#DEFINITION	Reference Metabolome for Brassica oleracea Capitata Group
#IDENTTFIER	RefMeta-Brassica oleracea Capitata Group.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Brassica oleracea Capitata Group
#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 Brassica oleracea Capitata Group was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.221
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
96.78297424	0.22
107.1113968	0.89
113.0965347	0.74
117.1237946	0.37
122.9256439	0.80
124.9170151	1.95
135.0102844	0.54
137.0075073	0.57
139.1833496	1.01
143.0215454	0.43
147.7662201	0.21
148.9522095	1.12
156.9171753	3.01
163.0717316	0.31
165.1756592	0.27
167.0337219	0.43
169.1488953	0.90
171.3824768	0.29
174.5044098	0.16
177.0623932	0.47
179.2158508	2.56
181.2383728	1.04
183.0592651	1.71
189.1313934	0.78
190.8449707	0.44
193.1508484	0.74
194.8666382	0.70
199.1626587	2.07
203.0374298	0.28
205.1091003	0.80
209.3892517	0.65
211.1739807	2.68
212.7883911	1.01
214.9712219	0.37
217.0926819	1.14
223.0434265	0.74
223.9676514	0.19
227.1788635	0.84
229.4116516	1.23
232.9740601	0.82
237.100708	1.84
239.1612549	2.24
240.3913574	0.67
241.2677612	0.21
243.0279846	0.16
247.4865417	0.51
249.3934631	1.02
250.2489624	0.67
251.1749573	1.55
253.1479187	7.13
255.2630005	0.10
257.0705566	0.44
265.0987549	1.93
266.0921631	0.57
267.1512146	1.58
268.1927795	0.42
269.9164124	4.40
275.2489014	11.02
277.1775513	0.70
281.230957	0.26
281.8554077	0.24
283.1077881	3.27
287.8787231	0.42
290.2322998	0.60
290.8530884	1.68
293.2126465	100.00
294.0367126	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.08
Annotation	Unknow
Peak:m/z	Relative Intensity
96.8558044	0.15
105.0292664	0.38
139.1510315	0.37
144.9279175	0.06
148.9504395	0.21
150.8174438	0.19
166.0679626	0.29
166.9619751	0.13
174.9791870	0.12
176.8701172	0.20
179.2221680	0.06
184.7785950	0.17
186.7118530	0.16
191.3078613	0.06
193.1103210	0.21
202.9687500	0.17
205.1990967	0.22
206.0973816	0.30
210.0285950	0.04
211.0781250	0.13
214.9930115	0.06
218.3895569	0.38
221.0026550	0.55
223.0270081	100.00
235.1611328	0.31
239.3537292	0.36
246.3092041	0.14
247.9733887	0.11
249.5896301	0.27
250.8598633	0.32
252.9871216	0.21
261.2544250	0.14
265.0494080	2.35
266.3656616	1.15
267.1770630	2.11
268.0515137	0.12
273.1151123	0.06
274.5817261	0.13
275.3022766	0.13
279.2318115	0.19
291.2898560	1.01
293.1680603	3.23
296.1187744	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	436.0409
Annotation	Glucoraphanin
Peak:m/z	Relative Intensity
128.9306641	0.36
130.1289825	0.04
145.0282135	0.07
163.0438385	0.14
177.0798950	0.39
177.9196777	0.90
194.1704407	0.55
194.9763794	0.07
209.8880005	0.02
223.0915222	0.24
227.1371002	0.53
241.2783813	0.10
243.0470276	0.08
258.0103760	0.80
259.1186523	4.68
260.0019226	0.10
275.0111084	1.25
291.0563965	1.19
314.1399536	0.24
332.1005249	0.05
345.7879028	0.06
356.1453552	0.82
357.0910645	0.09
372.1487122	100.00
372.7550659	0.11
391.1069031	0.14
402.2437439	0.08
421.0311584	3.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	282.119
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
139.9864807	0.11
149.9667816	100.00
150.8682709	0.10
156.1177979	0.07
170.9935760	0.10
182.8306885	0.15
192.0417786	0.73
193.2977905	0.03
199.9414978	0.10
206.8971863	0.17
211.3157043	0.07
218.0045776	0.37
222.2289734	0.03
226.1559448	0.04
235.0238953	0.04
235.8700867	0.58
241.0300293	0.31
246.2772827	0.06
247.2262573	0.14
254.0986328	0.05
263.7557678	0.64
265.8274536	0.14
272.7687988	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0875
Annotation	Scopolin
Peak:m/z	Relative Intensity
110.9444122	0.13
112.8774033	0.05
117.2095795	0.02
126.7918167	0.05
133.0718079	0.10
134.9888153	0.81
143.1260986	0.05
155.1702881	0.05
160.0990601	0.01
161.0542908	0.36
165.3143005	0.03
173.0449829	5.86
179.0646820	7.56
183.1419067	0.02
191.0315399	100.00
206.1981201	0.03
208.0863190	0.03
217.9837646	0.02
234.1282043	0.01
238.0566101	0.01
249.0944214	0.08
250.1755981	0.03
253.8121948	0.02
255.0603638	0.02
261.5300293	0.11
263.0405884	0.15
268.2654419	0.04
273.2963867	0.03
278.3410645	0.10
289.2158203	0.02
292.9902954	0.14
307.1004944	0.13
309.1411743	0.16
315.1139526	0.05
317.2491455	0.04
334.3029785	0.04
335.2466431	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	472.9245
Annotation	Unknow
Peak:m/z	Relative Intensity
198.9927673	0.01
201.0252075	0.01
216.9944763	0.05
245.1189880	0.10
272.8295898	0.07
356.9731445	0.03
357.9842834	0.04
358.9333496	0.20
361.1675110	0.02
398.8579407	0.03
400.9861145	0.01
426.9871216	100.00
428.0299988	0.09
429.1019287	0.39
444.1665649	0.01
445.2395325	0.05
446.3437500	0.01
455.5463562	0.09
462.3397522	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	437.97
Annotation	Unknow
Peak:m/z	Relative Intensity
129.9603882	0.06
146.1249542	0.10
174.9264526	0.10
176.8854370	0.21
179.1403809	0.04
200.7586060	0.01
218.9655762	0.58
225.2126923	0.07
227.1668243	0.07
235.8008118	0.03
237.1062012	0.53
239.1766663	0.02
241.2102661	0.03
243.2441711	0.09
244.2741699	0.03
244.8894653	0.05
249.4554443	0.03
252.1121521	0.06
259.0196533	0.05
263.7126465	0.03
272.9717407	0.58
275.1462402	0.15
275.9825439	0.23
279.3699341	0.02
283.1182251	0.16
289.0999451	0.02
290.1168823	0.43
291.0977783	2.07
292.4257812	0.03
295.1589355	0.08
303.0966797	0.09
303.9417419	0.55
304.6450500	0.05
307.1016541	0.15
308.1674194	0.33
309.1793213	0.55
312.6629639	0.10
313.2884216	0.14
320.0128479	0.06
322.2332153	0.15
330.9738770	0.99
332.1793213	0.20
333.1265259	0.14
334.1080933	0.02
336.9196167	0.29
337.9968262	0.23
339.0894775	0.59
342.0662231	0.04
344.3610840	0.08
345.0020752	0.05
348.0130615	0.45
349.0644836	0.05
356.8516846	0.37
357.9948120	0.71
362.5551147	0.55
363.2578735	0.18
364.1497803	0.03
367.4710083	0.04
372.2321167	0.03
373.3119812	0.10
374.8852844	0.77
375.9962463	0.28
377.0877991	0.03
377.7510986	0.21
387.2238159	0.11
392.0858154	0.10
393.9682312	100.00
394.5891418	0.19
400.8914490	0.85
402.0707703	0.54
406.3116150	0.36
418.9981689	12.37
420.0533752	4.67
421.2868958	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	273.96
Annotation	Unknow
Peak:m/z	Relative Intensity
114.9723358	4.67
116.0153961	1.14
131.0035706	0.23
132.0348206	0.08
158.9242554	100.00
160.0116425	33.67
198.9757690	1.33
200.0122070	0.96
217.0549622	0.53
218.0957947	0.42
220.2042542	0.08
228.9696960	18.91
230.0214233	14.09
241.9980774	0.05
245.1150513	0.09
246.1389160	0.35
254.7066040	0.04
273.8312378	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.1383
Annotation	X 14847
Peak:m/z	Relative Intensity
103.1634140	0.54
117.9041138	100.00
129.8149261	0.10
144.0007782	0.40
176.9709320	0.35
180.0849609	1.37
181.7986450	0.10
188.8368683	0.61
205.2135468	0.35
212.8132019	0.11
222.0036011	0.56
232.3563843	0.37
234.0254211	0.57
253.2880249	0.34
254.0344849	0.73
262.0900574	0.22
283.1936951	0.10
284.0393372	0.16
294.0765686	0.12
296.1950989	0.68
299.0835266	0.62
305.7389832	0.53
306.6145020	0.61
311.3091431	0.31
312.0903015	0.12
314.0994873	0.68
322.0619507	0.34
323.9643555	9.43
325.1031799	0.48
328.9759216	0.12
333.1155701	5.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
129.0751648	1.75
151.1703644	0.30
167.127655	0.35
171.0110168	1.85
172.911972	1.49
175.0244141	0.51
185.2219086	0.36
187.0197144	1.84
188.9615784	0.28
199.1217651	1.89
201.1239777	2.16
213.0838928	1.58
215.1107483	1.51
227.1577148	1.37
229.1513367	4.04
231.2076721	1.61
235.3156433	0.65
241.3105164	0.28
243.0059204	2.68
245.0527344	0.78
249.0614014	0.79
255.3279114	3.14
257.1913147	4.08
263.3290405	3.40
269.2608643	0.29
271.2409058	1.66
273.1651001	0.64
277.3408203	0.31
283.352478	0.70
285.195282	6.69
287.2229614	1.48
289.5967407	0.37
295.2948914	0.25
297.2217407	3.99
297.9247437	0.80
298.6462402	0.39
299.2926025	5.77
301.385437	0.42
313.4475098	2.95
315.3354187	4.63
321.0801697	1.49
321.8417664	0.61
323.3279419	3.68
329.0337219	3.67
339.246521	100.00
339.9247131	0.33
341.2993469	15.51
342.0123291	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	885.01
Annotation	Unknow
Peak:m/z	Relative Intensity
259.1491089	0.08
260.1855164	0.11
261.0344543	0.12
275.2053833	0.59
279.1626587	0.16
291.0208740	0.18
342.0093079	0.11
358.0936279	5.49
359.0245667	4.64
360.1903381	0.53
407.9344482	0.67
422.1193237	100.00
423.0690308	81.48
424.1500244	18.59
612.2734985	0.15
663.9935303	0.04
756.6291504	0.20
786.2218018	0.03
819.6108398	0.51
840.4326782	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	522.9772
Annotation	Unknow
Peak:m/z	Relative Intensity
183.5801849	0.01
344.6536865	0.04
345.2857666	0.03
346.1790161	0.01
358.1147461	0.16
360.9369507	0.02
388.2081299	0.04
391.8984375	0.03
395.0132446	0.02
398.2871094	0.02
402.2695312	0.02
403.1528320	0.02
422.0915527	100.00
424.0485229	0.04
431.7787476	0.01
443.3765869	0.04
458.1093750	0.02
459.1408081	0.17
463.4580688	0.04
476.1154175	0.01
477.2338867	0.17
478.1652222	0.04
478.8597412	0.02
491.2030029	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	589.9
Annotation	Unknow
Peak:m/z	Relative Intensity
231.9851837	0.09
245.9972687	0.16
273.1064758	1.51
274.0552368	0.94
274.7335205	0.22
276.1968689	0.12
361.1622314	0.09
389.7912598	0.05
426.9841919	1.03
427.9864502	1.55
429.0361328	3.18
430.1688843	0.53
434.0363159	0.23
441.6847534	0.19
456.1346436	0.12
457.0547485	0.17
469.2396851	0.27
473.1895142	0.57
473.9847412	1.15
474.9594727	2.91
475.9584351	1.36
493.2255859	0.12
497.1551514	0.05
502.8837280	0.36
503.5134277	0.16
504.9724731	0.19
515.2755737	0.14
517.0186768	0.18
540.8296509	0.64
542.8875122	100.00
543.9472046	53.33
544.9377441	0.16
558.2322388	0.11
559.0982056	0.28
560.9728394	0.84
561.7905273	0.07
576.8973389	0.21
598.1184692	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	329.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
97.1374512	0.06
109.0437622	1.84
127.0273132	8.65
127.9913101	1.88
144.9719543	100.00
146.1718292	0.21
154.0829163	0.18
154.9898987	0.03
166.3032684	0.03
176.0189056	0.02
187.3470459	0.02
193.0501709	0.05
207.8927155	0.11
210.4047241	0.04
223.9855042	0.11
225.0623474	0.03
226.8193054	0.08
236.1294861	0.05
237.7018127	0.03
245.0561829	0.17
253.0987549	0.08
254.0640564	0.13
268.1750488	0.10
269.0205688	0.19
284.2342529	0.03
285.0458069	0.07
311.0972900	1.49
312.1966553	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.225
Annotation	Lactulose
Peak:m/z	Relative Intensity
281.0726318	0.02
339.2215271	0.18
341.1523438	100.00
429.3139648	0.05
443.1031494	0.11
494.1555786	0.08
502.5587769	0.17
503.2871704	0.03
521.1271973	0.24
593.2344360	0.17
623.2269897	0.15
664.9849243	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	889.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
251.7883911	0.11
265.1894531	0.25
271.1764832	0.09
277.1065979	0.08
285.2259521	0.12
299.5521851	0.12
315.1889343	1.79
316.2730713	0.08
329.1269531	7.29
330.2368774	2.11
337.1977844	0.12
345.2679443	0.34
352.1970520	0.29
359.0590210	0.90
360.1963501	0.22
367.2257080	20.62
368.2084351	4.45
387.3670654	0.52
401.4086304	0.04
411.2264404	0.10
459.2235718	0.36
469.4078979	0.11
473.1184082	0.33
474.2130737	0.39
489.0375366	0.15
491.3028564	0.18
499.4574585	0.25
503.2864380	0.29
504.4368896	0.24
507.3557129	0.27
516.1332397	0.06
520.4121704	0.15
521.3877563	0.05
522.2988892	0.12
529.2468872	0.08
565.1183472	0.04
566.1500854	0.05
575.4221802	0.21
607.5949097	0.35
665.2559204	0.11
697.3257446	10.04
698.4089966	6.21
709.4820557	0.34
710.5220947	0.07
713.2136841	0.12
723.3328857	0.25
724.3457031	0.05
727.2954712	100.00
728.2862549	44.78
728.9303589	0.15
739.2919922	0.26
740.1105347	0.23
759.5667114	0.09
761.7930298	0.32
769.2899780	0.12
770.5183716	0.09
811.6096802	0.04
828.1866455	0.36
829.1527710	0.09
830.1563110	0.34
842.1646729	0.13
846.3547974	0.04
853.7618408	0.06
859.1974487	0.15
871.3023071	0.33
872.0308228	0.15
874.1447754	0.28
875.5674438	0.09
890.8626709	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
101.0993500	3.62
102.9205627	0.11
107.7912064	0.06
110.9215088	0.31
112.9683228	9.21
115.0296326	0.40
116.8011627	0.13
122.9660492	0.07
127.0463257	0.04
130.9853210	0.08
157.0341492	1.33
164.0500183	0.26
171.2611694	0.07
172.1820221	0.27
174.9476166	4.51
183.0324554	0.49
189.2763062	0.09
193.2009277	0.04
205.0980225	0.63
209.0541077	0.08
214.8025208	0.18
222.9713135	0.25
224.1062927	0.28
231.1257629	7.94
237.2335815	0.09
246.2501526	0.26
249.0998840	100.00
262.9977417	0.31
267.1518555	3.10
273.9486084	0.05
275.3133545	0.92
288.3872681	0.09
289.2652588	0.11
290.1739807	0.41
291.2166748	2.77
293.1168213	0.04
303.1834412	0.03
305.1667480	0.55
307.1649170	11.89
310.2590942	0.15
315.2795105	1.42
316.1433105	1.31
318.3303223	0.19
322.9798889	0.15
333.2074585	21.08
334.3715515	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
108.9711151	0.73
117.0579681	0.50
141.2383728	0.48
152.9328766	0.35
157.2007446	0.71
159.3271637	0.36
168.9863586	0.70
171.0981903	1.62
178.04216	1.00
185.2681274	0.23
187.0256348	1.94
198.9955139	0.40
201.1478577	0.42
213.1306152	0.68
215.2549133	1.41
218.9704895	0.30
224.9741211	1.05
227.1733093	3.35
229.0216675	2.79
231.3673401	0.74
233.9919434	0.70
243.1661987	2.79
244.8845215	0.52
256.1403503	0.17
257.2773438	1.44
258.2709656	0.39
259.2801208	1.31
260.1488037	1.04
262.0135803	1.47
267.0148621	0.91
269.3008118	2.61
270.1308594	0.59
271.5587769	2.58
273.0997314	1.27
277.3808594	0.67
285.250061	3.51
287.5733032	0.78
293.1949463	0.51
297.1442871	0.93
299.3728638	1.01
311.3565674	3.94
312.3468933	1.86
313.0078125	6.01
314.425415	0.87
315.4692993	3.45
321.3720703	1.63
321.9798889	1.58
323.3735352	6.03
325.1498413	0.50
327.1001587	2.44
329.5005493	0.14
337.3377991	0.39
339.2423706	100.00
340.0022583	2.48
341.3947754	20.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	611.1445
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
175.2469635	0.29
177.1417236	0.18
179.0305023	2.14
181.9253998	0.16
185.0816040	0.34
192.1642456	0.51
196.9523010	0.89
203.2708282	0.12
209.9610138	2.19
210.8977661	0.41
213.1159821	0.15
227.9488983	0.39
237.0543213	0.06
241.9195862	0.19
252.2750549	0.06
254.1226654	12.25
260.3311768	0.11
263.0015869	0.29
272.1547852	31.62
286.1594543	0.41
288.1918945	4.13
304.1498413	13.75
306.1905518	100.00
320.3582764	0.12
338.0916748	42.15
338.9036255	0.06
353.2382812	0.14
361.3108521	0.14
464.2213745	2.83
482.2230835	29.94
527.3187256	0.48
559.3743286	0.17
575.3077393	0.29
593.2048340	16.43
594.0513306	0.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	351.1016
Annotation	Allantoic acid
Peak:m/z	Relative Intensity
114.9095154	0.16
132.0079041	20.05
143.1655121	0.57
157.1631470	0.28
158.1054535	0.25
174.9377136	100.00
183.0036926	0.44
188.1514893	0.11
204.9613495	0.91
235.7796021	0.20
238.9427185	0.15
264.3090210	0.16
265.1127930	0.12
277.0168457	0.31
289.1221924	0.97
291.0484314	7.90
305.2028503	0.45
307.9963989	0.50
333.1768188	1.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	451.12
Annotation	Unknow
Peak:m/z	Relative Intensity
144.9709930	0.09
236.1519470	0.03
250.0027161	0.27
268.3358765	0.18
279.1515503	0.14
281.4168091	0.17
286.2989502	0.18
304.1637573	0.20
313.4244385	0.11
315.1035767	0.12
343.6401672	0.05
391.3074646	0.04
415.2748108	100.00
433.1302185	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	308.0985
Annotation	O-Acetylneuraminic acid
Peak:m/z	Relative Intensity
100.7011871	0.07
113.0123596	0.19
115.0261078	0.07
119.0308838	0.09
127.9609680	100.00
128.7997894	0.23
129.7281647	0.04
130.6050415	0.07
133.0793457	0.29
133.9797821	0.23
142.8646240	0.27
143.8160400	0.16
145.0634460	0.06
146.1232300	0.16
147.0805817	0.14
161.1385651	0.17
161.9497986	0.28
170.9936371	0.09
178.9932556	2.36
180.0847015	0.03
185.1246185	0.18
198.1175842	0.05
200.9447021	0.02
204.0944824	0.23
214.9288635	0.05
218.1242065	0.10
224.3989868	0.05
229.8258972	0.06
232.2420654	0.17
235.1307678	0.37
237.2837524	0.04
244.0699158	0.19
246.1972961	0.08
247.5045471	0.17
254.0976562	1.42
255.1321411	1.18
256.3074646	0.63
262.1855469	0.06
263.1751709	0.18
263.9550781	0.56
272.1672974	1.77
273.1942139	1.92
274.2274170	0.71
275.6942749	0.07
288.1115723	0.17
289.0421753	2.60
290.2272034	1.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	347.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
133.9978180	1.03
148.9866028	2.23
152.8934784	0.19
155.9614563	0.11
166.9824829	0.04
178.0133667	3.03
193.0340881	100.00
201.1223755	0.10
211.9709320	0.04
220.9133606	0.17
250.9378967	0.04
257.0568542	0.13
259.1130066	0.30
269.2597656	0.05
272.4345398	0.18
284.7644653	0.06
289.0982056	0.32
300.4117432	0.53
301.5304260	0.35
303.1313477	1.12
308.9031677	0.13
311.1590881	0.27
312.1213379	0.06
317.2491455	0.07
328.2407837	0.56
329.2018433	1.46
334.8099060	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1091.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
313.1625061	0.12
324.4154358	0.18
325.4013062	0.23
367.2329102	1.11
371.1990356	0.24
385.4599609	0.05
427.2528992	0.76
428.5082397	0.02
429.2181702	0.06
457.4314575	0.67
469.2573242	0.17
486.9855652	0.29
488.0429077	0.16
493.3965454	0.10
494.3123779	0.05
499.2468872	0.11
507.4786377	0.27
511.0989380	0.98
512.1898804	0.52
515.4301758	0.39
529.1305542	0.72
530.4397583	0.22
542.8855591	0.19
571.1185303	0.15
573.3564453	0.06
580.6492920	0.19
590.8828125	0.08
592.2790527	0.08
603.3162842	0.10
614.5955811	0.04
633.3141479	0.33
644.9547119	0.07
660.3612671	0.39
677.4573975	0.15
687.0297852	0.10
687.6888428	0.09
693.4086304	0.12
705.2182007	25.26
706.3165894	4.94
714.5425415	0.19
717.3389893	0.05
722.9817505	0.79
724.5197754	0.05
735.1846924	0.79
744.1311035	0.10
753.7077026	0.13
766.3497314	0.15
777.0322266	0.06
795.5924683	0.24
807.0434570	0.05
849.5142822	0.05
867.1981201	0.54
868.4388428	0.34
885.4697266	0.57
897.1148682	0.15
911.4801025	0.35
913.6480713	0.32
929.1343994	100.00
930.2545166	31.52
938.7716064	0.25
941.5556641	0.10
959.3614502	0.20
970.2224121	0.13
971.4913330	0.31
972.2972412	0.08
1013.2608640	0.04
1027.7149660	0.09
1031.4973140	0.06
1043.4050290	0.05
1053.0777590	0.05
1056.3695070	0.03
1061.6464840	0.06
1062.7955320	0.11
1069.3356930	0.14
1073.3486330	0.86
1074.3449710	0.27
1093.2108150	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	377.09
Annotation	Unknow
Peak:m/z	Relative Intensity
112.9972229	0.39
118.8366241	0.13
130.9118195	0.19
142.9926300	0.40
147.0743713	0.10
148.9519043	0.03
159.1127930	0.05
161.0960388	1.11
179.0151978	2.36
197.0082550	0.12
214.9826508	7.97
221.0307617	0.61
250.7957764	0.17
263.0087585	0.92
274.1881409	0.31
277.2514954	0.08
280.8262329	0.15
288.1753540	0.08
323.1086121	0.77
341.2046814	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.05
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
164.1520233	1.33
210.9588928	2.89
222.0801392	0.80
241.1429749	0.47
262.0917053	0.80
280.1234436	1.11
296.1367798	1.06
308.1370239	7.61
309.2516479	7.89
323.03302	100.00
356.2149658	0.80
359.0938721	1.43
375.2977295	2.03
380.4291992	2.74
403.199585	1.18
405.1343384	1.40
414.338623	2.86
419.0927124	1.49
430.8269043	0.66
433.1867676	3.79
435.8226929	1.73
454.9385986	1.74
456.7492065	1.81
463.0192871	2.21
466.2859497	0.65
467.5374756	1.40
475.2214966	3.05
519.1155396	0.84
547.2212524	2.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
108.233551	0.08
117.1870422	0.16
127.219902	0.10
134.0245361	0.13
135.0473633	10.02
136.0548401	5.40
137.1002045	1.52
155.2175293	0.12
156.0839233	0.05
161.1134033	1.06
162.0953979	0.69
163.1123962	0.47
171.2775269	0.20
173.0445251	2.88
174.0372162	2.80
175.0859222	1.84
176.434967	0.03
179.0271606	37.41
180.0408478	39.16
181.0653992	18.73
189.058609	0.30
191.0499268	100.00
192.0683441	85.82
193.1260529	52.78
209.1296387	0.04
216.1904602	0.06
217.1919861	0.22
223.2434387	0.05
233.0531006	0.07
234.1560974	0.26
234.9975891	0.17
266.9059143	0.13
273.2119141	0.28
274.1196289	0.08
283.39328	0.24
309.1937866	0.18
311.2912292	0.16
319.2324219	0.11
327.3075562	0.03
336.65625	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2872
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
131.1250305	11.68
138.9956055	3.42
147.2053528	1.30
154.6485596	1.68
165.1185303	1.03
176.3511353	4.95
185.960083	1.27
191.1924591	6.83
195.0675354	2.49
223.9096069	1.18
265.3412476	5.68
269.0574341	1.39
271.1608582	1.58
281.3166504	3.95
283.3409424	2.48
284.1017761	2.84
286.0217285	1.03
302.7324829	1.49
313.4237976	1.32
324.4127197	4.37
328.1954346	0.85
333.2810059	5.27
342.5005798	6.47
348.1654053	2.82
357.3074341	6.76
363.2705383	4.49
373.3391724	3.38
377.2215881	1.01
379.6496887	17.01
380.4488525	8.88
382.3031311	5.82
383.8172302	1.86
384.8951111	1.74
385.7288513	1.83
389.7938232	1.94
390.4352722	0.87
391.2747803	1.81
394.3229675	10.64
395.0114136	11.50
408.2736511	100.00
409.4118347	8.15
410.9278259	1.31
412.2439575	3.87
416.8185425	0.85
423.4689941	1.12
426.0924683	1.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	538.1906
Annotation	3-Demethylsimmondsin 2'-(Z)-ferulate
Peak:m/z	Relative Intensity
152.0237122	0.83
153.1556396	0.53
170.1221466	6.92
171.0645447	1.99
175.0435791	2.73
176.2104950	0.87
204.0268097	0.24
207.0287170	14.92
208.1287842	5.96
220.1325684	0.11
222.1041107	0.08
223.3514557	0.29
225.0972595	0.10
237.0917969	0.49
253.1979675	0.10
265.2405396	0.17
269.1782227	0.10
271.2457581	0.12
280.2902832	0.57
281.2902527	0.17
282.2663879	0.17
292.5971375	0.14
296.1460571	0.14
308.1398926	0.40
309.1611328	0.65
311.0505371	0.22
312.4948120	0.25
314.0720825	4.75
315.2778320	4.14
317.2920532	0.18
321.9393921	0.07
326.0313110	0.42
328.4517212	0.43
332.2214966	25.73
333.1911011	9.70
340.3390503	1.87
341.3771362	0.66
348.2549438	0.66
351.2211914	2.30
352.3336792	1.46
358.1237183	1.17
359.0968018	1.79
366.3128052	0.18
367.2075806	0.18
369.1557617	3.72
370.1957397	2.94
376.1336060	1.21
377.0391235	0.55
381.0313721	0.16
391.4465942	0.17
398.3741455	0.07
399.0100708	0.08
410.2434692	0.11
421.9313965	0.31
424.8972168	0.36
429.2323608	0.12
434.3067627	0.10
440.9684448	0.04
444.4699097	0.15
446.8840942	0.06
448.9542847	0.95
458.6222534	0.29
460.3357544	0.30
461.1367188	0.15
463.5778809	0.21
467.5018921	0.47
479.2820435	1.29
483.0186768	0.59
484.7963867	0.37
485.4619751	0.43
489.3054199	0.42
493.2932739	0.11
494.3427124	0.13
495.5628052	0.08
498.4420776	0.05
502.3435059	0.85
503.2025757	2.08
507.1115723	0.90
520.3196411	47.85
521.2935181	100.00
539.1829224	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	436.97
Annotation	Unknow
Peak:m/z	Relative Intensity
129.0766144	0.10
139.0280151	0.03
143.0052490	0.03
145.0077820	0.30
156.9376373	0.06
160.9537659	0.07
176.0273438	0.03
177.0571136	0.11
178.1094971	0.69
178.9235382	0.07
184.0384827	0.03
193.9688110	0.27
195.1228485	0.47
196.1369629	0.17
196.9725189	0.03
199.1061859	0.06
200.0463562	0.21
201.0642395	0.43
205.0731659	0.10
213.8901367	0.16
218.1163788	0.04
226.9801941	0.42
228.2257233	0.21
229.0341034	4.32
240.0757751	0.29
241.1677246	0.05
243.1317139	0.72
244.3229980	0.17
244.9676208	0.09
253.0421753	0.02
258.1906433	1.12
259.0364685	3.33
259.9712524	0.15
262.2214661	0.07
262.9793091	0.10
272.7191467	0.28
274.2694397	0.19
275.1463318	0.17
276.1769104	0.22
284.9219666	0.05
285.7274780	0.14
287.1682434	0.02
288.1410522	0.04
288.9525146	0.48
291.0769043	1.58
292.2290039	0.42
293.3945923	0.07
297.0766296	0.24
301.3494568	0.17
302.0605774	0.27
303.0940247	0.25
304.0892639	0.08
305.1789246	0.07
307.3879395	0.03
308.3889160	0.09
313.0198364	0.04
313.8471680	0.11
314.9943848	2.44
317.1079712	0.07
317.9802246	0.16
320.2101135	0.04
325.8577881	0.12
329.3840027	0.48
330.0897217	0.24
331.4862976	1.00
332.1658936	2.74
333.0377197	12.75
337.3694458	0.04
346.3111572	0.13
349.1511536	0.05
356.2944946	1.12
357.1784058	0.45
364.0917969	0.08
372.1688538	100.00
373.1236877	13.31
373.9551697	0.26
375.1053162	0.03
377.0034485	0.15
383.1400452	0.08
391.3539429	0.59
392.1725464	0.26
392.8509827	0.36
400.9774780	1.27
417.9436035	1.69
419.0122986	5.91
421.0488281	2.12
421.8600769	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	337.0927
Annotation	1-Caffeoyl-4-deoxyquinic acid
Peak:m/z	Relative Intensity
118.9874573	5.24
126.5970154	0.02
129.0834198	0.09
131.0368042	0.05
146.9654541	0.06
155.1275177	0.52
157.1643677	0.04
162.9657593	100.00
173.0445557	4.60
177.1228180	0.04
179.0934906	0.03
183.0274048	0.02
191.0789490	8.38
197.0889587	0.03
255.2107544	0.04
272.1396484	0.02
276.1654053	0.05
277.2092896	0.09
283.4987793	0.02
290.9221497	0.25
292.3393555	0.02
292.9685669	0.17
294.4706421	0.07
295.1250916	0.05
299.4190979	0.12
301.2118835	0.02
306.3190613	0.06
307.0461121	0.14
308.9593506	0.13
320.1685791	0.03
321.2516174	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	687.1711
Annotation	D-Fructofuranose 1,2':2,3'-dianhydride
Peak:m/z	Relative Intensity
200.0007324	0.02
288.6343384	0.03
290.4470825	0.14
326.6899719	0.02
362.0568237	0.04
363.1237183	6.01
429.7855225	0.06
435.3374023	0.24
437.0332642	0.04
459.4969482	0.05
486.4026489	0.02
488.8486328	0.15
506.0733643	0.02
507.3142700	0.14
514.3547363	0.20
516.2904053	0.12
525.1666870	100.00
526.2659302	0.61
543.2121582	0.03
599.3973999	0.15
669.2177124	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	548.77
Annotation	Unknow
Peak:m/z	Relative Intensity
212.8246307	0.78
296.7401123	15.59
297.3925171	0.18
303.0796509	0.15
323.1789551	1.35
356.8956299	0.27
374.7787476	0.24
380.6542969	76.04
386.8222046	2.70
388.8750610	0.07
392.8966675	0.08
404.4035645	0.27
412.2837524	0.21
428.6081543	2.55
442.5700073	0.08
446.9168701	0.17
458.5698853	0.29
461.9822998	0.40
463.9187622	14.98
464.5395508	100.00
465.2075195	2.57
484.9755249	0.58
488.5752563	1.04
503.0005493	0.26
530.5625000	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	367.1489
Annotation	RD 01A7
Peak:m/z	Relative Intensity
148.6839600	0.15
157.2779236	0.09
160.1185913	3.34
161.0664062	0.29
163.1815796	0.14
167.3980713	0.28
172.8163757	0.10
175.1496887	0.08
187.0311127	0.07
193.0379944	0.07
209.9739685	0.10
212.7633057	0.04
214.8722839	0.04
218.4655762	0.05
220.1412964	0.06
221.1511536	0.18
223.2952271	0.20
227.9647522	0.10
234.1687012	0.04
236.7885437	0.16
239.0436707	0.06
247.3361206	0.43
249.9821472	0.28
251.2464294	0.22
253.3498230	0.04
266.5853882	0.39
273.2092285	0.20
273.8654480	0.14
275.1487427	0.21
277.3915405	0.07
279.2530823	0.05
282.2419434	0.13
284.4432983	0.33
289.0714722	0.06
291.7070923	0.39
292.8674927	0.48
296.5070801	0.06
297.5030518	0.17
300.2365112	0.10
301.1716003	0.13
303.4128418	0.08
306.9241943	0.27
307.6553955	0.26
309.3453064	0.08
310.2586365	0.13
313.3801880	0.08
317.2703247	0.26
318.0175781	0.08
322.0363770	0.08
322.8540649	0.13
326.5250244	0.26
331.2457581	0.30
331.9680786	0.30
336.0755615	100.00
336.6999512	0.20
347.0863342	0.19
348.3491516	0.25
349.2276306	3.66
350.1083679	0.45
353.2647400	0.05
358.1365662	0.16
360.9891052	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	623.2858
Annotation	Taxezopidine J
Peak:m/z	Relative Intensity
192.0234070	0.05
245.2384033	0.16
285.3562622	0.21
287.2364502	0.29
309.0296021	0.27
314.0146179	0.07
326.4746399	0.40
328.2063293	0.22
348.7172852	0.03
361.3232422	0.22
364.2487793	0.22
365.4918823	0.05
371.2153320	0.16
383.0472412	0.08
408.0429688	0.16
419.5234375	0.05
426.1547241	0.17
441.0382690	0.17
443.1990967	0.07
455.0468750	0.18
463.7269287	0.38
469.3873291	0.65
471.4765015	0.18
476.2720947	0.05
478.2081909	0.09
491.1290283	0.16
492.5870361	0.43
497.7153931	0.31
501.4010010	0.95
504.3087769	0.31
506.1220093	0.58
507.7957764	0.19
518.2459717	0.20
519.3533936	1.31
525.2598267	0.08
531.3701782	0.57
532.3041992	0.22
535.2909546	0.26
536.4212036	0.07
544.6239014	0.13
545.4856567	0.66
547.3746338	0.71
547.9755859	0.26
550.3859253	57.71
551.5040283	6.09
555.1004028	0.49
559.1770630	0.12
563.3004150	44.53
564.4337769	3.17
565.4924927	0.10
566.4092407	0.14
568.1652222	0.28
573.3357544	1.58
574.3870239	0.22
576.6484985	0.50
577.4774780	0.48
578.2664795	0.22
579.5465088	0.98
591.3573608	100.00
592.3833618	16.84
593.0057983	0.06
595.3947754	0.66
605.0395508	1.54
606.2175903	1.18
610.8237915	0.11
622.7855225	0.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	519.21
Annotation	Gossypol
Peak:m/z	Relative Intensity
184.1685486	6.87
273.382019	4.42
276.0621643	3.66
281.0939941	13.12
282.9107361	8.09
294.4767456	14.99
334.4951172	32.35
356.4376831	15.55
359.210022	7.87
361.1689453	12.46
396.9612427	8.47
402.6137085	14.34
422.3114624	4.41
455.3881836	16.77
458.5073242	6.06
462.4839478	28.55
463.364502	21.65
465.0055542	6.21
467.7197266	8.86
477.8599243	17.08
480.3647461	8.90
482.8795166	30.60
501.203064	100.00
502.3660278	21.57
504.6443481	20.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	394.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
127.0302277	7.16
128.0389862	1.85
144.9852905	100.00
185.0866394	0.03
210.1878967	0.16
211.0906677	0.09
212.2676086	0.07
219.8534393	0.15
232.0541077	0.10
353.1742249	0.07
376.2432251	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	431.12
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
143.0302734	0.20
151.1145935	0.04
153.1706543	1.65
158.6646423	0.09
160.9139709	1.95
179.0726318	0.17
180.1493835	0.14
187.2684937	0.04
189.1403809	0.02
205.1819763	2.39
207.2339630	0.08
219.1416016	0.11
223.1372681	5.07
251.0147400	0.11
275.0581055	0.09
289.2613220	0.09
335.2149658	0.06
373.2154846	0.11
383.3340759	0.30
385.1535339	100.00
385.7548523	0.32
387.3641357	0.04
410.7747498	0.06
412.6963501	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	479.06
Annotation	Gliovirin
Peak:m/z	Relative Intensity
154.0027618	0.47
171.6160583	0.09
173.2188110	0.13
187.8226166	0.07
188.8727264	0.05
189.9678040	0.27
192.1036072	0.10
196.1418762	0.23
205.9799652	0.14
224.0890961	0.71
225.7227020	0.66
231.1337280	0.24
236.8933105	0.14
243.1902008	0.32
252.2462463	0.19
253.1629333	0.25
259.1552429	1.18
260.0582581	1.48
261.1564331	1.08
268.2541199	0.24
274.2476196	0.15
275.0652161	0.14
277.1881714	0.81
284.1260071	0.99
284.9543762	0.49
285.9537048	0.96
287.2489014	0.14
288.2465515	0.29
293.0478821	1.16
299.1437988	0.11
303.0544128	0.31
306.2863770	0.27
315.0175476	0.18
316.1839600	1.43
319.9494019	0.12
329.2736816	0.16
330.8767090	0.32
332.3110962	0.15
332.9367981	0.09
353.2683105	0.10
356.8161621	0.15
361.0961609	0.10
367.2970581	0.20
368.2220459	0.08
370.5379028	0.24
382.7036743	0.03
384.1995544	0.07
385.3945618	0.60
388.1816101	0.35
405.3045959	0.06
414.3654785	1.48
415.1098328	0.80
416.2600098	0.04
417.8853455	0.65
419.9762878	0.08
431.2412415	0.46
433.3229065	0.58
434.1777039	0.68
442.0292053	0.15
443.6326904	0.27
446.3255920	7.05
447.1330566	57.86
448.1326904	100.00
449.2100525	37.77
459.3631287	0.08
460.1604919	0.20
461.3995667	1.18
464.0697632	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	205.0506
Annotation	Anhydrosepedonin
Peak:m/z	Relative Intensity
133.8415680	0.03
134.4533539	0.02
138.1629486	0.01
145.0414734	0.08
146.8838959	0.11
161.0516205	0.01
162.0681305	0.04
162.9864960	0.07
170.9147797	0.16
173.2223663	0.03
174.0766449	0.09
175.1505585	0.11
177.0646515	0.07
186.3758240	0.05
187.1733856	0.28
189.9665680	100.00
205.1295013	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	340.06
Annotation	Melicarpine
Peak:m/z	Relative Intensity
114.8529053	4.10
116.0658569	0.12
127.0759811	0.10
128.7785492	0.30
157.0238953	3.32
168.2788086	0.23
174.9549408	87.84
186.7469025	0.20
190.0420074	0.08
204.1871490	0.88
208.9862366	0.13
210.9154053	11.32
214.0840454	0.17
229.8145447	0.07
238.6901550	0.05
239.9019165	0.19
240.6420593	0.32
242.1422729	0.12
244.0877991	39.46
253.1566162	0.26
254.3099365	0.29
256.2291260	0.14
260.0919800	0.19
268.0961304	0.05
272.2935791	0.05
277.0857544	0.08
279.0662537	0.18
280.1272278	0.37
284.1022949	0.41
286.1141357	2.99
294.2984619	0.21
296.1661682	0.55
297.0341797	0.44
302.0558167	0.44
303.9368286	100.00
309.1249390	0.62
316.7599487	0.09
321.2023315	0.29
322.1104736	0.76
323.1006470	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	731.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
280.1871948	0.29
286.2969666	0.38
303.0717163	0.89
327.9511108	0.26
329.0324097	1.84
346.0908203	6.29
389.0996094	100.00
405.3480835	0.11
429.1176758	0.11
475.9354858	0.12
479.3419189	0.05
514.8117065	0.05
516.9318237	1.15
554.3274536	0.25
569.0684814	0.09
599.3060303	0.33
610.9998779	0.08
628.2901001	0.16
669.0861816	0.23
670.8341675	0.13
684.0443115	0.13
687.8196411	0.69
701.0585327	0.14
712.0437622	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	274.96
Annotation	Unknow
Peak:m/z	Relative Intensity
114.9519958	4.60
115.9213486	0.87
116.9771576	3.44
130.9520416	0.20
132.9395447	0.17
158.9171753	100.00
159.9536438	36.27
160.9981384	82.16
174.9083710	0.09
199.0010071	0.06
199.9516907	0.86
200.9953918	2.81
202.7575684	0.06
217.1441956	0.07
217.9600830	0.32
219.1040649	1.41
229.8595886	14.42
230.9937439	43.74
246.0308533	0.05
246.9288940	0.27
249.0258484	0.08
257.2889404	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	285.21
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
92.85758972	0.79
107.749939	0.65
111.0609741	0.12
113.0088272	0.31
127.0976791	0.48
164.1947021	0.37
169.1901855	3.26
171.0742798	0.82
177.0591736	0.59
182.8857422	0.20
191.086792	0.56
198.9290466	0.45
211.3899841	2.37
213.3189087	1.38
223.1990356	34.81
225.3379211	1.12
227.178894	1.64
229.0741577	0.52
237.013855	0.26
239.2443542	4.92
240.1836548	0.31
241.2483521	7.80
242.1026611	0.33
243.2272644	1.09
247.0745239	1.43
249.1947021	1.23
250.2172241	0.20
255.5342407	0.76
257.2371826	3.53
258.2179565	0.31
265.0783081	0.88
267.1915588	100.00
268.1151733	2.87
269.1962891	2.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	438.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
128.0256653	0.14
132.1635742	0.38
135.8850861	0.21
139.8755035	0.27
141.9650879	0.49
151.8833466	0.11
155.9708862	0.22
157.2756348	0.42
158.0515900	4.18
158.7949219	0.27
171.9730682	0.47
174.9057617	0.84
181.9568481	0.13
183.0781250	0.04
188.2422485	0.23
195.0050354	0.07
196.3754272	0.07
200.1590424	0.14
200.8587952	0.09
202.0126953	5.77
212.3206024	0.06
217.8137054	1.23
218.7541504	0.44
227.0649567	0.16
227.9510193	0.17
239.2336731	0.34
240.9731140	0.19
242.1278992	0.90
244.1303711	0.05
256.9484253	0.30
259.0292969	1.31
260.2984619	0.22
262.0366821	100.00
263.1834717	0.19
275.0528564	1.09
286.0718079	0.04
290.1678162	0.08
291.1951294	0.14
302.4650879	0.05
303.1422119	0.04
332.1273804	0.62
340.1009521	0.16
346.9028320	0.15
347.8270264	0.12
356.3908081	0.11
357.9742432	0.18
365.2236023	0.07
374.0983276	0.59
376.9378662	0.15
378.1600342	0.38
394.0922546	0.22
419.2132263	0.07
420.2354431	0.26
423.3287354	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	447.1506
Annotation	Barlerin
Peak:m/z	Relative Intensity
135.1236420	1.62
136.6792755	0.30
139.1260376	0.27
153.0225830	17.43
156.9005890	1.51
161.0424042	0.32
175.0614624	2.33
179.1223145	2.00
188.9345703	0.06
193.1385193	1.11
197.0724792	13.26
203.0354462	1.14
205.1414032	0.89
219.1085510	0.20
223.3286133	0.20
227.2232971	0.08
231.1264191	2.10
247.0259094	0.25
249.1590881	31.62
253.2857361	0.16
255.2455139	0.10
256.3904114	0.13
259.1983337	0.17
265.1652527	0.30
267.0766296	24.80
268.4221802	0.34
269.3047485	0.33
271.1455994	37.75
275.1096191	0.13
279.1831665	0.06
284.0412292	0.16
285.1685181	0.14
287.3582153	0.06
291.1896057	0.41
293.2200012	0.10
301.3186340	0.28
305.0532227	0.42
307.2224426	0.09
309.4999390	0.22
313.1968994	0.68
323.2210083	0.72
339.3489990	0.33
341.4475708	0.69
343.1195679	0.06
349.3377380	0.09
351.2837219	0.24
357.1230774	0.05
358.9483032	0.37
361.2131958	0.54
367.2179871	0.49
368.6573486	0.46
369.3505554	0.24
371.4830017	0.07
373.9712524	0.44
383.3810730	0.26
385.2820129	100.00
387.2447205	2.36
401.0867004	0.83
403.3002014	12.26
411.1887512	1.57
417.2768860	0.47
418.7876892	0.07
429.1925964	52.70
429.8542786	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	383.1263
Annotation	Securamine D
Peak:m/z	Relative Intensity
157.9055786	0.08
159.4658203	0.12
160.0672302	1.18
161.6640778	0.06
176.9907837	0.07
179.9870605	0.04
185.9257202	0.14
187.0598755	0.05
189.2763062	0.03
193.1823273	0.05
199.5811768	0.13
203.9494171	8.24
204.8925629	0.79
205.5132751	0.12
206.2421417	0.04
218.2813873	0.04
219.1925049	0.21
221.0179901	100.00
223.2765503	0.02
231.1202087	0.46
233.0408630	0.11
233.9327087	0.02
234.9721985	0.02
238.9002686	0.21
243.1222534	0.06
245.1960754	0.06
250.9180298	0.06
256.8640137	0.08
263.1188660	1.52
272.9665527	0.14
274.0854492	0.06
277.1508789	0.09
283.1431885	0.03
287.0484619	0.01
289.1412354	0.07
291.1492310	0.07
292.3067017	0.03
295.3156433	0.01
308.1418762	0.05
310.9990234	0.03
321.3019714	0.11
322.2622070	0.03
329.2120361	0.30
330.3541260	0.02
332.4724731	0.05
334.4506836	0.04
337.0756226	0.05
338.1489563	0.10
341.8106689	0.11
347.1887817	0.15
348.1021118	0.08
351.0944214	0.70
364.3326111	0.22
365.2246399	0.66
366.0292358	0.04
382.5975037	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	591.2612
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
181.1683655	0.06
240.2845459	0.12
243.1342316	0.04
250.1860657	0.02
253.2080383	0.03
255.2946167	0.16
273.3392334	0.04
308.0791016	0.05
335.9240723	0.08
339.1427002	0.06
341.2616577	0.05
359.2890625	0.04
361.3226318	0.12
395.3922729	0.11
433.8961182	0.06
463.7249146	0.05
474.2543945	0.09
475.6042480	0.03
488.3193359	0.05
493.6004639	0.09
505.1299438	0.05
511.6259155	0.25
513.4134521	0.19
515.3527832	50.46
516.3579712	83.45
517.2570190	0.01
520.4747925	0.20
529.6635132	0.17
531.4730835	0.12
533.4045410	0.04
536.2108154	0.04
537.5058594	0.18
538.6084595	0.04
540.5442505	0.03
545.1687622	0.34
546.5435181	1.58
547.3835449	6.31
548.3307495	5.39
549.7190552	0.06
554.1674194	0.18
554.9854126	0.04
557.4685669	0.13
559.2172241	66.83
560.1963501	100.00
561.0892944	0.55
562.0328979	0.14
564.6536255	0.06
573.5583496	0.08
574.5604858	0.26
575.6943359	0.21
577.5502319	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	293.2104
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
93.02070618	0.32
95.04818726	0.19
97.012146	0.10
98.82169342	0.35
105.2966843	0.57
111.6382446	0.16
118.8363266	0.18
120.8866119	0.09
123.0145493	0.52
131.0549927	1.60
133.0136871	0.29
136.9456024	0.08
139.035675	0.47
141.0226135	0.11
145.1990662	1.40
146.8782959	0.15
151.155426	1.42
152.9512634	1.23
153.8278809	0.12
158.9742889	0.83
161.2323456	0.14
163.1228943	0.46
167.1251831	0.55
169.2719116	0.06
171.1260986	0.24
173.1341248	0.16
175.2994537	0.25
177.2044678	0.30
179.3203735	0.75
181.0652771	0.50
183.1931915	0.39
185.1988678	0.20
187.2722168	0.18
191.003479	0.08
195.0437927	0.29
197.1330872	0.29
199.264801	0.45
201.9956665	0.08
203.7151794	0.16
205.3934326	0.14
207.4099426	0.79
209.2141113	0.65
209.9502258	0.66
211.1111145	0.09
215.2065735	0.64
217.7166748	0.20
219.2285156	0.73
225.0643005	0.27
229.2542114	0.39
231.1966553	0.05
233.2638245	1.59
235.1266174	2.92
237.1114807	0.20
239.2409668	1.50
245.0067444	0.05
246.8911743	0.48
247.6326294	0.35
249.7149353	0.15
251.2239685	1.75
257.2214661	8.52
271.1769409	0.37
275.1985168	100.00
293.0151978	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	516.8975
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0474548	1.22
160.2097778	0.06
161.0648499	0.35
174.7383118	0.29
175.3861084	0.03
198.9190674	0.12
228.8582306	0.09
244.8214569	0.03
272.9937744	6.37
275.0865479	0.07
288.9874268	6.90
370.6559448	0.18
387.0692749	0.57
399.8869019	0.06
401.1188965	0.37
402.9725952	100.00
421.1160889	0.15
426.0353394	0.07
440.9749756	0.07
442.0800171	0.48
443.0102539	1.39
445.0783081	0.05
453.9010010	0.10
461.0396729	0.72
468.7325439	0.05
469.8258667	0.09
470.7294922	0.09
471.4402466	0.20
472.8342285	0.37
477.9277954	0.15
489.1195068	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	304.99
Annotation	Unknow
Peak:m/z	Relative Intensity
114.9653091	9.00
132.9102478	100.00
133.9595032	0.13
155.7162628	0.10
160.9256287	0.09
170.9675293	0.29
176.0778809	0.20
196.1258850	0.15
197.2018585	0.51
201.1158142	0.29
227.0676575	0.23
233.0788574	0.95
235.1476135	0.14
241.3886108	0.09
242.0918274	0.32
243.3195190	0.13
244.0907898	0.11
244.9622192	10.14
257.0917053	0.35
258.2742615	0.12
259.0505981	0.06
260.6832886	0.76
261.5192261	0.24
274.9256287	0.06
284.3463745	0.09
285.0376282	0.12
286.2442932	0.75
287.1716003	1.81
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0851
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
104.210022	0.09
107.9599609	0.18
129.0898895	0.33
129.9818268	0.99
131.5647888	0.41
141.1486664	0.70
146.9832611	0.37
150.9908142	16.26
151.9617767	14.60
153.0976715	0.66
153.9255981	0.17
170.0036469	1.39
180.054657	1.22
180.7858887	0.56
182.4306793	0.18
183.0658722	1.14
185.3149719	0.45
186.2964478	0.37
194.1177979	0.51
195.2037354	0.78
197.1268921	0.59
198.2419281	2.66
225.2350769	0.56
226.1812592	4.74
227.069809	0.73
235.7730865	0.27
237.0684814	0.46
237.9552612	1.76
239.0670013	6.48
251.1353607	0.56
253.0926514	100.00
254.128006	34.35
255.1110382	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	381.08
Annotation	Unknow
Peak:m/z	Relative Intensity
185.1546021	0.24
193.1642303	0.46
194.3260193	0.75
196.9517822	0.64
208.9167786	44.56
209.9364777	1.82
210.8999329	100.00
213.0519867	1.31
216.9959717	1.49
234.0603638	0.67
235.1170959	0.72
247.9000549	4.15
249.0614014	2.91
251.1342773	4.37
296.6967163	18.77
312.4248352	0.22
317.1247559	0.52
319.3959045	0.36
320.9725952	0.29
334.7445068	4.84
362.0964050	2.98
363.4110718	8.97
364.2837830	0.38
371.5060120	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	293.1449
Annotation	Glutamyl-Gamma-glutamate
Peak:m/z	Relative Intensity
83.5851898	0.16
101.1537323	0.12
110.0626678	0.25
128.9256134	0.09
129.9989319	4.77
130.8308716	0.04
147.0447998	100.00
150.9940948	0.15
159.5571594	0.06
170.9919128	0.14
201.3867798	0.30
206.2857056	0.10
209.0769043	0.28
219.1537781	0.06
227.0351257	0.31
231.0675964	0.26
233.2864075	0.11
237.1636658	0.03
257.2169189	0.21
261.0600586	0.06
263.1332397	0.67
265.3535461	0.08
275.1877136	1.83
276.0592346	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	485.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
139.8862915	3.44
157.9792175	100.00
166.0957336	5.08
179.0349426	0.06
248.2379761	0.06
282.1304016	0.06
284.0554504	0.18
298.3192139	0.07
302.0624390	1.93
310.1494751	0.06
315.6853333	0.12
316.6990662	0.20
317.7592773	0.11
319.3569031	6.15
320.0476685	27.04
320.6678772	0.07
321.3421631	0.13
322.8085327	2.17
323.4626465	0.04
325.3915405	0.29
327.6568604	0.95
328.2746887	1.43
336.2198486	0.22
338.3491821	0.19
339.2126160	0.15
353.0888672	0.15
354.0255737	0.07
356.3983154	0.05
359.2253418	0.12
387.2996521	0.82
418.1780701	0.17
439.0228882	0.07
449.3296204	0.16
456.9044495	0.17
466.5296326	0.37
467.1732483	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	406.0301
