703	2.1
71.95258	4.4
91.19381	0.8
98.97581	98.6
116.01963	0.9
116.97256	2.8
116.98618	100.0
118.03523	2.5
119.01928	6.8
121.01662	1.0
125.84152	0.8
134.02988	7.7
134.04858	1.4
134.99652	69.8
137.02950	3.1
139.02734	1.0
140.00163	2.7
149.03555	0.9
152.04057	1.4
152.05879	1.6
153.00719	11.0
158.01242	3.4
158.09572	1.5
176.05756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88375	0.3
55.01863	1.6
55.05509	4.5
56.05029	3.1
56.05801	0.4
56.96560	30.1
57.03401	1.2
57.07047	1.1
57.07317	0.4
57.93561	8.1
58.02951	0.5
58.06573	1.2
59.06126	1.8
60.04525	2.1
61.02894	1.0
67.05503	1.7
68.05005	1.0
68.99769	0.8
69.03428	1.9
69.07072	2.5
70.02906	0.5
70.06587	18.3
70.95842	0.4
70.98085	0.5
71.01311	1.2
71.04993	2.4
71.06101	1.9
71.06912	0.4
71.28715	0.7
71.95258	3.6
72.04485	1.0
72.08151	3.2
72.93799	0.5
73.02905	0.7
73.04020	0.5
73.06509	0.6
74.06048	1.3
74.93800	0.5
74.97559	0.4
75.04462	0.5
75.05573	0.7
75.94608	2.2
77.00784	0.6
79.05470	0.6
80.05006	0.5
80.99945	0.3
81.03396	0.9
81.04536	0.5
81.07037	2.5
82.02939	0.4
82.06556	0.8
83.04954	0.5
83.06102	3.2
84.01566	0.4
84.04500	4.0
84.08141	2.2
84.96016	0.5
85.02890	2.4
86.06042	1.0
86.09691	0.7
87.04459	0.5
87.05571	1.3
88.07595	0.7
88.08730	0.7
93.95628	1.9
94.06551	2.9
95.04945	1.6
95.06078	1.6
95.08585	1.3
96.04483	2.2
96.08114	2.0
97.02886	1.8
97.06490	1.3
97.07625	0.7
97.96669	0.3
98.01276	0.4
98.06039	4.1
98.07186	0.8
98.09687	16.1
98.97576	39.5
99.00824	0.4
99.04456	1.6
99.05567	2.3
100.03941	0.4
100.07590	1.4
101.00847	0.4
101.02367	0.4
102.05502	1.0
102.09194	1.7
103.05490	0.4
107.01823	0.5
109.02864	0.4
110.06008	0.8
110.07147	1.0
110.97565	0.4
111.07982	0.5
111.09167	0.5
112.03945	0.7
112.07604	7.1
112.08417	0.6
112.08722	0.6
112.11230	1.3
112.55754	3.0
113.02373	0.9
113.05954	0.8
113.07113	1.2
114.00793	0.5
114.05525	2.4
115.05403	0.4
116.00194	0.4
116.07085	3.0
116.97269	20.4
116.98603	61.3
117.01831	2.1
117.06567	0.5
118.03504	0.6
119.01889	2.3
120.98010	0.4
122.06018	1.0
123.04324	0.5
123.05535	0.5
123.08060	1.2
126.00734	1.1
127.00306	0.6
127.01509	1.6
128.02354	0.4
128.07120	0.6
128.98604	0.8
130.06497	2.1
130.08615	0.4
131.99545	1.2
134.01262	1.3
134.02969	1.3
134.99646	100.0
135.06792	0.4
136.00008	0.7
136.02013	0.5
137.02979	0.8
139.98781	1.3
140.00146	2.5
140.07069	7.9
140.08145	1.0
140.10692	3.5
141.01845	1.2
141.06557	0.7
141.10205	0.5
143.01903	1.4
143.02930	0.5
143.07249	0.6
145.01286	1.9
146.99689	0.9
148.96176	3.3
149.01221	0.8
149.06567	0.9
149.18562	0.4
152.96916	8.0
153.00699	25.6
153.96655	0.9
154.01184	0.4
156.06343	0.4
158.01247	8.2
158.02463	0.7
158.06009	1.0
158.08128	4.9
158.09607	11.1
158.11769	8.1
158.12917	2.0
158.15378	3.1
158.99760	0.5
159.01614	0.4
159.02971	0.7
159.07793	0.5
161.02930	3.0
161.04921	0.7
170.97966	2.2
175.98541	1.1
176.02281	1.9
177.00746	0.7
179.05933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77103	0.6
53.03937	1.5
53.42799	0.5
55.01870	100.0
55.05509	5.3
56.02209	1.2
56.05036	1.8
56.05850	0.6
56.96563	54.9
57.03434	4.1
57.07077	1.4
57.93562	4.6
58.06598	4.0
58.99853	1.2
60.04523	0.8
60.95850	2.1
61.02927	1.4
65.03936	1.5
67.05502	3.4
68.05035	2.4
68.99795	0.7
69.03426	5.7
69.07060	4.4
70.02934	1.1
70.04073	0.7
70.06590	19.9
70.95891	0.6
70.98126	1.8
71.01352	1.7
71.04986	2.8
71.56751	0.7
71.57153	0.6
71.95264	6.7
72.04533	1.1
72.08153	4.9
72.93795	1.4
72.96055	2.8
73.02917	5.5
74.93813	1.2
74.97610	1.4
75.94612	2.0
77.00911	1.5
79.05498	1.7
80.05009	0.8
81.03434	1.9
81.07050	3.0
82.06566	3.6
83.01332	6.9
83.01796	0.6
83.04990	5.1
83.06110	1.5
83.06924	0.6
84.04514	1.5
84.06427	0.9
84.08141	8.6
84.96040	0.8
84.99265	4.4
85.02903	3.2
85.07675	0.9
86.06072	1.4
86.09701	3.5
87.04475	0.7
87.05574	0.6
88.99171	2.2
92.94875	0.8
92.98721	0.7
93.03419	0.6
93.07058	1.4
93.95628	1.3
94.06569	2.8
95.01390	0.5
95.04969	3.2
95.06110	1.2
95.08630	1.4
96.04500	2.4
96.06411	0.9
96.08131	2.8
97.02895	4.0
97.06505	2.9
97.07674	2.9
97.08469	0.9
97.96761	1.2
98.03689	0.6
98.06051	6.2
98.09692	7.8
98.97583	10.9
98.98194	0.7
99.04461	0.9
100.02517	0.8
100.07645	2.0
101.00915	1.0
101.02439	0.9
101.06011	2.4
103.00597	0.7
103.02490	1.8
105.00385	0.6
107.00217	1.4
109.02904	0.8
109.92546	0.5
110.06059	1.9
110.07207	2.3
110.97578	0.8
111.00809	4.1
111.04448	2.9
111.05606	1.8
111.06867	1.0
111.07500	8.4
111.08410	0.7
111.09201	9.2
111.09976	1.2
111.53653	0.6
112.02213	0.5
112.04009	0.7
112.07624	9.6
112.08750	14.2
112.09478	1.0
112.11240	0.7
113.02374	2.9
113.03520	0.8
113.07162	0.5
114.05546	1.5
114.09208	1.9
115.02425	1.3
115.08690	0.7
115.96448	0.7
115.97843	1.1
116.00225	0.7
116.07108	1.1
116.97234	13.0
116.98591	14.3
117.01976	0.5
117.04025	0.6
118.01138	0.9
118.03503	1.2
119.01910	11.4
120.02007	2.4
121.01707	1.8
121.03531	1.2
122.06076	2.3
123.08060	0.9
125.01337	0.7
125.02396	1.2
127.03962	0.9
127.12157	0.5
128.06230	0.8
128.98651	1.8
129.01837	2.6
129.05528	0.6
129.07048	1.7
130.06555	0.5
130.08615	4.5
131.01904	4.7
133.01672	3.9
133.03464	11.3
133.05165	1.2
133.97545	0.9
133.98865	1.5
134.02940	0.8
134.03795	0.7
134.04784	0.8
134.99643	21.8
135.03278	0.8
135.05023	0.7
137.02946	4.4
137.03804	0.4
138.03102	1.1
139.00333	0.8
139.02713	0.7
139.03943	1.2
139.05917	0.7
139.08636	1.3
139.09561	1.1
140.07088	3.4
140.10704	6.0
142.01100	0.6
142.03563	0.8
142.07864	1.2
142.96602	1.7
143.02113	0.7
143.03535	0.7
145.03534	1.4
146.99626	3.5
147.05070	2.2
148.03940	0.6
148.96240	2.2
149.01212	0.7
149.03017	1.8
150.96944	1.6
151.02734	1.8
151.04543	4.4
151.06390	0.7
151.97150	1.6
152.03905	0.5
152.05902	1.0
152.96915	5.4
153.00717	4.0
156.05138	0.6
157.01344	9.1
157.03522	1.9
157.05037	3.0
157.06216	0.8
157.07753	0.9
157.09619	7.1
157.14244	1.7
158.01331	2.2
158.08127	5.3
158.09387	11.8
158.11752	6.1
158.15404	3.0
160.02214	0.8
160.97574	12.8
160.98889	0.8
161.03014	1.0
165.00703	1.2
165.06190	0.7
170.98019	1.1
174.99123	0.9
175.02670	1.6
175.04587	4.4
175.06221	1.1
175.98671	0.8
176.02332	0.6
178.98592	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01867	2.7
55.05508	11.0
55.93513	2.3
56.96574	1.9
57.03420	3.6
57.04533	1.8
57.07076	100.0
58.07381	1.9
59.04984	1.6
59.06115	1.9
61.75518	1.3
64.54284	1.2
65.03931	5.3
66.74352	1.2
67.05176	1.4
67.05509	20.3
68.05019	1.5
69.03412	5.4
69.07054	4.7
69.25543	6.5
69.25975	7.7
70.95860	24.0
71.05000	6.9
71.06125	1.3
72.04516	1.9
72.93789	71.5
79.05486	3.2
79.58232	1.2
81.03398	4.8
81.04549	1.5
81.07062	15.1
82.06579	1.9
83.04986	11.0
85.02890	1.8
85.06536	14.1
88.96902	9.5
90.94834	21.6
91.05490	2.2
93.03427	2.0
93.07021	3.9
95.04972	18.9
95.06092	1.4
95.08604	11.8
96.05618	2.6
97.03987	1.2
97.06540	7.5
98.07187	3.2
98.98461	12.5
99.04452	8.7
107.08616	1.3
108.95856	5.6
109.02891	6.0
109.06525	13.4
109.10141	10.8
110.07169	2.0
111.04433	13.5
111.08054	3.0
111.98483	8.8
112.01611	1.7
112.08698	1.8
113.06028	10.3
113.08230	1.5
113.96404	21.6
114.06614	2.0
123.04394	2.9
127.03937	4.5
127.07542	5.3
129.05450	1.6
129.99495	4.5
131.97435	24.7
132.95822	16.8
137.02351	8.4
137.05946	5.4
137.09575	2.9
138.06584	2.2
140.04694	1.7
141.06979	3.2
149.97186	3.1
150.96889	56.1
153.07039	1.4
155.03365	3.7
155.07024	19.3
155.08470	5.7
155.10632	3.3
155.13004	2.1
155.14288	3.2
155.97441	2.3
156.08069	2.9
168.97939	2.8
173.98521	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.5
53.03941	1.4
55.01878	0.9
55.05512	7.2
55.93533	1.2
56.96556	0.8
57.03436	3.1
57.04564	0.5
57.07074	100.0
58.07412	1.6
59.04999	1.0
59.06126	0.8
65.03941	1.7
67.05505	8.9
69.03439	1.8
69.04555	0.6
69.07073	3.1
70.06604	0.6
70.95862	12.5
70.96232	0.8
71.01364	1.2
71.05002	3.8
71.06122	0.6
71.08635	1.7
71.57909	0.8
72.04508	0.9
72.93787	23.5
73.06559	0.7
79.05509	1.7
81.03422	1.5
81.04555	0.6
81.07053	13.7
82.06579	0.7
82.07383	1.0
83.04985	5.0
83.08624	1.0
85.02898	0.9
85.06541	16.6
86.06872	0.5
88.96895	5.2
90.94823	7.2
91.05486	1.2
93.07071	1.1
95.04964	6.5
95.06120	0.8
95.08602	8.7
95.09165	0.7
96.05606	0.6
97.06547	2.4
98.07187	1.4
98.98447	2.6
99.04469	2.6
99.08098	2.2
106.97935	0.8
108.95890	1.4
109.02895	1.7
109.06541	3.1
109.10159	5.1
110.06017	1.0
110.07185	1.1
111.04433	5.7
111.08096	1.4
111.98476	4.0
113.05997	3.7
113.07104	0.9
113.08264	0.7
113.96400	5.2
114.06668	0.8
115.05447	0.5
123.04466	0.9
127.03962	2.5
127.07589	2.3
129.99487	2.4
131.96121	0.4
131.96486	0.8
131.97435	6.0
132.95831	8.9
137.02377	1.9
137.06003	1.5
137.09628	0.9
137.13194	1.2
138.06604	1.0
140.01674	0.5
140.04745	1.5
140.07922	0.8
141.06984	6.7
149.97276	1.5
150.96883	30.9
153.07018	0.7
155.03458	1.5
155.07115	6.3
155.08943	6.2
155.10680	1.3
155.12999	1.0
155.14346	3.5
155.97455	1.0
156.08025	1.0
156.09268	4.9
168.98009	1.9
173.98567	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03947	0.9
55.01867	1.8
55.05511	19.0
56.05840	0.6
56.96564	0.6
57.03433	3.5
57.07068	2.0
59.05002	4.3
64.18016	0.3
65.03938	3.4
65.04246	0.5
67.05503	100.0
68.05840	2.3
68.45287	0.3
69.03424	1.2
69.07061	2.2
69.96159	0.4
70.84674	0.4
70.95866	1.4
71.04992	3.1
71.38362	0.8
72.93786	13.7
79.05494	3.5
81.03419	1.1
81.07053	14.2
83.04989	2.4
83.08620	4.7
85.06546	1.8
89.02374	0.5
90.94826	4.2
91.05476	5.4
93.07036	2.9
95.04974	2.4
95.08602	4.2
98.98486	2.9
99.04488	1.3
107.08576	1.8
108.95879	0.9
109.02883	0.7
109.06517	0.9
109.10155	17.3
111.04413	2.2
111.08060	2.7
111.98516	0.4
113.06020	1.6
113.96394	4.4
115.05466	0.7
119.08592	1.5
127.03947	0.7
127.07598	1.2
128.06189	0.6
129.05501	0.8
129.07018	0.6
129.99571	0.6
131.97430	6.1
132.95871	1.1
137.05940	0.5
137.09654	1.3
149.97241	0.8
150.96898	3.3
153.06949	2.1
154.99026	0.9
155.03421	0.9
155.07057	3.0
155.08585	7.1
155.10542	0.6
171.84975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.49532	0.3
55.01869	1.9
55.05511	18.5
55.93542	0.3
56.96568	0.6
57.03437	3.0
57.07080	1.9
59.05000	4.7
65.03937	3.2
67.05506	100.0
68.05840	2.1
69.03436	1.2
69.07066	2.3
70.95856	1.4
71.04990	3.5
71.13619	0.6
72.25706	0.3
72.93789	11.2
73.02927	0.4
78.00598	0.3
79.05495	3.3
81.03429	0.4
81.07056	15.5
81.90408	0.2
82.07391	0.6
83.04987	2.2
83.08624	4.7
84.08181	0.3
85.02911	0.4
85.06541	2.3
88.96928	0.5
90.94826	3.9
91.04938	0.2
91.05483	5.3
92.05801	0.4
93.07049	2.1
95.04976	1.8
95.08610	4.5
98.98475	2.9
99.04474	0.7
99.08128	0.3
107.08606	1.6
108.95901	0.8
109.02882	0.5
109.06541	0.8
109.10160	18.0
110.10532	0.6
111.04468	1.7
111.08082	3.2
111.98506	0.4
113.06023	1.5
113.96409	4.5
113.97170	0.4
115.05473	0.8
119.08598	0.9
123.04485	0.5
127.07613	0.6
128.06265	0.4
129.05493	0.3
129.07037	0.6
131.96346	0.4
131.97443	4.7
132.95850	0.7
137.02411	0.5
137.06071	0.4
137.09645	1.0
149.97256	1.1
150.96933	2.4
153.06973	1.7
154.07729	0.5
154.99054	0.6
155.03470	0.8
155.07095	2.6
155.08598	6.8
155.10652	0.6
173.98462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03943	2.5
54.03460	0.9
55.01877	3.1
55.05511	9.9
55.58203	0.4
55.93523	3.0
56.05024	1.5
56.96565	20.0
57.03429	1.8
57.04541	0.5
57.07076	0.8
58.06591	0.8
59.06117	1.4
60.04510	0.6
61.01141	0.8
65.03941	6.6
67.01871	0.7
67.02962	0.7
67.05505	6.1
68.05013	2.6
68.99798	1.1
69.03428	5.2
69.04556	1.0
69.07069	1.3
69.80279	0.6
69.96178	2.1
70.02980	1.0
70.06621	2.3
70.95863	34.8
71.01357	1.0
71.04996	2.5
71.06108	0.6
71.14989	1.0
71.94093	0.8
72.04514	1.2
72.08138	0.7
72.93787	37.3
73.02911	1.5
73.06551	3.1
74.97584	0.5
79.05494	2.6
80.05000	0.8
81.03422	6.2
81.04536	2.0
81.07057	5.8
82.02963	0.6
82.06569	2.0
83.04482	0.7
83.04980	11.3
83.05465	0.9
83.06098	2.1
84.04496	0.9
84.08130	1.2
85.02915	3.5
85.06538	0.7
86.06066	1.3
87.04463	0.9
88.96899	17.9
90.94827	13.8
91.05477	1.5
93.03384	0.7
93.04507	0.6
95.01328	0.8
95.04969	9.5
95.06055	2.2
95.08593	1.8
96.04508	1.2
96.05641	0.9
96.08122	1.1
97.02901	2.4
97.04016	1.7
97.06503	2.3
97.07650	0.9
98.06036	0.6
98.07183	1.8
98.97571	5.9
98.98457	4.7
99.04465	4.5
99.05564	0.5
105.04482	0.7
106.97923	3.1
107.06117	0.6
108.95875	4.9
109.02879	7.0
109.06503	4.4
109.07661	1.4
109.08424	0.5
109.10168	1.9
110.01239	0.7
110.06057	3.6
110.07163	4.2
110.09668	1.4
111.03714	0.9
111.04449	16.0
111.05588	0.8
111.08053	1.5
111.09204	1.3
111.98467	12.4
112.01569	1.8
112.04005	0.7
113.02366	1.2
113.06015	7.1
113.07172	0.8
113.08258	0.9
113.96398	5.0
113.98663	0.7
114.06616	1.3
114.94801	0.8
116.98613	5.2
119.01877	1.4
120.05582	0.5
123.04424	2.8
123.05616	0.4
125.02354	1.4
126.96924	0.5
127.03909	6.9
127.07555	3.3
127.08644	0.7
128.02310	0.8
128.07129	0.5
128.08208	0.7
128.98610	0.5
129.05489	1.6
129.99525	8.8
131.01909	0.9
131.96252	2.2
131.97433	5.8
131.99716	2.1
132.95834	24.5
134.01282	1.0
134.99632	3.3
137.02341	15.3
137.03409	0.9
137.05971	2.9
137.07066	1.4
137.08060	1.1
137.09598	0.7
138.05502	3.0
138.06601	1.5
138.09102	0.8
140.04671	3.1
146.99686	1.0
147.03311	1.5
149.97194	9.4
149.98308	0.5
150.00711	3.8
150.96884	100.0
153.00955	1.0
154.90765	2.5
154.94130	0.8
155.03383	6.4
155.04671	2.7
155.07045	15.1
155.08174	1.4
155.09206	1.9
155.10600	1.2
155.11821	1.3
155.97423	5.1
156.06543	0.9
156.07733	2.0
156.10114	0.9
156.11327	0.7
158.99641	1.5
164.05211	1.6
165.04382	1.5
167.98311	1.4
168.01752	0.7
168.97975	6.3
172.95276	2.2
172.98834	0.8
173.98488	8.5
174.00732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01854	1.7
55.05261	0.8
55.05509	10.1
55.93531	3.4
56.05020	1.3
56.96563	26.9
57.03423	1.7
58.06584	0.9
58.65272	0.5
59.06107	1.0
65.03937	6.3
67.05502	6.5
68.05020	1.7
68.99798	1.0
69.03426	4.5
69.04535	0.6
69.05374	0.6
69.07068	0.7
69.96170	3.2
70.06583	2.3
70.73800	0.5
70.74154	1.7
70.95863	35.2
70.98133	1.0
71.01334	1.5
71.04975	1.9
71.06120	0.7
71.94085	1.5
72.04504	1.1
72.82361	0.5
72.93784	42.7
73.02896	1.4
73.06555	3.1
74.97619	0.6
79.05482	1.8
80.05005	0.7
81.03410	5.3
81.04530	1.4
81.07048	4.7
82.06563	2.0
83.04977	10.2
83.06086	1.6
84.04488	1.6
84.08118	1.0
85.02904	3.4
85.06532	1.3
88.96895	18.2
88.99111	0.7
89.02399	0.9
90.94827	13.2
91.05468	1.6
93.03378	1.2
93.04466	0.7
93.07032	1.3
95.01347	0.5
95.04972	7.1
95.06074	1.3
95.08599	2.1
96.04502	1.2
96.05659	1.4
96.08147	0.6
97.02884	2.3
97.03970	1.2
97.06489	1.3
97.07645	0.7
98.06036	1.0
98.07169	1.6
98.97577	6.6
98.98468	7.3
99.04454	3.6
99.05524	0.7
100.03975	0.7
106.97926	3.6
108.06844	0.5
108.95857	3.6
109.02872	7.7
109.04023	0.6
109.06529	4.9
109.07626	1.4
109.10139	1.7
110.06038	2.4
110.07166	5.4
110.97514	0.7
111.03725	1.2
111.04443	15.1
111.08031	0.8
111.09203	1.2
111.98471	13.4
112.01535	0.9
112.99090	0.7
113.06006	5.6
113.07138	0.5
113.08218	0.8
113.96394	6.0
113.98643	1.2
114.06664	1.0
114.94719	0.6
116.98627	5.4
119.01864	1.3
123.04405	1.5
125.03648	0.6
127.03902	7.2
127.07552	3.3
127.08358	0.5
128.98563	0.8
129.05457	1.2
129.99510	10.0
131.01898	1.5
131.96194	2.8
131.97433	6.2
131.99675	2.3
132.05063	1.4
132.95825	26.4
134.01280	0.9
134.99654	3.7
137.02321	7.6
137.05977	2.2
137.07005	1.2
137.08034	0.7
137.09642	0.8
137.10689	0.7
138.05482	2.7
138.06544	1.8
140.04669	2.4
145.01782	0.6
146.99619	1.7
147.03261	2.2
148.02725	0.7
149.01233	1.1
149.02937	1.0
149.96202	0.6
149.97215	12.5
149.98396	0.8
150.00717	5.4
150.06087	1.2
150.96880	100.0
153.01099	0.9
154.90730	2.7
154.94180	1.0
155.03378	5.2
155.04633	3.2
155.07045	13.6
155.08185	1.4
155.09250	1.1
155.10513	0.5
155.11786	1.0
155.97423	4.1
156.06509	1.6
156.07707	1.2
156.11369	0.6
156.13855	1.0
158.99698	1.5
163.02708	0.5
164.05153	1.1
165.04311	2.0
167.98236	1.7
168.01793	1.0
168.97955	6.9
172.95239	2.4
172.98851	1.0
173.98495	8.2
174.00725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94493	0.2
53.03928	0.5
55.01870	0.4
55.05510	6.6
56.05024	0.8
56.83096	0.2
56.96559	0.3
57.03437	0.5
57.07071	3.4
57.43709	0.2
58.06591	0.5
59.04992	0.3
64.62427	0.2
65.03925	0.4
67.05504	1.1
68.05019	0.5
68.05835	0.3
69.03423	0.8
69.07053	0.7
69.94379	0.8
70.06594	1.3
71.04989	0.5
72.04491	0.2
72.08147	0.3
72.93789	1.9
76.12953	0.2
79.05496	2.5
80.05016	0.3
80.05821	0.3
81.07050	9.1
82.06582	2.0
82.07368	0.7
83.04964	0.7
83.06087	0.3
83.07339	0.7
83.08610	1.4
84.04496	0.6
84.08129	0.6
85.06538	0.8
87.71726	0.2
90.94821	0.4
91.05463	0.7
93.05793	0.5
93.07038	0.4
94.06557	0.4
94.07379	0.4
95.04946	1.6
95.06078	0.5
95.08599	0.9
96.04485	0.9
96.05281	1.8
96.08105	0.6
97.05264	3.9
98.06051	3.6
98.09682	2.3
98.98486	0.4
108.04469	0.2
108.08122	3.0
108.08872	0.5
109.06509	7.2
109.07664	0.5
109.10141	0.6
110.06059	5.0
110.06856	0.9
110.66734	0.2
111.04446	0.6
111.06823	5.1
111.08039	0.3
111.09200	0.4
112.08553	0.4
113.06002	0.4
113.07130	0.2
113.96394	0.8
114.06667	0.2
121.06567	0.3
123.81928	0.2
124.07587	0.6
125.08381	0.9
126.05502	0.2
126.09144	4.1
127.03946	0.3
130.96243	0.3
131.97423	0.7
136.07562	0.6
136.08488	0.3
137.02341	0.4
137.05960	0.3
137.07060	0.3
137.09586	0.2
138.05492	0.7
139.05267	0.4
139.06297	5.7
139.07510	1.0
144.19481	0.2
148.97327	0.6
149.97195	0.3
152.07063	0.6
154.08617	100.0
155.07039	0.6
155.08986	3.2
155.14326	0.4
172.20306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.03468	0.3
55.01885	0.3
55.05501	0.6
55.93518	0.5
56.05014	0.3
56.96566	7.2
57.03434	0.9
58.06599	0.6
58.99861	0.5
59.57328	0.3
60.08162	20.3
60.95847	0.5
65.03930	0.6
67.04240	0.5
67.05483	0.7
68.05029	6.8
68.96334	0.5
69.03417	1.3
69.94095	1.6
69.96170	0.7
70.94277	0.3
71.04990	0.6
71.95258	0.8
72.93779	1.3
73.02916	0.5
79.39634	0.3
80.05016	0.6
81.03403	0.8
81.07066	0.5
83.04978	0.5
84.04496	0.3
85.02906	1.3
90.94838	0.3
91.02339	0.7
94.06551	0.4
95.06087	100.0
96.06428	2.5
97.02876	1.7
97.07678	0.3
97.64766	0.3
98.97592	0.9
99.04422	0.5
101.00867	0.6
102.02374	0.3
108.04481	0.5
108.08124	0.6
109.02869	0.6
109.06506	0.8
109.98951	0.3
110.02258	0.3
110.06056	1.1
111.03193	0.5
111.04449	0.8
113.00856	0.7
113.06062	0.4
113.96365	0.4
116.98605	0.7
119.01904	4.0
122.06008	0.4
122.07156	0.4
123.06825	0.5
126.05519	2.5
127.03914	0.4
131.00179	1.0
131.01909	7.2
131.96123	0.9
131.97433	0.5
132.05034	0.6
133.03391	0.3
134.99614	0.4
136.07591	1.6
138.54950	0.3
145.01714	0.5
148.97383	0.7
149.01193	1.3
149.02948	2.8
149.97183	2.1
154.03647	0.4
154.04977	7.6
154.06175	0.7
154.07515	0.4
154.08615	1.3
154.13388	33.4
154.90807	0.5
154.94189	0.4
155.03407	0.5
155.05321	0.3
155.07019	0.7
155.11832	0.4
155.13780	1.8
163.02748	1.3
163.04431	0.6
172.95245	0.9
173.02940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03928	8.0
55.01861	7.6
55.05262	2.9
55.05510	26.6
56.96564	4.4
57.03426	6.1
57.07062	3.1
59.05003	25.6
59.73318	2.4
63.14832	2.2
65.03937	21.4
67.05503	38.5
68.05017	4.8
68.99796	3.5
69.03413	9.5
69.04533	2.9
69.07061	25.0
69.53776	18.2
70.06616	4.8
70.94258	5.3
71.01363	3.1
71.04984	27.1
71.94066	2.4
73.06561	17.8
79.05486	57.7
80.05829	2.6
81.07049	100.0
83.04986	19.1
83.08614	5.1
84.04491	6.2
85.02895	2.9
87.74324	2.3
91.05480	20.8
93.03396	8.6
93.07039	64.1
95.04950	18.7
95.06102	5.0
95.08602	21.5
97.06525	25.3
105.07035	7.9
107.04953	10.4
107.08590	66.1
109.06507	8.3
109.07633	5.0
109.10137	23.2
109.98939	2.3
110.03662	9.1
111.04451	46.4
111.08059	14.5
112.08724	5.0
113.05882	7.5
117.06947	4.2
119.06061	2.9
125.05992	18.1
125.09616	7.1
135.04422	5.9
135.08099	12.3
135.11684	24.6
136.07599	4.7
138.03122	4.4
148.97374	3.7
153.01799	6.9
153.05470	21.2
153.09146	13.2
153.11349	9.8
153.12749	23.1
153.58820	2.4
154.04996	4.6
161.07715	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03930	3.4
55.01855	3.1
55.05513	16.5
56.96548	2.8
57.03434	6.1
57.07071	2.4
59.05001	13.0
59.82547	0.9
65.03941	18.5
66.67682	1.1
67.05505	41.0
68.05003	2.5
68.05830	0.9
68.99778	1.5
69.03432	8.3
69.07069	25.5
70.06582	2.4
70.94243	3.3
71.04994	14.5
71.42687	2.0
72.08156	1.3
73.06541	1.9
79.01823	1.9
79.05488	19.2
80.05763	1.0
81.03421	1.3
81.07057	31.5
83.04983	13.7
83.08621	7.1
84.04489	1.1
85.06539	1.5
91.05473	13.9
93.03384	2.6
93.07041	53.7
94.07381	1.9
95.04965	13.1
95.06039	1.2
95.08607	47.7
97.02873	1.6
97.06527	29.9
105.07049	5.4
107.04946	5.2
107.08592	80.1
108.08909	2.3
109.06522	5.4
109.10155	100.0
110.03645	3.7
110.07167	1.1
110.10472	3.4
111.03699	1.9
111.04433	26.4
111.08076	16.1
111.96826	1.0
112.04759	1.9
112.08662	3.1
113.05907	0.9
119.08589	2.7
120.48623	0.9
121.02871	1.5
123.04412	1.2
123.08025	1.2
123.11750	1.0
124.08847	1.3
125.05986	8.5
125.09624	2.7
126.09191	1.2
129.97899	1.0
130.87360	1.0
131.63264	0.9
135.04405	2.8
135.08038	5.7
135.10696	2.2
135.11696	38.8
136.08649	1.3
136.12086	1.0
138.03113	1.3
144.53490	0.8
148.97386	2.8
149.01187	1.1
149.03532	0.9
153.01836	13.9
153.05464	8.5
153.09106	5.6
153.11392	4.8
153.12733	53.2
154.04984	4.1
154.08617	2.0
154.09755	1.6
154.13107	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0498
Annotation	2-Nitroanisole
Peak:m/z	Relative Intensity
53.03952	1.6
54.03463	0.8
55.01867	0.9
55.05515	1.7
56.05026	1.2
56.96564	3.7
58.06590	0.5
58.80591	0.3
60.08167	0.3
60.95848	0.3
65.03949	2.6
66.04261	0.3
67.04240	0.6
67.05511	1.8
68.05028	3.1
68.96336	2.4
68.99784	0.4
69.03436	1.5
69.04551	1.1
69.07069	0.6
69.96165	0.4
70.02954	0.7
70.06590	2.0
70.94261	2.3
71.56920	0.5
71.94106	0.3
72.04511	0.7
72.08154	0.4
72.93791	2.4
74.06065	0.3
79.05485	0.7
80.05013	2.0
80.05798	0.3
81.03411	1.7
81.04529	0.8
81.07081	1.3
82.02953	0.5
82.06568	1.9
83.01321	0.3
83.04994	1.9
83.06094	1.1
84.04509	1.2
84.08144	0.7
84.96027	0.3
85.02901	0.6
85.04005	0.3
86.06059	0.4
86.97362	1.2
88.95274	0.6
90.94842	0.5
91.05482	0.7
92.04993	1.9
93.03380	0.5
94.06580	1.2
95.01335	0.8
95.04983	2.9
95.06090	2.5
96.04512	1.7
96.08138	0.7
97.02886	0.6
97.04012	0.4
97.07645	0.8
98.06040	1.1
98.97575	1.4
98.98460	1.0
99.04438	0.6
99.05603	0.4
107.04955	5.9
107.06038	0.3
108.02065	0.4
108.04476	2.4
108.05199	0.5
108.08128	1.6
108.08765	0.3
109.02911	1.7
109.04001	0.4
109.05248	0.3
109.06517	1.1
109.07635	1.9
109.98935	0.8
110.03608	0.4
110.06042	8.0
111.03178	1.2
111.04439	3.9
111.05572	0.3
111.09200	1.1
112.04000	0.6
112.04778	0.8
112.07582	0.7
112.08704	0.5
113.06034	0.8
113.07133	0.7
113.96422	0.5
114.76643	0.3
116.98625	1.4
123.00761	0.5
123.04410	0.8
124.07548	0.3
126.05520	17.4
126.07758	0.8
126.09158	0.6
127.03914	1.6
127.04988	0.4
127.05928	0.6
127.07537	0.6
127.99986	0.3
128.98639	0.5
130.96295	1.8
131.00154	0.4
131.01865	0.3
131.96219	0.4
131.97421	1.0
131.99695	0.3
134.99658	0.9
136.03938	1.2
136.04939	0.5
136.07570	3.7
136.08646	0.9
137.02338	3.5
137.04646	0.8
137.05969	0.6
137.07001	0.5
137.10722	0.7
140.03423	1.1
140.04697	0.9
146.99657	0.6
148.97356	7.7
149.01195	0.4
149.97183	2.3
150.00720	0.6
153.01837	0.4
154.04988	100.0
154.08594	2.3
154.09755	1.5
154.13376	1.0
154.90776	0.7
155.03371	1.2
155.05449	1.9
155.07013	1.9
155.08119	0.5
165.04306	0.4
166.98457	0.5
167.02249	0.4
171.98935	0.7
172.98819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	3.1
55.01859	2.9
55.05269	1.2
55.05514	18.7
57.03439	5.6
57.07058	3.7
59.05003	14.3
65.03941	20.3
67.02986	0.9
67.05503	43.0
68.96321	1.4
68.99796	1.7
69.03431	8.3
69.04540	1.1
69.07066	26.5
70.06568	2.7
70.94241	3.4
71.05000	13.5
71.58057	1.5
72.08163	1.5
73.06551	2.6
76.03580	0.8
77.41679	0.8
79.01849	1.1
79.05064	1.4
79.05492	21.2
81.03416	1.5
81.07057	31.0
83.04977	15.0
83.08622	6.7
84.04483	3.3
85.02865	0.9
85.06532	2.2
88.95282	1.1
91.05482	18.8
93.03400	2.8
93.07044	56.0
94.07361	1.5
95.04969	17.2
95.06059	3.2
95.08607	44.3
96.08907	1.7
97.02880	2.2
97.06527	29.7
105.07036	5.5
107.04950	4.9
107.08595	78.4
108.08904	2.8
109.06531	7.3
109.07638	2.3
109.10154	100.0
110.03640	4.3
110.07121	1.2
110.10470	3.4
111.03704	1.6
111.04445	30.4
111.07375	1.2
111.08081	19.4
111.09202	2.0
111.11734	2.0
111.96843	1.6
112.04759	1.2
112.08740	4.5
113.05846	1.4
117.06981	1.3
119.06034	1.2
119.08597	2.5
121.02878	2.1
121.06480	1.2
123.08054	0.9
123.11655	1.1
125.02348	1.5
125.05991	9.7
125.09632	4.6
126.05542	1.0
129.89113	0.9
129.97908	1.7
130.96310	1.2
135.04381	3.0
135.08057	6.2
135.11691	42.6
136.07602	1.1
136.08604	2.0
136.12015	1.6
138.03098	1.9
138.06731	1.1
148.97346	1.1
153.01808	16.6
153.05473	9.9
153.06647	1.7
153.09140	7.2
153.11356	8.6
153.12727	58.6
154.04973	3.5
154.08577	1.5
154.13135	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.81750	1.1
53.03942	6.9
55.01871	6.1
55.05512	19.7
56.96553	4.5
57.03423	2.9
57.07073	2.6
59.04995	3.8
59.73860	1.4
65.03937	20.8
67.05502	33.2
68.99780	1.7
69.03432	9.0
69.07072	32.3
70.07399	1.2
70.93813	1.2
70.94221	8.9
70.95870	1.5
71.04993	100.0
71.94113	7.0
71.95264	10.2
73.06535	2.8
79.05491	89.2
79.98782	1.5
80.05869	2.0
81.03409	2.5
81.07056	31.2
81.11324	1.5
82.04197	1.7
83.04976	24.2
83.08614	2.5
84.04494	4.4
85.06541	6.1
87.08085	3.1
88.95306	3.0
89.96358	1.4
91.05476	19.2
93.03389	2.0
93.07040	84.3
94.07371	2.1
95.04975	16.1
95.08601	28.9
97.02886	2.5
97.06528	45.9
105.04510	1.6
105.07037	6.5
107.04939	4.5
107.08591	17.2
108.04482	1.5
109.06501	5.0
109.10153	5.6
110.03642	3.9
110.07309	1.6
110.10548	1.4
111.04440	31.9
111.08082	20.2
111.96862	3.6
112.07581	1.5
112.96719	1.5
118.54717	1.2
121.10144	15.8
125.02374	1.7
125.05991	10.6
125.09605	3.6
126.05498	2.1
129.97913	3.3
135.04460	3.2
135.08043	4.6
135.11684	4.8
136.03923	1.2
136.07594	1.7
138.06723	1.2
148.97392	4.1
149.01190	1.7
153.01862	13.2
153.05469	7.5
153.06848	2.3
153.09111	9.1
153.10222	2.1
153.12747	24.1
154.05022	5.9
154.08623	2.6
165.31857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.69090	0.3
53.03941	0.9
55.01870	30.1
55.05510	8.6
56.96557	1.3
57.03429	1.0
57.29327	0.3
65.03938	7.2
67.05505	12.6
68.96341	0.4
68.99791	2.2
69.03426	1.6
69.07066	3.4
69.30211	2.2
69.30634	1.6
70.94247	1.5
71.04991	0.7
71.94097	1.3
71.95269	1.2
79.01850	0.6
79.05066	0.5
79.05489	7.4
80.04946	0.4
81.03426	0.6
81.07056	2.4
83.04978	55.1
83.08601	1.7
84.04504	0.6
84.05314	1.3
85.02909	0.6
88.95251	0.4
91.05479	4.6
93.03407	2.9