Annotation	4-Mercaptobutyl glucosinolate
Peak:m/z	Relative Intensity
119.0420761	0.56
127.9261322	0.32
128.9305878	0.14
135.0754395	0.20
139.0129089	2.69
143.0284729	0.12
144.9884186	2.84
146.1460266	0.20
148.9045105	0.21
160.6549072	0.37
163.0937500	4.27
164.0238647	5.01
165.0452881	0.67
168.8856659	0.90
170.0260010	0.23
174.8304138	0.33
180.9895020	0.24
182.9584198	3.08
192.1150208	0.47
192.8366089	0.63
195.0364075	7.09
195.8379364	0.49
199.0646362	0.45
210.0191193	6.24
213.0459137	4.75
213.9509277	0.11
214.9106750	0.06
224.0402985	0.23
227.0377045	5.62
228.0399170	16.55
229.1596680	0.84
234.2201538	0.10
240.9602051	3.12
241.8569336	0.45
243.7744446	0.94
257.0697327	1.44
259.0500488	100.00
260.1030273	5.16
275.0485229	29.65
276.0890503	2.92
291.0132141	3.34
291.8557129	0.22
310.7947388	0.98
316.0895386	0.08
322.8338013	0.27
323.4911804	0.31
326.1513062	15.72
327.2253723	3.61
328.0484619	0.07
329.3298645	0.87
340.5480957	0.47
357.6773682	0.16
362.0187073	0.12
372.1871643	0.38
374.0885925	0.71
389.3370056	0.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	272.96
Annotation	Ribose-1-arsenate
Peak:m/z	Relative Intensity
114.9905090	4.12
131.0485077	0.16
156.2487793	0.04
158.8985748	100.00
183.0863037	0.02
198.9143372	2.15
217.0105896	1.62
228.9291687	23.42
243.9030762	0.14
245.0133667	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0874
Annotation	Scopolin
Peak:m/z	Relative Intensity
106.9652328	0.04
111.0212402	0.84
127.0219421	0.21
134.9962463	7.42
136.9557800	0.49
155.0354309	1.46
161.0819092	0.70
172.9831390	100.00
178.9836731	62.88
179.6141052	0.28
191.0083313	48.74
216.9640198	0.83
239.0495911	0.12
252.1249695	0.04
292.0989075	0.04
298.9446106	0.06
309.1478271	0.16
316.1539917	0.43
317.2876587	0.38
335.1033936	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	562.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
277.2966919	0.45
278.3178711	0.05
279.0048218	0.05
378.2717896	0.02
413.3101196	0.14
502.3471069	100.00
503.1465454	0.37
504.9888306	0.05
516.3336792	0.02
517.7319946	0.13
527.4143677	0.01
542.7704468	0.02
544.2848511	0.03
545.6373291	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	492.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
147.0794983	0.18
149.9710236	55.93
161.1262054	0.05
179.0662537	5.79
202.9761353	0.13
210.0987244	0.29
214.9175415	0.25
262.7423096	0.13
293.1422729	0.41
311.2827759	0.38
312.4418335	0.52
323.1243896	0.29
329.9990234	0.37
341.1715393	100.00
341.7902832	0.17
342.5543213	0.17
346.2487793	0.21
353.9753418	0.45
408.2079773	0.35
427.8556824	0.82
437.8937683	0.11
474.1748962	1.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	454.018
Annotation	Unknow
Peak:m/z	Relative Intensity
163.0347290	0.24
170.4110413	0.04
173.2315826	0.08
187.4324036	0.27
188.2649384	0.09
189.0941162	0.13
204.8864288	0.49
227.5241699	0.03
230.9256744	0.16
256.6828918	0.05
261.1628113	0.05
272.0209351	0.12
275.9328613	0.25
280.2882080	0.09
283.0155334	0.06
292.2990112	0.16
327.9915466	0.29
331.0886536	0.04
331.7187500	0.25
332.7805481	0.26
339.1367798	0.03
343.9632263	0.13
354.8802490	0.33
362.0661011	0.78
364.2136230	0.23
373.8732910	0.04
380.2954102	0.15
390.0152588	0.15
392.3423157	0.03
408.0180969	100.00
408.7342529	0.89
409.8395996	0.06
418.1817932	0.23
435.0458679	0.47
436.2496033	0.24
437.4214478	0.19
444.4112549	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	302.84
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9608459	0.90
183.3606567	0.10
200.0603027	0.07
213.2173157	0.11
218.9273071	100.00
222.1504517	0.14
230.8804321	0.03
240.1806335	0.09
257.0828857	0.26
284.2154236	7.12
285.1308899	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	520.74
Annotation	Unknow
Peak:m/z	Relative Intensity
212.0040741	0.04
234.8608856	0.08
338.8847046	0.24
414.8931885	0.27
415.8649292	0.18
420.6626587	0.04
430.5844116	0.03
432.8573608	0.17
438.0014648	0.22
459.5522461	0.06
460.8137817	0.07
473.2711182	0.04
474.5949097	0.03
476.8088989	1.27
477.7541504	0.98
479.7645264	100.00
480.4298706	0.29
483.9024658	0.26
486.2274780	0.16
488.8740845	0.18
491.1465454	0.49
492.7566528	0.90
494.1060181	0.13
495.6166382	0.63
496.7804565	5.14
497.4736328	5.77
498.2902832	0.28
499.5631104	2.60
500.3707886	1.46
501.0981445	0.03
502.8952026	0.42
503.8693848	0.22
505.7489624	0.33
507.0071411	0.61
508.4326782	0.69
509.2803955	0.18
510.1731567	0.71
512.9581299	0.17
518.0463867	0.24
520.1004028	0.47
520.8381958	0.20
521.7525024	0.57
524.4385376	0.27
531.5955811	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	309.1315
Annotation	Mannopine
Peak:m/z	Relative Intensity
92.9981079	0.33
94.4634018	0.13
136.2195129	0.21
146.2372742	0.16
149.9231262	0.27
153.9827271	100.00
165.0441284	0.08
167.1705933	0.13
179.9941101	0.18
182.1602478	0.16
183.0474548	0.20
187.2436829	0.15
188.0878143	1.01
189.3930817	0.05
197.6626587	0.05
198.3087769	0.37
200.0647278	0.06
203.0497742	0.17
209.0951233	2.74
217.1399231	0.17
226.1651306	0.28
230.1752014	0.10
244.0402222	0.06
245.1943665	0.09
245.9968262	0.16
247.9263916	0.26
254.1942139	0.07
260.0109253	0.13
262.2984009	0.10
263.1040344	1.32
265.1469727	0.65
290.3536987	0.24
291.1932373	0.81
292.1141968	0.56
302.3997192	0.13
303.0143738	0.12
308.9892883	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	525.1205
Annotation	Galactotriose
Peak:m/z	Relative Intensity
163.0485535	0.27
164.0401764	0.13
200.0275269	0.23
248.2575378	0.49
263.9542847	1.67
271.1891479	0.51
273.1176758	2.74
274.9458618	0.16
303.1328125	0.12
324.9642334	0.74
325.7540283	0.12
326.9105225	0.50
328.3023682	0.57
345.1983032	0.16
354.1660156	13.03
355.1045532	0.41
361.5781860	1.07
363.1494141	100.00
364.1057739	0.13
365.3381958	0.86
420.2120361	0.72
424.8015137	0.73
437.3159180	0.24
454.8664551	0.59
484.9478149	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	355.1032
Annotation	Veranisatin B
Peak:m/z	Relative Intensity
113.0960236	0.60
116.6469116	0.39
132.0759583	0.05
134.0879364	2.94
135.9858246	0.16
143.1360931	0.09
148.9345703	1.47
158.9814606	0.06
160.0201721	4.66
160.7587280	0.11
175.0767670	39.82
178.1027985	0.52
178.9715881	0.43
180.0371094	0.25
188.0824280	0.20
188.9352722	0.10
191.0808716	3.49
193.0273895	100.00
202.1227112	0.42
203.1213989	0.12
207.0620575	0.68
208.3051453	0.05
215.6444702	0.27
217.1048584	65.86
218.3722839	0.11
221.0411377	0.39
223.0305786	2.41
233.0569153	0.24
235.0941467	10.17
242.1113281	0.04
247.1115723	1.91
257.0466309	0.58
259.1193848	0.62
260.9511719	0.28
263.0182190	0.06
265.1675110	5.20
269.1522827	0.19
275.2075806	0.48
277.1373596	0.14
281.1808777	0.19
285.3916626	0.20
295.1028748	4.38
309.1495667	0.71
310.0853882	0.11
311.0191040	0.68
317.2740784	0.09
319.3201294	0.09
324.9139404	0.19
337.1486511	3.77
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	988.58
Annotation	Unknow
Peak:m/z	Relative Intensity
281.9949951	0.21
284.5223999	0.21
290.0214844	0.25
310.1394653	0.19
314.9169617	0.35
323.0666199	0.13
328.0328979	0.19
329.0215454	0.07
339.5551758	0.18
341.6166992	0.20
356.4432373	0.11
369.3123779	0.06
389.1860657	0.41
395.5305176	0.07
401.6859436	0.07
404.3747559	0.33
411.0120850	0.19
417.5047913	0.11
418.2677307	0.19
433.2303162	0.17
436.6385803	0.20
441.0359497	0.23
455.2686768	0.39
456.9224243	0.21
479.3325195	0.61
504.4039917	0.20
508.4051819	0.12
515.9725342	0.23
526.3470459	0.44
530.2630615	0.19
531.4210205	0.32
552.0111084	0.23
560.2296143	0.49
561.2183228	0.19
581.7227173	0.40
607.2148438	0.10
608.6370850	0.22
656.9285889	0.44
665.5255737	0.30
677.0518799	0.10
692.5383301	0.68
705.6954346	0.37
724.5554810	1.03
733.1369629	0.33
735.6413574	0.27
743.0187378	0.21
758.6372070	0.35
764.5125732	0.19
776.2821045	0.37
785.8471680	0.19
805.8710938	0.44
811.4974365	0.22
814.6658936	0.12
820.2761230	0.11
821.2082520	0.17
822.5153809	0.26
826.7663574	0.24
856.7016602	0.18
865.6314697	1.05
873.5175781	0.07
900.8093262	0.09
904.2447510	1.03
910.8173828	0.18
932.9877930	1.96
939.7189941	0.98
940.6038818	0.48
941.5141602	1.24
942.9140625	0.41
945.6121826	0.09
949.0649414	1.46
953.8491211	2.66
956.0261230	10.30
957.4932861	2.74
958.3046875	1.53
959.2230225	1.43
961.6357422	2.14
962.7053223	1.23
963.7479248	2.72
965.5258789	4.09
966.6806641	1.80
968.3704834	0.57
969.8913574	3.08
970.6774902	0.16
971.8386230	3.71
974.9239502	0.91
976.2037354	0.57
977.5136719	2.91
978.4938965	1.75
980.1502686	0.30
980.9406738	0.80
995.6065674	0.42
1012.3782960	0.21
1015.1401370	1.10
1017.5687260	0.42
1019.6403810	0.22
1020.5539550	0.08
1023.4091800	0.65
1025.5506590	1.19
1034.6607670	0.21
1038.9550780	1.57
1042.5098880	0.80
1045.5827640	0.17
1048.2720950	2.41
1052.4589840	0.95
1056.7023930	0.09
1058.0169680	1.81
1059.2634280	1.76
1060.8508300	0.60
1061.8935550	3.54
1062.8858640	0.12
1063.5681150	1.57
1065.4470210	0.45
1066.3944090	1.56
1067.3175050	0.71
1068.2137450	0.95
1069.9818120	0.28
1071.5944820	2.70
1072.5688480	1.79
1073.3017580	1.55
1074.5512700	4.42
1075.5964360	1.89
1076.3255620	2.19
1077.3227540	2.20
1078.4653320	1.55
1079.0761720	1.55
1080.7620850	5.83
1083.4294430	3.03
1084.5220950	0.23
1085.3886720	0.55
1086.3435060	1.16
1086.9995120	1.44
1088.2302250	9.28
1089.6069340	1.65
1090.6423340	2.52
1091.3059080	2.24
1092.2218020	3.54
1093.5662840	6.77
1094.2094730	0.78
1094.9202880	2.80
1096.1186520	7.12
1097.0272220	4.96
1097.9438480	2.64
1099.1965330	10.98
1100.2814940	2.80
1101.9384770	3.39
1102.7045900	6.14
1103.5008540	2.04
1104.1981200	0.62
1104.9890140	0.29
1106.7619630	20.24
1107.5812990	6.29
1108.4477540	5.06
1109.2141110	2.59
1110.4172360	5.27
1111.4018550	2.90
1112.2780760	5.22
1113.8652340	11.80
1114.9890140	17.03
1116.6401370	27.60
1117.4785160	16.38
1118.3714600	0.94
1119.1490480	2.04
1119.8249510	2.77
1120.8631590	4.54
1121.7558590	12.42
1123.0722660	2.46
1123.7585450	3.38
1125.5242920	15.94
1126.2911380	6.09
1127.0988770	3.22
1128.4467770	10.78
1129.3690190	12.88
1130.2587890	8.54
1131.0053710	22.26
1131.7800290	9.53
1132.5986330	2.77
1133.4528810	11.45
1134.0822750	100.00
1136.2868650	20.79
1137.3643800	9.18
1138.8010250	4.32
1139.4027100	1.19
1140.3828120	1.13
1141.3676760	0.67
1142.2348630	0.47
1146.1937260	0.10
1148.7697750	0.22
1151.0808110	0.69
1157.2133790	0.29
1159.6163330	0.08
1162.4932860	1.41
1163.6577150	2.78
1170.1048580	0.11
1170.7857670	0.31
1172.1270750	1.06
1181.1921390	3.61
1182.4642330	0.23
1183.2304690	1.19
1189.0534670	1.33
1191.5192870	2.32
1192.8544920	0.05
1193.9592290	1.24
1195.3300780	3.90
1196.0300290	0.27
1197.9997560	0.33
1199.5480960	0.39
1201.6705320	0.16
1203.1970210	0.72
1205.0472410	1.28
1209.7342530	3.48
1210.4541020	1.23
1213.2050780	0.94
1214.7008060	0.77
1215.6021730	0.80
1217.4530030	2.19
1219.0317380	0.66
1222.1079100	1.47
1223.6445310	0.06
1226.5474850	2.36
1230.9143070	2.40
1232.6562500	2.44
1234.4117430	1.44
1236.9290770	2.42
1237.7581790	1.21
1238.3896480	0.52
1239.9367680	2.52
1240.6499020	3.79
1241.6207280	0.71
1242.8226320	1.33
1243.9466550	3.57
1245.4056400	1.34
1246.5311280	6.08
1247.1862790	2.27
1249.6171880	1.05
1253.3573000	2.43
1254.4097900	0.79
1256.4311520	1.47
1257.1749270	0.90
1258.3642580	1.28
1260.2722170	1.48
1261.4542240	3.76
1262.3974610	0.42
1264.1557620	4.27
1264.7731930	0.31
1265.3754880	1.69
1266.2932130	0.11
1267.1909180	2.82
1269.4121090	3.82
1270.6319580	0.06
1271.7133790	2.70
1273.1237790	0.57
1274.4766850	6.58
1275.2332760	2.89
1277.0635990	1.14
1278.2158200	0.57
1279.7183840	0.65
1281.3659670	1.01
1282.1584470	1.28
1284.3277590	3.20
1285.4875490	1.94
1286.3236080	4.05
1287.6180420	0.22
1289.1446530	2.01
1290.6815190	0.47
1291.8048100	0.08
1293.5544430	3.46
1294.2918700	5.15
1296.1523440	2.69
1296.8997800	0.63
1297.5770260	7.65
1298.6671140	1.85
1299.7449950	2.86
1300.4954830	0.91
1301.2398680	1.95
1302.1815190	2.01
1303.3488770	1.91
1305.3084720	6.65
1306.2733150	0.36
1308.5413820	4.19
1310.0125730	0.08
1311.6446530	7.15
1312.3637700	2.05
1313.0893550	4.32
1313.8865970	3.70
1314.9399410	10.49
1315.9694820	1.96
1316.8988040	9.77
1317.7305910	4.08
1318.4566650	3.57
1319.4449460	0.75
1320.6929930	2.04
1321.6307370	2.15
1322.5537110	0.58
1323.7078860	1.81
1324.8337400	3.81
1327.7705080	15.18
1328.6506350	4.03
1329.2823490	0.39
1330.5555420	1.92
1331.3289790	2.31
1333.5303960	0.24
1334.6282960	1.54
1337.6878660	8.07
1339.1481930	3.06
1340.7432860	8.78
1341.5828860	3.10
1343.1203610	4.15
1346.3114010	4.90
1347.0445560	0.06
1348.1383060	0.09
1348.9180910	0.71
1351.9891360	2.57
1353.3721920	0.58
1359.0642090	0.89
1365.1005860	0.14
1369.4598390	0.46
1380.3549800	0.48
1381.6491700	1.54
1383.5113530	2.08
1384.7528080	0.74
1393.8043210	0.12
1397.8818360	0.57
1398.5238040	1.33
1401.9433590	0.43
1409.0091550	0.63
1410.1075440	0.40
1411.1276860	0.32
1415.8927000	1.67
1416.7832030	0.26
1418.3532710	1.89
1419.2464600	0.88
1423.0294190	0.15
1424.4672850	0.10
1426.9732670	1.49
1429.0640870	1.46
1436.7003170	0.78
1437.5345460	1.23
1439.9947510	0.79
1444.4307860	0.15
1445.1033940	0.20
1450.6112060	0.54
1453.9815670	2.10
1456.8449710	0.94
1458.3510740	0.79
1467.5203860	0.31
1468.5701900	0.29
1473.0297850	2.21
1473.9300540	0.10
1476.9361570	1.66
1479.2528080	2.07
1480.2030030	1.58
1481.3229980	2.11
1483.8758540	0.68
1486.1669920	0.49
1486.7808840	0.36
1489.2552490	1.23
1491.8229980	1.49
1493.7871090	0.33
1495.6002200	0.47
1498.8509520	3.10
1499.9031980	1.38
1500.5482180	0.31
1504.0267330	1.13
1505.5013430	2.21
1507.0170900	0.22
1511.2160640	0.62
1513.8438720	0.45
1515.3010250	1.93
1516.5434570	1.34
1517.9779050	0.36
1520.5899660	2.94
1521.9447020	1.81
1523.8751220	1.47
1525.2994380	1.26
1526.2203370	0.99
1528.9566650	1.12
1535.3028560	0.55
1536.9390870	0.50
1538.0305180	1.40
1539.1409910	1.84
1541.6578370	0.79
1545.1356200	1.01
1546.4599610	1.32
1547.1702880	1.11
1549.9500730	2.55
1553.7691650	0.91
1554.6264650	1.36
1558.7969970	3.28
1560.4794920	0.92
1561.7413330	0.89
1563.8709720	1.24
1565.7625730	0.32
1567.5963130	1.13
1569.0745850	0.09
1570.7233890	0.96
1572.0017090	0.07
1575.2176510	2.58
1576.3662110	1.52
1577.7614750	3.43
1578.5062260	1.70
1579.3338620	1.62
1580.6811520	1.16
1581.8254390	6.87
1582.4781490	0.74
1583.9178470	2.57
1585.0130620	2.05
1586.2628170	0.96
1587.8077390	1.03
1589.1705320	1.01
1590.2625730	1.62
1592.1505130	1.21
1592.8065190	0.89
1593.5451660	0.52
1594.6949460	3.67
1595.8684080	2.18
1599.3806150	1.91
1600.6322020	0.53
1601.5640870	1.07
1602.3028560	2.13
1603.0148930	2.15
1604.1986080	0.11
1606.7603760	12.09
1607.7197270	2.59
1611.3312990	0.16
1612.5609130	0.83
1615.3178710	3.18
1618.6152340	3.63
1621.3238530	0.61
1621.9719240	0.37
1623.2128910	0.37
1624.2147220	2.15
1627.5274660	0.80
1631.1578370	0.65
1639.3493650	0.76
1644.8646240	0.65
1646.8444820	0.67
1650.4344480	0.08
1658.6740720	0.06
1691.5939940	0.44
1701.1041260	0.25
1708.0343020	0.32
1722.1534420	0.14
1724.2022710	0.15
1747.8161620	0.36
1756.7984620	0.45
1758.9948730	0.10
1769.2381590	0.65
1779.5533450	1.02
1780.6243900	0.73
1783.2404790	0.17
1791.6051030	1.52
1793.4080810	1.24
1796.3182370	0.50
1799.8128660	0.57
1815.0106200	2.41
1817.4910890	0.33
1837.2121580	1.21
1838.5118410	0.64
1842.6589360	0.64
1844.7961430	0.27
1856.9896240	0.10
1868.4161380	0.26
1869.8826900	0.52
1889.4224850	0.46
1891.9908450	1.16
1908.6541750	0.10
1916.6140140	0.46
1919.4696040	0.25
1921.0303960	0.56
1925.8546140	0.77
1934.5523680	0.62
1938.8406980	0.43
1960.9021000	0.29
1963.3424070	0.20
1965.6033940	1.15
1983.3244630	0.17
1986.4538570	0.09
1988.2200930	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.048
Annotation	4-Hydroxyglucobrassicin
Peak:m/z	Relative Intensity
144.1903687	0.22
155.8236847	0.17
159.4335327	0.40
160.0341492	5.60
168.9790802	4.95
170.0843964	0.21
172.2243042	0.20
176.0483704	4.11
185.0201569	0.37
187.2038269	1.06
188.4326935	0.29
194.1533813	0.49
195.0599365	0.70
201.8947296	0.29
205.2269592	1.26
206.4582825	0.25
207.0869904	0.26
214.8895111	0.26
221.1351013	4.29
224.0613098	0.42
227.3026733	0.38
240.0734406	10.77
241.2263794	0.54
245.0488892	0.31
259.0701599	8.37
267.0720215	76.58
268.0575562	0.80
269.8921814	0.80
272.0658264	0.43
273.9470825	1.00
275.0776062	4.63
285.1501160	100.00
290.9387512	1.93
300.1232910	0.37
301.0289001	1.00
314.3099976	0.16
358.3056641	0.18
372.8574219	0.27
382.5652771	0.47
383.1750488	8.67
413.2478333	0.19
415.4980164	0.27
444.6700134	1.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.2778
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
140.1582642	0.02
153.0014648	0.02
170.9131317	0.01
189.1855774	0.03
196.1296844	1.89
196.9863129	0.02
208.1014252	0.03
214.1308746	1.41
261.3575134	0.16
269.4908447	0.03
279.2348328	100.00
279.8514099	0.31
336.2365723	0.03
344.3153381	0.03
370.2113647	0.03
382.6893921	0.01
385.9698792	0.01
404.2789001	0.05
414.3363342	0.03
415.2077637	0.29
420.9008179	0.02
422.1459961	0.02
430.3446350	0.01
432.4812012	0.02
433.1216125	0.03
440.1541748	0.03
447.5297546	0.05
458.0352478	0.06
458.8877869	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.0638
Annotation	4-Methoxyglucobrassicin
Peak:m/z	Relative Intensity
138.9418335	1.47
144.9924316	1.67
163.0683746	1.42
169.1652069	2.47
173.1820984	0.65
195.0091248	4.27
199.0656433	4.40
201.0478210	2.14
227.0512085	7.85
235.1042328	17.90
241.1610107	9.52
248.9398193	0.96
258.9750671	100.00
259.5951233	1.29
275.1114502	22.45
281.0315247	3.23
283.9699097	0.70
286.1984863	0.69
291.0687866	39.37
299.1752625	3.91
328.1668091	1.88
397.3171082	4.57
400.3878174	1.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	929.273
Annotation	2-Feruloyl-1,2'-disinapoylgentiobiose
Peak:m/z	Relative Intensity
258.9555359	0.58
261.0718689	0.13
263.1368408	0.25
265.1511536	1.00
277.2518005	0.74
286.7785034	0.30
287.4413147	0.06
289.0920105	2.99
291.2319641	0.12
294.8085938	1.05
301.1917114	0.73
305.0488586	0.18
313.0622559	0.14
325.3059082	0.10
331.1293945	0.13
337.2007446	0.26
355.2072449	0.64
367.2187195	1.48
369.0942383	0.22
385.1525269	1.41
397.0306702	0.37
409.2796326	0.22
413.1280518	0.48
421.4731445	0.32
427.2362671	5.83
439.1062012	0.58
441.2297974	0.07
449.4550781	0.10
457.1907349	1.84
463.2421265	0.29
465.2918091	0.16
469.3045654	3.57
481.1838989	5.41
485.1296387	0.20
487.1299438	2.97
487.7719116	0.11
493.3217773	0.27
497.0437622	0.09
499.2813721	7.68
511.2546997	11.91
529.2638550	9.67
565.5747681	0.21
569.3490601	0.22
603.2050171	0.30
619.3255615	0.24
633.2460938	0.78
645.1935425	0.42
659.4915771	0.18
663.3771973	1.80
675.2827759	0.17
687.2297363	1.42
690.9822998	0.61
693.1417236	0.72
699.1426392	0.34
705.3041382	100.00
717.2568970	0.94
720.3323364	0.35
721.3727417	0.24
723.2538452	3.73
735.3208008	41.16
753.4201660	0.30
767.2034912	0.28
792.5712891	0.30
794.5092163	0.10
824.3026123	0.45
830.2846680	0.36
839.1098022	0.53
849.4663696	0.20
884.6848145	0.06
899.6231689	0.21
909.6514893	0.41
911.2887573	0.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	737.2267
Annotation	Helonioside B
Peak:m/z	Relative Intensity
206.9919739	6.96
212.9945374	0.07
217.0257263	0.14
219.0456238	0.15
221.0887451	0.02
224.8406372	0.56
225.4512329	0.06
230.9524384	0.05
235.1355896	0.38
237.2465515	0.07
247.0568237	0.12
249.8917236	0.21
255.1842041	0.15
263.2258911	0.29
287.1078491	0.02
291.0764771	1.51
302.9931030	0.33
311.1708374	0.04
315.0051880	0.22
321.2867737	0.18
333.1628418	1.40
335.0876770	0.06
351.0562439	10.57
351.7365112	0.02
355.4383240	0.29
369.0578613	100.00
369.6851196	0.67
379.6990356	0.03
385.4760132	0.04
397.3023071	0.06
403.2305298	0.71
407.4312134	0.14
413.2983398	0.05
421.1165771	0.71
439.1563110	0.19
452.6948853	0.06
503.4084473	0.03
517.1076050	0.21
529.1655273	0.04
547.0293579	0.32
556.4536743	0.05
557.0549927	0.08
565.2684326	0.76
574.9743042	2.56
575.7015381	0.06
583.4433594	0.05
593.1094360	0.08
683.0789185	0.31
701.0706787	0.57
704.6279907	0.04
718.5803833	0.60
719.4531860	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1143
Annotation	Lactulose
Peak:m/z	Relative Intensity
160.8989563	0.04
179.1139069	0.08
239.1607361	0.02
241.1384888	0.01
262.9633789	0.01
323.1380005	0.01
341.1523743	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2209
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
108.896225	0.53
123.0903702	0.56
124.8272095	0.22
128.0524139	0.29
128.9815063	0.27
133.0244904	0.29
137.1507874	0.98
139.0747833	0.18
141.2161865	0.35
151.0230713	0.43
153.0447693	0.23
155.0734558	0.49
160.766098	1.02
162.8856964	0.44
163.915863	0.42
166.9132996	1.02
169.0494995	0.28
171.2222595	0.14
172.8966064	0.23
174.9044647	0.83
180.9135437	3.89
182.6585388	0.59
183.3031616	0.83
189.2484741	0.27
193.2410583	0.99
195.3282166	0.26
197.098938	4.54
204.7193909	0.55
209.1660461	0.52
211.2305298	1.99
213.0478516	0.71
219.1747437	0.95
221.3500977	0.96
223.0431213	2.77
225.0509338	1.22
229.3791809	0.32
230.8315735	0.90
233.2333069	1.31
235.0426941	1.10
236.9764404	0.34
239.1366272	1.30
241.0301819	0.67
247.3010254	0.76
248.8908997	0.29
251.249939	1.76
253.0610352	4.36
254.1369934	0.24
257.092041	0.68
262.8979492	0.21
265.1028442	2.55
267.2445068	0.81
269.5152588	1.42
275.1960449	14.05
281.2605286	0.83
283.1365356	1.90
284.1498413	0.75
290.9599304	0.24
293.2146912	100.00
294.2428894	0.23
296.0350342	0.47
307.2771301	0.55
310.0657959	0.23
311.0479431	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.071
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
94.9190826	0.37
108.9944916	2.28
112.9508667	9.11
113.8754730	2.61
126.9537811	9.25
128.0458984	2.48
131.0126038	63.46
132.0268250	0.07
144.9886475	100.00
145.9885864	0.06
184.3441162	0.24
216.7861023	0.08
230.7925110	0.15
285.1578064	0.15
297.1281738	3.08
298.1219482	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	363.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
115.7673492	0.04
126.8991470	0.07
128.0358276	0.70
128.9659729	0.02
138.0010071	0.74
139.8972168	0.04
140.9938354	0.16
142.0525665	2.21
146.0690613	0.06
152.1413422	0.07
158.0667725	6.59
159.0894165	0.34
159.8990173	0.51
172.0534973	0.87
174.2490234	0.28
175.0529938	0.06
182.5106354	0.29
183.2541199	0.04
185.1285553	0.04
197.0442352	2.21
199.5107117	0.12
200.1183167	0.44
201.9627228	8.21
211.0505676	0.30
213.0577393	0.22
215.1607361	0.43
218.0639954	2.50
229.0256348	2.79
230.1773682	0.10
231.9191589	0.11
233.2998657	0.13
239.2281189	0.33
240.9548340	0.52
242.9694214	2.38
244.1224060	1.07
246.2704773	0.15
249.1361084	0.05
257.1105347	0.08
259.0709229	4.95
260.0053101	0.25
262.0640564	100.00
262.8942261	0.11
272.3880615	0.08
273.0943604	0.08
282.1918945	0.14
284.9191589	0.03
290.2808838	0.15
299.2584534	0.15
300.4419861	0.63
301.2688904	0.25
302.0886841	0.50
303.0600891	19.57
314.3934326	0.06
319.0125732	0.96
319.7076416	0.12
320.3888855	0.07
326.7494202	0.16
327.4079285	0.17
333.0312805	0.19
344.1849670	2.43
345.0432129	0.72
346.3996277	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	738.93
Annotation	Unknow
Peak:m/z	Relative Intensity
211.0929871	0.20
240.9057312	0.49
280.1972656	0.03
305.1637573	0.02
323.0669250	14.53
359.0585022	1.29
377.0209961	0.53
390.9417725	0.02
419.2669678	0.11
438.9967651	0.03
441.1011963	1.00
458.9593506	3.10
466.7769775	0.16
483.1455688	1.36
491.2907104	0.07
494.9403687	2.13
497.1926270	0.27
507.8202515	0.09
523.9299316	0.11
525.8581543	0.20
526.9208374	0.04
547.7896118	0.02
554.9321899	0.13
558.7421265	0.17
560.0921631	0.39
564.7904663	4.79
565.6303101	0.04
568.5996094	0.13
570.9622803	0.58
576.9671021	0.34
580.4842529	0.03
582.7882690	0.76
583.8005981	0.44
585.1323242	1.01
603.0711060	100.00
603.6936646	0.38
618.7500610	0.23
627.1389771	0.14
640.6397705	0.54
650.9517212	0.11
652.4638672	2.62
654.5872192	7.99
657.6372681	0.02
660.7448120	0.10
691.8533936	0.77
692.6941528	1.55
695.8652344	0.12
714.8851929	0.04
715.6940918	0.13
720.9056396	1.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0875
Annotation	Scopolin
Peak:m/z	Relative Intensity
107.8246765	0.07
108.8312378	0.10
111.0346527	0.63
127.0803680	0.11
129.3077393	0.08
134.5174408	1.30
135.1341705	7.47
137.0032349	0.40
145.9044800	0.21
155.0467529	1.82
161.0874329	0.05
162.8464050	0.10
172.9994202	100.00
175.1141968	0.09
178.9952393	59.53
180.5289307	0.10
191.0067749	21.33
202.9595795	0.16
212.2554779	0.05
217.1280212	0.35
218.9295959	0.09
225.0514221	0.02
261.4235229	0.06
262.1656799	0.16
262.9976196	0.08
265.0838013	0.02
291.3041077	0.03
292.9166260	0.05
306.4127808	0.12
307.2137451	0.07
315.1978760	0.05
317.0042114	0.25
333.3437500	0.19
335.3626709	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	959.2812
Annotation	1,2,2'-Trisinapoylgentiobioside
Peak:m/z	Relative Intensity
273.8919067	0.12
275.2568359	0.10
277.3356628	0.03
286.9473267	0.05
288.6323853	0.37
289.2481384	0.75
295.1534119	0.68
298.2810364	0.05
305.1921387	0.12
313.5860596	0.03
316.0114746	0.06
317.0120544	0.12
319.3325195	0.16
325.1915283	0.95
331.1534424	0.50
335.2928772	0.05
338.4763489	0.04
347.2912903	0.02
349.1915894	0.86
352.0147400	0.07
353.3772278	0.10
366.4725952	0.09
367.2957153	0.85
371.1083984	0.06
385.0872192	2.13
391.3668213	0.04
412.9791565	0.11
427.2098389	1.52
428.1429443	0.07
441.4124756	0.08
453.1799316	0.03
457.1825562	0.10
469.1873779	0.82
487.2140503	0.20
493.3655396	0.32
495.4815063	0.15
497.1698608	0.41
500.9855347	0.04
511.2981567	4.38
515.3274536	0.22
529.3360596	4.83
530.8024902	0.05
537.2826538	0.07
573.4443970	0.08
590.5722046	0.34
591.2356567	0.42
633.5697632	0.24
644.9181519	0.09
657.1511230	1.20
666.3707886	0.07
675.3345337	0.72
688.2104492	0.04
692.9067993	0.84
693.6512451	0.18
699.1182861	0.17
716.6879272	0.11
717.3387451	0.23
721.3045044	0.23
735.3195801	100.00
753.1427612	1.34
779.0824585	0.24
793.2578735	0.04
840.6506348	0.18
851.4307861	0.06
899.1531982	0.24
909.9678345	0.12
941.2626953	0.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	505.987
Annotation	2-hydroxy-dATP
Peak:m/z	Relative Intensity
171.1490173	0.10
199.0765991	0.06
228.9910431	0.15
239.2444153	0.02
255.0696716	0.03
269.8199463	0.07
282.0351562	0.20
295.1309814	0.11
297.9444580	6.51
306.3880615	0.13
312.1216431	0.06
313.2210083	0.03
315.2903748	0.10
316.0308838	0.15
317.0562134	0.05
323.2722473	0.06
325.2308044	0.08
328.1098022	0.09
337.2186279	0.06
344.0610962	0.04
344.9951477	0.09
354.9256897	0.08
358.7926331	0.40
360.1237183	0.09
367.8657227	0.11
377.3141785	0.15
389.0791931	0.21
394.5255127	0.05
398.0639954	0.07
401.1228638	0.10
402.9754639	0.03
405.0005493	0.06
408.1076965	0.22
414.2030334	0.04
415.0099792	0.04
417.7845764	0.10
419.8438721	0.04
422.0701599	100.00
425.0197449	0.07
426.2184143	0.24
427.9006348	0.06
430.2664185	0.05
432.1190491	0.10
433.6119690	0.05
442.2913818	0.41
443.2016602	0.22
444.6878052	0.11
459.8425903	3.76
469.2013855	0.09
470.1872864	0.14
485.3215027	0.08
487.1813660	1.57
488.0951233	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	323.079
Annotation	Cromakalim
Peak:m/z	Relative Intensity
94.9101410	0.05
96.9707718	1.88
98.9735107	3.37
111.0215607	0.14
113.0179672	0.35
115.0447083	0.73
117.0701523	0.06
125.0418930	0.08
126.2114258	0.04
134.9571075	13.51
135.7237396	0.09
138.9882812	0.38
140.9844513	0.05
142.9961243	0.52
145.0534973	0.45
151.0035095	0.47
151.8877258	0.08
156.9468994	0.16
160.1609497	9.16
161.0835114	32.25
169.0052185	0.58
172.0891418	0.05
175.2194672	0.05
177.1423798	0.06
181.0610809	0.06
182.2407532	0.12
182.9737549	0.05
184.9299927	0.05
186.1405487	0.58
187.1093445	2.54
191.0704956	0.39
193.1950836	0.26
199.9266815	0.09
202.3758545	0.26
203.0457153	2.41
204.0846558	0.27
204.8988953	0.28
206.0575562	0.06
207.1333923	0.12
210.9885254	11.11
214.1628418	0.37
215.1052856	0.89
221.9616699	0.81
223.3765564	0.10
226.1829529	0.05
227.7171326	0.04
229.8989868	0.41
232.1253052	21.58
233.0615234	100.00
235.8957214	0.09
244.9524536	1.09
256.2459106	0.13
256.9980469	0.12
260.0671387	1.15
262.0983582	5.27
263.0723267	22.80
274.2496948	0.27
278.2277222	0.06
279.9385681	3.15
286.1044922	0.17
286.9759521	0.27
292.0826721	1.10
293.1091919	9.34
304.1646423	0.31
305.2565918	0.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	290.85
Annotation	gamma-Pentachlorocyclohexene
Peak:m/z	Relative Intensity
122.9569092	1.23
206.7853394	100.00
223.0913391	0.19
227.9667969	0.07
272.9920654	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	435.96
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9198608	0.56
130.1056671	0.04
138.9060059	0.14
144.8443604	0.05
163.0956726	0.06
166.2358551	0.05
169.1739502	0.05
169.9461060	0.18
177.0633240	0.44
178.0233765	0.77
179.1548157	0.05
192.9376831	0.09
194.0622406	0.42
194.9645691	0.44
198.1566467	0.06
199.9313049	1.18
214.2718658	0.08
224.2169342	0.11
225.9607544	0.03
227.3796387	0.32
240.9915771	0.10
243.1087341	0.12
244.0981445	0.80
246.0895996	0.11
257.9023743	6.85
259.1111145	4.27
261.0681458	0.07
262.0351562	0.05
272.3229370	0.16
272.9615784	0.11
274.9242554	1.59
283.9067688	0.09
285.9088135	0.58
287.9664612	0.73
289.9343872	0.02
291.1932373	0.79
292.2275391	0.03
301.3211060	0.85
302.0020752	3.23
303.6469116	0.41
306.1868286	0.13
313.1504822	0.09
313.8834839	0.25
329.8225098	0.30
331.1514893	0.72
332.0552368	6.57
337.2593079	0.12
339.6289978	0.08
344.0643005	0.22
345.0018616	0.20
345.9537964	1.33
347.5302734	0.12
348.1431274	0.06
355.1922607	0.07
356.1993103	0.80
356.9839783	0.06
359.4797363	0.08
363.2353516	0.04
364.0237427	0.03
372.1125183	100.00
373.5296326	0.20
374.2473755	0.10
383.2243958	0.06
391.3369446	0.64
392.0437927	2.92
400.0718384	0.34
404.7414856	0.07
417.8895874	7.03
418.5087280	0.06
421.0038452	2.66
437.1023254	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	945.2666
Annotation	Negretein
Peak:m/z	Relative Intensity
264.9551086	0.05
266.3039551	0.01
275.2026978	1.99
276.0826416	0.20
277.0868530	0.12
279.2848816	0.04
289.1081543	0.16
292.4727173	0.02
295.0940552	0.13
309.3073730	0.03
311.6323242	0.02
316.9986572	0.12
318.5533752	0.02
326.2055054	0.03
331.2499390	0.29
332.0362244	0.10
335.1563721	0.02
338.8829346	0.07
340.4265442	0.07
349.1212769	0.03
353.1870728	0.05
367.2708740	0.30
368.2421265	0.04
371.2541199	0.02
385.2273560	0.34
397.3153076	0.25
413.3135986	0.05
414.8864441	0.01
425.3717651	0.12
427.2904663	0.61
428.2222290	0.14
429.3752441	0.03
439.4613647	0.06
443.3217773	0.05
451.4370728	0.04
453.4056396	0.04
457.2080688	1.13
458.3267822	0.19
469.8446045	0.03
471.4685669	0.03
473.1138306	0.08
479.3529053	0.07
482.2555542	0.03
487.0379639	0.27
488.0282593	0.22
493.5052490	0.06
497.2237549	0.78
498.3109741	0.20
499.3759766	0.07
501.2228394	0.06
505.2892456	0.09
508.4885864	0.08
511.2321167	1.18
512.2353516	0.13
515.2464600	10.98
516.4071655	1.76
523.4916382	0.06
529.2484131	2.71
530.4057007	0.33
535.1083984	0.03
559.2422485	0.03
577.2329712	0.03
598.2868042	0.02
610.8614502	0.07
619.5668335	0.07
624.2930908	0.02
631.7000732	0.04
634.5415649	0.05
649.1607056	0.29
650.2913818	0.05
661.0567017	0.01
662.7018433	0.02
663.4126587	0.10
667.6502075	0.05
679.0658569	0.08
685.3919678	0.18
693.5356445	0.02
694.3922119	0.02
703.2837524	0.42
704.5201416	0.11
707.5386353	0.02
709.5556030	0.02
721.2261353	100.00
722.2189331	18.37
722.8490601	0.11
735.3168945	0.33
736.0857544	0.17
739.2617188	2.28
740.1760864	0.27
740.7865601	0.04
747.7527466	0.01
752.9901733	0.24
770.3539429	0.02
781.1457520	0.03
787.4140015	0.02
790.2944946	0.01
811.1730347	0.03
823.8140259	0.05
859.4688110	0.10
902.4561157	0.06
909.3778687	0.07
914.6521606	0.01
917.7981567	0.03
927.2269897	0.13
928.2542725	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	541.1176
Annotation	Fasmerianamine A
Peak:m/z	Relative Intensity
181.9778290	3.02
215.3864136	0.05
232.6316986	0.05
281.0242310	0.07
298.2708435	0.28
298.9618835	3.31
305.4803467	0.11
311.0942383	0.50
323.2634277	0.06
325.9976807	0.17
341.5463867	0.13
343.9194946	63.05
344.5501099	1.93
346.0226440	0.09
361.1734619	0.16
378.9022217	8.09
390.1732788	0.13
391.7630615	0.07
419.0648804	0.13
421.1812744	0.03
422.1896362	0.25
423.7672729	13.62
424.5133057	0.14
432.4627686	0.15
437.3020020	0.09
438.9332275	0.03
442.9404907	0.17
450.0302734	0.16
450.9628296	0.08
451.8326416	0.08
458.4347534	0.13
460.1060791	11.67
460.7841797	100.00
461.5232544	0.59
475.4573975	0.21
480.1514893	0.07
481.3854370	0.11
495.4682007	0.17
499.8733521	0.13
505.1436768	0.16
509.1291504	0.35
510.8556519	0.04
523.7037354	0.09
531.1255493	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	763.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
219.2270508	0.01
272.3680115	0.04
289.0804443	0.22
290.1027832	0.01
298.8750000	0.02
305.3659363	0.08
307.1466370	2.47
308.1307373	0.30
317.3517456	0.10
323.4122314	0.06
325.2001343	1.52
326.3256226	0.38
329.3233643	0.02
349.1502686	0.15
350.2774658	0.02
360.8286743	0.06
367.1522827	0.11
376.8675537	0.10
377.5656128	0.09
395.1802368	0.04
398.1099243	0.02
421.0555420	0.10
422.3438110	0.20
439.2691650	1.83
440.3527832	0.23
442.0411987	0.02
449.6419067	0.01
457.3104858	0.02
463.1671753	0.06
467.1216431	0.09
470.4026489	0.02
475.3046875	0.06
481.2613525	0.26
482.1501465	0.06
491.3633423	0.15
493.3198242	0.46
494.3193970	0.19
499.0540161	1.83
499.7836914	0.17
500.4537354	0.31
509.2962646	0.13
511.2724609	1.25
512.1270142	0.06
512.7543335	0.05
523.1013184	0.05
527.3309937	0.17
529.1830444	0.11
530.3917236	0.03
534.1734619	0.02
535.1816406	0.16
536.3026733	0.19
541.3172607	0.26
542.3123169	0.21
553.2317505	7.57
554.3137207	1.58
561.8500366	0.05
566.0287476	0.03
569.4077148	0.02
571.2589722	13.93
572.3544922	3.65
587.8836670	0.03
589.3208618	1.14
590.4118042	0.29
595.0646362	0.36
596.3666382	0.07
601.2050781	0.03
613.2435913	1.37
614.2686157	0.09
618.3591919	0.02
625.3300171	0.76
626.2331543	0.25
629.5098267	0.05
631.2983398	41.24
632.2506714	6.51
633.3388672	0.16
643.2892456	1.95
644.3563232	0.62
646.4727173	0.08
654.9823608	0.01
661.2667236	0.69
662.4441528	0.46
665.3342285	0.04
666.3934326	0.24
667.2653198	0.45
668.5426636	0.03
673.3093872	1.26
674.3693848	0.60
685.2736206	27.06
686.3459473	9.92
691.5225830	0.24
703.2815552	100.00
704.2916870	25.10
705.3568726	0.18
715.3463745	0.04
716.5205078	0.07
721.2287598	4.83
722.2621460	1.11
723.1946411	0.13
733.3134766	0.11
745.5401001	0.56
746.6502075	0.17
747.6277466	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	279.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
79.9794540	0.17
96.8359222	100.00
97.5949783	0.07
131.1543579	0.08
191.3982391	0.07
192.9495087	0.05
199.1024475	87.00
207.3066711	0.08
208.2405396	0.09
216.3909302	0.18
218.3905334	0.13
226.9615479	0.06
231.1557007	0.13
232.7247009	0.49
235.1717529	20.59
237.2059631	0.18
243.0626221	0.08
250.2654114	0.06
259.2515259	0.08
260.1502991	0.73
261.1833496	3.05
263.1268921	0.10
277.2929077	0.06
278.8482666	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0197
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
85.0252457	0.23
87.0031357	1.23
110.8837280	100.00
128.9502563	2.34
130.9036865	0.80
147.1340485	0.19
154.8944702	0.32
163.0566254	0.05
172.8903351	20.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.278
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
147.9343262	0.06
171.0900879	0.10
196.0709839	0.13
208.9493713	0.02
214.1165466	0.84
279.2807922	100.00
279.9259644	0.10
341.9942627	0.04
349.3553162	0.27
379.7793274	0.08
387.7750549	0.09
390.4706726	0.03
398.2175598	0.07
405.2153625	0.06
411.4991455	0.04
414.3232727	0.05
415.4048157	0.07
417.9934998	0.09
418.8906555	0.02
421.9662781	0.04
429.7424622	0.19
430.4653320	0.08
431.9773865	0.14
433.1180420	0.21
438.2976990	0.07
440.0387268	0.38
440.6878357	0.02
449.6128540	0.23
457.5726929	0.15
458.2632141	0.47
459.1232910	0.38
459.7848206	0.10
460.4966125	0.03
462.4738464	0.05
475.7670593	0.04
477.1903687	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	349.1
Annotation	Mannopine
Peak:m/z	Relative Intensity
112.2588654	0.07
115.9919434	0.94
128.7674561	0.20
130.0260315	0.13
133.0343323	0.82
141.1184540	0.21
147.1350555	0.05
148.1411438	0.06
149.9266968	0.67
154.0482178	0.18
157.6767426	2.01
158.3056335	0.19
168.1675415	0.38
170.2086487	0.06
175.0288391	99.75
184.1793671	0.34
194.0252075	1.40
195.9808655	0.17
202.2573700	0.23
202.9804230	0.08
209.3247986	0.15
211.5561218	0.17
213.0789032	0.85
216.1790771	0.76
220.9301453	0.25
228.1153259	0.10
228.9915161	0.52
230.0882568	0.41
231.3802185	1.89
232.1167297	1.86
234.0874329	0.29
234.8109131	0.30
236.0551147	0.16
241.2485962	3.68
244.1734314	1.07
245.0779419	0.12
249.0360718	0.36
249.9149475	0.13
251.2033691	0.32
251.9452209	0.14
253.1086731	0.30
257.9415588	0.19
259.1050110	0.43
261.2065735	1.67
261.9123535	0.12
267.2955627	0.20
268.1723328	0.30
269.0379639	0.47
271.1312256	1.70
275.0719604	0.08
279.1160278	0.05
285.3101807	0.17
286.1644287	0.09
287.2923584	0.22
288.9746399	0.63
293.1903992	0.15
295.1040649	0.31
303.5564270	1.20
304.2368774	1.81
305.1860352	2.04
312.1880493	0.44
313.1237793	6.18
314.2372742	0.20
325.7186890	0.25
330.0145264	0.25
331.2275391	100.00
332.1762695	0.51
340.2943726	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
85.01356506	0.16
94.75202942	0.25
104.6316681	0.25
114.8996429	0.24
122.0870361	0.46
123.2860565	0.24
124.0265503	0.34
125.2279968	0.68
127.0091705	0.44
142.8900909	0.63
146.0471039	0.30
146.9956207	0.23
148.7598724	0.62
150.3745575	0.56
153.1455841	0.78
160.9128265	0.59
166.7962646	0.35
168.9349823	1.44
173.9974823	0.21
175.1614685	0.74
180.1638794	1.14
183.0029449	0.74
191.2206726	1.42
192.3002167	0.81
194.0900421	0.39
195.2016754	2.70
203.208313	0.56
205.1244049	3.10
206.3997803	0.75
207.1522064	10.56
208.1602631	6.93
209.1372528	5.71
210.1929169	1.38
214.8340607	3.39
221.1094513	0.34
222.1147156	7.46
223.1402588	9.47
233.1112518	2.93
234.1073151	1.07
234.9698639	1.11
235.945755	0.97
251.0753174	100.00
252.1239471	16.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	547.1663
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
159.2577515	0.04
161.0237732	0.42
161.9761658	0.05
163.1627808	0.55
164.0559998	2.31
165.0275879	0.44
167.1974945	0.05
171.1414795	0.04
172.7363739	0.04
174.9879761	0.22
177.1133728	0.06
179.0124207	2.23
180.0058136	0.28
185.2154388	0.02
189.0962067	0.15
190.0406494	0.30
191.0636139	0.33
193.0301361	1.53
193.9627380	0.07
202.0709229	0.11
203.1945190	0.12
204.1254578	0.03
205.1336670	1.94
206.1657562	0.27
208.0976868	8.42
209.0958557	0.54
217.1592712	0.64
218.1933289	0.08
219.3116913	0.25
221.0833588	1.98
223.0454407	100.00
224.1261292	5.55
231.9601593	2.13
233.1027374	0.15
236.1318359	0.22
237.1330872	0.17
245.1506348	0.57
246.1010742	0.06
247.1587067	9.79
248.0547485	0.62
250.0232544	0.08
251.2310638	0.48
252.3789520	0.06
262.9855957	0.74
263.8966675	0.06
265.1032715	2.15
266.1377563	0.17
277.2086182	2.41
278.2332764	0.26
289.1691895	0.83
295.0001831	1.24
296.0411377	0.10
305.1804199	0.33
306.2727661	0.04
307.0023499	0.12
307.9492188	0.02
309.0287170	0.12
319.3807983	0.02
323.1605225	8.41
324.2340698	0.37
325.2111816	0.06
331.3848267	0.12
333.8898315	0.18
341.1046753	0.03
349.0560303	0.18
367.3219604	0.10
368.1140747	0.03
381.1422119	0.27
385.3305054	0.37
386.1446533	0.11
427.2517090	0.61
428.2745972	0.15
439.2702026	0.06
447.1793213	0.12
452.4287720	0.02
457.1945801	1.98
458.0376587	0.19
459.3333740	0.04
461.4956665	0.02
468.1738281	0.01
469.1051636	0.15
470.3482056	0.08
475.3209839	0.03
483.1678467	0.13
487.2294312	4.68
488.2582397	0.71
495.2069702	0.05
501.3213501	0.21
502.0844727	0.02
503.6934814	0.18
509.8278198	0.02
513.1314697	0.02
517.2718506	0.06
529.1568604	3.56
530.2865601	0.43
539.3488159	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	182.98
Annotation	Unknow
Peak:m/z	Relative Intensity
111.1221924	0.03
124.0996094	0.04
126.0463867	0.08
137.8581848	0.24
138.9677582	1.35
140.1095428	0.03
141.8425598	100.00
142.7289581	0.03
146.7971039	0.13
152.9668732	0.16
155.4752502	0.19
156.8836212	0.25
159.8057098	1.70
162.3850250	0.30
164.9973602	0.17
166.9063263	0.05
167.7141113	0.07
171.6381683	0.06
182.7819824	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0851
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
103.1524048	8.55
104.7448273	1.83
106.6192627	7.65
123.0635529	3.40
128.901947	9.18
130.0817871	1.40
132.9238281	1.40
146.9960632	0.76
151.0839233	91.05
151.9687195	4.98
152.9739532	4.06
166.5068512	11.67
167.2394257	3.10
169.0826874	3.18
178.9622955	12.35
185.145462	4.29
197.1690063	5.46
198.0902252	4.74
206.9258575	6.67
225.1319427	24.73
235.1925201	2.37
238.1946259	49.23
239.0379028	11.20
253.0831909	100.00
253.8747406	0.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	655.2751
Annotation	Coproporphyrin II
Peak:m/z	Relative Intensity
206.1680603	0.19
225.2044220	0.22
242.1507874	0.17
251.2470398	0.33
255.1006775	0.06
265.4664917	0.39
266.2201538	0.10
266.9323120	0.15
279.2344055	0.26
283.1683960	0.05
293.3595581	0.11
297.2407837	0.18
299.4357910	0.35
307.2944336	0.41
312.6537781	0.09
325.4518738	0.17
339.2634277	0.18
342.2991333	0.11
346.2126465	0.24
351.2280884	0.08
357.1304932	0.08
360.5178223	0.44
365.3524170	0.23
369.6273193	0.27
370.8214111	0.53
372.3989868	0.42
383.0587158	0.05
384.1157837	0.74
385.2523193	0.73
389.4016113	0.63
391.2528687	0.58
399.3534546	0.09
402.2360840	0.75
407.1034546	0.77
412.3944092	0.18
426.4732666	0.48
427.2719727	0.14
431.1074829	0.34
432.3580933	0.08
433.4032593	0.24
436.3654785	0.31
439.4346924	0.58
440.3159790	0.22
441.3900757	0.49
442.4578857	0.42
443.3113403	0.22
444.5128784	0.12
445.2506104	0.34
446.0823364	0.41
447.2642212	0.26
454.3787231	0.18
456.4907227	0.22
457.5112915	0.22
458.5048828	0.21
460.4855957	0.14
468.3528442	0.15
472.3749390	0.45
499.5445557	0.24
506.2094116	0.07
522.5561523	0.40
525.7627563	0.07
527.7142944	0.09
539.4136963	0.10
543.4004517	0.13
546.0325928	0.21
547.5072021	0.19
551.4013062	0.16
554.2397461	0.10
557.2462158	0.64
562.2008667	0.06
563.3292236	0.37
565.4653931	0.14
567.6439819	0.22
570.3985596	0.36
572.5152588	0.15
577.5213013	0.62
579.5000610	0.56
581.3790283	0.61
583.4349365	0.42
585.3471680	0.87
591.2203369	0.64
593.4496460	1.11
595.3424683	100.00
596.0482788	0.48
597.2488403	0.06
600.0468750	0.26
600.8370361	0.24
601.8139038	0.37
605.3223267	0.28
606.0604858	0.22
609.6155396	0.11
610.4902954	0.30
611.6404419	0.42
612.8496704	5.90
613.4545288	44.49
619.5477905	0.24
622.3543701	7.25
623.4712524	3.40
627.2714844	3.47
636.4743652	6.86
637.4447632	5.86
638.5719604	1.26
655.1672974	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
131.2458191	2.01
135.1815643	5.60
140.9243469	6.80
160.9001923	9.31
173.1467896	15.08
185.0159302	18.49
187.0307312	8.01
189.19133	5.53
205.4219513	5.28
215.2331848	7.40
224.9533386	4.50
267.3548889	8.14
278.2237549	7.29
281.3458557	3.38
309.9570923	7.57
312.2985229	3.14
337.6894226	4.02
338.39505	1.50
339.3558044	5.73
348.3653564	13.03
349.2177124	14.32
357.3374023	18.94
363.1611023	3.20
364.9430237	5.25
366.7126465	8.45
367.3393555	4.88
368.3507996	8.49
381.566803	5.93
382.1758423	7.46
384.7737122	2.18
390.123291	22.44
391.2410278	32.98
398.349823	2.12
408.2724304	100.00
409.2848816	9.96
426.4643555	1.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	461.1663
Annotation	Verbasoside
Peak:m/z	Relative Intensity
143.2003174	0.13
146.0276794	2.21
161.0655975	4.26
163.3473053	0.31
164.0936737	2.97
179.0278473	60.24
185.1881409	0.14
209.1317139	0.35
216.6123505	0.11
219.1622314	0.59
225.9897308	0.37
231.1497955	0.09
235.1397552	2.12
252.9108276	0.08
287.1227112	0.25
299.1459351	0.05
301.2235413	0.26
306.1674500	0.11
323.2054138	0.30
324.9134216	0.25
331.3673096	0.12
332.2044373	0.16
339.0684204	0.13
341.1664124	0.20
352.8119507	0.07
355.3746948	0.20
367.3097229	0.11
372.9337463	0.15
380.3582764	0.39
381.1415100	0.52
383.0328674	0.15
395.4011536	0.21
396.3959656	0.60
397.3256531	0.16
402.1063538	0.08
403.1234436	0.15
404.3205261	0.63
405.3018799	0.54
415.1745911	100.00
417.2351685	0.26
423.1837463	0.10
425.2511292	0.65
426.2209778	0.13
431.0684509	0.06
432.7388916	0.11
442.3292542	0.92
443.2294617	1.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	549.21
Annotation	Unknow
Peak:m/z	Relative Intensity
162.9582825	6.25
170.9013977	0.72
200.6594238	0.16
215.7893219	0.06
218.4783936	0.49
219.2680969	0.27
228.2061005	0.06
237.0473022	1.07
241.4492035	0.13
248.2454834	0.15
254.9921722	100.00
288.7533875	0.06
295.0928955	0.86
304.9738770	0.10
307.1423340	0.10
310.0887451	0.21
315.7485962	0.07
324.8284912	4.01
340.2981567	0.15
379.0809326	1.93
381.1105957	0.23
386.2535400	0.37
387.3125000	0.65
402.0548706	0.77
403.0426025	0.27
415.0634766	0.16
416.8088379	39.45
417.5132446	0.42
441.4096069	0.34
443.5841064	0.23
449.4876099	0.52
450.4290771	2.12
451.1392212	3.13
452.1445312	0.15
457.4682007	0.77
487.9633179	0.08
529.2543945	0.52
530.1030884	0.42
531.0221558	0.06
531.9429321	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	520.13
Annotation	Unknow
Peak:m/z	Relative Intensity
267.0587769	0.06
275.1076050	0.19
279.2857056	0.07
281.3015747	0.19
281.9225464	0.09
311.2205200	0.36
313.2040405	0.02
321.2862549	0.14
330.1439819	0.03
346.3097534	0.07
356.1751709	0.55
357.2255249	0.12
365.0698242	100.00
365.7031250	0.41
374.2238159	1.13
387.9683228	0.13
391.4042358	0.18
421.8919678	0.29
436.3323975	0.05
443.9838867	0.09
447.8684082	0.08
456.4812622	0.31
458.2961426	0.04
462.4252930	0.16
484.5269165	0.09
501.1978760	0.08
503.6495361	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	145.06
Annotation	3-Ureidoisobutyrate
Peak:m/z	Relative Intensity
83.9411163	0.09
99.2025909	0.02
100.9581757	0.53
108.9777222	6.90
125.2993317	0.04
126.9643250	100.00
128.0004578	15.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	567.83
Annotation	Unknow
Peak:m/z	Relative Intensity
197.2386169	0.26
231.9427490	0.69
300.0745850	0.13
315.8400269	4.89
319.8024902	0.08
348.2590332	0.24
354.1008911	0.67
371.2898560	0.17
372.2427368	0.61
374.0825806	1.35
389.8612671	0.24
393.0708008	0.16
395.3997192	0.14
399.7318726	25.13
400.3593140	0.16
403.7203369	0.08
409.0492554	0.26
412.1071167	3.07
413.2853394	0.81
416.5687866	0.41
437.8444214	4.11
463.7180176	0.14
474.9847412	0.07
483.1923828	10.85
483.8663330	49.93
485.1146851	0.08
521.7329712	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	215.03
Annotation	D-Hamamelose
Peak:m/z	Relative Intensity
71.0360718	0.37
86.9706726	0.38
88.9781189	1.54
100.8915405	0.50
103.8383789	0.10
106.6762390	0.05
112.9831238	0.41
114.8909454	0.08
118.9062805	1.75
125.2534943	0.04
130.9812775	0.76
143.0278778	2.18
148.9454041	0.97
154.8992462	0.11
160.9745026	6.05
178.9190216	100.00
184.9391937	0.07
196.8256226	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9836731	4.34
128.0107727	19.36
128.9479675	0.12
144.9919739	81.54
145.9619141	100.00
152.9017639	0.24
242.0898438	29.91
243.0599670	4.06
300.3646851	0.06
300.9917603	0.19
343.1338196	1.24
373.2641907	0.08
384.2150574	0.22
385.0858765	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	427.02
Annotation	Unknow
Peak:m/z	Relative Intensity
129.9506073	0.35
133.0567627	0.06
135.8854218	0.04
174.4863281	0.16
204.2119446	0.06
213.2324371	0.24
215.1329956	0.06
224.1397705	0.07
227.2977753	0.04
229.2847443	0.22
230.9980316	0.03
233.1688538	0.39
233.9168091	0.18
234.8103333	0.30
236.2723694	0.06
238.1490173	0.07
245.8197021	0.27
247.1492920	0.07
248.4041443	0.42
250.2561035	0.06
254.2712708	0.04
256.9175110	0.44
264.1087952	0.03
265.0180359	0.48
274.7161560	0.16
278.2690125	0.11
279.0963135	1.83
280.0643616	0.30
284.7521973	0.07
292.1443481	0.42
292.9355469	0.68
296.1740112	0.16
297.1829224	1.52
298.2327271	2.70
301.0145264	0.24
302.4056396	1.02
303.0971680	0.96
304.8746338	0.36
306.9281311	46.02
309.7076721	0.39
311.1184082	0.42
312.2086182	0.27
315.2176819	0.24
318.9760437	62.25
320.9257812	2.27
323.0600586	0.50
329.5178528	0.22
330.9012756	1.91
334.8918457	0.05
336.8720703	100.00
337.5937500	0.21
342.1968994	0.06
343.0930176	0.41
346.9766235	0.17
348.9725952	2.06
353.9801636	0.09
355.0239563	0.22
360.6916504	0.79
362.0689087	0.33
362.7496338	0.04
364.9108582	3.44
367.0109863	66.31
373.1006165	1.14
376.6019897	0.14
381.1953735	0.20
382.0120544	6.00
383.1221619	7.15
389.8228455	0.09
391.1424255	8.77
394.4730835	0.25
397.0137024	0.47
399.4038086	0.19
408.2781067	16.42
409.0599976	61.33
409.6804199	0.37
417.3205261	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.221
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
90.71356201	0.40
95.03886414	0.50
101.0506897	0.18
107.1478424	0.52
108.8372116	0.64
111.2093353	0.24
119.1253052	0.85
121.0353317	1.21
123.1224365	0.92
124.9959793	1.64
128.8319702	0.90
131.067749	2.21
133.0009003	0.51
134.9226379	1.02
141.1253052	1.23
142.9916077	1.13
147.2494202	0.49
148.9104309	0.51
151.1590881	0.42
155.1767883	0.80
157.0628967	1.73
159.004364	0.73
161.0006256	0.17
162.4615021	0.63
164.8978577	0.59
166.3406067	0.52
167.167984	0.12
169.203949	0.50
171.1596222	1.29
175.2571564	0.39
177.1307983	1.15
179.3626404	0.59
181.0439301	0.50
183.1215363	1.86
184.2379608	0.09
187.2971039	0.29
189.1543274	0.13
191.1570129	1.23
193.2025909	2.00
195.1043091	1.39
196.5179596	0.75
197.1392212	0.50
199.3338928	0.48
201.2709808	0.29
203.1151733	0.71
205.0611267	1.65
207.2149353	0.70
209.1900024	0.39
211.1073608	2.91
212.0640259	0.40
213.0661316	3.46
215.1859131	0.13
216.9380188	1.00
219.2989502	2.51
220.2464294	0.79
221.168457	1.51
223.1333008	0.89
225.028595	1.23
227.2749634	0.72
229.0725403	3.39
234.2736816	1.05
235.3547974	1.48
236.9657898	0.66
239.0340271	3.89
240.1601257	0.32
241.2502747	2.11
247.1420898	0.72
248.6254883	0.76
249.4170837	2.25
251.1916809	2.28
253.2023315	8.29
253.9356079	0.35
255.2202148	0.78
257.416687	0.94
265.0303345	0.99
265.6525574	0.56
266.4610901	0.24
267.3866577	0.53
268.8529663	1.75
270.0006714	1.82
275.2485962	16.56
283.1325989	1.61
293.2084961	100.00
294.1207581	0.92
296.757843	0.98
310.5542603	0.41
311.4833984	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	586.9051
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1953125	0.04
201.0220642	0.05
203.0210571	0.13
245.3092346	0.13
272.9384460	0.88
274.9822998	0.03
276.1922607	0.08
357.1354370	0.13
358.9585571	0.26
386.9455566	0.19
388.9608765	0.10
405.0762939	0.14
427.0819702	5.48
428.1004639	0.10
429.2188110	0.15
431.0512085	0.24
442.7984009	0.13
455.1622314	0.08
456.9456177	0.13
470.1643066	0.04
471.0910645	0.23
472.4378662	1.98
473.1361084	2.34
490.0126953	0.06
495.1989136	0.09
498.4614258	0.21
500.9735718	0.11
511.9352417	0.09
515.3748779	0.16
518.8799438	0.03
528.1475220	0.06
528.9573364	0.08
530.0227051	0.05
540.8040771	100.00
541.8667603	0.33
542.7986450	0.69
545.8049927	0.06
548.7427368	0.06
556.0490112	0.04
556.9707642	0.04
559.1366577	0.17
569.1993408	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	218.1033
Annotation	Pantothenic acid
Peak:m/z	Relative Intensity
71.0402679	0.66
87.9270477	100.00
116.0666046	0.14
145.9902649	10.55
160.0316925	0.27
172.0321503	0.03
173.8351746	0.11
174.7374268	0.22
199.9238434	1.22
217.7529449	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	249.09
Annotation	5-Hydroxyindoleacetylglycine
Peak:m/z	Relative Intensity
100.8224640	0.58
102.9793396	0.02
114.8241730	2.44
116.9476929	0.47
120.0443726	0.05
126.8328400	0.15
132.0813599	0.12
132.7592773	0.14
134.8784790	0.03
136.2628632	0.06
146.8300018	0.04
149.1080017	0.05
157.2130127	0.03
159.0300903	0.21
160.0588989	0.03
166.9005737	0.09
172.9545746	7.06
175.0578918	0.55
175.9118805	0.04
177.0612030	0.21
185.0661163	0.40
187.2987518	0.86
191.0530548	0.28
193.1536865	0.15
201.1165009	0.04
202.9613800	0.55
205.1012726	100.00
207.0835724	0.20
207.9295807	0.03
211.0384827	0.08
212.9076843	0.03
215.1461334	0.08
221.1620026	0.21
225.9685516	0.03
229.6915436	0.19
231.0414429	7.77
231.9827118	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	338.088
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
104.0249023	0.08
104.9222412	0.08
130.8919830	1.21
132.0663452	7.65
158.0282288	0.09
161.0752869	0.11
163.0881348	0.11
174.1139832	0.23
176.0589294	100.00
180.8385468	0.12
208.9328003	0.15
212.1500549	0.13
216.0795898	0.05
218.0978699	0.44
233.2916870	0.19
248.2010193	0.29
250.0958557	0.06
258.0643616	0.03
260.0321655	0.07
263.0833130	0.18
276.1549683	0.12
278.1643677	0.68
279.3282471	0.07
284.2695007	0.06
291.9388428	0.64
293.9812927	0.55
294.9649048	0.15
302.1279907	0.13
304.2216492	0.15
320.1910706	1.23
323.2922974	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	841.6517
Annotation	Unknow
Peak:m/z	Relative Intensity
242.5317841	0.04
243.3582001	0.08
268.2076721	0.11
273.0657654	0.23
274.2442627	0.03
283.2240601	0.15
304.1684265	0.11
318.1243896	0.39
370.2932129	0.09
371.2294312	0.10
379.3310242	0.46
384.1083984	0.13
387.3815002	0.58
388.1812134	0.25
393.3366089	0.28
394.6627197	0.36
405.1571655	1.01
406.3884888	0.07
412.3712158	0.30
413.4430542	0.06
429.1661377	0.71
441.7702026	0.28
478.5971680	0.07
483.4798584	0.06
492.5386353	0.69
495.4178467	0.05
499.1322632	0.17
501.8703613	0.37
506.7847900	0.12
507.9281616	0.26
512.5762329	0.11
521.2829590	0.25
525.5241089	0.56
526.1792603	0.25
534.5416870	1.01
535.9732056	0.28
540.3488159	0.23
556.5353394	0.03
557.2332153	0.83
561.0818481	0.18
562.2537231	0.24
564.7453613	0.42
569.2033081	0.12
569.8802490	0.15
571.0609741	1.03
571.8848877	0.57
573.3772583	0.36
574.2135010	1.86
575.2612305	0.28
577.8623657	0.05
579.1799927	0.39
582.5889282	1.66
583.6830444	1.26
584.5915527	0.16
591.4357300	4.17
592.5380249	0.85
598.3563843	0.15
607.3578491	0.38
615.3558960	0.10
633.6076050	0.68
641.8292847	0.20
642.8153687	0.37
646.8037720	0.53
650.0570679	0.22
651.1999512	1.68
652.0165405	0.09
656.0354614	0.41
663.9942017	2.61
665.9239502	0.29
668.2954712	0.07
681.7507935	0.21
683.7100220	0.86
684.5363159	0.29
685.1516724	0.35
686.0703125	0.22
689.0402832	1.10
691.3989258	0.38
701.0187988	1.25
701.7090454	0.68
702.5289917	1.49
703.4064331	0.39
705.5646362	1.04
710.1806641	0.11
714.4187622	0.04
715.2413330	0.32
719.3972778	22.97
720.3411255	4.38
721.4862061	1.20
723.1797485	0.60
724.5144653	0.04
727.6536255	0.11
731.4881592	0.17
732.5094604	0.09
733.9243774	0.12
736.5019531	1.70
737.3450317	0.11
742.4891968	0.83
747.8632202	0.67
760.6654663	5.49
761.6082764	0.22
765.4992676	0.58
769.7297974	0.75
771.9916382	0.52
773.8545532	1.05
775.6533203	0.67
779.0724487	0.45
779.9948730	0.51
780.6244507	0.04
782.3709106	1.82
784.2744751	0.14
785.4197388	0.92
786.6464233	5.81
787.8938599	0.75
791.1522827	20.86
792.0480957	1.22
792.8482666	1.96
793.7456665	0.19
795.2030640	3.49
795.9539185	0.95
796.8840942	1.30
797.5571289	1.27
798.3561401	0.77
800.6912842	0.65
801.4430542	10.67
802.4681396	0.88
804.0206909	0.55
805.5992432	0.36
807.6289673	0.05
808.6604614	0.23
809.8016968	0.61
811.5247192	1.81
812.5798950	0.38
815.0892334	1.12
815.7198486	14.88
816.4468384	2.48
817.2993774	1.39
818.4004517	1.64
819.2679443	0.45
820.7202759	2.26
821.3528442	0.45
822.4130249	0.31
823.2526855	0.32
824.2297974	0.85
826.1968384	23.82
827.3145142	0.50
828.8235474	3.17
833.2413940	1.09
846.6307983	0.05
849.9234009	0.67
852.7911987	0.73
857.3571777	0.32
863.4263306	0.25
865.0448608	0.33
866.0254517	0.30
866.6883545	0.17
871.5552368	0.18
872.8936768	0.84
874.1316528	0.59
876.8718872	20.33
877.5679321	2.15
879.8534546	0.12
880.5259399	0.39
882.8391113	100.00
883.6513062	4.91
884.3524780	0.83
885.6274414	0.36
888.6226196	0.47
889.2619629	5.46
890.4375000	1.82
891.3394775	0.23
893.8233032	0.08
896.7420044	0.24
898.7534790	0.20
906.8704224	0.16
908.9687500	0.10
910.8198242	0.37
911.6395874	0.62
912.4860840	0.49
914.2612915	1.13
915.8582153	0.46
916.7222290	0.18
919.7946777	2.57
920.6716309	0.10
924.1558228	0.29
925.4931641	19.66
926.3261719	1.71
931.6665649	0.61
932.6598511	0.20
934.8007202	0.58
937.4555664	0.25
938.6671753	0.13
943.4418335	0.23
948.4854126	0.43
958.2892456	0.13
960.6812134	0.78
963.0339355	0.27
968.9804688	0.21
970.0061035	0.31
975.7227173	0.14
978.0302124	0.49
981.9848633	1.64
983.2182617	2.63
984.5049438	0.93
987.5231323	16.15
988.2194824	6.27
988.8540649	1.53
989.8367310	0.38
992.7543335	0.45
994.2871704	0.23
995.6103516	0.04
1000.8292850	1.44
1004.0330200	0.33
1005.8654790	1.24
1006.7028200	1.72
1008.4839480	0.19
1011.2251590	1.00
1011.8626100	0.29
1012.6974490	0.10
1013.4702760	0.12
1014.6274410	0.64
1019.8587040	3.66
1021.2756350	0.41
1024.0645750	0.18
1025.5059810	13.50
1026.2336430	3.93
1029.2150880	0.63
1030.0961910	0.25
1031.3063960	0.50
1032.8020020	23.63
1033.6921390	3.12
1036.5980220	0.27
1048.0844730	1.17
1049.1657710	1.16
1051.5358890	0.66
1052.8461910	0.27
1054.5202640	9.26
1055.3527830	0.11
1056.1025390	0.60
1056.8217770	0.12
1060.3745120	9.07
1061.1004640	0.15
1062.6208500	1.76
1063.3072510	0.78
1065.3027340	0.44
1068.3436280	20.70
1069.5419920	0.60
1073.0393070	0.68
1081.6459960	0.53
1085.6088870	1.40
1086.8309330	1.69
1087.6989750	1.62
1094.7866210	0.49
1095.6512450	0.35
1096.3652340	0.84
1097.5751950	1.55
1103.8085940	1.22
1104.7877200	0.21
1112.6347660	1.44
1113.6262210	0.42
1116.0142820	0.22
1118.6027830	0.15
1122.3919680	0.14
1123.2156980	0.53
1123.9230960	0.15
1128.2204590	0.47
1131.7312010	0.18
1133.1955570	0.58
1140.7280270	0.72
1141.7437740	0.05
1142.7882080	0.10
1147.2293700	0.20
1164.2895510	0.17
1166.8186040	0.29
1170.2971190	0.08
1172.6052250	2.44
1173.7263180	2.34
1174.5989990	0.55
1175.3228760	0.07
1177.1595460	2.29
1178.2567140	1.17
1181.3083500	0.15
1182.0242920	0.38
1184.9584960	0.20
1212.9246830	0.56
1221.4577640	0.17
1223.6079100	0.26
1225.3232420	0.07
1233.6330570	0.33
1281.0307620	0.38
1282.7423100	0.38
1288.1287840	0.73
1292.4522710	0.13
1300.8487550	0.15
1301.6351320	0.06
1335.9525150	0.74
1338.7509770	0.08
1354.8825680	0.06
1359.2010500	0.22
1370.5288090	0.06
1389.5101320	0.27
1399.4825440	0.33
1458.6024170	0.14
1480.1210940	0.27
1490.2635500	0.30
1508.7326660	0.50
1526.7598880	0.21
1542.5690920	0.47
1544.7496340	0.14
1570.1212160	0.29
1581.5822750	0.08
1721.8034670	0.34
1754.2144780	0.11
1800.8665770	0.25
1916.3171390	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	589.2458
Annotation	Swietenin F
Peak:m/z	Relative Intensity
209.9867554	0.01
214.1253357	0.01
220.1367340	0.01
279.4119568	0.01
284.3471680	0.01
307.9786377	0.01
343.1928101	0.02
347.3054810	0.02
418.4843140	0.01
427.5258789	0.01
449.7846069	0.05
457.3601685	0.01
475.4791260	0.01
477.5492554	0.01
499.3701172	0.04
503.7189331	0.01
510.6617432	0.05
513.3713989	39.15
514.3750000	10.69
515.0057983	0.02
516.1100464	0.04
517.2522583	0.02
518.6144409	0.02
519.6965942	0.01
521.5158691	0.07
522.4366455	0.01
526.4049683	0.01
531.3223877	0.02
533.4625244	0.09
535.3754272	0.17
539.4909668	0.06
542.1818237	0.01
543.3042603	0.13
545.3464355	100.00
546.3414307	23.94
547.1139526	0.08
549.2443848	0.05
553.5525513	0.03
556.5735474	0.21
557.1798706	1.66
558.1814575	0.29
560.4796753	0.03
562.3287964	0.05
571.3587646	0.06
572.3550415	0.01
589.0930786	0.03
590.1300659	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	587.91
Annotation	Unknow
Peak:m/z	Relative Intensity
273.0452881	0.96
274.1041565	0.64
275.0727539	0.20
309.3494263	0.27
359.2984009	0.30
387.5921021	0.21
401.1578369	0.12
427.0447388	3.29
428.1164551	2.71
454.3106689	0.16
455.1087036	0.20
458.0568237	0.04
473.0418091	3.32
474.1069336	1.97
482.6482544	0.17
486.0265503	0.09
491.0749512	0.18
504.0300903	0.24
512.0791626	0.09
519.1555786	0.09
529.1230469	0.16
530.2506714	0.10
540.8605347	100.00
541.8283081	69.76
542.6449585	0.46
543.8092651	0.50
556.7215576	0.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	643.31
Annotation	Trichoverritone
Peak:m/z	Relative Intensity
221.0737000	0.04
224.8084106	0.08
228.3239136	0.11
251.4486084	0.21
261.2779541	0.04
262.7816162	0.20
265.0433960	0.19
267.3435364	0.07
271.2976685	0.22
281.5127563	0.18
283.1853027	0.05
285.0385742	0.33
286.8936157	0.13
302.2432251	0.22
317.4825439	0.05
319.1047363	0.05
323.1414185	0.04
328.9642334	0.09
337.1305542	0.08
343.3482056	0.03
346.3997192	0.17
351.0573120	0.27
351.9641724	0.03
355.9758911	0.67
365.1909180	0.03
370.9486084	0.18
372.1047363	0.34
377.4312134	0.05
401.2543945	0.06
407.6188965	0.10
415.3494263	0.48
417.2982178	0.23
435.5532227	0.19
445.0711060	0.08
446.1334229	0.23
451.4515381	0.08
457.5867920	0.09
458.9750366	0.03
474.2263794	0.12
478.3145142	0.06
485.2169189	0.13
486.3189087	0.20
493.4434204	0.04
495.2786865	0.08
497.1467896	0.14
499.6664429	0.11
502.3309937	0.17
504.1173096	0.03
506.5501709	0.17
507.4197388	0.04
510.2640991	0.21
513.3783569	0.18
517.4978027	0.21
523.6328735	0.35
525.3712769	0.53
526.4308472	0.16
532.8956299	0.08
533.7635498	0.12
535.1891479	0.22
538.4512329	0.05
547.5661011	0.09
548.2073364	0.11
553.8544312	0.06
555.3104858	0.10
557.4810791	0.37
561.3674316	0.12
562.0421753	0.09
566.3654175	0.57
567.4603882	4.66
568.5676270	1.51
569.3973999	0.08
570.3717041	0.31
575.3047485	0.26
579.2893677	0.37
580.5432129	0.04
581.3186646	0.35
582.1636963	0.07
583.4613037	5.40
584.4850464	0.91
593.4194336	0.37
597.2416382	0.49
599.4263306	100.00
607.2351685	0.36
611.2219849	22.58
612.5093994	0.67
613.1301880	0.23
615.3917847	0.65
624.4747314	1.12
625.2813110	0.43
626.0198975	0.48
626.8950195	0.09
643.7174683	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	959.2809
Annotation	1,2,2'-Trisinapoylgentiobioside
Peak:m/z	Relative Intensity
273.6657715	0.04
275.3482361	0.03
277.1697998	0.49
281.0626221	0.04
287.1935730	0.42
289.1743774	2.34
290.1110840	0.57
295.1309204	1.61
300.3563232	0.03
303.3279724	0.20
308.1833191	0.05
313.3688049	0.25
314.4873352	0.04
319.0557556	0.46
325.1575928	1.40
326.2689209	0.48
331.3407593	0.15
332.3241577	0.16
349.4337769	0.13
352.8505249	0.06
367.2030640	1.45
368.3883057	0.14
371.3717346	0.07
385.1552734	2.28
386.2398682	0.46
395.6121826	0.03
413.3296509	0.29
427.1735840	3.21
428.3660278	0.39
443.8709106	0.03
456.9707031	1.06
457.7819824	0.02
467.2070923	0.09
469.2318115	0.77
470.0971680	0.35
479.3297729	0.37
487.0952759	0.76
487.9931641	0.04
493.2167969	0.21
494.3405762	0.07
497.3437500	0.51
498.0310669	0.03
511.1915283	4.50
512.2240601	1.09
515.2040405	0.04
525.1812744	0.14
529.1766357	4.53
530.2980957	1.13
531.3569946	0.04
547.3908081	0.08
551.3508911	0.07
573.2285767	0.09
591.2216187	0.45
592.2273560	0.16
633.3088989	1.14
644.9406738	0.04
661.2896729	0.05
673.4816284	0.07
675.4271240	0.69
679.0674438	0.16
688.2013550	0.02
689.3411865	0.02
692.0654907	0.06
693.2136841	0.27
694.4060669	0.13
699.2474976	0.13
699.8877563	0.15
703.0265503	0.07
704.5149536	0.14
715.2451782	0.03
717.2996216	1.82
718.2921753	0.25
721.4022827	0.70
729.7445679	0.09
735.1832275	100.00
736.2124023	27.15
737.2100830	0.56
753.2184448	2.18
754.4743652	0.23
793.2070312	0.04
805.2005005	0.04
831.8579712	0.09
855.2197876	0.06
882.2262573	0.18
898.7574463	0.11
900.3569946	0.07
941.0654297	0.16
942.0607300	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1121.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
331.2626953	0.34
341.4917908	0.37
367.2956543	0.07
384.8564453	0.22
386.3171387	0.24
425.5277100	0.23
427.0969238	0.79
449.1455994	0.34
457.2086182	0.21
467.6682739	0.20
473.3240967	0.10
485.5476074	0.19
487.2828369	0.98
488.0966492	0.19
492.0807190	0.07
495.2371521	0.24
510.9147339	0.08
511.5556641	0.61
513.1513672	0.29
529.0899048	2.69
530.0968018	0.28
535.0750732	0.49
543.3513794	0.34
547.1044922	3.47
571.2751465	0.91
589.2709351	12.84
590.3023682	1.89
601.5234375	0.24
619.1464844	1.82
620.2572021	0.07
622.6371460	0.14
629.7675781	0.18
631.3709717	2.13
649.2506104	0.23
655.2302246	1.47
659.3970947	0.20
673.1877441	6.72
674.2185059	1.30
691.3135986	3.76
692.5982056	0.35
693.2744751	0.39
723.4622192	0.39
734.6737061	0.15
735.3305664	1.85
736.4165649	0.13
753.1984863	1.88
754.4217529	0.39
777.2792969	0.43
795.2161865	17.58
796.2465210	2.09
823.3964844	0.11
825.0664062	5.48
826.4835205	0.19
837.3499756	2.21
841.4680176	0.07
855.2083740	8.94
856.3154297	1.60
861.6549072	0.27
864.9093018	0.35
869.3560791	0.13
870.1391602	0.24
879.2669678	4.70
880.0844727	1.43
882.7332764	0.14
897.2368164	100.00
898.3659668	18.80
915.0468750	5.08
915.8638916	0.67
916.4782715	0.13
955.2796631	0.10
959.1729736	6.41
960.3260498	0.91
967.6026611	0.27
968.4553223	0.32
973.4774170	0.14
987.2124023	0.12
1043.2354740	0.50
1044.6984860	0.26
1059.2276610	0.28
1061.0490720	1.32
1061.9552000	0.15
1100.1961670	0.09
1103.0310060	3.94
1103.8758540	2.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.17
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
113.036499	2.00
125.1597443	0.66
141.0435181	0.50
169.6544189	4.08
170.267395	0.73
183.0069733	100.00
184.0825806	16.44
185.0280457	2.88
193.3863373	1.55
195.1422424	0.47
196.9488525	13.09
198.0033112	6.00
202.1202545	0.80
209.044281	0.63
210.0161743	0.53
210.9552002	6.15
212.0624084	5.35
213.0732727	1.42
223.1314392	1.62
224.9716797	1.50
225.9893188	3.87
234.2522888	1.21
237.3315735	0.80
239.2691345	8.19
240.1384277	2.87
241.1617126	1.69
243.1665344	0.77
247.13974	9.91
248.359436	1.03
249.1723938	8.25
252.954834	1.09
253.8928528	1.08
263.1637268	0.55
267.274353	16.79
268.1988831	0.38
275.3777771	0.54
281.2104797	1.64
283.2097168	0.94
284.2094116	0.79
293.2498474	33.86
295.1509399	0.47
311.1654968	10.92
312.3301392	9.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	322.0931
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
95.0735397	0.18
101.1213074	0.18
112.9828491	2.64
116.0116425	9.69
119.1338425	0.12
128.8541260	0.15
130.8080902	0.31
142.9684753	0.96
148.7057190	0.06
160.0729828	94.93
161.2063904	0.08
163.0910034	0.30
170.1981659	0.13
172.1766052	0.39
174.2182312	0.23
175.8334045	0.08
178.9678802	0.86
179.9208679	0.06
182.2358856	0.15
191.9418488	0.04
202.0975189	25.73
212.3058472	0.18
214.0039368	0.08
216.9167175	0.11
226.0539856	0.08
229.9423828	0.12
232.0912476	8.27
234.1493225	0.49
234.9040833	0.23
235.8983765	0.16
237.5182495	0.09
241.1241150	0.14
242.4138184	0.14
244.1512756	0.35
246.3428955	0.21
250.1741028	0.09
259.9428101	0.18
262.0757446	100.00
263.1004028	0.24
276.5011292	0.25
277.2662354	0.05
277.9164734	0.08
279.0616455	0.39
283.7808228	0.10
285.9374390	0.29
287.1080322	0.04
291.9964905	0.05
303.3095093	1.27
304.2038269	1.21
305.2571411	0.05
306.0737000	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	158.9784
Annotation	Unknow
Peak:m/z	Relative Intensity
69.0363998	0.06
70.8985901	0.46
73.0410461	0.08
87.0406113	0.03
97.1450653	0.01
98.7826386	0.04
114.8562927	100.00
130.9182129	5.53
141.0146027	0.20
159.0932922	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
127.3153687	3.47
141.0388947	1.93
155.123642	1.31
161.0187378	4.42
167.2527161	3.69
169.2220306	1.02
175.1134796	2.55
181.0754852	4.66
183.213913	7.86
189.2520599	3.05
195.1790771	9.25
197.293045	1.46
203.2167053	2.33
206.2193756	8.32
207.2353058	33.69
208.1591187	1.81
209.2793732	26.48
214.9831085	23.86
221.0965729	1.65
222.2500458	2.02
223.2309113	13.44
224.1064606	2.56
233.0530243	15.02
235.3262939	1.96
251.0667572	100.00
252.1664581	15.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	206.89
Annotation	Unknow
Peak:m/z	Relative Intensity
122.8995972	100.00
123.5386353	0.01
132.9224854	0.11
144.9923096	0.09
148.9107666	0.03
150.9809875	0.11
188.2295532	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	479.71
Annotation	Unknow
Peak:m/z	Relative Intensity
149.0707092	0.10
232.1698914	0.08
241.0490570	0.32
271.0820618	0.22
285.9387207	0.58
289.2218628	0.12
301.4749756	0.54
318.9472656	0.54
320.0542603	0.19
360.2547302	0.19
363.6772461	0.18
367.6169128	0.41
375.1684570	1.78
387.9101562	0.51
389.7402039	100.00
390.8364868	6.24
391.8153076	0.57
393.1808777	0.41
403.8084106	0.22
405.5842590	0.18
407.6265564	13.96
408.8165588	2.18
409.9894409	0.44
417.9561157	1.37
419.4594116	0.13
425.7871094	0.59
428.0200195	0.57
428.6450500	0.51
429.2612000	0.26
432.9809265	0.30
434.7770386	51.67
435.8152771	37.60
436.8454285	1.26
438.6700134	4.75
440.0603333	0.11
442.3913879	4.93
443.3326721	0.77
449.1622009	0.60
451.2463074	0.72
452.0812683	5.03
453.0553894	1.78
453.6901550	0.54
454.4092102	0.71
456.6027527	4.48
457.2982483	0.62
458.6666260	5.87
459.3999939	6.35
460.9004822	1.92
461.8859558	1.39
463.7716675	1.75
465.0325317	3.28
466.2008667	4.88
467.6270447	0.97
468.6338196	1.04
470.1459045	1.09
470.8960876	2.20
471.7002563	0.72
474.0964050	0.24
475.1490784	1.32
478.1611633	1.22
479.0785217	1.23
479.7685242	0.15
482.5027161	0.32
488.2778015	0.21
489.1476440	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	277.14
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
94.97436523	2.38
104.9093933	3.85
106.7485275	7.07
109.0436859	4.50
112.8729095	3.57
120.9486389	23.04
122.9401779	2.68
127.0228806	53.85
134.0059204	86.72
134.9876099	9.31
137.1152344	1.83
147.1286926	19.31
151.1177521	6.22
163.2369385	1.39
179.1460724	7.49
183.1016388	3.37
201.3623352	3.82
205.1014709	15.92
215.3883667	1.10
233.1523438	100.00
235.250946	30.32
241.0970459	9.50
243.2002563	0.87
244.2891235	2.15
245.2460327	2.02
247.2021179	4.20
249.1824341	8.63
258.4162292	3.22
259.3486328	15.75
262.2612915	2.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	988.15
Annotation	Unknow
Peak:m/z	Relative Intensity
298.9685669	0.20
328.2948303	0.11
387.3152466	0.18
454.1296387	0.26
487.4183960	0.18
504.2773743	0.46
509.5563965	0.49
528.0213013	0.65
568.8583374	0.50
573.2315674	1.34
594.1265869	0.43
602.4760742	0.13
644.5503540	0.44
687.5744629	0.64
755.4693604	1.02
757.6813965	0.42
802.4040527	1.09
815.2607422	0.32
825.4631348	0.09
835.7686768	0.18
837.4875488	0.44
872.5949707	0.28
876.4414062	0.09
883.1346436	0.30
916.4019775	4.39
919.5057373	0.22
939.8361816	2.30
942.6986084	3.63
946.8803711	2.75
952.5117188	3.05
953.8011475	4.31
955.8803711	2.86
956.4899902	0.42
957.9547119	1.68
961.0502930	3.76
961.8822021	0.08
963.8928223	0.74
964.6688232	2.28
965.4219971	2.71
967.9855957	4.24
968.9061279	1.34
969.8664551	0.59
971.8908691	5.94
973.6510010	0.47
993.1718750	0.73
997.4506836	3.43
1001.1064450	4.01
1031.6809080	2.47
1041.0410160	0.30
1045.2761230	0.41
1048.7644040	4.38
1050.0786130	0.28
1052.1407470	3.15
1054.6059570	0.99
1055.6049800	2.50
1062.8406980	1.68
1063.9061280	3.05
1076.5070800	6.36
1077.1553960	4.35
1077.9957280	3.11
1079.4118650	0.51
1080.6466060	0.91
1082.4760740	2.92
1083.1247560	0.94
1084.6634520	6.31
1086.5627440	1.98
1087.8498540	5.11
1089.0327150	0.57
1090.0520020	10.62
1090.9423830	0.20
1091.8852540	5.40
1092.8280030	9.17
1094.2475590	0.78
1096.1405030	0.41
1097.8897710	1.62
1099.0205080	9.94
1099.6484380	4.10
1102.2642820	0.32
1103.4714360	2.51
1106.6928710	10.31
1107.6513670	2.47
1108.2873540	3.48
1109.5603030	0.29
1110.2623290	0.83
1112.1867680	5.04
1113.5295410	8.50
1114.8750000	4.78
1115.4826660	4.05
1116.5791020	20.15
1117.3525390	25.68
1118.2059330	3.67
1119.3461910	2.95
1120.9340820	0.34
1122.5047610	9.11
1125.6141360	26.59
1126.2639160	0.50
1128.3713380	9.13
1129.6042480	14.69
1130.7037350	14.12
1131.5296630	1.00
1132.4687500	1.03
1133.9526370	100.00
1135.4553220	2.03
1136.7521970	20.90
1137.6635740	0.96
1138.5496830	3.43
1139.9057620	0.93
1145.5883790	1.60
1146.6551510	1.09
1185.0462650	2.83
1187.1351320	1.55
1192.5351560	2.84
1198.7736820	1.66
1204.9555660	2.12
1206.3513180	2.16
1209.2677000	0.83
1213.9614260	0.95
1214.9056400	0.19
1216.9848630	1.98
1220.6914060	2.71
1224.0168460	1.86
1226.1862790	1.60
1228.7580570	4.09
1232.1479490	10.44
1232.9768070	1.65
1234.8083500	3.53
1236.5123290	4.51
1237.1422120	2.25
1240.5544430	7.26
1241.5596920	2.74
1243.0560300	6.29
1244.0074460	3.12
1246.4111330	7.19
1247.3391110	1.18
1248.9460450	2.85
1251.2384030	3.64
1253.4084470	1.64
1254.1987300	0.87
1255.2656250	1.27
1255.9755860	1.34
1258.6003420	0.99
1259.5637210	5.54
1262.1230470	8.41
1262.8666990	3.16
1263.6025390	0.16
1264.8286130	2.59
1266.0969240	2.77
1267.3299560	1.91
1268.5284420	1.47
1269.4873050	1.89
1271.0490720	2.87
1272.6333010	2.14
1273.6005860	1.47
1274.3515620	0.19
1276.2136230	0.40
1278.0596920	3.96
1279.6767580	3.38
1282.2631840	1.08
1285.5516360	0.42
1288.0401610	2.91
1288.9677730	2.16
1290.0194090	2.75
1291.5213620	1.44
1292.2374270	2.77
1292.9039310	1.19
1293.6378170	1.43
1294.6990970	2.95
1295.9349370	3.96
1296.7852780	5.84
1297.7706300	4.86
1298.6661380	0.59
1299.7425540	0.26
1301.0137940	0.59
1301.7491460	2.07
1305.0452880	3.35
1305.9920650	2.41
1306.7650150	1.60
1311.5579830	2.59
1313.0271000	1.50
1313.9724120	0.19
1315.3145750	8.75
1316.3552250	2.82
1317.3560790	2.97
1318.4235840	7.27
1319.4764400	1.43
1320.9492190	1.98
1322.3096920	1.33
1324.0660400	3.89
1324.7711180	1.44
1326.7174070	0.46
1327.8586430	11.70
1329.3275150	0.18
1330.3194580	2.50
1331.2886960	3.67
1332.2047120	0.35
1338.1156010	2.25
1340.5169680	3.03
1341.3502200	0.32
1342.8602290	0.25
1345.1180420	2.15
1346.6358640	2.01
1349.0502930	0.31
1351.9466550	1.40
1353.9019780	2.25
1370.1644290	1.52
1374.3634030	1.26
1389.2143550	0.61
1402.2436520	1.53
1413.0299070	1.75
1420.2852780	2.48
1428.5660400	1.22
1436.5313720	1.01
1444.3834230	1.45
1453.6063230	2.01
1466.3768310	1.73
1467.1075440	1.53
1469.8881840	2.75
1472.2308350	1.44
1474.8985600	3.59
1478.6405030	2.95
1491.7857670	1.72
1501.3626710	1.05
1502.5133060	1.16
1505.1728520	1.50
1509.3198240	4.21
1510.0723880	2.01
1512.7437740	3.82
1515.7821040	1.97
1518.0756840	0.32
1518.8974610	0.78
1524.7537840	2.16
1525.8612060	0.91
1528.9144290	3.93
1530.6273190	2.04
1532.1734620	3.92
1539.6701660	2.77
1542.4290770	1.94
1543.1423340	1.70
1545.8422850	1.54
1547.5090330	1.86
1549.1237790	4.92
1549.7860110	0.99
1550.8602290	1.10
1554.6401370	0.53
1561.1872560	0.73
1567.7349850	1.41
1578.3372800	0.85
1579.0860600	2.29
1580.5672610	1.24
1582.3582760	3.46
1584.8887940	3.38
1585.6868900	5.63
1588.4008790	1.31
1589.0565190	1.17
1592.1966550	1.11
1596.9531250	2.34
1599.2425540	1.26
1602.7457280	1.92
1604.5284420	0.93
1606.9536130	8.43
1607.8052980	0.29
1612.5762940	2.38
1621.1536870	4.55
1622.0245360	2.21
1629.6441650	0.50
1631.1335450	1.20
1633.6441650	1.15
1639.5633540	1.71
1642.0948490	2.03
1647.9534910	0.50
1650.3884280	0.13
1666.8728030	1.21
1670.5948490	0.94
1672.4201660	0.63
1673.1326900	0.72
1675.2630620	0.80
1676.6423340	0.60
1709.6451420	0.85
1717.0557860	0.15
1771.5389400	1.60
1776.1798100	1.25
1825.3883060	0.44
1826.7126460	0.12
1830.8555910	0.43
1880.9455570	0.69
1926.9903560	1.75
1976.0974120	0.50
1983.2108150	1.50
1983.9514160	1.20
1988.3001710	1.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	474.26
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
134.9558105	0.06
152.9568176	0.02
161.0659790	0.03
196.0468903	0.10
214.1389008	1.31
220.8699646	0.09
221.9214478	0.12
231.3440247	0.05
233.1874390	0.10
237.2702484	0.11
248.8645935	0.06
250.4607849	0.01
259.4383850	0.13
275.3690796	0.20
277.2688599	100.00
279.2401123	0.24
304.9118042	0.15
305.8975830	0.15
314.0839844	0.03
315.3148193	0.04
353.2713623	0.15
363.4533997	0.03
378.2778015	0.10
384.5208130	0.11
386.3716736	0.20
388.5413513	0.03
395.2976379	0.06
396.2738342	0.02
398.2173462	0.06
421.0657043	0.04
428.2161255	0.50
429.3843689	0.08
430.0651245	0.19
430.7054749	0.09
436.2208557	0.28
437.6146851	0.21
438.3314819	0.15
439.3424377	0.17
442.4586182	0.19
449.1293945	0.07
455.7492065	0.19
456.4473877	0.75
457.3249512	0.05
473.6811218	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	384.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
131.9115601	100.00
144.8599396	0.42
156.2714844	0.37
162.8906860	0.89
175.3704224	0.12
186.5656433	0.29
198.9679871	0.28
203.3700714	0.12
207.2966919	0.16
215.0887604	0.22
216.7869873	0.15
220.0876617	0.36
221.8579407	0.20
229.1635742	0.14
234.0294800	0.43
235.1629028	0.22
251.7417297	1.50
252.9746399	9.51
255.8327942	0.25
263.8615112	0.25
283.2501221	0.69
286.3051147	0.36
293.7295837	1.80
304.3123169	0.24
311.9649658	0.20
316.6526489	0.75
317.2535400	0.87
320.1455383	0.54
324.7556763	0.22
329.8254395	0.28
338.9585266	0.45
342.9962158	0.14
346.8382874	0.46
365.2937317	0.49
366.0611572	0.33
374.6897583	1.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	613.13
Annotation	Cefpiramide
Peak:m/z	Relative Intensity
287.6347046	0.16
305.2260132	0.22
309.1886597	0.18
312.3540649	0.17
354.9891357	0.23
356.4022217	0.08
357.2859497	0.06
358.5886230	0.15
373.9102783	0.58
383.2134399	0.20
397.1623535	0.33
410.1274414	100.00
436.4397583	0.22
441.3256836	0.10
463.3850708	0.21
474.3243408	0.18
483.8827515	0.50
512.9868774	0.25
524.1727295	0.23
525.3923950	0.05
532.5781860	0.08
546.9810181	0.29
548.3561401	0.13
552.3777466	0.58
562.5654297	0.64
567.9907227	0.32
576.3490601	0.07
576.9756470	0.50
580.5512085	0.94
581.5312500	0.33
594.3606567	0.68
595.5184326	0.33
601.1408081	0.98
624.3526611	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	348.1088
Annotation	Voriconazole
Peak:m/z	Relative Intensity
112.8938751	0.06
115.8852386	0.10
123.4472351	0.08
145.9599609	0.08
148.1786346	0.07
157.9596558	0.05
158.9017029	0.18
162.4843445	0.07
163.7829742	0.05
170.1476746	0.09
172.1044312	0.32
184.1112518	0.08
186.0066833	0.03
187.9801331	1.40
196.3228760	0.05
197.2207031	0.47
204.1435547	3.30
205.9652710	0.11
209.4152374	0.04
210.1739044	0.08
212.1687927	0.07
214.0570068	0.37
216.1849670	0.27
217.8670349	0.18
218.8942871	0.10
226.1960449	0.03
228.1375122	0.08
230.0439148	3.16
232.1766357	0.08
239.2614441	0.04
242.0469055	0.52
243.2381897	0.37
244.1204529	0.55
246.1598206	0.09
247.0439453	0.30
249.2261658	0.09
252.1969910	0.03
256.2141113	0.90
258.2551270	0.13
260.0992432	5.65
270.1375122	4.37
282.2445374	0.11
283.4169312	0.03
284.1564331	0.07
286.3265686	0.54
288.1512451	100.00
291.9489136	0.04
294.2442932	0.02
301.4488831	0.10
302.1653137	0.26
303.9041138	0.68
306.1012573	10.37
311.9716492	0.50
313.3406372	0.10
318.2327271	0.07
320.1358337	1.25
328.0405884	0.16
329.3025818	1.13
330.2084961	1.88
331.0833740	0.05
332.1342163	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	259.0918
Annotation	Ribothymidine
Peak:m/z	Relative Intensity
83.9973297	0.78
102.1045074	0.03
104.1357880	0.04
104.8014221	0.02
115.9056854	0.12
123.1330719	0.02
126.8166504	0.07
129.9511566	100.00
146.0518036	0.05
150.5478668	0.06
157.0603638	0.04
170.1507416	0.07
173.0173187	0.05
197.1880341	0.06
213.2112274	0.09
224.1992645	0.09
229.4087067	0.03
240.0363922	0.04
240.8934326	0.12
242.0901489	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	409.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
125.0193329	0.05
138.8913879	1.22
149.1019287	0.09
151.0205078	0.47
152.1026001	0.04
164.7638245	0.15
167.1123047	0.53
168.9836578	0.13
181.0202942	0.40
194.9964142	0.16
203.1381378	0.10
209.2630157	0.35
218.9946442	0.07
223.0495300	1.47
238.9731750	0.63
241.0912476	100.00
241.9616699	0.21
278.1557007	0.06
278.9508972	0.09
303.2973328	0.09
311.1483154	0.31
313.3562622	0.27
317.2456055	0.16
318.9726868	0.12
325.0531006	0.22
329.2392578	1.41
360.2086487	0.18
362.9989624	0.24
365.0923157	0.40
366.4447632	0.11
373.1856689	0.12
389.3091736	0.17
391.0622559	0.80
391.9825439	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	658.2
Annotation	Geodiamolide O
Peak:m/z	Relative Intensity
188.0835114	0.07
198.8600006	0.02
203.8223419	0.22
217.1900940	0.08
217.8020630	0.17
219.9384308	0.18
231.0356750	0.08
232.4155884	0.15
233.4734192	0.07
235.0163269	0.02
235.8442383	0.27
244.9631805	0.21
245.9812927	0.66
257.9375916	0.68
258.9494629	0.07
260.9628296	0.01
261.8988037	0.47
270.7570801	0.02
274.0787964	0.29
274.9940186	0.44
275.9812622	0.19
278.0575562	0.18
283.9067993	1.85
286.2111511	0.06
290.1517639	0.45
291.8056030	0.02
292.6867676	0.06
296.9043884	0.08
302.2083130	0.11
303.9047241	0.29
305.8710327	0.34
306.7734985	0.05
308.1456909	0.18
309.1440430	0.55
313.1555176	0.08
315.0177612	0.54
316.0028687	1.86
317.0576782	0.10
317.8054504	0.29
319.9214478	0.16
324.8786621	0.01
328.0112305	0.04
330.8128052	0.08
332.9721069	2.08
333.6923523	0.04
334.3383179	0.02
337.9512939	0.23
339.2358398	0.02
340.8817749	0.08
344.0917969	0.06
346.0485229	0.24
347.0021362	0.27
348.2908325	0.58
354.6623535	0.04
355.2872314	0.09
357.8610229	0.19
360.2708740	0.02
362.1806641	0.27
363.9173584	0.73
365.0329590	3.01
366.0592651	0.28
366.9773560	0.04
373.8504639	0.04
377.7980957	0.02
380.0411377	1.73
381.0056763	0.40
382.0194702	0.85
384.2097778	0.07
386.9664917	0.17
387.9866943	0.05
389.7137451	0.10
397.8330688	5.09
398.8740234	0.73
404.0601807	0.30
404.7554321	0.10
411.0258789	0.06
414.9835815	0.88
416.0238037	2.28
428.9714355	0.29
433.9507446	0.06
435.9046631	0.10
437.0739746	0.01
441.2189331	0.09
444.9383545	0.55
446.0480957	0.16
446.7041626	0.04
448.2067871	0.41
460.8543091	0.07
462.8044434	1.39
464.0657349	2.14
468.2955322	0.06
469.3115234	0.08
473.3905640	0.06
476.1954346	0.22
477.8924561	100.00
478.8692627	0.27
479.7835693	0.19
482.1279907	0.04
487.0093994	0.08
488.0925903	0.02
492.7611694	0.09
495.8615112	4.90
496.5319214	0.10
500.1882324	0.06
509.2144775	0.11
525.0065308	0.03
527.0158691	4.38
529.3624878	0.10
533.6071167	0.03
540.9604492	0.18
542.1323242	0.05
549.6882935	0.18
550.3012695	0.03
555.1463623	0.13
559.6547241	0.31
560.2847290	0.12
567.4506836	0.20
568.4911499	0.37
577.0012207	0.25
578.1300659	1.32
597.6447144	0.09
598.7786865	1.23
611.3886108	0.17
612.0368652	0.05
613.9583130	0.05
616.2459106	0.01
637.9887695	0.06
638.8435669	0.09
639.9069214	1.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	844.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
263.1931763	0.03
291.4464111	0.06
338.8249512	0.05
379.0405273	0.02
445.5668945	0.03
567.4840698	0.04
571.8594360	0.03
585.4180908	0.03
587.1988525	0.02
591.0891724	0.82
593.1109009	100.00
593.8948364	0.66
594.6010132	0.08
629.2751465	0.11
646.5194702	0.07
671.4208984	0.09
679.4057007	0.04
689.2933960	0.08
704.5082397	0.02
775.4114380	0.10
783.3813477	0.02
784.3400269	0.03
788.3689575	0.16
797.4342651	0.04
799.5585938	0.03
800.9548340	0.05
806.8762817	0.02
809.1327515	0.03
811.4573975	0.04
814.0253296	0.14
822.6649780	0.19
825.2610474	0.03
826.2040405	0.02
844.8509521	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	406.1
Annotation	Unknow
Peak:m/z	Relative Intensity
129.0741272	0.04
212.9861298	0.63
231.9899292	9.95
232.9877930	0.07
234.0626221	0.09
251.0297852	100.00
251.9142761	0.05
254.0020142	0.01
269.8193054	0.05
274.2319641	0.10
282.0846863	0.02
309.5517578	0.03
310.5805359	0.06
320.0514832	0.20
320.7849121	0.07
321.9339294	0.46
323.4671326	0.09
326.0225830	0.13
328.1192627	0.19
343.1390991	0.04
345.4722900	0.13
346.2277527	0.18
360.3743286	0.13
362.3033142	0.02
364.3548279	0.13
387.2822876	0.72
388.3649902	0.27
389.0832825	0.06
405.3739929	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	356.08
Annotation	Unknow
Peak:m/z	Relative Intensity
109.9339218	0.22
133.8748169	0.07
149.8987732	0.28
159.9125671	0.15
161.1130829	0.32
173.0371094	0.04
174.9648438	1.73
175.9608765	0.56
185.9815979	0.15
193.0177612	3.22
194.0054626	3.25
195.2366791	0.18
200.1926880	0.35
200.9155273	0.21
204.2670441	0.18
205.0124664	0.05
207.3409119	0.11
209.3886108	0.08
212.0852509	0.10
217.0274963	2.27
218.1270752	3.48
222.8955994	0.20
226.1338806	0.06
230.1539001	0.12
232.9807129	0.31
235.0342102	0.35
236.2825012	0.11
248.1546326	100.00
255.9031982	0.13
260.0140686	0.16
265.1861877	0.53
273.8703003	0.37
286.0316162	0.08
292.1934814	0.64
294.0596313	0.81
294.9351196	0.11
296.1790161	0.75
297.9781189	0.05
310.0812378	0.74
311.8648071	0.39
313.0409241	0.08
313.8398743	0.11
318.0206299	0.63
320.0071411	1.53
320.7609253	0.09
323.2943726	0.11
325.1771851	0.14
327.2440796	0.10
334.5808105	0.11
337.4871826	0.32
338.2051086	0.75
340.3842163	1.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
85.26929474	5.90
94.90422058	2.06
96.97938538	12.08
109.245163	4.60
124.3353729	3.22
145.1309357	4.94
149.095047	3.83
153.1033478	3.27
160.6954651	14.91
165.3229218	4.23
169.4138794	1.82
179.0847015	4.77
183.3066254	15.70
191.0288849	7.59
195.3504791	13.96
203.3449097	3.21
204.9387207	6.83
207.1233368	29.65
208.0220795	8.89
209.3233032	21.57
212.7793579	3.48
214.9120331	20.91
218.1184387	1.59
221.2116089	6.00
222.0149994	2.58
223.1381073	10.23
224.0055695	1.61
233.2202759	15.22
251.0792236	100.00
252.2089386	20.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
79.72691345	0.69
82.95768738	0.45
96.66474915	0.80
98.72131348	0.48
117.2972565	0.85
148.9079132	2.01
153.1054688	1.07
155.069931	1.53
163.1707001	1.01
164.9673004	0.36
167.2793121	0.77
169.3278351	0.73
177.0793304	3.20
178.0893402	0.39
179.182373	3.65
181.1561584	1.65
182.7692719	1.05
185.1718597	2.20
189.1129456	0.80
190.9454193	2.56
192.0601959	1.17
193.0220337	0.89
195.1704865	5.71
197.3336029	1.00
202.8423615	0.62
207.05867	16.62
208.0930939	10.17
209.1620331	8.00
214.9146271	8.37
222.2210236	4.40
223.1196594	12.03
224.2368927	0.68
233.1163177	15.49
235.0175781	1.07
236.127121	0.81
251.0673218	100.00
252.1908569	10.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
77.00862122	0.27
95.99357605	0.48
102.7447662	0.31
107.9659424	0.23
109.1825714	0.77
121.0106354	0.50
122.0597382	0.40
128.9617004	1.19
129.9705048	5.42
145.9250946	2.13
147.8346405	0.79
151.0079193	31.81
152.0186462	15.74
154.1777191	0.91
154.9125214	1.90
166.0276947	0.77
167.0539703	0.15
168.2644806	0.30
169.0896912	0.79
170.2144318	1.32
171.9489288	0.77
176.2229767	0.70
178.2093201	0.88
179.0206146	0.56
180.0524139	1.10
182.9700165	0.95
185.1473236	1.27
186.236084	0.91
188.1466522	0.76
189.942215	0.33
194.1386414	1.15
195.146286	0.91
197.0801849	0.70
198.192276	0.15
199.1690216	1.30
206.0080719	6.48
208.1988068	0.44
211.2191315	1.98
218.2493134	1.28
225.9039764	5.70
236.0713654	16.80
237.3054352	0.25
238.2492676	1.00
239.1132965	10.92
251.2008667	0.30
253.0911865	100.00
254.0883331	43.71
255.0852051	0.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	607.2539
Annotation	Phaeophorbide b
Peak:m/z	Relative Intensity
181.3592682	0.02
191.9570923	0.03