93.07038	10.0
94.07386	0.4
95.04957	2.6
95.06081	0.4
95.08604	1.4
97.02908	0.8
97.06523	8.5
99.04453	19.4
103.63643	0.3
105.07031	1.1
107.01293	0.4
107.04930	2.0
107.07883	0.4
107.08592	7.9
108.04419	0.4
109.06508	2.0
109.10146	1.5
110.03658	0.9
111.04437	100.0
111.08067	4.9
111.96863	0.6
112.04789	2.6
112.96700	0.4
117.07011	0.7
125.05994	3.4
125.09634	2.4
129.05490	1.8
129.97852	0.4
135.04385	1.0
135.08054	2.0
135.11690	0.9
136.06326	0.3
136.07562	0.6
143.03354	0.4
149.01071	0.3
153.01851	2.6
153.05429	2.4
153.06641	0.7
153.09084	5.0
153.12750	1.9
154.04945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
53.03934	2.8
55.01881	4.9
55.05511	19.3
56.96568	5.7
57.03439	7.2
57.07064	3.7
59.04987	1.8
59.72176	0.9
64.27235	0.8
65.03936	19.1
67.05505	46.4
69.03428	7.0
69.07066	65.0
70.49120	3.4
70.94243	4.5
71.04983	4.7
71.94106	7.0
71.95269	10.3
78.49438	0.9
79.01858	1.6
79.05492	47.0
81.03378	1.5
81.07056	53.1
82.04176	1.1
83.04980	19.8
83.08615	7.6
84.04493	2.3
85.02861	1.5
85.06538	4.1
88.95287	1.4
91.05481	11.9
93.03416	2.1
93.07043	67.4
94.07368	2.1
95.04978	9.6
95.08607	28.5
97.02872	1.6
97.06528	31.7
99.04501	1.3
105.06992	2.6
107.04950	3.5
107.08596	69.6
108.04471	1.2
108.08894	3.2
109.02898	1.3
109.06510	4.0
109.10156	43.0
110.03660	4.1
110.10472	2.2
111.04449	32.6
111.08066	11.7
111.11706	1.0
111.96848	1.8
112.04765	2.7
112.96658	2.0
117.07019	1.1
125.05991	10.6
125.09597	2.0
125.94379	1.1
126.05478	1.3
126.06336	2.1
129.97913	2.4
135.08087	2.5
135.11691	100.0
136.03883	1.5
136.12030	3.9
138.03123	1.4
138.05066	1.7
143.03387	1.2
148.97305	1.0
153.01831	4.0
153.04269	1.8
153.05476	9.4
153.07466	5.2
153.09164	6.7
153.12740	66.6
154.04973	4.0
154.13065	2.1
154.15843	1.0
167.63353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02369	0.5
52.13981	0.4
53.03940	1.6
54.03474	0.5
55.01876	4.9
55.05508	15.6
56.96540	0.5
57.03434	4.1
57.07064	1.0
59.04998	3.3
65.03941	9.5
67.05505	15.1
68.05005	0.9
68.96346	1.0
68.99785	1.5
69.03427	9.8
69.04514	0.7
69.07071	6.4
70.06598	0.9
70.94252	1.1
71.01357	0.8
71.04994	3.0
71.06921	1.4
72.08161	0.8
73.06534	1.0
73.99551	0.5
77.03967	0.5
79.05492	27.6
80.05837	0.8
81.03413	0.8
81.04549	0.6
81.07052	20.3
82.07397	0.5
83.01372	0.5
83.04978	28.4
83.08622	2.2
84.04492	0.5
84.05294	0.8
85.02896	0.9
91.05476	19.2
92.06288	0.6
93.03418	1.5
93.07042	22.7
94.06520	0.5
95.04965	100.0
95.08609	4.4
96.05296	1.9
97.02887	1.1
97.06532	6.7
105.04526	0.7
105.07027	7.3
107.04951	3.5
107.08587	46.2
108.08913	1.9
109.06512	41.3
109.07698	1.3
109.10148	6.0
110.03646	2.2
110.06100	0.6
110.07320	0.9
111.04431	13.7
111.05578	1.0
111.08074	38.7
112.08739	1.1
112.81092	0.5
113.05833	0.7
115.05453	1.0
117.07027	2.2
119.06074	0.9
121.02894	1.1
121.06533	0.9
123.08092	0.6
125.05991	5.0
125.09628	21.4
126.05613	0.6
126.09158	0.6
126.10157	0.7
130.96342	1.0
135.04404	1.1
135.08052	9.8
135.11638	2.9
136.07556	1.2
136.08580	1.0
138.03078	0.6
138.06746	1.2
139.07553	4.1
148.97340	2.4
153.01817	3.3
153.05496	4.1
153.09114	12.3
153.10341	0.8
153.11400	3.2
153.12761	3.7
154.04985	1.7
154.08623	1.8
154.09796	0.9
158.29468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.00295	0.7
53.03942	4.0
55.01870	8.9
55.05507	40.0
56.05838	1.1
56.96560	0.8
57.03440	5.1
57.07069	1.1
59.04778	0.6
59.04999	5.9
65.03940	19.7
67.05502	25.2
68.05025	2.4
68.05830	0.9
68.96318	1.5
68.99784	2.7
69.03083	1.4
69.03428	20.9
69.04541	0.7
69.07066	12.2
69.83184	2.6
69.83598	1.9
70.06573	3.0
70.94252	2.4
71.01353	1.0
71.04992	5.5
72.08145	1.4
73.06554	3.5
74.62476	0.8
77.08695	0.8
79.05489	38.7
80.05808	2.0
81.03421	2.0
81.07051	32.4
82.06611	1.2
82.07399	1.1
83.04976	71.2
83.08604	4.6
83.39082	0.7
84.04510	1.6
84.05314	1.1
84.08131	0.9
85.02903	1.0
85.06546	0.8
88.95296	1.4
91.05471	28.9
92.05788	0.9
92.06301	0.9
93.03401	4.4
93.07039	37.0
94.06572	1.1
95.01346	0.8
95.04962	100.0
95.06000	2.6
95.08605	8.6
96.05304	2.5
96.08134	1.1
96.08928	1.3
97.02892	2.6
97.05270	1.1
97.06524	18.2
97.07658	0.7
97.08481	1.0
97.10190	1.4
98.06084	1.2
105.04517	0.9
105.07021	12.2
107.01313	1.2
107.04953	4.6
107.08586	71.3
108.08150	1.7
108.08903	2.2
109.06513	41.3
109.07670	2.7
109.10143	10.4
110.03637	3.8
110.06108	1.4
110.06837	0.8
110.07229	0.8
110.10495	1.5
111.04436	31.5
111.05585	1.5
111.06828	2.1
111.08072	56.7
112.04751	1.0
112.08634	2.8
113.05872	2.6
117.07011	2.2
119.06086	1.9
121.02875	1.0
121.06505	2.7
124.05161	1.5
125.05985	10.3
125.09624	31.6
125.10564	1.5
126.05531	1.4
126.09146	1.8
126.10152	1.3
129.97966	0.7
135.04390	1.3
135.08041	18.1
135.11650	6.2
136.03935	0.9
136.07594	2.2
136.08636	1.7
138.03099	1.3
138.06729	2.2
139.06360	2.0
139.07544	10.9
139.79132	0.8
148.97348	2.6
153.01898	4.9
153.05478	7.0
153.07643	1.5
153.09111	19.9
153.09998	0.8
153.11380	6.9
153.12753	9.3
154.04958	3.6
154.08620	28.4
154.09769	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02383	0.7
53.03945	2.0
53.47215	0.4
54.03458	0.7
55.01871	4.1
55.02986	0.6
55.05512	10.3
56.05034	1.0
56.96550	0.6
57.03442	2.8
57.07081	0.8
59.05009	3.8
59.92614	0.5
60.31513	0.5
65.03943	15.2
67.02991	0.5
67.05506	42.7
68.05024	1.6
68.05842	0.9
68.96340	1.1
68.99800	1.0
69.03428	5.1
69.04549	1.0
69.07068	8.0
70.06584	1.9
70.94258	1.7
71.01361	0.6
71.04991	9.9
71.06091	0.5
71.57529	0.5
72.08149	1.3
73.02914	1.9
73.06554	4.9
74.01593	0.5
79.01841	0.7
79.05496	34.4
80.05019	0.6
80.05809	0.8
81.03416	1.2
81.04539	1.9
81.07059	39.8
82.06567	0.7
82.07398	1.1
83.01305	0.5
83.04985	14.7
83.06088	1.1
83.08623	2.0
84.04513	2.9
84.08154	0.8
85.02929	0.9
85.06553	0.9
85.07678	0.5
86.97372	0.6
91.05484	14.7
92.05790	0.5
93.03418	5.7
93.07048	21.9
95.04973	100.0
95.06052	2.9
95.08613	5.8
96.04731	0.6
96.05255	2.8
97.02890	1.4
97.06528	8.5
97.07642	0.9
97.10168	0.5
97.78197	0.4
99.06680	0.6
105.04498	0.5
105.07024	4.9
107.01332	0.6
107.04958	5.5
107.08598	47.4
108.05659	0.8
108.08940	1.6
109.06521	10.7
109.07673	1.7
109.10156	9.2
110.03629	2.4
110.06091	0.7
110.07204	1.0
111.04449	32.9
111.08083	15.4
111.08952	0.7
111.09205	1.0
112.04803	0.7
112.07632	0.8
112.08727	1.7
113.05893	2.7
113.07104	0.6
115.05460	0.8
117.07030	2.1
119.06074	1.5
121.02892	0.5
121.06542	0.6
124.08621	0.5
125.05999	6.2
125.09623	4.3
126.05468	0.6
126.06644	0.7
126.10196	0.9
130.96283	0.7
135.04431	1.6
135.08060	11.9
135.11687	6.8
136.07611	1.1
136.08684	1.2
137.07175	0.5
138.03133	1.2
138.06755	1.0
139.03917	0.8
148.97356	3.0
153.01854	3.5
153.05498	6.1
153.06602	0.7
153.07825	0.7
153.09102	10.0
153.10172	1.0
153.11369	4.8
153.12762	6.3
153.13918	0.7
154.05006	2.3
154.06148	0.7
154.08585	1.1
154.09709	1.5
154.12263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.4
53.03931	1.1
54.03455	0.3
55.01871	3.0
55.05268	0.3
55.05511	5.4
56.05026	0.6
56.96564	0.3
57.03436	1.3
57.07067	0.6
59.05004	1.8
65.03942	6.3
65.23445	0.2
65.30935	0.2
67.01863	15.1
67.02986	0.3
67.05503	6.7
68.02190	0.4
68.05017	0.7
68.99788	11.0
69.03427	12.6
69.04543	0.6
69.07066	5.4
69.25598	2.3
69.26010	0.5
70.06583	0.7
70.94246	0.7
71.04996	3.4
72.08136	0.4
73.02917	0.3
73.06550	1.8
79.01851	2.0
79.05492	8.8
80.05002	0.3
80.05792	0.2
81.03412	2.1
81.04525	0.7
81.07056	13.1
82.06568	0.5
83.01337	3.4
83.04980	5.3
83.06094	0.8
83.08626	1.3
83.28107	0.2
84.04507	0.5
84.08149	1.3
85.02898	0.7
88.95301	0.4
91.05482	5.6
92.99796	0.4
93.03416	1.5
93.07043	9.6
94.06548	0.4
95.04966	26.4
95.06052	1.1
95.08608	3.6
96.05273	0.3
97.02890	5.8
97.06528	5.2
97.07601	0.6
97.10153	0.3
98.06058	0.6
105.07032	1.5
107.01324	0.5
107.04955	3.2
107.06055	0.3
107.08591	14.4
108.05573	0.3
108.08114	0.6
109.02897	0.3
109.06507	6.3
109.07654	1.1
109.10154	8.1
110.03645	1.1
110.06028	0.6
110.07175	0.6
111.00146	0.2
111.00786	1.4
111.04443	11.2
111.06863	0.4
111.08076	5.6
111.09204	0.9
112.08702	1.0
113.05871	1.7
117.07008	0.5
119.08603	0.4
123.08076	0.4
125.02332	1.9
125.05998	3.5
125.09623	1.9
126.05495	0.4
126.09187	0.6
126.10284	0.6
127.03901	0.6
129.97876	0.4
134.06018	0.3
135.00792	0.3
135.04456	1.8
135.05368	0.4
135.08064	3.0
135.09035	0.4
135.11685	4.5
136.03973	0.3
136.07561	1.0
136.08585	0.5
137.02303	0.6
137.07149	0.3
138.03116	0.9
138.05504	0.3
138.06718	0.6
139.06253	0.6
143.03508	0.3
148.97331	1.3
153.01825	100.0
153.05396	4.4
153.07664	0.7
153.09102	3.1
153.10175	0.3
153.11348	2.4
153.12737	4.8
154.02167	3.6
154.04984	1.0
154.06111	0.3
154.08623	7.7
154.09650	0.4
154.13243	0.4
163.61513	0.3
170.47710	0.3
171.02884	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03930	0.8
54.03458	0.5
55.01869	0.6
55.02984	0.8
55.05496	0.9
56.05022	1.0
56.96564	9.5
57.03431	0.8
57.07072	0.7
59.05019	0.3
61.02919	0.3
61.84363	0.3
65.03610	0.4
65.03939	6.2
66.04733	0.4
67.01865	0.3
67.04243	0.3
67.05502	2.6
68.05029	1.9
68.05830	0.3
68.99784	0.7
69.03426	1.7
69.07071	0.6
70.06592	1.5
70.19790	0.6
70.20184	0.4
71.04993	0.3
71.95244	0.4
73.02894	0.6
74.97628	0.2
79.01850	0.3
79.05486	3.9
80.02498	0.3
80.05008	1.7
80.05788	0.4
81.03410	1.1
81.04532	0.7
81.05780	0.5
81.07045	1.6
82.04076	0.6
82.06587	1.5
83.00810	0.3
83.01327	0.2
83.04961	0.7
83.06087	1.3
84.08126	0.3
84.96051	0.3
85.02895	1.3
85.06557	0.5
91.05482	0.4
92.05001	2.5
92.05587	0.3
92.05766	0.3
93.03401	0.9
93.04509	0.3
93.05766	1.7
93.07038	1.0
94.06564	2.3
95.04934	1.1
95.06088	0.9
95.08602	0.4
96.04482	1.2
96.05216	0.3
96.08116	2.3
97.02916	1.1
97.06554	0.8
97.07645	1.7
98.97572	3.6
105.06192	0.3
105.06976	0.3
106.06550	2.7
106.07294	0.4
107.03595	0.6
107.04939	3.0
107.06093	0.6
107.07383	0.3
107.08580	0.9
108.04429	1.1
108.08127	1.4
108.08773	0.3
109.02878	0.6
109.05157	2.1
109.06525	0.5
109.07652	2.4
109.10150	0.5
110.03532	10.2
110.06037	15.5
110.07207	0.7
110.97545	0.6
111.03830	0.3
111.04439	7.4
111.05604	0.6
111.06287	0.4
111.09197	1.1
112.06335	0.2
112.09986	0.5
113.05857	0.8
116.98607	3.6
119.01894	0.7
120.04490	0.2
120.05328	0.2
120.16678	0.3
121.02789	0.3
122.06038	3.1
122.06975	0.5
123.04430	0.8
123.06831	1.1
123.08081	0.3
124.03939	0.9
124.04755	0.3
124.07579	2.8
124.08407	0.4
125.04710	2.0
125.05993	3.1
125.07078	0.9
125.09699	0.3
125.10767	0.5
126.05464	0.3
128.04561	6.8
128.05478	0.4
128.21523	0.2
128.98607	1.7
134.04594	1.2
134.06009	4.0
134.07104	0.9
134.09653	0.3
134.99651	2.9
135.03021	6.4
135.04405	1.4
135.05522	0.7
135.06523	0.3
135.08107	0.5
135.09155	1.2
136.01424	0.5
138.03134	0.7
138.05472	1.4
146.97441	0.9
146.99637	3.9
147.01375	0.4
147.03209	0.4
147.05038	0.6
151.03899	0.4
151.90773	0.3
152.01721	1.1
152.05690	64.8
152.07060	100.0
152.10643	1.5
152.11726	2.2
153.01889	1.8
153.04076	34.6
153.05424	2.2
153.07436	3.2
153.08997	0.5
153.11360	0.3
153.12759	0.5
154.02417	1.1
154.04396	0.7
158.99683	0.5
159.03325	0.8
161.01208	0.3
161.02979	0.4
162.99207	0.3
165.00694	0.6
165.06166	0.3
171.05008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
50.08283	0.3
55.01861	0.3
55.02992	1.0
55.05491	0.4
56.96558	2.7
57.03452	0.3
65.03923	1.1
69.03423	0.5
70.06583	0.3
70.54198	0.7
73.02946	0.3
79.05499	0.6
80.02499	0.3
80.05011	0.4
82.04044	0.6
85.02899	0.5
92.04990	1.2
93.05785	0.8
94.06551	0.6
94.85240	0.3
95.04967	0.3
96.08103	0.4
97.02874	0.5
98.97579	0.6
106.06493	0.4
107.03533	1.0
107.04937	0.5
108.08120	0.5
109.05122	2.2
109.07632	0.3
110.03524	12.3
110.06031	5.4
111.04461	1.3
116.98604	0.6
119.01859	0.6
122.06024	1.1
124.03974	0.4
124.07587	0.5
125.04744	0.4
128.03621	0.5
128.04561	8.1
128.98608	0.6
134.04597	1.2
134.06027	0.8
135.03015	13.7
136.01427	0.8
138.05455	0.4
146.99660	1.0
152.05675	100.0
152.07047	41.4
153.04070	46.0
153.05884	1.7
153.07404	1.3
154.02467	0.8
154.04381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	Paracetamol
Peak:m/z	Relative Intensity
53.03923	0.4
53.06041	0.2
55.05504	0.2
56.05037	0.3
56.96568	0.9
57.03423	0.5
60.81730	0.2
65.03931	1.6
67.05495	0.4
68.05022	0.2
69.03453	0.2
71.04964	0.2
71.30857	0.5
73.02924	0.3
78.69514	0.2
79.05495	0.9
80.05032	0.3
81.35096	0.2
92.05004	2.2
93.05786	1.9
93.07035	0.3
94.06549	0.6
95.04960	0.2
96.04456	0.4
96.08118	0.3
97.06503	0.2
97.36266	0.2
99.47223	0.2
106.06535	0.8
107.04954	0.3
107.07335	0.4
108.08118	0.3
109.06535	0.2
110.03516	0.5
110.06039	11.8
111.04438	1.0
111.06339	0.3
119.01884	0.2
122.06026	2.1
123.06773	0.6
124.03938	0.4
124.07569	0.7
125.04736	1.3
125.06023	0.2
128.04539	0.3
128.98596	0.3
134.06010	0.5
138.05472	1.1
146.99605	0.3
152.07054	100.0
153.01903	0.2
153.04070	1.4
153.05305	0.3
153.07387	2.8
156.19893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.73861	0.5
53.03934	1.5
55.01861	1.7
55.05510	4.1
56.73122	0.5
56.96556	0.6
57.03419	1.1
57.07063	1.6
59.04980	1.3
65.03931	2.3
67.05503	12.5
69.03421	2.2
69.07069	3.1
69.90581	2.0
69.90995	0.7
77.03940	0.5
79.05486	8.4
79.57157	0.4
81.03407	1.2
81.07054	22.8
82.07394	0.7
83.04951	1.0
83.06084	0.7
91.05468	9.2
92.05775	0.5
93.07042	7.0
95.04963	7.3
95.08601	9.9
97.06525	2.0
103.05486	0.9
105.03402	0.5
105.07027	15.7
107.04954	1.3
107.08584	8.1
108.02066	0.6
108.05686	1.0
109.06512	18.8
109.10151	13.0
110.07138	1.4
110.10520	0.6
111.04399	0.6
111.07938	3.0
115.05464	0.5
119.06047	0.7
119.08543	0.6
121.06499	2.0
121.10157	2.7
122.07337	0.6
122.10677	0.5
123.03389	0.7
123.04453	1.0
123.08065	8.0
123.11699	4.6
124.07540	0.8
124.08361	0.6
130.94319	0.4
131.08551	0.9
133.06499	0.6
133.10126	7.2
134.06038	0.5
135.07991	0.5
136.08841	2.7
151.02841	1.3
151.03896	4.5
151.05038	1.6
151.07643	3.9
151.11172	100.0
152.07033	0.8
152.11540	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03938	1.0
55.01861	1.7
55.05501	2.6
57.03431	1.1
57.07062	2.0
59.04986	1.2
64.30797	0.5
65.03924	2.1
66.54485	0.5
67.05173	1.0
67.05505	13.7
68.05024	0.6
69.03408	2.4
69.07068	3.6
70.10203	2.8
71.04986	0.6
78.54122	0.6
79.05496	7.9
81.03414	1.8
81.07056	22.5
82.06530	0.6
82.07362	1.2
83.04949	1.1
88.14153	0.6
91.05479	8.6
93.07044	6.8
94.07323	0.7
95.04964	6.3
95.08607	10.8
97.06520	2.3
101.39329	0.6
103.05452	0.7
103.44730	0.6
105.07027	14.6
106.06548	0.5
106.07339	0.8
107.04949	1.6
107.08587	9.1
108.02106	1.0
108.05715	1.4
109.05794	1.2
109.06513	18.6
109.10152	14.6
110.07151	1.1
111.04444	0.9
111.07956	2.7
121.06523	1.3
121.10143	3.6
123.03468	0.7
123.04446	1.0
123.08067	9.1
123.11696	4.4
124.08713	0.7
131.08560	0.7
133.06491	1.0
133.10110	6.9
136.08823	2.7
151.02826	1.6
151.03906	3.8
151.05011	1.1
151.07626	5.0
151.11180	100.0
152.06958	0.7
152.08052	0.8
152.11557	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03937	1.2
55.01873	2.5
55.05505	5.5
57.03422	1.0
57.07074	2.2
59.04979	1.3
65.03938	2.2
67.05500	15.2
68.05016	1.2
69.03423	2.9
69.07059	3.3
71.04972	0.7
71.57373	0.5
71.94759	0.4
75.41392	0.4
77.03898	0.6
79.05489	8.7
81.03397	1.3
81.07047	23.6
83.04969	1.0
83.06095	0.7
91.05472	10.5
93.07037	9.3
94.04184	0.5
95.04958	9.1
95.08605	11.5
96.08078	0.6
97.06507	2.0
100.48749	0.5
103.05439	0.9
105.06306	1.0
105.07021	17.6
106.07327	0.6
107.04926	1.6
107.08586	9.3
108.02088	0.9
108.05707	1.3
108.08859	0.8
109.06513	19.5
109.07632	0.8
109.10146	13.5
110.07261	2.1
111.04436	0.4
111.07941	5.6
115.05450	0.5
118.27486	0.4
119.04908	0.9
119.06033	0.5
121.06481	1.6
121.10135	3.0
122.07277	0.5
123.03428	0.4
123.04400	1.7
123.08066	9.5
123.08949	0.5
123.11687	6.0
124.07578	0.7
124.08603	0.9
126.27890	0.4
131.08575	0.9
133.06483	0.8
133.10117	7.1
136.08841	3.2
141.05365	0.6
151.02797	1.1
151.03888	4.0
151.05040	1.1
151.06442	1.0
151.07645	4.7
151.11168	100.0
152.07051	1.0
152.11493	4.6
169.03419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03945	10.6
55.01855	6.9
55.05510	100.0
56.05817	3.0
57.03413	2.8
57.07059	3.5
59.04982	5.5
61.99376	1.4
65.03941	11.7
67.05499	48.5
68.05022	6.3
68.99791	2.0
69.03429	10.5
69.07066	10.7
70.06562	3.4
71.04984	3.9
71.24260	2.0
71.24577	2.6
76.24044	1.5
77.03888	1.8
78.22518	1.6
79.05070	2.3
79.05490	31.6
81.03412	3.4
81.07050	87.8
82.06590	2.0
82.07384	4.3
83.04992	2.3
83.06086	3.4
89.14788	1.7
91.05478	39.9
92.05815	1.7
93.06481	2.4
93.07035	35.9
94.06547	2.9
95.04968	33.8
95.06069	3.0
95.08604	28.2
96.08103	4.5
97.06521	12.8
97.07678	2.2
103.05488	2.1
105.07027	48.8
106.06561	1.9
106.07288	1.7
107.04923	1.8
107.06131	2.7
107.08589	35.6
108.02116	8.4
108.05679	2.2
109.02872	2.1
109.06516	40.7
109.07629	6.0
109.10153	40.8
110.06046	3.6
110.07226	8.7
111.04427	2.5
111.07958	16.8
119.04917	6.4
121.06503	3.5
121.10147	2.9
123.04436	6.3
123.05602	1.9
123.08070	25.8
123.11678	24.8
124.07571	4.3
124.08630	2.4
131.08545	1.6
133.06459	4.0
133.10100	21.4
134.07091	3.5
136.08806	4.3
139.25803	1.7
141.05441	4.7
151.02802	4.5
151.03889	24.2
151.05045	6.0
151.07552	17.5
151.08687	3.0
151.09805	7.0
151.11169	50.8
152.01517	2.5
152.07042	5.5
152.08173	3.2
152.11722	6.1
160.84407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03947	4.9
54.99434	0.5
55.01877	2.1
55.05508	100.0
56.05848	2.6
57.03436	1.3
57.07084	2.9
59.04995	3.1
65.03936	2.9
67.05502	23.3
68.05019	0.8
68.05843	0.6
69.03423	3.7
69.07057	4.5
70.06561	0.5
71.05003	1.1
71.16344	1.1
77.03902	0.5
78.58540	0.4
79.05486	11.9
80.05810	0.6
81.03431	1.4
81.07051	41.1
82.06593	0.7
82.07391	1.3
83.04990	1.1
83.06110	0.9
83.08610	0.7
85.06551	0.6
91.05472	11.8
93.07034	10.2
95.04967	13.7
95.08601	14.8
96.05271	0.6
96.08134	0.6
97.06524	14.8
97.07557	0.6
103.05440	1.2
105.04542	0.4
105.07025	15.4
106.06583	0.7
106.07359	0.9
107.04952	2.1
107.06045	0.6
107.08583	12.7
108.02066	0.9
108.05737	1.0
108.09414	0.8
109.06515	16.8
109.07652	0.8
109.10149	23.1
110.06136	0.6
110.07247	3.4
110.10550	0.5
111.04393	0.6
111.07964	3.2
119.04957	0.7
119.06051	0.8
121.06517	0.9
121.10126	2.3
122.07242	0.8
123.04427	1.2
123.08073	6.3
123.11685	11.0
124.07585	1.0
124.08598	0.7
125.09631	0.7
131.08569	1.2
133.06500	1.1
133.10133	6.0
134.05971	0.7
134.07022	0.5
136.08856	1.6
151.02876	0.8
151.03908	3.7
151.05032	1.3
151.07559	6.0
151.09940	1.6
151.11176	21.8
151.14844	0.8
152.01688	0.5
152.07047	0.9
152.11613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03952	3.7
55.01867	3.7
55.05511	12.9
57.03421	2.5
57.07055	2.0
59.04999	5.7
65.03938	7.3
67.05501	23.5
68.05009	1.8
68.95139	0.5
68.99791	0.9
69.03425	9.8
69.07061	4.9
69.38906	1.5
69.39307	5.2
70.06586	0.6
71.04978	2.2
79.05486	15.8
80.04997	0.8
81.03404	2.7
81.07052	42.3
82.06565	0.7
82.07385	1.1
83.04976	1.1
83.06086	1.4
83.08617	0.8
86.69496	0.6
89.98643	0.6
91.05478	17.8
92.05822	0.7
93.07040	16.7
94.07358	0.7
95.01294	1.0
95.04970	17.2
95.08600	15.1
96.05775	0.8
96.08118	1.7
96.08947	0.7
97.06514	4.1
97.07606	0.7
97.23031	0.6
98.20733	0.7
103.05446	1.2
105.04517	0.7
105.07024	27.6
106.07346	0.9
107.04924	1.9
107.08588	17.9
108.02121	3.3
108.05717	1.6
109.02879	1.4
109.06512	26.6
109.07623	1.2
109.10149	23.5
110.06072	0.8
110.07208	3.2
110.10505	0.9
111.04414	1.7
111.07963	7.6
119.04929	1.1
119.06069	1.1
121.03908	0.6
121.06486	1.7
121.10160	3.3
122.07282	0.7
123.04421	3.3
123.08064	15.3
123.11690	9.4
124.07579	2.0
131.08557	1.7
133.06461	2.0
133.10123	13.0
134.06026	1.2
134.10442	0.8
135.08110	0.8
136.05182	0.8
136.08829	3.5
141.05457	3.6
146.99657	0.7
151.02849	2.0
151.03897	15.2
151.05042	4.4
151.07565	7.9
151.11169	100.0
152.01640	1.0
152.07065	2.0
152.08167	0.6
152.11543	5.1
153.39766	0.7
161.21422	0.6
161.52405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03930	2.2
55.01858	2.6
55.05508	4.3
57.03435	1.2
57.07060	1.9
59.04986	0.7
64.82569	0.6
65.03925	3.3
67.05500	16.6
68.05016	1.8
69.03436	4.5
69.07048	3.6
69.46833	5.9
71.04979	0.6
79.05070	0.8
79.05493	9.6
80.06274	0.7
81.03406	2.1
81.07053	29.0
82.06525	0.6
82.07352	1.1
83.04984	1.1
83.06094	0.9
91.05466	11.2
93.07043	9.3
95.04964	10.2
95.08605	10.6
96.05577	0.6
96.08137	1.1
97.06530	2.5
103.05464	1.6
105.07021	20.7
106.07338	1.1
107.04954	1.6
107.08596	10.6
108.05698	1.2
109.05797	1.3
109.06512	22.8
109.10149	13.0
110.07159	2.1
111.04488	0.7
111.07966	5.1
112.77663	0.7
118.26344	0.7
119.04910	0.8
121.06461	1.2
121.10133	2.1
123.04448	1.6
123.08076	8.8
123.11689	5.1
124.07610	3.5
124.08548	0.7
131.08586	1.5
133.06512	0.9
133.10139	7.8
136.08824	3.3
141.05438	0.9
149.82326	0.7
151.02905	1.2
151.03900	5.3
151.05011	1.8
151.07657	5.2
151.11171	100.0
152.01660	0.9
152.07048	2.3
152.11536	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.02376	0.5
53.03945	1.4
53.91137	0.3
55.01874	1.7
55.05505	4.3
56.96560	0.4
57.03427	0.8
57.07073	1.3
59.04996	1.2
65.03942	3.6
66.04716	2.0
67.05125	0.5
67.05500	9.6
68.02633	0.4
68.05019	0.9
68.99803	0.4
69.03432	3.0
69.07067	1.0
69.86498	0.6
69.86916	1.4
70.06626	0.3
71.04994	0.9
74.42575	0.4
77.03945	1.1
77.84173	0.3
78.04713	1.7
79.05487	9.3
80.05027	0.4
80.05843	0.6
80.06274	5.9
80.06715	0.6
81.03404	1.7
81.07053	14.9
81.07528	0.7
82.06561	0.4
83.04990	0.6
83.06093	0.7
83.08630	0.3
89.03908	0.4
90.04702	3.1
91.05476	19.9
92.06280	0.4
93.03406	1.8
93.07044	6.2
94.04199	0.6
95.01311	0.5
95.04964	7.7
95.08603	8.2
96.08112	0.4
97.07684	0.5
100.05335	0.3
103.05451	0.4
105.03379	3.7
105.04501	0.8
105.07030	9.2
106.04173	2.7
107.04951	44.3
107.08585	5.0
108.02103	1.0
108.05753	16.2
109.06533	7.7
109.07671	0.9
109.10157	6.0
110.06052	0.4
110.07179	2.0
111.04412	0.4
111.07947	4.8
118.04146	2.0
119.04974	1.8
119.06013	0.3
121.06519	0.8
121.10161	0.9
123.04429	1.2
123.08064	4.7
123.11689	3.2
124.07591	0.6
124.08691	0.7
127.07536	0.3
131.08551	0.3
133.02946	0.3
133.06461	0.9
133.10139	3.8
135.04419	10.8
136.05196	7.5
136.08856	1.2
141.05498	0.9
150.82080	0.3
151.03906	4.8
151.07535	100.0
151.11137	12.8
152.06847	0.6
152.07983	3.3
152.11578	0.5
167.03265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03933	3.1
55.01864	3.2
55.05514	5.8
57.86551	0.8
65.03938	79.5
66.04259	2.3
67.05502	14.9
68.40897	0.8
69.07059	8.8
69.36406	8.2
79.05488	31.3
80.05798	1.0
81.03417	1.7
81.07056	39.9
83.08604	2.6
88.30288	0.9
91.05479	18.5
93.03400	17.0
93.07038	40.5
94.07361	1.7
95.04406	0.9
95.04965	5.2
95.08604	8.8
98.03669	3.0
103.05459	1.3
105.04517	1.9
105.07001	5.4
107.04955	19.2
107.08591	32.6
108.08916	1.7
109.06510	2.7
111.04437	17.2
119.04895	1.0
119.08574	1.4
120.05721	3.2
121.02859	65.9
121.03965	17.0
121.06485	2.1
121.10139	9.3
122.03197	4.3
131.04985	0.8
131.08536	1.0
147.11510	0.8
149.02338	100.0
149.05937	2.0
149.09613	10.7
149.13237	13.4
150.02663	7.6
150.03717	1.1
167.03363	2.7
169.03465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.46934	1.4
53.03950	11.1
55.01860	4.0
55.05506	13.2
65.03938	78.7
66.04258	3.1
67.05503	28.2
68.99779	3.9
69.07067	19.1
69.34531	14.6
78.44733	1.3
79.05486	72.8
80.05827	2.6
81.03408	5.0
81.07052	78.7
82.07397	2.8
83.08596	3.3
83.96258	1.3
88.64407	1.2
91.04904	2.5
91.05473	45.3
92.05751	1.5
92.06288	1.8
93.03403	16.5
93.07037	84.4
94.07358	2.6
95.04966	20.3
95.08604	17.6
98.03643	2.3
101.69418	1.3
103.05462	13.2
105.04492	2.9
105.07014	11.1
107.04950	51.0
107.08589	59.3
108.05264	2.9
109.06485	3.1
110.17081	1.3
111.04445	16.8
119.04932	3.5
119.05996	1.4
119.08630	2.5
120.05699	8.8
121.02856	64.4
121.03960	14.8
121.06506	12.9
121.10137	17.0
122.03202	3.8
127.93970	1.2
128.17422	1.5
131.04904	2.7
131.08601	1.6
149.02332	100.0
149.05966	24.7
149.09598	15.9
149.13260	26.6
150.02664	7.0
150.06433	1.8
150.10010	1.6
167.03400	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02360	0.8
53.03933	2.2
53.51783	0.7
55.01860	3.0
55.05492	3.2
65.03936	81.3
66.04261	2.8
66.14159	0.7
67.05505	5.7
69.07051	3.4
70.14345	2.8
71.99736	0.8
79.05486	21.0
80.05790	0.8
81.07053	14.6
91.05479	10.6
93.02815	1.2
93.03397	17.9
93.07039	26.0
94.07363	1.5
95.04968	2.5
95.08601	3.4
98.03671	4.2
103.05493	0.9
105.03397	0.8
105.07005	3.8
107.04902	1.1
107.08588	18.2
109.06483	1.1
111.04436	16.8
121.02856	73.2
121.03960	17.5
121.06453	1.3
121.10112	6.2
122.03188	3.2
129.90804	0.9
131.08542	0.8
138.74551	0.8
149.02332	100.0
149.09607	2.9
149.13260	9.0
150.02672	6.9
150.03751	1.1
150.05426	1.0
150.13742	0.9
167.03377	3.4
169.03574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01851	1.7
55.05520	5.8
55.18341	1.1
57.07074	3.6
65.01950	1.3
65.03937	64.7
66.04266	2.6
67.05509	2.7
68.99773	1.9
69.07069	6.7
72.66714	1.3
78.88692	1.2
79.05064	2.3
79.05489	26.8
79.32830	1.3
81.03416	1.5
81.07047	3.6
91.05475	37.7
91.06019	2.6
93.03419	12.8
93.07039	37.0
93.07629	2.1
95.04964	12.8
95.08608	2.0
98.03676	2.5
103.05483	14.3
105.04507	3.1
105.07027	54.8
106.07286	1.6
106.88660	1.2
107.08588	54.0
108.08889	1.4
109.06527	6.6
111.04427	13.1
116.06269	2.4
119.06072	1.4
119.08572	16.7
120.09318	4.1
121.02863	56.3
121.03970	15.1
121.06492	11.7
121.10137	100.0
122.03220	4.1
122.06940	1.6
122.10485	5.8
123.08070	9.7
131.04880	2.4
131.08636	1.6
133.07542	1.7
133.10150	4.0
134.10896	3.8
149.02341	80.8
149.05975	24.8
149.07120	2.1
149.09628	9.1
149.13261	11.9
150.02745	6.0
164.86201	1.2
167.03407	1.8
169.03549	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.02376	1.7
53.03949	12.7
55.01867	5.6
55.05510	7.3
55.68153	0.8
57.07061	3.6
65.03939	74.3
66.04261	1.7
67.05494	4.0
68.99781	2.3
69.03425	3.1
69.07068	8.3
69.37527	8.0
77.03926	2.7
79.05492	29.9
81.03419	2.6
81.07053	5.8
87.53866	0.9
91.05479	56.9
92.05804	2.4
93.03397	14.2
93.07040	54.1
94.07362	1.3
95.04970	28.7
95.08611	2.2
96.05327	1.0
98.03669	2.9
98.21509	0.9
102.04647	1.2
103.05463	33.6
104.05791	1.1
105.04502	6.6
105.07028	60.6
106.07864	1.6
107.04945	2.3
107.08588	53.2
108.08881	2.2
109.06527	6.1
111.04443	17.8
115.05454	1.4
116.06260	1.5
119.06060	2.2
119.08582	20.5
119.09442	1.2
120.09375	2.6
121.02862	63.0
121.03969	15.3
121.06500	25.2
121.10139	100.0
122.03189	3.4
122.06874	1.5
122.10443	5.6
123.08078	10.2
131.04927	7.7
131.08549	2.3
133.07614	3.5
133.10132	7.4
134.10921	6.3
149.02341	86.4
149.05975	68.9
149.09619	12.8
149.13245	16.0
150.02689	5.8
150.06319	2.7