193.2540741	0.16
209.1359100	0.06
212.8852539	0.03
220.2165527	0.07
221.0413818	0.22
222.3759155	0.08
224.1807556	0.20
225.1704102	0.10
235.2637634	0.02
237.3463898	0.06
238.2633362	0.20
239.0969543	0.04
240.3129578	0.07
241.3191376	0.05
249.1378784	0.04
250.1527252	0.14
251.0338287	0.46
259.2055969	0.06
261.0734863	0.04
265.0916748	0.02
281.0092468	0.03
297.5011597	0.23
308.5512695	0.12
313.0998535	0.10
316.1353760	0.04
323.5127563	0.06
325.6495361	0.02
327.2523193	0.41
328.3649902	0.10
331.5704346	0.08
333.2103882	0.22
342.3579712	0.11
343.4682617	0.02
344.3604736	0.07
351.2304688	0.04
352.4027710	0.08
355.1570435	0.02
357.2846680	0.03
360.5220947	0.14
362.8771973	0.06
364.3040771	0.06
370.8904419	0.04
372.4121704	0.05
378.2473755	0.14
382.5653076	0.09
383.2847290	0.09
390.4418335	0.05
394.3103027	0.15
397.0467529	0.04
398.4539795	0.06
400.3458252	0.25
410.4424438	0.03
416.3120117	0.05
431.3231201	0.12
433.3779907	0.37
435.1153564	0.10
439.5537720	0.21
440.5714111	0.11
441.2506714	0.28
445.4575195	0.28
446.3164673	0.38
447.2358398	0.47
449.4883423	0.04
450.2674561	0.13
452.4873657	0.21
453.4196167	0.10
454.1374512	0.03
456.3890381	0.05
457.2681274	0.58
458.5187988	0.84
459.6110229	0.89
460.6126099	0.11
461.4366455	0.46
464.4263916	0.11
469.0677490	0.04
471.5524902	0.14
472.6347656	0.43
473.4265137	0.77
474.4808350	1.16
475.4874268	0.47
477.3565674	9.85
478.4702148	4.89
479.4864502	1.75
480.4043579	0.86
481.7211914	0.34
484.3038940	0.82
485.2937622	2.70
486.2568359	1.26
487.3922119	1.64
488.4637451	1.63
489.4641724	0.91
490.4407959	0.67
491.6150513	0.42
492.5092163	0.25
496.0775146	0.08
497.5193481	0.08
498.3796997	0.25
499.4193726	0.34
500.3417969	0.51
501.4031372	3.09
502.4755249	2.58
503.4489136	4.37
504.5348511	3.89
505.4144897	3.77
506.4159546	1.32
507.3880005	2.46
508.5159302	1.02
509.3896484	0.21
511.3113403	0.39
512.3649292	0.60
513.3491821	2.51
514.4146118	2.49
515.3712158	0.78
516.7791138	3.68
517.3832397	14.80
518.3433228	32.34
519.4224243	38.54
520.3958740	12.47
521.3883057	1.73
527.2706299	0.08
529.3266602	5.10
530.3416138	4.77
531.3971558	8.61
532.3191528	3.76
533.3054810	1.86
534.3902588	1.96
535.4668579	0.97
536.4391479	0.73
537.4489136	0.50
539.2664795	0.51
540.2506714	0.59
542.2825928	0.11
543.8722534	0.08
544.5274658	0.45
545.4871216	2.81
547.3143311	50.35
548.3738403	43.68
549.3563843	13.50
550.3900146	4.57
551.3805542	3.26
552.3257446	1.44
553.3253784	0.16
557.2906494	5.35
558.3124390	2.80
559.2092896	0.57
561.4603882	3.72
562.4633179	2.08
563.4685669	1.97
564.4148560	0.93
565.4666138	0.53
566.3824463	0.14
571.3613892	0.13
572.2224731	0.33
573.3920288	0.04
575.3860474	20.72
576.3825073	10.83
577.3682251	4.14
578.3857422	12.66
579.3512573	15.74
580.4126587	6.14
581.3511353	0.98
581.9979248	0.06
589.3757324	100.00
590.3345337	59.62
591.4323730	13.79
592.4644165	0.38
593.8621826	0.09
594.7379761	0.04
607.4027710	23.24
608.5150146	0.97
610.7971802	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.2916
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
137.0682068	0.02
141.9889221	0.03
155.0647125	0.10
165.0981140	0.08
173.0252991	0.08
179.3869629	0.05
183.1880493	0.12
189.2059021	0.03
198.0509949	0.18
205.2883301	0.07
216.0528107	0.33
217.3083801	0.09
219.2052917	0.05
220.9551239	0.03
240.0648956	0.10
245.1770020	1.28
249.5810852	0.08
251.8651428	0.02
253.0495300	0.05
261.4027100	0.10
263.2811584	2.48
277.2298279	0.07
294.1046448	0.08
299.3109741	0.06
300.3891602	0.06
306.4208374	1.30
316.2593384	0.02
319.5816345	0.23
321.2933960	0.15
323.3099976	0.04
324.8117981	0.20
331.3790894	0.17
333.1497498	0.05
335.2646790	0.14
337.3432617	45.43
337.9490967	0.33
349.0917969	0.07
360.9321289	0.15
380.5365601	0.17
381.4339294	0.03
398.5391541	0.07
414.9756775	0.08
416.0726624	0.11
417.1877136	5.08
420.2197571	0.12
428.9500732	0.06
433.2519226	0.08
434.8496704	0.45
435.6537476	0.04
436.5621033	0.20
442.5048523	0.12
443.4859314	0.08
447.4342346	0.40
460.2304688	100.00
461.5081177	0.07
463.1271362	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	473.1663
Annotation	Coelovirin A
Peak:m/z	Relative Intensity
135.1002197	0.06
149.0982361	0.14
173.0668182	0.02
174.9664307	0.47
179.1742554	1.00
187.2512817	0.06
192.9580231	0.28
197.0070801	0.05
203.1291199	0.08
204.9457092	0.26
210.9601898	0.07
231.1436157	0.51
237.0697784	0.07
249.1139526	4.31
267.1712646	16.28
269.0719299	0.09
282.8916016	0.04
293.3290405	0.13
297.2279053	0.37
299.3840332	0.04
306.4148254	0.04
309.1748047	0.12
311.2017822	0.30
323.1349182	0.09
328.9848022	0.12
335.0657043	0.17
343.2256165	0.15
348.4933472	0.26
357.2678833	0.05
366.3822937	0.14
367.2716064	0.04
369.3688965	0.08
377.3158875	0.21
383.6034851	0.08
385.4105835	0.37
386.9817200	0.09
393.1388855	0.10
399.2906189	0.11
401.3475647	0.14
405.3937683	0.03
410.9110413	0.52
411.5545349	0.15
427.2078247	1.31
429.2648926	100.00
435.2615967	0.04
437.1557312	0.32
438.2322083	0.11
443.2375488	0.31
450.1371155	0.05
453.2091980	0.28
455.1021118	1.74
456.3370056	0.11
458.2956543	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	275.1019
Annotation	(1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid
Peak:m/z	Relative Intensity
89.0746765	0.06
93.9129791	5.17
130.2918091	0.08
134.4677277	0.13
137.9666138	100.00
138.8563538	0.18
142.2541656	0.20
143.8338165	0.11
152.0433807	41.99
158.8372955	0.06
166.2184143	0.14
175.3598633	0.30
187.1238556	5.51
188.1013489	0.09
197.0975037	0.08
212.9868164	0.04
215.0061340	0.16
228.1684265	0.05
229.1540833	0.09
231.1386108	16.11
234.0125732	0.64
256.4022827	0.29
257.1983948	0.16
265.9653625	0.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	332.133
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
107.9982147	0.99
116.1424637	0.04
125.0314941	0.03
133.9223022	0.26
134.6344910	0.03
135.9412079	1.41
141.9376221	0.01
150.1929016	0.04
152.0033875	5.00
154.1271667	0.03
166.2363434	0.03
166.8702393	0.03
169.9960175	6.65
185.2289429	0.02
211.0429382	0.08
212.9354553	0.01
216.1774597	0.09
217.1016235	0.03
220.1093445	0.04
224.7034607	0.04
250.3249512	0.04
257.3394165	0.07
260.2789917	0.02
268.2291565	0.09
270.0422974	0.03
272.2477417	0.03
278.2091064	0.04
284.0962219	0.01
285.7710571	0.12
296.1873779	0.15
301.2589417	0.05
303.9093628	0.04
314.2711182	100.00
315.5254517	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
106.9417572	0.04
109.9995422	0.07
111.0195694	0.09
112.0480576	0.23
117.0318604	0.02
127.0009918	0.17
128.0056915	0.09
132.999939	0.03
133.974884	0.24
135.0278015	8.19
136.0049286	5.93
137.0401001	0.75
145.1826477	0.01
148.1382141	0.05
154.9857635	0.19
156.0820312	0.18
156.940567	0.08
160.0393982	0.02
161.1036072	1.16
162.0797424	0.52
163.1834106	0.12
173.0789642	2.87
174.0924225	2.24
175.1322327	0.32
179.0673676	36.61
180.0281219	35.75
181.0250244	10.63
188.8905945	0.03
191.0541077	100.00
192.0550537	72.30
193.0342102	28.80
216.9396362	0.06
246.9266968	0.02
293.4297485	0.04
297.3388062	0.02
310.2587891	0.03
311.2205811	0.38
336.2129517	0.26
337.1664429	0.18
353.934906	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
69.0213394	0.78
70.9052582	1.22
73.1190720	0.06
82.8866882	1.20
84.9642487	8.73
86.8560791	13.70
88.9092102	0.53
96.9495392	3.00
98.9858704	4.80
101.1080627	0.23
111.0105896	14.73
112.9634399	0.28
114.7604828	2.85
117.0667725	0.07
129.0002289	100.00
130.9379578	0.16
140.9883423	8.55
141.6390076	0.04
142.9929657	0.22
145.0538940	0.18
149.1725464	0.21
158.9371185	49.48
163.0759735	0.08
164.9571381	0.39
177.0843201	0.81
191.0727386	2.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	606.07
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
175.1697388	0.45
177.0517426	0.59
191.1109924	0.09
203.8047485	0.10
211.0587158	0.86
214.7639465	0.13
216.9075012	0.07
222.0014343	0.47
240.2183228	0.15
240.9820251	0.13
246.0926819	0.08
255.1462402	0.13
261.0979614	0.82
262.2486572	0.17
264.1658936	1.66
273.0749817	14.24
280.2762146	0.26
282.1775208	32.98
291.3341675	0.20
300.0172729	6.08
305.0283203	5.62
313.0773315	0.10
323.0552979	20.09
324.1935730	2.30
325.0993652	1.16
326.1795044	0.11
329.1737671	0.10
331.1665039	0.07
334.0225830	0.23
344.0903931	2.82
362.0557251	19.77
362.9718018	0.05
373.7542114	0.65
378.9581299	0.50
380.2565308	0.50
385.1367798	100.00
392.9251709	0.17
394.2163696	0.58
403.1278076	58.62
421.9500732	0.19
430.7683716	0.34
432.0953979	0.13
432.7220459	0.13
441.0191650	0.20
443.1006470	1.05
443.9469604	0.32
451.0309448	1.15
454.3466797	0.11
466.9650879	0.25
468.7207031	2.43
469.7791748	0.07
470.8565063	1.57
472.9779663	0.35
483.6952515	0.72
485.0036621	1.26
486.0279541	0.99
493.1747437	0.08
494.1811523	1.05
505.2147827	0.12
508.2308960	8.62
521.3339233	0.86
521.9716187	2.65
526.4074097	0.51
543.9036865	0.07
545.6635132	0.35
560.0051880	0.57
562.1306763	1.85
563.1282349	2.43
563.7722778	0.40
581.9869385	0.38
587.0092163	0.64
588.2686157	0.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	824.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
256.0236816	0.17
258.2417603	0.06
259.1427002	0.58
290.4265747	1.05
293.1390381	0.15
297.0403137	0.25
315.3477783	0.09
332.0154419	0.46
346.1876526	0.21
347.3320923	0.16
360.3558960	0.10
361.1321411	0.31
368.2818604	0.37
370.4471436	0.21
372.2940063	0.19
383.3298950	0.20
384.3346252	0.27
387.4807739	0.05
389.1777954	0.28
391.2589722	4.41
397.4555664	0.06
407.6878662	1.10
413.1862183	0.08
415.8630371	0.41
417.1446533	0.09
423.0830078	0.58
429.2858276	0.35
435.9712524	0.75
439.5299072	0.39
447.2702026	0.26
453.3533325	0.09
455.1479492	0.43
466.4128418	1.12
467.1392822	0.28
473.0611572	1.35
475.2615356	1.07
479.2481079	0.17
480.3946533	0.10
490.4557495	7.51
491.6530762	1.59
493.0043945	0.26
498.5106201	0.57
500.8242188	3.13
510.7213745	0.12
511.3276367	0.08
512.3193359	0.09
514.4395752	0.63
515.2753906	0.06
516.2875366	0.37
531.4700928	0.22
535.9172974	0.13
541.2213745	0.84
544.6044312	1.29
546.3291016	0.28
548.2918091	0.21
553.5234375	0.58
556.0244751	1.11
562.7764282	0.75
563.4108276	0.26
565.3558350	0.16
572.4951172	1.25
576.4450684	0.72
577.3790894	0.11
582.1951904	0.12
586.1781616	0.19
594.6400757	1.02
599.5584106	0.09
600.5122681	0.65
601.2761230	1.04
602.2210083	0.29
607.0637207	0.44
609.8535767	2.49
610.6315308	0.34
615.1783447	0.47
617.7043457	1.11
618.3413696	0.32
619.3977051	6.35
620.4482422	1.70
621.5053101	0.40
622.5459595	0.20
625.3976440	0.11
626.3319702	0.15
628.3823853	0.13
630.6342163	0.21
632.9226685	1.01
634.3004150	0.12
635.0399780	0.66
635.6781616	0.36
637.4039307	0.36
638.7612915	0.68
642.2564087	0.13
646.0205688	0.91
648.2343140	0.91
653.5905151	0.56
657.5870972	1.04
658.6381226	1.01
659.8156128	1.41
661.9259033	0.66
665.0856934	0.08
667.5612183	0.08
668.3556519	2.05
671.6687012	0.58
673.2121582	0.57
674.0256348	3.91
675.0363159	0.32
676.3999634	33.37
677.4212646	8.99
678.6970825	1.80
681.8883667	6.51
682.5590820	0.89
684.0719604	0.09
687.5499878	0.06
688.9867554	0.55
689.9231567	1.49
691.1691284	0.32
692.6843262	1.01
693.3984375	0.15
695.2361450	0.32
696.9760132	1.93
698.2514038	1.08
700.8853149	0.88
701.9030151	0.38
703.8542480	0.37
705.8587036	0.47
707.4425659	0.57
709.6245728	12.86
710.4431763	3.92
711.3635254	0.08
718.9064331	3.91
719.7316284	3.18
720.8777466	0.81
721.5478516	0.19
725.1377563	22.76
726.7335205	0.05
727.7572021	2.89
728.5546265	0.17
730.3133545	3.11
730.9279175	1.20
733.4443970	1.85
736.6320801	0.25
737.5419312	0.19
739.6250610	4.02
740.2690430	0.07
741.9598999	3.73
743.1140137	1.15
744.9149170	2.62
745.6118164	0.11
747.9099121	11.66
748.7192993	6.32
750.5176392	0.21
753.3031006	1.03
754.1716919	44.49
755.4450073	0.51
756.7228394	0.25
758.1654663	1.43
759.6473999	5.18
761.9386597	0.90
763.0900269	0.98
763.8937988	0.30
764.7615967	0.90
765.4612427	1.16
766.1896362	0.22
766.8787842	0.32
767.7426147	2.34
768.4581909	0.84
769.5477295	0.94
770.8872681	3.43
771.6395874	4.18
772.5599976	0.33
773.6743164	3.79
774.5712891	0.18
776.0288696	1.93
777.3536987	48.56
778.4835815	13.03
779.5012817	1.63
780.4088745	0.73
783.0258789	29.78
784.2736206	2.84
786.1947021	1.39
787.4154663	1.39
788.1146240	1.16
788.9261475	0.59
790.7658081	3.42
792.3212280	1.97
795.1074219	0.29
796.3870239	4.13
797.1580811	0.65
798.9104614	3.53
800.3186646	2.01
801.0678711	0.92
801.9542236	1.05
802.9625244	0.96
804.7413330	26.06
805.6253662	3.28
806.6187134	0.78
807.3843384	4.60
809.2969971	6.30
810.5049438	21.58
811.2874756	100.00
812.3711548	3.18
813.3760986	3.23
814.5294800	0.29
815.7595825	75.36
816.9743042	2.68
817.9199829	1.24
820.7224731	0.52
825.8245850	0.41
827.0004272	0.20
830.5982666	0.92
834.1405029	3.40
835.0836182	0.51
836.2236938	0.48
840.4409790	10.46
841.1675415	3.06
842.8367310	0.38
844.5419312	0.65
845.2997437	1.78
846.4959106	1.20
847.3509521	3.02
848.5043335	20.38
849.6175537	7.04
850.6937866	1.19
851.7074585	0.09
852.3412476	0.50
853.4336548	4.07
856.4003906	3.45
857.3340454	1.64
858.2244263	2.23
859.3850708	6.69
860.0089722	0.16
860.9352417	0.50
862.4278564	8.86
863.4535522	1.89
864.6850586	2.85
868.1705933	40.58
869.0269165	1.51
870.0418091	0.28
870.7536011	0.10
871.8807983	1.43
874.2128296	79.06
875.7009888	0.78
876.3226929	0.47
878.5529175	0.85
881.1194458	3.14
881.7432251	1.09
883.0180054	0.08
884.5844116	0.42
887.0595093	12.10
887.7395630	6.01
888.6010742	0.25
893.1189575	21.24
893.8840942	4.60
895.7642212	0.56
899.0623169	0.93
899.6635742	0.82
900.6027832	0.86
902.6253052	0.13
903.5311890	0.26
907.0199585	2.49
907.6216431	2.13
908.6416626	0.39
910.5466919	0.36
911.7471313	0.53
913.4755859	0.82
914.5419922	0.26
915.5911255	0.38
916.6289062	0.14
921.6300659	0.98
922.5729980	0.70
924.1106567	2.35
924.9811401	0.63
925.5930786	0.65
926.6339722	0.78
927.8222046	0.28
929.9735718	0.72
931.0003052	3.03
931.7291870	2.60
932.7360229	1.39
933.7379761	0.71
936.2612305	33.52
937.1889038	1.43
938.6928101	0.23
939.6647339	0.67
942.5178223	0.47
943.4652710	0.74
945.5864258	0.91
946.6387329	0.36
948.1191406	1.92
949.5794067	8.20
950.5680542	4.19
951.6331177	2.03
952.6294556	0.15
953.5493774	0.20
954.2736206	1.25
955.4853516	2.00
957.2933960	1.71
958.6052246	1.41
960.1279907	5.21
961.5964966	1.13
963.1079102	6.51
963.7761841	2.76
965.8767700	1.09
966.7766113	0.71
968.9402466	21.76
969.5509644	15.22
970.1942749	0.30
971.3595581	0.23
972.1560059	0.13
973.6032104	0.53
975.3137207	4.30
976.3869019	1.54
977.2944336	0.71
979.2893677	0.16
980.0451050	0.08
982.3127441	1.64
983.5678101	1.52
984.2765503	2.55
985.8662109	0.27
988.2109985	0.18
993.7885742	0.07
994.5268555	0.17
996.7673950	0.93
997.5474243	1.41
998.5464478	0.47
1000.6657100	3.07
1002.0754390	2.61
1002.8648070	13.08
1003.7504270	0.77
1004.4052120	0.63
1008.1574100	0.41
1010.1559450	0.60
1010.8848270	0.97
1013.2168580	0.46
1014.0219730	0.51
1015.5349120	0.37
1018.6337890	2.02
1019.9315800	2.88
1020.6798710	0.06
1021.8439330	2.33
1022.5704960	2.43
1023.3475950	0.36
1024.7038570	0.48
1025.6318360	1.51
1026.5965580	0.58
1028.6433110	0.76
1029.6893310	2.63
1030.6687010	0.38
1031.7331540	1.02
1033.6829830	1.16
1034.9880370	3.42
1036.1719970	7.71
1036.7980960	3.26
1037.6669920	1.85
1038.9486080	0.83
1039.9752200	1.32
1041.2364500	10.53
1042.0627440	1.60
1043.3032230	0.48
1044.5496830	0.49
1046.0634770	1.71
1047.3911130	0.54
1049.6271970	0.35
1050.6207280	0.21
1052.0898440	1.07
1053.8004150	0.93
1056.4639890	0.16
1057.9111330	0.70
1062.4049070	0.69
1066.1164550	0.08
1066.8303220	0.16
1067.4310300	0.54
1069.6640620	0.24
1070.6263430	0.36
1072.6672360	0.23
1073.5344240	0.37
1075.4356690	0.72
1078.4611820	1.75
1080.7429200	3.00
1081.6658940	1.15
1082.4216310	0.29
1083.5187990	0.18
1084.7520750	0.12
1087.1309810	12.25
1088.1867680	1.21
1089.7661130	1.11
1090.9953610	1.21
1091.7733150	0.50
1093.3292240	0.30
1096.3002930	0.66
1097.9488530	0.28
1100.1000980	0.60
1101.7625730	0.76
1102.6563720	0.63
1103.3995360	0.59
1105.7153320	2.36
1106.4190670	0.51
1107.0206300	0.80
1107.6440430	0.77
1109.2590330	0.22
1112.0023190	0.37
1112.6623540	0.56
1121.9676510	4.04
1123.6049800	5.33
1124.6447750	0.36
1125.8205570	0.24
1126.6414790	1.46
1128.6208500	0.47
1130.2331540	3.43
1130.9653320	7.82
1131.6885990	0.36
1136.4118650	1.32
1137.4390870	0.69
1139.3603520	1.13
1155.3364260	3.09
1157.6116940	0.16
1158.9395750	0.88
1160.6212160	0.26
1164.7742920	6.20
1165.6248780	0.79
1166.5338130	0.89
1167.4599610	0.35
1169.5478520	0.25
1173.7907710	6.72
1174.7368160	1.74
1175.5834960	0.51
1177.7341310	0.43
1178.7395020	0.13
1181.0573730	0.57
1184.8662110	0.28
1190.2874760	0.55
1198.7742920	0.41
1201.0830080	0.55
1202.7678220	0.66
1212.0942380	0.77
1213.3165280	0.14
1214.3447270	0.40
1215.0664060	0.65
1216.0556640	1.43
1217.7445070	0.59
1221.8649900	0.41
1224.2641600	1.32
1225.1206050	1.52
1229.6787110	0.31
1230.7150880	0.28
1234.4536130	0.79
1238.0664060	0.44
1243.7799070	0.25
1250.9715580	0.16
1252.4948730	1.65
1253.6986080	1.27
1254.4063720	0.27
1255.6219480	0.21
1260.0013430	3.58
1260.8199460	1.78
1265.7104490	0.34
1269.6999510	0.13
1273.9173580	0.10
1276.8833010	0.09
1280.1624760	0.61
1313.7249760	0.05
1327.3774410	0.63
1332.8463130	0.19
1338.6145020	0.96
1340.0772710	0.96
1346.8245850	1.16
1348.4713130	0.73
1366.5891110	1.16
1382.0985110	0.34
1383.0999760	0.25
1392.8629150	0.36
1417.7198490	0.50
1418.6536870	0.13
1419.7233890	0.19
1428.2502440	0.22
1429.5906980	0.34
1444.4547120	0.29
1483.0225830	0.21
1490.6198730	0.55
1501.6048580	0.09
1524.1909180	0.21
1560.7050780	0.32
1694.3765870	0.25
1708.7413330	0.31
1770.5031740	0.39
1806.9468990	0.30
1990.0120850	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	700.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
207.1536407	1.76
232.3252869	0.17
267.4441223	0.04
280.1614685	0.34
312.2791748	0.24
314.2897339	0.68
315.1251221	0.14
316.0924683	0.06
332.2584839	3.17
333.0094604	0.03
340.4536133	0.35
351.1782227	0.84
358.3206787	0.45
369.1900024	1.11
371.2680054	0.07
376.2352905	0.14
392.4117432	0.04
393.2167969	0.17
418.0777588	0.41
452.3632812	0.11
466.3620605	0.10
484.4386597	0.16
502.3038330	0.36
520.2875977	16.86
538.2523193	100.00
548.3671265	0.14
551.1536255	0.41
553.0792847	0.26
595.1366577	0.05
607.5503540	0.19
616.1854858	0.06
620.0763550	0.16
622.0588989	0.02
646.1962280	0.11
654.1828003	0.06
663.2695923	0.05
664.3704224	0.56
682.3059692	33.65
683.1798706	0.02
684.4489746	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	519.19
Annotation	Baenzigeroside A
Peak:m/z	Relative Intensity
150.7498474	0.28
153.1661682	0.06
161.1113892	0.04
164.0073395	0.31
166.3244171	0.15
174.1641083	0.10
176.1619873	0.22
177.1719055	0.07
181.2627563	0.10
183.2658997	0.13
188.1988831	0.31
192.3840637	0.05
195.2027893	0.10
201.1967926	1.04
202.4836578	0.09
205.0401611	0.07
206.9217682	0.20
209.1630554	0.11
214.0599518	0.17
221.2843170	0.04
223.2246399	0.10
226.1741028	0.21
227.2331390	0.29
228.3986816	0.13
233.0431061	0.05
237.3231201	0.04
238.2354889	0.37
242.2795715	0.05
244.2988892	0.58
245.2563477	0.04
246.2612762	0.70
247.3733673	0.13
249.2755280	0.04
250.2401886	0.08
255.2924652	0.03
256.3001404	0.07
257.9710388	0.14
263.2406616	0.50
264.3569946	0.10
267.2267456	0.29
268.4160156	0.22
272.7975464	0.07
284.4852905	0.29
285.3887939	0.08
286.3365784	0.59
288.3168945	0.19
299.3267822	0.13
301.3671265	0.07
302.0641479	0.05
303.4231567	0.05
306.4071655	0.06
311.2780762	0.81
312.3730469	0.38
313.2484131	0.46
314.3303833	0.29
317.1734619	0.37
318.1828613	0.25
321.0491333	0.05
327.0845947	0.08
329.2371216	4.76
337.1182861	0.10
337.9506836	0.19
339.2664185	0.32
347.2401123	0.21
352.2938232	0.18
354.2868652	0.15
355.2499390	1.12
357.2629395	100.00
359.1802368	0.15
361.2976685	0.17
368.5828247	0.05
370.4314575	0.13
371.6320801	0.10
373.1611938	13.24
374.0510254	0.41
375.1203613	0.29
377.1509399	0.18
381.1918945	0.04
386.4343262	0.40
390.3199463	0.20
391.2935181	0.44
395.6357422	0.13
396.3145142	0.34
397.2220459	0.23
398.4332275	0.07
399.3768921	0.91
401.3649292	0.12
411.2187500	0.16
412.7256470	0.10
414.3464355	1.69
423.4038696	0.09
427.3763428	0.25
429.3968506	0.10
430.3649292	0.06
431.6285400	0.06
433.1022949	0.45
438.7554321	0.34
439.4423828	0.45
440.3720093	1.37
441.3628540	0.43
442.1312256	0.15
444.0396729	0.13
445.3587646	0.20
446.3161011	0.15
455.6983643	0.04
457.3295898	4.07
458.2623291	4.16
459.0098267	0.50
465.3859863	0.06
471.9926147	0.05
473.1867065	0.33
474.3099365	0.05
475.4213257	4.10
477.6042480	0.07
481.1676025	1.03
483.1901245	4.85
484.1287231	0.78
485.3627930	0.37
501.3733521	42.30
502.3931274	15.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	853.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
255.1897278	0.05
256.0993347	0.07
275.0292358	0.07
294.8933105	0.07
298.9580688	0.20
307.3126221	0.04
319.4598389	0.12
323.0071106	0.09
323.9150391	0.04
334.4012756	0.05
347.3678284	0.06
358.2313843	0.16
358.9435425	0.20
363.1703491	0.08
376.1615906	0.29
377.2091675	0.34
379.1769409	0.02
381.1117554	0.04
386.9714355	0.05
396.9046631	0.10
407.1963501	0.08
421.0847168	0.28
421.9574585	0.14
439.0069580	0.11
446.7416382	0.08
451.2306519	0.02
462.8411865	0.05
467.3280640	0.02
479.1492310	0.02
481.1961670	1.08
481.9527588	0.10
499.2631836	0.37
501.0631104	0.05
511.0499268	0.47
523.2013550	0.26
524.1150513	0.21
529.1710205	0.21
539.3428955	0.08
540.0095825	0.29
541.0887451	4.84
542.0527954	0.20
554.2245483	0.05
555.3895874	0.11
564.3314209	0.05
565.1859741	0.76
568.3469238	0.10
582.4198608	0.70
583.2830811	0.77
584.1676025	0.36
585.3073120	0.11
587.3694458	0.27
590.4177246	0.03
598.4616699	0.05
600.1443481	0.93
601.1529541	3.42
623.4570923	0.11
625.8761597	0.03
628.2712402	0.61
629.1848755	0.27
631.8792114	0.06
644.2280273	0.27
645.2243042	0.12
646.2719116	0.21
655.4760132	0.20
663.2059937	0.03
678.5033569	0.03
687.1958008	0.24
691.2551270	0.21
704.2951660	0.16
705.2123413	0.03
716.2553101	0.19
717.2017212	0.09
718.1953735	0.09
719.1542358	0.18
729.3024902	0.16
735.1818848	0.09
746.2562256	0.30
747.1703491	2.87
754.1268921	2.18
755.3391724	0.23
758.7781372	0.19
765.4607544	0.04
776.2919922	0.47
777.3203735	0.26
778.0155640	0.13
788.2216187	0.06
789.2714233	0.74
792.1303711	0.60
793.2001343	0.69
794.1365356	0.06
802.3250122	0.13
806.0911865	3.14
807.1675415	12.27
809.1586914	100.00
810.1369629	0.11
820.4718628	0.66
822.0356445	0.13
825.1615601	0.02
829.1690674	0.04
834.2656860	0.15
835.4799194	0.77
837.6870117	0.49
838.3737183	0.30
839.7031250	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	435.19
Annotation	Unknow
Peak:m/z	Relative Intensity
145.2016449	0.10
154.7873688	0.51
161.2696533	0.07
162.8898773	0.39
205.0673218	4.16
216.9606781	0.09
228.0161591	0.05
229.3258972	0.05
235.0896606	0.04
245.0489502	0.11
246.9736633	0.52
271.1195068	0.06
288.9838257	0.06
291.2124023	0.10
293.3108215	0.09
298.7216187	0.04
301.2703247	0.04
303.1194153	0.13
306.1641541	0.45
314.0232239	0.08
321.1578369	0.05
338.9629517	0.06
343.1993408	0.21
345.2300415	0.04
348.3497314	0.18
350.7489624	0.06
356.4552917	0.08
359.2168579	0.04
362.1188049	0.14
373.5450134	0.04
375.2443848	1.73
387.3591919	0.05
388.2649231	0.05
389.1521301	1.27
390.6344604	0.12
391.3471375	0.70
393.2594299	100.00
396.8156128	0.08
398.0387573	0.24
399.1452637	0.21
400.3409729	0.35
402.9712830	0.19
405.3652039	0.03
409.7526855	0.03
415.1973572	0.04
417.0767822	1.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	571.241
Annotation	TMC 2A
Peak:m/z	Relative Intensity
269.0868530	0.04
270.4036865	0.03
285.9880371	0.01
297.0496826	0.02
311.9384155	0.02
313.2293091	0.01
329.9386597	0.01
350.3754272	0.04
358.4489746	0.05
379.0136108	0.03
390.2224731	0.03
391.0099487	0.04
397.1984863	0.36
398.1915283	0.21
411.2501221	0.03
423.5561523	0.01
435.8362427	0.04
441.1496582	28.08
442.1182861	100.00
442.7750854	0.38
453.2485352	0.06
453.9759521	0.21
465.0888672	0.12
467.3288574	0.15
469.1198120	0.01
472.3193359	0.05
487.8698120	0.03
490.4356689	0.17
491.0835571	0.04
505.8257446	0.03
506.9379272	0.06
510.1098633	0.06
525.0217896	0.16
526.0199585	0.03
530.0396118	0.05
547.8303833	0.03
552.8233032	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	723.2134
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
205.5619507	0.19
217.2410126	0.66
218.0946503	0.08
221.0431061	0.33
223.0915375	1.61
224.0617218	0.34
234.9274292	0.38
236.9057922	0.14
247.2048187	1.72
248.0614929	0.20
259.1503906	0.54
260.0837708	0.51
263.1133423	0.22
265.0982666	0.76
266.2384033	0.10
270.1456909	0.30
271.2583008	0.09
277.0695190	0.44
289.0174866	0.31
295.0536499	0.18
305.2721558	0.14
306.4916382	0.15
323.2731323	0.14
355.1791077	0.16
367.2746582	0.50
368.3426514	0.09
385.2230225	1.34
386.2950439	0.17
397.2211914	0.22
399.5533447	0.09
413.4749756	0.30
427.2733154	3.04
428.3204956	0.85
439.1235352	0.12
441.4478149	0.10
447.0718384	0.10
457.2427979	4.22
458.2784424	0.54
463.2440796	0.12
468.9062500	0.08
481.0494385	0.23
487.0916748	7.15
488.2061768	1.38
489.5037842	0.07
499.3493652	2.11
500.1267090	3.35
511.2202148	0.24
515.3960571	1.52
518.2794189	0.11
520.7052612	0.15
529.2250977	100.00
530.2369995	27.08
546.9038696	0.61
561.0905151	1.16
562.1940308	0.66
603.2734985	0.26
604.1411133	0.07
607.8754883	0.21
615.2401733	0.09
618.2913208	0.07
632.9147339	0.60
634.4396362	0.22
642.1679077	0.10
646.2188110	0.06
663.2823486	1.26
664.7470093	0.51
676.9843140	0.45
678.3014526	0.47
679.4131470	0.70
688.1433105	0.37
694.4702759	0.28
705.2028198	3.93
706.1853638	1.06
708.4749146	0.14
714.5086060	0.54
723.5028076	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
123.9899979	4.28
126.1571808	7.60
133.094223	6.55
138.8139343	12.17
144.8081665	8.79
183.8777161	5.01
186.9753723	4.47
203.1656647	1.99
209.0918884	4.21
209.9065399	12.29
216.2482605	6.92
229.3920898	3.85
243.1523438	11.51
245.138855	6.04
254.1295776	4.16
271.9492798	10.46
277.4559326	3.02
281.184967	13.77
314.3166199	4.37
320.3242493	7.18
321.6217346	13.30
332.7817383	12.95
336.3424683	2.19
339.140564	5.08
350.0802002	14.68
350.9637451	8.93
357.0541077	2.59
362.7356873	7.19
371.2950439	21.77
372.0783081	4.89
374.4286499	12.50
377.2032471	1.57
385.2169495	14.87
390.9819641	14.71
395.1625671	7.89
397.2757568	6.68
408.2754211	100.00
409.1520386	35.02
411.2650452	3.65
417.7561951	48.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	315.95
Annotation	Unknow
Peak:m/z	Relative Intensity
178.2848663	0.28
195.9043274	0.03
213.0895081	0.01
231.9881897	100.00
234.9512024	0.19
236.1036682	0.08
270.0079041	0.03
273.3524170	0.08
298.3977661	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	374.81
Annotation	Unknow
Peak:m/z	Relative Intensity
212.8563080	4.75
219.3233948	0.09
254.9145813	2.28
266.9462280	0.81
284.8952637	1.44
286.9382019	0.05
290.7473755	100.00
307.0095215	0.29
315.0027771	22.41
344.9161072	0.13
357.0038757	2.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	431.1192
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
149.1102142	0.08
193.0473022	0.10
193.9911194	0.61
207.9093323	0.20
223.1408386	16.85
225.3329315	0.05
230.1870575	0.14
235.3864746	0.10
249.3731079	0.05
265.2846985	0.09
268.8933411	0.45
309.1831055	0.22
315.4983826	0.07
322.3843079	0.18
335.1228333	0.23
341.0273438	0.22
344.1882935	0.14
353.3225098	0.05
355.2654419	0.09
357.3641968	0.07
362.2981873	0.07
368.9485474	0.09
371.4985657	0.29
385.1538391	100.00
385.7784729	0.36
387.1650696	0.15
392.0852051	0.11
393.0830688	0.15
394.6723633	0.08
403.1296692	0.30
407.9620361	0.06
408.9765930	0.25
411.3298340	0.23
412.4146118	0.07
413.0747070	0.26
414.3606262	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	290.85
Annotation	gamma-Pentachlorocyclohexene
Peak:m/z	Relative Intensity
122.8118057	1.67
174.7722015	0.08
206.7816772	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	473.1667
Annotation	Coelovirin A
Peak:m/z	Relative Intensity
135.1549530	0.08
149.0635529	0.05
157.0252075	0.12
161.1067352	0.27
169.3074341	0.06
173.3144836	0.03
175.0984192	0.34
175.9937439	0.03
179.1521149	1.27
180.2266846	0.18
191.0727539	0.03
194.2540283	0.03
205.2290955	0.05
206.2126770	0.02
223.2040100	0.27
231.0870361	0.94
232.1082458	0.14
236.2468719	0.08
241.3365631	0.03
249.0528259	13.94
250.1439819	2.18
267.1510315	20.81
268.1739197	2.75
275.1274414	0.06
290.3235474	0.04
293.2109680	0.02
297.3338013	0.52
298.2809448	0.12
308.2459106	0.11
311.4337158	0.06
312.1128845	0.01
312.9918823	0.11
323.8118896	0.14
325.1521606	0.06
326.1675720	0.03
328.2666626	0.01
329.3269348	0.05
332.7537842	0.02
353.6546631	0.03
357.1096191	0.01
367.1024170	0.06
369.1230469	0.09
375.6876831	0.02
378.0594788	0.02
379.1272278	0.02
382.2265625	0.08
385.0234070	0.02
386.7741699	0.03
388.3822021	0.02
397.3702393	0.09
398.3502808	0.04
411.2269897	2.16
412.2554016	0.51
412.9675903	0.03
414.0776672	0.03
427.3050537	0.06
427.9415283	0.13
429.2671814	100.00
430.2956238	32.26
431.0489197	0.09
436.1681824	0.12
438.1945496	0.45
443.4699402	0.04
446.1920471	0.02
455.1935120	2.34
456.2301941	0.79
457.4181213	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	353.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
119.9903488	0.09
129.1390991	0.35
130.0551147	0.27
131.1383057	0.10
132.9002075	0.21
135.1934509	0.04
139.0305176	0.03
145.2137756	0.04
146.9155273	0.20
151.1313782	0.12
154.9932098	0.13
161.2132416	0.39
163.0652466	0.27
165.1116638	0.05
171.9452820	0.14
173.1706848	0.03
182.0227661	0.37
188.4183807	0.09
189.0238037	0.63
198.7927246	0.03
200.0201111	0.05
201.1445160	0.22
205.7750854	0.21
207.0070953	7.87
207.6159668	0.09
209.0227966	0.52
209.9332428	1.11
219.2536621	0.03
221.0758362	0.16
223.0268860	0.10
224.0676880	3.16
227.0895081	0.70
235.1398926	0.07
246.1162415	0.07
248.9558716	0.05
251.1218567	0.04
254.1026917	0.15
258.4469604	0.09
259.2378540	0.15
260.8159790	0.13
262.5895386	0.19
265.4830017	0.12
269.7678223	0.10
272.1948853	0.30
272.9432068	0.21
287.2247314	0.07
289.1581116	0.76
290.0285645	0.82
291.2317810	0.13
292.2485046	0.18
293.2893982	0.45
299.7623291	0.33
300.3901367	0.04
307.0742188	3.22
308.0659790	3.90
309.2418213	0.50
311.9598999	1.11
317.1056824	7.65
318.1450500	3.98
320.4670410	0.21
321.1577454	0.04
325.3385925	0.12
329.8132629	0.05
335.1523438	100.00
336.1777344	16.62
338.1633301	0.15
343.5677185	0.22
354.1189880	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	525.1208
Annotation	Ascorbalamic acid
Peak:m/z	Relative Intensity
158.0557709	3.20
170.1073608	0.04
172.0820770	0.35
181.0830383	0.09
183.0768433	0.63
187.9183197	0.26
199.9859009	0.74
201.9967346	8.28
218.1578827	2.77
219.1038971	0.29
244.0357971	0.23
247.4047241	0.13
260.0409851	0.14
262.0571899	100.00
279.0919800	0.08
289.1894531	0.26
310.9108887	0.46
319.1247559	0.27
344.2050171	0.05
346.0897827	0.37
347.0736694	0.34
348.2556763	0.97
352.2745972	0.16
362.1201172	0.18
378.9441528	0.19
388.5810547	0.11
400.9534302	0.42
419.1271973	0.23
424.1329956	0.19
434.3820801	0.08
435.4640503	0.12
439.0573730	0.24
451.2958984	0.12
451.9927979	0.09
453.7216187	0.08
461.1248779	0.49
462.3959961	0.38
463.2185059	0.07
464.0258179	0.35
464.8114014	0.23
465.4649048	0.22
505.2337036	0.04
505.9741821	0.25
506.6537476	0.32
507.2592773	0.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	293.21
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
96.98440552	0.15
99.1047287	0.12
101.0268631	0.88
104.9314728	0.26
109.0854187	0.11
112.9677124	0.18
116.9020996	0.08
121.0051117	0.19
125.1234894	0.43
133.2345886	0.60
135.175415	0.16
137.0687561	0.33
138.5554504	0.23
141.3562012	0.49
143.1279907	0.51
147.2720642	0.33
148.9185791	0.19
157.0979462	0.66
159.2357178	0.54
161.2567596	0.40
164.1026611	0.40
165.3563843	0.40
167.1832886	0.14
169.0368347	0.27
170.9444885	1.55
173.1712341	0.72
174.9129639	0.10
181.1157532	0.62
182.9888153	1.14
187.0755615	0.68
189.2430725	0.14
191.223465	0.41
193.0540619	1.02
195.0158234	0.40
197.388443	0.43
199.0985718	0.57
201.0141296	0.65
203.2952576	0.20
208.2835083	0.13
208.9063721	0.12
213.4970093	0.20
217.0462341	1.20
219.0448914	0.47
223.1287231	0.62
225.3763428	0.26
229.0993042	1.81
231.194519	0.26
233.1035461	0.96
234.063385	1.58
235.2133484	1.03
237.0464172	1.66
239.3475037	0.81
244.7114868	0.09
247.0289917	1.43
249.2296143	1.42
249.8833008	0.23
251.9487305	1.23
252.7464905	0.47
257.1703491	5.37
257.9651489	0.57
262.2077026	0.35
265.3318787	0.54
266.3295593	0.24
272.9690552	0.29
275.1938171	100.00
283.9518127	1.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.1137
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
112.9791107	0.27
118.9098969	0.05
124.8354263	0.04
143.2563934	0.08
148.9994202	1.05
160.9014893	0.11
164.0798645	3.84
175.0992126	0.18
177.0627441	0.05
179.0216370	1.57
189.9843140	3.66
192.0103760	0.03
203.1014099	0.08
205.0524139	52.70
206.1968994	0.04
207.3740997	0.19
208.1073456	0.72
218.3059387	0.12
219.2322693	0.31
221.2061310	0.81
223.0661621	100.00
223.6780396	0.26
231.9065857	0.42
233.0546875	0.34
237.1288452	0.90
243.1784363	0.11
247.1301270	68.50
248.0303955	0.06
251.3417969	0.14
263.1147461	0.32
265.1692200	10.81
268.3508911	0.14
275.1138306	0.03
276.4891357	0.47
277.1794434	2.33
287.2136230	0.06
289.1195679	1.42
295.0701599	4.87
295.6716919	0.02
305.4534302	0.05
307.2510681	0.16
325.1739502	5.15
339.2548218	0.23
349.1684570	0.07
367.2474060	1.38
370.1081848	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	479.22
Annotation	Unknow
Peak:m/z	Relative Intensity
149.0437927	0.10
175.2570496	0.30
230.1277466	0.07
276.1469116	0.44
304.3554688	0.19
305.2907104	0.09
324.2122192	100.00
325.3567200	0.24
333.1723022	90.02
339.0632019	0.66
367.3508301	0.35
375.5252075	0.11
383.0391846	1.48
389.1483459	0.44
407.7901306	0.54
415.3257446	0.48
417.1092224	0.09
433.1549683	1.06
433.9455872	0.34
435.2163391	2.27
437.7628479	0.24
444.1823425	0.19
447.7026367	0.25
451.9959412	0.09
462.1951294	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	469.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
134.0314331	3.51
134.9779968	0.64
136.0451660	0.13
149.0174561	5.28
150.0641174	0.48
161.0971375	0.10
178.0814056	9.57
179.1049500	1.28
193.0148315	100.00
194.1101685	15.19
195.2287445	0.18
235.7812042	0.15
245.0611267	0.06
249.1617432	0.23
258.1306152	0.37
273.2280884	0.11
275.0465088	35.18
276.0925903	4.37
306.7748413	0.12
323.4407959	0.09
342.0137634	0.86
365.9381714	0.12
374.7296753	0.06
381.2536621	0.30
382.2457275	0.08
384.0878601	0.20
385.2658386	0.61
386.2473450	0.28
389.1604919	0.09
389.7791138	0.09
394.2288513	0.06
406.6548462	0.67
408.4284363	0.28
409.2496338	0.36
410.0949707	0.15
423.5249023	0.90
424.2451172	0.94
432.2274780	0.38
434.1115417	1.94
435.2391357	0.30
439.5381165	0.10
449.5318604	0.09
450.4222717	0.08
451.2945251	0.21
452.1090698	0.12
452.7666626	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	603.0027
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
176.9133911	0.13
181.0032501	0.12
204.9869537	0.17
210.9384918	3.85
214.9833679	1.81
220.9116211	0.07
232.9882507	0.60
236.0498352	0.21
240.9828949	4.29
256.9744873	1.40
259.0959473	0.16
262.2255859	0.08
268.8992920	0.08
270.2080078	0.12
280.0233765	1.30
296.6975098	0.13
298.9368591	0.34
305.0889282	0.07
311.0142822	0.56
318.0950317	0.30
323.0491333	100.00
328.9466553	3.24
334.0839844	0.90
335.9978638	0.39
338.9533081	0.10
351.2307739	0.25
352.2664185	0.22
359.1100464	3.51
361.1893311	0.27
364.1692505	0.14
370.2233276	0.25
371.4238892	0.62
377.0814209	7.58
379.9780273	0.23
381.0155640	0.48
382.1153564	0.25
387.9003906	0.56
390.0134277	0.03
390.9097900	0.19
398.0004883	0.43
401.0012207	0.07
403.2026978	0.09
409.1369019	0.05
419.0398560	2.83
423.0923462	2.40
424.2930298	1.49
427.8600464	0.13
428.8680420	2.28
430.3079834	0.38
431.2413940	0.05
432.9082031	0.06
434.7606201	0.13
439.9587402	2.37
441.0311279	34.32
442.0050659	0.26
443.3086548	0.07
444.0338135	0.53
446.9049072	2.04
447.9727173	0.30
449.0593262	0.56
452.1685181	0.30
453.2553711	0.19
462.2097168	0.61
466.8300781	7.54
468.1801758	0.08
470.1134644	12.87
471.2802734	0.44
472.9973145	0.08
475.1133423	0.10
483.1167603	33.65
488.1780396	1.04
491.1291504	3.58
500.1574097	0.54
502.0326538	0.20
505.0184326	0.85
505.7150269	0.04
513.9710083	0.18
516.7326050	1.57
517.3867798	0.14
518.8931274	2.58
524.1869507	1.88
525.1639404	0.15
542.1399536	1.18
556.0142212	1.07
557.0623779	0.10
560.1492310	62.98
561.0574951	0.03
585.1216431	24.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	436.04
Annotation	Glucoraphanin
Peak:m/z	Relative Intensity
128.8611450	0.12
131.1136017	0.03
138.8790283	0.15
152.9103088	0.03
162.4374084	0.09
169.9416809	0.04
175.7330933	0.25
178.1193542	0.45
194.0093384	0.33
195.2579193	0.07
198.8632202	0.04
199.9592590	0.83
213.9237518	0.43
217.7993469	0.12
227.0169067	0.64
227.9615784	0.03
240.9336548	0.15
242.9475098	0.11
244.0171509	0.59
245.0874939	0.03
246.1661987	0.21
257.8866577	5.43
259.0776062	4.84
262.1717529	0.16
275.0974121	0.95
284.2207031	0.12
285.4234009	0.08
286.0469055	0.19
287.8886414	1.12
289.9003601	0.48
290.9720459	1.30
292.2415466	0.20
301.8009949	4.37
302.5200806	0.06
303.8667603	0.05
326.1150208	0.08
327.8646545	0.86
328.7307739	0.30
329.8145752	0.66
331.9817505	9.28
345.7618408	1.62
348.0151672	0.28
355.9506836	0.88
357.3699951	0.03
358.2368774	0.05
372.1182861	100.00
373.3672180	0.52
391.9947815	6.04
399.9510193	0.21
417.9880676	7.01
421.1227722	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	355.1033
Annotation	Veranisatin B
Peak:m/z	Relative Intensity
110.8818054	0.06
111.9076004	0.16
133.9996796	0.98
148.8905334	0.71
162.2405243	0.07
173.0724487	0.67
174.3215179	0.10
175.0218964	0.10
176.0219727	0.10
178.0146027	1.60
179.1524048	0.34
180.1974335	0.06
180.9986267	0.14
191.3833618	0.46
193.1033630	100.00
215.1130066	0.29
216.8214111	0.21
217.5480957	0.08
235.0199585	0.60
237.1242981	0.08
241.8587341	0.18
251.1331787	0.09
252.9255371	0.04
257.3819580	0.13
271.1160278	0.18
275.3945923	0.10
283.2630615	0.63
293.0667114	0.33
295.2716064	0.24
309.0274048	0.38
310.9377747	0.11
313.0949097	0.21
319.0190125	0.07
326.9913330	0.44
328.0316162	0.19
336.6905518	0.07
337.3541565	0.49
338.1393127	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	614.74
Annotation	Unknow
Peak:m/z	Relative Intensity
307.4862671	0.48
385.0485229	1.39
386.1086426	1.00
386.9937744	0.77
454.0026855	0.37
458.9277954	0.31
471.3447876	0.18
497.9525146	0.85
498.9776001	0.45
499.9132080	0.81
500.8923950	1.05
516.7744751	0.85
518.7200928	0.96
530.1802368	0.25
532.6599731	0.07
539.9019775	1.32
540.8001099	1.16
544.1893921	0.07
561.9351807	0.32
566.0966187	0.11
567.2885742	9.58
567.9059448	100.00
568.8610840	83.30
569.4658813	0.89
571.2110596	0.08
584.1649780	4.47
585.2481689	33.89
586.3496094	28.14
587.8174438	1.40
604.9393921	0.86
614.0822144	0.54
615.0241699	1.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.0445
Annotation	1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)
Peak:m/z	Relative Intensity
132.8995056	0.04
135.0818176	1.13
139.1724548	0.10
160.9862366	1.66
179.0760498	11.55
199.0285950	0.04
203.1030121	0.40
205.0177002	0.06
214.9761658	0.04
221.2975464	0.03
223.9008789	0.10
241.0514526	0.83
250.5902405	0.03
251.3215332	0.09
259.0313110	8.80
260.0215759	0.21
275.2643738	0.08
279.2741699	0.13
281.2542725	0.63
291.0609741	0.13
299.1270752	0.16
306.9164429	0.03
332.9193726	0.03
338.9771729	0.07
341.1533203	100.00
342.0076904	0.01
344.9410400	0.05
346.0422668	0.06
357.2839966	0.05
359.1898193	0.09
359.9250183	0.04
372.4899292	0.09
374.2499695	0.05
375.2156982	0.95
376.1286621	0.06
377.2411194	0.19
378.6240540	0.10
385.1033325	0.13
388.3656311	0.08
391.0887146	0.03
403.1039734	0.51
405.9718933	0.02
408.6445007	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	520.3387
Annotation	PC(18:2(2E,4E)/0:0)
Peak:m/z	Relative Intensity
165.9249268	0.15
184.0019531	14.98
225.1801147	0.02
242.2283325	0.02
257.1122437	0.08
258.2431641	0.26
262.2281189	0.03
275.8711243	0.02
277.4487305	0.03
317.6008301	0.02
324.4771729	0.06
326.3101807	0.02
328.2092896	0.08
337.1528931	0.15
371.0803833	0.09
372.1912231	0.05
380.6967163	0.12
416.7872925	0.01
420.3568115	0.07
436.6066895	0.04
443.4849854	0.30
446.2062378	0.10
457.5232544	0.12
461.0060425	0.04
469.3607788	0.06
471.4248657	0.08
476.4144897	0.01
478.4617920	0.07
488.3676147	0.22
491.2247925	0.04
492.0948486	0.07
502.4542236	100.00
503.4191284	0.34
520.0127563	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0876
Annotation	Scopolin
Peak:m/z	Relative Intensity
102.1350098	0.03
111.0629044	0.04
128.0636597	0.02
132.8844910	0.02
133.9596252	0.28
135.0938721	7.17
137.4538269	0.09
145.3340759	0.02
154.9814453	0.36
159.2163239	0.06
160.2763672	0.03
161.0898285	0.74
164.8599701	0.10
171.0241699	0.04
172.9666748	2.83
173.9638977	0.19
175.1329956	0.13
179.0071869	41.28
187.9361877	0.12
189.0397949	0.13
191.0140991	100.00
193.1968994	0.06
201.1733704	0.03
216.8900146	0.14
224.3563232	0.07
230.4193115	0.06
232.2587585	0.04
261.1608887	0.04
262.8392334	0.07
279.1650085	0.03
281.0079346	0.06
307.1081543	0.28
308.2421875	0.01
309.3187866	0.17
311.4203491	0.03
313.3701172	0.05
322.8295288	0.04
324.5346680	0.08
334.0600586	0.10
335.2794800	0.35
337.0758972	1.34
338.0652466	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	503.1402
Annotation	6-Caffeoylsucrose
Peak:m/z	Relative Intensity
161.0659180	0.89
178.9525146	6.72
203.0145569	1.13
205.2029114	0.04
223.1313934	0.11
281.1635437	0.10
315.0590820	0.09
323.1084290	2.85
328.3262024	0.05
341.2291260	100.00
351.3688354	0.18
352.3709717	0.15
365.1392212	1.25
365.9132996	0.15
383.3804626	0.36
399.4336243	0.22
401.2031860	0.28
407.0944824	0.14
412.9673767	0.17
415.3916931	0.11
419.2347107	0.13
427.3216248	0.07
429.8135681	0.14
440.2905579	0.14
441.9156494	0.10
443.1605225	0.34
456.4236450	0.25
457.2779846	0.07
459.2001343	0.56
469.3867798	0.15
475.8118591	0.13
477.0179749	0.06
477.8602905	0.09
485.1692505	0.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	507.2728
Annotation	PG(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
158.8101807	0.30
160.9781647	0.11
213.1162109	0.12
214.0841827	0.22
214.9864044	0.13
241.1491547	0.17
244.8402710	0.13
258.9989319	0.27
260.0520935	0.18
261.0091858	1.96
277.9812012	0.10
291.1552429	0.26
293.3310852	0.03
301.0868530	0.54
315.2573853	11.93
331.1876526	0.16
332.9042664	0.10
343.3600159	0.12
344.3281250	0.15
344.9677124	0.12
347.5447388	0.08
351.9596558	0.28
355.0282288	0.05
361.2015381	32.06
381.4240417	0.05
387.2442932	0.11
411.2338562	0.12
417.1945496	0.06
443.5408020	0.10
461.2012939	100.00
461.9257202	0.55
479.1421509	0.34
484.3446350	0.05
488.9907532	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0851
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
94.83261108	0.35
106.8390656	0.45
122.9469452	0.49
129.0207672	0.27
130.1968079	1.38
140.9530334	0.75
146.8896942	0.69
147.7699585	0.47
150.9923859	25.96
151.9151459	23.65
152.9072723	1.27
165.8696747	1.41
168.0002441	0.67
170.1220856	0.19
172.0252686	0.31
180.1972198	0.44
180.9855194	0.30