150.10207	1.1
150.13683	1.0
167.03421	2.3
169.03465	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.77190	1.0
51.99400	1.1
53.03942	5.7
54.81467	1.2
55.01862	1.3
55.05499	3.8
58.94652	1.1
65.03934	13.6
67.05510	2.6
67.14542	1.1
69.03414	3.2
70.89259	3.5
79.05488	32.9
81.07027	3.6
91.05474	51.7
92.05779	1.4
93.03367	2.3
93.07038	49.1
94.07365	2.1
95.04973	10.4
103.05459	11.6
103.13247	1.2
105.04517	1.7
105.07023	49.1
106.07850	7.1
107.04917	2.2
107.08602	8.0
109.06458	3.6
111.04456	1.9
111.12952	1.3
115.05452	5.8
116.06239	13.1
119.08574	8.8
121.02857	11.5
121.03939	2.6
121.06500	7.5
121.10128	36.4
122.10425	1.5
123.08054	7.9
128.06166	1.3
129.07004	5.3
131.08556	10.1
133.06432	1.2
133.07558	1.5
134.07248	3.4
149.02335	14.8
149.09608	100.0
150.09982	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03944	6.3
55.01868	2.4
55.05511	6.6
57.07060	3.5
57.37210	0.9
65.03939	71.4
66.04274	1.6
67.05493	2.8
68.99768	2.9
69.03416	1.7
69.07059	7.1
70.51270	2.8
70.51630	1.2
77.03910	1.3
79.05489	25.4
79.20203	0.8
81.03362	1.0
81.07054	7.4
91.05478	37.4
92.05775	1.6
93.03403	17.1
93.07040	37.0
95.04951	15.3
95.08620	1.5
98.03650	3.5
103.05463	14.2
105.03328	1.1
105.04507	3.1
105.07024	54.9
106.04155	0.9
106.07864	2.1
107.04944	2.6
107.08588	42.4
108.08883	0.9
109.06519	5.9
111.03708	1.2
111.04439	17.4
115.05479	0.9
116.06223	1.0
119.06090	1.6
119.08576	15.2
120.09344	3.2
121.02860	68.0
121.03963	14.8
121.06489	12.3
121.10136	100.0
122.03172	3.4
122.06998	1.3
122.10455	5.0
123.08072	11.1
131.04947	1.6
131.08519	2.2
133.07607	4.2
133.10114	2.4
134.03619	0.9
134.10963	4.8
140.47038	0.8
149.02335	96.8
149.05969	18.0
149.09605	17.5
149.13246	10.3
149.61206	1.0
150.02690	5.2
150.10098	1.3
167.03398	3.4
169.03513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03947	5.8
55.01856	3.7
55.05511	6.0
57.03422	1.3
57.07055	1.0
65.03938	63.1
66.04266	1.6
67.05482	4.5
67.38332	1.0
68.99780	1.2
69.03431	1.5
69.07069	4.6
70.49759	0.8
71.45297	1.0
71.45657	1.6
77.03912	1.3
79.05489	37.9
81.03419	1.8
81.07048	10.1
85.02803	0.9
89.44540	1.0
91.05478	49.1
92.05811	1.9
93.03396	15.2
93.07038	74.8
94.07332	2.4
95.04971	14.8
95.08582	1.6
98.03654	2.7
103.05476	11.2
105.04482	3.1
105.07025	48.2
106.07848	6.2
107.04951	28.0
107.08591	24.1
109.06495	3.0
111.04427	13.9
115.05473	1.5
116.06230	6.1
119.08587	7.5
121.02856	54.3
121.03966	12.8
121.06496	12.8
121.10140	41.9
122.03246	2.6
122.04357	1.0
122.07134	1.6
123.08040	6.6
129.07001	2.3
131.04947	1.8
131.08572	9.4
133.07591	1.7
134.07278	2.3
135.72656	1.0
149.02339	80.0
149.05984	4.3
149.09612	100.0
149.13287	4.2
150.02670	4.2
150.10051	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02391	1.3
51.05080	0.8
53.03941	6.2
55.01860	4.2
55.05529	0.9
65.03938	76.5
66.04263	2.5
67.05492	2.9
68.99790	71.9
69.07037	1.7
69.68171	3.2
69.68604	3.0
70.00147	1.0
79.05486	10.0
81.03400	1.5
81.07052	25.2
85.02177	0.9
91.05481	26.5
93.03406	17.4
93.07043	25.4
94.03738	0.9
95.04962	15.0
98.03650	2.8
103.05458	18.5
105.04504	2.5
105.07015	1.6
107.04943	4.8
107.08604	6.0
109.06519	1.2
111.04443	17.0
112.04855	1.0
119.04926	1.2
121.02865	64.7
121.03964	16.5
121.06490	24.9
121.10132	3.6
121.10932	0.9
122.03207	3.2
122.06924	2.0
131.04932	3.2
131.08617	1.1
149.02341	100.0
149.05978	49.2
149.09630	3.0
149.13246	2.1
150.02666	5.1
150.06325	2.3
167.03355	1.4
169.03439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02375	1.5
53.03953	7.5
55.01873	4.8
55.05495	3.7
57.07056	1.2
59.00226	0.9
65.03938	80.2
66.04263	1.5
67.05492	3.1
68.99777	4.1
69.03417	2.7
69.07053	2.2
69.53869	3.4
69.54295	3.0
77.03931	1.4
78.04723	1.4
79.05491	16.5
81.03411	1.1
81.07058	7.4
83.54791	0.8
91.05476	38.1
93.03403	17.5
93.07040	34.8
93.07633	1.5
95.04967	21.1
95.08601	1.2
98.03664	3.1
103.04793	1.5
103.05463	21.5
104.05811	0.8
105.04512	3.3
105.07023	23.3
106.04176	1.0
107.04964	2.1
107.08585	22.3
108.08885	1.0
109.06501	1.8
111.04443	16.5
116.06222	2.5
119.08585	7.3
121.02863	72.7
121.03959	14.1
121.06495	19.8
121.10137	37.6
122.03168	2.7
122.07080	1.0
122.10442	1.2
123.08075	4.5
124.05788	0.8
131.04907	5.7
131.08578	3.3
133.07527	1.6
133.10120	2.7
134.03665	0.8
134.10912	2.5
149.02341	100.0
149.05975	48.5
149.09602	10.0
149.13269	6.3
150.02641	4.7
150.06311	2.0
150.10124	1.0
166.03723	0.8
167.03418	1.8
168.67088	0.7
169.03485	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02391	0.7
53.00310	0.7
53.03944	3.9
54.37177	0.5
55.01877	3.8
55.05510	1.1
56.96563	0.6
63.20077	0.4
65.03941	88.3
66.04288	2.9
66.04572	0.4
67.05503	2.2
68.99791	39.8
69.03425	0.7
69.07056	1.1
70.00154	0.6
71.01347	0.5
77.03929	0.7
78.04701	1.5
78.07667	0.4
79.05491	7.2
81.03430	0.5
81.06583	1.0
81.07056	14.4
83.01315	0.5
89.03919	0.7
91.05479	47.0
92.05812	1.8
93.03406	17.9
93.07038	16.6
94.03740	0.7
94.07409	0.5
95.04971	11.7
95.08614	0.7
95.26240	0.4
98.03673	4.0
98.21494	1.1
103.05466	12.6
105.03432	2.5
105.04511	1.8
105.07018	2.9
106.04192	0.9
107.04954	3.9
107.08600	4.2
108.58178	0.4
109.06515	0.7
111.03706	1.0
111.04443	17.0
112.04755	0.5
113.92006	0.4
116.06158	0.5
119.04937	7.4
121.02866	69.3
121.03966	17.6
121.06497	16.1
121.10128	2.8
122.03164	2.8
122.06979	0.7
131.04915	2.2
131.08519	1.0
134.03603	1.1
149.02341	100.0
149.05975	31.2
149.09618	3.8
149.13203	1.0
150.02666	4.1
150.06357	1.8
166.00310	0.5
167.03380	2.6
169.03528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02366	1.0
53.03938	3.9
55.01862	3.2
55.05495	0.8
65.03937	82.4
66.04256	2.1
68.99786	20.4
71.01363	1.0
71.46410	1.0
77.03926	1.0
78.04692	3.7
79.05484	5.5
81.07050	5.3
91.05476	100.0
92.05801	3.5
93.03393	13.0
93.07039	7.7
95.04943	7.9
98.03658	3.0
103.05447	4.2
105.03390	5.4
105.04482	1.9
105.07018	2.5
106.04177	3.1
107.04950	7.0
107.08578	3.4
111.04429	14.4
119.04929	14.3
121.02855	57.8
121.03965	14.3
121.06490	6.8
121.10113	1.2
122.03162	2.7
131.04932	1.3
131.08517	1.6
141.20551	0.9
149.02332	82.3
149.05972	15.3
149.07114	1.7
149.09610	5.7
150.02655	4.7
167.03352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.04248	0.7
53.03937	2.4
55.01851	1.9
55.05509	0.9
61.75718	0.7
65.03938	69.4
66.04278	2.0
68.99770	2.2
70.14790	2.2
70.15199	1.8
72.61297	0.8
78.04704	3.7
79.05488	4.3
81.03416	1.2
81.07042	2.9
85.14579	0.8
89.03919	1.6
91.05479	100.0
92.05818	2.1
93.03399	10.7
93.07037	4.8
95.04977	4.7
98.03673	2.7
101.28139	0.7
103.05457	2.4
105.03391	5.8
105.07051	1.0
106.04163	4.0
107.04942	2.8
107.08597	2.1
111.04443	14.3
119.04935	15.9
121.02863	45.7
121.03974	12.0
121.06487	2.6
121.10097	1.0
122.03194	1.9
128.82776	0.8
139.97575	0.7
148.30479	0.7
149.02341	68.4
149.05959	7.7
149.09593	4.8
150.02689	3.6
164.19748	0.8
167.03456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.93342	1.0
51.02378	1.1
53.03940	7.9
55.01871	7.9
55.05502	2.8
59.40903	1.1
65.03938	67.1
66.04247	2.2
67.57703	1.1
68.99788	72.4
69.07061	1.8
69.49197	2.4
69.49599	7.1
70.00139	1.3
73.20399	1.0
77.03928	1.3
78.04675	1.6
79.05490	13.6
81.03413	1.9
81.07053	45.2
82.07367	2.2
82.66435	1.1
89.48902	1.0
91.05473	33.4
92.05796	1.8
93.03406	16.9
93.07037	33.7
94.07374	1.6
95.04966	20.8
95.08604	1.2
98.03670	2.4
103.04791	2.6
103.05460	39.4
104.05772	1.6
105.04518	3.4
105.07030	3.3
107.04949	4.3
107.08569	6.8
111.04452	16.4
121.02854	56.2
121.03960	14.1
121.06497	59.2
121.10129	3.5
121.84941	1.0
122.03209	2.5
122.06860	2.6
131.04900	7.1
134.03622	1.7
149.02336	92.0
149.05971	100.0
149.09583	2.4
149.13260	1.4
150.02644	6.3
150.06337	3.9
167.03378	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02375	1.6
51.57600	0.8
53.03946	9.6
55.01872	6.5
55.05510	1.2
56.96555	1.0
65.03939	47.6
66.04249	1.6
67.05510	1.6
68.01409	0.7
68.99790	77.4
69.07058	2.2
69.31532	5.9
69.31960	3.2
70.00121	1.8
71.01356	0.7
72.87780	0.7
77.03932	1.8
78.04716	0.8
79.05490	13.2
81.03408	1.0
81.07057	46.5
82.07383	2.0
91.05479	32.6
92.05791	1.5
93.03407	10.6
93.07043	34.1
94.07384	1.0
95.04970	19.8
98.03652	2.3
102.04673	1.1
103.05466	40.6
104.05801	1.5
105.04510	2.7
105.07021	3.5
107.04957	7.1
107.08595	5.1
111.04422	10.0
121.02866	43.0
121.03973	10.2
121.06503	57.3
121.10145	2.8
122.03186	2.2
122.06851	1.9
131.04938	5.8
134.03645	1.5
141.42709	0.7
149.02347	60.4
149.05978	100.0
149.09651	2.7
149.13297	2.0
150.02675	2.9
150.06352	4.2
167.03307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02380	1.3
53.03944	10.0
55.01857	3.8
55.05515	1.2
60.60691	0.9
60.69293	0.9
65.03937	73.8
66.04278	2.5
67.05494	1.9
68.99779	2.3
69.03422	2.7
69.07059	2.4
69.46943	7.7
70.27482	0.8
76.18765	0.9
76.99795	0.8
77.03926	1.6
78.04707	2.9
79.05478	9.4
81.03403	2.8
81.05594	0.9
81.07042	3.8
91.05477	30.0
92.05798	1.0
93.03383	14.4
93.06474	2.0
93.07037	29.6
94.07355	1.3
95.04965	21.4
98.03667	3.0
103.05458	24.0
105.03427	1.0
105.04510	4.9
105.07025	5.6
106.04086	1.6
107.08583	9.2
111.04436	15.8
112.04762	1.2
121.02859	63.8
121.03968	16.4
121.06489	22.2
121.10122	10.0
122.03202	3.1
123.08043	2.0
131.04916	7.4
134.03610	1.7
149.02338	100.0
149.05968	60.9
149.09605	3.8
149.13255	2.3
150.02681	4.2
150.06328	2.6
167.03404	2.4
169.03534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.02393	0.8
53.03936	2.7
53.67942	0.8
55.05273	0.8
55.05515	12.0
61.16677	0.8
65.03941	7.8
67.05499	1.3
69.07051	3.9
69.62281	5.7
71.74422	0.8
79.05498	9.2
80.60116	0.9
81.07058	1.8
84.04510	1.1
91.05477	92.6
92.05830	6.0
93.07040	4.3
95.04964	3.3
98.20776	0.9
102.31178	0.8
103.05482	5.3
104.06253	2.0
105.07026	77.5
106.07325	5.0
107.04987	1.1
107.08589	7.3
109.06495	1.3
115.05464	3.1
116.06235	3.9
117.07018	19.1
119.04943	27.1
119.08576	100.0
120.05277	2.1
120.08892	5.5
121.07587	1.1
129.06992	2.6
130.07765	1.9
131.08536	2.8
132.09369	5.9
145.10110	9.8
147.04404	9.0
147.08022	3.1
147.11682	38.7
148.12025	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03941	2.9
55.05501	14.8
57.21284	1.2
61.27985	1.1
65.03931	6.3
67.05491	3.4
69.07055	3.3
71.25167	2.0
79.05492	8.9
81.07050	2.3
84.04474	1.2
91.05473	79.2
92.05805	3.7
93.07024	3.8
95.04944	3.3
96.09415	1.1
96.97952	1.3
102.04670	1.7
103.05455	4.5
104.06236	3.2
105.07021	93.4
106.07329	3.8
107.04922	1.4
107.08582	4.1
116.06300	2.0
117.07011	14.4
119.04935	22.6
119.08570	100.0
120.04472	1.4
120.08905	4.5
120.92167	1.2
129.06990	1.4
130.04131	1.5
131.08643	1.3
132.09308	4.5
145.10078	8.9
147.04431	10.6
147.08028	6.2
147.11671	38.4
148.03935	2.1
148.12016	1.9
164.94289	1.2
169.39772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03935	2.8
55.05512	5.4
56.96557	1.3
64.92793	1.9
65.03915	4.5
67.05173	1.5
67.05503	19.6
68.70328	1.0
69.07063	5.5
71.31512	1.4
79.05065	1.6
79.05491	22.7
81.07053	19.4
88.32853	1.1
91.05476	100.0
92.05001	1.1
92.05798	3.9
93.07041	12.1
95.04959	3.9
101.07967	1.0
101.53053	1.0
103.05459	5.7
105.07026	87.3
106.07336	3.4
107.04926	1.8
117.07016	8.7
119.04918	5.8
119.08572	60.3
120.08908	2.4
123.96421	1.9
128.06207	1.5
129.07007	6.3
132.05658	1.4
132.09320	1.2
145.10106	2.6
147.04436	7.9
147.05470	1.4
147.08018	8.7
147.09067	1.5
147.10506	1.4
147.11676	25.9
148.03894	2.5
148.12015	1.5
157.37140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.53720	0.7
53.03936	2.5
55.05508	9.6
64.92824	0.9
65.03941	5.1
67.05489	3.1
69.07056	3.2
69.24242	9.6
79.05497	7.5
81.07049	1.8
84.04501	1.7
90.23785	0.7
91.05476	66.8
92.05811	3.3
93.07031	3.1
95.04951	3.4
103.05462	6.0
104.06273	1.5
105.07025	74.3
106.07345	2.5
106.42421	0.9
107.04945	1.9
107.08581	7.6
115.05460	3.6
116.06235	2.0
117.07025	17.7
119.04948	14.4
119.08572	100.0
120.04494	1.0
120.05280	1.5
120.08891	5.3
121.10133	1.0
128.06178	0.9
129.07007	3.4
130.07755	1.4
131.08543	3.5
132.05701	1.7
132.09358	6.9
145.10130	11.3
147.04425	9.6
147.08044	6.8
147.11681	41.9
148.08701	0.9
148.12042	2.7
149.51259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94521	0.5
55.01861	0.6
55.05513	2.9
56.05860	0.5
64.92815	0.6
65.03938	11.2
67.05515	0.5
69.07065	0.6
71.31556	1.0
79.05499	2.8
81.07041	0.5
82.67354	0.5
84.04496	1.4
91.05477	100.0
92.05795	3.0
93.07033	0.8
95.04985	1.8
102.04686	0.9
103.05478	1.1
104.06264	0.6
105.07027	17.7
106.06534	0.5
107.08605	1.4
108.41257	0.5
115.05448	0.6
116.06230	0.5
117.07023	4.8
119.04939	70.7
119.08577	22.5
119.09457	0.9
120.04518	1.2
120.05283	3.6
120.08889	0.7
129.07022	0.9
130.06548	1.1
130.07652	0.5
131.08575	0.5
132.09325	2.0
145.10077	1.6
147.04405	25.6
147.08052	1.9
147.09137	0.8
147.11693	7.2
148.04808	1.2
148.07581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.67030	0.5
52.36322	0.5
53.03935	1.4
55.05514	2.6
59.21687	0.5
65.03938	10.1
67.05499	1.0
69.07032	0.6
69.47227	0.6
70.55008	1.6
76.17467	0.6
79.02995	0.5
79.05477	2.7
83.06916	0.5
84.04525	1.0
86.06050	0.6
91.05477	100.0
92.05819	2.8
93.07027	1.0
95.04956	1.5
102.04668	1.1
103.02802	0.5
103.05474	3.0
104.06246	0.9
105.07029	18.9
106.06573	1.3
107.04964	1.1
107.08602	1.5
117.07023	5.8
119.04939	65.2
119.08577	27.2
120.04502	0.6
120.05288	2.2
120.08121	0.9
120.08895	0.8
123.96499	0.6
129.06992	1.0
130.06508	1.1
131.08530	0.6
132.09331	1.3
145.10127	1.8
147.04411	20.9
147.08055	4.0
147.09149	1.0
147.11687	8.3
148.04918	0.7
148.07567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.14174	0.4
53.03946	0.5
55.05511	2.2
55.88769	0.4
56.05832	0.5
65.03938	10.7
65.16899	0.4
67.05505	0.9
69.07069	1.0
69.73668	1.3
69.74080	1.2
79.05495	1.8
81.07053	0.5
83.06901	0.9
84.04487	0.4
91.05480	100.0
92.05816	3.8
93.07040	1.2
95.04968	1.3
103.05463	1.8
104.02785	0.4
105.07034	18.4
107.04962	0.6
107.08605	1.4
115.05470	0.8
117.07032	3.4
119.04942	64.6
119.08578	20.1
119.09462	0.6
120.04529	0.6
120.05275	2.8
120.08900	1.0
128.06161	0.4
129.06973	0.8
129.90118	0.4
130.06529	0.6
131.08585	0.5
132.09343	1.2
138.73608	0.4
145.10130	1.9
147.04410	23.1
147.07991	2.1
147.11693	6.9
148.04845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.03953	0.9
55.05503	4.2
55.16008	0.7
65.03931	1.7
70.04906	3.9
70.05267	1.4
72.08118	1.1
82.06571	10.3
84.04497	1.1
86.06094	0.8
87.04472	2.0
91.05479	44.7
92.05808	0.9
95.04955	1.2
98.21515	0.8
100.07619	8.6
103.05462	1.4
105.06999	1.9
117.05761	8.1
118.06539	100.0
119.04958	9.2
119.06852	4.4
119.08582	2.7
128.04959	25.0
128.05904	1.7
128.07011	1.8
129.04446	1.0
135.72696	0.8
146.06007	64.8
146.07959	2.1
147.04408	3.8
147.06363	3.0
147.11662	1.1
159.15643	0.9
164.03218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0811
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
53.03941	0.6
53.86324	0.4
55.05510	38.8
56.05025	0.9
56.05843	0.8
57.03433	0.5
60.05654	0.9
60.08160	4.4
67.04230	0.7
69.03414	0.5
69.48592	0.4
70.70111	1.5
74.02449	1.0
75.50652	0.5
80.05025	0.9
82.06578	100.0
82.33675	0.4
83.06889	2.6
84.04510	1.2
84.08130	0.5
85.11886	0.4
86.06065	5.3
87.04467	15.3
91.05478	0.8
100.04751	0.6
100.07616	36.2
101.07941	0.9
113.10764	0.4
124.24641	0.5
128.07082	12.1
128.08054	0.6
129.07431	0.5
146.08125	13.0
146.09209	1.0
146.11789	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0811
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
55.05510	29.6
56.05041	0.7
56.05834	0.8
60.05654	1.3
60.08158	1.7
69.03360	0.6
69.62969	1.4
69.63383	2.9
74.02441	1.5
80.05010	1.2
82.06576	100.0
83.06915	2.5
84.83430	0.6
86.06065	3.6
87.04458	8.3
100.07613	34.2
125.83497	0.6
128.07074	13.3
146.08142	12.1
146.09262	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.05507	37.5
56.05026	1.4
56.05844	1.2
56.96558	0.6
58.06580	0.4
60.05645	4.8
60.08159	26.9
62.52308	0.4
64.37527	0.4
67.04259	0.5
68.05031	0.4
69.03420	3.4
69.60068	3.2
74.02443	0.8
80.04987	1.4
82.06573	100.0
83.06123	1.0
83.06902	3.2
84.01543	0.4
84.04500	0.7
84.08167	0.5
86.06061	21.4
86.09702	1.4
87.04461	88.5
88.04790	2.3
88.57850	0.4
97.58514	0.4
100.07608	35.2
100.31113	0.4
101.07953	1.1
104.07090	2.8
111.05592	2.4
128.07077	14.5
128.08139	1.5
129.06618	0.6
146.08099	14.1
146.09241	6.3
146.11748	13.7
147.05002	0.5
147.08450	0.6
148.96472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43324	1.2
53.03937	5.0
55.05496	3.9
62.92974	5.2
65.17543	1.3
67.05500	9.5
69.03412	3.0
71.04981	4.5
71.58012	2.7
73.33524	1.5
73.43297	1.3
79.05494	6.4
79.50856	1.6
81.03415	2.2
82.06584	16.3
85.02904	4.0
91.05479	37.1
97.02881	2.3
99.04456	12.9
100.07621	10.6
103.05459	6.3
105.07028	80.3
106.07345	4.1
115.05448	26.1
116.06260	6.9
117.07014	73.6
118.06565	2.7
118.07388	3.5
121.96619	8.9
127.03915	1.9
128.06203	7.9
128.07063	3.3
129.07007	17.2
130.07793	52.9
131.08124	2.6
143.08569	10.5
144.98193	1.8
145.06493	4.6
145.10120	100.0
146.06029	3.0
146.08163	2.6
146.10458	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01873	1.9
55.05497	5.2
57.03432	1.8
62.92986	8.3
67.05492	5.6
69.03426	2.5
69.35078	13.5
71.04977	5.6
76.77287	1.3
79.05483	5.4
81.03403	2.7
82.06117	1.8
82.06578	25.4
85.02910	3.8
91.05473	31.1
91.63247	1.3
95.04961	1.8
97.02876	2.6
99.04456	13.2
100.07619	14.4
101.29487	1.2
103.05460	5.4
104.96178	1.2
105.07028	64.5
106.07336	2.0
115.05453	27.1
116.06254	8.9
117.07014	71.9
118.06522	2.1
118.07330	3.5
121.96645	12.7
127.03967	2.2
128.06212	12.0
128.07056	2.6
129.07018	20.4
130.07790	53.6
130.08768	2.6
131.08125	2.3
136.01849	1.4
143.08551	7.9
145.06494	5.1
145.10118	100.0
146.05988	4.3
146.08113	3.2
146.10469	3.6
164.62785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13250	1.4
53.03940	4.3
53.50531	1.2
55.01866	2.0
55.05504	8.7
56.05012	1.7
56.96555	5.0
57.03426	2.5
58.00843	1.2
62.92975	7.0
65.03927	1.5
67.05507	7.3
69.03421	2.2
71.04977	6.4
72.77576	1.2
79.05489	5.2
81.03389	2.7
82.06575	25.5
85.02884	5.3
86.08225	1.2
89.03905	2.2
91.05477	51.4
92.05822	1.3
95.04936	1.9
97.02897	2.0
98.20760	2.1
99.04444	14.3
99.92702	1.4
100.07604	15.1
103.05445	7.6
105.07024	72.8
106.07359	3.3
109.14749	1.1
112.52509	1.1
115.05450	23.9
116.06277	8.5
117.07008	82.1
118.06541	3.1
118.07294	2.7
121.96610	12.1
122.96806	1.5
126.14199	1.2
128.04900	1.3
128.06198	10.5
128.07072	2.7
129.07010	16.5
130.07779	54.6
131.08105	2.3
139.01830	2.3
143.08559	10.8
145.03850	1.4
145.04953	2.2
145.06488	5.2
145.10110	100.0
146.05997	4.7
146.08095	5.0
146.10446	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01884	4.1
55.05511	8.6
56.05024	1.7
56.96561	12.3
57.03439	4.5
62.92995	15.4
67.05508	5.2
69.03425	7.4
70.64506	4.8
71.04686	1.9
71.05002	17.1
79.05498	6.2
81.03406	5.7
82.06585	35.5
85.02909	9.2
86.06056	2.7
87.04483	2.1
89.03929	3.9
91.05484	38.1
95.04963	2.9
97.00771	2.8
97.02893	5.6
99.04454	40.1
100.07627	19.8
103.05474	5.2
105.07033	74.5
114.06451	1.9
115.05462	31.0
116.06269	10.6
117.07024	79.4
117.07863	3.8
118.06561	8.9
121.96629	15.7
127.03954	6.9
128.04936	3.9
128.06213	9.7
128.07101	5.5
129.07019	19.9
130.07787	62.9
131.08170	3.8
137.28001	1.8
137.98352	4.2
139.01881	3.2
143.08574	13.5
145.03865	2.9
145.05016	2.9
145.06511	7.6
145.10132	100.0
146.05978	9.5
146.08127	7.8
146.10445	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97548	1.3
52.09916	1.2
53.03932	3.9
55.01863	1.6
55.05516	8.8
56.96555	11.3
57.03429	3.8
59.58929	1.3
62.92983	7.1
65.03918	1.6
67.05515	7.7
69.03428	1.8
70.08971	3.5
70.09370	3.1
71.04975	5.6
73.14128	1.9
77.98708	1.3
79.05486	6.2
80.70419	1.2
81.03423	2.3
82.06577	19.6
85.02895	3.7
89.03892	2.8
89.11310	1.4
91.05476	46.3
95.04958	2.2
99.04453	11.2
100.07608	13.5
103.05444	7.0
105.07023	73.2
106.07354	3.2
115.05444	30.0
116.06263	10.4
117.07012	79.1
118.07343	2.0
121.96628	9.1
127.03909	4.1
128.06219	9.6
128.07092	3.4
129.06993	21.8
130.07787	53.0
131.08136	1.4
143.08551	9.0
145.03926	2.0
145.05042	1.3
145.06497	4.9
145.10112	100.0
146.06020	3.0
146.08160	3.0
146.10455	4.7
155.06064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01336	1.1
53.03928	3.4
55.05505	7.0
56.96548	1.6
61.30668	1.0
62.26165	1.1
62.92976	4.6
65.82406	1.1
67.05495	5.3
69.03421	2.4
70.78257	4.0
71.04984	4.9
79.05471	5.3
81.03413	2.9
82.06578	16.2
85.02914	3.5
85.63861	1.2
91.05476	38.5
95.04939	1.2
97.02886	2.0
99.04435	11.8
100.07618	9.8
103.05453	5.8
105.07026	66.3
106.07365	2.0
107.58166	1.2
115.05450	27.3
116.06232	11.0
117.07010	77.3
118.06561	1.5
118.07365	3.4
121.96619	5.2
127.03909	2.8
128.05313	1.4
128.06213	10.7
128.07056	2.0
129.07008	21.7
129.63049	1.4
130.07777	54.8
131.08069	2.0
137.21159	1.1
139.01883	1.5
143.08530	9.8
145.06468	3.9
145.10115	100.0
146.05956	2.9
146.08113	3.4
146.10431	5.2
148.07584	1.2
155.06078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.05518	5.8
56.15368	1.0
56.96554	4.4
57.03420	1.8
58.94940	1.0
59.49755	1.1
61.48897	1.3
62.92994	7.9
64.98094	1.2
67.05492	5.5
69.03420	2.3
69.98250	1.1
70.64878	1.0
70.83768	2.8
71.04996	6.5
79.05494	5.1
81.03420	2.2
82.06585	18.7
85.02889	4.1
89.03902	1.4
91.05488	29.4
95.05026	1.4
97.00801	1.2
97.02856	2.2
98.20862	1.7
99.04452	18.4
100.07627	9.6
103.05468	5.0
105.07040	60.8
106.07357	1.5
115.05463	20.0
116.06273	8.6
117.07027	58.9
118.06552	2.9
118.07323	2.9
121.96635	8.3
127.03925	2.7
128.06232	9.4
128.07088	1.8
129.07007	17.0
130.07800	58.2
131.08139	2.8
139.01831	2.5
143.08559	8.8
145.06506	3.7
145.10133	100.0
146.06006	4.1
146.08083	2.6
146.10493	4.6
155.06020	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03949	1.7
55.01866	1.3
55.05506	2.9
55.48814	0.2
56.05031	0.6
56.86267	0.2
57.03434	1.5
57.03666	0.2
58.06601	0.4
59.06123	1.3
60.04527	0.4
60.98696	0.2
61.02910	0.2
62.01604	0.3
62.92988	0.9
63.02064	0.4
63.02370	6.1
66.15676	0.2
67.05498	0.5
69.03430	3.3
70.06580	0.6
71.01366	0.3
71.04988	5.3
71.56914	0.4
72.05370	0.2
72.08160	0.5
74.04027	0.2
79.05496	1.6
81.03407	1.8
81.07034	0.4
82.06572	8.9
83.01350	0.4
84.04503	0.4
85.02900	3.8
85.04001	1.8
85.06533	0.4
85.07666	0.6
86.03197	0.3
86.06041	0.4
87.04453	0.6
89.03912	100.0
90.04245	2.7
91.05472	2.9
97.00793	0.6
97.02874	1.6
99.04448	8.4
100.04794	0.3
100.07615	3.4
100.38837	0.2
102.05550	0.3
103.05453	0.3
105.07023	4.3
107.04890	0.3
109.02884	0.3
110.06027	0.4
115.05458	2.1
117.03372	33.5
117.07005	3.4
118.03713	0.8
118.06544	2.3
119.04977	0.3
121.00786	0.3
121.96625	1.3
123.99127	0.2
127.03932	1.2
127.05489	0.2
127.08646	0.3
128.06221	0.5
128.07083	1.0
129.04456	0.3
129.06976	0.9
130.06590	0.4
130.06757	0.4
130.07774	3.3
135.04385	1.0
135.05374	0.3
139.01794	1.4
143.08603	0.9
145.02811	0.8
145.03871	0.4
145.04991	0.8
145.06607	1.2
145.07626	0.7
145.10114	4.3
146.06015	1.2
146.08113	1.2
155.06027	0.3
158.05988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	2-Amino-3-cyclopropylbutanoic acid
Peak:m/z	Relative Intensity
53.03940	0.9
55.01870	2.0
55.05499	1.4
56.05026	1.1
56.96561	19.6
57.03431	3.5
57.07056	0.7
58.06593	0.6
58.28674	0.4
59.92036	0.5
60.08155	1.1
60.95842	1.0
60.98114	0.4
61.02906	1.0
67.05492	1.9
68.05011	0.5
68.99772	0.4
69.03424	3.1
70.06588	9.5
70.29095	0.8
70.29488	1.0
70.98123	1.6
71.01354	0.5
71.04980	1.2
71.95248	0.7
72.08162	0.7
73.02915	1.3
74.97598	0.6
75.01022	0.8
77.00819	0.6
79.05512	0.5
80.05005	0.6
81.03416	1.6
81.07040	3.0
82.06575	1.0
83.04977	0.6
83.08609	0.6
84.01552	1.6
84.04490	0.8
84.08134	8.1
84.96026	0.9
84.99284	0.6
85.02898	5.7
85.06533	3.2
86.09698	1.7
88.99157	1.1
89.00774	0.7
91.02345	0.6
92.01266	0.5
96.08148	0.7
97.02885	2.8
98.01278	2.0
98.06059	0.7
98.09686	100.0
98.21439	0.5
98.97584	4.3
99.04444	1.5
99.10021	3.0
102.00941	0.7
102.05501	0.4
102.96866	1.4
103.00642	1.2
104.01285	0.4
108.08099	0.7
109.02878	1.1
109.06522	1.7
115.00668	0.8
116.98614	3.4
117.01847	0.8
119.01939	1.9
120.02008	6.2
120.97916	1.1
121.01654	4.7
121.03474	0.5
126.09151	6.1
128.98528	1.3
131.01889	0.6
133.01764	0.7
134.99658	1.2
138.03073	2.4
138.98949	1.1
139.01811	0.4
139.02721	2.1
142.96498	0.6
144.06535	0.6
144.10185	16.4
144.13809	0.8
145.01665	0.8
146.99623	1.2
149.06633	1.0
160.97571	0.8
161.03033	0.6
161.06624	0.6
163.02699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	(E)-4-(Trimethylammonio)but-2-enoate
Peak:m/z	Relative Intensity
50.82127	0.7
52.76742	0.8
53.03942	2.5
55.01873	4.4
55.05501	4.0
56.05032	5.3
56.96563	86.6
57.03431	12.8
59.05000	2.0
59.06113	1.0
60.04521	1.3
60.08160	1.5
60.95852	6.5
61.02928	6.2
63.79122	0.7
65.86668	0.8
67.05494	3.1
68.00259	0.9
68.05016	1.1
69.03083	1.0
69.03427	12.8
70.06587	10.9
70.94241	1.9
70.98120	4.9
71.01354	1.6
71.04990	6.4
71.95258	2.8
72.08141	1.1
72.96044	1.1
73.02921	4.5
74.00216	0.7
74.97603	2.6
75.01039	3.4
77.00793	3.7
80.05006	1.5
81.03423	5.0
81.07045	5.1
82.06561	1.1
83.00774	4.1
83.01337	3.2
83.04983	1.3
84.01559	4.8
84.04490	1.3
84.08138	82.0
84.96037	5.1
84.99268	2.2
85.02900	18.7
85.06532	3.2
85.08424	1.1
86.01289	1.6
86.06061	1.5
86.09681	1.3
86.51840	1.1
88.07587	0.9
88.99158	5.4
89.00755	3.1
90.01568	1.9
91.00523	1.5
91.02323	2.0
92.01299	2.7
95.01328	2.5
97.00774	1.1
97.02893	9.8
97.99197	1.2
98.01292	7.1
98.06037	2.8
98.09687	100.0
98.97576	17.8
99.04446	8.1
99.10014	1.8
100.02870	0.9
101.00862	1.2
102.00961	2.5
102.09122	1.0
102.96870	5.2
103.00638	1.8
104.01287	2.5
106.01025	2.5
107.00194	2.8
107.01806	1.9
108.08099	1.6
109.02892	1.0
109.06507	2.2
109.52081	0.9
110.97553	2.0
111.00239	3.0
113.02321	1.9
113.05493	1.1
115.00677	4.0
116.00195	0.9
116.98611	14.6
117.01852	4.3
118.01023	1.4
119.01893	7.1
120.00730	1.0
120.02002	21.6
120.03223	1.3
120.97900	7.4
121.01661	18.6
121.02453	1.7
121.03506	0.9
121.96637	0.9
124.95466	1.0
126.05566	1.1
126.09144	7.2
127.03880	2.8
127.07512	1.0
128.02335	1.1
128.98602	5.4
131.00218	1.3
131.01944	1.7
131.05540	1.1
133.01735	6.6
134.99644	8.4
137.02945	3.5
138.03067	8.0
138.04172	1.4
138.98938	8.6
139.01811	1.7
139.02704	7.9
142.96523	2.4
143.00194	1.0
143.01936	0.9
144.03680	2.5
144.04733	1.0
144.06560	1.9
144.08095	1.7
144.10188	20.4
144.13858	0.9
144.98161	1.1
145.01729	2.2
146.99631	5.6
147.05045	1.4
149.06596	1.8
150.06108	1.0