183.2895355	1.17
184.9152222	0.19
186.1111145	1.18
191.1030731	1.34
197.0462341	2.09
198.0282745	2.43
206.1266632	0.78
208.3202209	0.29
226.2492218	10.03
235.9673004	0.84
238.2640991	1.28
239.1414032	7.64
239.9608765	0.41
253.0771637	100.00
254.1696167	47.31
255.2531738	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	473.17
Annotation	Coelovirin A
Peak:m/z	Relative Intensity
159.1755829	0.26
161.1107483	0.38
168.8762665	0.19
175.1593018	0.04
179.0322876	0.53
183.2447205	0.11
187.1077271	0.05
207.2513733	0.17
223.2509460	0.44
230.9442444	0.13
245.3521271	0.11
249.1473694	7.40
265.1798706	0.43
267.1254272	72.78
275.2863159	0.15
293.0148621	0.11
297.2489929	1.17
298.0468750	0.28
299.1119690	0.06
309.0999146	0.47
313.1284485	0.07
327.4355774	0.12
344.2054138	0.12
351.2922363	0.10
361.1779785	0.10
365.5106812	0.07
373.2115784	0.24
377.2856140	0.08
384.1500854	0.05
397.0955505	0.05
398.2638855	0.12
409.3916626	0.07
411.3455505	1.58
420.1691895	0.27
427.1332092	0.95
429.2571716	100.00
431.4238892	0.59
434.2261047	0.37
434.8561401	0.19
437.1649475	0.33
438.0059509	0.06
453.1314392	0.06
454.6748352	0.08
455.3360291	4.00
456.2452393	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	488.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
296.4022827	0.06
314.1495972	0.08
326.3154297	0.08
330.2521057	0.07
333.1711731	100.00
341.2037964	0.31
342.3151550	0.47
355.1508179	0.04
359.0865173	0.12
367.4885864	0.05
368.3888550	0.07
395.4147644	0.06
397.0373840	0.02
398.3043518	0.10
408.4075623	0.03
426.4757080	0.06
429.4588318	0.03
436.1896667	0.02
442.0429382	0.24
452.3357849	0.04
459.5533447	0.04
469.3565369	0.13
470.3529968	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
95.06489563	0.75
99.70439911	0.61
102.8911209	0.65
106.8842468	0.28
109.2007523	0.56
110.7356033	0.13
123.0478821	0.17
125.2497787	0.39
126.9048309	0.93
128.1523285	0.52
128.9304962	1.11
135.23526	0.79
139.2613525	0.58
141.1554565	0.34
143.072998	1.43
150.8778381	0.52
152.7427826	0.96
154.787323	0.54
156.8516235	0.14
163.3143311	0.58
165.0107422	0.18
166.8873901	0.27
168.9150543	1.53
170.9912109	1.41
175.7928619	0.49
176.98526	1.65
179.2630615	0.58
183.2294617	0.61
184.9838715	0.83
187.3117371	0.54
193.072403	0.11
195.0436401	0.88
196.9745026	2.64
200.9998169	1.47
209.0825195	1.54
211.1494751	3.44
213.3315735	1.41
215.14328	0.93
216.8975525	0.70
220.8807373	0.46
221.5724792	1.23
223.1140442	0.65
225.0541992	1.93
227.0925598	0.95
229.4967346	0.17
231.0968628	0.27
233.2126465	1.14
235.197052	0.25
236.1491089	1.50
237.2502136	1.22
241.2275391	0.67
243.3540955	0.34
250.5476074	1.30
251.177124	2.28
253.2354736	5.62
256.2383728	0.26
257.2124634	0.72
259.4182434	1.21
260.8361206	0.15
265.180481	1.87
266.1536865	0.51
267.0403748	1.19
268.0710144	0.42
269.0274048	0.15
273.0276489	0.63
275.2189941	17.71
278.8642578	0.69
280.2529907	0.47
282.0514526	0.23
283.3694153	0.67
293.2085571	100.00
295.059082	0.21
296.0476685	0.90
302.5071411	1.77
311.1177673	1.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	480.3072
Annotation	PC(15:1(9Z)/0:0)
Peak:m/z	Relative Intensity
155.1536865	0.23
177.2722168	0.06
198.1370850	0.15
213.3534546	0.08
215.9397888	0.05
221.1622620	0.13
226.9716797	0.11
230.0629272	0.06
257.1150513	0.17
265.3106384	1.08
267.4820251	0.08
281.9485168	0.07
293.1244507	0.05
308.5813293	0.79
313.0127563	0.04
318.1270142	0.03
321.4187317	0.53
326.5909729	0.21
337.2423096	0.37
339.3034058	40.80
339.9380798	0.08
344.4989319	0.20
347.8790588	0.06
349.1011353	0.04
354.3046570	0.25
362.9194946	0.24
371.4525452	0.06
376.1419678	0.05
377.3922119	0.07
378.0989075	0.13
384.8468628	0.09
389.8680115	0.07
392.1267090	0.06
398.8816223	0.22
400.7380676	0.06
417.0860901	0.13
418.6164551	0.24
419.2174072	7.01
429.4761353	0.15
430.9709778	0.05
434.4906921	0.07
437.2033386	0.65
441.0057678	0.08
444.6141052	0.11
445.5242004	0.20
462.2178345	100.00
463.2113953	0.48
466.0647583	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1091.324
Annotation	Unknow
Peak:m/z	Relative Intensity
355.1106567	0.02
367.0802307	0.07
371.4311829	0.02
403.1033630	0.02
411.1669312	0.02
427.2399597	1.20
439.1674194	0.12
457.3777466	0.34
469.2107544	0.54
479.3243103	0.26
481.2986755	0.14
487.2925415	0.51
497.2797241	0.09
499.2755737	0.40
511.1789856	1.43
529.2180176	0.44
533.4976807	0.03
537.2142334	0.04
561.2397461	0.06
595.1145020	0.04
602.9965820	0.15
663.3150024	0.21
675.3321533	0.04
687.2739868	0.35
691.6113281	0.02
693.1541748	0.22
705.2004395	21.89
705.8476562	0.17
717.2366943	0.06
723.1441650	0.71
735.1239624	0.70
735.7368164	0.12
747.3911743	0.03
759.2510376	0.06
853.3201904	0.14
855.0028076	0.09
865.2702637	0.14
867.4252930	1.16
885.1099854	0.46
897.2437744	0.03
911.1391602	0.24
921.5872803	0.04
929.0915527	100.00
929.7651367	0.51
971.1213379	1.44
1000.9948730	0.04
1013.3958740	0.08
1029.6203610	0.10
1031.2331540	0.28
1047.1970210	0.06
1060.2862550	0.05
1072.7000730	0.73
1073.3020020	1.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	182.0807
Annotation	4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline
Peak:m/z	Relative Intensity
123.0341034	0.04
127.9163513	0.02
135.9838715	16.72
147.0764008	0.12
154.4121857	0.01
164.9635162	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	437.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
145.0871887	0.05
149.1008911	0.12
151.0612946	0.01
175.1279144	0.04
179.1545105	0.11
180.1477661	0.05
187.2416229	0.17
211.3846436	0.06
214.0837097	0.02
236.0810242	0.02
241.3638611	0.02
243.2232056	0.04
245.3956299	0.07
249.1242371	0.03
257.0457153	0.04
265.2188416	0.12
267.0852051	0.08
268.2780762	0.04
269.1835632	0.04
281.5056763	0.05
283.1774292	2.52
285.9879150	0.03
289.9195862	0.06
291.0855103	0.07
295.0246582	0.37
297.2374268	0.02
299.1668091	0.14
300.9500427	0.07
306.0684814	0.07
307.1062012	0.28
308.2254639	0.64
309.2810669	0.45
311.2371216	0.42
313.3680420	0.44
323.2565308	0.02
324.1859131	0.40
325.0539551	0.03
327.1357727	8.28
328.1462402	0.18
329.1440125	0.55
330.1513672	0.03
339.1402588	12.97
340.2272644	0.43
341.3289490	0.07
343.8967896	0.06
346.3504333	0.06
355.1828003	0.05
357.1829224	100.00
358.2563477	3.34
359.1414185	0.03
360.7544861	0.04
363.0496521	0.25
364.6073608	0.07
369.2595520	0.04
372.7152100	0.12
374.4371948	0.06
375.2772522	0.43
379.7957764	0.05
383.1402283	0.04
390.1092224	0.04
391.1328430	0.19
393.1669922	1.75
394.1280212	0.07
399.2565002	0.04
400.3334045	0.20
401.2984924	0.26
406.9662781	0.12
419.0343018	0.24
422.0614624	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	359.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
128.1756134	0.12
139.9063110	0.23
145.0982666	11.75
158.8278503	0.06
167.1582031	0.02
185.0156555	0.28
194.2451630	0.06
195.8650513	0.32
203.1945038	0.13
206.0068665	0.04
207.1901245	0.19
213.0688782	1.81
213.9179993	0.14
219.1370239	0.04
223.0796204	1.03
227.2361755	0.12
230.9910583	0.97
237.4502563	0.29
240.1011047	5.37
240.8596191	0.03
243.6018372	0.07
250.2197571	0.04
254.2294922	0.13
255.0971680	0.05
258.0044556	1.05
261.2817688	0.03
262.1553345	0.16
263.2424316	0.07
265.1776733	0.44
266.9206543	0.30
269.0569153	0.13
277.0375671	0.04
279.1652222	1.30
280.1989746	1.15
281.2714844	0.34
287.4077759	0.05
294.2475586	1.57
296.1730652	8.76
297.2671509	0.37
297.8818970	0.31
299.3206787	0.35
301.2648926	0.13
313.2388611	100.00
314.0865479	2.77
315.2328491	0.69
331.1948853	24.49
339.2019043	0.02
341.2237244	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	397.1156
Annotation	Cnidioside B
Peak:m/z	Relative Intensity
112.9165344	0.21
122.9245758	0.31
124.9384079	0.79
125.8854675	0.15
127.1298676	0.12
128.9312897	1.69
130.9656219	0.14
132.6404724	0.10
138.7571106	0.21
140.1510925	0.15
140.8630371	1.21
142.2739868	0.98
143.0638885	4.41
143.8306427	0.06
145.0421753	0.35
150.2127991	0.58
154.9720154	0.73
156.0627289	0.38
157.0522766	2.52
158.2826538	0.14
159.0359802	0.68
161.0170898	0.12
165.2040100	0.29
166.9840698	0.10
167.9508972	0.44
169.0646057	2.38
170.0138245	0.04
171.0812683	0.61
172.9595947	0.22
175.1418152	0.12
179.0038147	7.97
180.0801544	0.08
183.1035767	0.57
184.0006409	0.45
184.9488373	2.55
185.9533691	1.72
187.1306152	10.45
190.0706177	0.89
191.0585632	2.89
199.8651581	0.06
200.8805389	0.25
202.0559387	0.38
202.9756775	0.58
204.0522461	0.80
205.0147705	4.11
209.0826111	45.21
210.1580963	1.50
212.1777954	0.05
213.1050568	0.36
216.0622101	0.27
217.0823669	3.11
218.1878967	0.64
219.1065979	5.62
234.1369019	14.42
235.1545715	60.25
243.1062012	0.04
246.1281738	0.06
251.2182312	0.07
258.9786377	0.29
260.0513611	0.17
262.0070496	0.07
272.0718384	0.03
275.1995239	0.11
276.0718384	1.08
277.2917786	6.65
278.2629395	0.06
283.2971191	0.04
288.1312256	0.06
289.1961670	1.84
290.1613464	0.09
292.2705078	0.05
295.4885254	0.28
296.1387024	0.24
297.2053223	0.04
302.2068481	0.14
303.1736450	1.01
306.1424255	24.35
307.1237793	100.00
307.9840698	0.16
309.3140869	0.21
317.3636475	0.23
318.2164612	0.17
319.1532288	0.46
321.4417114	0.04
331.0624084	0.26
334.4442749	0.19
336.2028503	3.92
337.2202759	17.75
338.2983398	0.14
349.1362305	0.49
350.7635498	0.06
352.4261169	0.15
353.1713562	0.08
360.3145752	0.28
361.2342529	0.71
363.2475891	0.34
366.0617065	3.63
367.2303467	8.40
378.2107849	0.73
379.1940613	5.30
380.4272156	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	453.7838
Annotation	Unknow
Peak:m/z	Relative Intensity
166.1853027	0.06
242.8042603	0.06
276.0429993	0.02
289.9867554	0.02
318.9712219	0.99
319.7935791	1.39
321.9213257	0.06
345.7796936	0.03
347.8112488	0.35
348.4407349	0.02
359.3005066	0.07
362.2927856	0.12
363.8517151	100.00
364.8585205	0.32
366.7613831	0.02
379.8223572	5.72
381.0295715	0.88
381.6387634	2.23
388.6289368	0.08
389.8129883	0.04
392.0753174	0.06
396.6373596	0.06
397.5934143	0.53
402.4350281	0.05
403.9315491	0.04
404.7723083	0.13
407.0765381	0.27
408.8166809	25.39
409.8323059	0.02
410.8211365	0.22
411.8794861	0.40
412.9129028	1.19
413.8793030	0.15
414.6652527	0.10
416.6738892	0.24
418.0015259	0.11
423.5271301	0.02
424.1721497	0.05
425.7440491	1.65
426.6026306	0.52
427.6850891	0.05
429.7101135	0.04
430.7413635	0.41
431.6579285	0.10
433.0894165	2.87
435.7940063	0.44
437.0962219	0.02
438.9395447	2.92
440.0272827	0.56
441.0038757	0.40
442.0706177	0.71
443.3368835	0.14
444.4623413	0.59
446.0286560	0.65
446.9141541	0.17
447.8966370	0.28
448.8579712	0.02
449.6776428	0.47
451.1665955	0.07
453.2659302	0.20
453.9802856	0.15
454.7598572	0.48
455.6851196	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	348.0694
Annotation	dGMP
Peak:m/z	Relative Intensity
108.9782486	0.08
118.9598618	5.35
135.9218292	100.00
137.0964050	0.16
146.9561157	0.30
165.1210938	0.10
170.1793213	0.15
179.8097687	0.29
196.7780609	0.06
199.3026276	0.33
199.9030151	0.09
216.1029663	2.08
243.2424622	0.23
250.2232666	0.54
258.0062866	0.29
259.1080933	0.06
267.9192505	0.13
288.2289734	0.22
301.5535278	0.13
302.3995361	0.05
308.2287903	0.09
312.1159058	0.48
330.2003784	1.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	670.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
195.9310760	0.04
209.1322479	2.58
235.0669403	0.02
258.9343872	0.19
267.1330566	0.03
291.1221924	0.02
298.1134338	0.16
309.0114746	0.10
327.4632263	0.05
330.1651306	0.05
345.0523682	0.09
358.1881714	2.69
360.8255005	0.07
364.2355957	0.07
379.2695312	0.02
392.0988770	0.03
396.3755493	0.02
404.0515747	0.10
407.2264404	0.02
422.1085815	100.00
423.0432739	0.01
424.1941528	0.29
445.0979614	0.01
451.2725220	0.07
464.3247070	0.04
477.0467529	0.01
508.3980103	0.08
522.9129028	0.04
531.2537842	0.07
533.6323242	0.02
534.3887939	0.01
536.1802368	0.04
540.0618286	0.05
572.1895752	0.03
586.2153931	0.09
590.2250366	0.27
591.9628296	0.10
609.1851807	0.03
620.0220337	0.02
623.4536743	0.03
634.0968628	0.04
651.0165405	0.06
651.9520874	1.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	613.16
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
177.1008301	0.11
181.3773193	0.05
199.1797791	0.19
209.0001984	0.08
211.1184387	0.53
231.0018768	0.64
234.1399231	0.08
235.2092438	0.17
262.1116943	0.11
272.2191162	0.02
273.8785706	0.09
279.8786926	0.06
288.2671509	0.14
290.0307617	0.06
309.0090332	0.07
321.0880737	0.08
321.9367371	0.09
326.2686768	0.05
337.2613525	0.39
338.1453857	0.03
340.2593384	0.06
355.1370239	53.32
363.0979614	0.16
363.8994141	0.02
377.4519653	0.08
391.1503906	0.21
402.3369141	0.02
409.1831055	2.83
410.4844971	0.05
420.2306519	0.11
421.2624512	0.17
428.3885498	0.13
437.2881470	0.04
444.8328857	0.13
449.3217163	0.04
458.2877808	0.12
466.2428589	3.59
484.1625977	100.00
484.7986450	0.50
516.7664185	0.14
520.3125000	0.46
538.2815552	1.84
550.4155884	0.24
551.0787964	0.09
569.0982666	0.03
595.1939087	22.19
595.9362793	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	753.2239
Annotation	Sibiricose A4
Peak:m/z	Relative Intensity
217.2266235	0.14
218.0217438	0.05
218.6630249	0.03
221.1138763	0.19
223.1298218	2.35
224.1160583	0.15
232.0827026	0.20
233.3359375	0.12
235.1881866	0.01
237.0747375	0.05
245.1508179	0.05
247.1723022	1.77
248.1584167	0.13
249.0820312	0.04
262.0321655	0.06
262.9669189	0.10
265.1463928	0.90
266.2965698	0.02
277.2011414	0.20
279.0905762	0.07
285.2165527	0.02
287.3061523	0.04
289.2350769	0.48
295.0975647	0.34
305.1452026	0.01
307.2875977	0.19
308.1311646	0.02
323.3645020	0.05
325.1770020	0.12
331.1104126	0.13
349.0550537	0.02
363.2167969	0.02
367.2431641	0.43
368.1377563	0.04
370.9820557	0.13
372.1787720	0.08
385.1808472	0.90
386.3560791	0.03
413.2984619	0.18
419.3126221	0.07
427.2556152	3.12
428.2116699	0.40
443.3092041	0.02
457.2308350	2.32
458.2860107	0.23
469.1605835	0.14
470.0895386	0.03
483.3105469	0.04
487.1980591	4.83
488.2435913	0.42
497.9221802	0.04
511.0734253	0.18
512.2463379	0.09
515.3919678	0.98
516.4326172	0.14
517.1833496	0.06
529.2172852	100.00
530.2172852	10.92
531.0295410	0.10
547.1838379	0.94
548.1199341	0.09
558.3724365	0.04
561.2068481	0.02
573.4924927	0.08
591.4158325	5.08
592.2622681	0.72
598.9505005	0.02
622.1373901	0.04
632.8944702	0.03
633.6592407	0.07
650.4871216	0.23
651.4929199	0.10
663.1541748	0.25
664.4699707	0.12
673.3270874	0.13
676.0455933	0.09
679.3056641	0.05
680.5907593	0.08
693.3157959	1.19
694.2698364	0.38
709.1676636	0.04
717.2222900	0.27
735.2013550	1.30
736.2081909	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
101.0825653	0.34
109.1204147	0.52
110.9337997	0.58
128.9454956	0.66
130.9508972	0.74
135.3041687	0.61
137.0344696	0.26
147.8781433	0.58
151.1916809	0.30
153.1939087	0.35
155.0851746	0.17
156.4230042	0.16
157.4168396	0.17
159.0206604	0.68
160.9547729	0.85
167.1518402	0.41
169.2494659	0.21
175.0948181	0.46
177.1270142	0.63
179.1373291	0.89
181.2221527	1.23
182.9307861	1.13
189.1817322	1.60
190.8736267	1.11
197.1162262	3.86
199.1369629	1.23
201.8809509	0.41
203.1209717	0.26
205.0823669	0.18
210.0483093	0.29
211.2790222	2.01
212.3282471	0.55
215.2429199	1.38
217.3885498	0.85
221.3827209	0.78
223.1094971	0.34
225.2344971	2.17
229.1535645	1.37
233.2001038	1.19
235.0019836	1.89
236.288269	0.31
237.2738953	0.42
239.1532593	2.87
244.8278503	0.20
246.2378845	0.97
247.2800903	0.21
249.3088379	0.48
250.2251282	0.37
251.3942261	1.77
253.1127014	4.91
254.1705017	0.50
257.059845	1.44
258.2808228	0.44
264.7339478	0.83
265.3622742	1.28
266.3504333	0.37
267.308136	2.39
269.994873	0.59
275.2649231	10.60
278.7688293	0.21
281.1207275	0.61
283.2583313	2.19
284.1352234	0.25
287.5245972	0.71
290.9906311	1.89
293.2188721	100.00
294.1602173	1.07
311.2353516	0.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	753.2239
Annotation	Sibiricose A4
Peak:m/z	Relative Intensity
212.8082275	0.03
215.3731384	0.04
217.0957642	0.20
217.9670715	0.04
218.9803467	0.09
221.3334808	0.03
223.0595398	2.83
224.0998840	0.71
229.3783569	0.02
230.4400024	0.20
231.2852325	0.20
232.1346741	0.30
233.0288849	0.28
234.9851990	0.03
243.1080627	0.03
244.9707794	0.15
246.3018494	0.45
247.1766510	1.76
248.1206665	0.32
259.0914307	0.35
260.2788696	0.18
261.2372437	0.51
262.0811768	0.18
263.1752625	0.13
265.1804199	0.33
266.0927124	0.05
267.3785400	0.02
272.2098083	0.19
274.1840820	0.42
275.1987915	0.05
277.1116943	0.74
287.3372192	0.18
289.1498718	6.38
290.1029968	0.73
295.2424011	0.03
296.2225952	0.06
298.2496643	0.05
305.1604614	0.26
306.0697632	0.02
307.1614685	0.11
313.4107666	0.03
314.2702026	0.12
323.1467285	0.11
331.0355225	0.86
332.1389771	0.14
349.3472900	0.16
350.1101685	0.03
367.3414307	0.18
385.0833130	0.16
397.2272949	0.05
427.2816162	0.69
428.4801025	0.11
429.1154785	0.04
442.3203735	0.03
453.0618896	0.13
457.3234863	0.44
458.3391724	0.08
468.4611816	0.04
469.2562866	0.13
471.1787109	0.04
487.3674316	0.46
488.2051392	0.09
511.2418823	0.55
512.3442383	0.11
515.3591919	0.28
516.3936157	0.08
529.1904297	100.00
530.2488403	19.38
547.1668091	0.55
548.0890503	0.01
573.1360474	0.02
693.2302856	0.43
694.3422241	0.07
722.5927124	0.16
735.1619263	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	611.1447
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
176.0626068	0.13
177.0581665	0.19
179.0050049	2.11
185.2386475	0.22
192.1159821	0.52
196.9218750	0.44
204.0224915	0.05
208.1458130	0.06
209.1492004	0.14
210.1345978	3.00
213.0570068	0.11
228.1976166	0.10
235.9282227	0.05
242.1502228	0.08
251.6812439	0.09
254.0511780	11.16
269.1532288	0.08
272.1679382	35.95
285.9874268	0.59
288.0939941	4.41
297.4710693	0.08
304.0796509	15.63
306.1629639	100.00
320.0913696	0.16
330.8275146	0.14
338.0797119	36.02
342.9091187	0.11
349.4451904	0.08
353.2648315	0.05
361.2002563	0.31
377.1029053	0.17
395.2729492	0.04
422.1298828	1.41
425.4013672	0.09
463.7869873	0.15
464.4140625	0.04
482.2361450	34.29
499.2399292	0.03
531.1746216	0.25
533.3933105	0.35
535.9223022	0.07
547.0722046	0.04
575.2065430	0.47
577.0222168	0.23
593.1741943	16.29
594.2970581	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	379.08
Annotation	Didymocalyxin C
Peak:m/z	Relative Intensity
113.0548096	0.19
115.0816040	0.07
130.9305725	0.04
142.8872833	0.20
161.0788574	0.15
161.8946991	0.02
178.9805603	1.70
180.0020447	0.15
180.9822235	0.23
197.1702576	0.18
197.9726562	0.08
199.0768738	0.86
214.9670410	1.80
216.0906677	1.18
217.1065979	10.17
221.0104675	0.10
280.9368286	0.03
323.0792847	0.03
341.1673279	100.00
342.1248169	31.62
343.2332153	9.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1088
Annotation	Lactulose
Peak:m/z	Relative Intensity
96.9621124	0.20
99.0581284	0.62
100.9084167	4.99
107.0064621	0.27
112.9571609	19.24
114.4588623	0.16
118.9178925	11.67
124.9434357	2.38
130.9794312	9.09
142.1271973	0.32
143.0726013	21.71
148.9731140	2.79
160.9792175	20.79
171.1603699	0.51
179.0139008	100.00
197.1517029	0.14
209.3045044	0.20
220.8952332	0.41
280.9643860	3.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0712
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
97.03642273	2.11
98.88441467	1.40
110.8527832	4.49
130.0056152	4.09
136.9681854	3.09
142.3903046	2.25
155.1439362	2.11
165.6904907	8.19
179.2512054	10.57
181.1978912	2.81
183.3307343	25.46
190.9298553	10.74
192.1337585	2.25
193.1257782	8.09
194.1896057	6.17
195.4602356	8.22
207.0170441	34.32
207.9434204	13.66
209.1853638	60.21
215.0559998	31.09
215.7909698	2.63
222.0466766	9.49
223.0543213	21.82
223.9717102	9.35
233.0790558	34.73
235.0965118	4.63
251.0700073	100.00
251.6771851	2.30
252.3494415	10.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	266.02
Annotation	Unknow
Peak:m/z	Relative Intensity
220.2207794	0.03
222.4738922	0.11
224.1554565	17.12
224.9369965	100.00
225.6795807	0.03
239.8471680	0.05
240.4828033	0.10
242.0897369	3.74
242.8892212	16.53
245.0379639	0.04
266.1868896	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	959.2805
Annotation	1,2,2'-Trisinapoylgentiobioside
Peak:m/z	Relative Intensity
274.2380981	0.03
277.1771851	0.04
287.3309326	0.40
289.1400757	1.95
295.0109863	0.40
297.9255981	0.03
305.1359863	0.06
307.4808960	0.08
313.3602905	0.04
324.9326782	0.06
331.1057739	0.74
349.2775879	0.04
367.2566833	0.86
385.2158813	1.55
409.1033936	0.14
411.3146362	0.02
412.1191711	0.05
413.1384277	0.08
427.3121948	3.22
429.5043335	0.07
443.1809692	0.04
451.4450684	0.15
457.1987915	1.50
469.3045654	4.40
483.0841064	0.06
485.1068115	0.05
487.0781250	2.15
487.7896729	0.09
493.6679688	0.17
495.3897095	0.03
497.4346924	0.24
511.1203613	9.72
515.3605347	0.12
529.2188110	7.94
529.8363037	0.02
573.3595581	0.10
633.4005737	0.23
645.1876831	0.04
663.2781982	0.16
673.0369263	0.27
675.2467651	0.46
677.0238647	0.02
691.4636230	0.07
693.1292725	0.98
698.9127808	0.03
717.1430054	1.34
719.3361206	0.18
721.2269897	0.82
735.2346191	100.00
735.9537354	0.43
753.1997070	2.39
779.4157104	0.04
792.9297485	0.09
898.9285889	0.03
927.1846924	0.07
941.2094727	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	573.79
Annotation	Unknow
Peak:m/z	Relative Intensity
174.9582520	0.06
194.2048340	0.34
196.0829620	0.26
212.9057312	0.38
231.9666138	0.11
245.9187622	0.70
250.9583740	0.24
290.9009399	0.27
299.0357056	0.13
335.0750732	0.70
354.8245239	0.05
368.7954102	0.09
381.0232544	1.33
383.3614502	0.12
386.4120483	0.21
387.1259766	0.07
388.8268433	0.39
390.1926270	0.31
399.1423340	0.78
402.9483032	0.06
404.9357910	0.08
405.8289795	2.33
418.1610107	7.35
418.8593140	0.28
420.6838989	1.71
427.1198730	0.22
436.2885132	0.07
437.3049927	0.30
485.8756714	1.65
486.8549805	1.61
489.2925415	17.50
489.9054565	100.00
495.3601685	4.25
496.3662109	0.39
525.7734985	0.30
526.7291260	2.14
527.8151245	11.78
545.7912598	0.16
547.4569092	0.07
555.1189575	1.82
564.1768188	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	635.2189
Annotation	Coelovirin C
Peak:m/z	Relative Intensity
179.1819000	0.36
180.9399261	0.02
189.0809479	0.02
199.0548096	0.07
204.8891602	0.16
216.9323120	0.07
223.1146088	0.04
225.1969147	0.03
231.1433411	0.58
247.0939026	0.05
249.0806885	3.20
253.3559570	0.04
267.1210938	2.19
275.2496338	0.02
291.0546265	0.03
297.2514648	0.19
326.8239136	0.04
339.4677124	0.01
343.1685791	0.05
353.1420288	0.02
367.2979126	0.10
377.3984375	0.03
393.5263672	0.05
400.8845215	0.09
411.1312866	3.78
411.7711182	0.02
418.1553955	0.07
426.4592896	0.03
427.3057251	0.05
429.3738403	15.80
437.3536987	0.11
441.2786255	0.10
453.5155640	0.05
455.2860107	14.95
460.1408691	0.02
469.3731079	0.04
473.2437744	100.00
473.8477173	0.43
477.3610840	0.11
483.0950317	0.02
497.2337036	0.37
503.6386108	0.05
505.1572266	0.02
515.2713623	1.81
520.7551880	0.06
527.0878296	0.19
529.0900879	0.07
530.4866943	0.04
539.4835815	0.07
545.1687012	1.45
547.4453125	0.15
548.7994995	0.02
553.1818237	0.05
575.2542114	0.88
581.3436890	0.10
587.4763184	0.03
589.4939575	0.18
591.7081909	0.03
597.3333740	0.07
599.0696411	0.13
605.2415161	0.05
611.9684448	0.15
617.1633911	0.35
632.8992310	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	707.215
Annotation	Sinocrassoside A5
Peak:m/z	Relative Intensity
207.1140747	17.09
209.9986572	0.26
214.3045654	0.03
215.0596008	0.09
217.0178528	0.31
219.2094574	0.22
224.1973877	0.17
225.1077728	0.62
231.1053925	0.06
234.9359589	0.16
237.1129761	0.27
238.9874115	0.06
243.2133942	0.26
245.3196106	0.46
246.9178009	0.22
249.1767578	0.19
259.3449097	0.05
261.1328125	1.45
285.1269836	0.26
291.2980042	1.65
302.9276733	0.92
304.9575500	0.25
315.3515625	0.37
321.1243896	5.29
332.9105225	0.62
335.1101074	0.12
339.0562134	52.93
339.6752625	0.27
341.0754395	0.19
350.4920044	0.49
351.1344604	10.74
355.3336792	0.10
369.0664673	100.00
369.9295654	0.02
381.3258667	0.08
383.1820679	0.48
391.2361450	0.17
403.0573730	0.07
421.5864258	0.04
429.4347534	0.10
431.2027588	0.35
461.3629150	0.17
465.2713623	0.13
479.1356812	0.03
491.3958740	0.11
499.3555908	0.03
517.4202881	0.10
527.4522705	0.14
544.8646240	2.90
547.2005005	0.06
560.7357178	0.20
564.8983154	0.04
583.2626343	0.05
587.0656738	0.14
594.8688354	0.25
646.5535278	0.21
647.6649780	0.19
671.4520874	0.45
680.8899536	0.13
688.2160034	0.74
689.3417358	0.34
708.9626465	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
90.86367798	0.25
94.87158203	0.40
102.8401413	0.80
121.0478058	0.28
122.9189911	0.18
129.2132263	0.63
131.0673828	0.12
132.9981995	0.28
135.0374756	0.58
139.1253967	1.03
148.299408	0.31
149.4910583	1.25
151.1130066	0.95
153.0752258	0.91
155.0476685	1.85
167.1902161	0.43
168.8361511	0.68
179.0010376	0.99
180.9221497	0.21
183.0409851	0.48
185.0545502	0.38
187.2249908	0.46
190.9462433	1.03
195.069809	1.24
196.9553528	0.77
198.9263916	1.45
200.923233	1.65
205.5009155	0.39
208.895874	1.61
211.1820984	0.77
213.3071899	1.64
216.2109375	0.17
217.2972107	0.82
225.3816223	0.31
227.5192871	0.58
229.251709	0.18
233.5083008	0.19
235.3392639	1.24
237.1268616	3.23
247.11203	0.81
249.3718262	0.63
250.2184143	1.15
251.1838379	4.88
252.3535767	0.30
253.2341919	3.47
255.1263733	0.90
257.2316284	1.98
258.0112915	1.22
265.0284729	4.33
267.2137451	1.87
268.0715637	0.43
269.1920776	0.75
270.1299438	1.35
271.1888123	0.50
275.1564941	20.31
276.2449036	0.88
278.8532104	0.58
283.0873718	2.49
283.717804	0.49
284.9809265	0.70
290.1418152	0.27
290.9310303	0.21
293.2035217	100.00
294.5105591	1.86
297.2507935	0.38
299.3433228	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.1375
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
122.2038727	0.44
132.2418213	0.06
137.0765991	7.33
142.9956665	0.09
150.9346313	1.14
152.7147522	0.33
157.1075439	0.25
160.0163574	0.17
161.1461487	0.11
163.0717163	0.28
164.9878540	0.81
175.0831909	2.27
177.1707764	2.42
178.9258575	1.18
187.0018005	2.70
189.0444183	3.81
191.1118011	0.11
193.9918671	0.06
199.0652771	0.45
202.0522156	0.10
205.2481995	1.10
209.1118164	0.08
217.1459961	5.83
221.8972778	0.06
234.0788269	0.17
236.5032654	0.09
237.1280823	0.15
239.1026611	0.75
253.3046265	0.24
258.9364014	0.51
260.9103394	0.04
263.1583252	1.16
265.0524292	0.11
269.5117493	0.05
271.1763000	39.71
274.1340332	0.09
279.1496887	1.05
281.1351013	1.75
283.1711426	1.60
285.0303345	0.50
287.3814087	0.16
291.1972961	20.93
293.5550842	0.40
295.2058411	0.38
297.2170410	0.58
299.5242310	0.30
304.7262878	0.13
308.1685181	0.17
309.2125244	1.18
311.2213135	9.30
312.4413757	1.10
313.1898804	6.22
318.9832764	0.25
323.1468506	100.00
323.9874878	0.78
324.6807251	0.23
326.1777344	0.26
327.2741394	0.15
342.3618469	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	337.0926
Annotation	1-Caffeoyl-4-deoxyquinic acid
Peak:m/z	Relative Intensity
110.7249374	0.05
119.0172729	5.72
137.2122803	0.04
142.9813843	0.03
154.9730530	0.41
162.9806824	100.00
172.9696503	6.89
191.0160522	7.65
208.8377991	0.02
277.1523438	0.07
293.0944214	0.22
317.1658936	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	399.1209
Annotation	Repensolide
Peak:m/z	Relative Intensity
117.9870453	0.02
128.1639557	0.02
130.1841736	0.06
131.8535614	0.22
160.0088348	11.07
160.9640503	0.05
173.9650269	0.04
179.1364899	0.03
185.0867767	0.11
186.2869263	0.19
189.9111023	0.04
191.9827271	0.19
194.8523865	0.02
202.1716309	0.28
203.1806946	0.05
203.9065857	0.11
204.6667175	0.01
219.1184387	0.52
220.0256348	0.15
221.1835632	0.30
229.3401184	0.01
231.2037354	0.07
234.3717957	0.02
235.2203674	0.03
236.9770508	100.00
237.5905762	0.21
245.0890808	0.02
247.0842285	0.33
248.9568481	0.11
260.5515442	0.03
261.1649170	0.05
262.1243896	0.02
269.1541748	0.03
272.7809448	0.05
279.0419922	2.14
283.0471497	0.05
286.3146973	0.05
287.1257019	0.04
289.3725586	0.05
294.2008057	0.17
299.1747742	0.11
303.1686707	0.07
304.1699219	0.02
315.1456299	0.11
322.0709839	0.31
327.0659180	0.01
328.0537720	0.06
331.1930542	0.01
345.0703735	0.46
349.5762939	0.04
363.0993958	0.37
364.4672546	0.01
366.3159485	0.41
367.2380371	0.62
381.1413879	1.35
382.2479553	3.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	422.0251
Annotation	Glucoiberin
Peak:m/z	Relative Intensity
128.9162750	0.31
139.0723572	0.27
143.0987396	0.06
145.1194458	0.07
158.9855042	0.03
161.9211884	0.40
163.0091858	0.08
168.9441071	0.06
179.9755859	0.42
180.9038391	0.04
195.1578674	0.62
196.0483856	0.93
197.2036438	0.04
199.0521088	0.03
209.1497498	0.09
210.9515686	0.02
222.9647217	0.06
224.3119659	0.03
226.0889587	0.25
227.0342407	0.10
229.0364838	0.27
241.1092529	0.05
242.3197021	0.05
244.0534668	0.78
259.1039734	5.75
273.1072693	0.09
275.0268250	1.37
278.0794067	0.02
291.0474854	1.42
291.8561707	0.04
301.4382629	0.10
310.0649414	0.02
324.3236084	0.06
338.1186523	0.04
342.2098389	0.92
343.2007446	0.07
348.0044861	0.06
358.0447388	100.00
359.2006531	0.05
360.2884216	0.08
361.6044006	0.06
376.1692505	0.02
386.2631226	0.06
394.7021179	0.09
404.2258606	0.22
406.9819336	1.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2874
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
125.8577194	3.21
135.0026245	1.04
162.9700317	4.62
199.3193359	2.39
211.0852356	3.21
232.5500183	1.23
246.8826294	4.23
250.2223816	2.29
256.0154114	2.69
263.2669678	3.56
265.3371582	9.37
269.3108215	1.60
278.2097778	2.47
281.4354858	2.12
290.3296509	2.08
293.0999756	2.06
295.4786987	2.71
297.3902893	3.42
324.1000061	3.24
327.4959717	8.32
330.3933105	4.33
336.1069641	6.79
339.4442139	1.88
340.7580566	6.36
342.0837708	8.12
357.5011597	4.15
358.9285583	2.02
360.0269775	0.95
365.4427185	15.70
368.5831299	1.69
370.2796936	3.59
378.1931152	3.88
379.9277039	4.16
385.3187866	3.97
389.9664612	1.35
391.1958008	1.69
398.0123596	1.36
407.4265747	25.48
408.2756042	100.00
409.476532	4.13
410.1271057	10.07
411.3004456	3.32
427.1972046	3.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	476.2759
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
134.9415588	0.11
145.3209381	0.23
149.1506653	0.21
155.0080261	0.07
173.0523529	0.18
174.9982758	0.09
185.2020874	0.03
187.2245483	0.17
198.1110840	0.04
205.0323792	0.06
209.2267761	0.18
216.0869293	0.24
219.4628296	0.10
243.1752014	1.22
245.0570679	0.12
261.3090515	2.63
275.2552185	0.03
276.4117432	0.16
277.4539490	0.09
287.9046631	0.11
292.7770081	0.23
294.8627930	0.03
304.3856812	0.72
310.8474121	0.07
317.2711792	0.42
320.8295898	0.07
331.2362366	0.19
333.3225708	0.10
335.2856750	45.13
345.3399048	0.21
349.3090210	0.18
359.1722412	0.25
369.0352783	0.21
378.0937500	0.18
386.6594849	0.28
396.5823669	0.13
402.4559021	0.04
415.2848511	6.35
417.4392700	0.03
420.2819214	0.34
427.2964783	0.08
433.0043030	0.98
439.7870483	0.10
441.2762146	0.19
444.4990234	0.20
447.5272522	0.10
458.2564392	100.00
459.2826233	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
81.04158783	1.12
94.96284485	1.20
102.9513245	10.34
105.0037994	0.70
106.9538116	2.37
108.8986359	4.48
120.8519592	1.25
122.7071991	1.53
125.1538849	5.35
126.8188171	0.75
129.035675	18.06
130.0638885	2.25
133.0295258	4.92
140.9936981	3.99
143.8353119	0.69
151.0423126	100.00
151.753067	4.39
153.8709106	5.06
154.8821716	0.42
157.2463684	2.69
158.5965881	1.22
161.0442963	2.71
165.8292694	2.38
168.9278717	8.41
171.1250153	3.62
176.9907837	4.64
178.9928436	2.48
180.3430023	4.16
182.9951324	4.23
186.1771698	1.87
189.1565399	4.13
195.1238251	1.26
197.0478668	9.35
206.868927	1.73
208.1669617	0.58
210.111496	0.48
211.2758636	0.83
217.1262665	7.71
225.0384827	21.29
235.09552	44.63
238.131897	35.66
253.0877228	99.64
254.067276	17.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	349.23
Annotation	L-Arginine
Peak:m/z	Relative Intensity
116.0615158	0.64
133.0636292	0.25
140.2057343	0.08
147.1946411	0.11
150.0851898	0.13
157.1251526	1.05
158.0725098	0.84
175.0684509	100.00
176.1622925	0.08
193.9262238	1.69
196.3741455	0.04
197.9581604	0.19
203.1845703	0.16
208.7768097	0.10
213.0814056	0.79
214.9913025	0.21
216.0357666	0.49
221.1765747	0.06
223.0734863	0.02
226.0201111	0.14
226.7872620	0.07
229.2011719	0.06
231.0451965	0.05
232.0072937	1.21
234.0801392	0.66
241.1506653	3.67
244.0467834	0.67
248.2817688	0.10
250.0827026	0.18
253.2921448	0.02
257.2449036	0.15
259.1573181	1.42
261.1602173	1.11
261.9192505	0.16
264.2319336	0.13
265.1835938	0.04
267.0269165	0.34
267.8240967	0.24
269.3496704	0.32
271.1926270	1.28
272.3306885	0.08
276.0472717	0.06
278.5937500	0.11
285.4133606	0.15
287.1465759	0.14
288.1086121	0.05
289.0824585	0.79
295.1942749	0.69
296.1332703	0.07
303.2363586	0.23
304.1431885	1.81
305.2795105	1.84
313.1052551	5.36
314.4249268	0.98
331.1513367	66.63
332.2360840	0.78
333.3120117	0.03
339.5599060	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	446.18
Annotation	Unknow
Peak:m/z	Relative Intensity
128.0497589	0.86
138.9168701	1.62
143.8658752	0.29
147.9686890	0.40
163.0009766	1.71
171.1375122	0.16
172.1910706	1.64
173.9023895	0.52
195.0317993	0.76
199.0420227	0.37
205.0392151	10.74
223.8211365	1.51
227.0553741	4.45
241.0269470	0.99
251.1195984	3.32
253.9741211	2.05
256.2703552	0.70
259.0305176	42.29
269.1472778	2.51
275.1926575	18.45
290.9860840	10.17
300.5666504	3.74
317.2624817	8.22
343.0614624	0.24
350.2158813	1.40
351.3452759	2.35
367.2669983	8.14
368.3226318	0.97
387.1874695	3.70
400.1764221	1.46
404.3246155	100.00
405.3330383	1.09
411.0996704	0.97
428.0435181	2.84
429.3304749	19.88
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	220.1174
Annotation	Pantothenic acid
Peak:m/z	Relative Intensity
71.8835449	1.08
84.7857971	0.04
89.9562683	20.06
97.8975830	0.94
99.8968048	0.15
111.9333801	0.05
113.0401611	0.08
115.8628082	3.42
117.7118378	0.04
124.0784760	0.27
131.0960541	0.29
146.1302338	0.16
153.7850800	0.04
155.9358368	0.34
159.7108917	0.13
166.0209198	1.43
171.9595490	0.15
173.1155548	0.11
174.0701752	4.87
175.0637054	0.10
177.0104675	0.08
178.9792938	0.12
183.9850616	23.83
184.5854950	0.07
191.1871185	0.16
192.1779633	1.03
202.1012115	100.00
210.7973480	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	703.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
211.2259827	0.09
249.8777771	0.39
251.7287903	0.20
275.4112854	0.18
290.1113281	0.23
293.0175171	0.09
299.3901978	0.23
309.2980957	0.29
310.9649048	0.07
324.0325928	0.43
325.5209961	0.12
336.2163696	0.10
341.2148438	0.15
349.5792847	0.31
374.3840332	0.07
383.1911621	0.11
388.1826172	0.10
414.9483643	0.08
421.1379395	0.08
423.4885254	0.31
431.7395020	0.22
432.4715576	0.38
433.4316406	0.33
434.0384521	0.14
435.4900513	0.59
444.7692261	0.36
447.7556152	0.22
449.2000732	0.55
450.4303589	0.16
451.9167480	0.24
453.6086426	0.03
459.3504028	0.46
460.3679810	0.21
461.5218506	0.39
463.3937988	0.67
464.4053345	1.02
466.4041138	0.18
467.2137451	0.16
473.3163452	0.09
477.1504517	0.48
478.3988647	1.62
479.4425049	0.21
483.2141113	0.19
484.0028687	0.41
491.3549805	0.07
493.7313843	0.10
494.5660400	0.09
496.3589478	0.24
503.2241821	0.25
505.4158936	1.00
509.3876343	0.49
510.4172363	0.53
511.7387085	0.17
519.5730591	1.01
520.2876587	0.14
521.4361572	9.34
522.3303223	1.92
523.1570435	0.06
523.8296509	0.27
524.4577026	0.06
535.3524780	0.15
538.3591919	0.16
540.5733643	0.21
548.2970581	0.13
549.5772095	0.94
550.2943726	0.33
551.5166626	0.23
554.6003418	0.40
555.9143677	0.26
557.3176880	0.21
564.3779907	2.93
565.4093628	0.80
567.1618042	1.37
569.1698608	0.50
570.3126831	0.17
573.6394653	0.31
574.3953247	0.35
578.6640625	0.09
581.3576050	100.00
582.4859009	18.71
583.5416260	0.90
584.3009644	0.10
587.4713745	0.15
588.1184082	0.04
591.2117310	0.15
592.6137695	1.06
594.9042358	1.94
595.5638428	2.21
596.4268188	4.63
597.3843384	0.66
599.0057373	0.04
600.0741577	0.20
601.3444214	0.98
602.2926636	0.34
603.7202759	0.41
606.3312378	5.50
607.4132690	1.48
609.3293457	5.90
610.3801880	8.91
611.3701782	3.07
612.3278198	1.51
614.3775024	0.04
615.3648682	0.11
616.2330933	0.60
617.8210449	0.25
619.6409912	0.27
621.4741821	0.47
623.3009644	12.19
624.3626709	22.45
625.5556030	3.31
631.9037476	0.14
635.1071167	0.49
635.7245483	0.42
638.7671509	0.43
639.4479370	0.06
640.3044434	0.80
643.3571167	58.00
644.3619385	11.55
647.2578125	0.08
653.4723511	2.94
655.3228760	1.41
657.0429688	0.63
667.3854370	0.18
668.6156616	0.17
670.5884399	1.39
671.4248047	4.84
672.4741821	0.81
674.3442383	0.28
675.3645630	1.19
676.4006958	0.34
682.7870483	0.21
684.6155396	2.11
685.5260010	3.86
686.4874878	0.11
688.4189453	1.04
702.4110718	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	369.1106
Annotation	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine
Peak:m/z	Relative Intensity
117.0504532	0.02
130.0475769	1.37
131.1284790	0.01
142.2097168	0.01
144.1617126	0.02
148.0145111	0.04
149.0631714	0.04
155.1196594	0.06
155.9383240	0.04
157.0086060	0.08
162.1168823	0.67
172.1750793	0.11
172.9607544	0.13
173.9730835	1.39
176.8820038	0.01
187.3513794	0.06
188.0161743	0.03
188.9873962	0.80
190.0848236	0.33
191.0549011	0.18
191.7923889	0.04
197.2385864	0.04
201.1180573	0.10
205.0167694	0.12
206.9869385	100.00
216.9913940	0.04
229.2206421	0.05
230.7998657	0.05
233.3661499	0.02
238.1958923	0.01
239.9041748	0.03
241.1362000	0.01
245.2185974	0.04
249.0946655	1.81
255.9588318	0.04
264.2562866	0.02
268.8157349	0.04
273.1714478	0.13
274.3406982	0.07
292.1383667	0.35
296.8025208	0.08
299.1440430	0.03
302.2278137	0.09
303.1759644	0.02
315.0773010	0.75
317.6729736	0.02
325.4239502	0.04
327.1159058	0.08
333.1919861	0.56
336.2207947	0.37
336.8714905	0.04
341.3319702	0.04
350.5576477	0.26
351.2227478	1.01
352.2142334	1.90
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
143.8195801	0.69
161.9889374	5.38
166.0689087	0.18
169.1538239	0.21
179.0222473	21.71
198.0786743	0.17
228.1937561	0.14
233.2692566	0.07
237.0758667	0.21
245.1840515	1.02
246.0170288	0.11
265.1031799	0.17
272.0008240	1.93
279.0087280	0.09
283.4201965	0.43
289.9788818	0.21
298.3100586	0.07
308.1794434	33.44
313.1428223	0.18
316.0613403	0.17
317.0543213	1.06
322.3697510	0.14
330.9242554	4.19
349.0849304	100.00
370.9538574	0.96
372.9066162	0.39
387.5577393	0.21
388.7331238	0.13
390.1291809	0.21
396.8667908	0.15
403.2076721	22.02
405.4951477	0.07
424.4622803	0.17
428.1490173	0.07
428.7821960	0.19
432.3408508	0.28
441.4436951	0.26
443.1843567	0.06
445.2329407	0.47
446.2929993	2.07
459.5293884	1.52
460.3132019	1.58
461.1290283	1.15
468.9515991	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	533.1661
Annotation	Fibraurinoside
Peak:m/z	Relative Intensity
189.0739136	0.12
190.9891510	0.38
193.0463409	0.14
233.1636963	0.19
233.9356995	0.10
247.0813751	0.26
294.9801636	0.11
297.2753906	0.37
307.0193481	0.21
309.2467651	0.60
313.3254395	0.09
315.0546875	0.17
319.3461914	0.26
320.7850342	0.12
323.2279663	0.09
327.3688965	0.39
337.9150391	0.19
338.9541626	0.31
341.1742554	35.83
343.2377930	0.07
353.2420044	100.00
364.6303711	0.06
370.5659790	10.33
371.1759033	18.90
373.5429688	0.20
396.5206909	0.11
404.9595337	0.16
406.8685913	0.08
419.2582397	0.09
432.3972778	0.08
437.3065796	0.39
440.9728394	0.07
446.3753052	0.41
460.0168457	0.28
468.0764160	0.36
485.6715698	0.20
486.9786987	0.49
495.0857544	0.29
496.7913818	0.07
503.6687012	0.08
515.0586548	1.27
516.2717285	0.17
524.3291016	0.12
532.8422241	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
99.03474426	0.39
112.9477692	0.82
119.181427	0.23
133.2240753	0.35
134.967453	1.29
137.1844788	0.51
139.0091248	0.20
142.9120178	1.40
147.0325012	0.81
150.9989624	1.35
154.5397339	0.41
164.9945374	1.06
167.0259705	0.78
169.1858826	0.79
172.0742645	0.17
176.9859314	1.91
180.0566101	0.17
181.0429535	3.14
183.0969543	1.13
184.9292755	1.70
193.1047974	0.60
195.1268616	0.83
197.1873474	1.94
198.5997009	0.31
200.174057	1.18
202.278595	0.40
205.329895	0.91
207.2540894	0.30
209.2726135	0.80
210.8450012	1.65
218.9144592	1.19
223.0735474	0.83
224.9547119	2.61
233.1861572	0.90
235.178833	0.72
236.9898682	0.20
239.2744141	1.22
239.9714355	0.17
241.1069031	1.37
242.3428345	0.32
245.1613159	1.11
249.178772	0.49
251.2962036	3.17
253.0377197	6.24
257.2096863	1.02
262.9039307	0.17
265.1707764	2.36
266.1064453	1.26
267.3201904	1.21
269.9399414	0.63
275.3179626	9.82
282.966156	3.22
288.2064209	0.95
290.6063232	0.42
293.2078552	100.00
294.1193542	0.84
297.4169006	1.22
299.4075317	3.29
302.1917725	0.34
307.3018188	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	406.16
Annotation	6-Acetonyldihydronitidine
Peak:m/z	Relative Intensity
144.9979553	0.09
149.0451965	0.24
179.1497192	0.26
184.0520630	0.10
194.7564087	0.31
195.3752441	0.06
197.9797363	0.26
209.1337738	0.09
213.2534943	0.23
215.8838959	0.12
223.3405457	0.24
225.1167908	0.73
226.4666138	1.84
227.2185059	3.93
229.3559875	0.22
238.8808594	0.16
242.8021240	0.30
244.0520630	0.83
249.1308899	0.24
257.1939392	0.18
259.1851807	100.00
267.0942383	0.79
267.8527527	0.44
272.3513794	0.37
277.2808838	0.95
284.0567017	0.20
285.1517944	2.65
290.2838745	0.17
308.2260132	1.58
312.9951172	2.52
315.0339355	0.07
324.8140564	0.19
327.2827148	0.21
331.0584717	1.55
333.9056396	0.28
338.9811096	0.62
347.2098694	0.65
352.0573730	1.59
353.3257751	0.27
360.3715210	0.08
361.8910522	0.52
364.9947510	0.54
367.9574280	0.14
369.8890686	0.39
371.1496277	0.16
381.7817993	0.97
386.2890015	1.09
388.2303467	10.40
389.2449341	0.68
392.2581787	1.24
397.4051208	1.15
398.1717224	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	422.0251
Annotation	Glucoiberin
Peak:m/z	Relative Intensity
128.9121704	0.33
134.7028961	0.11
139.0461426	0.07
145.0609436	0.20
161.9702911	0.60
162.9978027	0.27
168.8131866	0.04
179.9280090	0.54
194.7677307	0.33
196.0622101	0.86
226.9895172	0.41
229.1142883	0.25
230.3585815	0.07
230.9807129	0.29
239.1310425	0.05
241.5411682	0.06
244.1056213	0.78
259.0142822	6.49
272.1102905	0.02
273.0781250	0.23
273.9985962	0.21
275.0656128	3.10
278.2403259	0.06
291.1099243	1.32
303.0794067	0.08
342.2197876	1.21
349.1776123	0.05
358.0870361	100.00
359.1363831	0.04
361.0857239	0.04
404.4367371	0.05
407.1746216	2.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
123.0389709	17.20
126.6381073	6.06
130.313385	1.52
143.1377258	5.75
152.8633881	5.50
157.2475586	8.08
163.1436462	10.40
169.0943756	7.55
171.2185669	6.19
191.9995422	3.09
200.3398895	9.21
207.2845154	1.60
211.7459106	5.94
219.4039307	2.52
232.8167725	7.45
239.4768677	12.05
256.1729431	7.74
267.493042	9.63
271.2487183	2.22
272.2155762	3.54
281.3806152	5.88
289.4985962	9.86
294.1884766	6.05
297.2589111	10.99
308.1628723	5.34
311.6776733	17.93
326.9594116	6.20
336.2394409	4.52
340.5219116	4.09
347.141449	28.99
357.6001587	2.86
363.5805664	9.39
365.4351501	6.41
367.4020386	4.52
369.2520142	20.11
373.3685303	4.87
374.8456726	2.04
377.2868652	25.96
378.2515259	7.65
381.3638611	3.45
383.2199402	7.68
384.2698975	5.02
385.2559509	2.04
389.8279724	3.27
390.5028687	1.33
395.4986267	12.19
396.2185364	5.47
403.269104	11.77
407.6737976	19.30
408.2763977	100.00
409.1894226	15.12
411.3543396	6.61
415.339325	17.42
416.8760071	19.14
424.1945801	7.30
429.1789856	4.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	605.2404
Annotation	Phaeophorbide b
Peak:m/z	Relative Intensity
187.2096405	0.26
221.3423462	0.15
257.4657288	0.04
267.1634216	0.09
274.2100830	0.10
282.3538818	0.26
297.3195190	0.12
298.3584900	0.15
299.5068054	0.09
303.5490723	0.07
308.4329224	0.12
333.4733276	0.04
345.1414185	0.15
355.0065308	0.31
377.4116821	0.05