151.02809	1.9
153.00760	1.0
157.00035	1.8
158.99646	0.9
160.97569	4.8
161.02983	1.2
161.06604	1.5
162.04329	1.1
163.02774	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82127	0.7
52.76742	0.8
53.03942	2.5
55.01873	4.4
55.05501	4.0
56.05032	5.3
56.96563	86.6
57.03431	12.8
59.05000	2.0
59.06113	1.0
60.04521	1.3
60.08160	1.5
60.95852	6.5
61.02928	6.2
63.79122	0.7
65.86668	0.8
67.05494	3.1
68.00259	0.9
68.05016	1.1
69.03083	1.0
69.03427	12.8
70.06587	10.9
70.94241	1.9
70.98120	4.9
71.01354	1.6
71.04990	6.4
71.95258	2.8
72.08141	1.1
72.96044	1.1
73.02921	4.5
74.00216	0.7
74.97603	2.6
75.01039	3.4
77.00793	3.7
80.05006	1.5
81.03423	5.0
81.07045	5.1
82.06561	1.1
83.00774	4.1
83.01337	3.2
83.04983	1.3
84.01559	4.8
84.04490	1.3
84.08138	82.0
84.96037	5.1
84.99268	2.2
85.02900	18.7
85.06532	3.2
85.08424	1.1
86.01289	1.6
86.06061	1.5
86.09681	1.3
86.51840	1.1
88.07587	0.9
88.99158	5.4
89.00755	3.1
90.01568	1.9
91.00523	1.5
91.02323	2.0
92.01299	2.7
95.01328	2.5
97.00774	1.1
97.02893	9.8
97.99197	1.2
98.01292	7.1
98.06037	2.8
98.09687	100.0
98.97576	17.8
99.04446	8.1
99.10014	1.8
100.02870	0.9
101.00862	1.2
102.00961	2.5
102.09122	1.0
102.96870	5.2
103.00638	1.8
104.01287	2.5
106.01025	2.5
107.00194	2.8
107.01806	1.9
108.08099	1.6
109.02892	1.0
109.06507	2.2
109.52081	0.9
110.97553	2.0
111.00239	3.0
113.02321	1.9
113.05493	1.1
115.00677	4.0
116.00195	0.9
116.98611	14.6
117.01852	4.3
118.01023	1.4
119.01893	7.1
120.00730	1.0
120.02002	21.6
120.03223	1.3
120.97900	7.4
121.01661	18.6
121.02453	1.7
121.03506	0.9
121.96637	0.9
124.95466	1.0
126.05566	1.1
126.09144	7.2
127.03880	2.8
127.07512	1.0
128.02335	1.1
128.98602	5.4
131.00218	1.3
131.01944	1.7
131.05540	1.1
133.01735	6.6
134.99644	8.4
137.02945	3.5
138.03067	8.0
138.04172	1.4
138.98938	8.6
139.01811	1.7
139.02704	7.9
142.96523	2.4
143.00194	1.0
143.01936	0.9
144.03680	2.5
144.04733	1.0
144.06560	1.9
144.08095	1.7
144.10188	20.4
144.13858	0.9
144.98161	1.1
145.01729	2.2
146.99631	5.6
147.05045	1.4
149.06596	1.8
150.06108	1.0
151.02809	1.9
153.00760	1.0
157.00035	1.8
158.99646	0.9
160.97569	4.8
161.02983	1.2
161.06604	1.5
162.04329	1.1
163.02774	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29732	0.6
53.03932	1.3
55.01874	4.3
55.05515	10.0
55.34253	0.8
56.05023	3.2
56.96555	1.9
57.03440	1.8
57.07078	6.6
57.07324	1.2
58.02949	1.2
58.06586	2.8
59.04996	2.3
59.06113	2.8
60.04511	2.7
60.95846	1.2
65.03919	1.0
67.05506	4.9
68.05027	1.0
69.03080	1.3
69.03431	18.3
69.07045	2.6
70.06585	3.0
71.04992	39.3
71.57224	0.8
71.57618	0.8
72.04491	0.7
72.08115	0.8
73.06566	3.5
74.06070	2.6
77.00890	1.2
79.05484	2.5
80.05016	1.5
81.07049	2.4
82.06551	0.8
83.01340	1.1
83.04984	5.0
83.06105	2.5
83.08617	4.4
84.04510	3.4
84.06451	0.9
84.08121	1.2
85.02921	5.0
85.06544	14.5
86.06076	3.8
87.06818	1.0
91.05454	1.3
95.08591	0.8
97.00816	1.9
97.02885	9.5
97.06517	2.0
97.07656	3.2
97.10190	3.3
98.06060	3.4
98.09683	2.0
101.00880	1.5
101.07128	2.9
102.05533	1.7
102.12825	0.9
105.06966	0.8
107.08598	9.6
108.06875	1.0
109.07630	2.3
111.07963	0.8
115.05460	1.1
119.01920	13.4
119.02757	1.1
119.03076	0.6
120.97904	1.0
121.00755	0.8
125.02369	7.8
125.07108	1.7
125.09621	4.1
126.05537	0.9
127.08675	0.7
128.06229	3.4
137.02975	4.8
138.03142	1.5
138.98889	1.7
139.01836	4.5
139.02725	0.8
143.03395	100.0
144.03760	4.1
144.04678	0.8
144.06583	1.6
144.08080	3.2
144.17503	0.9
145.06538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1227
Annotation	Pseudotropine
Peak:m/z	Relative Intensity
55.05513	3.1
56.05039	2.7
56.96568	4.7
57.03430	0.9
58.06589	1.6
58.99852	0.7
59.93109	0.7
67.05500	7.6
68.05026	2.9
68.99802	0.6
69.03433	2.8
69.07076	0.9
70.06596	8.0
71.06120	0.5
72.08152	0.5
77.00896	1.7
79.05496	3.9
80.05021	1.4
81.03425	0.8
81.04538	1.6
81.05798	0.9
81.07035	0.7
81.43460	0.6
82.06580	4.2
83.01333	0.6
83.04994	0.6
83.07341	1.5
84.08123	2.5
86.06075	0.9
87.04427	0.6
89.00894	0.8
91.05469	2.3
93.07041	10.2
94.06567	1.9
94.07377	0.5
95.01952	0.8
95.04963	1.6
95.06084	0.7
95.07365	0.7
95.08603	1.8
96.04499	0.9
96.08127	74.6
97.02886	2.3
97.07658	2.2
97.08446	1.6
98.06054	2.5
98.09686	5.3
98.97570	0.5
100.07593	1.0
101.00861	4.0
107.04945	0.9
109.08870	0.8
114.05485	0.7
114.09181	1.7
115.03957	0.4
116.98621	1.1
118.03534	0.6
118.96774	1.4
118.98210	1.0
119.01915	32.1
124.07614	1.4
124.11225	48.4
125.02350	1.8
125.05981	2.0
125.07108	0.9
125.11557	2.1
126.72685	0.5
133.03432	0.5
136.04530	1.3
136.99228	0.8
137.02956	13.9
139.45619	0.5
142.03482	2.5
142.05040	0.7
142.08698	3.4
142.12268	100.0
143.03380	15.5
143.05090	0.7
143.07104	0.6
143.12637	3.4
160.04576	1.0
161.02942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1226
Annotation	Pseudotropine
Peak:m/z	Relative Intensity
55.01863	3.2
55.05518	3.0
55.65904	0.5
56.05022	2.1
56.96562	1.9
57.05818	0.9
58.06596	0.8
59.04988	1.8
59.93108	0.6
61.02917	2.4
67.05504	6.8
68.05035	3.6
69.03432	6.3
69.07061	1.2
70.06583	5.6
71.01344	1.0
71.56776	0.8
72.04524	0.7
72.08141	0.6
77.00907	0.9
79.05476	1.7
80.05010	0.6
81.03399	0.6
81.04546	0.7
82.06587	3.9
83.01328	2.1
83.07350	0.8
85.02901	0.8
86.38594	0.5
87.04469	3.9
91.05492	2.9
93.07041	9.0
94.06554	2.0
95.04981	1.5
95.07345	0.6
95.08601	1.5
96.04460	1.0
96.08128	66.0
97.02863	4.9
97.07655	1.2
97.08466	1.5
98.06072	1.2
98.09692	7.7
100.07594	0.9
101.00864	2.3
111.00835	3.9
114.09116	0.9
115.03912	1.2
117.35339	0.5
118.03537	0.9
118.96743	1.2
119.01920	19.2
124.07639	1.0
124.11227	44.3
125.02347	5.4
125.11549	1.0
125.57601	0.6
127.85897	0.5
128.03302	0.6
128.06129	0.6
137.02953	11.3
142.02260	0.5
142.03500	1.7
142.04991	1.7
142.08638	2.4
142.12270	100.0
143.03391	49.2
143.12625	4.1
160.04469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01875	4.0
55.05507	4.5
56.05028	1.8
56.96557	1.6
57.03416	0.8
57.07044	0.7
58.06578	1.0
59.04990	1.1
59.93082	0.9
61.02913	3.1
67.05493	6.8
68.05024	3.4
69.03419	7.6
69.07054	1.3
70.06595	7.7
71.04982	1.2
71.57240	0.9
72.04487	0.8
75.04327	0.8
78.43709	0.7
79.01846	0.6
79.05492	4.1
80.05003	1.5
81.04539	1.0
81.05798	0.8
82.06581	4.1
83.01343	2.0
83.07346	1.9
84.08150	1.0
87.04456	4.8
91.05476	2.6
93.07044	8.9
94.06568	1.7
95.04965	1.7
95.07356	0.6
95.08582	1.9
96.04501	1.7
96.08127	73.9
97.02891	6.0
97.06499	0.7
97.07652	1.3
97.08411	1.6
98.06062	2.1
98.09678	6.8
99.04517	0.9
101.00870	2.2
111.00787	3.3
114.09147	1.1
115.03951	1.6
118.03522	0.8
119.01921	22.4
120.28463	0.6
124.07579	1.1
124.11224	46.2
125.02354	5.0
125.06003	1.8
125.06973	0.6
125.11563	2.2
128.06227	0.7
136.04590	1.6
137.02954	13.5
142.02235	0.6
142.03526	2.2
142.04980	1.7
142.08594	3.1
142.12268	100.0
143.03392	48.9
143.12639	3.9
160.04558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01867	2.0
55.05510	4.6
56.05029	3.9
56.96558	5.7
58.06584	2.7
58.99866	0.9
59.93090	1.3
60.04510	0.8
65.03942	0.7
67.05504	6.7
68.05021	3.6
69.03414	2.9
69.07058	1.4
70.02133	0.7
70.06589	8.0
71.06103	1.0
71.14617	2.1
72.08148	1.9
77.00893	2.2
79.05488	1.5
81.03386	0.7
81.04533	2.1
81.05793	1.2
82.06573	3.4
83.07374	2.2
83.97623	1.5
84.08128	3.8
86.06055	1.6
86.09673	0.8
91.05457	2.7
93.07031	8.3
94.06558	1.3
95.01945	1.1
95.04961	1.2
95.06089	0.9
95.08604	1.9
96.08125	71.9
97.02885	2.4
97.06522	0.9
97.07629	1.9
98.09679	6.2
100.07642	1.2
101.00877	4.1
112.08748	0.9
113.10731	0.9
114.09129	1.5
116.98618	1.0
118.96756	2.1
118.98232	1.0
118.99017	0.9
119.01912	29.9
124.07645	1.3
124.08690	1.2
124.11221	44.2
125.02351	2.8
125.11584	1.1
128.06221	0.8
134.99605	0.8
136.04610	0.9
136.99232	1.7
137.02948	12.7
142.03468	3.7
142.05037	1.5
142.08621	2.9
142.12262	100.0
143.02249	1.2
143.03394	18.2
143.12646	1.2
146.76517	0.9
153.38591	0.8
160.04529	1.6
161.02933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	2.6
54.98623	1.4
55.22289	1.1
56.03786	1.0
56.05021	3.5
56.96564	60.5
57.93572	1.2
59.06107	1.5
67.03001	1.7
68.05024	1.6
70.06593	1.4
71.48923	1.5
71.95271	7.5
81.04530	2.3
83.06100	2.6
84.04483	1.3
94.06559	3.1
95.01315	5.5
95.04950	1.9
95.06100	3.8
96.04475	1.2
96.05614	2.9
97.06386	1.1
98.07148	2.6
98.97582	91.4
99.05563	3.3
112.03956	2.6
113.07095	1.8
116.94219	0.9
116.97235	2.7
116.98615	100.0
117.98952	1.9
122.07115	2.0
123.05537	3.4
124.43424	1.1
125.02361	1.3
134.99652	89.5
136.00017	1.7
140.00208	2.7
140.03464	2.7
140.07071	2.4
140.08186	4.3
141.01834	1.4
141.05443	2.0
153.00688	16.5
158.01259	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.3
54.03473	15.0
54.84138	1.2
55.01863	3.7
55.05511	2.0
56.03770	5.0
56.04784	2.0
56.05037	24.3
56.94458	1.6
56.96562	49.5
57.04561	4.6
57.93556	7.0
58.02954	4.3
58.06581	2.3
59.06135	8.6
60.04514	2.1
65.03940	3.6
67.02967	6.3
67.05504	37.4
68.05019	6.7
69.03425	3.3
69.04544	2.1
69.07057	8.6
70.06586	6.2
71.04992	1.6
71.06128	9.2
71.95260	7.5
72.04503	3.0
72.06858	1.4
72.21500	1.4
80.05025	1.5
81.03414	3.6
81.04536	11.1
81.07014	2.2
82.02938	4.5
82.06580	2.8
83.06104	18.8
84.04063	1.8
84.04492	10.3
84.08135	5.6
88.43396	1.4
89.39896	1.5
93.05777	8.9
93.07062	1.7
94.06564	39.9
95.01338	1.7
95.04970	42.0
95.06062	15.1
95.08608	7.0
96.04487	6.8
96.05625	18.0
97.06417	5.9
98.07185	18.3
98.97575	54.4
99.04515	1.8
99.05569	9.3
105.04510	4.1
112.03965	4.7
112.07565	6.8
113.02364	4.7
113.06017	1.8
113.07160	7.6
116.97346	10.5
116.98611	75.5
122.03233	2.0
122.06030	50.7
122.07117	10.5
123.04611	2.5
123.05547	30.4
123.06373	3.2
123.08090	1.7
123.09239	2.4
125.02346	1.9
134.99652	100.0
140.00211	3.7
140.03424	5.4
140.07057	24.3
140.08189	23.6
140.10716	2.0
140.11794	2.7
141.01814	6.0
141.05553	2.3
141.06593	7.8
153.00713	24.4
158.01273	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08332	8.3
70.92898	27.9
74.15463	8.4
78.63212	8.6
82.67485	7.2
91.67814	7.5
95.24048	10.2
96.04301	9.3
97.55749	9.1
98.56879	8.7
113.44736	11.2
118.03497	8.7
118.87342	10.5
119.01917	100.0
137.02969	42.1
142.03517	11.2
143.03394	17.4
143.21478	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32853	0.9
54.03470	6.5
56.03762	2.3
56.05035	15.5
56.20653	0.8
56.42019	0.9
56.96561	49.3
57.03423	1.0
57.04548	1.7
57.93550	2.8
58.02954	1.0
58.05345	0.9
59.06107	3.4
67.02969	2.5
67.05502	1.0
68.05026	6.0
69.04545	2.0
70.06590	1.9
71.06096	3.5
71.35959	1.3
71.95260	7.1
72.04510	1.9
80.05020	0.8
81.04534	6.5
82.02923	2.7
82.05315	1.9
82.06570	1.2
83.06095	9.7
84.04507	5.5
94.06548	1.4
95.01281	1.3
95.06075	9.8
96.04490	3.2
96.05599	6.5
96.83721	0.6
97.06389	3.3
97.83233	0.7
98.06102	1.0
98.07181	8.1
98.97578	60.9
99.05574	8.3
100.06340	1.4
112.03973	1.2
112.07571	1.0
113.02328	1.5
113.07121	6.1
115.72614	0.8
116.97212	6.6
116.98610	94.4
117.98969	1.0
118.03486	1.4
119.01876	1.8
122.06082	1.2
122.07137	5.4
123.05542	11.9
134.02936	0.9
134.99649	100.0
136.00043	0.9
136.02733	2.7
140.00177	2.5
140.03404	2.1
140.07094	1.6
140.08162	18.1
141.01834	1.3
141.06551	2.4
153.00696	27.4
153.04234	1.6
158.01245	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03938	1.5
54.03472	3.0
55.01870	3.5
55.05503	6.8
56.03789	1.1
56.05022	4.5
56.39489	0.6
56.96561	17.0
57.03423	1.2
57.04551	1.5
57.06830	0.5
57.07071	3.6
57.93555	3.1
58.02971	0.7
58.06602	1.1
59.04998	3.3
59.06121	1.7
65.03938	9.1
67.03012	0.9
67.05504	6.4
68.05025	2.7
68.05827	1.7
68.99812	0.5
69.03424	100.0
69.05361	0.8
69.07065	6.2
70.03755	2.4
70.06582	2.8
71.06115	2.4
71.31647	1.4
71.95262	2.9
72.04503	0.8
72.79531	0.5
79.05495	7.5
80.05013	0.7
80.05824	0.7
81.04539	2.5
81.07043	3.5
82.02946	1.0
82.06584	2.1
83.04974	13.6
83.06106	4.1
83.06904	1.8
84.04493	1.9
91.05472	5.6
93.03391	0.7
93.07036	15.0
94.06561	2.7
94.07381	0.9
95.04971	8.0
95.06097	3.7
95.06890	0.7
95.08595	7.2
96.04498	0.8
96.05648	3.3
96.08926	1.5
97.02876	2.0
97.04056	0.6
97.06520	17.2
97.07610	1.4
97.10139	1.1
98.06101	0.7
98.07176	7.9
98.97581	15.6
98.98458	3.3
99.05565	2.5
103.05450	0.6
105.04474	1.2
105.07023	6.3
106.07855	0.6
109.08470	1.2
110.07230	0.8
110.09672	1.8
111.04435	19.1
111.08068	2.4
111.09275	1.4
111.10006	10.0
111.79861	0.6
112.03959	1.4
112.07545	0.7
112.08741	1.7
113.07129	1.9
116.97362	3.4
116.98612	26.7
119.08588	1.3
121.02870	4.0
121.03934	0.8
121.06510	1.6
121.08418	1.7
121.10133	10.8
122.06053	1.6
122.07153	5.1
123.05550	7.7
123.08005	1.1
125.02348	1.8
130.01651	0.8
134.99646	40.3
139.03922	5.5
139.05859	1.7
139.07526	2.4
139.09578	4.4
139.11169	34.9
140.00160	1.0
140.03401	2.1
140.07103	0.9
140.08170	6.8
140.11520	1.8
141.06592	2.2
150.71944	0.6
153.00691	11.4
158.01230	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Salicylate
Peak:m/z	Relative Intensity
50.00481	0.3
53.03938	1.4
54.03461	1.5
55.01871	1.6
55.05510	3.0
55.80371	0.4
56.03763	0.7
56.05033	5.5
56.37630	0.3
56.96561	8.5
57.03412	0.6
57.04555	0.7
57.93556	1.5
58.02938	0.3
58.06585	0.9
59.06102	1.6
65.03938	20.1
66.04279	0.8
67.02967	0.8
67.05492	2.2
68.05016	1.4
68.99780	0.8
69.03423	2.7
69.04545	1.2
69.07070	2.9
70.06586	1.4
70.82401	0.9
71.04992	0.7
71.06110	1.2
71.95244	1.1
72.04480	0.5
79.01870	0.4
79.05501	2.1
80.05025	0.5
81.03413	0.4
81.04533	2.3
81.07040	0.9
82.02938	1.3
82.05317	0.4
83.04984	3.4
83.06107	3.7
84.04492	1.7
84.05621	0.6
85.04046	0.3
91.05466	1.9
93.03392	5.8
93.07036	4.2
94.06566	1.5
95.04966	4.8
95.06078	3.2
95.08600	2.1
96.04466	0.8
96.05624	3.0
96.06880	0.4
97.02898	0.8
97.03961	0.4
97.06489	3.4
97.07649	1.5
98.03644	0.5
98.07178	4.9
98.97578	9.3
98.98470	2.0
99.05575	1.8
105.04489	0.4
105.07032	0.7
107.39476	0.4
110.03652	0.5
111.04436	17.8
111.08081	0.9
111.09200	0.6
112.04000	0.6
112.04809	0.5
112.07613	1.1
112.08722	2.1
113.07121	1.4
115.79313	0.3
116.97323	2.2
116.98611	14.0
116.99448	0.7
121.02860	100.0
121.10141	1.4
122.03168	4.4
122.07155	2.9
123.05546	3.8
123.09199	0.5
125.02335	0.8
134.99649	19.1
139.03900	6.9
139.04906	0.5
139.05881	0.8
139.07529	1.0
139.08673	0.8
139.09769	4.9
139.11125	1.6
139.12189	0.5
140.03386	0.8
140.07082	1.0
140.08157	4.7
141.06593	0.7
153.00714	3.8
158.01241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0913
Annotation	4-Hydroxy-2,6-dimethylaniline
Peak:m/z	Relative Intensity
53.03947	1.0
54.84083	0.4
55.01876	1.7
55.05508	4.3
56.03775	0.4
56.05043	2.0
56.96563	1.3
57.07058	0.5
59.05008	0.4
65.03938	4.6
66.03418	0.4
67.04285	0.3
67.05501	15.6
68.05025	14.3
68.05398	0.7
68.05828	1.9
69.03426	11.9
69.04565	0.7
69.05817	0.5
69.07074	0.9
70.02936	0.6
70.06589	8.0
71.04985	1.6
71.57123	0.4
72.04529	0.5
79.05473	1.7
80.05019	2.9
80.05824	0.8
81.03407	0.4
81.05824	0.6
81.07062	1.8
82.06576	24.6
82.07387	1.5
83.04972	2.4
83.06100	0.6
83.06928	0.6
83.08616	0.5
84.08132	0.4
91.05489	3.9
92.04998	1.3
92.05797	0.9
93.03389	0.7
93.04510	0.5
93.05788	0.7
93.07034	8.4
94.02898	0.4
94.04199	0.4
94.06561	13.7
95.04488	0.8
95.05006	3.7
95.06067	1.0
95.07368	0.8
95.08599	12.6
96.04482	1.7
96.06878	0.4
96.08945	1.3
97.02921	0.6
97.06519	2.1
97.07625	0.9
98.04791	0.9
98.98477	1.6
103.05464	3.3
105.04520	0.6
105.07003	0.7
107.04946	0.5
108.05263	0.7
108.08112	11.9
109.06546	0.4
110.06054	7.5
110.09674	100.0
111.04440	4.0
111.05544	1.3
111.08095	0.7
111.09239	0.5
111.09991	2.9
118.06526	1.5
120.04482	0.9
120.05550	0.7
120.08102	17.3
121.02875	1.4
121.03973	0.6
121.06524	0.9
121.07592	0.5
121.08443	0.8
121.10101	1.5
122.07217	0.5
122.47719	0.3
123.03951	1.6
123.06775	1.3
123.07626	3.1
136.42017	0.4
138.01718	1.0
138.05489	21.9
138.06438	2.2
138.09119	41.8
138.09995	2.6
139.03888	1.1
139.05850	1.1
139.07538	0.9
139.09544	1.7
139.11174	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0913
Annotation	4-Hydroxy-2,6-dimethylaniline
Peak:m/z	Relative Intensity
50.13658	0.9
53.03937	1.4
55.01875	1.1
55.05501	3.8
56.05019	3.1
56.96565	1.6
65.03931	3.3
67.05499	14.6
67.16309	0.9
68.05026	14.4
68.05810	2.3
69.03415	2.3
69.04549	1.9
69.07050	1.5
70.02943	1.1
70.06584	8.0
70.72440	2.9
71.04978	0.9
72.04513	1.7
79.05479	1.6
80.04998	4.1
81.05769	1.4
81.07070	2.2
82.06576	26.2
82.07327	1.4
83.04987	2.0
83.06097	2.2
91.05466	4.1
93.07031	7.8
94.06564	13.3
95.04964	3.6
95.08594	12.7
96.04474	1.9
96.08978	1.6
97.06465	1.4
97.07658	3.1
98.04825	1.4
98.21373	1.1
103.05454	1.7
108.08105	13.4
110.06077	5.0
110.09673	100.0
111.04451	3.6
111.05555	2.5
111.09996	2.4
120.04479	1.0
120.08099	19.1
121.02865	3.2
121.03972	0.9
121.06471	1.3
121.07607	1.6
121.28025	0.9
123.03956	1.6
123.06825	1.6
123.07649	1.1
138.01747	1.2
138.05487	15.1
138.06528	2.7
138.09128	43.5
138.10071	2.4
139.09607	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
53.84567	0.4
54.03463	0.5
55.01860	1.1
55.05510	2.8
57.03442	0.5
60.41725	0.5
65.03928	2.1
66.04724	1.7
67.05503	32.4
68.05007	0.8
68.05846	0.7
68.99789	0.7
69.03429	2.6
69.07062	2.6
71.02904	0.7
71.03217	0.5
72.04504	0.6
72.58134	0.4
74.15997	0.4
77.03932	1.1
79.05489	8.1
80.05009	0.5
81.03422	1.9
81.04544	0.9
81.07054	14.9
91.05478	18.2
92.05025	0.6
92.05791	0.5
93.07047	5.0
94.04185	9.6
94.06570	2.5
94.07827	1.8
95.04974	7.2
95.06101	0.4
95.07988	0.6
95.08604	11.1
96.04491	0.5
97.06399	1.8
98.04813	0.6
103.05477	1.8
104.06239	1.2
105.04505	0.6
107.04948	27.0
107.08604	1.5
108.05289	0.8
109.06517	2.5
109.10149	28.3
110.06036	1.9
110.07171	1.6
110.09704	0.6
110.10466	1.1
117.06979	2.7
119.04914	0.7
119.08580	14.1
121.06499	10.0
122.03660	11.8
122.07282	100.0
123.07613	3.6
135.08058	4.2
137.02368	1.5
137.05975	14.7
137.09610	64.2
138.05487	7.5
138.06433	0.9
138.09093	0.5
138.09984	3.2
139.07585	0.5
147.69368	0.5
158.67679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01876	0.7
55.05508	2.0
62.17537	0.6
63.08940	0.5
65.03932	1.3
65.96559	0.6
67.05499	28.1
68.05826	0.7
69.03428	1.5
69.07054	2.0
69.30958	5.4
76.82086	0.4
78.04728	0.6
79.05484	5.1
81.07050	7.7
91.05474	13.9
93.07028	4.2
94.04180	1.3
94.07835	1.2
95.04969	4.9
95.08614	5.1
96.05691	0.6
103.05460	2.1
104.06241	1.7
106.31776	0.5
107.04948	27.4
107.08569	1.5
109.06493	1.4
109.10149	28.1
110.10426	1.2
115.05418	0.6
117.07031	2.2
119.08574	14.9
120.08871	0.5
121.06494	9.2
122.03667	1.4
122.07278	100.0
123.07639	2.9
131.67285	0.6
135.08061	4.7
137.06010	2.5
137.09608	60.7
137.32880	0.6
138.05473	1.0
138.09973	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03932	0.9
56.96555	0.4
65.03949	2.1
67.05499	1.7
69.97500	1.1
78.03442	0.7
79.04220	0.5
80.05006	0.4
86.91776	0.2
92.04996	4.6
93.05791	1.5
94.06565	28.1
95.06895	0.9
96.04494	5.4
98.97559	0.3
110.06039	27.4
111.06374	0.6
138.05496	100.0
139.05849	3.6
145.85773	0.3
154.05000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
60.13974	0.3
65.03938	2.5
67.05501	1.8
69.89780	1.7
74.84774	0.3
78.03450	1.1
79.04235	0.7
92.05003	5.4
93.05791	1.6
94.06565	30.8
95.06908	0.8
96.04491	5.6
98.20708	0.3
110.06038	27.5
111.06378	1.1
138.05495	100.0
139.05864	3.3
154.05005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0914
Annotation	1-(p-Hydroxyphenyl)ethylamine
Peak:m/z	Relative Intensity
52.06805	0.7
53.03934	2.3
54.03454	1.7
55.01874	3.7
55.02995	1.0
55.05509	6.4
56.05035	4.8
56.96562	3.5
62.22070	0.7
65.03940	15.5
65.07661	0.7
66.03453	1.1
67.05506	19.4
68.05032	17.4
68.05817	0.9
69.03424	2.6
69.04562	4.0
69.07057	1.8
70.02972	3.8
70.06595	10.2
71.04988	1.7
72.04514	3.1
72.08157	0.9
79.02972	1.2
79.05480	2.0
80.04993	4.3
81.04548	3.0
81.07069	1.6
82.02966	1.0
82.04899	0.8
82.05341	1.3
82.06580	28.2
83.04999	3.9
83.06103	6.4
83.08593	1.1
90.66613	0.7
91.05476	4.1
92.05003	1.8
92.05841	1.1
93.03407	2.7
93.04538	1.5
93.07045	10.5
94.06570	17.8
95.04467	1.0
95.04996	6.2
95.06094	3.3
95.07375	1.4
95.08613	12.7
96.04497	3.3
96.05621	1.3
96.06857	1.0
97.02888	0.7
97.04009	2.5
97.06483	1.9
97.07653	4.7
98.04794	3.6
98.07191	2.1
98.98476	3.0
103.05478	2.6
104.62396	0.8
108.08129	13.6
110.06055	11.0
110.09682	100.0
111.04448	12.6
111.05567	10.9
111.08102	1.6
111.09305	1.5
111.10030	3.9
112.08708	1.6
118.06516	1.3
120.04588	1.8
120.05601	6.0
120.08096	17.5
121.02874	48.9
121.03958	4.8
121.06461	1.0
121.07637	1.9
121.10091	0.8
122.07158	1.5
123.03985	1.8
134.75998	0.8
138.01736	2.1
138.05515	28.9
138.06604	10.2
138.09154	38.7
138.10240	5.2
139.03903	4.4
139.07573	1.7
139.09726	4.3
139.11182	1.4
139.12242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05502	4.2
60.76491	1.2
65.03929	2.4
65.39414	1.1
66.04713	3.3
67.05505	39.9
69.03413	2.5
69.07053	1.3
69.31013	2.9
69.31422	11.1
79.05496	8.7
81.03436	3.0
81.07053	15.3
91.05480	20.4
93.07027	4.9
94.04192	26.2
94.06577	2.8
95.04974	6.2
95.08603	14.7
96.04475	1.5
102.15765	1.3
103.05432	1.3
104.85172	1.1
107.04964	26.9
107.08565	2.3
107.18480	1.2
108.05302	1.6
108.54974	1.2
109.06513	5.7
109.10161	33.2
110.06045	2.4
110.07167	2.1
117.06982	3.2
118.64866	1.2
119.08575	14.3
121.06528	7.3
122.03658	28.3
122.07285	100.0
123.07574	2.5
135.08009	2.9
137.02440	2.7
137.05980	34.2
137.09613	66.8
138.05498	8.6
138.09998	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.62637	0.7
53.03926	3.3
55.01873	0.9
55.05497	3.3
55.64181	0.8
57.07080	1.2
59.08565	0.8
65.03941	2.0
66.04713	2.9
67.05504	37.5
67.94126	0.8
68.05830	0.9
69.03416	1.6
69.07068	1.9
71.17721	1.9
75.98699	0.9
79.05482	7.3
81.03415	1.4
81.07053	18.5
82.07297	0.8
90.23899	0.9
91.05478	16.5
93.05780	0.8
93.07040	7.1
94.04183	17.6
94.07835	1.6
95.04453	0.9
95.04970	5.7
95.08600	19.6
95.39684	0.8
97.06390	1.6
100.21933	1.0
103.05453	2.6
103.99509	0.9
104.06277	1.1
107.04945	28.5
107.08578	1.8
109.06507	3.8
109.10150	30.4
109.41841	0.9
110.10516	0.8
113.49340	0.8
117.07034	2.3
119.08581	13.5
121.06516	9.6
122.03654	18.7
122.07280	100.0
123.03999	1.1
123.07615	3.0
135.08040	4.1
137.02408	1.2
137.05972	20.8
137.09608	62.1
137.13249	1.4
138.05476	2.5
138.09947	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03938	12.0
54.03462	3.3
55.01857	6.6
55.05511	10.9
57.07066	6.1
57.79363	1.3
65.03939	10.2
65.33144	1.3
66.04720	9.0
67.05502	83.4
68.05019	4.1
68.05823	1.8
68.99781	3.5
69.03407	4.8
69.04534	4.3
69.07076	7.3
69.40202	13.1
72.04515	2.2
79.05493	27.7
79.90875	1.3
80.05017	2.0
81.03425	14.3
81.04533	11.0
81.07053	64.7
82.06580	5.2
82.07381	2.9
83.06104	2.9
86.24383	1.3
91.05476	51.5
92.04987	3.4
92.05832	2.2
93.03416	1.4
93.04522	1.3
93.07043	24.9
94.04183	56.3
94.04783	3.0
94.06556	10.5
95.04971	26.1
95.06075	2.0
95.08604	72.1
96.04490	4.7
96.05613	4.8
96.06237	1.3
96.06937	1.5
96.08929	2.7
97.04005	1.9
97.06401	16.7
97.07661	2.8
98.04789	4.8
103.05453	2.7
103.36485	1.3
105.04511	2.3
105.07013	2.0
107.04953	33.4
107.08600	5.8
109.06517	33.0
109.10152	44.1
110.06036	15.1
110.07163	16.4
110.09663	5.6
110.10434	1.8
111.05554	3.4
117.06982	3.5
119.04951	4.3
119.06055	1.4
119.08569	21.0
120.04482	3.4
120.05569	1.9
120.08106	1.6
121.06496	11.2
121.07340	1.8
121.07552	1.5
122.02760	2.4
122.03646	59.6
122.07278	100.0
123.06816	1.6
123.07626	2.8
127.03886	2.5
135.08044	5.8
137.02446	17.1
137.05972	78.4
137.08073	6.4
137.09610	80.6
137.13245	4.1
138.01750	4.4
138.05496	47.9
138.06477	4.8
138.09126	8.9
138.10086	4.0
158.01144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03936	4.8
55.01857	3.0
55.05505	12.6
57.03422	1.2
57.07054	2.0
65.03930	10.4
65.35632	1.3
66.04720	2.4
67.05502	89.2
68.05043	1.8
69.03432	6.4
69.07054	4.9
71.13116	3.6
79.05484	20.4
81.03426	6.5
81.04528	1.5
81.07050	45.8
82.06555	1.7
82.07393	1.7
83.04951	3.6
91.05473	66.6
92.05795	2.9
93.07039	13.9
94.04176	19.3
94.06593	1.7
94.07822	2.7
95.04967	22.0
95.08601	37.2
95.22478	1.4
96.05681	1.1
97.06409	2.9
100.00030	1.2
103.05446	2.7
104.06239	2.9
105.06977	2.0
107.04949	33.7
107.05628	2.5
107.08634	6.4
108.05750	2.6
109.06509	55.5
109.10149	51.8
110.06065	1.5
110.06871	1.6
110.09690	7.7
110.10433	2.4
110.95013	1.2
117.07016	4.3
119.04948	3.9
119.06077	1.9
119.08564	18.1
121.06483	11.2
122.03646	16.5
122.07280	100.0
123.07655	3.6
123.84284	1.3
131.25194	1.2
135.08044	3.6
137.05978	27.8
137.09608	92.7
138.05499	6.1
138.09073	2.6
138.10011	3.1
154.64020	1.4
158.67929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95639	1.7
53.03934	7.7
54.03453	2.0
55.01880	9.6
55.05508	15.7
55.14103	1.6
56.05022	1.6
56.75714	1.5
57.07065	2.0
65.03942	8.7
66.04711	2.3
67.05499	93.4
67.32225	1.7
68.05019	4.3
69.03419	4.8
69.04540	3.0
69.07059	4.6
69.99206	11.2
71.58946	1.9
72.04517	2.2
79.05484	24.2
79.85915	1.7
81.03419	13.0
81.04523	6.8
81.07048	41.7
82.06580	4.3
83.04980	4.0
91.05473	63.2
92.05784	3.1
93.07040	19.0
94.04182	29.4
94.06571	9.2
94.07823	3.6
95.04960	29.3
95.06042	2.0
95.08597	33.4
96.04474	3.3
96.05697	1.7
97.06380	14.0
97.07681	2.1
98.04790	4.6
103.05437	2.0
104.06277	2.8
105.07040	2.9
107.04946	26.3
107.08561	12.0
108.05766	2.2
109.06509	46.1
109.10149	44.1
110.06073	9.3
110.07158	8.2
110.09681	3.7
110.10444	1.9
111.05556	3.4
113.36726	1.7
117.07004	5.5
119.04916	2.2
119.08567	19.1
121.06507	8.2
121.07631	1.7
122.03648	29.3
122.07282	84.4
123.07620	3.0
127.03900	2.2
135.08057	2.4
137.02425	13.8
137.03380	3.0
137.05969	42.0
137.08220	4.7
137.09613	100.0
137.13182	2.2
138.05508	29.1
138.06500	4.9
138.09129	6.2
138.10036	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02383	1.5
51.68699	1.0
53.03931	2.2
53.33705	1.1
65.03944	2.7
66.04724	13.4
67.81870	1.3
70.40581	3.0
70.40973	2.8
77.03936	1.6
79.05490	6.9
81.07064	2.0
91.05470	5.3
94.04186	79.5
95.04984	3.2
96.60382	1.2
102.18237	1.1
104.25163	1.3
107.04949	3.0
120.22221	1.1
122.03646	98.0
123.03973	2.9
137.05975	100.0
138.06316	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02391	0.6
53.03954	3.0
55.01875	2.3
55.05513	3.1
56.96573	0.6
57.07075	1.4
60.14491	0.5
65.03932	5.4
66.04723	10.3
67.05502	23.2
68.05022	0.8
68.05838	0.7
69.03425	2.4
69.04542	0.5
69.07057	2.4
71.58084	0.8
74.57198	0.6
77.03931	1.4
79.05491	12.2
81.03419	2.6
81.04528	1.3
81.07053	16.9
82.06590	1.1
90.22651	0.5
91.05478	19.4
92.04995	0.8
92.05809	0.7
93.07030	5.2
94.04182	67.6