391.2707520	0.18
400.3560791	0.03
411.2804565	0.15
432.4996338	0.04
450.2888184	0.08
466.2661743	0.07
477.2293701	0.07
491.4209595	0.25
494.4636841	0.04
497.5165405	0.08
501.5706177	0.10
503.4368896	0.03
507.6854858	0.31
511.5668335	0.10
518.0859985	0.21
519.3761597	0.06
529.3357544	62.25
530.0136719	0.17
533.3085938	0.47
535.1588745	0.16
541.0879517	0.16
543.3651123	0.17
547.9822388	0.03
551.2045898	0.48
558.0408325	0.09
558.8381348	0.13
559.4403687	0.62
561.3303833	100.00
562.1076050	0.27
567.0707397	0.42
568.4484863	0.06
569.2203369	0.21
569.8267822	0.32
573.0081787	1.73
577.7738647	0.16
583.4900513	0.04
587.4385986	2.80
589.2812500	0.27
590.4769897	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	350.088
Annotation	Melicarpine
Peak:m/z	Relative Intensity
114.9200592	0.49
128.9857483	0.15
146.7278137	0.17
156.9505157	0.37
169.3805847	0.27
174.4485168	0.96
175.0536041	6.63
176.9561310	0.16
178.9870148	0.16
202.1864929	0.19
204.8457336	0.10
214.3944397	0.17
220.5875854	0.75
241.9529419	0.12
243.3450623	0.17
244.0279236	5.19
244.6958313	0.05
260.2898560	0.10
261.1781921	0.27
262.2291870	0.42
269.3698730	0.22
270.9790039	0.25
272.0366516	0.84
272.8614502	0.46
274.1799316	0.07
286.0451660	0.76
287.9909058	1.22
289.0235291	5.13
290.2144775	3.16
295.2601318	0.11
303.8716431	100.00
305.1602478	1.05
306.1619873	1.88
306.9289246	0.38
312.4318542	0.07
314.0600586	12.72
315.0704956	1.09
319.2997437	0.07
320.2170715	0.06
321.0534058	0.44
322.2088928	0.13
331.2168579	1.03
332.0126648	1.39
333.1288452	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.0475
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
182.0204163	0.02
193.1121826	0.01
204.9819183	0.02
211.0497742	1.91
212.1343536	0.11
241.1138611	1.71
242.0955811	0.02
259.1069031	0.09
262.0675964	0.03
273.0125732	0.14
280.1481323	0.82
292.8540039	0.06
305.0030518	0.14
321.0198975	0.43
323.0827637	100.00
324.1912231	8.04
385.1353760	2.01
386.1635132	0.13
390.8752441	0.44
392.0144043	0.02
393.0011597	0.07
403.0416260	2.26
404.2775269	0.02
409.7744141	0.04
410.8868408	0.25
428.7062988	0.15
429.9868774	0.04
430.7373047	0.25
467.1748657	0.42
468.0238647	0.02
481.6004639	0.01
482.8119507	2.51
505.2041016	0.02
518.0880737	0.03
519.7104492	0.99
522.1559448	0.12
547.2463989	0.48
548.3707886	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	342.06
Annotation	Unknow
Peak:m/z	Relative Intensity
96.8378906	0.05
101.0051727	0.10
114.9819946	2.51
116.0845642	0.60
118.0234528	0.20
127.2761002	0.17
138.9274445	0.09
142.8910065	0.04
145.1248779	0.05
149.6415405	0.13
150.9902344	0.37
152.0295715	0.09
156.9920044	2.06
158.0320740	0.25
171.1524963	0.23
173.8199310	0.14
174.9764709	100.00
176.0359497	9.14
177.1004944	3.60
178.2577820	0.14
179.0119476	0.20
183.9832153	0.08
192.8893738	0.28
195.0410919	0.10
202.1484528	0.07
204.0758362	1.15
205.1638794	0.05
210.4380798	0.45
211.1439514	2.01
212.4189148	3.23
213.0294495	7.80
229.9671631	0.16
230.9602051	0.20
239.0299988	0.31
242.3703613	0.83
244.0923767	35.42
245.0929871	7.01
246.1485901	1.32
247.3655090	0.16
248.2301941	0.11
256.0933533	0.16
259.7348328	0.57
269.2056274	0.37
271.9487000	0.11
279.3035278	0.12
280.1641235	0.25
281.1566772	0.25
285.1717529	0.22
286.0785522	1.89
287.4146423	0.15
288.0294495	0.07
295.1773071	0.76
295.8558655	0.07
297.2372437	1.05
297.8772583	0.92
298.8474121	0.10
300.2810669	0.47
303.9149780	83.75
304.9165344	23.68
305.9851685	7.57
306.8013916	0.09
310.3964233	0.30
311.1960449	0.18
314.3081055	0.66
323.2330017	2.85
324.1653442	0.28
326.5306396	0.34
352.0983582	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2871
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
121.0326309	2.81
133.0122375	6.43
145.2820129	3.28
163.071991	4.43
174.052948	1.46
193.2375488	2.50
197.2340851	2.54
203.1846008	7.62
216.1523132	4.01
217.1467438	5.45
220.2261353	4.85
235.4060364	2.14
237.0455017	9.99
242.5447083	8.38
245.4695129	4.86
251.0970764	4.21
267.8457336	4.21
273.2657166	6.51
275.880127	1.32
279.177002	6.04
281.1810303	4.91
286.1634827	3.08
291.1864014	5.56
301.5804443	4.70
307.7567139	5.69
319.1779785	3.49
322.2805786	0.65
325.0082092	2.00
327.0317993	1.46
332.5102539	4.88
336.6623535	3.45
338.9504089	4.96
341.0534668	10.43
343.1344604	1.59
354.3981934	5.79
374.7795105	15.66
378.2399597	9.09
379.0660706	3.29
380.3248291	8.35
381.4396057	3.80
390.8941956	14.62
392.2231445	1.45
395.1796265	3.81
402.4584656	38.40
407.6440125	18.50
408.266449	100.00
408.9881897	8.53
410.1177979	1.73
423.0092468	4.30
426.382782	1.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	310.0018
Annotation	Flurochloridone
Peak:m/z	Relative Intensity
95.9470291	0.09
113.1477509	0.07
118.7550964	0.05
127.2318726	0.05
145.9223022	0.03
147.0062408	0.03
148.0874329	0.11
190.0095978	0.03
201.1269684	0.09
216.0147400	0.06
217.6695557	0.02
219.0142517	0.12
220.1853943	0.08
222.2966003	0.06
224.0359497	0.06
248.2133179	0.20
251.8244934	0.05
256.4796753	0.16
261.9001465	0.28
264.0225220	100.00
265.9971924	83.39
267.0317688	0.31
272.1781006	0.33
274.3049622	0.16
275.2847900	0.05
280.6873474	0.10
281.8324280	2.79
282.8433533	0.10
283.5020142	0.13
291.0450134	0.29
292.0338135	0.40
294.9512634	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
129.8550568	4.24
132.9803162	1.90
135.1352539	3.06
140.9065247	5.09
158.9684906	15.69
164.7295227	2.03
169.2011414	12.87
175.0274963	6.48
185.1185303	14.11
195.1879578	7.22
208.1522217	1.37
250.4603882	1.76
254.2819519	1.77
263.4945374	4.80
265.3162537	6.37
269.2684326	21.67
281.434082	9.90
284.3190918	2.56
295.3027954	4.91
296.5488892	1.76
300.4815063	1.64
309.119873	5.03
313.4295959	4.17
330.2624207	6.82
333.168457	3.09
338.8805542	1.50
340.3481445	2.17
341.418335	7.06
343.3801575	1.90
352.1600647	2.56
355.0761108	6.14
356.5004883	8.61
359.2912292	4.38
366.056366	9.23
368.155365	11.76
377.489502	11.44
380.3694153	9.23
381.1430359	4.32
382.1781921	1.64
384.7903137	3.74
389.5125427	21.28
390.3731384	7.02
390.9754028	4.81
408.2796631	100.00
409.3201904	2.43
411.5276184	30.41
417.2869568	8.60
417.9524231	2.29
426.9798889	13.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	591.2587
Annotation	Swietenin F
Peak:m/z	Relative Intensity
182.9968262	0.04
276.2620850	0.02
300.1395569	0.04
396.3676758	0.12
397.2730713	0.04
403.1817627	0.03
411.6532593	0.04
420.4102783	0.04
433.2229004	0.02
434.3716431	0.04
441.6833496	0.04
446.5527344	0.08
447.5354614	0.09
449.6612549	0.06
457.7839355	0.07
459.2359009	0.48
460.4279175	1.49
461.3694458	1.50
462.4586182	0.31
463.3890381	0.07
464.6853027	0.12
473.3309937	1.26
474.4505005	0.48
475.5159912	0.18
476.3933716	0.43
477.4877319	0.17
478.4895020	0.16
479.3086548	0.01
484.3377686	0.08
486.4857178	0.06
487.4824219	1.00
488.3621826	0.46
489.5524292	0.44
490.4607544	0.11
491.5588989	0.64
492.4841309	1.32
493.5624390	0.05
497.4827881	0.02
499.5260620	0.07
501.3969116	0.09
502.3882446	0.07
503.3670044	0.49
504.4222412	0.45
505.5139771	0.75
506.3541870	0.21
507.4165649	0.03
513.5369873	0.16
515.3682251	1.12
516.3629761	1.28
517.4699707	0.93
519.3660889	1.16
520.4588013	0.83
521.4460449	0.30
531.5906372	1.77
532.5848999	15.40
533.3965454	100.00
534.3493042	24.17
535.4026489	0.28
543.3831177	0.15
544.3089600	0.04
545.6005249	0.02
546.3068848	0.11
547.3626709	1.57
548.4146118	0.89
549.3180542	0.28
550.8523560	0.39
551.5063477	0.24
557.5796509	0.17
560.3037720	0.63
561.4666138	2.03
562.5140991	0.65
563.6007690	0.18
564.4313354	1.92
565.4465942	3.16
566.4174805	0.52
575.3872070	2.29
576.4666138	0.44
577.3070068	0.12
578.3007202	0.19
579.3929443	0.17
592.3906250	2.59
593.5671997	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	554.72
Annotation	Unknow
Peak:m/z	Relative Intensity
268.1520386	0.12
269.2461243	0.03
270.2254028	0.04
296.5711365	0.06
302.8737793	0.48
331.2266846	0.09
340.8159180	0.06
342.1798706	0.09
351.1431274	0.03
355.0242310	0.10
362.2382202	0.10
373.0408325	0.15
375.0975952	1.19
378.3360596	0.60
380.2492676	0.77
381.1984863	0.21
383.9693604	0.02
386.2238159	0.50
386.8588257	6.73
393.0491333	0.55
435.0553589	0.05
442.1996460	0.18
444.0481567	0.41
445.0329590	0.08
448.7147217	0.02
464.6016846	0.03
466.7855835	0.05
468.2217407	0.38
469.0542603	0.69
470.6816406	100.00
471.3397217	0.20
494.6362915	0.22
507.9738770	0.56
524.2097778	0.04
537.5133667	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.0481
Annotation	4-Hydroxyglucobrassicin
Peak:m/z	Relative Intensity
132.0340881	0.76
133.1051178	0.11
144.0597687	0.85
145.0901794	0.21
148.1559143	0.14
155.7264862	0.24
157.9255219	0.14
160.0047302	6.63
161.1400909	0.87
163.0008240	0.11
169.0714111	2.79
170.0041504	0.61
172.1012268	0.20
176.0723419	2.91
176.9669800	0.18
178.9159851	0.12
181.2422180	0.06
185.2101746	0.41
186.9845886	1.09
188.0833435	0.28
189.1724701	0.25
190.1658020	0.12
193.2690735	0.07
194.0728760	0.02
195.1331482	0.10
195.9497375	0.11
199.2374573	0.04
203.2430573	0.19
204.1274109	0.30
205.1187439	1.05
206.3737488	0.02
210.8892517	0.05
212.0548401	0.05
221.1618958	2.15
222.2266541	0.37
225.1658630	0.05
237.1777039	0.16
240.0073547	13.14
241.0749207	2.58
242.2003021	0.03
245.0426331	0.34
246.2325439	0.21
249.3426819	0.04
251.2716064	0.03
256.1007080	0.03
257.1375122	0.22
259.0968018	6.92
260.0259094	0.56
263.1138306	0.12
267.0029297	78.43
268.1040039	11.50
269.0645447	0.19
269.9882202	0.08
271.1759949	0.09
274.2174072	0.31
275.0329895	2.47
276.2269592	0.09
283.2066956	0.26
285.0279541	100.00
286.0505371	11.57
288.9071045	0.09
290.2697754	0.04
291.0721436	1.78
292.2122192	0.11
301.1488342	0.80
302.0559387	0.10
328.0118408	0.04
330.8310547	0.15
333.2070312	0.12
343.0179443	0.03
356.9752197	0.20
365.1364746	0.30
373.1506042	0.23
375.2485657	0.20
381.2845154	0.05
383.1365662	5.97
384.1895142	1.71
386.0551453	0.02
387.2845154	0.28
388.1331787	0.17
402.5272522	0.07
418.2731628	0.03
427.9105530	0.05
434.3533630	0.04
444.9430847	0.20
446.0339661	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.19
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
113.2426834	0.07
119.1943893	0.07
126.7866745	0.07
147.0899658	0.06
148.9506531	1.19
153.0234528	0.40
161.2468262	0.14
164.0516968	2.80
179.0757446	1.20
188.1679688	0.08
189.9712830	4.53
203.2032776	0.22
205.0985565	50.93
208.0201569	1.12
217.3242645	0.04
221.1411896	1.14
223.0414276	100.00
229.9541931	0.14
232.0888062	1.11
233.1765747	0.60
235.3307190	0.03
237.1796265	0.94
239.1582031	0.09
247.1066589	54.11
249.0874939	0.36
257.0912170	0.05
262.9671936	0.16
265.1127625	10.08
267.1981201	0.16
275.0618896	0.16
277.1605225	1.81
287.1157837	0.06
289.0310059	1.24
295.1600342	3.77
305.2233887	0.05
307.3195801	0.09
318.1130371	0.06
319.1815491	0.18
325.1719971	5.19
339.1372986	0.26
349.3728638	0.11
367.1487122	1.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	437.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
145.1750793	0.02
161.8387146	0.05
179.1063995	0.14
193.9925995	0.08
205.2392883	0.05
219.8550262	0.04
222.1466980	0.03
233.1819000	0.01
245.0862732	0.01
246.2455139	0.05
254.0270996	0.03
257.1310730	0.01
264.1704407	0.01
267.4796143	0.03
269.0553284	0.01
272.9005127	0.02
279.8289795	0.16
281.1903076	0.03
283.3043213	1.63
284.2734375	0.42
293.1682129	0.03
295.2208252	0.32
296.2061768	0.10
299.1999817	0.12
307.4834595	0.22
308.2918091	0.47
309.2146912	0.51
310.4213562	0.04
311.2041016	0.13
312.5685120	0.05
313.2877197	0.46
314.2958069	0.07
317.2973633	0.08
319.2270203	0.04
322.3828430	0.01
323.2956238	0.05
324.1167603	0.30
325.2920837	0.09
327.1505737	6.92
328.1819763	2.15
329.1588745	0.24
334.2191162	0.02
337.0010681	0.05
339.1939087	11.00
340.3013916	3.16
341.3118286	0.11
345.0963135	0.04
347.6241760	0.03
357.1663818	100.00
358.1989746	26.50
359.2630920	0.55
361.1512451	0.02
362.2188721	0.03
363.2814636	0.24
364.1475220	0.12
366.4583740	0.04
372.3928528	0.09
373.4582214	0.11
375.1691895	0.41
376.1781921	0.10
379.1830444	0.05
381.3658752	0.01
391.8755188	0.10
393.2464905	1.98
394.2062378	0.81
395.3386536	1.19
396.1346741	0.08
400.5321655	0.23
401.3377991	0.10
402.2735901	0.09
406.2307739	0.02
408.2743835	0.06
409.7276611	0.04
419.3645935	0.11
420.2912903	0.21
422.0256958	0.24
423.4342346	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
109.0990601	0.17
126.7311935	0.58
130.1676941	0.26
137.0152893	0.17
159.3485718	0.20
169.2288818	0.28
171.1884308	0.70
173.1982269	2.11
177.0568085	0.28
183.1225891	0.19
185.1061096	3.36
186.9266205	2.30
188.9679565	0.20
199.0450745	1.53
201.1806183	2.89
211.1724243	0.24
213.3307495	1.10
215.1653442	4.56
217.0718994	0.25
226.0041199	0.20
226.7800903	0.43
229.1725159	2.06
230.184967	0.17
231.1069946	2.61
241.1726685	2.09
243.2922974	3.48
244.9541016	1.68
257.2411194	7.07
259.4218445	2.59
263.1198425	2.28
267.2295532	0.42
269.1768799	1.13
271.1489258	4.29
273.3088379	1.13
275.2695007	0.72
277.4811707	2.09
283.2773743	3.82
285.3226624	2.57
287.2796021	1.21
288.5227356	0.52
295.1452026	0.62
297.2118225	6.27
299.2293396	7.61
301.5108948	0.52
311.12323	1.39
313.1514587	2.01
315.2947388	6.89
321.3721313	3.37
323.3634644	7.05
325.5067749	0.89
327.3209839	0.17
330.092865	1.16
331.9148254	0.40
337.1115112	0.70
339.2549438	100.00
339.9898071	0.43
341.197052	26.04
342.0157166	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	517.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
158.0266571	0.45
173.0724335	0.12
175.0696411	100.00
244.1560669	0.35
336.7219238	0.22
341.1243896	0.89
342.0522461	0.06
371.4829102	0.13
474.4003296	1.16
499.6945190	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
140.8173828	2.48
149.2022247	5.70
168.651001	0.57
172.9760742	2.94
182.9810028	3.43
188.9911041	0.79
191.1333008	7.60
203.3905334	2.95
211.2467041	2.73
217.2480774	4.39
241.1851501	1.83
244.2451782	4.75
245.2522583	1.66
249.2503357	1.36
260.1044006	4.73
263.1182556	5.73
265.3827209	4.59
267.0847168	0.79
281.0512695	3.97
288.034668	1.30
298.3995972	3.40
303.6809082	1.23
314.1425476	1.87
318.2363281	2.50
320.8743896	2.39
321.4971619	4.41
325.9205322	6.08
327.1716309	4.45
329.7788696	0.56
332.262207	1.35
336.0336609	6.83
338.1194153	3.13
340.0533447	7.04
341.4065247	3.73
346.0759888	1.53
352.3643799	3.10
355.09552	2.34
357.1732178	2.10
367.688385	2.11
378.4436951	1.80
380.1057129	1.16
382.4767151	5.53
383.2747498	5.77
385.2362366	2.78
390.5983887	11.00
391.3632507	5.47
392.8852234	7.17
394.9078369	9.67
395.5895386	3.38
399.2428894	0.78
406.2829895	3.24
407.0954285	5.20
408.2679138	100.00
409.1552124	24.97
410.2654114	8.36
411.4665833	6.35
417.2772827	1.20
417.8795166	1.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	316.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
98.7965012	0.03
108.9029541	0.07
109.8749161	0.05
112.0058899	0.08
114.0522614	3.54
116.0578156	0.08
131.0691223	1.09
138.0467529	0.30
141.1214294	0.04
155.0882721	2.88
156.0508728	10.57
157.0232849	3.89
158.9405823	0.08
160.0354767	0.05
165.3540192	0.11
173.1161957	11.27
174.2021790	0.03
182.0675964	0.43
184.0858002	0.47
199.0632935	100.00
205.0093689	0.01
213.2165222	0.05
214.0089417	0.01
231.3564453	0.09
239.1344604	0.02
252.0823364	0.03
256.2728577	1.12
270.3574829	0.06
272.1623230	0.18
274.1354675	3.81
280.5776978	0.02
286.1361389	0.08
295.6207275	0.03
297.6837158	0.13
298.4046936	0.36
299.2561340	0.82
300.4898682	0.02
302.3311462	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	579.2084
Annotation	Stecholide L
Peak:m/z	Relative Intensity
267.0436401	0.17
306.0445862	0.13
323.1338501	0.08
352.9149170	0.07
355.1484375	0.40
374.3785400	0.16
395.1439819	0.05
399.3088379	0.29
412.9970093	0.22
414.4152222	0.05
417.1780396	100.00
427.5657349	0.10
435.3877563	0.11
451.2116699	0.35
455.7249146	0.31
457.1774902	0.70
466.1929321	0.18
481.4468384	0.21
483.0356445	0.09
487.4660034	0.17
489.2831421	0.14
490.4966431	0.27
492.2776489	0.27
494.9130249	0.18
499.7912598	0.17
515.1215210	1.09
519.3103027	0.06
525.5811157	0.27
533.1094360	2.50
534.0241089	0.17
534.9606323	0.22
543.2139282	0.97
544.0390015	0.14
556.7410889	0.48
561.1336670	1.00
569.9476318	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	397.13
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
130.0528564	100.00
168.0936584	0.09
186.1297607	0.18
200.0525818	0.82
204.0065765	6.40
234.1435242	0.84
235.1596680	0.14
236.1921997	0.23
241.1232300	0.34
249.6576538	2.77
250.5217590	0.11
265.4539490	0.09
267.9280396	85.30
268.5474548	0.92
274.0848389	0.59
275.6420898	0.09
276.7812805	0.43
292.0380554	0.07
299.2273560	0.11
306.4171753	1.06
307.2120056	0.95
308.8896790	0.39
312.3592529	0.03
318.5869751	0.34
319.2412415	0.29
321.1912231	0.25
331.1274719	0.63
332.5271301	1.46
333.1433411	1.37
336.8893738	0.40
346.2791443	0.15
365.0258789	0.15
368.8532715	0.43
377.0807190	0.45
379.1224060	1.90
381.5249329	0.35
387.5494080	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2873
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
122.9453049	3.45
132.9987488	5.72
149.0667725	11.77
159.1561279	2.89
162.2715759	4.26
166.1340332	7.21
175.2130737	19.42
177.2862244	8.16
179.1509552	5.46
181.2469635	5.68
203.1538696	9.21
207.237793	4.76
211.4508209	6.43
220.0338135	5.92
234.0944214	3.87
236.5753479	4.94
239.2337036	5.24
245.448822	3.31
247.0366516	6.86
258.8959961	4.76
263.5166626	15.65
271.1086121	2.37
281.2683716	16.02
284.7172546	11.30
286.1602173	7.20
297.4043579	9.06
298.3676758	9.44
299.9515381	3.83
310.1073608	3.30
320.0770874	2.87
322.4597473	8.61
324.408905	2.95
325.1087036	3.30
326.305481	3.51
339.2373352	8.89
341.0527649	7.98
342.3325195	3.73
348.9277649	12.59
354.1461792	6.18
373.3097839	9.63
379.3687439	1.96
381.5413208	4.00
382.4993591	10.94
390.5480652	34.43
391.1679688	8.35
397.0332031	1.59
407.651886	42.59
408.2703552	100.00
408.8766479	32.99
409.4794617	4.65
410.4015503	8.59
412.2110291	2.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	592.26
Annotation	Unknow
Peak:m/z	Relative Intensity
207.0788116	0.03
229.4685669	0.11
237.9716797	0.05
247.1754913	0.07
248.0101929	0.05
255.4488983	0.10
297.4249878	0.15
310.2559814	0.06
321.3223877	0.13
323.4317627	0.05
334.2657471	0.18
337.3536377	0.04
339.2189941	0.16
342.3486938	0.03
393.1451416	0.03
394.0564575	0.08
465.4060059	0.07
471.6582642	0.11
490.1367188	0.04
499.3229370	0.05
503.5853271	0.10
506.2443237	0.06
507.3758545	0.17
513.5487671	0.21
515.4677124	41.35
516.3566284	84.68
517.0120239	0.27
527.6958618	0.05
529.4116211	0.24
531.5349731	0.17
532.3869019	0.43
533.3603516	0.14
535.5631714	0.07
538.5148315	0.22
545.4172974	0.48
546.4047241	1.42
547.3826294	8.75
548.4577026	10.10
552.9773560	0.03
559.1907349	47.33
560.1910400	100.00
560.8427124	0.37
563.4854126	0.07
573.4896240	0.25
574.2356567	0.18
575.5144653	0.25
577.3336792	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	504.3099
Annotation	PE(20:2(11Z,14Z)/0:0)
Peak:m/z	Relative Intensity
152.8971405	0.13
168.1699219	0.07
172.9641876	0.10
212.9711914	0.19
224.1335754	2.37
235.8867950	0.22
242.0590515	1.35
242.9679871	0.04
261.4706726	0.12
279.3688965	100.00
297.2093506	0.12
300.3123474	0.10
301.1100464	0.38
307.4607544	0.22
308.0799561	0.08
344.5296021	0.19
355.1686401	0.28
376.5038147	0.53
377.9348145	0.37
393.1452942	0.11
415.4605713	1.03
416.7283325	0.09
421.3659668	0.19
428.9429321	0.09
444.3435059	0.20
445.8537903	0.16
449.1106873	0.22
456.4093323	0.12
458.2313538	0.49
460.1250610	0.92
461.3559265	0.34
463.2144470	0.09
466.2804871	0.40
468.1735535	3.59
469.4244080	0.33
477.5376892	0.42
478.6899719	0.10
485.9625854	0.25
486.9830933	0.81
489.6329041	0.73
504.9657898	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.093
Annotation	Erinoside
Peak:m/z	Relative Intensity
112.9493713	0.08
120.8692474	0.03
122.2214966	0.04
128.8904877	0.07
130.8799286	0.03
135.2357788	0.05
137.0277100	17.67
154.0288849	0.03
168.9022522	0.06
173.0820923	0.11
174.9549255	0.02
183.0043030	0.14
192.2551422	0.02
193.0845947	0.38
199.2441711	0.03
207.3574829	0.11
223.0135651	0.07
224.8106995	0.36
231.1278687	0.41
232.9685669	0.03
241.2846375	0.04
246.8941345	0.19
249.0912476	100.00
250.2167053	0.30
251.2225647	0.31
259.2062683	0.11
260.9813232	0.05
267.1279907	7.34
268.0841370	6.10
269.1192017	1.83
271.3131409	0.04
273.3815918	0.02
282.8896484	0.04
287.2021790	0.08
290.9242859	0.27
297.3900452	0.03
299.8900452	0.18
315.2543030	0.12
316.3488159	0.04
323.2790527	0.04
324.0721130	0.06
325.1608276	0.23
326.3901062	0.03
327.2428589	0.11
330.2423096	0.05
341.1646423	1.12
342.2671204	0.13
343.1299438	0.31
345.0658569	0.03
350.2277222	0.26
351.0565186	0.17
358.9515076	0.11
368.2078247	0.06
369.1488647	0.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	249.1261
Annotation	Valyl-Methionine
Peak:m/z	Relative Intensity
71.9471359	1.94
88.1099396	0.06
100.7075043	0.07
115.0536652	0.57
118.0272980	100.00
119.9712524	0.05
128.9835663	0.08
130.2055054	0.10
131.1108856	0.05
131.8413391	0.35
140.0261383	0.10
142.9449768	0.04
143.9470062	0.14
146.9883270	0.03
147.8098297	0.03
156.1009521	0.11
159.1156158	0.21
163.2512054	0.09
163.9067841	0.03
172.8975372	1.27
174.7971649	0.02
176.9561615	0.08
181.9365234	0.09
182.7252197	0.12
183.9235382	0.16
184.9173431	0.24
185.8766022	0.04
187.0263977	0.03
189.0502472	1.23
191.0985260	0.03
193.1013184	0.11
200.8722534	0.05
201.5844421	0.07
202.2622223	0.20
202.9360657	0.47
204.1710358	0.02
207.8935394	0.69
213.1018219	0.27
217.0562286	0.19
219.1081543	0.61
221.0194244	0.15
228.6065674	0.06
230.3087158	0.32
230.9971161	3.94
232.0585938	5.15
240.3798370	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	527.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
151.7965698	0.04
166.7908020	0.14
168.1583405	0.71
179.2045135	0.04
180.1811676	0.06
186.0926361	1.99
207.1974182	0.30
226.4160004	0.12
227.6925201	0.37
244.5494995	0.25
254.3923035	0.10
268.2183838	0.15
279.1019897	0.13
281.5072632	0.03
282.3638306	0.10
298.3405762	0.04
299.2542725	0.40
300.3023682	0.04
319.1913452	0.03
352.3649292	0.08
355.1928711	0.04
357.5257568	0.05
365.3024292	0.09
367.1859741	0.26
370.2951660	0.58
379.4461060	0.09
391.1452637	0.27
394.4352417	2.22
395.2639771	0.14
397.1534424	0.20
398.0807495	0.04
412.3415527	100.00
413.4388428	0.66
414.3092041	0.39
431.1918335	0.80
434.9724121	0.06
438.4305420	0.22
441.2902832	0.15
442.4752197	0.04
448.2858276	0.02
451.2064819	0.20
465.4193115	0.04
467.3319702	0.04
477.1161499	0.11
481.2568970	0.15
483.3697510	0.69
485.3012695	0.25
490.6848755	0.16
491.4807129	0.47
497.5353394	0.09
508.4266357	1.97
509.2805786	18.83
510.2150269	0.61
527.0186768	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	166.0858
Annotation	Gentiatibetine
Peak:m/z	Relative Intensity
119.9692535	100.00
120.8039856	0.02
130.9048767	0.23
147.8559418	0.84
148.9165192	7.88
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	262.0568
Annotation	Ascorbalamic acid
Peak:m/z	Relative Intensity
77.8021393	0.08
82.0943604	0.10
94.0084381	0.17
95.9899292	20.24
98.0045166	0.63
99.8336029	0.08
101.0222397	0.25
110.1863251	0.08
116.0565186	0.12
116.7504120	0.03
119.0678406	0.38
125.9706726	1.06
127.9648285	9.10
128.7948914	0.83
134.0751801	0.05
135.1592102	0.40
138.0937195	3.67
138.7946930	0.18
139.8401184	1.37
141.1162415	0.52
142.0427399	48.38
146.0674133	0.85
147.3347626	0.10
149.0405426	0.04
154.0881805	0.08
155.9501648	4.55
157.9537811	100.00
158.9542542	0.20
170.1197510	0.87
172.0486298	7.52
174.0164337	0.73
182.1099091	0.12
183.0002594	0.06
183.8800507	0.11
187.9157867	4.08
200.0018311	14.12
201.4379425	6.80
202.0821381	91.27
214.0120392	0.10
216.8071442	0.08
217.9859772	23.66
218.9655151	8.99
219.5977936	0.08
225.9423981	0.11
231.9373169	0.44
244.1048584	4.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	614.9
Annotation	Unknow
Peak:m/z	Relative Intensity
198.9403992	0.12
217.1786804	0.08
229.0150909	0.17
273.0003357	6.77
387.0015259	16.37
457.9310913	0.17
485.2250977	0.04
486.0984497	0.03
498.9043579	0.10
500.8794556	100.00
501.5075684	0.25
512.0766602	0.14
541.0394897	0.02
553.9319458	0.05
555.1145630	0.05
567.8975830	0.19
568.7643433	0.46
569.4281006	0.01
571.0244141	0.22
572.0849609	0.04
582.0081787	0.05
582.9450073	0.01
587.0822754	0.05
595.9810791	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	217.03
Annotation	Unknow
Peak:m/z	Relative Intensity
86.8793793	0.53
88.8981934	4.17
101.0514984	1.47
119.0022888	8.68
128.0661774	0.37
130.7133942	0.58
142.8688049	3.31
145.1399384	0.93
149.1503448	1.29
156.8032227	2.93
160.9776917	12.01
171.3962402	0.27
172.7483521	0.46
179.0153656	100.00
181.0849152	6.22
199.1964264	2.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
114.9026184	0.33
129.8728333	0.49
139.1978149	0.60
149.030426	0.15
162.8724518	0.84
169.3710632	0.43
171.1914062	1.35
179.3429871	1.60
185.0462341	1.37
187.0885925	0.38
199.3394165	0.61
200.9443512	1.04
203.1379547	0.52
213.1165466	0.79
215.3678894	0.19
227.0241089	0.86
229.002655	2.30
243.0594482	2.04
245.5784302	0.23
255.3475037	0.90
257.2387085	1.89
259.1694336	1.15
261.3464966	0.63
263.5352783	1.34
269.095459	1.16
271.2356567	8.42
273.2742004	1.00
277.4503784	0.49
283.2709656	0.47
285.2018738	6.43
286.0296021	0.37
288.936554	0.29
291.2936401	0.32
295.438446	1.94
297.4430542	1.93
299.3358459	2.17
301.1832886	0.64
303.0215759	1.02
309.2149048	0.43
311.3850098	0.69
313.1843567	4.22
314.9883118	0.74
319.368927	1.86
321.3429871	3.31
322.3928528	0.76
323.3394775	7.34
328.0171509	1.38
329.2637024	0.71
337.4844971	0.53
339.2519226	100.00
340.203125	0.50
341.3857727	11.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
109.0136719	0.32
131.119751	0.28
141.0899353	0.34
155.1091003	0.24
157.1608887	0.28
159.0177002	0.84
171.0328979	2.69
173.1381226	0.91
184.9769135	2.44
187.0528259	1.65
189.2918396	0.31
199.133255	1.94
201.08284	2.38
203.1015625	2.29
215.0031128	3.16
217.2329712	0.46
229.1774292	4.12
231.2931824	1.65
241.0966492	1.31
243.3763123	3.79
254.2062378	0.43
254.8279724	1.10
255.5088196	1.51
257.1175537	3.58
258.9235229	0.23
261.3295288	0.39
263.4553223	3.50
269.3858643	3.40
271.2310791	5.44
273.2853088	3.92
283.3944397	0.86
285.4121704	5.61
295.3034973	2.04
297.1985474	6.06
298.0516357	0.62
299.3563538	2.61
301.2224731	0.85
305.1749573	0.91
306.7941284	0.21
311.1138306	0.28
313.2553406	2.60
315.35672	1.33
321.2280273	3.63
323.2419434	7.33
325.1390991	0.96
329.3889465	0.33
330.7172852	0.12
336.8323364	0.26
339.2474365	100.00
339.8648682	2.09
341.3889771	23.82
358.7225952	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	474.17
Annotation	Folinic acid
Peak:m/z	Relative Intensity
195.0333862	3.28
206.8427124	0.27
217.3345642	0.21
239.2097473	0.23
240.0303345	0.52
245.0454102	0.10
247.2515259	0.10
259.9682312	0.18
261.053894	0.21
281.032074	0.19
282.0391846	2.56
299.8598328	0.27
301.3323364	1.17
308.0755615	0.20
309.198761	0.62
309.9896851	0.21
311.2637329	0.16
312.286377	0.44
325.4346924	0.35
327.1207581	100.00
328.109375	0.29
345.1369019	28.57
358.0893555	0.17
359.3496399	0.11
369.0318604	1.00
385.2467041	0.28
411.2263489	0.18
415.3135681	0.45
428.0531006	1.93
429.6265564	0.35
430.6714783	0.18
432.9679871	0.07
436.4121704	0.46
439.2211914	0.42
448.3962097	0.08
455.1704407	0.79
456.2924805	25.98
457.2645264	1.16
464.2324829	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	356.07
Annotation	Unknow
Peak:m/z	Relative Intensity
111.8154602	0.29
112.8099594	0.08
113.6299591	0.06
123.7247162	0.10
129.9875946	0.37
132.0222015	0.24
174.9989319	0.32
176.9877167	2.24
177.7982941	0.51
179.0903320	3.49
201.0937958	0.19
207.8990173	1.22
208.9734344	1.18
209.8467255	8.83
224.9482117	7.33
226.0099792	9.42
226.9971008	100.00
227.6034241	0.06
229.4954834	0.13
257.9913330	0.13
262.9260864	0.66
269.0827332	0.09
274.3810425	0.13
275.2391968	0.30
275.9561462	0.05
279.8260193	1.12
281.0443420	9.95
292.2365723	0.78
293.0968628	0.85
296.1704102	0.11
297.1177979	0.21
310.0849609	0.40
311.2255859	0.12
312.9589844	0.08
314.8527222	1.22
318.2880554	0.32
318.9026184	0.14
320.0637207	0.72
321.3072205	0.15
325.9589844	0.90
328.2132568	0.51
332.8866882	0.14
338.0063782	4.15
338.9914856	1.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	643.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
217.0647888	1.15
217.9230042	0.20
241.2549133	0.06
303.1332397	12.21
304.1671143	1.94
318.7119751	0.09
321.0685425	8.51
322.2462769	1.15
339.2141724	0.10
363.3890991	0.06
364.3453979	0.03
379.3316650	0.03
381.2408447	0.34
395.2868652	0.07
402.9559937	0.06
419.1039429	0.15
420.3267212	0.03
434.1129761	0.30
437.1510620	1.65
438.2454834	0.27
447.6522217	0.08
464.0518188	0.02
467.1179810	0.31
479.1328735	20.53
480.2862549	4.84
485.1568604	0.16
486.0233765	0.23
495.2481079	0.12
497.2302856	11.47
498.2878418	3.03
500.1744385	0.04
511.2578735	0.13
524.2727051	0.16
539.2473755	29.69
540.2297974	7.79
543.1331177	0.12
552.2454224	0.07
572.0925903	0.06
579.7595825	0.02
581.0964355	0.52
581.7617798	0.02
582.7966919	0.08
597.4132080	0.13
604.9821167	0.08
607.3523560	0.06
608.1728516	0.17
625.1987305	100.00
626.1826782	29.32
626.8392944	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	307.0826
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
101.9696198	0.46
129.9485931	46.76
131.0040588	0.53
139.9934540	0.07
149.9512329	0.18
160.0063171	0.14
161.9905853	0.32
177.1187592	0.57
178.8652649	1.87
185.0875549	0.07
186.9765930	0.08
191.1249084	0.42
193.0262451	0.10
199.0319519	0.45
209.1144409	0.42
211.1645813	0.85
231.1098328	1.62
231.9939270	0.19
233.2396240	0.12
234.9439697	0.46
239.0517273	0.54
242.5344543	26.74
243.1674194	3.81
245.2833557	0.63
246.6930237	1.00
255.6121216	0.40
256.3149414	0.22
257.1660767	0.31
260.5058899	1.05
261.2067871	1.52
266.6381836	0.32
269.5853882	24.33
270.2059326	5.24
272.2772217	0.12
275.5884094	40.50
276.2481384	4.14
277.2339478	0.38
278.5403748	0.04
289.3619690	0.47
290.0747070	0.10
291.4572144	0.17
298.5831299	79.59
299.2246704	10.81
326.0511169	0.15
337.0648499	0.46
340.2604675	0.49
341.2002869	0.46
355.2111511	100.00
356.1800232	7.16
363.8711243	0.18
364.4914551	0.22
381.1512451	4.83
381.9394836	0.72
409.1423950	12.87
410.2549133	1.31
421.1616821	0.23
466.2114868	2.33
467.1661987	0.85
484.1410217	75.96
485.1278992	8.63
520.2933960	1.47
521.1052856	0.38
538.2116699	21.91
539.3071289	2.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	437.9714
Annotation	Unknow
Peak:m/z	Relative Intensity
184.8949585	0.05
196.1600647	0.04
214.0609436	0.04
220.0152130	0.02
233.5199890	0.03
234.1512451	0.01
241.9111633	0.01
245.5192261	0.01
246.1570740	0.08
248.3862610	0.04
259.9812622	0.01
264.0575867	0.03
274.0578613	0.02
275.6923523	0.04
282.8759155	0.01
303.9988403	0.13
308.1629944	0.05
309.1691895	0.06
313.4386597	0.02
330.3009644	0.05
332.0419922	0.33
345.2554932	0.04
346.8426208	0.05
347.9660645	1.00
353.3408813	0.07
357.8505249	0.19
374.2328796	0.02
375.8178101	0.19
376.4339294	0.03
391.9396057	0.07
393.9880066	100.00
401.7429199	0.05
405.2819519	0.02
408.1222839	0.02
419.3188782	0.70
420.1448669	1.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1003.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
289.1763916	0.18
292.8927307	0.02
298.4325562	0.08
309.4145508	0.03
317.4589233	0.03
320.3440552	0.04
331.1209717	0.08
339.2749634	0.06
351.3790894	0.07
367.0914917	0.07
385.2190552	0.04
393.1638794	0.12
393.8152771	0.02
395.3683472	0.05
411.2602539	2.50
412.3403931	0.34
415.5209656	0.06
419.3877563	0.06
421.4049683	0.11
429.2933655	2.57
430.4998779	0.24
435.0892944	0.12
436.1527100	0.13
437.3625488	0.31
449.2499084	0.04
453.6333618	0.29
455.2059937	7.54
456.2084961	0.75
457.0933838	0.04
459.5061340	0.05
461.5201416	0.03
465.4595642	0.03
469.5047302	0.16
473.2576294	15.50
474.2869873	2.75
477.4323425	0.07
479.0931396	0.25
483.2055969	0.06
487.2783203	0.23
487.9301758	0.04
491.4240723	0.23
493.3013306	0.03
494.9780884	0.11
497.4591675	1.20
498.3789368	0.35
503.1484985	0.01
510.2438354	0.04
511.1501465	0.32
511.9326782	0.07
515.3087158	0.83
516.5162354	0.20
521.4478760	0.22
527.5007935	0.18
528.2669678	0.06
529.2711182	0.70
530.2233887	0.18
533.0232544	0.15
539.0618896	0.12
545.3260498	0.15
552.8024902	0.18
557.2796631	0.03
569.5645752	0.12
573.4168701	0.05
574.3186035	0.11
581.4467163	0.57
582.2020264	0.11
600.0067139	0.06
617.0390625	0.16
629.1576538	0.05
635.1445923	0.19
636.4194946	0.03
641.3934937	0.04
647.7823486	0.06
659.1865234	0.10
661.4922485	0.12
662.5808105	0.06
679.4174805	0.89
680.2185059	0.11
683.2952271	0.07
684.3164062	0.04
685.5169678	0.02
688.1816406	0.03
689.0935669	0.17
690.2288818	0.16
692.6369629	0.09
694.1906128	0.11
699.0523682	0.16
701.0408936	0.09
707.8969727	0.12
709.5072021	0.05
717.4399414	0.04
719.3107910	0.16
721.3039551	0.06
722.3927002	0.03
725.4423218	0.16
735.2167969	3.42
736.3027344	0.95
737.4259033	1.70
738.3631592	0.54
743.2034912	0.13
744.6232910	0.03
753.2769775	0.02
761.2849121	2.23
762.4031372	0.66
779.3139648	29.65
780.3848877	10.44
797.3162842	100.00
798.3981934	30.99
827.3933105	0.12
841.5025635	0.03
843.4359131	0.12
854.0273438	0.05
904.8404541	0.11
925.2147217	0.18
943.1480713	0.38
944.5842285	0.20
958.9458008	0.04
959.5993652	0.15
971.0905762	0.24
972.3117676	0.05
985.2426758	0.84
986.3162842	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	796.6325
Annotation	Unknow
Peak:m/z	Relative Intensity
226.2202759	0.05
231.1044159	0.45
231.9047699	0.08
240.3584137	0.50
241.2094116	1.01
242.8364410	0.23
244.8378296	0.15
250.2533875	0.35
255.1469727	0.70
259.2269287	0.71
260.5598755	0.27
267.2882080	0.19
268.3344116	0.10
269.2201233	0.16
270.4349976	0.29
273.0735474	0.06
279.1177063	0.11
284.2851562	0.22
287.1375427	0.10
290.1040649	1.13
290.7722778	0.11
294.3417969	0.21
296.1371155	0.98
298.3842163	0.21
299.0762634	0.21
307.1797180	0.12
314.0206299	0.76
315.2017822	0.05
316.4007874	0.05
317.3400574	0.50
323.8565063	0.90
325.5051270	0.54
326.3715820	0.22
327.8944092	0.22
332.2889709	0.44
335.2605896	0.27
336.7891846	0.04
337.4173584	0.39
339.2222900	0.80
340.1218567	0.29
341.1539917	0.77
342.2319336	1.12
342.9743652	0.26
344.1563110	0.30
346.9315796	0.49
351.3392944	1.15
352.2937012	0.37
357.2946167	1.31
358.1606750	0.66
360.4136353	0.82
361.1805420	0.26
362.4495239	0.30
366.9752808	0.16
368.2125854	0.39
369.2784424	0.70
370.4024048	0.32
372.0983887	1.25
373.0213623	0.38
374.1115112	0.19
375.2790527	0.70
380.5200195	0.34
383.1587524	0.12
385.9419556	0.13
388.3519287	0.09
391.2824707	7.21
392.3666382	0.33
395.2458496	1.30
396.4456177	0.43
397.3963623	1.48
398.2094116	0.18
400.3543701	0.27
402.4850464	0.11
404.8170776	0.17
407.9732666	0.70
409.6256714	0.25
412.5424805	0.24
413.1784668	0.28
415.4102783	0.32
418.2219849	0.09
419.0239258	0.61
419.7999268	0.60
420.7546387	0.10
422.3068237	0.41
423.6422119	0.91
424.4136353	0.22
426.0308838	1.71
426.6903076	0.05
427.4120483	0.55
429.3605347	1.04
430.3067017	0.86
431.4486084	1.72
432.7491455	0.85
433.4381104	0.25
434.1267700	0.15
435.0554199	0.08
436.2964478	1.43
440.0581665	0.11
441.3454590	0.49
443.2036743	1.00
444.9809570	1.48
445.7864380	0.26
446.4293213	0.06
447.3247681	1.21
450.2523193	0.16
452.3519287	0.11
453.3316650	0.08
454.2500000	0.82
455.2084961	0.21
456.3040771	0.30
459.2268677	0.45
460.8622437	2.59
461.7145386	0.53
463.4393311	0.38
466.9696655	0.44
468.1750488	1.38
469.4977417	0.37
470.3106079	0.28
473.0793457	3.91
474.3419189	2.02
475.4372559	0.43
476.4667969	0.27
480.5328369	0.22
486.3091431	0.26
487.3483887	0.83
490.4256592	18.17
491.4650879	4.76
492.2373657	1.00
493.4434204	0.33
494.3872070	0.16
499.4680786	0.20
500.8991699	0.58
506.2354736	0.13
507.3539429	0.18
508.0008545	0.34
509.6241455	0.35
511.8302002	0.48
512.4700317	0.40
514.3069458	0.68
515.8514404	0.10
517.2769775	0.35
519.3895264	0.18
520.5483398	0.10
522.8056030	0.49
524.3680420	0.38
526.1079712	6.45
526.9873047	1.72
527.6550903	0.70
528.3703003	0.40
532.5922852	0.77
533.9919434	0.28
537.5316162	0.57
538.6584473	0.19
542.5441895	0.47
543.2405396	0.91
544.4632568	0.22
546.7614136	0.51
548.4974976	0.88
549.2949829	0.51
553.4139404	0.47
554.5177002	1.16
557.3785400	0.68
559.6521606	0.43
560.8031006	0.37
561.4811401	1.26
562.2373657	0.16
563.6796265	0.47
564.4266357	0.49
565.5578003	0.28
567.4312134	0.07
570.0940552	0.88
573.6531372	0.12
575.3893433	0.21
576.3604126	0.27
577.6690063	0.09
578.4329224	0.35
579.6391602	0.12
581.0861206	0.45
582.1868286	0.92
583.6135254	0.36
584.4412231	0.75
585.0742798	0.69
587.5003662	0.22
589.2248535	0.96
590.6345825	9.24
591.4909058	2.64
592.4105225	0.70
593.8173218	1.09
594.5985107	0.47
595.4594727	0.34
596.4448853	0.43
599.0927734	1.69
601.3472900	7.80
602.5581055	2.20
603.4546509	1.25
604.0618286	0.17
605.4501953	1.21
606.1109619	0.73
607.3814087	0.19
608.6859741	0.07
609.9772339	0.64
611.6118164	2.61
612.3690186	0.06
613.4074097	0.46
615.1549683	7.23
615.9361572	2.62
617.1213989	0.65
619.4190063	33.57
620.4770508	11.69
621.4064331	5.23
622.4517212	1.12
623.4766235	2.02
624.7265015	0.92
625.4519653	0.63
627.1458740	1.49
628.8745728	0.20
630.5390015	1.66
631.2341919	0.96
632.5641479	1.00
634.3866577	0.49
635.6928101	1.38
636.7192383	1.09
638.4752197	1.32
639.4329834	1.12
640.3396606	1.51
641.1111450	1.91
645.1427002	3.90
645.9777832	2.29
647.4908447	1.19
648.5552368	2.97
649.3569336	3.16
650.3527222	0.95
651.2178955	1.29
653.1990967	0.43
654.4863892	13.77
655.3796997	5.50
656.4642334	2.49
657.4813232	2.53
658.4329834	2.11
659.4356079	1.88
661.3098755	3.39
662.1975708	0.90
663.3429565	2.69
664.6613770	0.54
665.3486328	0.57
667.2345581	1.80
667.9297485	0.87
668.9938354	0.41
669.9199829	1.47
670.8582764	0.49
671.8026123	2.43
672.5845947	0.26
673.5083618	0.86
674.3619995	1.96
676.6082764	15.48
677.6129761	5.27
678.5334473	0.20
679.3186646	1.88
680.8812256	1.30
682.4992065	9.41
683.2608032	0.17
684.2918091	2.71
685.6819458	0.34
686.5934448	0.98
687.3106689	0.22
688.1224976	2.97
688.7224731	1.29
689.5099487	1.92
690.5168457	28.52
691.5562744	13.25
692.5489502	4.71
693.7564697	4.71
694.5540161	1.09
695.2874756	1.85
695.9907227	0.66
697.7323608	0.62
698.5620728	1.79
699.8576050	4.79
700.9887695	3.14
701.8599243	1.87
703.6517944	4.92
704.8225708	10.19
705.9122314	6.09
707.4580078	3.91
708.8690796	0.21
710.5546265	7.79
711.2668457	4.21
713.1017456	10.35
714.0410156	6.75
715.0545654	0.62
716.2821655	4.16
716.8872681	1.74
717.8731079	1.43
719.2733765	26.89
720.0483398	12.00
720.6969604	6.89
721.5222778	0.72
722.4404907	3.69
723.2799683	2.49
724.0876465	1.53
725.4078979	9.11
726.1676636	3.00
727.9866333	1.90
728.7532959	1.08
730.0132446	1.77
731.8944702	17.31
732.7625732	2.83
733.7799072	1.78
734.3875122	0.81
735.2343140	1.76
736.7041626	4.43
737.7122192	1.39
738.7039185	1.19
739.9370117	1.56
741.4302979	1.77
742.2249756	4.13
743.2238770	1.48
744.5082397	0.19
745.5137329	2.17
746.4482422	0.91
747.3646240	0.58
748.6069946	2.17
749.4154053	0.75
750.5928955	4.67
751.4467163	3.49
752.1697388	3.93
752.8868408	5.23
754.3485718	10.79
755.1663208	7.92
756.4466553	3.59
757.2330322	7.63
758.2860107	18.53
759.2102661	6.04
760.1423950	18.93
761.0027466	1.95
762.7565308	16.33
763.9041138	2.14
764.9809570	10.60
766.1952515	3.66
767.5580444	2.88
768.8397827	100.00
769.9957886	9.83
770.6914062	0.65
771.6190186	1.28
772.4524536	0.40
774.3540039	28.98
774.9617920	19.59
775.8273926	3.06
776.9415894	5.24
777.5532227	27.02
778.5720215	14.85
779.6828613	10.76
780.8814087	4.07
781.6845093	18.41
782.4426270	2.48
783.7113037	17.87
785.0096436	6.11
785.8621826	7.94
786.4738159	10.19
787.6818237	5.23
788.3120117	68.40
789.3248901	1.26
790.0712280	0.74
791.7214355	0.92
792.7583008	0.25
797.4721069	0.12
798.4127197	0.08
799.7990112	1.42
800.5899658	0.58
801.4933472	0.14
802.1283569	0.15
804.2171021	0.66
805.8401489	0.96
806.9010620	0.69
807.5426636	0.33
808.6882935	1.66
809.5811157	1.98
810.3505249	1.42
812.2053833	3.08
813.0216675	0.22
814.6380615	5.69
815.4215088	2.22
816.9360962	9.35
817.7506104	6.61
819.1603394	2.50
819.9675903	2.57
820.8293457	13.42
821.6771851	0.32
822.3249512	0.80
823.2162476	3.10
823.9821167	1.14
825.1665649	18.49
826.2021484	31.07
826.8927612	12.83
827.8410034	2.97
828.7267456	2.20
829.6542358	2.07
830.6060181	1.74
831.5393066	0.19
832.5282593	7.26
833.2899170	6.00
834.0529785	1.23
835.2522583	2.32
836.4190063	1.15
837.5675049	2.74
838.4515381	5.84
839.1818237	0.55
840.8192749	4.31
841.5079956	2.29
843.6638184	4.52
844.2924194	12.49
845.0193481	4.65
846.3474731	4.16
847.2479858	4.81
848.2905273	1.35
850.2450562	17.01
851.2637329	3.59
852.0507812	0.80
853.4838867	1.10
854.4420166	1.05
855.4619751	1.88
856.4353638	18.78
857.2788086	1.87
858.4060669	0.22
859.0245972	0.73
859.9583130	1.11
861.1461792	1.03
862.3322144	14.86
863.1093140	1.36
864.4738159	34.78
865.5086670	22.47
866.4525757	5.25
867.4655151	2.36
868.7557373	0.18
870.0036011	0.21
872.4678345	4.79
873.6063232	2.48
874.7799072	6.34
875.8046265	4.98
876.5092163	0.07
878.7879028	0.09
879.6550903	1.16
881.2937012	14.97
882.0796509	1.65
882.8451538	2.15
885.6495361	0.81
887.1808472	7.01
887.9943848	2.50
890.1521606	2.72
891.6665649	0.37
893.2765503	11.04
894.3455200	0.83
895.2514038	0.77
896.4260864	1.95
897.4833984	1.67
899.1369019	32.68
899.7644653	16.13
900.5549316	3.09
901.6462402	1.15
902.5181274	0.72
903.2778931	0.93
905.0161743	6.34
905.8169556	1.42
906.9227905	0.91
907.9534302	1.05
911.4605103	0.97
913.4016724	2.33
914.2445679	3.47
914.8799438	0.52
916.1343384	2.12
917.2573242	2.53
918.0720215	1.14
918.7299194	0.40
920.2781372	1.65
922.0846558	9.68
923.2712402	5.10
924.3744507	1.50
925.5808105	2.80
926.4976196	4.53
927.7697754	1.61
928.8720703	1.96
929.7297974	0.68
931.0292969	17.83
932.3296509	14.98
933.5604858	3.59
934.5825806	1.47
935.6763306	2.12
936.8248901	9.79
937.9982910	1.86
938.7272339	11.17
939.7578125	6.21
941.0382690	2.67
942.2238770	0.80
943.2030640	1.88
945.4426270	0.25
946.1427612	2.89
947.6629028	0.76
948.8872681	1.23
950.4905396	0.53
951.1000977	2.33
951.7985840	0.21
954.1047974	1.85
956.4328003	1.91
957.6391602	1.06
959.9078979	4.57
960.7368774	3.18
961.6740112	1.02
964.3384399	1.22
965.0236206	0.88
966.1074219	8.46
966.9538574	4.49
967.7744141	0.15
969.0621948	1.03
969.9114380	0.16
971.5971069	0.59
972.3779907	5.00
973.4135742	4.12
974.0299683	0.55
974.8765259	0.99
975.9483032	9.24
976.8280640	2.65
977.7072144	1.04
978.5966187	0.49
979.1983032	0.27
979.8051758	1.51
981.4404297	2.23
982.2075195	6.50
983.7633667	0.54
985.2668457	0.63
986.1951294	3.04
987.1452026	1.99
988.3259277	0.60
989.0922241	0.11
991.6499023	2.56
992.4225464	4.29
993.5479126	20.23
994.6902466	24.03
995.7040405	11.14
996.6260376	1.72
998.1884155	7.74
999.5556641	0.68
1000.5749510	1.73
1001.4340820	1.49
1003.2937010	5.84
1004.2648320	16.86
1005.1227420	1.90
1006.4055180	1.59
1007.4089360	0.20
1008.5813600	0.33
1009.6961060	0.40
1010.3726200	0.59
1011.2147830	0.18
1012.7143550	2.04
1013.6546020	1.66
1014.5278320	1.35
1015.6884770	0.43
1016.8545530	0.91
1017.6572880	1.02
1020.3798830	0.82
1022.6095580	1.35
1023.7232060	0.44