94.06577	2.0
95.04492	1.9
95.05007	6.5
95.08602	17.0
96.04490	0.6
96.05643	1.2
96.08901	0.7
97.06415	4.4
103.05480	0.9
105.03427	0.8
105.04510	1.0
107.04955	13.3
107.08595	2.1
109.06506	5.9
109.10157	16.2
110.06055	2.6
110.07166	3.5
110.09677	1.0
111.05578	0.9
117.07015	1.2
119.04949	1.2
119.08580	8.1
121.06518	4.1
122.03644	85.6
122.07281	38.4
123.03936	3.4
123.06783	0.7
123.07603	1.3
135.04456	1.0
135.08049	1.3
137.02510	3.2
137.05971	100.0
137.09610	29.2
137.13254	0.8
138.05482	7.2
138.06400	3.7
138.09077	1.4
138.10068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42814	0.9
51.98452	0.8
53.03941	7.2
53.67530	0.8
54.03462	1.3
55.01871	8.9
55.05504	11.6
57.03426	1.6
57.07059	2.2
58.53788	0.8
60.80547	0.9
64.77424	0.9
65.03928	6.6
66.04703	3.6
67.05502	84.0
68.05006	1.7
68.05825	1.6
69.03432	4.8
69.04550	2.3
69.07077	4.8
69.24880	11.2
70.02967	1.0
79.05494	18.6
79.16280	0.9
81.03423	7.0
81.04549	5.4
81.07051	40.6
82.06570	3.1
83.04986	2.5
91.05475	42.7
92.05829	2.0
93.07039	14.3
94.04183	17.5
94.06551	3.9
94.07835	1.4
95.04971	22.0
95.06037	1.1
95.08600	30.3
96.05637	3.1
97.06389	6.6
98.04788	2.3
103.05450	2.8
104.06243	2.3
105.06980	1.2
107.04951	32.9
107.08591	5.1
108.05757	2.1
109.06512	43.3
109.10152	44.2
110.06069	4.8
110.07179	5.4
110.09667	6.1
110.10429	1.7
111.05563	1.8
117.07024	3.7
117.24620	0.8
119.04913	2.1
119.06011	1.9
119.08569	19.3
120.05550	1.1
120.08123	1.1
120.08884	1.1
121.06506	9.8
122.03648	20.3
122.07278	100.0
123.06776	1.3
123.07644	3.3
127.03902	1.4
135.08089	3.7
137.02412	3.4
137.03435	0.9
137.05974	26.8
137.09615	74.1
138.01721	1.1
138.05499	10.9
138.06453	1.2
138.09123	3.3
138.10049	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02374	0.8
53.03947	3.3
55.01865	1.7
55.05507	1.2
56.96561	1.1
57.03432	1.1
59.37994	0.8
65.03937	4.4
66.04719	13.5
67.01839	0.7
67.05499	10.3
69.03433	1.1
69.07066	1.0
70.59219	1.1
75.19325	0.8
77.03929	1.5
79.05490	8.1
81.03425	4.6
81.07048	8.0
91.05473	10.1
93.05859	0.7
93.07051	1.8
94.04180	78.5
95.04490	2.0
95.05003	5.9
95.08601	5.5
102.32116	0.8
105.03379	1.2
105.04522	0.9
107.04978	3.6
109.06509	3.9
109.10143	2.5
110.06040	1.2
116.94673	0.6
119.04896	1.4
119.08543	0.8
120.04507	0.7
122.03641	94.3
122.07310	4.5
123.03964	3.7
127.03936	0.9
135.04358	1.2
137.02518	4.5
137.05966	100.0
137.09572	4.9
138.01680	1.6
138.05440	2.2
138.06348	4.8
138.09145	1.4
138.56837	0.7
148.88171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
54.90456	0.3
65.03921	0.4
67.02979	1.0
69.91080	1.9
82.04073	0.6
82.21769	0.3
91.05484	1.8
92.02477	1.4
94.04047	7.5
109.05106	1.7
110.03493	0.4
112.05071	0.8
119.03542	21.4
120.03876	0.4
136.02138	1.0
136.06175	100.0
137.04582	14.2
137.05731	0.6
137.06490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54147	0.6
52.90328	0.5
53.00291	0.5
53.03904	0.6
63.68465	0.6
65.03931	0.8
67.02964	0.9
68.05014	1.2
70.78478	1.3
81.03408	1.9
91.05473	3.0
92.02469	1.1
93.07012	0.7
94.04068	5.6
95.06116	1.1
96.06857	1.0
97.41256	0.5
106.06461	0.6
108.08116	0.6
109.01105	0.9
109.05133	1.1
109.07661	1.0
112.05051	0.9
118.06546	0.7
119.03545	13.8
122.03653	1.7
136.02151	10.2
136.06177	100.0
137.02368	1.7
137.04578	10.5
137.05864	1.9
137.06671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
51.02365	0.5
53.03941	1.8
53.51101	0.4
54.03460	0.7
55.01867	0.7
55.05503	0.6
56.96560	0.6
59.73882	0.4
62.44794	0.4
65.03948	3.6
65.04636	0.4
65.91121	0.4
66.04716	0.4
66.77977	0.4
67.05497	1.8
67.45653	0.4
68.05024	3.0
68.99806	0.4
69.03426	0.7
70.18214	2.1
76.81860	0.5
79.05502	2.1
80.05034	3.4
80.05827	0.7
81.03419	1.6
81.04528	2.3
81.05785	0.5
81.07044	3.0
82.06586	0.7
89.03886	0.6
90.04243	1.5
91.05478	100.0
92.02489	0.7
92.05009	0.7
92.05798	3.7
93.05775	2.1
93.07045	2.1
94.04153	4.6
94.06580	2.2
95.04960	3.1
95.06081	2.5
95.08614	1.1
96.05635	0.6
96.06875	3.0
97.06400	1.2
105.04523	0.4
107.04938	5.2
108.04485	1.4
108.05294	1.9
108.08126	2.1
109.01097	3.9
109.02852	0.6
109.05293	0.5
109.06522	6.0
109.07655	3.6
110.07166	1.8
112.24361	0.4
113.05918	1.1
117.05797	0.5
118.06541	4.6
119.03647	3.7
119.04937	18.9
119.06015	1.1
119.07313	0.4
119.08596	0.5
120.05289	1.0
122.03638	3.7
122.07290	1.1
127.17490	0.4
131.01831	0.5
136.02164	25.8
136.03908	1.5
136.04991	1.1
136.06189	25.8
136.07570	18.4
136.08665	3.2
136.11139	0.6
137.02409	2.5
137.04584	4.6
137.05981	5.7
137.08067	1.0
137.09618	0.7
137.10681	0.5
153.96217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02364	2.3
53.03942	13.5
55.01861	6.1
55.05505	18.3
65.03923	4.9
67.05174	2.5
67.05503	33.7
69.07068	8.0
71.58716	2.1
79.05489	94.5
80.04996	1.7
80.05811	3.4
81.03396	2.2
81.07047	36.0
91.05473	53.2
93.07040	97.7
94.07341	2.9
95.04955	26.5
105.04530	3.5
105.07047	10.7
107.04956	9.4
107.08588	65.4
108.08907	2.0
109.01077	12.3
109.06506	6.5
112.03934	3.1
117.07075	1.8
119.03580	2.4
119.08585	4.5
133.10057	2.7
135.04398	12.2
135.05359	2.9
135.06622	2.4
135.08032	7.2
135.10686	3.3
135.11679	42.5
136.02156	100.0
136.03828	2.8
136.06171	18.9
136.07489	4.5
137.04617	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02983	0.2
57.03419	0.1
63.35728	0.1
65.01419	0.2
67.02983	0.8
69.80794	0.3
82.04048	0.3
91.04897	0.1
91.05477	2.5
92.01895	0.1
92.02489	1.4
92.05820	0.1
94.04050	5.6
95.04391	0.1
98.20778	0.1
107.04932	0.2
109.05120	1.4
109.06424	0.1
112.05098	0.7
119.03547	16.7
119.04935	0.6
120.03921	0.4
121.20412	0.1
122.42469	0.1
131.01891	0.1
136.06183	100.0
137.04584	12.9
137.06601	2.4
138.04977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02372	2.5
53.03940	8.4
55.01864	2.2
55.05511	9.5
57.07075	1.9
65.03932	6.2
67.05495	5.8
68.05038	3.3
69.07068	2.6
69.45878	1.4
69.46164	13.9
79.05488	44.9
80.05031	2.0
80.05827	1.6
81.07058	5.9
91.05476	85.7
92.05780	2.2
93.07040	57.2
94.04052	1.6
95.04958	18.9
96.06915	2.4
103.05438	1.7
105.04513	3.6
105.07025	31.8
105.07694	3.0
107.04958	16.8
107.08590	100.0
108.08902	4.8
109.01102	4.0
109.06520	14.9
109.07645	2.3
115.05459	7.8
117.07053	6.8
119.06061	4.0
119.08582	17.7
120.09378	5.8
121.60220	1.5
127.27809	1.5
133.10141	2.6
135.04463	6.8
135.08061	16.1
135.10701	2.3
135.11693	34.7
136.02150	29.6
136.06157	10.0
136.07619	2.6
136.08563	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03945	11.0
54.22014	1.5
55.01864	4.7
55.05282	1.8
55.05513	12.7
58.28223	1.5
65.03925	4.2
67.05497	22.2
69.03426	2.9
69.07068	8.2
69.29462	19.0
77.03934	2.1
78.04730	2.1
79.05490	74.2
80.05025	4.2
81.07046	24.5
91.05473	43.9
91.06013	2.8
93.07038	100.0
94.07350	2.6
95.04958	19.3
105.04498	2.8
105.07022	7.8
107.04940	6.6
107.08595	49.8
108.04452	2.5
108.08927	2.2
109.01112	7.9
109.06513	4.1
115.05477	2.6
119.03555	2.1
119.06079	2.0
119.08630	3.5
133.10094	2.1
135.04417	5.7
135.08023	10.6
135.11676	27.7
136.02164	74.3
136.03822	2.9
136.06178	14.3
136.07565	4.5
137.04555	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.07541	1.0
53.03952	8.1
55.01860	1.3
55.05514	7.7
56.59324	1.0
57.07064	2.7
65.03943	4.2
67.05508	3.1
68.05025	1.9
69.07072	3.2
70.14687	5.5
79.05496	26.9
81.07048	4.9
91.05480	67.8
92.05782	1.8
92.06318	1.4
93.07043	55.7
94.04139	1.7
94.07355	1.7
95.04957	12.2
95.08607	1.2
98.20791	1.3
99.07317	1.1
103.05488	2.4
105.04494	1.4
105.07030	36.1
107.04967	2.2
107.08595	100.0
108.08927	2.3
109.06515	12.7
109.07612	1.4
115.05463	5.0
117.07030	6.2
119.06073	4.9
119.08577	21.4
119.09363	1.7
120.09380	5.7
121.07827	1.2
133.10072	1.6
135.04404	2.7
135.08035	6.5
135.11693	33.1
136.02173	10.9
136.06212	3.0
136.08606	1.1
136.12045	2.6
137.09608	1.9
146.40593	1.2
149.09592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02364	1.5
53.03711	1.0
53.03942	14.1
55.01871	5.6
55.05509	15.4
57.07063	1.6
58.97388	0.6
59.06124	0.9
59.72335	0.7
64.47599	0.7
65.03932	7.2
67.05502	8.2
68.05018	1.8
69.03431	1.5
69.07066	5.5
69.30970	4.9
69.31375	2.4
69.67029	0.6
75.05600	0.8
77.03909	2.4
79.05487	67.3
80.05009	1.9
80.05820	1.2
81.03395	1.3
81.07058	7.2
87.05573	1.3
89.03916	3.4
91.05476	89.1
92.05797	3.3
92.06281	1.7
92.76470	0.7
93.07038	66.4
94.04037	0.7
94.06588	0.9
94.07363	2.3
94.07880	1.3
95.04963	33.6
95.06030	1.4
95.08609	1.6
96.05270	1.4
96.06857	3.5
103.05456	2.4
104.06238	2.2
105.04527	5.9
105.07027	37.9
106.07300	1.0
106.07918	0.9
107.04950	100.0
107.08588	92.3
108.04557	0.7
108.05305	3.2
108.08218	1.2
108.08925	4.7
109.01086	2.8
109.06512	14.2
109.07615	4.5
115.05442	7.0
117.03330	0.7
117.07007	6.8
118.06557	0.9
119.03524	1.5
119.06065	5.0
119.08575	22.2
120.05699	1.5
120.09382	7.0
126.12772	0.8
133.02780	0.8
133.10135	1.9
135.04422	7.3
135.05463	1.4
135.08052	40.6
135.11673	18.3
136.02158	25.0
136.05081	1.3
136.06189	5.7
136.07512	2.0
136.08493	5.1
136.12067	0.9
137.09624	0.9
153.88097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02352	1.2
53.03941	6.4
55.01870	5.1
55.05505	9.3
55.51880	1.1
62.16080	0.9
65.03934	5.5
67.05508	5.1
68.05028	1.3
69.03417	2.2
69.07078	2.4
71.14923	2.5
72.87070	0.9
77.03920	1.7
79.05488	40.9
80.05825	1.5
81.07047	3.9
82.75898	1.0
91.05477	100.0
92.05793	2.4
92.06287	2.5
93.07039	45.7
95.04961	16.0
95.06014	1.2
96.06853	1.2
103.05463	1.8
104.06242	1.8
105.04521	1.5
105.07024	39.6
107.04949	4.3
107.08588	89.6
108.08925	4.2
109.01072	1.4
109.06511	17.0
109.07626	1.8
110.06854	1.2
115.05441	9.7
117.07021	8.8
119.06049	4.6
119.08569	18.0
119.09361	1.5
120.09402	4.8
121.09703	1.1
133.10138	1.5
135.04407	2.3
135.08052	25.4
135.11685	20.0
136.02194	7.2
136.06184	3.2
136.07501	1.4
136.08592	1.9
136.12083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03947	11.1
54.03461	1.2
55.01877	7.4
55.05499	5.0
59.06118	1.8
59.40878	1.1
60.04525	1.6
63.02367	5.4
65.03927	3.5
67.05490	5.5
68.05021	2.5
69.07072	2.0
70.92795	3.6
75.05607	3.0
76.04012	1.3
77.03942	1.3
79.05495	64.1
80.05012	2.2
81.04548	1.5
81.07059	3.5
87.05591	5.5
89.03920	100.0
90.04243	2.8
91.05479	46.8
93.05753	1.5
93.07044	24.1
94.06554	2.3
95.04971	25.2
95.06097	1.9
95.08585	1.3
96.06879	4.3
105.04526	4.3
105.07034	14.7
107.04958	39.9
107.06083	1.7
107.08591	46.7
108.08113	2.9
109.01094	3.3
109.06515	6.0
109.07647	5.4
115.05454	6.5
117.03382	26.7
117.07023	5.4
118.06506	1.8
119.06060	4.3
119.08583	10.6
120.09393	1.5
133.02802	1.3
135.04422	75.8
135.06554	2.5
135.08067	24.9
135.11642	9.1
136.02165	31.3
136.04935	2.1
136.06187	11.4
136.07561	3.3
136.08656	4.3
137.04613	1.5
149.74689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02357	1.0
53.03940	8.9
55.01862	3.1
55.05512	12.5
56.49043	0.8
57.91465	1.0
65.03928	3.9
65.39106	0.8
67.05502	43.0
69.03401	1.0
69.07066	9.2
77.03912	1.0
79.05491	81.5
80.05026	1.4
80.05814	1.1
80.40392	0.8
81.03387	1.7
81.07056	36.0
89.03901	0.9
91.05475	37.0
92.05750	1.3
93.07040	100.0
94.07368	3.1
95.04970	17.8
105.04502	4.1
105.07016	9.9
107.04963	5.6
107.08591	53.7
108.08105	1.3
108.08884	1.7
109.01125	4.7
109.06512	3.1
112.03960	1.0
115.05439	1.6
117.07015	1.8
119.08559	2.0
133.10129	1.1
135.04459	4.9
135.05424	1.6
135.06514	1.2
135.08046	10.5
135.11682	41.1
136.02158	46.1
136.03810	2.0
136.05219	1.3
136.06171	9.6
136.07146	1.2
136.07597	1.5
136.12051	2.0
137.04503	0.9
144.06668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01596	1.7
51.02374	5.1
53.03943	34.9
54.03470	0.9
54.04252	0.9
55.01864	8.4
55.05507	2.1
57.07087	0.7
57.95275	0.6
63.02348	0.8
65.03935	17.2
67.01852	1.5
67.05495	5.9
69.03432	1.7
69.07066	1.2
71.57485	1.2
71.57870	1.0
77.03929	6.9
79.01849	0.9
79.05489	100.0
80.05013	1.5
80.05824	2.0
81.03413	5.1
81.07057	3.6
89.03918	7.7
91.05476	42.6
93.05781	1.2
93.07036	18.1
94.06530	0.8
95.04961	92.7
96.05319	2.0
105.04507	16.2
105.07015	8.8
107.04949	32.1
107.08585	21.1
108.05284	1.1
109.01106	3.1
109.06496	3.4
115.05445	3.7
117.03394	3.5
117.07021	2.7
118.06538	1.9
119.03554	0.9
119.06057	1.2
119.08601	2.1
120.09384	1.1
121.60896	0.7
135.04408	44.6
135.08049	9.7
135.11687	6.5
135.53508	0.7
136.02153	33.4
136.03804	1.4
136.04863	1.2
136.06195	5.9
136.07520	1.8
136.42278	0.8
137.04578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01563	0.9
51.02388	1.1
53.03749	0.8
53.03944	9.3
55.01868	5.3
55.05497	3.1
60.04497	0.9
63.02362	3.2
65.03944	3.6
67.05505	4.1
68.05016	2.8
69.07036	1.0
70.93214	2.0
75.05604	1.4
77.03940	1.2
79.05489	71.3
80.04987	2.2
80.05802	1.7
81.03419	1.5
81.07047	2.6
82.06539	0.7
87.05573	2.9
87.88898	0.7
89.03912	46.3
89.06050	1.3
91.05482	41.3
92.05795	0.8
93.04483	0.7
93.05767	1.2
93.07040	21.8
93.07630	1.1
94.04045	1.6
94.06554	1.1
95.04967	23.7
95.06075	2.2
95.07320	1.2
96.06841	4.1
105.03387	1.0
105.04481	4.3
105.07021	13.5
106.07303	1.1
107.04951	54.9
107.08589	30.5
108.04488	1.2
108.05238	1.1
108.08109	1.7
109.01096	3.0
109.06511	6.2
109.07626	4.1
115.05451	4.6
117.03368	10.0
117.07009	4.0
118.03668	1.0
118.06560	0.8
119.03542	2.9
119.04991	0.8
119.06065	2.6
119.08580	6.5
120.05724	0.7
120.09370	1.7
124.05220	0.9
133.02809	5.3
135.04411	100.0
135.08044	17.6
135.09047	1.0
135.11697	7.1
136.01105	1.4
136.02159	30.1
136.03807	1.5
136.04797	3.2
136.06187	20.6
136.07524	2.3
136.08649	3.2
137.04605	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.73480	0.7
50.87286	0.8
53.03933	2.0
55.05508	6.4
56.96541	0.7
65.03923	1.9
67.05495	2.5
71.58328	1.2
78.04670	1.0
79.05486	11.7
89.26803	0.9
91.05476	62.1
92.05803	3.4
93.07022	2.9
95.04952	2.9
103.05444	6.5
104.06248	2.7
105.03409	0.9
105.07024	100.0
106.06680	1.1
106.07329	4.5
112.89042	0.7
115.05435	3.5
117.07002	4.7
118.07777	4.7
131.08553	5.9
133.06479	4.2
133.07442	1.3
133.10124	30.5
134.05946	1.3
134.10472	2.0
153.86081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.0
51.02365	4.5
53.03717	1.6
53.03947	31.6
55.01871	13.2
55.05501	5.4
56.96544	2.2
61.77971	1.5
65.03938	19.5
67.05499	15.7
69.03088	2.6
69.03432	35.7
69.03769	1.2
69.07052	1.6
69.57001	10.5
77.03928	5.2
79.05491	100.0
80.05015	3.7
80.05825	3.5
81.03395	5.3
81.07059	7.4
89.03917	12.2
91.05479	64.2
91.79646	1.3
92.06264	4.5
93.06479	2.4
93.07041	35.0
94.04179	1.7
95.04966	75.7
96.05319	1.7
97.41351	1.5
98.20800	3.6
104.36137	1.6
105.04509	15.1
105.07026	10.6
107.04954	46.9
107.08591	32.9
108.04478	2.1
108.08124	1.9
109.01093	8.6
109.06516	4.4
112.03972	1.9
115.05440	9.5
117.03365	2.7
117.07001	5.7
118.06513	2.8
119.03539	2.2
119.08557	3.0
120.05706	5.0
120.09352	2.0
135.04430	36.9
135.05463	2.4
135.06566	3.1
135.08054	27.4
135.11667	12.1
136.02159	71.8
136.06174	18.7
136.07497	3.3
136.08521	1.9
137.04561	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
52.59588	0.3
53.03936	2.5
55.01877	0.4
55.05511	3.9
65.03932	1.6
67.05497	0.9
70.05534	1.2
70.05938	0.7
77.03938	0.8
79.05489	15.2
91.05476	36.9
92.05801	1.1
92.06291	0.7
93.07038	7.6
95.04978	4.4
98.21441	0.4
103.05473	7.9
105.07027	92.0
106.07350	3.9
107.08592	1.6
115.05447	10.9
116.06310	1.9
116.90759	0.4
117.07018	15.9
118.07810	13.5
119.08149	0.8
129.07028	1.2
131.08566	10.7
132.08879	0.5
133.06552	2.5
133.10124	100.0
134.10458	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.39003	0.8
53.03941	2.6
55.05512	4.5
56.08507	0.8
65.03937	1.2
67.05508	1.0
69.37464	2.0
69.37865	8.4
77.50067	0.8
79.05489	11.5
91.05479	33.0
92.05804	1.8
93.07047	7.5
95.04958	3.6
103.05464	7.4
105.07029	81.2
106.07355	3.5
107.08567	1.7
115.05453	12.0
116.06208	2.2
117.07018	15.2
118.07814	13.9
118.72715	0.9
126.46938	0.8
129.07002	0.9
131.08585	10.4
133.10130	100.0
134.10483	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35577	1.1
51.39210	1.1
52.75056	1.2
53.03928	2.6
55.05505	3.0
67.05482	1.6
67.34981	1.1
70.72404	3.8
79.05489	15.0
91.05482	38.9
92.05790	1.5
93.07053	9.0
95.04957	5.1
103.05462	9.1
105.03391	1.6
105.07030	95.7
106.07355	3.4
107.08578	3.3
115.05463	11.5
116.06236	3.1
117.07009	13.7
118.07793	13.7
129.06952	1.2
131.08563	11.9
133.06522	3.2
133.10127	100.0
134.10472	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95436	1.1
53.03930	1.5
55.05496	2.6
55.13676	1.1
65.03925	1.7
69.92100	3.2
69.92513	4.5
79.05488	11.5
88.45895	1.2
91.05482	35.6
93.07025	7.8
95.04981	4.5
103.05467	5.3
105.07027	90.0
106.07359	2.8
106.19535	1.4
107.08582	3.2
109.42493	1.2
114.09055	1.3
115.05442	12.0
116.06294	2.6
117.07024	16.6
118.07817	14.6
119.63699	1.1
129.07010	2.1
131.08578	12.7
133.10130	100.0
134.10435	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02373	0.5
53.03942	1.6
54.11833	0.4
54.59874	0.4
55.01869	1.3
55.05515	4.4
58.05341	1.5
65.03936	1.0
66.49914	0.5
67.05503	1.4
69.03418	0.8
71.00205	1.2
71.00537	0.6
75.05614	0.8
75.42213	0.6
77.03919	1.7
77.75306	0.5
79.05489	11.6
86.74612	0.6
91.05479	33.0
92.05827	1.4
93.07034	6.4
95.04966	4.2
102.37573	0.5
103.05472	6.6
105.03391	0.9
105.07029	100.0
106.06636	0.8
106.07346	4.4
107.08611	1.0
115.05476	6.3
116.06239	1.7
117.07008	7.2
118.07822	6.8
129.07013	1.2
131.08566	8.3
132.08922	0.5
133.02843	1.0
133.06488	5.3
133.10129	46.3
134.06029	1.0
134.07114	1.4
134.10474	2.9
135.19725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62741	0.8
53.03933	2.5
55.05499	4.0
65.03938	1.8
67.05505	1.2
70.72279	2.2
77.03937	1.7
77.21330	1.0
79.05494	15.1
91.05480	35.1
93.07052	8.3
95.04962	4.5
103.05460	9.4
105.07029	100.0
106.07362	3.4
107.08607	2.1
115.05466	12.8
116.06233	3.0
117.07012	13.3
118.07805	11.2
131.08565	10.0
133.02864	1.5
133.06517	6.3
133.10127	89.3
134.10464	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.05501	3.9
65.03915	1.2
67.05511	1.6
69.33313	11.8
79.05492	13.9
83.42904	1.1
90.52895	1.2
91.05480	36.0
92.06316	1.6
93.07018	6.8
95.04965	5.8
101.73680	1.1
103.05451	9.0
103.61083	1.2
105.07025	77.2
106.07353	2.6
107.08614	2.1
115.05450	11.7
116.06225	3.3
117.07016	15.9
118.07793	13.2
121.20777	1.1
131.08554	12.9
133.06517	1.7
133.10123	100.0
134.10451	5.4
149.54388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01866	2.7
55.05494	2.8
56.05059	1.9
56.96564	71.5
57.03436	3.9
57.07058	1.1
57.15542	1.1
58.05332	1.4
58.99861	1.9
67.05503	1.9
68.04996	1.2
69.00832	1.3
69.03397	1.8
69.07059	1.4
71.56960	2.0
71.95261	8.2
72.04504	4.5
75.05608	3.4
77.00916	2.3
79.05476	3.6
81.03428	2.4
81.07073	2.2
84.08151	2.2
87.05568	1.7
88.51675	2.5
91.05478	3.4
93.07030	1.3
93.12552	1.3
95.01897	1.4
95.04951	4.2
98.01392	2.9
98.97583	28.7
100.02486	12.7
101.00877	5.6
101.02526	1.7
102.02203	1.6
103.00645	1.3
103.02424	1.9
105.03410	3.0
105.07040	9.2
115.05531	1.5
116.98618	49.4
116.99450	2.9
117.03902	1.3
117.98959	1.3
118.03510	16.5
119.01919	100.0
120.02006	12.2
120.03261	2.0
121.01674	7.0
127.03547	5.0
128.01950	4.7
131.01849	1.7
132.04199	1.4
132.05086	24.8
132.06569	1.9
133.05116	2.1
133.10185	1.9
134.99657	95.6
136.00018	3.1
136.04512	1.8
137.02957	78.5
138.03076	8.8
139.02724	5.3
140.00169	1.8
141.05080	1.9
142.03496	44.4
143.03662	5.9
144.03252	2.7
145.03548	2.7
145.04591	6.0
146.02942	2.3
147.48521	1.7
150.06125	25.0
151.06273	2.0
153.00713	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.16087	1.4
56.96555	3.6
69.07059	2.9
71.50829	2.7
74.06050	1.7
79.05499	1.6
84.08113	1.3
86.09704	100.0
87.10021	3.0
87.46944	1.2
105.07034	6.9
133.06421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.56392	0.6
56.96560	1.2
57.03442	0.8
58.59570	0.6
65.00549	0.6
65.03934	1.6
66.09883	0.6
70.70463	2.1
90.79081	0.7
91.05475	100.0
92.05812	2.8
95.04968	0.8
103.05467	11.0
104.05767	0.8
109.06544	0.8
113.07933	2.0
115.05450	7.6
116.06237	21.0
117.06570	0.6
125.50854	0.6
128.06218	1.7
129.06995	13.0
130.07329	0.8
131.04971	0.9
131.08556	59.1
132.08139	1.3
132.08900	3.2
132.09753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
57.03430	0.7
65.03914	0.8
65.93861	0.6
71.19080	1.4
80.35193	0.6
85.08479	0.7
91.05480	100.0
92.05818	3.5
95.04973	0.7
103.05459	7.2
104.05746	0.8
105.07043	1.4
109.06552	0.6
113.07916	0.8
115.05450	6.4
116.06250	21.5
117.06498	1.1
128.06224	2.5
129.07011	12.5
130.07365	0.6
131.04948	1.0
131.08565	57.7
132.06555	1.0
132.08043	1.3
132.08907	2.4
133.06479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
57.03428	1.2
64.82977	0.6
65.03939	1.6
69.03422	0.7
70.84360	1.7
85.08482	1.2
91.05477	100.0
92.05790	2.9
95.04955	0.9
103.05457	6.4
104.05811	0.9
105.07033	1.0
113.07940	1.1
115.05449	8.3
116.06241	21.7
117.06557	1.4
128.06241	1.3
129.07004	12.7
130.07359	0.6
131.04927	1.2
131.06898	1.6
131.08562	55.7
132.08025	0.8
132.08907	2.4
133.06485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54308	0.4
51.88010	0.5
52.46729	0.4
53.03941	0.9
56.05021	0.6
56.96578	2.3
56.96818	0.4
57.03442	1.5
65.03946	1.5
69.03426	1.3
70.03752	0.6
70.09062	2.3
72.04526	0.6
81.49655	0.5
85.04849	0.7
85.08495	1.6
86.09679	0.5
91.05486	100.0
92.05841	2.8
95.04935	0.8
98.21431	0.7
100.96613	0.5
101.00919	0.4
103.05470	7.6
104.04984	0.4
104.05804	0.4
113.07941	2.2
115.05469	6.0
116.06252	16.4
117.05822	0.5
117.06569	0.6
127.35593	0.5
127.63823	0.5
128.06227	1.5
129.07013	13.4
130.07402	0.8
131.04884	1.0
131.06924	1.8
131.08572	56.2
132.04430	0.5
132.06596	1.0
132.08923	3.7
133.06558	0.5
134.99683	0.5
140.17230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.35554	0.4
57.03418	0.5
58.15577	0.6
59.06128	0.5
65.03934	1.4
70.03812	0.6
70.12250	2.4
74.95414	0.5
82.96838	0.5
83.09348	0.4
85.04852	0.5
85.08487	1.0
91.05478	100.0
92.05801	3.5
103.05459	5.9
104.60555	0.5
105.07030	1.0
109.06561	0.7
113.07954	1.5
115.05457	7.6
116.06243	25.3
117.06566	1.4
121.80994	0.4
128.06200	1.8
129.07002	12.3
130.07370	0.7
131.04904	1.3
131.06911	1.7
131.08565	54.9
132.08112	0.8
132.08911	3.0
133.06512	0.8
145.21405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39134	0.5
53.03939	0.8
57.03445	1.0
65.03938	1.7
66.48009	0.5
69.03453	0.6
69.28877	6.6
84.08112	0.6
85.08496	0.9
88.99644	0.5
91.05476	100.0
92.05811	3.7
95.04966	0.9
96.53402	0.6
103.05468	6.6
105.07025	0.6
109.06511	0.6
112.40524	0.5
115.05454	7.3
116.06235	20.3
117.05796	0.9
117.06588	0.7
128.06232	2.3
129.07007	10.1
130.07335	0.9
131.08560	55.9
132.08052	1.3
132.08908	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
53.03944	1.4
55.02980	0.9
55.05499	1.6
56.05035	4.9
56.96561	2.6
57.03430	0.3
57.07068	0.6
58.06588	0.3
59.06116	0.9
60.04526	0.6
65.68079	0.3
67.05502	1.2
68.05020	0.6
69.03426	17.6
69.07068	2.0
70.03752	0.5
70.06589	1.9
71.04984	0.9
71.15411	0.9
71.93008	0.6
72.04507	0.6
72.08150	4.9
73.04040	0.4
77.03941	0.5
81.03397	0.6
82.06582	1.4
83.02451	0.4
84.04504	10.1
84.08141	44.2
85.02950	0.3
85.04017	0.4
85.07659	0.5
85.08475	0.8
86.06046	0.4
90.04280	0.5
91.05482	1.3
94.04044	0.3
95.04967	3.9
98.04806	0.6
98.07183	0.6
98.97548	0.6
101.14040	0.3
103.05465	18.2
104.05796	0.5
105.04511	0.9
112.05087	0.9
112.07600	33.7
113.05878	0.4
113.07142	0.7
113.07870	0.6
125.96101	0.4
128.04974	3.0
129.06993	0.4
130.06523	100.0
130.08575	8.0
131.04947	0.6
131.05980	0.6
131.06866	3.4
131.08553	1.2
134.99638	0.4
143.39540	0.4
146.06000	1.5
148.97664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	D-Pipecolic acid
Peak:m/z	Relative Intensity
55.05502	0.3
56.05033	4.7
56.96557	0.3
67.05505	0.4
68.97250	0.2
69.03436	1.3
70.06590	2.5
70.70934	0.2
71.22189	0.4
80.19034	0.2
82.06529	0.3
84.04504	5.9
84.08141	100.0
84.35400	0.2
85.07919	0.2
85.08469	3.1
87.49538	0.2
105.52541	0.2
112.07602	2.4
120.20791	0.2
130.05013	0.4
130.06529	0.6
130.08633	6.9
130.09608	0.3
131.08978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01868	4.2
55.05507	22.5
56.05021	9.6
57.03423	3.3
58.06580	2.4
59.06122	20.2
65.03925	3.1
67.05497	5.0
68.05025	32.8
68.99785	16.8
69.03426	100.0
69.07049	5.6
69.32678	11.7
69.33099	5.6
70.06580	4.7
71.01349	2.0
79.05484	18.8
80.05015	5.1
81.04526	2.5
81.05352	1.9
81.07059	14.6
82.06577	6.0
83.04978	14.7
83.06099	5.6
83.08616	3.7
84.04459	2.4
84.06435	1.7
84.08133	1.8
85.07661	5.0
86.08449	3.4
91.05479	15.8
95.04978	4.3
96.06886	2.0
97.02901	14.3
97.06536	7.5
97.07645	2.9
98.06076	2.3
105.07017	4.7
107.04941	2.4
107.06023	1.5
107.08587	17.1
108.04485	1.8
108.08163	2.0
109.06484	5.6
109.07630	7.5
120.02030	2.8
125.02334	4.1
125.04340	2.3
125.05979	5.4
125.07117	10.0
125.07904	1.3
125.09642	30.3
126.05492	3.3
126.09152	4.5
126.10256	13.5
138.03015	1.6
138.73634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03939	3.5
55.01863	5.1
55.05271	1.4
55.05510	20.8
56.05036	7.1
57.03417	2.3
58.06597	2.0
59.06125	23.1
59.82281	1.1
65.03921	3.5
66.93681	1.6
67.05495	3.9
68.04668	2.4
68.05025	34.9
68.99788	14.9
69.03429	100.0
69.07055	4.3
70.06589	3.9
71.01313	2.0
71.49533	2.4
79.05067	1.5
79.05492	19.4
80.05015	3.5
81.04556	2.9
81.07059	12.8
82.06564	3.6
83.04982	11.1
83.06091	4.4
83.08620	3.0
84.04507	1.6
84.08125	1.5
85.07676	6.2
86.08437	5.4
88.93544	1.2
91.05482	13.5
95.04961	3.1
95.08603	1.6
96.06891	2.5
97.02901	9.3
97.04772	1.7
97.06548	7.5
97.07643	4.7
97.10159	1.4
98.06039	3.2
105.07025	5.7
107.04944	2.0
107.08581	20.5
108.04489	2.6
108.08118	1.5
109.06505	4.6
109.07624	7.8
110.03651	1.6
110.08430	1.2
119.26354	1.2
120.01964	2.5
120.03303	1.9
121.01629	1.6
125.02348	3.4
125.04240	2.8
125.06124	6.5
125.07005	6.5
125.09651	28.7
125.10587	2.3
126.05509	4.1
126.09147	4.1
126.10255	13.8
138.03094	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03930	5.5
55.01870	16.2
55.05511	100.0
56.05013	2.1
56.05828	2.4
57.03418	4.2
59.04983	1.9
65.03930	4.4
67.05505	15.0
69.03426	12.2
69.07063	17.2
70.06592	2.2
70.18955	5.8
79.05073	3.1
79.05494	40.6
80.04999	6.5
81.07052	51.5
83.04986	22.9
83.08595	5.3
84.04485	3.0
84.64914	1.6
91.05484	11.5
95.04950	2.4
95.08582	3.3
96.06854	2.3
97.02888	19.2
97.06516	5.9
97.10166	13.8
102.02224	4.4
105.07010	3.4
107.04997	1.8
107.08601	16.7
108.04449	3.9
109.06510	3.8
114.47059	1.9
115.42913	1.8
120.02003	3.8
120.03259	6.0
121.01656	2.9
121.85501	2.1
125.02391	8.8
125.04332	4.0
125.05989	6.5
125.07085	5.3
125.09638	39.4
126.05495	6.5
138.03043	1.8