1024.8446040	2.59
1025.4790040	0.39
1027.3847660	0.36
1028.8745120	2.68
1029.9420170	1.59
1030.5742190	4.56
1031.8449710	1.95
1032.8476560	2.18
1033.7146000	0.41
1035.6154790	0.36
1037.4903560	1.87
1039.0881350	0.37
1040.3188480	0.90
1041.1989750	1.02
1042.9101560	2.21
1045.3068850	0.36
1046.3553470	0.11
1047.2092290	1.49
1048.4184570	1.90
1049.3598630	0.51
1050.6872560	5.15
1051.7480470	3.74
1052.4127200	0.51
1053.6986080	2.14
1054.6142580	0.14
1055.5471190	0.13
1058.1621090	0.19
1059.1186520	3.67
1060.1032710	2.58
1061.3782960	0.43
1063.8128660	2.78
1064.7421880	1.35
1065.4881590	0.15
1066.3635250	0.26
1067.4965820	3.03
1068.2795410	5.86
1069.2623290	0.96
1071.8630370	0.91
1073.3726810	0.38
1074.3916020	0.42
1075.0623780	0.07
1075.7302250	0.08
1076.6589360	0.91
1077.8669430	0.60
1078.7578120	0.13
1080.2072750	0.29
1081.5617680	0.20
1083.6109620	3.00
1085.9307860	0.79
1087.1462400	1.28
1088.6323240	1.20
1089.6005860	0.09
1091.5795900	1.18
1093.7844240	0.75
1096.2009280	0.97
1097.0008540	5.77
1097.8245850	0.86
1099.8690190	0.29
1102.2786870	0.72
1104.4843750	1.10
1105.3032230	1.41
1106.1645510	0.42
1107.5820310	0.55
1110.7631840	1.42
1112.1293950	0.42
1112.7365720	0.32
1114.1417240	0.27
1114.8596190	0.09
1115.5136720	0.83
1118.5424800	0.75
1120.1738280	0.30
1121.7282710	1.44
1122.5520020	10.33
1123.6657710	11.59
1124.5642090	1.71
1125.5994870	0.86
1127.1690670	0.32
1127.8150630	0.82
1130.0888670	0.65
1131.4321290	0.77
1132.3957520	0.84
1133.7795410	0.24
1136.7702640	6.07
1137.6521000	2.72
1138.5949710	0.33
1139.4989010	0.12
1142.8166500	0.27
1144.0463870	0.26
1145.7204590	1.81
1146.4543460	0.45
1148.8547360	0.76
1150.6746830	1.00
1151.6645510	0.52
1152.3781740	0.76
1155.1550290	0.13
1157.2131350	0.47
1158.5534670	0.16
1159.3752440	1.83
1160.7270510	8.33
1161.4201660	11.94
1162.4833980	5.36
1163.2333980	0.82
1163.8747560	0.13
1164.8045650	1.21
1165.5456540	0.90
1168.9935300	0.65
1169.7829590	0.29
1173.2871090	1.13
1174.2996830	0.72
1175.6962890	0.72
1177.2286380	0.68
1177.9882810	0.27
1179.0229490	0.19
1179.6766360	0.87
1180.4321290	0.33
1181.0468750	0.33
1183.8107910	0.19
1184.4472660	0.27
1185.8874510	0.35
1188.1406250	0.49
1190.4201660	0.22
1191.0545650	0.51
1193.2514650	0.39
1195.3657230	1.50
1195.9727780	1.51
1197.2229000	0.22
1198.1658940	0.62
1198.9570310	0.06
1202.8894040	0.07
1204.2514650	2.27
1205.1003420	4.35
1205.7846680	1.92
1206.6160890	0.52
1208.3488770	1.23
1209.2661130	1.57
1210.2138670	0.83
1210.8437500	0.04
1212.5408940	0.73
1217.4382320	1.87
1218.4840090	1.46
1219.8424070	0.95
1220.9022220	0.14
1222.9124760	1.37
1223.7480470	6.69
1224.6831050	2.30
1225.6884770	2.03
1226.7176510	0.08
1227.6713870	0.79
1228.4221190	0.82
1231.3688960	0.29
1233.6088870	1.34
1234.4201660	1.02
1235.1070560	0.22
1236.0430910	0.37
1237.6250000	0.40
1238.6994630	0.53
1239.6075440	1.63
1240.3675540	0.72
1248.3913570	3.51
1249.1691890	0.87
1250.3566890	0.58
1251.3270260	0.34
1258.7009280	1.80
1259.8585210	0.97
1260.7978520	0.30
1261.7354740	0.51
1262.5957030	0.12
1264.8653560	0.16
1270.4906010	0.49
1274.4898680	0.19
1275.4200440	0.55
1276.7838130	0.33
1277.7703860	0.17
1278.6511230	0.27
1279.5369870	0.33
1280.2796630	0.20
1282.6412350	0.20
1283.4949950	1.97
1284.3828120	0.59
1285.6517330	0.99
1287.5600590	0.17
1289.4965820	0.58
1290.6910400	0.22
1293.8060300	0.84
1294.7257080	0.57
1295.5026860	0.44
1299.0784910	0.19
1306.5374760	0.75
1307.8144530	1.11
1308.7242430	0.57
1309.7204590	0.55
1311.8309330	0.33
1320.4300540	0.46
1324.9707030	6.23
1325.8758540	3.63
1326.5872800	0.78
1327.7205810	0.52
1330.6842040	0.13
1340.0523680	1.02
1344.0236820	0.29
1348.0959470	2.64
1348.9936520	2.10
1349.6400150	1.98
1352.1069340	0.11
1354.2138670	0.47
1360.9093020	0.12
1362.8889160	0.62
1368.1469730	0.31
1375.8017580	0.39
1388.0090330	0.11
1388.8673100	0.22
1399.2132570	1.21
1405.9261470	0.65
1407.8306880	0.62
1409.4820560	0.62
1410.4013670	0.67
1412.3065190	0.28
1417.7159420	0.16
1419.6506350	0.36
1422.7691650	0.19
1423.8708500	0.78
1425.0433350	0.04
1425.7487790	0.21
1426.8033450	0.61
1435.0872800	0.34
1436.8245850	0.33
1437.7663570	1.47
1439.8726810	0.14
1456.0603030	0.09
1458.5303960	0.08
1474.8126220	0.19
1475.7154540	0.47
1476.5610350	0.88
1477.8028560	0.14
1508.2330320	0.12
1516.8953860	0.35
1518.3043210	0.82
1519.8939210	0.86
1520.9925540	0.62
1530.8634030	0.20
1535.7492680	5.37
1536.8748780	5.66
1537.9752200	3.74
1538.9204100	0.69
1540.8520510	0.08
1575.1066890	0.07
1585.5574950	0.21
1605.0280760	0.56
1614.9323730	0.53
1626.8470460	0.35
1631.9167480	0.04
1632.5550540	0.36
1638.7064210	0.24
1639.5197750	0.07
1648.8654790	1.09
1650.1643070	1.37
1650.9112550	0.19
1652.0118410	0.44
1657.3260500	0.13
1663.6418460	0.25
1703.9255370	0.38
1734.2791750	0.17
1776.3250730	0.72
1797.9058840	0.26
1802.8560790	0.26
1842.5994870	0.09
1962.1505130	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	351.156
Annotation	Unknow
Peak:m/z	Relative Intensity
126.8788452	0.28
128.0171204	0.03
145.1008759	0.05
161.1127014	0.04
162.2718964	0.04
166.9086304	0.05
176.3448029	0.03
183.0371094	0.01
193.2153015	0.14
194.8721619	0.06
197.1379700	0.01
203.2322998	0.06
206.1207581	0.05
207.1985474	0.07
217.2558899	0.06
222.9898376	0.12
239.1233215	0.04
240.0562744	0.04
245.2408447	0.23
248.2987976	0.06
263.3207703	0.53
271.2756653	0.02
271.8917847	0.18
273.0129395	0.01
273.8598633	0.02
274.9259033	0.10
279.0396118	0.04
280.3062439	0.02
282.6343689	0.03
288.6674194	0.15
289.2755127	3.03
290.1624756	0.09
291.1331177	0.42
305.0662231	1.30
307.1910706	100.00
308.1339111	0.08
309.3468018	0.03
312.8935547	0.10
314.0145264	0.98
315.0431824	0.95
316.0369873	0.72
322.8780823	0.02
331.2288513	0.06
332.5299683	0.33
333.2366028	1.34
334.1216125	0.18
335.1679382	0.03
337.0488281	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	360.1492
Annotation	Lactulose
Peak:m/z	Relative Intensity
126.4337997	0.12
127.2428894	0.27
145.0061951	0.80
161.9504547	0.28
163.2800446	0.82
180.0121307	10.73
186.2719879	0.98
198.0806580	3.03
226.2421265	0.37
247.0044861	0.22
252.8967285	0.12
254.9017639	0.25
258.6090088	0.31
259.2620850	0.18
271.0995178	0.88
276.8538513	0.42
287.3830261	0.23
288.3417358	1.26
289.0186157	3.90
306.8291321	0.41
324.9119263	100.00
325.5943909	0.41
329.5662231	0.10
339.7334900	0.34
341.9176941	3.83
342.7708435	4.49
343.4381409	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	347.0874
Annotation	Mannopine
Peak:m/z	Relative Intensity
108.1248550	0.22
109.1781311	0.09
109.9697113	0.04
117.8803635	0.23
131.0355835	0.08
135.9815063	1.41
137.0116882	1.80
154.0002136	100.00
154.9813843	0.10
173.1174774	1.35
192.1750031	0.01
210.1112061	0.32
213.1240845	0.05
225.0148621	0.05
227.0655518	0.43
239.2573242	0.02
241.2550049	0.10
257.1099548	0.17
293.4623108	0.05
304.1759033	0.03
311.2012634	0.03
329.2004395	1.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	304.96
Annotation	Unknow
Peak:m/z	Relative Intensity
109.2389603	0.12
131.0480652	0.73
142.1304016	0.73
173.0344238	0.35
193.1457977	0.11
221.1464233	1.03
233.0360107	0.37
235.2886658	0.13
245.0597839	2.22
246.0509949	2.73
257.9892883	1.24
258.6929321	1.63
259.3008118	0.82
260.7703857	1.72
261.4497070	0.15
263.8392944	100.00
264.5886841	0.32
268.2091675	0.93
269.1521301	1.03
275.2960815	0.32
276.8753662	2.34
278.6483765	0.72
281.0486145	3.27
281.6972046	7.10
282.2993164	0.28
287.0776978	4.12
289.5539551	0.95
295.7389526	2.13
305.2077026	0.86
305.8294067	0.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.278
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
140.1133575	0.15
152.9446106	0.14
195.9606628	2.06
196.5851288	0.03
198.9667206	0.02
214.1187134	1.15
223.1583099	0.03
224.6516876	0.02
255.2666321	100.00
284.1524658	0.04
391.3345032	0.50
392.0877991	0.03
405.5638428	0.02
406.3421936	0.03
407.1672668	0.14
408.4799500	0.05
409.5761108	0.12
414.5005188	0.01
416.1153564	0.01
434.1553040	0.05
435.2359924	0.05
437.4181824	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
136.9927368	2.07
158.922821	4.72
171.0166016	0.72
204.8995514	1.63
223.2994843	6.32
224.2896271	2.84
239.2331848	4.44
256.9859619	2.07
259.3000183	1.96
266.0366821	4.19
270.342865	1.74
279.9931335	1.40
281.2089233	1.84
282.3443909	4.47
287.0148926	3.44
288.3172302	2.19
295.1890869	1.29
296.0587769	3.31
301.3002625	2.62
308.1743774	9.30
310.2795105	3.98
312.3890991	1.19
318.0895996	1.76
324.2701416	4.22
328.5429077	7.71
337.1609497	8.21
337.8869324	1.50
338.5015259	4.21
339.8936462	8.96
352.8745728	4.64
354.6379089	8.57
355.7675171	2.86
366.2987976	5.65
367.7848206	11.28
376.9081726	8.36
380.2567139	5.48
382.5563049	1.79
384.8089905	8.38
386.2516174	3.18
390.3417664	11.59
391.2323914	9.46
403.0114136	6.02
406.1677551	13.29
407.6090698	21.33
408.2640076	100.00
409.3247375	10.06
410.2040405	9.18
416.928009	11.87
425.5743103	22.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	330.1174
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
101.1968918	0.05
123.4172821	0.13
128.8910828	0.39
150.0321655	30.75
156.1791687	0.42
163.2576599	0.06
167.9364929	100.00
169.1145020	0.10
170.1706543	0.07
199.2495117	0.21
233.6043701	1.10
239.6498718	0.37
242.0606995	0.18
244.2528076	0.38
250.0938721	0.33
251.7912598	0.08
253.0590210	0.10
254.1732483	0.15
267.9457092	0.38
269.9836426	0.16
295.0682983	0.76
302.1078186	0.35
312.0908203	1.72
313.1282349	0.33
321.2055359	1.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	435.96
Annotation	Unknow
Peak:m/z	Relative Intensity
128.0914001	0.12
139.2808990	0.12
155.9644775	0.24
160.0461121	0.19
163.0734711	0.11
169.8617401	0.03
176.0012360	0.15
177.1822815	0.30
178.0452423	0.75
178.9096680	0.14
183.9634399	0.17
193.0722351	0.07
194.0494995	1.34
195.0048828	0.43
195.8520813	0.27
197.9736633	0.05
199.9728851	4.43
200.9949341	0.51
211.2099915	0.08
213.0778351	0.06
213.9250183	0.68
217.9060516	0.17
227.1690521	0.16
227.9387512	0.67
240.1047058	0.04
241.0420227	0.04
242.8995361	0.12
243.9157410	1.68
246.1050415	0.47
254.2174072	0.22
255.1854553	0.46
257.8889160	18.05
258.5101318	0.03
259.1302490	3.66
261.8551331	0.28
263.3083191	0.08
267.9587402	0.31
269.3136292	0.16
271.8090515	0.20
273.1437378	0.09
274.1210327	0.04
275.1918945	0.89
284.1347351	0.25
285.8265381	1.20
287.9221191	3.03
289.9342651	0.78
290.9971924	1.27
296.3529358	0.10
298.4467163	0.15
299.2002869	0.20
300.2914734	0.06
301.1887207	0.78
301.9223022	10.11
304.0626221	0.99
305.3469238	0.17
306.1805725	0.63
307.2854004	0.51
308.1713257	0.04
313.0096130	0.24
314.2322998	0.37
321.8459473	0.09
328.0239563	0.44
329.2954102	1.34
329.9987488	0.48
331.9214478	31.38
332.8621826	0.20
334.0911255	0.22
340.3394165	0.11
345.7733765	6.42
346.4203186	0.02
348.0245667	0.20
355.6840210	0.12
356.3612671	0.12
357.8217163	0.30
372.1284790	100.00
373.8401489	1.51
374.7305298	0.05
377.3150635	1.38
384.2807007	0.06
389.4371338	0.49
390.2629089	0.06
391.4615173	2.41
392.0872192	10.44
394.3709717	0.03
399.3013916	0.27
400.0417786	0.41
401.2572327	0.35
402.2118225	0.06
417.3915100	1.99
418.0751038	22.26
421.1347656	1.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	401.1087
Annotation	Veranisatin B
Peak:m/z	Relative Intensity
134.0823364	0.06
143.1776581	0.02
151.0567322	0.03
161.1666260	0.04
165.1486664	0.07
178.0699158	0.14
193.0450287	20.81
197.0099487	0.04
207.3392334	0.11
209.2526093	0.04
210.8794098	0.03
221.1619720	0.59
224.1203308	0.09
234.9746094	0.03
237.2012329	0.07
238.1142273	0.08
247.9855042	0.06
249.1342163	0.13
263.0841675	0.43
264.1338806	0.07
267.1596069	0.45
280.9277954	0.03
283.1027832	0.13
285.9672241	0.13
287.0859985	0.10
292.2420959	0.02
292.9075623	0.12
301.3636475	0.20
304.3130493	0.06
307.2597961	0.04
307.9273682	0.05
311.0746460	0.02
316.9881287	0.06
321.0702820	0.06
337.9387817	0.08
340.3633118	0.02
341.1470947	0.07
343.4444580	0.03
351.5728455	0.10
353.1528015	0.05
355.1187134	100.00
356.1880188	0.09
357.3053284	0.51
358.9565735	0.09
362.0549011	0.06
364.0064392	0.03
365.4382935	0.23
368.9555359	0.11
381.4216003	0.18
382.1084290	0.11
383.2118835	0.50
385.7002869	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
136.2787628	0.19
148.9656372	0.73
156.1031494	0.55
169.2678528	0.68
171.2490997	0.58
172.6703186	0.79
184.9949188	1.82
187.1419678	0.77
198.9649658	0.21
201.2244873	1.94
212.0598297	0.79
213.1781921	0.59
215.2272034	1.31
217.1462402	1.53
229.4056091	2.13
230.1794434	0.81
237.3061523	0.32
243.1120911	1.81
245.0471802	0.31
257.085022	0.98
259.1329651	2.27
261.2752686	0.80
263.3084106	0.64
271.3893127	1.19
273.2550354	2.48
277.0907593	0.63
283.4694824	0.72
285.1419983	3.88
287.3407593	3.96
294.8554688	0.27
295.5151978	0.41
297.3215332	1.46
299.3376465	1.75
311.1071167	1.55
313.2518311	3.30
315.2375793	1.01
318.9573975	0.59
321.2908325	1.60
323.3363342	5.04
329.9213867	2.17
337.3526001	1.56
339.2450256	100.00
341.3532104	25.07
343.2874756	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1029.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
288.1495361	0.07
307.1381836	0.10
316.2365417	0.19
451.1574402	0.08
481.2681274	0.08
499.1859741	0.15
510.3391418	0.08
525.7364502	0.24
535.1206055	0.06
545.2386475	0.19
553.1656494	0.36
570.4940186	0.23
571.2929688	0.38
597.5859375	0.29
615.1243896	0.09
616.9437866	0.21
668.9027100	0.18
672.7762451	0.13
675.0408936	0.13
678.2392578	0.07
687.1955566	0.14
699.1060791	0.10
704.2873535	0.29
705.3748779	0.08
714.1160889	0.22
715.2130127	0.13
717.1785889	0.29
728.9886475	0.21
745.4368896	0.11
747.2209473	0.12
758.2937622	0.32
759.1361694	0.63
760.3391724	0.08
761.4632568	0.29
763.1181030	0.29
776.3856201	0.07
777.1975708	1.19
777.9649658	0.04
779.1372070	0.10
787.7086182	0.16
788.6557617	0.37
792.0919189	0.21
804.1790771	0.44
805.2148438	1.03
806.3372803	0.32
820.3748779	0.07
823.1289062	0.16
831.6623535	0.15
867.2945557	0.39
893.4438477	0.10
923.1088867	0.67
939.6021729	0.42
953.2374268	0.05
968.2999268	0.04
970.6604004	0.10
983.1337891	100.00
984.0603027	0.85
985.0914307	1.08
993.4555664	0.27
1005.3254390	0.09
1011.2387700	0.18
1027.8088380	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	235.04
Annotation	Cyclobrassinin
Peak:m/z	Relative Intensity
68.9557037	0.03
72.8063889	0.09
94.9717255	0.08
97.2073212	0.05
108.9574738	0.03
123.0113373	0.02
135.0800018	0.03
136.1846008	0.04
145.0782928	0.13
146.0462799	0.07
146.8353119	0.06
159.0642853	0.03
162.0449371	100.00
164.8849640	0.07
170.7954407	0.07
175.0107269	0.06
177.0134430	0.12
179.0396423	4.64
179.6493988	0.12
187.0155182	25.18
187.7566223	0.03
189.0727997	0.35
191.0432587	0.19
192.1446838	0.04
193.2048187	0.07
194.3400116	0.09
199.0124817	0.12
200.1221771	0.40
202.0790710	0.65
205.2587738	0.18
206.9773865	0.25
214.6040192	0.09
216.3817596	0.37
217.1726074	1.15
218.0812988	0.15
220.2757111	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	753.2241
Annotation	Sibiricose A4
Peak:m/z	Relative Intensity
214.1651154	0.08
215.2212677	0.11
216.1469574	0.02
217.2050018	0.24
219.0109711	0.06
221.0155334	0.11
223.1333008	3.17
224.2663879	0.27
227.0541077	0.01
229.9953156	0.12
231.2166748	0.31
232.1460724	0.43
233.2260895	0.02
234.4944153	0.02
236.9536133	0.03
245.0404053	0.27
246.3818054	0.18
247.1938782	1.98
248.0634766	0.11
257.0993042	0.02
259.2311096	0.22
261.2583008	0.73
262.2912292	0.04
263.2589111	0.03
264.0467529	0.07
265.1284180	0.58
265.9873047	0.15
272.8468628	0.03
274.0617065	0.38
274.9531555	0.09
277.1547546	0.68
278.1737061	0.07
279.2295532	0.02
287.1296082	0.29
288.1155090	0.04
289.1784668	6.16
290.2224426	0.52
291.9597778	0.02
295.0523987	0.05
305.1484680	0.07
306.1329956	0.07
307.1944580	0.18
314.0661011	0.03
323.1176453	0.08
325.3285522	0.14
326.1263428	0.10
331.1384277	0.67
332.1607971	0.10
349.1865845	0.17
350.1315002	0.06
353.3759460	0.01
367.3758545	0.11
385.2125244	0.30
386.5616455	0.02
427.2069702	0.75
428.2641602	0.08
429.3934326	0.02
451.3724976	0.10
453.2680054	0.07
457.1526489	0.54
458.2052002	0.13
469.3315430	0.04
469.9584961	0.02
471.0189209	0.20
487.3449707	0.35
511.3068237	0.68
512.1788940	0.02
515.1998901	0.44
516.6271973	0.14
529.2329712	100.00
530.2927856	16.91
547.0833740	0.35
548.2765503	0.03
587.3683472	0.10
591.5399780	0.02
663.3892212	0.02
675.1577148	0.07
693.0071411	0.20
700.1485596	0.05
708.0617065	0.04
721.2674561	0.03
723.7135620	0.03
725.5325317	0.05
735.2719116	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.03
Annotation	Unknow
Peak:m/z	Relative Intensity
80.9151077	0.25
84.7022858	0.07
90.9309845	0.12
93.3218384	0.06
94.7761688	0.09
96.9795151	0.05
105.0383224	0.09
121.2738571	0.08
129.0648193	0.11
133.0037537	0.29
135.1916199	0.64
137.0945435	0.04
138.7979736	0.07
142.8410492	0.15
149.1592407	0.46
151.1396027	0.37
153.2263489	0.06
155.1213074	0.08
163.1728973	0.09
176.9269409	0.12
191.4266052	0.06
206.9350281	0.14
220.2590637	0.10
221.1926575	0.20
223.5141296	0.13
225.0992737	0.26
230.0731201	0.10
232.2665100	0.15
235.9493103	0.13
237.0849304	0.43
237.7759705	0.03
239.0133057	0.37
241.9722900	100.00
244.7094116	0.03
246.8103638	0.61
247.4934998	0.12
254.1131592	0.17
255.0316772	0.71
259.7839355	22.27
260.4243164	0.03
262.4871521	0.27
264.8258972	3.18
265.4429626	1.96
267.0935974	0.43
269.1904297	0.19
270.8612061	0.19
274.0275574	0.12
275.2437134	0.18
282.6917725	0.37
284.5178223	0.27
287.8662415	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	519.25
Annotation	7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
151.0358582	0.13
160.9611664	0.67
163.9332886	0.05
165.3701324	0.11
166.0861206	0.05
176.1394958	0.02
183.3438263	0.11
188.1161804	0.38
189.1003418	0.06
189.8861694	0.11
194.7838287	0.08
201.1525879	1.52
205.0623779	0.07
207.0905762	0.03
211.9871521	0.19
217.0712891	0.05
219.2414246	0.16
223.4044342	0.15
224.3978271	0.10
226.2064972	0.06
227.0727234	0.22
228.1650085	0.58
232.1745453	0.04
233.0893860	0.23
234.2764130	0.06
238.2876892	0.12
239.9096680	0.09
240.5213776	0.06
244.3276367	0.17
246.2942810	0.37
249.0695496	0.03
250.0832367	0.27
258.3450928	0.19
261.5028992	0.22
262.2832336	0.10
262.9612427	0.06
264.2260742	0.53
267.1111450	0.46
268.1450195	0.11
273.2589722	0.16
274.3872681	0.24
277.4068909	0.11
283.1396484	0.26
284.1231689	0.13
285.2268066	0.28
286.1879272	0.44
291.1807251	0.12
294.1810913	0.16
299.2288513	0.21
301.3716431	0.24
302.4450073	0.03
303.4893188	0.10
305.2308350	0.03
306.1425781	0.12
311.2504272	1.20
312.2371826	0.80
313.3832397	0.16
317.2045898	0.81
317.9770508	0.09
319.3375244	0.08
327.3188477	0.03
327.9613647	0.06
329.3250122	5.39
330.3187866	0.12
334.2805786	0.15
335.2378540	0.04
339.2010498	0.29
340.2592773	0.07
343.2734375	0.03
346.3890381	0.14
347.2984009	0.63
350.6442261	0.13
355.1552124	1.21
357.2149048	100.00
368.7101440	0.05
370.2611084	0.15
373.1768188	14.24
374.4091797	0.37
375.6469727	0.39
381.3085327	0.89
383.2039185	0.05
384.7102661	0.07
389.0775757	0.13
390.4708252	0.21
391.3493652	0.77
392.3415527	0.06
395.3548584	0.50
397.0062866	0.39
397.6539307	0.32
399.3619385	0.10
408.3618164	0.03
409.3890991	0.05
412.6560669	0.03
414.2387695	0.91
419.2230225	0.07
421.2569580	0.06
423.3034058	0.12
424.2019043	0.06
426.8926392	0.05
427.5018311	0.34
429.1497192	0.47
432.9877319	0.40
439.4462891	0.37
440.2852783	0.51
441.2100830	1.03
442.4860840	0.10
447.4864502	0.15
448.5568237	0.18
456.6671753	0.28
457.4771118	3.02
458.3299561	2.67
459.0369873	0.23
461.2091064	0.08
465.3068848	0.11
466.2126465	0.03
472.2770386	0.33
473.3959351	0.13
474.6712646	0.66
475.4691772	2.87
477.4924927	0.08
479.8178101	0.29
481.1310425	1.52
483.2023315	4.24
484.2874146	1.76
485.3714600	0.27
501.3372192	43.47
502.2934570	18.90
503.3184204	0.05
510.0778809	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	728.88
Annotation	Unknow
Peak:m/z	Relative Intensity
229.0845184	0.43
273.0541992	8.69
276.2072754	0.07
301.6517944	0.04
315.6193542	0.04
386.9838867	13.12
387.5973511	0.10
499.4561768	0.36
500.9288940	71.59
501.5969238	0.17
568.8264160	0.05
608.0159302	0.24
608.9852905	0.38
610.0369263	0.24
612.0254517	0.20
613.1404419	0.41
614.9086914	100.00
616.0298462	0.14
625.9552002	0.54
627.0413208	0.31
627.9863281	0.20
631.8651733	0.04
643.1923828	0.16
644.9898682	0.44
653.9559937	1.58
654.9063110	6.34
656.0403442	1.30
672.4226685	1.83
673.1017456	1.45
673.8390503	0.32
675.7886353	0.03
681.9255981	0.54
682.9050903	2.87
683.9863892	0.32
684.8017578	0.13
700.2097778	0.38
701.0764771	0.13
701.9913330	0.29
710.7110596	0.05
712.8115234	0.08
727.8984985	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
127.1416473	0.36
157.1954651	0.34
165.809082	0.36
166.9949036	0.86
169.0232239	0.57
171.4677734	0.67
172.2439117	0.50
184.9588318	0.94
187.0693512	0.87
201.2199097	0.67
203.2877808	0.51
206.9176025	0.23
211.3868408	0.42
212.2812042	0.51
213.2586975	0.46
215.1547852	3.07
216.8835449	0.58
229.2389832	1.12
239.1899109	1.15
242.3212891	0.82
243.2676392	2.04
244.9775696	0.73
255.4179077	0.92
256.9956665	0.93
261.0151367	0.37
263.2598267	3.28
265.2932739	0.22
269.0456543	0.37
271.3010254	0.17
273.2041321	1.40
285.329834	3.54
287.4528503	0.72
289.1079712	2.02
295.2887573	4.23
297.3027344	1.92
299.290863	1.48
311.2084961	9.23
313.1838074	4.78
315.478302	0.44
319.0396729	0.41
321.3674622	4.65
322.0826721	0.36
323.4343567	6.03
325.4842224	2.47
327.2822876	1.53
329.2009888	2.56
337.2710266	0.40
339.2414551	100.00
341.3755798	16.93
359.9707031	1.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.8
Annotation	Unknow
Peak:m/z	Relative Intensity
153.5213776	0.05
154.2651978	0.09
158.8924713	0.09
174.0745697	0.08
175.0962524	0.02
213.2375946	0.07
218.8593903	0.13
273.0021362	0.15
273.9381409	0.14
275.2279663	0.05
302.9351807	100.00
341.1946716	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	337.1383
Annotation	Melicarpine
Peak:m/z	Relative Intensity
100.8408890	0.04
111.7973862	0.10
117.1025085	0.40
130.0498047	2.60
132.2420349	0.52
137.1575775	0.06
155.9330902	0.07
160.9368591	0.20
170.2073364	0.14
199.1640320	0.17
204.9172974	0.32
223.1506042	0.20
227.3307800	0.25
235.0855103	0.07
237.2165527	0.09
241.4106140	0.05
249.3335876	0.13
250.1095886	0.23
257.1140137	0.18
263.1512451	0.10
265.1832886	0.14
267.4650879	0.10
270.2326660	0.20
272.9332886	0.08
275.0311584	0.04
276.2303772	0.15
282.7975464	0.16
291.1317749	0.31
293.9401855	0.14
296.0710144	0.15
300.9235840	0.15
306.0075378	100.00
309.4089355	0.05
310.2905884	0.13
319.2460022	1.63
320.2076721	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	351.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9639587	0.18
128.1724243	0.07
145.0939331	0.30
203.0455475	0.12
204.9402313	0.07
207.1549835	0.06
209.1205139	0.14
218.9159851	0.09
224.4641724	0.05
237.1702271	0.10
243.9222107	0.09
251.3230896	0.06
254.2077942	0.16
256.0930176	0.25
257.0743713	0.13
260.8989563	0.08
263.3919983	0.52
264.4606934	0.08
271.9904480	0.47
273.3762817	0.44
275.1100464	0.16
279.0085754	0.30
280.6484375	0.21
289.2167358	3.94
290.3163452	0.42
291.0013123	0.16
292.9938354	0.09
297.2202148	0.12
305.1206360	1.67
307.2063904	100.00
308.1215210	0.15
309.0113220	0.14
312.8069458	0.35
314.0657959	2.36
315.0114746	2.27
316.0601196	2.31
321.2673950	0.04
331.2170105	0.25
333.1563110	2.18
333.9894714	0.65
335.0215454	0.04
338.7313232	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	919.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
259.0746155	2.50
260.3274841	0.10
265.2701721	1.58
274.3367004	0.20
275.0932922	0.15
277.2168579	0.78
285.1088562	0.08
289.1030273	4.08
290.3845520	0.21
294.7560425	0.40
295.6347046	0.29
296.2353210	0.17
298.1075134	0.20
301.2926941	1.21
304.9777527	1.56
309.3724976	0.13
323.0688477	3.02
324.2678223	0.79
325.2601013	0.82
326.3676147	0.34
327.2101746	0.34
328.0387878	0.32
331.3510742	0.74
339.4823608	0.37
341.1199036	10.06
342.0472412	1.00
342.7616272	0.15
345.3527527	0.33
353.1117859	0.45
355.3860779	0.92
357.5550537	0.14
367.2337646	0.88
368.2210083	0.17
371.3075562	1.66
372.3709717	1.13
375.1051636	0.14
377.0767212	0.48
383.1683960	3.22
384.2839355	0.11
385.1917114	1.78
386.2467041	0.09
389.1596069	10.36
390.1931152	1.50
394.2811890	0.21
395.1792603	0.30
397.3837280	0.65
399.8007812	0.13
409.0007324	0.38
413.2443237	0.69
427.1710815	5.48
430.3568726	0.32
431.0880737	3.14
432.2410889	0.43
443.0490112	1.17
453.1279907	0.32
457.2936401	2.46
461.3345337	2.04
462.1839600	0.36
469.2202148	0.54
473.1060791	1.09
474.0137939	0.23
478.9922485	0.45
481.3367920	1.82
482.3702393	0.65
485.0978394	0.88
486.7122192	1.33
487.4013672	1.03
488.2760620	0.45
491.0620117	0.72
499.2451172	100.00
500.2897339	18.12
511.3271484	0.29
515.1389771	0.47
517.1470947	1.54
517.9354858	0.14
519.3736572	0.20
529.3112793	7.42
530.3552856	1.35
537.0611572	0.97
541.8755493	0.67
551.0193481	2.26
552.0415039	0.30
553.4527588	0.12
575.2803955	0.09
593.1026001	1.86
595.2842407	1.13
596.2200317	0.87
621.5618286	0.36
623.1603394	1.27
631.3657837	0.51
635.2714844	1.10
636.3255005	1.16
641.3236694	0.22
647.2385254	1.61
653.0857544	11.19
654.1471558	1.19
664.2702026	0.18
667.7208252	0.31
677.2924194	1.13
678.1509399	0.57
681.3885498	0.22
687.0902710	0.20
695.1951904	38.65
696.3440552	13.24
697.2365112	0.29
706.2391357	0.34
709.3217163	0.30
713.1333008	5.87
714.0878296	2.04
717.1917114	2.07
721.3821411	0.18
723.1316528	66.68
724.1138306	15.52
724.7283325	0.33
737.2222900	0.21
747.1439209	0.13
757.0108032	0.53
758.2821045	0.31
777.0741577	1.37
778.2125854	0.21
790.1900024	0.31
800.3825684	0.27
841.3485718	0.35
859.2725220	3.94
860.1785278	3.40
871.3224487	2.12
872.3684692	0.57
875.3898926	0.53
883.0664673	0.12
901.1827393	12.09
902.1530762	4.23
904.2877808	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.283
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
141.194046	6.15
149.0247803	100.00
149.8968048	43.67
158.9184113	4.88
166.1794739	2.91
167.0411377	27.01
167.9589844	15.07
184.503952	1.36
196.1427765	3.19
212.618927	2.28
213.3619385	1.43
216.9051208	1.30
218.2450562	1.02
230.2123108	3.03
230.8660889	1.71
251.2317505	4.57
251.8398132	2.31
258.0281067	0.93
260.4338074	19.53
261.0926208	5.59
261.7142029	20.56
269.1868896	2.53
278.9957275	13.49
279.918457	55.93
282.1564331	1.49
291.3856812	3.54
302.1413574	11.43
312.2418823	8.88
317.3894958	1.57
327.985199	2.91
329.1734924	4.69
331.9847412	2.25
333.0007019	2.01
334.3953247	1.21
341.2828064	7.51
344.2794495	3.10
346.9242554	6.60
356.9541321	4.35
369.1870422	2.97
370.8018799	3.40
374.1182556	39.63
375.0863953	9.09
382.8562622	5.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	455.1129
Annotation	Mulberrofuran R
Peak:m/z	Relative Intensity
144.0404663	0.07
146.1369324	0.14
166.2387695	0.10
172.0988007	0.74
189.9663391	0.06
195.3045654	0.05
207.2603455	0.05
215.0767212	21.69
217.4223022	0.16
228.4313354	0.07
231.0233307	0.11
241.1276703	1.12
241.9478149	0.26
244.0475464	0.05
259.1471863	1.98
261.1053162	1.08
268.3106689	0.06
273.1993408	0.05
275.1109009	0.24
293.1008301	3.59
301.0111694	0.13
307.0783386	0.12
321.1910706	0.20
326.2069702	0.30
334.1033630	1.71
339.5617676	1.07
340.4117126	0.19
349.1358337	0.11
352.2650146	0.67
360.2839966	0.07
361.0421753	0.08
367.2119141	0.56
368.2492676	0.36
377.2439270	30.65
378.9787903	0.03
391.1952209	0.09
397.1164856	0.14
403.1706238	1.03
411.3815002	0.26
421.1925659	100.00
436.3652039	0.47
437.2500916	0.41
450.6755066	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	291.1292
Annotation	N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine
Peak:m/z	Relative Intensity
97.0324631	0.24
112.1493988	0.36
112.9478912	0.22
114.2042999	0.19
115.2090759	0.36
115.9725113	1.02
118.0959167	0.14
128.9297485	0.09
130.0065002	0.95
130.9696045	0.18
134.1275330	0.22
139.2011566	0.10
144.0022888	0.06
146.9688721	0.16
154.8324280	0.09
155.9018555	0.03
156.9610443	2.45
157.9644165	2.18
161.2249451	0.08
162.1614532	0.13
175.0502625	100.00
182.9968262	0.19
193.0372772	1.08
194.0178680	0.11
196.8541260	0.14
200.5406494	0.38
210.0145264	0.15
213.0472717	1.11
214.2263489	0.16
216.0151672	0.36
218.3013611	0.04
219.1708374	0.02
226.1316833	0.23
226.9646606	0.07
231.1339722	2.33
232.0075073	1.15
237.9860229	2.38
242.2209778	0.11
245.3055725	0.18
249.3271790	0.37
256.1139221	5.21
257.3338013	0.26
261.1868286	0.05
268.7327881	0.54
273.2332458	4.59
274.1693726	4.02
281.9026184	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	380.76
Annotation	Unknow
Peak:m/z	Relative Intensity
212.8826141	1.12
215.0343170	0.03
225.0228577	0.05
262.2448730	0.02
279.0960693	0.09
290.1696167	0.15
291.2809448	0.07
294.8501892	0.04
296.7666931	100.00
334.3366699	0.08
335.0109863	0.08
335.7978516	0.05
362.1050720	13.20
363.0624695	2.58
364.0511169	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
141.5235291	0.64
143.1195221	0.98
159.2288666	1.06
165.0210266	0.49
183.855896	0.49
185.7234497	0.30
198.9940796	0.65
201.1486816	2.94
213.3594666	0.52
215.310791	0.87
225.9255066	1.37
229.1726379	1.24
230.9881592	0.65
241.1274109	1.64
255.3346863	1.99
256.1764526	2.28
257.1192627	1.69
257.8656616	0.46
259.1610718	0.83
263.4715576	0.36
265.3769836	0.84
268.9667969	0.69
271.2754517	1.37
272.6829834	2.81
273.4728394	0.54
277.4455261	0.76
283.3253174	0.39
285.2701416	4.06
287.4159241	0.54
295.1965332	7.24
297.3348694	2.86
299.2858887	1.37
303.2937927	0.78
311.0262451	9.94
313.3126221	5.52
314.0845337	1.19
315.2993164	1.76
316.4898071	0.72
319.3102722	0.86
320.4564514	1.61
321.2445984	4.57
323.1669006	9.54
325.5385132	0.40
327.3297729	0.57
339.2548523	100.00
339.9808044	0.54
341.1618042	12.71
356.1605225	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
127.9480743	0.12
128.9590454	0.68
154.9274139	0.15
160.9882812	0.09
163.0275421	0.16
172.8961182	1.43
175.0632935	0.10
180.0374451	0.14
185.1445312	0.18
190.9705505	100.00
202.1237488	0.32
213.0372009	0.16
226.1578979	0.67
238.3430786	0.08
241.1205139	0.07
255.1167297	0.28
257.1636658	0.10
266.1610107	0.34
272.9026794	1.35
288.9477539	0.12
298.9432983	1.59
306.1596680	0.39
316.9987793	6.57
320.4874878	0.18
333.2155457	0.34
340.0822754	0.33
342.4384155	0.09
348.1571960	0.30
349.3187561	0.31
356.2845154	0.11
357.2420959	0.35
359.0279541	2.08
360.3431702	0.18
360.9760132	0.07
376.1580505	0.10
377.3174744	0.53
378.0135803	0.04
384.7309265	0.35
385.4118958	0.20
390.8927002	0.43
402.1622009	0.78
403.0497131	14.29
404.0703430	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	474.2621
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
140.0400543	0.05
152.8355560	0.35
163.4547424	0.02
166.0441742	0.02
179.0359955	0.01
185.2858887	0.07
191.0719757	0.07
196.0474243	1.88
214.0882111	1.42
223.2422180	0.07
233.2444153	0.76
242.8600159	0.06
247.4306946	0.03
257.0208435	0.06
259.3123779	0.16
260.0967102	0.03
275.2714844	0.32
277.2608032	100.00
335.8987732	0.03
413.3338928	0.17
414.4780884	0.05
420.1072083	0.03
429.2289124	0.11
430.4316101	0.16
436.4096375	0.03
438.4208984	0.02
456.1615295	0.14
457.0364685	0.05
469.3491821	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	438.9795
Annotation	Unknow
Peak:m/z	Relative Intensity
162.1972656	0.09
171.1926575	0.02
172.9685364	0.02
176.8075256	0.01
179.0488586	0.02
180.9825592	0.01
182.0125275	0.03
188.0390320	0.04
198.8514252	0.02
200.8952637	0.10
202.1134796	0.09
202.7644653	0.01
212.0923157	0.03
213.2504578	0.05
215.0372467	0.02
219.0866699	0.36
220.0957184	0.02
227.0302124	0.25
229.0687256	0.03
237.0757904	0.57
238.0349121	0.03
240.2304688	0.04
243.0159302	0.26
244.2462769	0.02
245.2032166	0.15
246.8689880	0.01
251.0823975	0.17
255.2822571	0.03
256.8682556	0.07
258.2864380	0.02
259.2509460	0.09
260.2647705	0.09
263.0994263	0.01
271.0232544	0.92
273.1587830	0.54
274.1662598	0.05
276.0498962	0.17
277.1208801	0.09
280.1148071	0.04
284.3013306	0.05
285.0485229	0.03
286.8619080	0.14
289.1384277	0.02
291.0562439	0.98
292.1463318	0.17
293.4139709	0.01
305.0161743	2.52
307.1725464	0.48
309.1854248	0.28
309.9644165	0.02
314.9120178	1.43
316.8736572	0.06
321.0736084	0.03
323.1645203	0.04
331.8183594	0.19
333.0130615	6.47
335.1464844	1.73
339.1455078	0.06
340.5146179	0.05
342.4509888	0.03
345.1250916	0.14
346.1388550	0.03
347.9706421	0.09
349.0668945	0.83
350.3923950	0.02
353.0834961	0.03
358.1038818	0.17
359.1289673	0.87
360.1517944	0.04
361.1587524	0.02
363.2405701	0.36
367.5544739	0.05
374.8079834	0.21
375.6033020	0.01
376.9270325	5.14
377.5522766	0.02
379.0174866	0.21
393.9874573	11.05
395.0976868	5.83
403.0725708	9.48
420.9441223	100.00
421.5853577	0.12
422.4242859	0.07
429.8113098	0.13
443.2629089	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	449.07
Annotation	Glucobrassicin
Peak:m/z	Relative Intensity
133.3065948	0.04
172.9625702	0.11
184.9229126	0.17
188.1856384	0.10
198.8638000	0.05
200.0753784	0.06
202.1551208	0.47
203.1791534	0.13
205.1343994	0.12
207.1097717	1.47
216.2132263	0.77
217.0678406	0.11
230.1905060	1.28
231.0379639	0.57
233.2115936	0.33
234.1214600	0.12
239.4555359	0.21
241.1956482	0.10
241.8585815	0.09
245.0160828	0.03
247.1955261	0.29
249.3335571	0.14
255.7041016	0.06
259.1383057	100.00
260.1926270	15.07
262.1403809	0.07
274.2200012	0.06
275.4773865	0.13
277.2588806	9.99
278.2335815	1.63
284.1267395	57.86
285.2755737	11.05
287.3080139	0.21
301.1635742	82.92
302.1574402	27.49
303.2537842	1.73
304.2698669	0.23
306.5240784	0.08
313.3048096	0.04
315.2122803	0.10
316.4547424	0.11
319.1846924	42.88
320.2470398	5.87
325.3481140	0.23
325.9823608	0.26
327.4842529	0.22
329.4281311	0.12
334.2490234	0.26
341.4162292	0.16
345.4140625	0.34
357.1882629	0.33
358.1541138	0.03
358.9476624	0.08
360.3014526	0.15
362.5537720	0.30
363.3155212	1.59
364.4181824	0.58
366.8874512	0.23
367.8749084	0.41
368.7862244	1.84
369.4690857	0.23
373.4458008	0.09
385.1101685	2.41
386.4221802	0.67
387.6713867	0.77
388.2829895	11.89
389.2325439	3.22
402.3230591	6.30
403.2973938	0.89
404.4423828	0.67
406.2546692	64.77
407.2373047	14.87
408.0713196	0.43
413.1384583	7.86
414.2311096	1.10
415.2369690	0.05
425.2591553	0.15
427.6365051	0.34
430.2587585	72.41
431.2267151	36.44
432.2768860	5.18
440.0009766	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	658.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
185.9260712	0.03
204.0089874	0.25
209.9909515	0.02
214.0320892	0.01
217.9150085	0.12
219.9904785	0.20
220.9591064	0.01
227.9341736	0.02
232.0469360	0.05
232.7042542	0.03
235.1030884	0.11
236.0162659	0.16
237.8896790	0.06
241.8511047	0.04
242.9708557	0.05
245.0899506	0.41
245.9635315	0.28
253.1331177	0.08
254.9267883	0.03
255.6715088	0.02
258.0651245	0.42
259.0901489	0.07
261.0918579	0.33
262.0035400	0.67
274.0381470	0.25
274.9321899	0.41
275.8150330	0.32
276.9318237	0.02
278.1557312	0.06
279.1377563	0.05
281.0354614	0.04
281.8075562	0.01
283.9197388	2.34
285.1938477	0.02
287.9426575	0.24
289.7138977	0.14
290.9251709	0.01
292.0038757	0.10
296.0380249	0.03
296.8878479	0.02
301.9532471	0.03
304.0228271	0.21
306.0166626	0.39
307.0661621	0.11
308.1218262	0.22
309.1754761	0.21
310.3529053	0.05
310.9778442	0.05
313.0693970	0.08
315.0600586	0.46
315.9791870	2.35
316.8869019	0.12
317.9830627	0.08
318.7709961	0.02
320.0608826	0.38
324.9966431	0.09
325.9057617	0.02
329.0293579	0.04
331.1920776	0.07
332.9758301	1.73
333.5759277	0.01
337.8212891	0.23
338.8674316	0.16
344.1313477	0.06
345.1094971	0.02
346.0646362	0.18
347.0997925	0.83
348.1511841	0.32
349.1366577	0.02
350.9169922	0.08
355.1429443	0.18
361.8722534	0.07
362.8774414	0.09
365.0375977	2.55
365.9878540	0.30
366.9830322	0.02
369.0756836	0.05
371.7340698	0.02
374.9955444	0.06
379.9603882	3.04
381.0122681	2.08
382.1246338	0.70
386.9575806	0.56
387.8053589	0.04
395.4403687	0.14
397.0867920	2.45
398.0139160	4.29
398.9572144	0.94
400.0407104	0.01
404.0487061	0.28
404.9346313	0.20
405.9163208	0.05
408.9047241	0.01
411.2285156	0.04
414.9802856	3.12
416.0260010	1.66
426.4633789	0.03
427.6290894	0.03
428.9302979	0.35
434.9426270	0.02
435.9588623	0.45
437.1754150	0.07
445.0520630	0.19
446.0826416	0.12
446.9830322	0.17
448.0556641	0.42
451.9642334	0.06
457.0963135	0.08
462.8463135	2.02
463.9719849	1.69
467.1276855	0.09
468.7849121	0.22
476.2633057	0.81
477.8311768	100.00
478.7827148	1.24
479.8253174	0.11
480.9039307	0.02
486.7932129	0.16
490.7355347	0.01
493.0578003	0.02
494.8991699	2.39
496.0107422	3.43
500.3811646	0.06
509.3082886	0.12
517.6215210	0.02
527.0181885	4.98
529.3288574	0.08
536.4619751	0.06
538.1249390	0.05
540.3923950	0.05
544.0194702	0.03
548.2289429	0.54
548.9098511	1.52
549.7957764	0.39
558.9860840	0.60
560.0876465	0.23
561.8511963	0.05
564.6890869	0.03
565.9713135	0.11
567.0342407	0.38
567.7276611	0.39
576.9165039	1.21
578.0698853	0.62
578.8995361	0.07
597.7897949	2.83
598.8850708	0.74
608.6542969	0.06
609.3926392	0.06
611.9552002	0.02
620.6614990	0.13
624.9067993	0.03
637.1350708	0.04
638.8917847	2.79
639.9415894	0.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0874
Annotation	Scopolin
Peak:m/z	Relative Intensity
107.0339355	0.12
110.9540405	0.09
127.0384445	0.26
134.4009399	1.09
135.0684814	5.93
155.1119080	0.41
160.9563293	0.87
173.0418091	3.39
173.9720917	0.05
179.0347290	45.16
188.6049957	0.10
191.0747070	100.00
192.0905609	0.07
217.1987610	0.03
233.1999207	0.14
275.1489868	0.38
307.3568726	0.07
309.1853638	0.20
334.3284912	0.07
335.1870422	0.23
337.2936096	0.19
338.3500671	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	339.1064
Annotation	1-Caffeoyl-4-deoxyquinic acid
Peak:m/z	Relative Intensity
118.9970474	2.63
146.9974060	100.00
147.9061890	0.03
164.0280914	0.19
176.1383057	0.05
176.9930420	0.29
199.2765045	0.17
209.7125854	0.09
237.6614990	0.04
241.4192505	0.10
264.0733337	0.14
267.4191284	0.05
271.1716919	0.13
275.0857239	0.13
279.0050049	0.05
285.1625366	0.18
289.2393799	0.14
292.4376221	0.08
294.4895630	0.12
296.3880310	0.10
298.0991821	0.04
302.3082275	0.07
303.0562439	0.04
310.6973267	0.38
316.0965576	0.25
320.0970459	0.31
321.2404785	2.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	513.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
150.7131958	0.14
164.0812378	0.05
172.2908325	0.10
173.1033020	0.13
178.1928864	0.12
182.0942993	0.07
187.1025391	0.30
188.1295166	0.08
193.2279663	0.07
202.5951233	0.10
217.9398041	0.24
221.9921875	0.11
236.8992004	0.03
243.2550659	0.04
251.1528015	0.13
254.1843414	0.05
258.9072266	0.08
263.2127686	0.03
270.9088440	0.31
272.1531372	0.74
273.6141968	0.25
274.4273071	0.08
275.4071655	0.03
287.0770264	0.26
288.2458191	0.92
289.2056274	19.96
290.1362305	0.05
296.8703613	0.13
300.0944824	0.07
304.0769653	0.40
304.8161011	0.12
306.1138306	0.64
307.2009888	52.60
308.1184082	0.07
312.8342285	0.09
313.5490112	0.16
315.3135986	1.54
319.0788574	0.07
333.2564697	18.51
341.5050659	0.20
351.2171631	100.00
357.0499268	0.07
365.4744873	0.09
371.5887451	0.11
373.3560791	0.03
375.1914062	0.81
377.9966431	0.12
379.1419067	0.09
383.1903687	0.20
384.2785034	0.05
387.1918945	0.18
393.1943970	1.99
405.2706909	0.72
417.1703491	0.46
423.2335205	2.39
430.9119263	0.09
433.0028687	0.05
437.0649414	0.28
439.2294312	0.11
447.0062866	0.18
452.9863892	1.19
460.4282837	0.03
467.0142822	0.41
468.8857422	0.66
473.1646118	0.03
475.1306152	1.10
476.1758423	0.19
477.0961914	1.57
478.3436890	0.36
485.9992065	0.07
493.8998413	0.50
495.1682739	0.47
511.2070923	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	618.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
232.1128387	5.35
253.1363220	0.09
335.4024658	0.07
345.2126465	0.23
372.7864990	0.04
375.3900146	0.09
403.2950439	0.20
405.0582886	0.30
421.0681763	0.02
422.5427856	0.04
425.0869751	100.00
440.8267822	0.04
443.2892456	0.05
444.2063599	0.95
445.0901489	0.10
448.0693359	0.06
449.3220215	0.19
450.2699585	0.25
453.9667969	0.08
462.9996948	3.35
483.4628906	0.09
500.0733032	0.10
531.8709106	0.02
533.1365356	0.09
533.9492798	0.09
536.1912231	0.04
549.9117432	0.12
557.8738403	0.14
571.3311157	0.33
572.1306763	0.31
574.3383789	0.21
598.4651489	0.13
600.1779785	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0711
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
105.0634613	0.87
145.9753571	0.39
165.1459808	0.55
179.4158173	0.60
180.3150177	0.34
181.0128632	0.64
183.2253571	0.29
193.0176544	0.75
195.2852783	0.94
206.4401093	1.14
207.0529327	4.01
208.1948853	6.44
208.8852234	1.30
222.0807953	3.61
223.0344086	9.68
251.0654449	100.00
252.1635284	13.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	561.2153
Annotation	ES-242-5
Peak:m/z	Relative Intensity
199.2316437	0.17
218.8757019	0.31
241.0450134	0.30
271.5205078	0.23
300.0230103	0.26
315.1393433	0.58
325.1243286	0.08
352.3485718	0.17
368.8290405	0.31
377.1901245	1.14
379.3508301	0.31
391.0770874	0.21
398.9640503	0.64
407.2469482	0.08
415.2813110	100.00
425.0744019	3.35
425.7197876	0.38
428.0910034	0.42
463.2051392	25.71
470.2305908	0.09
487.1713867	0.24
514.8987427	0.56
542.3549194	0.19
543.0374146	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	519.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
238.3778687	0.03
266.2618408	0.34
267.1043091	0.12
272.7331543	0.09
274.1857605	0.06
282.2918701	0.20
285.8765259	0.06
298.2680664	0.03
310.9306030	0.19
312.3054810	0.04
321.2805176	0.16
335.9346924	0.11
337.1232910	0.04
340.3159790	0.10
346.3171997	0.04
352.1796875	0.17
355.1084595	0.52
356.0360107	0.78
356.9987183	0.30
362.2962646	0.26
364.0755615	5.74
365.1452637	100.00
371.6156006	0.10
373.1408081	0.56
374.0043945	0.79
405.4064331	0.07
411.1104736	0.12
446.5643311	0.30
457.3753662	0.07
460.3554688	0.23
473.9879150	0.07
475.3678589	0.13
478.2819214	0.10
484.4116211	0.11
498.1411743	0.26
501.2852173	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	242
Annotation	Unknow
Peak:m/z	Relative Intensity
84.6862030	1.29
93.7582016	0.43
127.9926910	0.31
156.9715576	0.56
171.9103851	0.52
182.9305573	100.00
184.0922394	0.33
195.9993591	56.85
197.8705292	0.94
198.5915985	0.61
200.7853699	43.30
211.4350128	0.47
213.9980621	14.58
215.5041656	0.16
217.6952362	0.44
218.8612213	1.86
220.8587952	1.31
223.8375092	55.48
224.4792023	0.78
232.0100861	0.74
241.8829346	7.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	617.2618
Annotation	APC
Peak:m/z	Relative Intensity
205.0668793	0.07
212.9994507	0.03
253.6570435	0.04
272.1096802	0.02
286.1801147	0.05
287.2059021	0.03
304.2185059	0.05
383.4997559	0.05
387.3323975	0.07
389.2997437	0.06
425.2194824	0.03
447.3675537	0.07
450.3287964	0.68
451.1363525	0.04
453.0106201	0.02
521.0888672	0.05
531.4010620	0.14
543.4129028	0.05
545.4525757	0.02
554.3183594	0.03
555.4359131	0.21
556.3312378	0.05
557.4164429	0.03
571.1893921	0.20
573.4364624	100.00
575.5657959	0.07
581.3565674	0.07
585.3906860	0.06
598.7277222	0.24
599.3481445	1.39
600.1027832	0.02
601.0546265	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	427.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9900055	4.20
133.2314301	0.10
139.9915466	0.22
140.9823303	1.55
142.8754120	0.57
155.1970825	0.33
155.9847412	0.89
157.0842133	0.48
157.9808655	0.03
158.9634857	4.22
160.9091949	0.16
166.0141144	0.09