139.02701	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
51.03349	2.3
53.03932	7.6
55.01866	21.4
55.05510	100.0
56.05040	3.3
56.05816	2.2
56.96569	2.4
57.03418	4.8
59.31000	2.6
65.03931	8.4
67.05505	17.1
68.09334	2.2
69.03425	15.8
69.07071	21.7
71.01346	4.6
71.58326	3.4
79.05489	47.4
79.05912	4.4
80.05011	4.4
81.07050	68.3
82.07367	3.2
83.04982	33.2
83.08602	5.7
84.04502	3.2
86.36549	2.3
91.05473	12.5
95.04987	5.3
95.08610	6.9
97.02879	32.4
97.06541	8.0
97.10179	16.9
98.06046	2.6
102.02235	8.8
104.98569	2.6
105.07042	4.9
107.04984	2.9
107.08572	17.0
108.04469	5.8
109.02828	2.4
109.06573	3.8
111.16664	2.1
118.27718	2.2
120.02007	9.6
120.03285	10.5
121.01694	7.0
125.02351	8.9
125.04235	5.7
125.05994	14.4
125.07135	7.5
125.09628	54.7
125.40935	2.3
126.05534	15.5
126.06446	2.5
129.23218	2.1
138.03017	12.0
139.02699	6.6
143.03604	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03932	6.8
55.01867	16.8
55.05509	100.0
56.05024	2.5
56.05837	3.9
56.96550	4.5
57.03428	4.1
65.03920	5.9
65.63428	1.6
67.05503	16.7
68.05013	3.2
69.03423	13.2
69.07066	19.6
70.06570	1.5
70.10365	7.3
71.01359	3.4
79.05491	46.8
80.05006	5.0
81.07053	50.0
82.06544	2.2
83.04985	25.1
83.06097	1.9
83.08614	6.1
84.04491	4.6
91.05482	13.5
95.04953	4.6
95.08611	4.5
96.06892	2.3
97.02888	26.8
97.04802	4.6
97.06512	4.9
97.10181	14.2
98.06072	2.1
102.02217	7.3
104.11033	1.5
105.07032	4.9
107.04918	2.6
107.08585	18.4
108.04467	5.5
109.06510	4.8
111.94790	1.7
120.01995	10.6
120.03287	9.5
121.01641	5.0
125.02382	9.3
125.03381	1.8
125.04256	7.7
125.05989	12.4
125.07068	5.2
125.08199	2.8
125.09630	39.4
126.05518	10.7
126.09127	3.8
138.03033	12.4
139.02696	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03946	3.3
54.03465	3.6
54.04288	0.4
55.01870	0.8
55.05508	2.2
56.05034	11.8
56.96550	1.7
58.06589	1.6
58.99889	0.3
65.03937	2.1
66.03455	1.8
67.02998	0.4
67.04243	1.4
67.05495	1.2
68.01364	0.3
68.05028	8.4
68.05839	1.1
69.03426	1.2
69.04550	3.2
69.07083	1.8
70.06585	3.7
70.17799	1.5
71.01350	1.0
77.00916	0.4
78.03458	1.4
78.04247	0.4
78.04707	0.9
79.01864	1.0
79.05492	18.1
80.05014	47.4
80.05804	1.2
81.03422	0.7
81.04543	8.6
81.05360	1.9
81.05793	19.7
81.07050	5.6
82.02938	0.7
82.05322	2.3
82.06145	0.6
82.06564	2.3
82.07381	0.6
83.03738	0.4
83.04987	1.2
83.06100	15.2
84.04493	0.9
84.06892	0.9
91.05441	0.3
94.02951	0.5
94.06561	2.8
95.04964	3.9
95.06090	1.5
96.04490	34.8
96.05271	2.7
96.06886	1.4
96.08121	14.0
97.02888	7.9
97.03925	0.4
97.04816	0.8
97.06558	1.2
97.07649	10.5
97.08321	0.5
98.06077	0.6
100.02486	0.4
101.00890	2.0
105.04498	0.5
106.03001	0.4
106.03732	0.6
106.04797	0.3
106.06544	1.6
107.04257	0.4
107.04934	1.2
107.06078	13.1
107.08622	0.5
108.04489	0.5
108.06929	0.6
109.05276	2.9
110.03669	0.8
112.03964	7.6
112.96339	0.3
118.03505	0.7
119.01917	40.0
120.02020	2.5
123.04414	0.5
124.03951	100.0
124.04688	4.1
124.07595	20.0
124.08704	18.6
124.09386	0.6
124.11180	0.5
125.02363	2.8
125.04293	4.4
125.06015	2.8
125.07114	6.1
125.07942	0.7
125.09690	0.4
125.10734	0.3
127.14768	0.3
137.02948	33.2
138.03033	2.6
140.03416	4.6
142.03477	3.3
143.06511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.1
58.99859	0.3
60.00655	0.2
69.06138	0.2
71.55871	0.3
77.68024	0.1
82.99850	0.7
99.64564	0.2
100.02483	0.7
101.00874	12.1
101.02553	1.0
102.00954	0.7
102.02238	0.5
118.03518	0.7
119.01917	100.0
120.01988	4.7
120.03268	0.4
121.02364	0.5
124.02420	0.3
137.02950	53.9
138.03050	2.6
139.03416	0.5
142.03491	5.2
143.03625	0.3
143.41382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55296	0.3
51.85775	0.2
53.03938	1.0
54.03446	0.4
55.01863	0.5
55.05510	0.5
56.05030	0.9
56.96562	5.5
57.03432	0.4
58.06590	2.3
58.99858	1.1
59.07374	1.0
60.00645	0.4
60.08138	0.3
60.95849	0.4
65.03925	0.5
67.05489	1.5
68.05023	2.2
68.05824	0.4
69.03428	0.9
69.07072	0.4
70.70670	0.6
71.01341	0.4
71.95235	0.2
77.00903	2.0
78.03443	0.9
78.06322	1.3
79.05479	1.2
80.05009	20.7
81.03384	0.4
81.04535	1.1
81.05338	1.2
81.05778	0.5
81.07047	0.7
82.06574	0.8
82.07365	0.3
82.99825	0.6
83.04984	0.3
83.06096	1.0
85.53561	0.3
89.00890	0.4
91.05440	0.4
94.06539	0.4
95.01948	1.4
95.04952	0.7
95.06079	0.3
96.04484	20.6
96.05262	1.3
96.08137	1.9
97.02867	2.6
97.04749	0.5
97.05280	0.8
97.06506	0.4
97.07655	0.6
99.09197	0.4
100.02478	1.2
101.00864	6.8
101.02547	2.3
102.00954	0.4
102.02231	1.5
107.04913	0.3
107.06074	1.5
108.81496	0.3
109.05294	0.4
110.04730	0.6
112.03953	3.7
116.98608	0.4
117.10257	1.9
118.03523	1.9
119.01910	100.0
119.03643	3.9
120.01990	6.0
120.03250	1.8
121.02341	0.7
122.24115	0.3
124.03943	71.9
124.07574	2.1
124.08677	3.1
124.11214	1.0
125.02370	0.7
125.04316	1.3
125.06092	0.3
125.07106	1.1
133.03433	0.6
137.02942	78.5
138.03043	4.5
139.03386	0.5
140.03400	2.2
142.03484	8.0
143.03647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
53.55456	0.1
54.03468	0.6
55.01870	0.2
55.05516	0.3
56.05034	2.1
56.96561	4.0
57.03435	0.2
58.06596	0.7
58.99868	0.4
59.07378	0.4
65.03931	0.2
66.03452	0.4
67.04237	0.2
67.05505	0.6
68.05029	1.1
68.05818	0.2
69.03413	0.3
69.04543	0.5
69.95235	0.3
69.95628	0.4
70.03008	0.1
70.06590	0.5
71.01353	0.3
77.00889	0.7
78.03453	0.2
78.04717	0.6
78.06329	0.5
79.01839	0.4
79.05489	0.8
80.05016	3.1
81.04539	1.7
81.05341	0.3
81.05798	0.3
81.07059	0.3
82.05335	0.4
82.06565	0.2
82.07361	0.2
82.92875	0.4
82.99804	0.8
83.04970	0.2
83.06102	2.9
85.17603	0.1
94.06590	0.2
95.01951	0.4
95.04958	0.5
95.06080	0.3
96.04487	3.3
96.05288	0.4
96.06897	0.2
96.08128	0.5
97.02898	1.4
97.05266	0.4
97.07648	1.8
98.97603	0.2
100.02455	0.8
101.00861	6.8
101.02599	0.7
102.00985	0.4
102.02229	0.6
106.06538	0.2
107.04946	0.3
107.06075	2.6
109.05318	0.1
110.03706	0.2
112.03954	1.7
116.98596	0.3
117.10246	0.4
118.03513	1.3
119.01913	100.0
120.01996	5.9
120.03276	0.3
121.02345	0.4
124.02469	0.3
124.03951	6.5
124.04887	0.6
124.05909	0.5
124.07596	1.2
124.08697	4.1
124.11205	0.4
125.02377	0.6
125.04272	0.2
125.06114	0.3
125.07087	0.8
125.07874	0.2
128.75883	0.1
133.03438	0.3
134.99658	0.2
137.02946	78.3
137.98349	0.2
138.03033	4.4
138.77338	0.1
139.03362	0.5
140.03453	0.7
142.03488	6.9
143.03667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.7
51.02370	1.1
53.03941	5.5
54.03474	2.5
54.59575	0.4
55.01859	1.2
55.05507	9.1
56.05026	3.5
57.07067	5.0
65.03936	3.2
66.03451	0.8
66.04710	0.6
67.05501	32.1
68.05019	4.4
68.05825	1.1
69.03422	0.7
69.04546	1.2
69.07068	2.6
69.63089	0.5
70.06586	1.3
71.02997	1.0
77.03926	1.1
78.03443	0.7
79.05487	23.4
80.05013	14.1
80.05794	1.3
80.06266	1.3
81.03417	1.6
81.04543	4.2
81.07049	100.0
82.05303	1.0
82.06565	1.4
82.07360	2.4
83.06097	6.1
83.08614	0.8
91.05466	1.2
93.07041	5.7
94.06580	0.7
94.07844	0.7
95.04961	21.4
95.06082	1.6
95.08600	24.6
96.04493	8.2
96.05257	1.0
96.06397	0.5
96.08121	0.9
96.08932	0.8
97.07639	4.0
100.02485	2.2
103.05486	0.4
105.03399	1.0
105.04505	1.0
105.07024	4.5
106.02907	0.4
106.06615	0.5
106.07383	1.3
107.04971	2.4
107.06068	5.3
108.05734	10.1
108.06927	0.5
108.07691	1.4
108.09380	1.4
112.03971	3.4
118.03512	2.2
119.01918	3.3
121.06544	1.3
121.10148	1.5
122.20502	0.4
123.04455	6.4
123.05569	15.0
123.08084	31.0
123.09146	1.8
123.10020	2.3
123.11694	15.5
124.03951	10.2
124.04832	0.9
124.07633	1.0
124.08706	9.5
124.12049	1.0
137.02957	3.0
140.03465	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
51.52022	0.4
53.03940	4.7
54.03474	2.0
55.01863	1.7
55.05264	0.7
55.05509	9.3
56.05029	3.6
57.07074	4.2
57.85382	0.4
65.03947	2.7
67.05502	34.4
68.05043	2.6
68.05824	0.6
68.99799	0.4
69.03417	1.2
69.04543	0.4
69.07064	2.9
70.06567	1.1
71.04728	1.0
74.73618	0.4
77.03924	0.7
78.03458	0.6
79.05490	24.2
80.05016	13.1
80.05795	0.9
80.06254	0.9
81.03422	1.4
81.04549	3.6
81.07054	100.0
82.04883	0.6
82.05336	0.7
82.06588	0.5
82.07378	2.0
83.04983	0.6
83.05669	0.7
83.06107	3.2
86.99905	0.4
91.05480	2.0
93.07040	6.2
94.07842	1.0
95.04967	18.7
95.06077	1.0
95.08603	28.8
95.20093	0.4
96.04490	6.7
96.05276	0.9
96.08161	0.8
96.08953	1.3
97.07647	3.0
100.02486	3.9
103.05475	1.0
104.05821	0.6
105.03386	1.0
105.04525	1.2
105.07014	4.1
106.02908	0.5
106.07356	2.4
107.04980	1.9
107.06062	3.4
108.05733	9.5
108.07663	3.4
108.09394	1.0
112.03944	2.9
118.03517	3.6
119.01924	5.8
121.06548	0.9
121.10143	0.9
123.04458	5.1
123.05567	12.4
123.08086	28.1
123.09117	1.2
123.09918	2.5
123.11693	15.4
123.12588	0.8
124.03944	10.7
124.07584	1.2
124.08678	5.9
124.12094	0.7
134.53011	0.5
137.02968	4.6
140.03452	1.1
142.03470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.6
51.16106	0.4
53.00292	0.6
53.03942	4.3
54.03453	1.5
55.01853	1.3
55.05264	0.6
55.05507	8.1
56.05041	2.9
56.96573	0.4
57.07069	4.3
57.19315	0.4
65.03932	2.3
66.03441	0.5
66.04703	0.7
67.05499	30.2
68.05019	1.8
68.05824	1.1
69.03411	1.4
69.07061	3.3
69.35715	0.9
69.36125	3.1
70.06585	1.2
77.03915	1.6
78.03442	0.9
79.05487	22.3
80.05011	15.6
80.05814	1.2
80.06268	0.8
81.03421	0.9
81.04562	2.5
81.07048	100.0
82.01441	0.6
82.05314	0.8
82.07386	2.8
83.04980	0.5
83.06099	2.4
91.05482	1.1
93.07037	5.5
94.07829	1.0
95.04961	22.9
95.06092	0.8
95.08596	20.2
96.04484	12.3
96.05305	0.8
96.08952	0.9
97.07644	3.3
100.02465	8.4
100.03053	0.7
101.02576	0.6
103.05457	0.6
105.03379	1.1
105.04512	1.6
105.07018	3.6
106.02935	0.6
106.07350	1.1
107.04950	1.5
107.06089	3.0
108.05779	5.2
108.07686	1.2
108.09385	0.8
109.06074	0.7
112.03956	4.2
118.03516	8.9
119.01914	5.2
119.03588	0.6
121.06490	0.5
121.10181	1.4
122.06892	0.6
123.04462	9.2
123.05579	17.9
123.08086	33.4
123.09889	2.0
123.11691	14.4
123.12571	0.8
124.03946	14.7
124.05904	0.5
124.07607	0.8
124.08693	5.4
124.12079	0.5
137.02953	4.0
140.03448	1.7
141.05098	0.6
142.03517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41037	0.3
53.03949	2.3
55.01870	0.7
55.05506	6.4
56.05033	0.3
56.96578	0.4
57.07077	3.3
65.03918	1.7
65.38251	0.3
67.05502	18.8
68.05032	0.6
68.05840	0.6
69.07060	2.5
71.01623	1.0
73.92732	0.3
77.03908	0.4
78.03454	0.4
79.05487	21.3
79.49142	0.3
80.05011	6.7
80.05798	0.8
81.03415	0.6
81.07049	100.0
82.07372	2.9
83.06098	0.5
91.05453	0.6
93.07037	2.3
94.07831	0.6
95.04958	7.2
95.08595	13.2
96.04487	5.6
96.08944	0.3
96.35710	0.3
97.07618	0.4
100.02486	5.1
105.04519	0.4
105.07018	1.2
108.05738	0.7
108.07665	0.6
108.09375	0.7
112.03935	2.0
118.03500	4.7
119.01909	1.9
119.03695	0.4
121.10134	0.9
123.04423	1.6
123.05540	7.1
123.06478	0.4
123.08103	4.2
123.11697	10.9
124.03941	7.8
124.07654	0.6
124.08636	0.8
124.12001	0.5
137.02930	1.8
140.03439	1.0
141.04968	0.5
142.03459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.0
50.30047	0.8
51.02361	1.5
51.45205	0.7
52.15240	0.8
53.03939	7.8
54.03468	4.3
55.01865	2.0
55.05508	8.3
56.05033	5.4
57.07076	5.4
58.06590	0.7
59.99669	0.8
62.63633	0.8
65.03929	3.1
66.03468	1.1
67.05502	29.3
68.05034	5.2
68.05828	1.1
69.04547	1.1
69.07057	2.4
69.65882	5.0
70.06594	1.6
77.03930	2.4
78.03444	1.0
79.05492	24.8
80.05015	21.7
80.05811	2.3
80.06246	0.8
81.03421	1.5
81.04547	6.0
81.07053	100.0
82.06589	0.8
82.07386	2.3
83.05647	1.2
83.06102	7.4
91.05448	1.2
93.07047	4.2
94.07830	0.9
95.04966	54.0
95.06091	2.0
95.08600	21.6
95.09168	1.4
96.04484	10.7
96.05284	1.4
96.08154	1.3
96.08930	1.5
97.07639	5.6
98.20842	1.0
100.02494	5.0
105.03385	1.6
105.04526	3.3
105.07027	3.2
106.02940	0.9
106.07357	2.2
107.04951	1.5
107.06090	6.4
108.05730	4.8
108.07665	2.7
108.09396	0.7
112.03983	3.9
118.03526	5.5
119.01908	6.9
123.04438	15.7
123.05560	20.6
123.06568	1.5
123.07355	1.0
123.08133	13.1
123.09193	1.8
123.10033	1.9
123.11703	14.6
124.03953	14.4
124.04854	1.5
124.05896	1.0
124.07706	1.4
124.08697	11.5
124.12053	1.3
137.02943	5.8
140.03436	1.6
142.03564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02384	1.2
53.03946	7.0
54.03457	1.6
54.16333	0.5
55.01863	1.7
55.05508	12.1
56.05024	2.2
57.07079	5.4
65.03941	3.7
66.04715	0.9
67.05503	54.7
68.05025	2.0
68.05830	1.2
69.03432	1.7
69.07059	3.2
70.06596	1.4
71.57231	1.2
77.03945	1.6
78.03452	1.1
79.05490	29.2
80.05013	19.9
80.05810	1.6
80.06275	2.3
81.03422	1.6
81.04545	3.7
81.07053	100.0
82.01437	1.0
82.05300	0.9
82.07391	2.9
83.06094	2.7
91.05486	4.6
93.07043	11.5
95.04967	29.0
95.08602	46.3
96.04491	14.8
96.08942	1.8
97.07657	3.4
100.02480	12.3
101.02541	1.1
103.05466	2.1
105.03403	0.9
105.04536	1.8
105.07026	10.8
106.02916	1.5
106.07364	2.0
107.04948	6.7
107.06056	3.3
108.05739	30.4
108.07675	1.9
108.09383	1.6
112.03968	6.1
118.03519	12.2
119.01900	6.9
119.03625	1.2
121.06528	5.4
121.10207	1.3
122.06933	0.6
123.04456	7.7
123.05560	26.7
123.08077	70.4
123.09995	2.6
123.11700	17.3
124.03951	23.1
124.04676	0.7
124.05887	1.3
124.07561	1.2
124.08601	6.1
137.02946	5.1
140.03435	2.3
142.03432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03942	9.2
54.03462	3.3
54.09619	1.1
55.01875	2.1
55.05510	22.5
56.05031	4.8
57.03436	1.3
57.07073	3.9
65.03938	5.5
67.05503	81.8
68.05030	3.9
68.05834	1.7
69.03435	2.7
69.04546	1.2
69.07064	3.1
71.15699	3.1
77.03951	1.3
79.05489	26.6
80.05016	17.1
80.05804	1.4
80.06265	2.4
81.03429	1.4
81.04549	4.4
81.07054	100.0
82.04905	1.1
82.07391	2.9
83.06104	6.6
91.05483	3.8
93.07047	15.5
95.04967	35.8
95.06015	1.4
95.08603	62.3
96.04484	11.3
96.08933	1.6
97.07661	4.9
100.02493	4.9
103.05492	2.3
105.04568	2.7
105.07032	8.7
106.07359	2.7
107.04962	3.5
107.06084	5.1
108.05738	20.8
108.07655	5.3
108.09391	1.2
112.03938	5.6
118.03524	3.4
119.01900	7.4
121.02349	1.0
121.06537	2.0
121.10152	1.1
123.03697	1.3
123.04484	6.1
123.05573	21.6
123.08081	62.2
123.09119	2.5
123.10028	3.7
123.11688	14.9
124.03941	13.6
124.08707	13.4
137.02945	6.0
140.03459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.98966	1.1
53.03707	1.6
53.03948	27.6
54.80996	1.2
55.01872	9.2
55.05509	28.7
57.03446	1.5
58.99873	1.5
65.03932	7.4
67.05505	100.0
68.05019	2.3
68.05836	2.4
69.03414	2.1
69.07069	2.4
70.44620	1.2
70.93677	1.9
70.94068	2.1
71.55512	1.0
78.03442	2.0
79.05061	2.2
79.05489	27.3
80.05016	38.9
80.06249	1.8
81.03414	39.6
81.07056	68.5
82.01440	2.5
82.03728	1.2
82.24176	1.1
88.92328	1.2
91.05464	8.1
93.07047	23.5
95.04968	52.6
95.08604	82.1
96.04489	30.6
96.05216	2.8
96.08062	1.2
96.08943	2.0
100.02480	39.0
101.00843	1.2
101.02570	3.8
103.05504	1.7
105.04514	3.8
105.07019	10.2
106.02909	1.3
106.07368	4.8
107.04925	2.0
108.05748	5.9
108.07667	5.0
112.03969	10.9
118.03519	53.0
119.01917	34.8
119.03606	4.2
123.04415	6.4
123.05544	45.4
123.08071	36.5
123.09083	1.6
123.09951	6.5
123.11700	4.5
124.03947	38.6
124.04829	2.4
124.05881	1.4
124.07558	1.9
124.08581	1.8
136.04527	1.1
137.02962	28.9
140.03412	4.3
141.05037	5.3
142.03502	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02381	1.9
53.03947	10.0
54.03468	2.2
55.01863	2.0
55.05510	13.1
56.05037	4.2
57.07067	3.6
65.03936	3.7
67.05504	54.6
68.05030	4.3
68.05824	1.8
69.03423	1.5
69.04572	1.0
69.07073	3.2
70.06570	1.1
71.58202	1.4
77.03931	2.0
78.03488	1.1
79.05491	29.5
80.05018	23.4
80.05807	1.6
80.06271	2.1
81.03416	1.6
81.04546	4.0
81.07057	100.0
82.06580	1.0
82.07387	2.3
83.06095	4.7
91.05495	3.0
93.07048	10.4
95.01324	0.9
95.04969	33.8
95.05566	1.8
95.08601	41.2
96.04492	14.4
96.08127	1.3
96.08946	1.0
97.07655	3.3
100.02483	7.8
103.05479	2.5
105.04518	2.1
105.07024	11.9
106.02909	0.9
106.07384	2.0
107.04959	5.8
107.06069	5.4
107.98019	0.8
108.05766	28.4
108.07685	2.8
108.09412	1.0
109.06136	1.0
112.03950	5.8
118.03517	8.5
119.01907	4.8
121.06501	3.5
121.10138	1.6
123.04472	9.6
123.05579	26.8
123.08090	64.1
123.10011	2.0
123.11697	15.0
124.03951	19.5
124.04849	1.5
124.07620	1.9
124.08707	8.3
137.02977	3.7
140.03435	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01594	1.1
51.02382	5.0
53.03947	14.5
54.03466	4.6
55.01868	9.2
55.05511	4.8
56.05033	5.6
56.96556	2.8
57.07058	0.6
58.06602	1.1
62.86242	0.5
65.03935	9.7
66.03482	0.7
67.02988	0.8
67.04252	1.2
67.05502	46.7
68.05025	10.2
68.05837	0.7
68.99787	6.2
69.03419	1.6
69.04531	0.9
69.07044	1.3
70.06593	2.0
71.01361	4.3
71.06557	1.6
77.03929	8.8
78.03453	1.9
79.05490	22.0
80.05013	48.6
81.03426	3.0
81.04538	6.9
81.05342	1.0
81.05798	10.9
81.07053	20.6
82.02943	1.0
82.04863	0.7
82.05315	1.8
82.06599	2.7
83.03696	1.1
83.05643	1.8
83.06103	7.0
91.05473	5.7
93.07040	2.6
94.06557	1.4
95.01343	0.9
95.04965	100.0
95.06074	5.6
95.08598	7.8
96.04489	27.3
96.05276	1.4
96.06430	1.4
96.08131	10.0
97.07642	3.8
100.02473	3.7
101.00864	1.4
103.05485	0.7
105.03390	10.5
105.04498	6.3
105.07002	1.3
106.02911	1.4
106.06561	2.1
107.06076	7.1
108.05733	4.5
108.06895	0.9
109.05266	1.8
112.03979	5.4
118.03523	7.7
119.01920	28.8
122.07143	0.6
123.04434	99.0
123.05541	44.9
123.08072	10.5
123.09164	3.5
123.09993	1.1
123.11700	2.3
124.03951	53.4
124.04738	3.0
124.05888	1.6
124.07596	11.9
124.08706	10.3
137.02954	23.9
140.03432	1.7
142.03542	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.61631	1.1
51.02374	1.0
53.03950	9.0
54.03468	3.0
55.01868	1.7
55.05510	11.0
56.05025	2.8
57.07080	4.9
57.07310	1.1
65.03932	3.9
67.05502	53.7
68.05035	3.5
68.05830	2.3
69.03447	1.5
69.07069	2.8
71.58406	1.2
71.58770	1.3
77.03937	1.7
78.03451	1.1
79.05490	28.0
80.05018	20.5
80.05818	2.3
80.06266	2.9
81.03436	1.9
81.04536	3.3
81.07050	100.0
82.05320	0.9
82.07393	3.8
83.05666	1.1
83.06107	3.7
91.05485	2.9
93.07044	13.0
94.07816	1.3
95.04967	36.5
95.06073	1.9
95.07986	2.2
95.08603	44.5
96.04490	13.9
96.05154	1.2
96.05282	0.9
96.08195	1.0
96.08926	2.0
97.07657	3.7
100.02474	7.5
103.05486	2.3
105.04565	2.5
105.07020	12.2
106.02904	0.9
107.04947	7.6
107.06097	3.7
108.05768	30.1
108.07692	3.0
108.09396	1.3
112.03972	5.9
118.03523	7.1
119.01895	5.5
121.06509	4.5
121.10099	1.1
121.90362	1.2
123.04453	10.3
123.05571	25.6
123.08082	66.4
123.10004	2.3
123.11708	15.6
124.03944	19.5
124.07586	2.2
124.08637	6.4
124.12135	1.2
130.46994	1.0
137.02997	3.9
140.03413	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02376	1.3
53.03947	8.8
54.03469	3.3
55.01869	1.3
55.05500	1.6
55.11123	0.4
56.96561	0.8
64.73170	0.4
65.03938	9.3
67.05502	2.8
68.05024	0.6
68.17288	0.4
70.06592	0.9
71.25293	1.1
77.03924	1.9
79.05489	47.4
80.05011	0.9
80.05820	1.3
80.06268	0.5
81.03400	1.5
81.04539	6.2
81.07050	1.4
82.05314	5.9
82.56310	0.4
91.05476	28.4
92.05798	0.7
93.07038	28.7
94.06562	1.6
94.07368	0.9
95.04964	21.8
95.05992	2.2
96.05304	0.5
103.05460	26.6
104.05738	1.0
104.71572	0.5
105.04530	4.4
105.07024	100.0
106.04164	0.5
106.07251	1.7
106.07897	6.6
107.04945	6.8
107.07325	9.4
111.04431	3.1
112.03944	0.5
117.07040	0.4
119.08574	14.9
120.08929	0.7
121.02875	7.4
121.03934	2.9
121.06512	11.4
121.10135	36.1
122.06101	1.3
122.07153	23.2
122.09672	8.5
122.10489	1.3
123.08061	11.1
133.07585	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01588	0.6
51.02381	1.3
53.03943	8.7
54.03471	4.9
54.21695	0.4
55.01865	1.2
55.05516	3.1
56.96550	0.8
57.36001	0.4
58.02972	0.5
65.03605	0.8
65.03935	11.6
66.04301	0.5
67.05500	4.0
70.06598	1.2
70.15278	1.8
71.94881	0.4
77.03922	2.3
78.04723	1.0
79.05489	49.8
80.05013	1.1
80.05820	1.9
81.03413	1.2
81.04539	9.0
81.07058	1.2
82.05317	8.3
91.05476	27.3
92.05817	0.8
93.03380	0.6
93.07036	31.8
94.06557	1.4
94.07362	1.4
95.04961	22.6
95.06056	3.6
96.05296	0.9
98.20846	0.6
103.05461	26.0
104.05765	0.9
105.04528	5.4
105.07024	100.0
106.06559	0.9
106.07889	5.2
107.04945	7.2
107.07336	11.8
111.04442	3.6
112.03949	0.9
117.07001	0.5
119.08568	12.9
120.05605	0.6
120.08919	0.5
121.02862	9.6
121.03967	2.7
121.06512	12.6
121.07500	1.0
121.10136	35.2
122.06120	1.3
122.07151	33.8
122.09661	11.6
122.10488	1.4
123.08051	13.2
133.07600	4.1
138.06741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85107	0.6
51.02381	1.8
53.03946	13.5
54.03468	10.1
55.01857	1.6
55.05507	3.3
56.21133	0.6
57.03399	0.7
58.02961	1.1
61.73425	0.7
65.03940	16.6
66.04265	0.7
67.02990	0.7
67.05506	5.2
68.05032	1.2
69.55983	1.4
69.56400	5.0
70.06586	2.1
77.03902	1.9
78.04690	0.7
79.05489	50.8
80.05018	1.7
80.05826	1.7
80.06261	0.8
80.45534	0.7
81.03464	1.3
81.04540	19.2
81.07037	1.4
82.05313	15.0
87.92679	0.7
91.05475	35.5
92.05810	1.9
93.07038	40.8
94.06573	3.7
94.07373	1.5
95.04965	31.5
95.06049	7.7
96.05278	1.2
98.20817	1.5
103.04791	1.5
103.05462	28.1
104.05032	1.0
104.05772	1.4
105.04524	7.4
105.07024	100.0
106.06530	2.0
106.07920	5.4
107.04945	3.7
107.07336	24.7
111.04446	6.2
112.03979	1.7
116.98610	0.7
117.07050	0.7
119.08581	12.4
120.05640	1.0
120.08896	1.0
121.02859	12.5
121.03973	5.0
121.05666	1.0
121.06508	20.9
121.07574	1.5
121.10136	37.6
122.06116	2.5
122.07147	68.0
122.09656	22.0
122.10463	2.0
123.08054	10.2
133.07594	4.1
134.99672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	2.6
53.03947	13.6
54.03472	10.4
55.01869	1.6
55.05508	4.2
65.03611	1.0
65.03940	15.9
66.04699	1.1
67.02966	1.6
67.05497	5.0
67.95628	0.9
68.05025	1.6
69.64744	6.5
70.06585	1.4
77.03914	3.8
78.04690	1.0
79.05490	52.6
80.05003	2.4
81.03405	2.2
81.04086	1.6
81.04536	15.2
81.05818	1.1
81.07052	2.0
82.05319	13.8
87.35168	0.7
90.92384	0.9
91.05478	47.1
93.03426	1.1
93.07039	42.9
94.06549	3.0
94.07349	1.5
95.04968	38.6
95.06057	7.3
96.05322	1.4
103.05468	25.5
104.05779	1.1
105.04509	7.1
105.07027	100.0
106.06563	2.0
106.07875	6.1
107.04935	1.6
107.07327	21.5
111.04445	6.1
112.03969	2.0
119.08575	12.2
121.02859	12.4
121.03996	3.5
121.06503	25.1
121.07523	1.4
121.10136	34.9
122.06065	3.3
122.07150	60.4
122.09654	22.4
122.10432	1.4
123.08049	12.4
125.38113	0.9
133.07642	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.0
51.02372	1.9
53.03942	10.1
54.03462	5.4
54.73911	0.5
55.01869	2.1
55.05508	3.1
56.96566	0.6
58.02967	0.5
59.84872	0.5
65.03934	10.1
67.05506	3.5
68.05038	1.0
70.06578	0.9
71.58601	0.9
77.03920	2.7
78.04700	1.5
79.05487	54.5
80.05007	1.2
80.05811	1.2
81.03424	1.1
81.04533	9.0
81.07053	1.2
82.05317	7.2
91.05474	32.1
92.05799	1.3
93.07038	32.3
94.04182	0.6
94.06557	2.0
95.04963	29.7
95.06081	3.6
96.05290	1.1
103.05460	26.4
104.05753	0.9
105.04519	5.6
105.07021	100.0
106.06609	1.2
106.07900	6.2
107.04948	24.5
107.07330	9.8
111.04444	3.1
112.03935	0.9
117.07061	0.6
119.08577	11.9
120.05666	0.7
121.02869	7.6
121.03957	2.1
121.06503	20.0
121.07384	1.1
121.10133	35.5
122.07154	39.6
122.09648	9.4
122.10483	1.5
123.08064	11.8
133.07614	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01587	1.0
51.02390	2.0
52.92651	0.7
53.03942	12.4
54.03465	3.7
55.01868	1.8
55.05507	20.9
56.05833	0.8
56.96557	2.7
56.96822	0.7
62.56900	0.7
65.03938	9.0
67.05173	1.2
67.05504	16.2
67.05836	1.4
67.18306	0.7
70.06573	1.0
70.11529	3.0
77.03929	2.4
78.04724	0.8
79.05491	94.2
80.04975	1.6
80.05824	2.5
80.06248	1.1
81.03403	1.2
81.04543	6.8
81.05814	0.7
81.07045	3.6
82.05329	3.0
88.42747	0.7
91.05476	46.6
92.05768	1.0
93.03426	0.8
93.07040	100.0
94.06577	1.7
94.07381	2.7
95.04961	31.6
95.06030	1.1
96.05334	1.2
97.22787	0.7
98.33191	0.7
98.97575	1.4
103.05457	13.3
105.04502	7.8
105.07026	41.7
106.06544	2.5
106.07813	2.6
107.07334	27.9
107.07944	0.4
110.06113	0.7
111.04436	2.0
112.03962	2.1
119.08556	4.0
120.08101	1.3
121.02855	6.4
121.03938	2.8
121.06544	8.3
121.07439	1.0
121.10139	18.8
122.06039	3.5
122.07141	21.0
122.09663	26.8
122.10460	1.3
123.08062	4.9
133.07620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.1
55.05315	1.3
55.05510	14.9
59.36010	1.4
65.03932	8.2
67.05500	40.1
71.58576	2.2
77.03932	1.9
78.49438	1.3
79.05488	100.0
79.69738	1.3
80.05012	2.0
80.05830	2.8
80.06260	1.4
81.07043	1.8
81.10980	1.5
91.05473	32.1
93.07037	92.8
94.06525	2.1
94.07368	3.7
95.04964	23.6
96.05273	2.0
103.05463	12.5
105.04507	3.9
105.07025	46.4
106.06567	1.8
106.07831	3.3
107.07320	23.3
112.03935	3.3
119.08556	5.7
121.02876	4.3
121.06506	6.4
121.10135	36.2
122.06074	2.1
122.07175	2.7
122.09661	16.6
122.10435	1.7
123.08076	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02356	1.7
51.37297	1.6
53.03751	1.4
53.03946	16.8
55.01871	2.9
55.05508	14.7
65.03941	17.8
65.12927	1.6
66.57002	1.7
67.05502	23.5
70.36768	1.8
71.04434	2.2
71.04763	2.3
77.03896	2.7
79.05489	100.0
80.05022	2.8
80.05795	2.6
81.04550	3.6
81.07052	3.4
82.71207	1.6
91.05478	46.0
92.05794	2.1
93.03389	2.2
93.07041	88.9
94.06563	4.6
94.07323	1.8
95.04965	33.8
103.05457	17.2
105.04513	6.7
105.07024	61.2
106.06530	4.4
106.07848	3.3
107.07330	54.5
109.94109	2.1
111.04404	4.0
112.03962	4.6
119.08562	2.6
120.08103	1.5
121.02845	10.5
121.03951	5.7
121.06508	15.1
121.10138	23.1
122.06039	5.4
122.07145	7.5
122.09668	47.8
123.08055	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.9
51.02368	1.4
53.03943	11.8
54.03460	3.4
54.12134	0.7
55.01865	2.0
55.05509	24.8
56.96558	2.3
58.25483	0.8
58.66376	0.9
65.03941	8.8
67.05501	13.2
71.18868	2.3
77.03922	2.1
78.04699	1.1
79.05491	96.0
80.05029	1.3
80.05824	3.0
80.06277	2.1
81.03403	2.0
81.04546	7.0
81.07067	3.2
82.05331	5.5
91.05479	40.9
92.05798	1.9
93.03418	1.0
93.07041	100.0
94.06581	1.8
94.07372	3.6
95.04964	33.6
96.05302	0.9
103.05462	11.8
104.05074	1.0
105.03403	1.0
105.04514	7.9
105.07027	38.5
106.06567	1.2
106.07854	2.0
107.07333	28.2
111.04438	2.9
112.03951	2.2
119.08588	4.6
120.08112	0.9
120.25619	0.9
121.02857	6.2
121.04017	2.6
121.05823	0.8
121.06531	11.7
121.10138	18.8
122.06059	3.5
122.07148	24.9
122.08755	1.3
122.09654	26.0
122.10340	1.1
123.08052	3.5
133.07579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	1.4
53.03942	13.0
55.01859	1.3
55.05509	22.0
65.03931	3.5
65.72464	0.8
67.05500	18.8
70.11703	3.1
70.12103	1.9
74.04486	0.8
77.03929	1.9
79.05489	100.0
80.05827	2.8
80.06259	1.6
81.04551	1.0
81.07049	2.0
91.04893	1.8
91.05476	37.5
92.05813	1.3
93.07037	82.2
94.06603	0.7
94.07366	3.2
95.04963	29.4
103.05470	12.8
105.04530	5.4
105.07025	35.8
106.06507	1.0
106.07826	2.7
107.07339	14.0
112.03991	1.2
119.08572	4.4
119.71378	0.9
121.02868	3.1
121.06520	6.0
121.10132	21.8
122.06147	0.8
122.07146	5.2
122.09676	12.1
122.10495	1.9
123.08076	3.2
133.07549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01588	1.0
50.54744	1.1
51.02362	2.9
53.03946	15.7
55.01863	2.1
55.05510	17.4
56.96560	1.3
65.03933	11.3
66.04231	1.2
67.05499	20.1
69.42839	8.5
77.03905	1.5
78.04702	1.6
78.10125	0.9
79.05489	100.0
80.05024	2.0
80.05824	2.5
80.06277	2.2
81.03419	1.7
81.07040	2.7
91.05479	40.0
92.05807	2.1
93.07038	95.1
94.06569	2.9
94.07364	4.3
95.04961	31.6
103.05460	16.4
105.04518	5.6
105.06308	2.4
105.07025	47.6
106.06524	3.7
106.07848	2.2
107.07336	33.3
111.04451	2.6
112.03936	4.0
119.08575	4.5
121.02846	7.7
121.03914	2.0
121.06522	8.6
121.10141	25.0
122.06014	4.7
122.07140	4.8
122.09666	30.2
122.10444	1.0
123.08035	4.4
133.07556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.03947	12.1
54.03462	3.5
55.01864	2.6
55.05509	26.0
56.08916	0.9
56.96563	2.3
58.02955	1.1
65.03932	10.6
67.05505	11.6
69.97923	4.1
73.77042	1.1
77.03921	2.6
79.05488	100.0
80.05036	1.3
80.05801	3.2
80.06244	1.9
81.03411	1.5
81.04539	7.3
81.07041	3.1
82.05307	4.4
88.07564	0.9
91.05479	47.4
92.05793	1.4
93.07039	97.2
94.06538	2.6
94.07375	3.9
95.04959	36.1
95.06017	1.9
96.04498	1.1
97.29604	0.9
98.21431	1.3
103.05460	15.2
105.04534	6.8
105.07027	39.7
106.06531	2.5
106.07821	2.5
107.04861	1.4
107.07333	29.3
111.04425	2.6
112.03951	2.5
119.08567	4.0
121.02872	7.2
121.03957	2.6
121.05083	0.9
121.06535	7.8
121.10136	17.6
122.06048	3.1
122.07155	24.9
122.09653	25.9
122.10490	2.1
123.08051	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03946	16.9
54.03470	2.3
55.01862	1.9
55.05511	30.7
56.05851	1.3
56.93063	0.9
56.96551	1.3
65.03936	11.5
67.05173	1.2
67.05501	15.0
69.15496	0.8
69.79351	5.8
77.03929	2.6
79.05490	99.0
80.05017	1.3
80.05824	3.1
80.06259	1.6
81.03426	1.8
81.04543	4.8
81.07040	4.3
81.54528	0.8
82.05302	2.6
87.95891	0.8
91.05479	51.2
92.05795	1.3
93.03382	0.9
93.07040	100.0
94.06554	2.1
94.07384	3.8
95.04966	36.6
96.05243	0.9
103.05473	13.4
105.04517	6.7
105.07029	45.7
106.06561	2.2
106.07827	2.5
107.07336	36.1
111.04437	2.8
112.03963	3.5
117.07000	1.0
119.08573	5.6
120.08055	1.1
121.02866	7.8
121.03959	2.3
121.06517	11.2
121.10136	19.8
122.06038	4.1
122.07140	15.3
122.09658	31.7
123.08070	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01588	1.4
51.02366	2.6
53.03714	1.2
53.03944	19.3
54.03467	8.5
55.01854	3.7
55.05508	8.1
56.96557	2.0
58.02934	1.1
63.02345	0.8
65.03935	47.4
66.04250	1.4
67.02969	1.4
67.05502	5.9
68.05023	4.1
68.99749	1.0
69.94093	3.1
70.06586	2.0
77.03912	3.3
78.04702	10.6
79.01816	0.9
79.05489	64.9
80.04999	2.2
80.05808	1.6
80.06267	1.3
81.03423	1.4
81.04533	16.2
81.05790	1.7
81.07043	3.5
82.04848	1.4
82.05318	20.5
83.00733	0.9
91.05474	98.9
92.05794	4.2
93.03393	1.4
93.07037	77.2
94.04138	0.9
94.06551	5.3
94.07370	3.6
95.04967	46.1
95.06052	12.6
96.04514	1.1
96.05267	1.1
103.04795	1.6
103.05465	28.9
103.06146	1.6
104.05788	2.6
105.04520	11.5
105.07024	100.0
106.04156	2.6
106.06550	3.5
106.07864	6.6
107.04877	1.2
107.07332	38.1
108.14211	0.8
111.04439	14.8
112.03939	1.8
112.53744	0.7
116.98664	0.8
119.08562	13.1
120.05605	2.3
120.08099	1.3
121.02857	32.8
121.03970	12.5
121.05663	1.7
121.06498	34.3
121.07579	3.4
121.08346	1.3
121.10131	36.0
122.03160	2.6
122.06081	3.0
122.07148	58.8
122.09657	32.8
122.10397	1.2
123.08065	10.8
130.29240	0.9
133.07611	2.7
134.61078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01588	1.6
51.02374	4.6
52.58574	0.5
53.03943	31.1
54.03461	1.9
54.04279	1.3
55.01865	4.1
55.05498	2.2
56.96553	1.8
65.03931	10.9
66.04253	0.7
67.05495	5.4
69.93031	1.9
69.93447	1.4
72.41967	0.5
72.58786	0.5
77.03922	5.9
78.04712	2.2
79.05488	20.1
80.05017	1.2
81.03419	5.1
81.04539	3.8
82.05302	2.6
91.05475	100.0
92.05788	2.7
93.07036	62.7
94.06592	0.7
94.07365	1.6
95.04960	91.5
96.05293	2.8
98.20842	1.0
102.04681	2.8
103.05457	78.7
104.05033	1.0
104.05801	2.3
105.04506	16.8
105.07019	19.2
106.06572	2.6
106.07167	0.6
107.07330	14.2
111.04421	1.5
112.03963	1.4
112.04745	0.6
118.06519	1.1
119.04922	0.6
119.08570	2.1
121.02906	4.9
121.03925	1.9
121.06496	42.7
121.10144	6.3
122.06052	1.5
122.07145	14.7
122.09656	13.7
123.08047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01590	0.7
51.02378	2.9
52.67551	0.5
53.03946	19.5
54.03469	4.5
54.17987	0.6
55.01865	3.4
55.05505	1.6
56.96556	0.7
65.03938	12.4
65.31340	0.6
67.02969	0.8
67.05503	5.6
68.05019	1.0
70.06569	0.8
70.56609	0.6
70.56940	2.1
77.03933	4.0
78.04700	2.6
79.05492	31.8
80.05785	0.9
81.03418	10.1
81.04533	8.5
81.05781	1.1
81.07059	0.9
82.05318	7.4
88.37804	0.5
91.05479	59.4
92.05817	1.8
93.03379	0.8
93.07040	41.9
94.06597	3.4
94.07385	1.4
95.04967	43.7
95.06073	3.9
95.17905	0.6
96.05297	0.9
99.95686	0.6
102.04668	0.8
103.05465	24.6
104.05756	1.0
105.04518	10.6
105.07030	48.4
106.04179	0.6
106.06567	1.4
106.07807	2.7
107.07330	13.9
111.04471	3.1
119.08585	4.7
121.02886	8.4
121.03995	2.6
121.06502	100.0
121.10136	14.5
122.07156	36.7
122.09655	12.8
122.10490	1.2
123.08078	5.4
133.07524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.2
53.03932	9.0
55.01868	1.0
55.05500	1.8
61.89540	0.9
65.03605	1.5
65.03936	18.9
66.92995	0.9
67.05488	1.6
69.86211	3.6
77.03902	0.8
78.93121	1.7
79.02960	1.0
79.05062	1.9
79.05489	21.5
80.05013	16.6
81.03442	1.2
83.17896	0.9
91.05473	39.5
92.05008	7.2
92.05804	13.5
93.04515	2.4
93.07036	34.6
94.06505	1.0
94.07369	1.1
95.04960	19.5
96.05235	1.0
96.50473	0.8
103.05459	68.6
104.05773	2.9
105.04512	3.3
105.05880	4.8
105.07027	23.1
106.07788	2.5
110.06050	3.2
111.04435	3.8
118.06547	19.4
118.07365	2.5
119.07332	1.8
119.08581	3.8
120.04572	5.3
120.05622	10.1
120.08099	100.0
120.08859	5.9
121.02867	11.8
121.03978	5.6
121.06525	7.9
121.08411	1.4
121.10131	10.4
123.08085	1.3
125.07016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01582	0.7
51.02380	2.8
53.03945	26.1
54.04282	0.7
55.01877	3.2
56.96563	3.3
59.79736	0.5
65.03941	3.3
67.05495	0.7
69.59869	0.5
71.01933	1.3
75.48591	0.5
77.03924	4.8
78.04719	0.7
79.05494	1.4
81.03410	3.0
81.04552	0.6
82.05305	0.9
82.78555	0.5
91.05479	77.1
92.05798	2.1
93.04530	3.5
93.07040	55.9
94.04171	1.1
94.07387	1.9
95.04963	68.4
96.05288	1.6
102.04681	2.3
103.05461	100.0
104.05802	3.5
105.04508	12.5
111.04489	0.9
121.04008	1.9
121.05088	1.9
121.06499	69.5
122.06889	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
60.87460	0.5
65.03933	4.8
70.69844	1.0
70.70235	1.2
76.81198	0.5
78.04708	1.9
79.05482	7.9
83.39666	0.6
91.05477	100.0
92.05804	1.6
93.07043	6.8
95.04973	6.9
96.05322	0.8
102.04767	0.7
103.05466	14.6
104.05617	1.1
104.06251	15.6
105.04510	1.3
109.06524	2.2
115.05455	8.4
117.07011	33.9
118.07307	0.9
119.08575	75.4
120.08916	2.4
121.06486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04633	0.4
53.03944	3.7
54.04290	0.7
59.06115	1.2
65.03942	7.8
68.28208	0.5
77.03913	0.5
78.04693	1.6
78.05122	0.5
78.93124	0.5
79.05482	5.4
82.62755	0.6
91.05478	100.0
92.04999	2.5
92.05825	1.9
93.07040	4.5
95.04971	5.9
96.05307	2.3
102.04694	0.5
103.05464	11.3
104.05621	0.8
104.06254	12.0
105.04502	1.0
107.86014	0.5
109.06503	1.8
109.48749	0.5
110.06059	0.7
115.04662	0.8
115.05443	6.4
117.07017	21.9
117.07854	1.2
118.07365	0.9
119.04947	3.0
119.06078	1.3
119.06835	1.4
119.08576	48.6
120.04449	1.2
120.05564	1.6
120.08170	0.9
120.08916	1.7
121.06459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.72026	0.6
51.02365	0.8
53.03938	2.9
55.05508	1.6
56.05030	0.5
59.06119	6.5
60.04513	1.8
65.03938	7.9
71.26347	1.3
74.06069	0.5
77.03906	0.5
78.04707	1.9
78.93073	0.6
79.05489	8.0
87.05574	1.0
87.30441	0.5
88.58067	0.5
91.05477	100.0
92.04996	2.0
92.05819	2.0
93.07050	4.8
95.04958	6.0
96.05281	1.5
96.94160	0.5
103.05461	11.9
104.06254	10.0
105.04517	1.0
109.06490	0.9
115.05450	5.8
117.07010	18.4
117.07848	0.9
119.04945	2.1
119.06063	2.3
119.06849	2.2
119.08576	53.8
120.04486	1.3
120.05590	2.3
120.08102	3.0
120.08926	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
54.04260	0.5
58.72734	0.5
59.06129	3.4
60.04521	0.7
65.03941	8.8
69.55511	4.7
77.17633	0.6
78.04710	1.0
79.05497	7.4
80.21264	0.7
87.05566	0.8
91.05480	100.0
92.04991	2.2
92.05818	2.9
93.07043	4.8
95.04965	7.3
96.05299	1.4
98.21525	0.6
102.04694	0.7
103.04786	1.1
103.05463	14.8
104.06247	12.7
105.04517	1.5
109.06522	1.5
115.05464	6.6
115.98254	0.5
116.64823	0.7
117.07015	19.9
119.04920	2.9
119.06046	1.8
119.08580	59.8
120.04449	1.3
120.05548	1.2
120.08086	4.5
120.08920	2.1
121.06486	0.6
129.59114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03928	2.9
62.38379	1.0
65.03934	5.0
67.89675	0.8
71.37395	1.7
77.81149	0.9
79.05502	5.4
80.69649	0.9
86.28925	0.9
86.54600	1.0
91.05479	100.0
92.05056	1.0
92.05818	2.7
93.07041	6.5
95.04982	4.9
96.05318	1.1
103.05477	16.5
104.06255	12.3
105.04490	1.3
109.06503	2.5
115.05463	7.0
117.07013	32.2
119.08575	60.8
120.08905	1.2
121.06531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.48349	0.6
51.02392	0.7
52.75456	0.6
53.03950	2.8
53.33453	0.6
59.06129	1.0
65.03940	6.1
69.26627	7.1
78.04696	1.5
78.93107	0.8
79.05499	5.9
82.08860	0.6
91.05479	100.0
92.05003	2.0
92.05827	3.5
92.08488	0.6
93.07030	5.3
95.04973	5.8
96.05290	1.7
103.05460	12.7
104.06249	13.2
105.04501	0.9
109.06512	1.6
115.05446	6.6
117.07017	27.6
117.07853	1.5
119.04935	1.3
119.06049	1.6
119.08577	61.1
120.04414	0.8
120.05599	1.4
120.08095	1.2
120.08921	1.2
129.14871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02370	0.7
53.03735	0.5
53.03945	3.5
59.06120	1.9
65.03941	6.3
69.64034	4.1
74.09700	0.5
77.03922	0.6
78.04710	2.0
79.05499	7.8
87.05569	0.7
91.05479	100.0
92.05796	2.4
93.07043	6.3
95.04970	6.0
96.05264	1.0
103.05469	14.5
104.06248	14.2
105.04505	1.6
109.06540	1.2
115.05448	7.0
117.07013	20.7
118.07292	0.8
119.04951	0.8
119.08578	69.2
120.05569	1.1
120.08087	2.9
120.08907	2.2
121.06511	0.7
128.10973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91845	3.9
53.03906	5.3
55.05504	5.7
56.96567	29.7
65.03941	9.2
67.05487	23.5
69.03411	9.8
71.56591	7.3
71.56957	6.7
79.05472	7.6
80.06263	8.6
91.05475	47.1
100.02472	21.5
101.00884	9.3
102.04164	5.0
103.02438	20.9
107.05259	17.2
116.05756	10.8
116.98621	10.6
118.03503	16.7
119.01909	100.0
119.08540	5.9
120.01991	5.7
121.03473	25.0
134.99646	10.4
137.01964	7.9
137.02946	62.4
137.62900	5.3
138.03067	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02366	0.6
53.03941	1.8
54.04282	0.6
60.16755	0.4
63.02363	1.1
65.03938	38.7
66.04281	0.5
68.58514	0.4
70.19550	0.4
74.50893	0.5
78.04688	0.7
78.93117	0.4
79.05498	2.6
83.84420	0.4
91.05479	100.0
91.20897	0.4
92.05007	1.9
92.05801	3.1
93.07023	1.4
95.04969	2.4
96.04491	0.6
96.05287	1.6
103.05466	3.3
103.12930	0.4
104.06242	3.6
105.04573	0.5
109.06514	1.4
112.56287	0.5
115.05449	1.4
117.07016	6.9
119.04950	7.9
119.06063	2.0
119.06864	1.2
119.08549	11.5
120.04470	0.6
120.05572	0.9
120.59035	0.4
126.15447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02378	9.3
53.03707	2.2
53.03947	40.3
54.35579	1.6
55.01878	2.3
58.06599	39.5
59.07381	33.5
65.03939	2.5
69.44458	12.7
76.93362	3.3
77.03932	8.0
79.05489	2.5
81.03403	5.3
91.05477	41.3
95.04963	100.0
96.05304	2.2
103.05453	4.1
104.06258	4.3
105.04517	19.3
115.05454	1.9
116.05769	2.6
117.07008	7.7
118.06538	45.8
118.07256	2.0
118.08648	43.6
119.06041	2.1
119.06847	2.5
119.08598	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01598	1.5
50.07376	1.1
51.02375	7.5
53.03944	40.8
55.01867	2.6
58.06595	9.0
59.07389	7.0
65.03921	3.9
67.05499	1.3
69.43239	1.2
71.03394	2.7
72.08141	1.6
76.93363	9.1
77.03921	8.3
79.05498	2.6
81.03410	5.0
91.05473	49.0
92.05814	2.4
94.94386	3.3
95.04961	100.0
96.05291	2.5
103.05453	1.4
104.06245	2.9
105.04505	17.5
115.05480	1.4
116.05768	2.6
117.06990	6.6
118.06537	49.3
118.08640	18.1
119.04929	1.0
119.06086	2.0
119.06859	1.7
119.08554	13.3
125.41725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	2-Amino-2-methylbutanoate
Peak:m/z	Relative Intensity
53.03936	2.1
54.46957	0.5
55.05507	21.5
56.05027	1.5
56.96558	1.8
57.03425	0.5
57.05806	2.0
58.06595	11.9
58.79431	0.5
58.86329	0.5
59.04991	1.1
59.06118	3.5
59.07378	7.4
59.93094	1.2
60.04526	1.5
60.06446	0.9
65.03933	0.8
70.06583	3.4
70.19530	0.5
71.04985	0.6
71.07531	1.2
72.04509	0.6
72.08150	100.0
73.08488	1.5
76.06189	0.6
76.07614	0.7
76.93361	5.0
79.05492	0.9
82.06567	0.8
86.01340	0.5
87.05585	0.7
88.07641	0.7
91.05473	20.6
92.98974	0.5
94.94389	2.3
95.04948	3.2
100.07620	1.0
103.05460	0.6
105.04539	0.8
106.40307	0.5
112.95432	0.8
117.07015	1.2
117.96008	0.8
118.03531	0.7
118.06521	2.9
118.08643	14.1
118.10574	1.1
119.01917	1.1
119.06076	0.5
119.08539	2.4
137.02951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
53.03934	5.8
55.93887	1.2
56.05020	3.6
56.41398	1.2
56.96555	1.4
58.02959	3.4
58.06611	6.7
59.06123	11.5
59.07380	2.7
59.93098	5.8
60.04515	6.4
60.06458	2.2
65.03924	4.6
70.46202	4.1
72.04516	9.0
72.08150	4.0
74.06051	1.5
75.05591	2.1
76.93370	30.1
79.05476	1.5
83.44218	1.3
86.61503	1.3
91.05482	95.1
92.05826	2.2
92.86240	1.2
94.94392	10.4
95.04961	12.4
96.87428	1.2
100.03990	1.6
105.04531	3.1
112.95463	1.7
117.05771	9.7
117.07021	4.4
117.95983	3.0
118.06543	100.0
118.08659	5.1
118.96770	2.1
119.04971	1.8
119.06081	4.7
119.06847	2.2
119.08569	4.8
138.37398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.8
51.02380	8.5
53.03945	40.7
55.01864	2.1
55.35410	0.9
58.06597	35.4
59.07380	28.8
59.93089	1.6
65.03920	2.7
69.28831	2.2
69.29248	8.3
72.08138	1.1
76.93360	5.3
77.03915	7.7
79.05464	1.5
81.03409	3.6
87.63750	0.9
91.05477	47.6
92.05789	1.7
93.07030	1.1
94.94414	2.7
95.04964	100.0
96.05282	1.6
103.05487	2.3
104.06236	4.1
105.04507	20.6
109.06517	1.0
112.95437	1.2
115.05428	1.7
116.05784	3.5
117.07017	5.1
118.06543	48.5
118.07260	2.1
118.08650	48.2
119.04977	1.0
119.06052	2.2
119.06855	2.2
119.08549	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31713	0.1
54.84722	0.2
55.01872	0.7
55.05493	0.4
56.05034	1.1
56.82688	0.2
56.96561	0.7
57.03436	0.6
57.93566	0.5
58.06599	1.4
58.52219	0.1
59.04987	1.0
59.05830	0.2
59.06125	3.6
60.04527	0.4
61.01939	0.1
61.11000	0.2
68.05029	0.5
69.03408	0.3
69.07066	0.2
70.02972	0.2
70.06590	100.0
70.57552	0.4
70.57897	0.1
71.04987	0.3
71.06289	0.2
71.06918	1.6
72.04514	0.3
72.08158	0.4
74.02435	0.3
74.06077	0.5
74.09706	0.2
74.93820	2.0
76.07639	2.6
84.04508	0.5
85.02937	0.2
85.81166	0.1
87.09231	0.3
88.07648	0.2
89.03888	0.2
92.94872	1.1
93.03764	0.2
98.06056	0.8
98.07178	0.6
98.09689	3.0
100.07613	0.3
110.95914	0.4
115.05463	0.4
115.96435	0.4
116.03432	0.3
116.04286	0.2
116.07088	5.4
116.08237	0.3
116.10719	0.8
116.98625	0.2
117.07021	0.2
117.10243	2.0
120.01975	0.1
133.97487	0.2
134.99695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02368	0.6
53.03753	0.4
53.03951	4.0
58.06582	0.5
59.07371	0.4
65.03939	0.9
71.06842	0.8
76.93365	0.8
77.03922	1.1
91.05477	48.6
92.05816	1.5
94.94386	0.6
95.04962	10.5
105.04501	2.0
115.05450	97.7
116.05745	2.4
116.06289	1.9
117.07012	100.0
118.06531	4.9
118.07357	3.6
118.08668	0.8
133.06522	0.5
136.97075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01593	1.8
51.02386	8.1
53.03947	41.6
54.04285	1.3
55.01866	2.7
56.96566	1.5
58.06602	9.3
59.07376	8.0
59.93113	1.8
65.03926	1.5
71.37415	2.3
72.08158	1.7
76.93357	9.2
77.03931	7.8
79.05495	1.4
81.03409	3.9
82.11673	0.9
91.05479	41.2
94.94419	3.8
95.04966	100.0
96.05297	1.6
103.05463	1.9
104.06232	1.8
105.04504	18.2
109.06534	1.0
116.05793	3.4
117.07025	4.1
118.06545	48.2
118.07307	4.1
118.08649	16.7
119.04947	1.0
119.06097	1.6
119.06878	1.7
119.08587	11.7
125.86555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05507	0.3
56.05021	0.7
56.96563	0.3
57.03431	0.3
57.93573	0.3
58.06600	1.6
59.05007	1.1
59.06126	3.7
60.04515	0.1
68.05021	0.5
69.03416	0.2
70.02983	0.2
70.06589	100.0
70.30761	0.6
71.05004	0.2
71.06292	0.2
71.06913	1.6
72.04475	0.1
72.08140	0.4
74.02434	0.3
74.06078	0.3
74.72196	0.1
74.93815	1.6
75.24625	0.1
76.07639	2.1
82.06631	0.1
84.04514	0.2
85.02908	0.2
88.07643	0.2
92.94865	0.6
98.06058	0.7
98.07167	0.3
98.09691	2.5
100.49251	0.1
110.95879	0.2
115.05483	0.2
116.03429	0.2
116.07085	6.0
116.08264	0.3
116.10738	0.6
117.10248	2.3
133.97554	0.2
134.99629	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
55.01862	0.5
55.05515	1.0
56.05032	0.9
56.96561	3.0
57.03438	0.3
57.93553	0.2
58.06593	2.2
59.05000	0.9
59.06119	4.8
60.04520	0.2
62.37877	0.1
65.78082	0.1
68.05007	0.8
69.03417	0.2
69.28654	0.1
69.97723	0.9
70.06587	100.0
71.06919	2.0
71.95255	0.1
72.04528	0.2
72.08162	1.0
74.02429	0.3
74.06078	0.4
74.93826	1.3
76.07635	2.8
77.00774	0.1
83.00792	0.4
84.01587	0.2
84.04488	0.3
86.06136	0.1
87.09236	0.4
91.05483	0.2
92.01295	0.5
92.94845	0.3
98.06038	1.4
98.07158	0.4
98.09689	3.3
98.97031	0.1
98.97573	1.0
99.02020	0.1
100.07608	0.4
116.07085	6.0
116.08245	0.3
116.10709	0.9
116.98602	1.1
117.10248	2.4
118.03427	0.2
123.32320	0.1
134.99651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69081	0.4
53.03942	0.4
54.03468	0.7
55.01882	2.0
55.05505	1.6
55.93527	0.7
56.04264	0.4
56.05033	1.2
56.96564	100.0
57.03437	4.0
57.04556	1.3
58.02958	1.5
58.03745	0.4
58.06594	0.6
58.99870	1.3
59.03740	0.7
59.05002	0.9
60.04520	1.1
60.26287	0.4
61.96515	0.4
62.65776	0.4
65.26936	0.4
67.02982	3.5
67.05509	0.6
68.02634	0.7
68.05026	1.2
69.03436	2.7
69.04562	0.8
69.07056	2.0
69.71619	0.7
69.72020	2.2
70.02940	0.5
70.06593	1.2
71.06113	0.4
71.95250	2.0
72.04516	48.0
72.08150	1.9
72.93787	66.0
72.96056	0.6
73.02907	1.4
73.04047	0.8
73.04845	0.8
73.07674	0.5
73.93825	0.7
74.04820	19.2
74.97608	1.8
77.00904	1.7
78.52938	0.5
79.05497	3.0
79.41491	0.4
81.01907	0.8
81.03410	1.3
81.04511	0.9
82.01461	0.6
82.02704	0.6
82.05334	0.9
83.04993	0.5
83.97639	2.1
85.02886	0.7
86.06084	2.1
87.05592	2.2
88.02679	1.0
90.94824	24.9
95.01952	0.7
95.04955	0.4
96.05607	1.3
96.08121	1.3
97.02861	0.8
97.04016	1.6
97.06467	1.1
97.07703	0.5
98.21487	0.5
99.53500	0.5
100.02471	4.7
100.52471	0.4
101.00911	0.9
101.01638	0.8
101.98701	0.6
102.02321	1.3
103.02415	0.8
105.00371	1.0
105.03358	0.7
108.53987	0.5
108.95865	8.8
111.02962	2.9
113.96412	3.4
113.98620	1.0
114.02689	0.7
114.04007	2.5
114.05535	1.2
114.06651	7.7
114.09161	13.2
114.10301	1.4
115.02393	0.6
115.03915	0.6
116.98619	0.8
118.01093	0.5
118.03510	5.6
119.01924	7.3
119.03566	0.5
119.99732	0.6
120.01960	0.7
120.03296	1.9
121.01614	1.6
121.02861	1.5
123.01379	0.7
126.96869	0.5
131.01913	6.7
131.97449	4.5
131.99698	3.4
132.05063	69.4
133.02335	0.9
133.03455	1.9
133.05272	2.7
134.99641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.6539
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05491	1.5
81.07049	4.8
83.04942	0.3
83.08614	12.7
84.72623	0.2
85.02905	1.7
85.06571	0.3
85.10175	4.0
91.03928	1.0
91.05462	0.3
93.07034	1.9
95.08601	5.4
97.02882	1.0
97.06515	1.4
97.10163	10.6
98.98456	5.4
98.98987	0.1
101.06010	0.2
107.08575	1.4
109.10143	2.5
111.08066	0.8
111.11720	3.5
116.99445	0.2
121.10142	2.8
123.11710	1.2
125.09615	0.6
125.13240	0.8
127.03876	0.7
135.11678	1.8
137.13251	0.5
139.11145	0.6
145.04944	0.6
149.13264	0.8
155.01036	2.5
163.05988	1.3
163.14780	0.5
173.02057	0.6
177.16441	0.2
192.01315	0.2
192.45674	0.2
201.07787	0.2
219.21111	0.5
221.22601	0.2
237.22130	0.8
239.23671	2.9
247.05740	0.7
257.24710	0.6
293.24881	0.2
311.25784	100.0
312.26068	1.5
313.27332	18.0
314.27576	0.4
331.28403	7.8
389.23648	0.2
391.22318	0.4
447.25085	5.4
465.26212	0.2
475.32690	0.4
637.38104	0.3
921.18018	0.3
1085.50146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00289	1.3
54.03460	2.4
55.01853	2.6
55.05513	6.2
56.05026	2.1
56.96563	0.9
57.03428	6.3
57.07075	81.9
58.06590	2.6
58.07379	1.6
60.04521	1.9
65.03944	10.5
67.01884	4.1
67.02993	1.6
67.05504	100.0
68.05019	5.0
68.05827	1.2
69.03423	1.9
69.04533	0.8
69.07056	3.5
70.02955	5.3
70.06590	9.5
71.01339	0.8
71.04993	17.1
71.06106	0.9
71.94091	3.6
71.95235	0.9
72.04511	3.2
72.08139	2.5
72.93789	51.9
73.05289	1.2
73.94310	0.8
74.04821	7.6
75.66994	0.8
79.05481	2.7
83.06097	1.8
83.44942	0.9
85.06546	22.3
85.07654	1.8
86.06059	2.0
87.05604	0.8
88.48284	0.7
90.94830	18.2
95.01324	1.9
95.04969	26.1
95.06072	3.2
95.08601	1.1
96.00855	2.4
96.04496	2.1
96.06902	1.7
96.08149	4.0
108.95856	3.8
113.00014	1.2
113.02365	48.9
113.03489	4.8
113.06009	14.4
113.07153	6.3
113.09688	1.2
113.10769	3.4
113.96424	2.1
114.06669	3.2
114.09167	6.9
114.10310	1.2
131.97414	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0236
Annotation	2-Furoate
Peak:m/z	Relative Intensity
53.00306	1.1
53.03937	1.3
54.03233	0.6
54.03470	5.1
54.93822	0.4
55.01869	5.9
55.02985	0.6
55.05505	2.8
55.93516	1.5
56.05034	10.6
56.96563	44.0
57.03437	6.5
57.04555	1.1
57.05814	0.9
57.07081	0.5
58.02948	1.8
58.06304	0.5
58.06596	9.3
59.06123	1.0
60.04512	2.2
65.03947	2.2
67.01861	12.8
67.02988	3.3
67.05502	14.4
68.01392	0.7
68.05024	13.9
68.99791	1.6
69.03421	3.2
69.04556	1.5
69.07059	2.7
69.69617	2.1
69.70036	0.6
70.02952	14.8
70.03764	0.9
70.06589	12.4
71.01349	1.6
71.04986	4.1
71.06110	1.7
71.06931	0.5
71.94099	11.2
71.95251	5.4
72.04514	7.4
72.05641	0.6
72.08150	5.1
72.93784	66.0
73.05291	6.1
74.04819	11.4
74.97594	1.0
78.03446	1.0
79.05491	2.9
80.04993	0.5
81.03381	0.6
81.04523	2.5
81.05789	1.5
82.05331	0.4
83.04966	0.6
83.06104	5.8
83.97627	1.5
84.04502	1.9
84.05615	0.8
84.06892	1.8
84.08115	0.8
85.02906	3.3
85.04028	0.5
85.06548	1.1
85.07672	2.9
85.08456	0.7
86.06068	6.8
86.07984	0.4
87.05588	1.8
89.70273	0.4
89.95143	1.5
90.94822	30.7
91.02337	0.4
95.01330	8.2
95.02442	1.2
95.04974	4.1
95.06084	9.4
95.08589	0.9
96.00851	7.9
96.04488	4.5
96.05618	0.8
96.06882	0.9
96.08121	8.8
97.02888	0.8
97.06448	0.9
97.07650	0.6
98.21402	0.9
98.98470	0.4
100.02479	0.8
101.98635	0.8
107.96210	0.6
108.95855	15.0
111.02931	0.6
112.96742	0.6
113.00021	21.0
113.02360	100.0
113.03480	11.4
113.06004	5.2
113.07128	10.9
113.07937	2.0
113.10764	6.9
113.96393	4.4
114.02709	1.8
114.03900	0.4
114.05515	2.6
114.06657	3.7
114.09162	7.8
114.10293	1.0
114.12790	1.3
116.98572	0.4
118.03500	0.8
119.99707	0.4
126.96913	0.5
130.97742	0.8
131.00166	0.6
131.01071	0.5
131.97432	6.5
131.99658	0.8
134.99614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0967
Annotation	Cyclohexyl isocyanide
Peak:m/z	Relative Intensity
52.27691	0.5
53.03937	2.9
54.04266	2.0
55.01871	2.8
55.05508	11.8
56.05030	3.1
56.05841	0.8
57.13603	0.5
65.03931	5.3
66.03442	0.5
66.04248	1.1
67.01857	0.7
67.02976	0.8
67.04229	2.4
67.05173	0.9
67.05500	11.0
68.05024	16.6
68.05836	6.3
68.95274	2.2
69.03408	2.0
69.04548	5.8
69.05340	1.1
69.05807	1.0
69.07063	1.7
70.06588	21.4
70.07393	0.9
70.49422	1.2
71.07355	2.0
80.05001	2.4
80.05815	1.7
81.03424	1.3
81.07049	1.2
82.03738	3.1
82.05309	1.0
82.06576	27.8
82.07310	2.9
83.04963	5.0
83.06094	4.3
83.06909	0.9
83.08634	0.7
84.08150	0.9
91.05473	3.1
92.04960	1.4
93.03402	1.0
93.04510	1.7
93.07036	5.2
94.06550	2.8
95.04969	2.3
95.06082	1.4
95.07349	0.5
96.06858	2.9
97.01016	0.7
108.08109	8.0
109.07668	1.3
110.03156	0.6
110.06034	21.5
110.07155	21.2
110.09673	100.0
111.04441	11.2
111.05592	2.5
111.06300	1.1
111.08089	3.9
111.09201	32.0
111.09985	3.2
123.48952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
142.79132	0.2
147.73228	0.2
158.29724	0.2
184.89104	0.2
192.83635	0.2
237.52959	0.2
250.16412	0.2
260.98535	0.2
262.36151	0.2
283.09103	0.2
313.27271	0.4
345.39142	0.2
384.11917	0.2
396.11926	0.7
397.13080	1.7
398.13461	0.6
399.14252	0.3
400.15375	0.2
410.13684	1.5
411.14423	3.1
412.15213	3.1
413.15887	2.3
414.16052	0.4
423.14957	1.0
424.10825	0.6
424.15247	1.3
425.16336	8.0
426.16788	6.2
427.17206	2.8
428.18414	1.7
429.18231	0.4
437.11249	0.3
437.16028	0.9
438.12897	1.3
438.17126	1.1
439.13474	10.6
440.13812	1.8
440.19406	3.8
441.19278	27.2
442.19504	4.8
443.19418	4.3
444.18585	0.4
449.54080	0.2
451.07114	0.2
451.13477	0.6
452.14029	2.1
453.15201	12.9
454.15826	4.9
455.15594	2.4
456.16751	0.8
457.15088	1.0
458.15646	0.9
459.20694	0.4
463.13828	0.5
464.15125	0.4
465.15250	0.8
466.16302	0.5
467.17194	21.2
468.17813	12.7
469.18466	12.0
470.18726	2.8
471.18134	1.7
472.17316	0.8
473.16690	0.3
478.15799	0.3
479.16791	0.5
480.17450	0.6
481.14713	11.7
482.15033	3.7
483.14993	2.2
484.15817	0.5
485.18427	1.3
486.18573	0.5
487.19266	0.6
488.13785	0.3
494.17352	0.5
495.16132	4.3
496.17169	9.5
497.17789	3.4
498.17899	2.0
499.19348	1.0
508.19507	0.8
509.18231	2.0
510.19299	0.9
511.19208	0.5
512.20740	1.1
513.21124	0.3
514.22437	2.4
515.22223	0.5
516.21954	0.3
522.17944	0.6
523.19946	1.8
524.19733	0.2
525.18182	0.4
526.18976	0.3
527.23560	2.4
528.22833	0.7
529.23334	0.6
536.18835	0.3
537.19080	0.5
539.19312	0.4
540.20251	0.6
541.20313	0.4
542.21411	0.8
545.24121	0.5
555.22382	24.8
556.22693	4.3
557.22620	4.9
568.19098	0.3
573.22980	0.6
583.21863	77.0
584.22125	13.9
585.21997	14.3
586.21484	1.3
587.25238	1.5
611.21075	1.8
613.21533	0.5
614.23932	0.6
615.14960	0.4
615.24469	7.2
616.25116	1.2
617.24683	1.3
642.23059	3.1
643.23926	100.0
644.24170	14.3
645.24084	18.7
646.23956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.7
51.02383	1.8
53.00315	0.8
53.03947	36.6
53.62082	0.4
54.03468	0.7
54.04283	0.7
55.01864	2.3
55.05510	12.1
57.24632	0.4
65.03938	10.8
66.03449	0.5
66.04707	0.8
67.03010	0.5
67.04260	1.7
67.05504	100.0
67.93587	0.5
68.05030	9.5
68.05830	2.3
68.95280	0.5
69.04543	3.4
69.05777	0.4
69.07066	8.1
70.91398	1.3
79.05494	22.6
80.05015	1.3
80.05858	0.7
80.06289	1.3
81.03417	50.5
81.04478	1.1
81.07056	41.7
82.03735	0.9
82.06576	6.4
82.07366	1.1
83.06091	1.3
83.41068	0.5
91.05473	4.9
92.05009	1.8
93.04541	0.9
94.04189	6.0
94.07835	1.5
95.04957	1.6
96.00989	0.6
107.04951	2.2
107.08601	3.5
109.02881	10.5
109.06516	24.7
109.07643	14.8
109.10155	29.7
110.06040	10.4
110.07158	15.0
111.04431	1.1
120.95892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02368	0.8
51.34415	0.7
53.03945	17.8
55.01892	0.7
55.05505	13.5
65.03938	7.0
67.05499	100.0
68.05022	3.4
68.05832	1.4
69.04544	1.5
69.07057	7.6
70.63228	1.2
70.63596	1.5
79.05487	17.4
80.06277	1.5
81.03416	22.0
81.07053	33.9
82.06580	2.9
91.05484	4.3
92.04990	1.2
94.04173	3.1
94.07823	1.6
107.04959	1.3
107.08603	2.9
109.02906	4.7
109.06519	8.1
109.07626	4.8
109.10146	30.0
110.06030	6.2
110.07164	4.3
110.10504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02380	1.1
53.00314	0.7
53.03946	16.5
54.04285	0.5
55.01870	0.9
55.05512	9.4
56.28679	0.4
60.25709	0.4
64.51493	0.3
65.03941	6.6
66.04706	0.4
67.05503	100.0
67.93548	0.3
68.05033	2.9
68.05833	2.8
68.26691	0.4
69.04563	1.9
69.07067	6.8
69.95229	1.7
79.05492	15.4
80.05827	0.6
80.06273	1.1
81.03417	21.8
81.07056	32.0
82.03773	0.5
82.06581	1.7
82.07385	1.1
83.06126	0.6
91.05478	2.8
92.04987	0.8
93.04574	0.4
94.04181	3.0
94.07838	1.6
95.04984	0.7
100.02514	0.4
105.07056	0.5
107.04939	0.5
107.08591	3.0
109.02879	5.2
109.06519	9.4
109.07629	2.9
109.10155	26.7
110.06048	6.5
110.07170	6.5
110.10480	0.8
113.96363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.01601	0.4
51.02375	1.1
53.00298	0.7
53.03943	17.2
54.04276	0.5
55.01872	2.9
55.05508	11.4
56.05043	0.7
65.03936	9.4
66.04715	2.0
67.05499	100.0
67.93562	0.4
68.05022	7.1
68.05823	1.9
68.95292	0.4
69.04531	0.5
69.05813	0.4
69.07063	7.6
71.57632	0.5
79.05487	37.8
80.05009	0.8
80.05824	1.1
80.06278	1.1
80.49328	0.4
81.03412	19.6
81.07049	49.0
82.03753	0.8
82.06578	6.0
82.07385	1.7
83.06095	0.9
90.79544	0.4
91.05478	7.6
92.05006	1.9
93.04520	0.7
94.04180	3.3
94.07825	1.2
95.04963	2.2
105.07035	0.8
107.04946	1.4
107.08588	3.9
108.06837	0.4
109.02870	3.5
109.06512	39.4
109.07641	13.9
109.10146	37.5
110.06080	4.1
110.07108	2.2
110.07850	0.5
110.10488	1.2
111.04437	0.5
113.57518	0.4
123.50355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02378	1.6
53.00307	1.3
53.03946	30.5
54.03476	0.8
54.04288	0.8
55.01868	2.7
55.05259	1.3
55.05507	12.3
59.26301	0.6
64.75211	0.7
65.03939	8.3
66.04712	1.1
67.05502	100.0
68.05023	8.9
68.05824	1.9
68.95300	0.6
69.04547	2.7
69.07075	7.0
70.92036	2.0
75.01385	0.6
79.05492	21.1
80.05000	1.1
80.06263	1.0
81.03414	43.2
81.07053	33.5
81.56551	0.6
82.03750	1.3
82.06570	5.3
91.05480	5.8
92.05003	1.9
94.04187	4.9
94.07822	1.6
95.04953	1.1
97.28133	0.6
107.04958	1.6
107.08593	3.1
109.02875	10.8
109.06513	16.6
109.07635	12.7
109.10153	26.6
110.06058	8.0
110.07160	11.2
110.10487	1.6
119.06068	0.6
125.43218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52610	0.4
51.02369	1.0
53.00306	1.1
53.03945	18.9
54.04290	0.8
55.01875	1.4
55.05509	10.5
57.30390	0.5
65.03939	6.9
66.04711	0.7
67.05502	100.0
68.05029	2.1
68.05833	2.1
68.95287	0.5
69.04546	1.6
69.07066	6.4
71.57393	0.4
71.57836	0.8
74.68704	0.5
79.05492	15.6
80.05016	0.7
80.05846	0.5
80.06264	1.8
81.03416	25.8
81.07053	34.5
82.03752	1.0
82.06577	2.6
82.07379	0.5
91.05461	3.0
92.05032	0.6
94.04177	2.9
94.07808	1.5
95.04977	0.9
100.05827	0.4
107.04940	0.5
107.08610	2.8
109.02868	4.6
109.06517	9.1
109.07669	2.7
109.08405	0.8
109.10153	25.6
110.06029	11.2
110.07148	7.7
110.10497	0.8
112.03909	0.5
124.13766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00272	0.3
53.03941	4.8
55.01863	0.4
55.05507	11.3
57.07135	0.3
65.03938	6.3
66.04710	0.4
67.05498	100.0
67.34043	0.3
68.05821	2.1
69.07057	4.9
69.58138	1.0
69.58562	1.4
74.26212	0.3
79.05488	12.6
80.06277	1.2
81.03417	5.3
81.07049	28.1
82.06603	0.4
82.07385	0.7
91.05473	1.9
93.45128	0.3
94.04182	1.0
94.07821	1.3
95.04951	0.5
105.07022	0.9
107.04996	0.4
107.08583	2.8
109.02887	0.8
109.06516	3.5
109.10146	23.9
110.06052	2.5
110.07145	0.8
110.10483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02388	1.4
53.00295	0.8
53.03946	20.7
53.04206	1.1
55.01868	7.2
55.05511	13.0
61.62610	0.5
65.03939	13.4
66.04716	2.5
67.05502	94.3
68.05025	7.6
68.05838	1.5
69.03442	1.0
69.04554	0.6
69.07069	6.5
69.82961	3.3
79.05490	66.8
80.05018	1.1
80.05820	1.3
80.06266	0.9
81.02929	0.7
81.03417	20.7
81.07053	72.5
82.03760	0.9
82.06569	6.1
91.05479	17.7
92.04997	1.3
93.06197	0.5
94.04179	9.6
94.07807	1.3
95.04971	3.2
97.66858	0.5
107.04941	2.4
107.08601	3.3
109.02857	3.5
109.06515	100.0
109.07601	11.4
109.10152	31.3
110.06027	2.1
110.06947	2.3
110.10485	1.0
111.04434	1.1
115.30325	0.5
127.71388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02377	0.8
53.03946	4.5
55.01867	0.9
55.08240	0.3
57.13360	0.3
61.63631	0.3
63.02382	0.3
65.03938	17.5
67.05508	2.6
77.03931	1.2
79.05490	21.6
80.05006	1.7
80.05798	0.5
81.03416	0.6
91.05478	100.0
92.05796	1.7
92.06290	2.8
95.04963	10.6
103.05460	1.2
103.06096	0.3
105.04548	2.0
105.07027	25.4
106.07349	0.7
107.04952	20.3
107.06076	0.6
107.08589	19.6
108.04490	0.7
108.05264	0.5
109.06510	13.0
119.06064	4.7
124.05238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.557
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	8.3
81.07053	14.9
83.04982	0.4
83.08614	1.6
85.06530	0.4
91.05477	4.7
93.07038	9.7
95.04974	1.2
95.08602	13.0
97.06516	0.6
97.10159	0.6
98.06068	0.4
98.98450	0.3
99.08057	0.3
105.07031	2.3
107.08589	4.9
109.06519	0.5
109.10149	4.8
111.08048	0.3
117.06999	0.9
117.84914	0.1
119.08569	1.6
121.10138	4.0
123.08028	0.4
123.11684	1.4
124.01588	0.4
131.08563	1.4
133.10126	1.7
135.08054	0.3
135.11699	2.3
137.09583	0.2
137.13266	0.2
145.10136	0.9
147.11684	1.0
147.12709	0.2
147.14195	0.2
149.13243	1.0
159.11696	0.9
160.03297	0.2
161.13258	0.5
163.14857	0.2
173.13264	0.6
176.13875	0.2
187.14775	0.2
198.05243	0.3
205.15778	0.2
216.06339	0.6
261.22171	0.7
286.91278	0.2
304.26334	4.7
335.25778	100.0
336.26202	3.1
359.34317	0.2
386.23273	0.2
458.26505	0.6
476.27716	3.0
519.16144	0.2
1099.15027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01604	0.3
51.02378	0.4
53.03942	3.5
55.01862	1.0
55.05504	0.4
63.02369	0.4
65.03938	17.5
67.04242	0.4
67.05507	2.3
69.28753	0.6
69.29160	1.9
77.03922	0.6
79.05491	20.3
80.05021	2.0
80.05815	0.5
81.03413	0.5
90.04680	0.2
91.05476	100.0
92.05789	1.9
92.06260	3.1
95.04961	8.8
96.05294	0.4
100.07867	0.2
101.80426	0.2
102.24110	0.2
103.05473	0.9
105.04529	1.5
105.07027	27.2
106.06570	0.5
106.07358	0.5
107.04949	15.4
107.06082	0.9
107.08588	17.9
108.04507	0.4
108.05257	0.3
108.08144	0.2
108.08930	0.6
109.06512	13.8
110.06840	0.3
119.06067	3.9
124.05248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88351	0.3
51.02379	0.8
53.03942	5.5
55.01865	1.0
55.05509	0.9
57.66484	0.3
65.03937	19.2
67.05502	6.9
69.58233	2.6
77.03931	1.0
79.05489	54.2
80.05015	1.2
80.05834	1.3
81.03419	0.7
91.05476	100.0
92.05795	1.5
92.06268	3.8
93.05795	0.4
95.04959	13.4
103.05457	1.3
103.76490	0.4
105.04504	2.6
105.07024	23.1
106.06558	1.7
106.07310	0.6
107.04207	0.6
107.04946	14.3
107.08584	15.3
108.04502	0.6
108.08123	1.0
109.06516	9.8
118.06545	0.5
119.06061	2.9
124.05210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02387	0.6
53.03943	4.0
55.01864	1.0
58.63005	0.3
63.02348	0.4
65.03935	16.4
65.94516	0.3
67.04246	2.0
67.05498	2.7
69.25213	0.4
71.05395	0.9
77.03912	0.7
79.05489	25.2
80.05012	3.8
80.05770	0.5
81.03431	0.6
83.38792	0.3
85.35439	0.3
89.40243	0.3
91.05475	100.0
92.05736	1.8
92.06284	4.4
95.04964	8.9
102.12859	0.3
103.05462	0.8
105.04507	1.4
105.07023	23.4
106.06541	1.1
106.07291	0.6
107.04948	16.4
107.06081	1.3
107.08584	18.4
108.04492	0.4
108.05349	0.4
108.08126	0.5
108.08910	0.4
109.06507	12.9
119.06059	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03944	5.1
55.01865	0.7
55.05503	1.0
62.49815	0.2
65.03937	21.9
67.05499	7.8
67.76747	0.3
69.63288	1.9
77.03931	1.1
79.05489	53.9
80.05034	1.9
80.05819	1.1
81.03414	1.0
91.05477	100.0
92.05787	1.7
92.06262	4.7
93.05769	0.8
95.04963	14.1
96.05295	0.3
103.05471	1.5
105.04519	2.6
105.07024	23.6
106.06550	1.1
106.07310	0.5
107.04950	13.4
107.08589	15.4
108.04462	0.8
108.05261	0.4
108.08125	0.6
108.08897	0.5
109.06514	10.1
118.06566	0.3
119.06056	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02376	1.5
52.85766	0.4
53.03948	7.8
54.03466	0.4
55.01866	2.3
55.05521	0.7
55.30568	0.3
55.68795	0.4
56.96553	0.6
65.03938	17.4
66.03455	1.0
67.04248	6.5
67.05503	3.5
69.93330	1.1
69.93739	0.8
73.23535	0.4
74.48753	0.3
77.03924	1.8
79.01839	0.4
79.05491	42.5
80.05016	12.1
80.05782	0.8
81.03426	0.9
81.04530	0.8
91.05478	100.0
92.03754	0.9
92.05793	1.5
92.06294	2.8
92.65330	0.4
93.05783	0.4
95.04965	19.0
96.04485	0.6
103.05452	0.6
105.04530	3.3
105.07027	24.2
106.06543	1.8
106.07298	0.7
107.04953	37.5
107.06037	6.8
107.07355	1.0
107.08586	19.1
108.03193	0.4
108.04473	1.3
108.05643	2.0
108.08101	1.0
108.08884	0.6
109.06512	13.3
110.06861	0.5
116.14944	0.4
119.06065	4.5
121.02129	0.3
124.05191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01615	0.4
51.02377	0.6
52.75776	0.3
53.03942	3.6
55.01866	0.8
55.05914	0.2
63.02367	0.4
65.03938	16.5
66.03457	0.3
67.02995	0.2
67.04250	1.2
67.05499	2.8
68.01416	0.3
69.55988	2.2
77.03913	0.9
79.05490	22.1
80.05008	3.3
80.05802	0.4
91.05477	100.0
92.05727	2.0
92.06310	2.7
93.05780	0.3
95.04965	8.6
103.05459	0.8
105.04532	1.7
105.07027	25.1
106.04169	0.3
106.06555	1.5
106.07351	0.7
107.04200	0.6
107.04948	16.4
107.06021	1.7
107.08585	19.2
108.04478	1.0
108.05566	0.8
108.08110	0.7
108.08874	0.5
108.32867	0.3
109.06512	13.5
119.06065	3.7
124.05202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02386	1.0
53.03947	4.5
55.01876	1.3
61.66565	0.3
63.02372	0.4
65.03942	16.7
67.04256	0.4
67.05512	2.1
68.43194	0.3
69.39034	2.8
72.25909	0.3
73.33688	0.3
77.03933	0.9
79.05495	20.7
80.05022	2.6
80.05847	0.4
81.03435	0.6
88.06999	0.3
91.05483	100.0
92.05768	1.9
92.06299	2.7
93.05775	0.3
95.04973	10.7
103.05463	1.0
105.04528	1.9
105.07034	26.4
106.06561	0.8
106.07327	0.7
107.04955	27.9
107.06116	1.0
107.08593	19.7
108.04523	0.6
108.05306	0.4
108.08105	0.5
108.08947	0.5
109.06518	13.4
116.25323	0.3
119.06062	4.4
124.05209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02378	0.8
53.03946	4.2
55.05509	1.2
65.03938	18.9
67.05500	6.9
70.03673	1.8
74.35580	0.4
79.05489	50.2
80.05016	0.9
80.05813	0.9
91.05475	100.0
92.05785	1.6
92.06252	4.5
95.04964	10.8
103.05460	0.8
105.04499	1.7
105.07024	22.9
106.04137	0.4
106.06566	0.8
106.07339	0.8
107.04954	6.3
107.08588	14.1
108.04452	0.5
108.08917	0.4
109.06513	10.8
119.06057	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03945	5.7
55.01865	1.3
55.05507	0.6
62.91918	0.4
65.03939	18.4
66.04269	0.7
66.10780	0.4
67.05500	6.0
69.39822	0.4
70.18191	1.8
77.03919	1.3
78.04715	0.4
79.05491	49.0
80.05019	2.5
80.05811	1.0
81.03411	0.7
91.05478	100.0
92.05791	1.2
92.06287	3.4
93.05782	0.9
95.04967	14.8
96.04461	0.5
96.05305	0.6
103.05453	0.9
105.04524	2.2
105.07027	23.8
106.06549	1.8
106.07311	0.7
107.04951	24.1
107.08589	15.3
108.04454	1.7
108.05116	0.4
108.05569	0.4
108.08083	2.0
109.05789	0.8
109.06515	11.0
119.06078	3.1
120.68430	0.4
123.69718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03947	5.0
55.01882	0.6
55.05502	0.7
65.03941	19.8
67.05503	6.2
71.58533	0.8
77.03901	0.4
79.05492	49.3
79.17151	0.4
80.05016	1.5
80.05814	0.9
84.04910	0.3
91.05479	100.0
92.05795	1.9
92.06274	3.5
93.05765	0.5
95.04969	10.3
103.05478	1.0
105.04538	2.3
105.07029	22.7
106.06558	1.4
106.07323	0.6
107.04292	0.7
107.04960	8.1
107.08590	13.4
108.04475	0.9
108.05554	0.4
108.08118	0.7
109.06515	11.2
119.06066	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01591	0.4
51.02375	0.4
53.03945	4.0
53.61600	0.3
55.05510	1.0
63.02364	0.5
65.03938	19.2
66.04280	0.3
67.05178	0.6
67.05505	7.9
69.19237	0.3
69.80268	1.9
70.69672	0.3
77.03924	0.9
77.06876	0.4
79.05492	53.4
80.05016	1.3
80.05824	1.1
81.03413	0.5
91.05479	100.0
92.05746	1.7
92.06283	3.8
95.04963	9.2
98.20841	0.6
103.05459	1.1
105.04510	2.1
105.07026	24.2
106.06522	0.5
106.07333	0.4
107.04957	6.0
107.08594	14.6
108.04474	0.5
108.08126	0.8
108.08885	0.5
109.06509	11.0
119.06067	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	0.6
51.02372	2.5
53.03945	12.8
54.03473	0.3
54.04275	0.3
55.01868	2.9
65.03940	8.5
65.29548	0.3
66.03471	0.7
67.04245	8.3
67.05508	1.4
70.75963	0.9
77.03928	2.6
79.01905	0.4
79.05489	28.8
79.14148	0.3
80.05016	14.0
80.05808	1.0
81.03415	1.8
81.04530	0.6
91.05477	54.7
92.03744	0.9
92.05798	1.0
92.06296	1.4
93.05803	0.4
93.82681	0.3
95.04963	31.6
96.04491	0.9
96.05300	0.5
103.05458	0.5
105.04508	6.7
105.07025	14.9
106.06556	2.0
106.07269	0.4
107.04949	100.0
107.05985	5.9
107.08582	10.7
108.04482	0.8
108.05354	2.4
108.08117	1.3
109.06506	8.1
110.31776	0.3
115.71310	0.3
119.06046	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01589	0.4
51.02380	1.5
53.00313	0.3
53.03944	11.3
55.01870	2.9
56.96555	0.4
60.50000	0.2
65.01935	0.2
65.03927	1.0
67.04240	2.1
67.05495	0.3
67.58424	0.2
70.54797	0.6
77.03925	2.6
78.04713	0.3
79.01861	0.3
79.05491	18.3
80.05010	3.4
80.05814	0.6
81.03394	1.6
91.04895	0.4
91.05474	5.8
93.05804	0.4
93.15574	0.2
95.04965	26.3
96.05305	0.5
99.25818	0.2
105.04506	5.2
105.07021	1.2
106.06527	0.4
107.04950	100.0
107.08591	1.1
108.04530	0.4
108.05244	2.8
108.08106	0.4
109.06522	0.5
116.17500	0.2
119.06068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01588	1.3
51.02374	4.0
53.03945	26.3
54.22464	0.5
55.01865	5.9
55.67567	0.5
56.04060	0.6
58.62284	0.5
65.03941	9.9
67.05485	3.0
68.26113	0.5
71.58465	0.8
77.03916	5.0
79.05490	70.7
80.05010	2.3
80.05806	1.4
81.03411	3.0
91.05478	56.1
92.06275	1.5
95.04965	68.2
96.05315	1.3
96.19084	0.6
96.60160	0.7
97.25867	0.6
105.04512	11.8
105.07029	13.1
106.06556	1.9
106.07286	0.6
107.04950	100.0
107.08592	9.6
108.04467	2.3
108.05281	2.1
108.08116	2.0
109.06507	6.0
115.81053	0.8
118.06582	1.2
118.81685	0.6
119.06060	2.5
124.40028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01587	0.8
51.02378	1.7
53.03947	11.7
53.39098	0.3
54.48426	0.2
54.93512	0.2
55.01875	2.6
65.03941	8.0
66.55689	0.3
67.04250	0.4
67.05502	1.7
71.49915	0.6
77.03932	3.1
78.04685	0.4
79.05492	23.9
80.05023	2.0
80.05831	0.6
81.03410	1.5
91.05478	47.0
92.05791	0.8
92.06277	1.2
95.04966	29.7
96.05315	0.5
103.05493	0.3
105.04515	5.6
105.07031	12.1
106.06555	0.7
107.04951	100.0
107.08586	9.9
108.05247	2.7
108.08128	0.6
108.08852	0.4
109.06514	6.5
110.90418	0.3
119.06082	2.0
124.05214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01600	0.6
51.02380	2.0
53.03705	0.7
53.03947	11.2
55.01875	3.2
65.03941	17.0
67.04253	2.4
67.05508	3.5
69.93333	2.1
70.34228	0.4
77.03924	2.0
79.05492	36.5
80.05019	5.1
80.05786	0.5
81.03415	1.5
91.05480	100.0
92.03774	0.7
92.05800	1.5
92.06293	2.9
95.04968	28.8
95.49756	0.5
96.05316	0.6
98.21562	0.5
99.64274	0.5
103.05463	0.9
105.04522	5.2
105.07028	24.8
106.06574	0.7
106.07336	0.9
107.04955	91.3
107.06108	3.0
107.08591	20.3
108.04529	0.7
108.05334	1.5
108.08163	0.6
109.06515	13.7
109.81271	0.5
119.06070	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	1.4
51.02360	2.9
52.35257	0.6
53.03942	19.7
53.86658	0.7
57.13127	0.7
60.08141	0.9
61.08487	1.6
64.74261	0.7
65.03927	3.3
71.57384	0.8
72.93733	0.8
77.03925	4.4
79.05486	76.0
80.05833	1.2
81.03426	1.4
83.71082	0.8
87.00811	6.8
95.04962	45.5
96.04460	1.0
96.05260	1.0
103.05459	44.9
103.74783	0.8
104.05757	1.2
104.90810	1.4
105.03416	0.8
105.04510	8.9
105.07022	100.0
105.11065	2.5
106.06553	3.3
106.07384	2.0
120.90121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	0.4
51.02386	1.6
53.03943	10.3
55.01867	2.6
56.96558	3.0
58.23777	0.3
61.04845	0.4
61.08478	0.3
65.03934	1.8
67.05499	0.3
71.57034	0.3
72.05318	0.5
77.03921	2.3
79.01830	0.3
79.05488	18.5
80.05011	1.4
81.03423	1.9
84.01572	0.3
91.05475	8.2
92.06249	0.3
93.05791	0.8
95.04963	26.5
96.04491	0.4
96.05290	0.6
100.02461	0.8
103.23734	0.3
105.04520	5.3
105.07024	1.6
106.06537	0.6
107.04949	100.0
107.08518	1.2
107.11475	0.6
108.04456	0.8
108.05291	2.2
108.08116	2.0
109.06524	1.5
118.03534	0.7
119.06055	0.3
120.79193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.7
51.02378	2.7
53.03947	15.2
55.01873	4.1
60.83607	0.4
61.54035	0.5
65.03938	15.6
66.03462	1.0
66.04260	0.5
67.04246	7.5
67.05499	3.2
70.82911	0.9
70.83221	0.5
75.83559	0.4
77.03927	2.7
78.04697	0.5
79.05492	51.8
80.04565	0.9
80.05019	14.6
80.05778	1.2
81.03426	2.4
91.05479	88.8
92.03755	0.9
92.05795	1.8
92.06300	2.7
93.05804	0.5
95.04968	39.7
96.04512	0.7
96.05296	0.5
103.05425	0.5
105.04517	6.1
105.07028	22.0
106.06566	2.7
106.07317	0.7
107.04953	100.0
107.05996	7.2
107.08588	18.2
108.04472	1.3
108.05325	2.3
108.08098	1.6
109.06516	10.7
111.14761	0.4
119.06059	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01595	0.9
50.37933	0.7
51.02380	3.6
53.03944	19.0
55.41650	0.7
61.32132	0.7
65.03931	2.1
70.46483	1.1
70.46844	2.5
77.03931	4.8
79.05492	66.7
80.05813	1.0
81.03416	1.2
87.00831	8.5
92.74535	0.7
95.04966	43.7
96.04503	1.0
96.05252	0.7
98.21409	0.8
103.05465	43.8
104.05780	1.4
105.01852	0.8
105.03371	2.1
105.04523	9.9
105.07027	100.0
105.11071	1.2
106.06599	1.1
106.07370	3.4
110.70111	0.7
116.75133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	3.2
52.75574	0.9
53.03946	18.8
56.18700	0.9
64.02097	0.9
65.03915	2.6
66.73816	0.9
67.17795	1.0
68.82439	0.9
71.37436	1.3
71.37778	1.4
77.03896	6.1
79.05487	66.3
80.05810	1.7
81.03419	1.9
87.00819	1.0
95.04960	43.1
97.89579	0.9
103.05463	40.8
105.04523	8.3
105.07023	100.0
106.07352	2.2
107.96530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01020	1.0
51.02371	3.6
53.03714	1.3
53.03945	18.1
53.78915	0.9
55.01862	1.6
56.13308	0.9
56.96520	1.0
61.08496	2.2
65.03935	3.4
70.14299	3.9
70.14712	2.2
77.03937	5.8
79.05491	68.2
79.19337	0.9
80.05811	1.5
81.03460	1.2
87.00830	3.7
95.04963	46.8
96.04521	1.3
103.05467	44.8
103.06152	2.4
104.90816	1.3
105.03430	2.1
105.04528	11.6
105.07026	100.0
105.11084	2.8
106.06576	2.3
106.07357	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.7
53.03707	1.3
53.03947	21.0
55.01868	1.6
65.03912	3.0
69.33866	11.1
77.03906	4.4
79.05491	74.1
80.05801	1.3
81.03413	2.1
83.42049	1.0
87.00832	6.9
88.03539	1.0
91.05467	1.1
95.04964	43.2
96.04528	1.1
103.05468	44.8
104.05786	1.2
105.04528	8.8
105.07026	100.0
106.06537	1.1
106.07350	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01586	1.3
51.02374	2.6
52.26566	0.6
53.03711	1.4
53.03944	19.7
55.01859	1.3
62.27938	0.8
64.92775	1.0
65.03940	7.8
67.76169	0.7
70.03223	3.5
77.03933	4.1
79.05489	64.3
80.05833	1.6
81.03419	1.2
95.04964	40.6
96.04496	1.8
96.05264	0.9
103.05464	43.9
104.05769	1.7
105.03422	0.8
105.04517	9.2
105.07025	100.0
106.06528	2.8
106.07369	3.3
118.06538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02381	4.0
53.03945	17.3
59.34280	0.9
64.92780	0.9
65.03927	2.7
77.03925	4.8
77.09895	0.9
79.05489	67.8
81.03427	2.2
82.47154	0.8
87.00834	3.3
90.72738	0.8
91.05464	1.1
95.04960	35.5
96.05242	0.9
103.05463	46.0
104.05769	1.3
104.90824	1.1
105.04514	8.7
105.07023	100.0
105.11095	1.5
106.06567	0.9
106.07365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.9
51.02372	2.7
53.03944	17.5
55.01861	1.3
60.71078	0.7
61.08491	1.2
62.59009	0.6
63.35398	0.6
65.03925	2.9
71.57002	0.9
77.03929	4.6
79.05487	65.9
80.05820	1.4
81.03402	1.5
87.00816	5.3
91.05468	0.7
95.04964	45.6
96.04478	1.4
96.05255	1.1
103.05460	42.6
104.05750	1.6
104.90807	1.1
105.03376	1.7
105.04511	11.0
105.07022	100.0
105.11064	3.0
106.06548	3.8
106.07364	3.2
116.35016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
51.02378	6.2
53.03945	34.7
53.20328	0.5
55.01862	1.8
56.05033	1.0
57.05354	0.7
57.30888	0.5
58.02955	0.7
58.06588	1.8
59.06131	1.8
60.04514	0.6
60.08154	2.3
60.95844	1.4
62.06086	3.4
63.82898	0.5
69.81876	3.7
75.05580	0.6
75.72000	0.6
75.75998	0.5
77.03931	8.5
81.03402	3.7
85.07680	1.1
86.06049	2.0
95.04964	76.2
96.05268	0.8
98.21468	0.9
102.04678	6.8
103.05464	100.0
103.08684	6.0
104.05820	2.7
104.10738	4.3
105.04518	13.4
116.59387	0.5
120.97973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.5
56.96560	2.6
58.06597	8.9
59.07380	2.4
60.08160	72.5
60.25480	0.2
61.08492	0.6
69.03430	0.6
69.51991	1.0
69.52424	1.0
72.91557	0.2
73.30320	0.2
74.06075	0.4
86.06071	0.5
86.09710	0.3
87.04458	1.1
95.01334	0.6
98.21585	0.3
104.10735	100.0
104.90800	0.4
105.11069	1.2
109.02917	0.3
113.36732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	8.1
59.07375	2.9
60.08161	73.6
61.08491	0.5
64.84834	0.2
66.46860	0.2
69.03431	1.4
70.09612	1.2
70.09977	0.3
77.57732	0.2
81.22852	0.2
86.06075	0.6
87.04461	2.7
88.07612	0.3
104.10738	100.0
105.11075	1.5
109.76226	0.2
117.07177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01590	1.3
51.02372	3.1
52.30148	0.8
53.03710	1.2
53.03945	17.9
57.03467	0.8
62.54490	0.9
64.95528	1.0
65.03939	6.2
69.72872	1.0
69.73277	4.8
70.35992	0.9
77.03939	4.7
77.63980	0.8
78.03447	1.0
79.05488	64.1
81.03410	2.0
91.48228	1.2
95.04961	37.1
96.04480	2.4
96.05295	0.8
96.12114	0.7
100.48701	0.9
103.05462	41.6
104.90777	1.9
105.03379	1.7
105.04510	10.2
105.07027	100.0
105.11083	2.3
105.24045	0.9
106.06550	3.3
106.07365	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
54.99831	0.5
55.01895	0.6
56.05036	20.4
56.96568	12.3
58.06597	0.6
58.96164	0.8
58.99848	0.5
59.06135	1.1
59.96181	7.2
60.04531	1.7
60.06469	0.7
60.95853	100.0
60.99609	3.2
62.06086	0.7
65.03902	0.6
67.05507	1.0
69.03426	0.5
70.84277	1.6
71.95284	0.5
74.06084	1.1
74.09731	0.6
74.94911	0.6
75.94550	7.3
77.00918	0.7
77.75103	0.5
78.46923	0.6
78.52961	0.8
78.96867	1.1
79.00665	1.9
79.01856	1.4
79.02725	0.6
80.03520	0.8
81.03445	1.7
82.01440	1.2
82.05313	2.5
83.06102	2.3
84.01193	4.0
84.01510	0.4
84.04503	2.5
84.08169	0.6
85.02901	1.0
87.01053	0.6
88.02357	3.1
88.51669	0.5
91.54257	0.6
92.52882	0.6
94.54282	0.6
95.04963	0.9
97.01698	0.9
97.02375	0.6
97.02901	3.4
97.03847	0.6
97.06387	0.7
97.52116	0.6
98.06046	0.8
100.02489	8.3
100.05047	1.0
101.02588	1.1
101.97202	1.4
101.98448	0.6
102.00971	2.6
102.02238	39.7
102.05554	1.5
102.09185	1.2
102.12830	1.1
102.91160	0.6
102.96876	12.3
103.00629	0.9
103.02518	0.6
103.08719	1.0
106.14022	0.5
115.01186	0.6
118.00990	0.7
118.03518	6.5
119.01924	2.7
119.98223	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08628	7.9
81.07055	4.1
83.08622	2.5
85.10169	4.7
89.06006	0.4
93.07035	0.4
95.08598	7.1
95.45340	0.4
97.10162	2.0
98.21566	0.7
98.98461	3.8
109.10151	2.7
111.11690	0.6
117.09195	0.3
123.11677	1.3
124.01569	0.8
142.02644	0.8
155.01022	4.1
173.02074	0.7
198.05261	1.5
216.06297	2.8
223.26881	0.3
239.23688	1.0
257.24609	0.5
282.27902	9.4
313.27350	100.0
314.27698	2.4
351.12247	0.4
393.23993	8.1
436.28214	23.0
437.28329	0.5
454.29282	26.8
455.29349	0.8
738.11731	0.4
858.89520	0.5
961.28375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58840	0.8
56.05027	5.9
56.96569	5.2
58.05346	0.8
58.96175	5.6
59.06125	7.9
59.96147	0.9
59.99941	1.0
60.04515	2.7
60.95834	2.4
64.02191	0.8
65.19039	0.7
70.77817	0.7
71.39430	1.5
83.01524	1.1
83.06121	0.8
84.04500	1.3
94.05077	0.7
100.02460	1.7
100.97204	1.7
100.97937	0.7
101.00883	14.3
101.02540	8.4
101.07162	2.3
102.00965	0.9
102.02256	4.1
118.03511	0.9
118.98235	1.6
119.01922	100.0
119.03640	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06592	1.4
71.04974	0.3
71.57166	0.3
72.08131	0.8
72.63811	0.2
73.02921	0.4
75.90633	0.2
78.80827	0.2
81.03407	3.7
84.04526	0.3
84.08140	0.8
85.02897	4.2
85.03375	0.4
86.09710	0.6
87.00823	1.9
89.03928	0.4
91.05466	0.4
93.07037	0.2
97.02886	1.9
99.04446	0.7
102.14595	0.2
105.01868	0.8
107.04973	0.3
109.02869	2.1
110.07148	0.6
111.00805	0.4
117.01837	0.4
119.04945	0.3
120.08107	0.8
121.02853	0.9
123.04430	0.5
127.03907	3.2
129.01790	0.3
129.10252	0.6
133.10132	0.3
135.04390	0.7
136.07571	0.7
137.02336	11.9
137.03397	0.8
139.03920	0.3
145.02832	0.5
145.04930	0.8
147.04425	0.3
148.73872	0.2
149.02353	0.6
151.03882	0.3
153.01819	9.3
155.08113	0.3
159.02896	1.2
161.02365	0.6
163.03911	4.1
165.01826	0.5
171.02896	0.5
173.04790	0.2
175.03925	0.3
177.05499	0.4
183.02968	0.3
187.03917	0.4
188.64299	0.2
199.03833	0.4
203.03371	1.6
205.05025	1.0
207.02859	1.6
213.01891	0.3
217.04980	0.9
222.92702	0.2
227.03424	0.7
228.04340	0.3
229.04939	0.9
231.04924	0.2
239.03519	0.2
243.02956	0.7
245.04312	1.5
253.04955	0.3
255.02834	0.6
257.04483	0.6
263.07135	0.2
265.04993	0.4
267.02847	0.3
269.04425	0.7
271.02451	1.4
273.03867	2.6
273.06241	0.2
274.04694	0.2
279.06613	0.5
281.04453	0.4
283.02478	0.3
283.06116	0.3
284.03217	0.3
285.03796	1.6
287.05521	0.4
293.04480	0.4
293.07654	0.3
294.05322	0.3
295.02628	0.3
295.06052	0.6
297.03909	3.0
298.04611	1.5
299.02072	0.3
299.05499	0.5
301.03354	1.1
302.04236	0.8
303.04807	3.0
305.04593	0.3
307.05728	0.4
309.03891	0.2
311.05447	0.8
313.03360	1.6
315.04858	1.9
319.06165	0.7
321.03845	0.6
321.07507	0.4
323.02127	0.2
323.05560	0.5
325.03394	0.7
327.04883	0.2
331.06137	0.5
335.05545	0.9
337.03381	0.6
339.05014	1.2
341.06458	1.9
343.04663	0.3
347.05463	2.0
349.07031	0.6
351.05130	0.3
353.06659	0.3
361.07132	0.3
363.04865	0.7
365.06592	1.0
366.07202	0.3
367.04453	0.4
375.05112	0.7
377.06601	1.0
379.04617	0.7
381.06082	0.6
382.06918	0.3
385.06949	0.3
391.04459	0.6
392.05338	1.4
393.02243	0.2
393.06186	1.9
395.07648	0.4
397.06808	0.2
403.04047	0.4
405.06174	0.5
407.03799	0.4
409.05832	0.6
410.06406	0.7
411.07056	0.6
413.06573	0.6
419.03400	0.3
421.05426	3.4
423.07098	0.8
431.08261	0.3
437.05783	0.4
441.05865	0.5
445.05679	0.7
447.03674	0.2
449.04614	0.3
451.06430	1.2
453.04642	1.4
455.07361	0.3
459.07147	0.6
463.06534	0.3
465.05246	0.4
467.06760	0.4
469.05237	0.5
483.07123	0.6
487.06650	2.5
501.07974	1.2
511.06577	1.1
515.06287	0.8
529.07623	1.8
539.05945	0.4
547.08630	4.4
557.07355	0.6
575.07996	1.4
583.94440	0.2
585.06598	0.4
603.07635	100.0
604.07977	3.1
627.07629	0.9
645.08691	0.7
711.09784	0.5
930.29492	0.2
END