168.2459412	0.43
169.2204437	0.18
177.2190704	0.24
179.0196838	6.16
184.1009064	0.16
185.0278473	0.72
187.0147705	0.28
191.3141022	0.34
195.9637451	0.16
198.9938049	0.18
199.8951111	0.15
202.9424133	0.35
209.0511475	100.00
210.1127319	0.56
216.1040344	0.32
217.1349640	2.63
229.1102905	0.59
231.0836487	0.32
234.3289185	2.14
235.1532288	8.99
238.2139282	0.12
248.1160278	3.79
249.1729126	10.42
254.1635132	0.12
262.0810242	0.31
263.2350769	0.23
271.0966492	0.32
272.3438110	0.06
279.2204590	0.07
280.0362549	0.27
281.2566833	0.08
291.1763611	0.15
293.6702576	0.43
294.2797241	0.12
296.1448364	0.30
298.0267334	0.07
301.0092773	0.13
305.1647644	0.13
306.2810669	0.10
307.2728271	0.32
309.2794800	0.32
310.1463623	0.07
311.0208740	0.64
315.0859375	0.31
322.3682556	0.25
324.2251587	0.17
326.1154480	1.96
329.0023499	0.94
332.2891235	1.37
333.1521606	4.63
335.2510376	0.14
336.8874207	0.14
339.1156006	0.35
340.0431519	0.16
340.9625549	0.11
347.0527344	0.25
349.1908569	0.16
350.3008423	0.60
351.1627808	1.42
358.3739624	0.09
360.0831909	1.47
361.1611023	1.69
362.0374451	1.20
363.1604919	1.58
364.3051147	0.39
365.2853088	0.38
367.2116394	0.06
377.1759338	0.43
381.7379456	0.24
383.1445312	0.30
384.1371155	0.08
391.2160339	0.14
394.1409302	0.11
395.1808777	0.68
408.1105347	0.50
409.1853943	5.81
412.0122986	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	358.027
Annotation	Sinigrin
Peak:m/z	Relative Intensity
105.6775436	0.27
113.1294632	0.38
115.9454651	2.10
118.9197464	3.44
126.9304962	0.31
133.0386658	1.09
134.9838257	6.60
144.9584656	1.69
161.9900208	34.68
163.0545502	5.62
164.9961243	0.63
166.8777771	1.90
177.5679321	0.44
180.0037537	10.37
192.1759644	0.27
193.4416809	0.56
195.0301971	7.57
196.0534210	1.48
204.9007874	0.54
224.0575562	0.30
227.0476990	5.50
228.9967346	0.52
239.1710815	0.24
240.9880981	5.70
259.0100098	100.00
260.0947571	0.89
273.9446716	2.07
275.0877075	25.75
276.1535339	1.62
277.4830322	0.42
278.1300659	5.07
279.0744629	0.48
291.1234741	0.51
311.1833496	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.2782
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
139.9651489	0.38
153.0899048	0.52
154.0957642	0.09
164.7136536	0.09
166.0919342	0.16
183.8614502	0.20
184.8002930	0.04
194.1483459	0.06
196.2955933	0.07
214.1265259	2.90
222.0583801	0.09
222.8459473	0.08
225.0784912	0.07
255.2599487	100.00
283.5007935	0.21
284.2935181	0.43
307.4283447	0.21
324.0715027	0.05
349.4326172	0.05
362.6045227	0.04
366.1826782	0.56
367.7520447	0.24
374.0819397	0.13
379.1998901	0.25
381.2205200	0.10
383.7981873	0.08
398.3639221	0.25
403.2062073	0.35
406.1122742	0.07
407.5116882	0.11
409.0462952	0.12
414.2920227	0.69
416.7584839	0.82
432.2506714	0.24
433.7165833	1.58
434.3258057	0.69
435.0826721	0.73
437.0180969	0.15
438.3724365	0.08
443.5735474	0.09
447.1263733	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	368.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
131.9848022	0.07
182.0516052	0.41
190.0278931	0.09
193.0006104	0.06
206.9407654	1.58
219.0616455	0.17
234.9361267	0.48
237.1471558	0.29
239.1506958	0.16
244.9535828	0.12
248.9061890	28.39
249.5377502	0.18
253.1511536	0.17
260.9309082	19.38
264.0126343	0.22
266.9822388	0.33
272.9167480	0.59
276.9334106	0.08
278.8444824	100.00
280.9582214	0.36
282.7406616	0.16
284.9235229	0.08
287.4320068	0.37
291.1276245	1.86
301.0942993	0.07
306.2739868	0.17
307.3558044	0.47
308.9898682	46.03
322.9509583	1.32
324.9237061	6.60
327.1832275	0.98
327.9371338	0.22
332.9054871	1.31
337.0204773	0.09
339.1142578	1.18
340.1014404	0.16
347.0510254	0.17
348.2505188	0.07
349.5409241	0.42
350.2953186	0.85
351.0547791	10.27
352.1732483	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	150.02
Annotation	S-Methyl-L-cysteine sulfoxide
Peak:m/z	Relative Intensity
62.9266548	100.00
63.9280739	0.30
64.9369354	0.24
73.0587158	0.10
76.8521957	0.35
77.9379425	0.11
79.6759110	0.19
85.9458160	15.00
104.2483673	0.07
105.6578979	0.42
131.9356689	0.40
132.8906250	16.60
133.4995117	0.18
134.9041290	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	377.1064
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
145.2031860	0.06
146.0727386	0.06
202.0941315	0.08
222.1245422	0.79
225.7013855	0.07
229.6909180	0.17
231.0556030	0.09
245.9908447	0.06
259.8703308	0.08
262.3175659	0.15
279.0578003	0.14
299.3114014	0.09
302.1557312	0.19
311.3367920	0.24
313.2061462	0.13
314.2604980	0.36
315.0319214	0.12
316.7229004	0.08
329.9816284	0.05
331.2393799	100.00
332.3028564	0.17
333.1682129	0.28
357.2320862	0.07
358.3225403	0.37
359.0745544	0.49
360.3283691	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	401.1088
Annotation	10-Dehydrogardenoside
Peak:m/z	Relative Intensity
112.9054947	0.26
114.9521255	0.06
129.2155151	0.15
133.0309906	0.11
151.0233765	2.37
157.1029968	0.11
175.0432434	0.42
180.8127747	0.09
187.2562103	0.02
194.2171326	0.02
194.8839111	0.07
205.0678406	0.22
208.4622498	0.04
209.0816650	0.06
223.1987762	0.05
225.1908112	0.33
227.1530457	0.05
231.0643311	0.48
233.0411072	0.06
234.8357239	0.09
239.1686707	0.22
249.0552063	21.14
267.0776367	100.00
268.2161255	0.54
309.3866577	0.25
329.3148499	0.16
337.2540283	0.07
341.1438904	0.96
354.1278687	0.05
355.2604675	0.05
356.8609314	0.09
361.0163269	0.23
362.1148987	0.10
365.4035950	0.08
368.8980408	0.18
383.2116089	4.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	322.08
Annotation	Beta-Citryl-L-glutamic acid
Peak:m/z	Relative Intensity
105.7853546	0.18
114.1436768	0.46
115.9928131	0.68
129.9924622	35.00
132.0878906	0.89
133.8578339	0.20
147.0897217	0.52
148.1272583	0.12
149.1782379	0.16
159.9777832	0.15
161.1187439	0.18
162.0257874	1.45
162.9571228	0.16
164.1453552	0.21
174.0541534	3.11
175.0961609	1.02
175.9522705	43.50
179.1827393	3.65
180.1571655	1.33
180.9755249	4.77
184.0805664	0.21
188.8413696	1.56
190.0955811	1.13
191.0274353	2.00
192.3875732	7.89
193.0630493	100.00
196.0072479	0.22
198.0469055	0.08
201.0836182	0.70
215.9695740	0.36
218.1962280	0.59
227.3370972	0.12
228.9787292	0.44
231.2224121	0.14
233.0574646	1.79
242.2522583	0.11
243.1017761	0.48
247.0238953	5.72
247.8485718	0.14
249.1592407	0.19
250.2482300	0.14
257.1230469	1.26
258.1232300	1.98
259.3219299	0.06
260.2779846	1.52
261.0958862	0.51
262.2323914	0.35
263.2734680	0.40
264.2931519	0.19
265.6768494	0.47
266.4342346	0.71
275.4154663	0.62
276.1346741	1.03
278.0503540	0.60
280.9917603	0.39
286.1463928	2.36
291.1341248	2.42
292.1863403	0.32
303.1880493	4.11
304.1193542	9.15
305.2595215	0.66
312.6295776	2.61
313.2962341	0.93
313.9859314	0.52
315.2385254	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	607.3727
Annotation	Lanceolitol B6
Peak:m/z	Relative Intensity
214.0527191	0.04
243.3080902	0.03
259.0774536	0.54
260.2205200	0.03
261.0869446	0.15
277.1962280	0.06
281.1042786	0.07
298.1407166	0.02
305.2974548	0.01
315.2464600	40.51
316.1232300	0.02
333.3390503	0.09
359.2815552	0.03
360.3400879	0.17
361.4081421	1.12
390.2258911	0.21
391.2269287	0.24
415.2768555	0.06
429.7479248	0.02
445.2092285	0.14
459.4314575	0.06
461.2303467	100.00
475.0563354	0.10
478.7098389	0.03
479.3798828	0.09
487.2128906	0.02
492.3648682	0.02
560.8731689	0.21
561.5006104	0.27
562.8242798	0.06
588.9635620	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	265.02
Annotation	Unknow
Peak:m/z	Relative Intensity
223.8784637	100.00
224.5021667	0.12
236.8239136	0.03
239.8543549	0.05
241.7257690	17.55
242.3409424	0.07
273.0567627	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	693.2
Annotation	Sesaminol glucosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
193.1374664	0.32
200.2996826	0.06
201.9687195	0.13
203.1449127	0.06
214.1163025	0.05
215.0306854	0.04
216.1630096	0.23
217.0434570	1.01
218.1347961	0.02
224.8421936	0.04
229.2447357	0.11
230.0494385	0.02
231.1589661	0.29
233.1025543	0.02
235.1081848	0.40
242.2012939	0.20
243.2650757	0.06
244.1268005	0.29
247.1706543	0.25
259.0769958	5.02
259.6835327	0.02
265.1406250	0.12
268.0219727	0.05
269.3723450	0.04
273.1260681	0.03
275.1498413	0.03
277.1405640	0.14
286.3771667	0.03
295.0952148	0.08
301.3838806	0.38
305.1195984	0.10
319.1552734	0.20
323.4724121	0.05
335.2482910	0.03
337.4420776	0.06
355.2728882	0.22
367.3646240	0.02
369.0053711	0.02
391.2227173	0.02
397.3281250	0.70
404.1547852	0.08
410.9932251	0.05
427.2490234	0.59
457.3550415	0.49
458.3208618	0.05
469.3023682	0.19
478.8768311	0.05
480.8513184	0.16
481.5037842	0.16
484.4567871	0.06
485.1966553	0.33
499.3150024	100.00
500.1348267	0.05
517.2683716	0.08
530.5407715	0.15
531.3220825	0.06
586.8562622	0.02
596.9392090	0.06
603.2035522	0.05
606.4909058	0.13
611.7774048	0.09
620.6044922	0.04
621.3412476	0.05
633.0650024	0.37
646.9173584	0.12
648.1547241	0.20
649.0371704	0.03
655.4448853	0.05
659.9960327	0.03
674.8313599	0.14
675.6012573	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	794.61
Annotation	Unknow
Peak:m/z	Relative Intensity
458.7611084	17.85
542.6198730	100.00
626.4273071	73.63
628.5900879	8.93
710.3273315	15.84
748.2166748	10.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.9392
Annotation	Unknow
Peak:m/z	Relative Intensity
114.8779221	0.02
159.0249786	0.32
229.0375366	0.14
247.1814575	0.02
271.1365356	0.19
272.9640808	100.00
332.1121216	0.04
340.9130554	0.08
343.1539307	0.01
391.3720398	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	325.14
Annotation	Unknow
Peak:m/z	Relative Intensity
96.9641037	0.12
121.0470428	0.06
123.1401825	0.02
126.8905258	0.15
132.0388947	0.11
144.5032654	0.63
145.9491577	7.56
149.2037506	0.15
149.9703064	0.18
162.9170685	0.71
179.7425232	0.04
182.2943726	0.24
184.3133240	0.07
185.0974731	0.08
191.0602264	0.08
192.9224091	0.19
199.3421326	0.07
203.9772034	0.02
204.5824585	0.07
206.2647095	0.07
207.3722229	0.04
209.2291870	0.08
212.1157227	2.76
213.0874023	0.60
217.1543579	0.02
223.1062622	0.03
224.2834473	0.08
231.3410950	0.12
235.1223755	0.06
237.1318359	0.03
240.2132263	0.29
240.9795532	0.22
242.0094299	0.22
245.7003174	0.02
247.0187378	0.20
251.0289612	0.18
252.1091614	0.23
253.2382202	0.06
254.6303101	0.07
258.7835083	0.55
260.1767578	0.12
261.1906128	0.55
262.8555908	0.06
265.2181396	0.03
266.3060913	0.11
268.1500244	100.00
269.1656799	17.96
270.3569336	0.22
271.1730957	0.97
277.7363281	0.02
278.9434509	0.21
280.1744385	0.20
281.3570862	0.08
283.9418640	0.27
286.2014160	0.20
287.1588135	0.03
288.1518555	0.13
288.9585266	4.32
296.4468994	0.10
297.3134766	0.03
298.3686523	0.07
300.1706238	0.05
301.6886597	0.24
304.7562256	0.11
305.6608276	0.23
307.1641846	5.42
308.0138550	23.01
309.4354858	0.16
315.9049683	0.19
316.9454041	0.06
324.1820374	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
114.9111938	0.32
142.9756622	0.46
145.5382385	0.28
149.1120605	0.31
169.1108704	0.81
171.1445465	1.26
173.139328	0.86
187.2464142	0.36
199.6576385	1.32
200.9748993	1.42
213.2858276	1.33
215.1552124	0.49
229.2209167	0.91
231.4258423	0.26
243.230957	0.60
245.0695496	1.78
255.3463745	0.40
257.1679993	1.99
259.6038818	1.80
262.2893677	0.88
263.1723022	0.70
267.1773682	3.11
269.3042603	1.15
271.2996216	0.35
271.9224243	0.79
274.9872742	1.37
277.276123	0.76
280.550293	0.62
281.1932678	0.48
283.0776672	0.40
285.180481	1.56
287.2178955	0.88
295.432373	3.44
297.2451477	2.57
299.2739868	7.06
300.0861816	0.60
301.4180603	1.68
309.4572754	0.38
311.1572876	9.21
312.286377	1.18
313.1957703	4.92
314.2748108	0.53
315.3204346	1.40
319.0500488	1.05
321.410675	5.71
323.3227539	6.71
325.3051453	0.62
329.3258667	0.57
336.893158	0.36
339.255249	100.00
339.8788452	2.10
341.3569031	20.59
343.1061707	0.68
357.2187195	1.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.1138
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
138.0957031	0.05
143.0077820	0.18
146.9965668	0.10
148.8618164	0.45
153.1647949	0.46
161.0727844	0.19
164.0590820	4.13
168.9177704	0.04
174.7762146	0.10
177.2996216	0.04
179.0866699	1.80
190.0246277	3.91
203.1630249	0.20
205.0845947	51.48
208.0483856	0.46
218.8359680	0.22
221.1677856	1.20
223.0615845	100.00
232.3019409	0.72
233.1326904	1.35
237.1335754	0.69
247.0343933	55.58
249.2069397	0.42
251.3874207	0.06
263.0961609	0.51
265.1246643	9.38
275.3662109	0.06
277.1048584	1.40
283.1976318	0.18
289.1190186	0.96
295.1243896	5.31
305.2161560	0.15
307.2004089	0.35
325.1232300	4.94
354.9907532	0.19
367.1376343	1.59
370.1204529	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	634.73
Annotation	Unknow
Peak:m/z	Relative Intensity
212.9903870	0.30
296.8574219	4.96
298.7173462	2.98
336.1022949	0.15
379.3157349	0.64
379.9531860	0.42
380.6347656	7.04
381.6698608	1.80
382.6694946	17.80
383.2888184	0.41
386.6813965	0.20
388.5414429	0.09
429.2590942	0.42
463.8817749	0.21
464.5476685	14.00
465.9343262	4.32
466.6533813	34.90
468.0588989	0.48
468.8317871	1.70
470.7809448	0.83
471.6939087	0.64
472.6229248	4.38
488.8889160	0.33
490.9979858	0.29
498.6660767	1.51
514.8090210	1.17
527.8038940	1.95
528.6674194	4.91
540.5753174	0.45
544.6195679	0.12
547.9729614	2.98
548.6062622	18.84
549.9712524	14.40
550.5849609	100.00
551.3369751	0.19
557.8327637	0.79
558.6359253	0.47
569.7030640	0.42
570.5020142	2.39
571.2042847	0.08
572.0309448	0.06
572.8663330	0.10
574.4418335	2.60
587.5116577	0.88
588.6125488	2.04
616.0916748	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	617.9
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1224060	0.08
199.7326355	0.04
218.0197754	0.01
229.3599854	0.07
231.1997528	0.12
246.2738953	0.03
262.9328613	0.02
272.9988403	5.65
274.0688477	2.76
275.1048889	3.34
276.0386353	0.36
343.2401733	0.08
384.7903442	0.01
386.9766235	7.95
388.0257568	6.32
389.0058594	15.17
390.0195923	3.92
426.8282471	0.07
500.9201050	18.63
502.0590210	34.03
502.9586792	100.00
503.9642334	43.11
528.1035767	0.04
542.9038696	0.02
570.8685913	0.22
571.7972412	0.11
589.3266602	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	707.1821
Annotation	Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside)
Peak:m/z	Relative Intensity
274.1980591	0.04
340.1571045	0.08
349.4880981	0.09
353.2285767	100.00
402.2637329	0.05
487.2269287	0.03
514.1486816	0.10
526.6257324	0.03
544.0884399	0.05
575.0885620	0.05
619.4584351	0.08
661.9104614	0.12
684.4956055	0.08
687.1159668	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.2694
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
191.1585846	0.01
207.2294312	0.02
208.2888947	0.01
208.9895630	0.04
210.9610443	0.03
219.0002441	0.08
221.1506042	0.71
234.3975830	0.02
239.0549774	0.11
240.9291534	0.01
246.9080505	0.01
249.0728455	0.07
251.1295624	0.40
252.3145447	0.07
253.0362549	0.02
261.3964844	0.08
265.1741638	0.25
267.1100464	4.39
268.3980713	0.08
278.0771484	0.02
279.2229004	0.03
281.1921692	1.52
282.0951233	0.01
283.0449829	0.07
285.0288086	0.58
287.1246338	0.03
288.4019165	0.06
295.2332764	0.03
296.9434204	0.05
298.1782837	0.04
298.8114624	0.14
301.2809448	0.02
306.1026001	0.03
307.7857666	0.04
321.6598206	0.06
325.2744751	0.03
327.2095947	0.04
328.5621948	0.03
329.4566040	0.05
339.0618896	0.11
351.2659302	0.01
355.1820679	27.91
356.2735596	0.02
357.5389404	0.01
359.0383911	0.01
361.1951294	0.08
368.7003784	0.02
371.0894775	1.27
372.5449829	0.05
393.1508179	0.04
398.1072998	0.01
399.1980591	0.03
401.0142212	0.17
406.2348633	0.05
407.3626709	0.37
408.4957275	0.38
409.1763916	0.04
415.1254883	0.66
419.1787109	0.04
424.0913086	0.12
433.2501221	0.08
434.6603394	0.06
435.5777588	0.02
436.2847290	0.06
440.5654297	0.02
447.0594482	0.09
447.8710327	0.07
448.5139771	0.78
449.3823853	0.52
452.3820190	0.02
453.2730103	0.01
459.5093994	0.19
460.6900024	0.03
462.9154053	0.04
463.6008301	0.05
466.4393311	0.08
473.5345459	0.02
474.7396851	0.05
477.7757568	0.08
478.6909790	0.05
479.5639038	0.17
480.3947754	0.36
481.4984741	0.14
483.3594971	0.03
486.6623535	0.06
487.5739136	0.05
489.1364746	0.54
490.7739868	0.08
491.7129517	0.05
492.4312744	0.06
493.2869873	0.03
495.4626465	0.03
499.8069458	0.03
500.4558105	0.06
501.3981934	0.10
502.5271606	0.19
503.4923096	0.38
504.3256836	0.25
505.4528198	0.17
506.3959351	0.15
507.4280396	0.09
508.3999634	0.04
509.6782837	0.04
511.4400024	0.07
512.5573730	0.07
513.4924316	0.07
514.9096069	0.22
515.5870972	0.05
517.1417236	0.28
518.5043945	1.12
519.4296875	10.58
520.3767700	5.84
521.3754272	2.36
522.5324097	1.13
524.0479736	0.05
531.3136597	1.03
532.5106812	0.56
533.4019775	0.34
534.7379150	0.06
535.5723267	0.15
536.4353638	0.06
537.5736694	0.14
538.3684692	0.05
541.0058594	0.02
542.3276978	0.19
545.4909668	0.04
547.3580933	0.62
549.3440552	7.23
550.4608765	3.07
551.5077515	0.55
552.4705200	0.19
553.4490967	0.53
554.1726685	0.04
554.8694458	0.00
559.3986816	0.20
560.3481445	0.36
561.6384277	0.09
562.2557983	0.06
563.4596558	1.10
564.3630981	0.49
565.2926636	0.07
566.3218994	0.05
567.5426636	0.04
568.3403931	0.02
573.4495239	2.30
574.4730835	0.58
575.3176880	0.31
576.4611206	0.24
577.2446289	2.87
578.5038452	0.80
579.3955688	1.92
580.4714966	2.48
581.4861450	1.60
582.4168701	0.53
583.4594727	0.03
591.4559937	100.00
592.4481812	40.49
593.4156494	4.66
594.6553955	0.02
609.5161743	0.48
610.9102783	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	605.2411
Annotation	Phaeophorbide b
Peak:m/z	Relative Intensity
237.9537048	0.03
243.6030579	0.24
249.1672821	0.08
253.0986938	0.26
267.1882324	0.25
295.2019043	0.10
297.2561646	0.10
299.3504639	0.04
310.3274536	0.07
329.2136230	0.03
331.3435669	0.02
337.5318604	0.07
351.4384766	0.09
359.1642456	0.11
367.2817993	0.08
391.5365601	0.07
405.2356567	0.09
417.4495850	0.17
431.6726685	0.47
432.3712158	0.29
435.7064209	0.12
443.6380005	0.06
458.6796875	0.04
461.4070435	0.12
475.3927002	0.11
484.3058472	0.19
487.4512329	0.09
491.5559692	0.26
501.2558594	0.28
504.2239380	0.13
511.8417358	0.18
516.9584351	0.05
518.2761841	0.04
519.4206543	0.06
521.1165771	0.08
523.8735962	0.12
529.3026733	100.00
530.1889648	0.09
532.3200073	0.22
533.5275269	0.51
537.3186035	0.03
539.8811646	0.05
545.3689575	0.16
548.5968628	0.10
550.8223267	0.19
553.3215942	0.15
558.4487915	0.49
559.2564697	0.07
561.3521118	3.13
562.1113892	0.11
563.4491577	0.08
564.1486206	0.06
569.4994507	0.27
573.1987915	29.10
586.4378052	0.32
587.3324585	1.93
587.9445801	0.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	335.1
Annotation	Unknow
Peak:m/z	Relative Intensity
117.0043411	0.35
130.1362610	0.33
131.9605255	2.65
138.1514130	0.16
148.8885193	0.14
159.9791870	100.00
179.0004272	0.19
194.9452057	0.34
201.0753479	0.59
211.3449097	0.10
213.1150513	0.04
215.9230652	0.07
234.1795349	0.31
235.2440491	0.31
243.1493225	0.31
244.5002136	1.08
247.8849792	0.07
252.1567383	0.20
259.2483521	0.43
261.3986206	0.22
262.9309082	0.13
271.2769775	0.73
272.1665649	0.35
273.1377258	0.16
273.8336487	0.29
276.8836060	0.05
286.0916748	0.39
289.0584106	1.81
293.1278992	0.14
298.9210815	0.15
307.3425903	0.27
317.0695801	0.72
318.4882202	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	324.21
Annotation	Lysergic acid diethylamide
Peak:m/z	Relative Intensity
111.9993591	0.04
128.8965759	0.09
137.8828278	0.02
148.0947876	0.03
149.1524048	0.11
162.8129578	0.04
166.3190918	0.06
176.9920197	0.10
179.8135834	0.04
184.0737915	0.22
198.0065308	0.06
201.0924683	0.07
212.1439209	2.85
218.1895447	0.03
218.9732361	0.12
222.0213318	0.04
222.8569031	0.21
223.9711609	0.04
227.1619873	0.06
228.2713318	0.08
229.2898560	0.09
230.1441040	0.08
233.6490784	3.90
234.3453674	0.03
239.9537964	0.32
246.8773193	0.10
260.0721130	0.06
262.4506226	0.23
263.9544678	0.34
264.9584961	0.25
268.1449280	100.00
269.2208252	1.01
269.8287048	0.11
277.7546692	0.08
279.1283875	0.06
287.8237915	0.51
291.7452393	0.22
293.7756348	0.13
296.3572998	0.21
306.0677490	2.33
306.9645996	0.05
308.4161072	0.37
310.3650208	0.05
314.4148560	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	486.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
194.1538391	0.10
205.0733337	0.02
239.2613525	0.08
240.9707642	0.08
255.2372131	0.03
272.2258301	0.03
274.1163940	0.03
283.3728027	0.15
306.0539856	0.04
312.1248474	0.25
312.8217468	0.02
322.2369995	0.18
323.3092957	0.05
331.1554260	100.00
331.7571106	0.16
340.2212524	0.06
341.2395630	0.04
356.0428772	0.05
357.8506470	0.06
364.2078857	0.04
365.3321228	0.03
369.0574341	0.02
396.3445129	0.09
398.3471680	0.03
402.0578918	0.02
406.3222351	0.05
424.2522888	0.05
429.2346497	0.06
440.1107788	0.06
442.2338867	0.14
450.3204041	0.02
456.2166443	0.04
468.1690063	0.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	404.1541
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
126.9122925	0.09
143.7993317	0.14
147.0629120	0.07
162.0377502	0.15
175.1167908	0.41
180.0292053	2.14
191.7656860	0.02
207.0373840	18.87
216.1060791	0.05
220.9920502	0.07
224.9813080	100.00
225.5844116	0.07
230.1809082	0.02
241.8403015	15.70
242.5117493	0.03
249.1578979	0.10
265.7003784	0.07
269.2966614	0.01
272.3244019	0.03
276.9564514	0.02
280.9809570	0.04
288.1702881	0.39
289.9778748	0.03
292.0948486	0.12
297.1439819	0.06
299.1857605	0.02
305.3681641	0.15
315.0193481	0.11
316.2225342	0.05
323.3333740	0.13
328.9566040	0.15
330.1790771	0.03
331.4085693	0.11
337.3002319	0.02
344.1850891	0.02
350.9553528	0.06
358.1041870	0.25
359.2890320	0.04
361.2419128	0.13
368.2909241	0.14
369.0858459	0.40
371.9455566	0.01
374.0410461	0.06
375.1080627	0.06
376.2594910	0.03
385.3833923	0.35
386.2063904	0.77
387.0267944	0.32
395.0224915	0.03
404.3913879	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	705.1824
Annotation	Lychnose
Peak:m/z	Relative Intensity
201.1706390	0.06
281.7122803	0.05
291.2059021	0.03
359.1659546	0.08
361.3574829	0.34
362.2788086	1.85
363.1895142	2.71
374.2269897	0.05
378.0570068	0.03
381.2009888	7.75
388.5835571	0.04
396.6748657	0.05
399.8385010	0.31
437.3220215	0.14
451.2454834	0.03
452.2266846	0.27
453.1417847	1.44
483.1533203	0.05
490.4067383	0.71
491.2855835	0.04
497.1614380	0.08
507.3482666	0.11
525.2791138	12.47
533.0745239	11.18
533.7252808	1.65
541.0804443	0.09
541.8949585	0.12
543.2096558	100.00
544.3031006	0.51
553.3906860	0.05
572.2009888	0.10
582.2282104	0.06
603.2946777	0.05
606.7248535	0.05
615.3173218	3.79
644.2960815	0.35
645.2545776	1.18
687.3937988	1.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	537.9341
Annotation	Unknow
Peak:m/z	Relative Intensity
216.8547974	0.14
299.1342773	0.06
309.1063843	0.12
311.0255127	0.14
339.0045776	0.08
368.8493652	0.10
385.1362305	0.19
423.0428467	0.61
424.3070679	0.75
425.0068359	5.25
426.1054688	1.97
440.4513550	0.14
442.6714478	2.19
443.3540649	0.08
450.8310547	0.25
464.1393433	0.16
464.9837036	0.40
465.8464355	0.12
466.9526978	0.16
483.0463867	0.05
484.1303101	0.09
491.1857300	0.14
492.1679077	6.00
493.0222778	100.00
494.0025024	12.21
494.8656616	0.56
496.3108521	0.10
510.2368774	5.22
510.8696289	33.24
511.9981079	4.76
512.7578735	0.34
513.8768311	0.22
526.7006836	0.24
528.1177368	0.85
528.7355347	0.34
529.5162354	0.26
531.0070801	0.18
533.8801880	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	529.1564
Annotation	Antibiotic PA 42702A
Peak:m/z	Relative Intensity
149.1368561	2.66
152.9576721	0.76
161.0221252	0.89
163.0692749	0.23
164.0160675	9.39
165.3026733	0.22
166.9683228	0.20
173.2259369	0.26
175.0245514	7.90
177.1389160	0.71
178.2360077	0.22
179.1691742	2.40
181.0859985	0.25
189.9607849	24.54
192.0522614	0.26
192.8034668	0.09
197.2776642	0.27
198.9533386	0.15
200.4967651	0.11
202.9716797	0.21
205.0274353	95.54
208.1862946	1.93
209.2059326	0.37
213.3230591	0.17
215.0538330	3.29
216.9946136	2.98
217.9760895	0.79
218.9416809	0.73
221.1974945	1.30
222.0226135	0.06
223.1193542	100.00
225.3464661	0.14
229.5011444	1.66
230.2720337	0.46
231.1320953	0.78
232.2364655	3.73
233.1065674	0.58
234.0617828	0.44
237.1146851	0.76
241.2658997	0.28
244.3590698	0.27
245.2240906	4.07
246.4145355	4.60
247.1787720	21.43
249.0776978	0.39
252.8937378	0.09
257.1382446	1.80
258.0727234	0.23
259.1320801	0.25
261.0150146	5.79
262.0652771	0.25
263.1584473	3.33
265.1130981	6.60
271.2685242	0.18
272.2259521	1.46
273.1000977	0.30
274.0255127	2.71
277.1930542	3.82
282.9901428	0.28
287.1289368	6.64
288.0140381	0.47
289.0845337	51.59
291.2667236	0.20
293.2299194	0.16
295.0970459	1.78
303.2102356	0.37
305.2182007	0.82
307.0012207	1.76
313.1630859	0.84
319.2996826	0.29
323.2962646	0.78
325.3346558	2.93
331.0064697	6.94
333.4496460	0.17
349.2513428	3.42
355.3286743	0.25
361.2911987	0.25
367.1723633	3.81
381.2467041	0.20
385.1962280	1.70
409.3740845	0.10
413.3248901	0.75
421.2713013	0.17
423.3156128	0.26
425.3583374	0.22
427.1322632	2.07
433.1585693	0.28
443.1047363	0.59
451.1699219	0.59
452.1873169	0.24
457.1506958	3.02
469.2009888	1.88
482.8546143	0.12
484.4136353	0.40
485.3152466	0.80
491.1806030	0.16
493.2020874	0.36
508.0740356	0.31
509.4432983	0.16
511.2258911	4.64
514.2240601	2.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	308.0904
Annotation	Glutathione
Peak:m/z	Relative Intensity
115.7929535	0.76
128.1592560	0.19
129.9047546	0.13
132.6872559	0.08
136.0173340	0.23
143.9615936	2.33
145.2166443	0.03
157.1743164	0.10
161.9369965	20.60
168.9198303	0.04
178.9471130	100.00
179.9601593	0.03
180.9674072	0.09
187.1492920	0.02
190.0357819	0.06
195.0358734	0.10
199.0413818	0.03
204.8229370	0.23
208.1500854	0.02
215.1761475	0.51
216.9131165	0.04
221.2064209	0.08
223.9815674	0.01
226.3252258	0.03
227.2935486	0.08
233.0562134	19.65
234.0021057	0.03
241.0764771	0.20
245.0263672	1.62
249.1446533	0.34
252.2561951	0.05
262.0216675	0.21
263.2496643	0.05
265.3627625	0.05
266.7363892	0.14
272.1058044	0.94
272.9987183	0.08
276.0711060	0.07
280.3385010	0.06
290.0950928	7.16
291.1976929	2.15
308.2523499	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	223.06
Annotation	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone
Peak:m/z	Relative Intensity
74.9922562	0.04
93.1947174	0.03
107.0908203	0.02
112.9591064	0.01
119.9712982	0.07
123.1690826	0.02
135.0989685	0.45
146.4806671	0.04
147.1161957	0.07
149.0133514	0.23
151.0627899	8.32
152.8548737	0.15
156.9266968	0.05
163.9837646	19.16
164.7875519	0.07
177.0507660	0.16
179.0331116	44.98
180.9070435	0.06
184.8934937	0.19
191.9541168	0.10
192.8381195	0.09
194.9754333	0.46
202.9525299	0.11
204.2408447	0.08
205.1391754	0.38
207.9627838	100.00
208.5905914	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2872
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
145.1550751	4.54
152.9056091	5.83
159.0470428	2.55
170.8525391	5.13
195.1938782	11.58
198.8301086	4.75
220.2098694	1.04
230.0436554	5.62
245.5507202	3.99
270.3288879	3.78
277.6851807	2.04
281.0898743	5.32
286.1919556	4.54
301.4814148	1.39
309.4419556	4.62
314.0045166	3.39
330.2250366	1.90
332.1664429	11.31
335.2977295	2.47
337.2047119	8.64
339.1472473	1.94
340.2668457	3.34
341.1820679	3.56
345.4548035	1.74
348.1553345	4.13
356.457428	6.68
357.4312134	4.98
363.1138916	2.62
365.1945496	5.66
366.4087219	5.37
370.2105103	5.16
374.8375549	2.73
380.3044739	1.50
382.4361877	6.75
385.5867615	3.55
389.1374817	9.02
390.2148743	5.16
390.973175	5.64
395.7077637	5.16
396.5139771	1.91
407.2517395	14.94
408.2815857	100.00
409.4305115	3.67
410.2765198	10.61
411.3816833	2.95
427.8201904	4.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	707.15
Annotation	p-Coumaroyl vitisin A
Peak:m/z	Relative Intensity
199.1078033	0.07
202.0510254	0.13
207.0866699	16.84
209.2431793	0.03
217.2109375	0.31
219.3198395	0.09
221.1510010	0.08
224.9302826	0.39
226.1233368	0.04
233.1964722	0.25
235.0315704	0.55
237.1596069	0.02
241.4486084	0.09
243.4464874	0.05
244.9680023	0.21
247.2500305	0.57
249.3356323	0.03
255.1369934	0.06
259.3794556	0.20
261.1369019	0.47
263.3258057	0.71
273.1987610	0.36
277.1194763	0.12
285.0150146	0.39
287.1767578	0.20
291.1528931	1.27
302.9884644	0.55
305.1919556	0.30
314.9948730	0.27
321.1126099	4.27
333.2127075	0.79
337.1088867	0.20
339.0516357	49.52
339.6755676	0.14
341.2258301	0.18
351.0957031	10.73
367.1854248	0.02
369.1269531	100.00
372.1987915	0.08
391.3041992	0.14
401.3765259	0.07
421.4295044	0.25
439.4028320	0.11
451.2644043	0.19
479.0394287	0.05
481.6203613	0.08
491.5246582	0.03
499.2214355	0.19
503.3610840	0.08
509.2935791	0.38
527.3427734	0.24
544.5380249	1.08
545.1792603	2.82
547.3979492	0.07
560.3081665	0.14
565.5602417	0.09
577.2194824	0.26
583.3401489	0.34
641.8930054	0.25
670.8312378	1.21
671.5252075	0.50
687.0217896	0.17
688.4081421	0.61
689.2149048	0.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	259.0786
Annotation	4'-Hydroxyflurbiprofen
Peak:m/z	Relative Intensity
83.2545166	0.02
87.2141266	0.01
102.8936768	0.02
112.8857727	0.03
126.8716125	0.03
139.9592438	1.12
145.0528259	2.22
159.0487518	0.03
166.8979645	0.02
169.3950500	0.05
179.0836945	0.04
186.9379425	0.04
196.1209106	5.26
198.1477203	0.16
202.3541107	0.18
211.2407379	0.05
213.0592804	100.00
214.0415497	0.85
215.1568451	0.25
219.1830750	0.02
223.0205536	0.04
225.2768097	0.14
229.3743439	0.02
230.9783173	19.20
233.1769867	0.10
241.2606812	0.43
242.1229706	0.51
259.2717590	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
92.9273376	1.83
112.9828491	0.25
137.0040894	100.00
145.2437134	0.09
161.0984039	0.17
167.2942505	0.15
203.0134583	0.05
205.0575256	0.09
213.1194458	0.14
228.1473389	0.02
237.2366028	0.11
253.0560913	0.85
255.1903992	0.48
257.1594849	0.26
258.1058044	0.25
262.9276733	0.19
269.3366699	0.05
270.8380432	0.13
280.2942505	0.07
281.1682129	0.20
282.0888062	0.06
283.2274170	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.14
Annotation	Unknow
Peak:m/z	Relative Intensity
101.2022247	0.04
102.9588394	0.06
120.0034485	3.35
131.0343628	0.07
146.0929108	1.93
147.0633392	0.10
148.8316650	0.16
154.9466553	0.05
164.2803955	0.04
166.0747070	100.00
174.9835510	0.17
177.0174255	0.17
183.1863403	0.05
195.0485535	0.13
196.2271576	0.21
208.9378967	0.10
217.1085205	0.20
219.1093445	0.15
224.9408569	0.45
236.3843689	0.05
237.1224670	0.15
245.0323486	0.13
251.1135864	0.20
253.2908936	0.25
264.9163208	4.77
266.0626221	0.06
270.1869202	0.30
274.1858826	0.17
279.8672485	0.07
281.2684021	0.12
282.0129700	0.27
283.1482544	0.69
289.6902771	0.30
292.0046387	0.07
293.0736084	2.10
293.7076416	0.12
294.4450378	0.05
301.7918701	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
140.8196716	0.38
156.9798126	1.10
162.9897156	1.06
168.7721558	1.17
171.0330811	1.51
176.9179382	0.50
183.1112061	0.17
184.9977417	2.08
186.8852234	1.37
199.1497498	4.52
201.0612183	2.83
203.056427	0.41
211.338562	0.69
213.2047119	0.10
215.1316528	3.52
216.3396912	0.20
217.1554565	2.55
227.3028259	1.27
229.2814331	3.78
231.2274475	0.26
237.1934814	0.90
241.0470276	0.56
243.1668091	2.73
245.4872131	0.76
255.364563	2.36
257.1435547	3.01
263.1727295	2.69
263.7769165	0.10
267.0507202	0.50
269.2073364	1.60
271.3390503	2.58
273.1271667	0.47
279.3195496	0.84
283.1999207	1.11
285.2171326	2.81
287.4714355	0.84
292.9559631	0.12
295.2125549	1.17
297.4238281	3.11
299.4682617	5.50
301.3693848	1.40
311.7124023	0.66
313.0266418	1.25
315.4082642	5.26
321.2769165	3.07
323.5133057	4.40
325.2804871	1.05
327.0878906	1.57
329.2771606	0.21
337.5674744	0.38
339.2569885	100.00
339.8770752	0.46
341.2990417	21.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	688.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
203.9955292	0.75
217.9084015	0.05
220.1564636	0.20
227.8596802	0.08
232.0553894	0.28
233.2473145	0.32
234.9854736	1.23
235.9976196	1.25
242.1313782	0.29
244.8799133	2.24
245.9983978	1.34
246.7833862	1.89
251.3561401	0.20
257.9636230	1.90
258.9558716	0.41
260.1204834	0.06
260.9913940	0.67
261.9413147	0.58
264.1624756	0.51
265.0632324	1.38
269.0421753	0.12
271.0187683	7.18
273.1213379	0.06
274.0628052	0.79
275.0559692	1.16
275.8863220	0.54
277.9411011	0.21
278.9638367	0.07
282.2019653	0.14
283.7664795	2.73
284.3678589	0.16
288.0341187	0.55
289.8579712	0.26
292.0538635	0.19
295.1022339	0.55
296.7703247	0.15
299.0284729	0.07
300.6349182	1.54
301.2520752	0.28
302.0942688	0.31
303.7627563	0.87
305.0924072	0.72
305.7756653	0.04
307.5020447	0.51
308.1808472	0.16
308.7907715	0.06
313.1200256	0.08
313.9362793	0.24
315.0976257	2.23
315.9854736	3.30
318.0169067	0.27
319.0777588	1.46
320.0219116	0.85
320.9167480	0.08
323.1421509	0.46
325.1224976	0.18
332.1204529	0.78
333.7888794	0.20
334.9761963	0.11
337.3057251	0.06
338.1748962	0.52
341.1319275	0.75
343.0462036	0.07
344.1033936	0.04
345.0989075	4.33
346.1348877	0.59
347.2504272	0.26
348.1211548	0.74
350.0795898	0.04
350.9667358	2.13
358.0292358	0.52
360.9071655	0.18
362.0200195	1.52
362.9926758	16.53
363.5958252	0.12
364.3939209	0.05
367.2466431	0.51
368.0336914	0.40
376.9354248	6.59
378.1456909	17.12
380.0709839	6.96
381.2654419	0.10
381.9710693	0.68
383.4078369	0.26
385.2114258	0.46
392.9929199	0.22
394.3068237	4.90
394.9597168	28.83
396.0453491	16.52
397.0709229	2.02
398.0039673	9.01
404.0917969	0.04
407.0890503	0.52
407.7994995	0.08
409.0360718	1.41
410.0167236	8.02
410.8533325	0.90
411.9025269	0.84
415.9931030	0.40
426.9673462	7.11
428.0178833	3.81
428.9990845	4.34
430.0669556	0.30
440.9736328	4.96
442.6856079	0.10
444.9786377	34.62
445.9960327	43.97
452.2170410	0.25
459.0482178	8.78
462.2729492	0.28
463.1445923	0.64
464.1343994	0.28
465.9765015	0.06
474.9681396	6.26
476.1559448	1.62
477.8819580	100.00
478.5126343	0.30
479.3297119	0.27
480.0526123	0.97
481.0178833	0.19
482.2841797	0.29
492.4003906	3.06
493.0139771	6.08
493.9984131	3.88
498.2056885	0.23
506.8399048	0.52
507.8819580	0.65
512.9055176	0.13
523.3874512	0.06
524.9407959	15.72
525.9086914	28.44
526.5926514	0.10
527.2760620	0.07
539.0337524	2.22
541.0446167	0.08
555.5876465	0.09
557.0013428	17.02
572.0916748	1.61
581.3403931	0.14
588.7551880	1.22
589.6413574	1.74
590.2532349	0.81
596.8158569	0.30
606.8527222	5.79
608.0263672	5.30
609.2673340	0.11
621.6369629	0.23
627.5726929	0.20
668.8393555	3.94
669.8004761	3.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	392.0986
Annotation	RD 01A3
Peak:m/z	Relative Intensity
113.1165924	0.26
114.8020630	0.26
148.7609711	0.13
155.2196350	0.11
175.0323792	1.21
202.0702209	0.19
203.8797913	0.32
205.2163696	0.20
216.4276276	0.11
244.1930237	1.91
260.2709961	0.30
263.0059814	0.34
270.2426453	0.28
272.2771301	0.07
273.0526733	0.27
288.1745605	4.80
289.8555298	0.15
303.8173523	2.49
306.2802734	0.50
307.2335815	0.19
311.5399170	0.07
313.1190186	0.12
314.2079468	0.10
316.2518616	0.07
319.3631897	0.12
320.2691956	0.09
321.1817627	0.06
326.1729126	0.29
330.3764954	0.46
331.9316406	0.55
333.3309631	0.12
335.3040466	0.09
341.4522095	0.10
345.5565796	0.54
346.2543640	4.15
348.0912170	100.00
348.9788208	0.71
353.8434448	0.45
354.4836731	0.31
355.9610901	0.64
360.5563354	0.39
365.0910034	0.21
373.3069153	2.12
374.2905579	1.91
375.0609436	0.13
378.0771484	0.39
393.9630432	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	148.06
Annotation	3-Aminopentanedioate
Peak:m/z	Relative Intensity
83.9645233	1.22
100.9525146	0.26
101.9860687	17.72
129.9437561	100.00
130.9341431	7.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	435.1344
Annotation	E-3174
Peak:m/z	Relative Intensity
127.9570770	0.03
135.9554138	0.04
142.9664307	0.05
146.1590271	0.02
159.8759155	0.07
167.1558533	0.07
169.0829773	0.02
176.8465881	0.18
177.8573914	0.02
178.9457550	0.09
193.1056824	0.02
210.0996704	0.04
213.3626404	0.04
227.5016022	0.06
231.2149963	0.01
238.0911255	0.06
254.1186829	0.81
258.1574097	0.01
271.2388916	0.02
272.2345886	1.70
273.4824829	0.06
288.0934143	2.30
289.1287842	0.04
291.5874023	0.02
296.9279175	0.01
306.1167297	100.00
306.9346924	0.01
311.9806519	0.04
313.1522827	0.01
314.3988342	0.02
322.2385864	0.02
323.1296387	0.05
325.1786804	0.03
343.2871094	0.02
346.2998962	0.02
367.3205872	0.02
370.2910461	0.04
371.4016418	0.08
375.1865540	0.02
388.2433167	0.07
389.1829834	0.09
390.4155273	0.03
391.3285217	0.06
397.0541687	0.16
398.0683289	0.04
399.3403015	0.21
400.3128052	0.05
407.5268860	0.05
416.1398010	0.10
417.0757751	0.19
425.2721863	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	358.1
Annotation	Unknow
Peak:m/z	Relative Intensity
133.7453308	0.37
151.9846497	0.48
175.0883179	0.84
185.0896301	0.25
207.0989990	20.68
208.3907776	0.38
252.0890198	0.16
261.8832092	0.20
269.0300598	0.21
276.0797119	0.11
279.3701477	0.11
283.9779358	0.06
286.0283813	0.37
291.1883240	0.27
293.9945679	100.00
298.5819702	0.04
300.9367981	0.06
308.9001465	0.09
311.4232178	0.11
312.5835571	0.33
315.8100891	0.11
316.9062195	0.06
318.1731262	0.10
322.2131653	0.14
323.0030823	0.07
326.7511597	0.45
327.5669861	0.27
329.3099365	0.10
330.0834351	0.09
335.7498779	0.26
339.1009216	0.22
340.0358276	5.53
341.0043945	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	588.9
Annotation	Unknow
Peak:m/z	Relative Intensity
245.0792236	0.05
273.0016479	1.43
274.1437683	0.59
275.0945129	0.38
349.4164429	0.23
358.9126587	0.06
361.2032471	0.41
386.9010010	0.24
388.3369751	0.03
404.9168701	0.17
427.1547241	0.58
428.1072388	1.73
429.1397705	2.63
430.1495361	0.43
456.2552490	0.12
457.1671753	0.09
473.1179199	1.83
473.8496704	2.12
475.1229248	3.80
486.9992065	0.18
501.6773071	0.59
504.2824097	0.55
515.3501587	0.34
519.9561157	0.15
526.8373413	0.23
529.9650879	0.29
541.8884277	100.00
542.8193970	95.54
543.8428345	0.60
545.1932983	0.07
560.8558350	0.31
569.7585449	0.11
589.1269531	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	553.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
201.3769836	0.07
233.3266296	0.03
240.1694489	0.04
243.0828094	0.07
247.1278687	0.05
258.4594727	0.08
259.2583008	0.07
265.2366943	0.14
271.4350586	0.11
283.3277588	0.14
285.4310913	0.22
286.4508667	0.08
303.3878784	0.23
311.4788818	0.04
317.2815552	0.22
329.3575439	14.88
347.2435303	44.69
347.8978271	0.35
359.1606445	0.05
363.1153564	0.15
373.3580933	7.25
391.2307739	100.00
392.1420288	0.10
402.1900024	0.21
407.2695312	0.41
411.3575439	0.15
418.8833618	0.14
424.2233276	0.06
431.1866455	0.06
433.2902222	1.89
442.9176025	0.21
444.3350220	0.08
450.5267334	0.10
457.5261230	0.17
461.2307739	0.17
463.2736816	0.18
465.0557251	0.10
467.3079224	0.07
472.7626953	0.04
480.5130005	0.67
481.1929932	1.40
489.6729126	0.13
490.8234253	0.11
493.4811401	0.76
505.2391357	1.05
509.0335693	0.85
509.6837769	0.11
515.2860107	0.14
516.3545532	0.12
517.0753174	2.40
527.0878296	0.09
531.2521973	0.46
534.6722412	0.37
535.2750854	0.77
536.3000488	0.50
552.9276733	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	501.16
Annotation	Nocardicin B
Peak:m/z	Relative Intensity
145.0822296	0.33
177.0553131	8.94
190.9027710	0.34
195.0418701	0.03
210.8462372	0.13
224.9575500	0.04
243.0666962	4.41
255.1889343	0.52
261.1101074	0.51
265.1669617	0.11
268.3743896	0.34
269.0169373	0.19
272.7596436	0.06
279.1607056	0.12
282.1055298	0.17
287.1760254	0.20
291.1851807	0.10
297.2189941	1.22
302.9847412	0.50
304.6085205	0.08
305.9129333	0.19
310.0902710	0.20
314.4350586	0.11
317.2196045	0.08
321.0763550	5.40
339.0264587	22.12
339.6701660	0.07
354.2160034	0.29
354.9585266	0.20
361.9404907	0.05
372.1323853	100.00
397.5404358	0.28
403.3752747	0.21
409.6210022	0.11
410.3634644	0.12
411.2043457	0.24
413.5715027	0.08
426.1075745	4.19
428.3486023	0.19
429.8641357	0.19
441.3608704	0.05
444.0272827	0.12
447.2127380	0.09
451.4055481	0.06
455.4390259	0.27
459.8581543	0.05
465.3602600	0.11
467.5236206	0.24
471.3829956	0.04
472.0248718	0.28
472.8073425	0.12
474.4992371	0.25
476.7289734	0.10
483.0452576	2.14
483.7037659	0.30
489.2648621	1.17
491.4787292	0.41
492.6287231	0.42
500.7280579	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
94.91792297	0.57
96.99021912	0.84
104.9768066	0.89
109.1320801	0.57
125.0240326	0.97
135.0592041	1.51
140.7407532	0.29
142.1938171	1.59
142.9108582	0.52
144.8076782	1.04
149.1416321	0.62
155.0856171	2.23
157.044632	1.49
163.1030426	0.96
163.9232025	0.30
167.0477142	1.24
167.9390869	0.69
171.0062256	0.52
173.075058	0.44
177.1286316	1.61
178.8738098	2.08
181.1099243	1.06
183.1048279	2.46
189.052124	0.52
191.4162292	0.27
195.0700836	1.41
197.0972595	2.64
199.289505	0.87
204.8594666	0.91
207.0435486	0.75
208.9829712	1.46
210.9267883	2.53
213.0485535	0.84
215.1179504	0.46
225.1121216	2.80
227.3148193	0.78
233.3201904	0.69
235.1690674	1.01
239.23349	0.60
246.9131775	0.72
251.2631226	2.98
253.0171509	3.43
255.1762085	0.78
257.3395081	2.23
262.0227356	0.38
264.2218628	0.80
265.2735291	2.60
267.3195801	0.32
268.8339844	0.97
269.9766235	0.29
275.2142334	14.64
279.2022705	0.21
282.7741699	0.46
283.4710693	3.41
288.3179932	1.16
290.7904358	0.46
293.2091675	100.00
294.3054504	1.08
310.4169922	1.00
311.5096436	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	855.257
Annotation	Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside
Peak:m/z	Relative Intensity
246.9854126	0.31
259.1760864	0.34
265.1166382	0.08
269.0852051	0.07
334.0277710	0.16
355.1029663	0.22
362.0524292	0.15
448.2194824	0.07
453.2339478	0.14
457.3099976	0.31
469.3489380	0.13
485.5466309	0.11
499.2671509	17.02
576.2982788	0.39
679.4290771	0.08
693.2444458	100.00
706.3739624	0.50
731.0275269	0.15
734.1964722	0.06
735.3905640	0.39
739.4569702	0.12
766.4905396	0.11
809.1364136	0.18
811.3386841	0.07
819.1812134	0.16
822.2876587	0.26
832.6152954	0.59
836.8760376	1.13
837.4890747	0.29
840.4465942	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	494.81
Annotation	Unknow
Peak:m/z	Relative Intensity
227.8729248	0.08
325.3866577	0.10
348.8041992	0.11
361.1029663	0.03
388.5792847	0.07
395.7978210	0.04
404.9290161	0.21
420.9477844	0.19
421.8388367	0.11
422.8678894	0.03
430.5207520	0.21
431.4358826	0.14
432.6865845	0.11
438.6072388	0.05
445.6257019	0.30
450.0928345	0.53
451.0630798	0.07
452.2977600	0.21
453.8232422	100.00
454.6358337	0.14
458.0264587	0.28
459.3087463	0.19
466.1512756	0.43
466.7717590	0.10
467.4578552	0.16
468.4178162	0.02
471.1440125	8.24
471.8465881	2.51
472.7114563	0.25
474.0657043	1.66
476.3318787	0.47
479.1111450	0.12
480.8297729	1.80
481.7715454	0.52
482.5866089	0.19
483.9062805	0.11
484.8295288	0.09
489.2066040	0.03
490.7989807	0.27
494.6525269	1.39
495.6936951	0.26
496.2986145	0.17
497.3679504	0.09
503.7050171	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	447.0533
Annotation	Glucobrassicin
Peak:m/z	Relative Intensity
128.8532562	0.24
138.9649506	7.33
140.1777344	0.43
141.0806580	2.18
143.9804688	1.41
145.1793823	0.86
151.7387695	0.32
159.8477783	0.54
161.0704346	0.49
163.2054443	2.21
167.0882874	0.54
169.0453796	0.95
169.8368073	0.29
171.0940399	1.40
172.0008545	1.18
173.0483093	2.23
177.8236084	0.27
187.0102539	0.19
189.0535583	0.42
194.9076385	4.09
196.2429504	1.20
199.0676880	2.01
204.9405975	21.35
205.8950806	5.94
212.0122986	0.50
216.9965515	0.25
221.1824799	0.31
224.1121979	1.44
224.9352570	1.57
227.0801239	10.54
228.1782837	0.66
238.3625488	0.30
241.0910339	8.49
241.9903564	1.84
250.9872742	17.15
251.9769592	0.74
253.9110718	5.71
254.8432007	0.75
257.0617676	2.82
259.0033569	100.00
260.0855103	16.73
269.0708313	18.95
270.1631165	4.19
275.0148315	46.16
276.0110474	7.43
286.0902100	1.59
291.1001282	27.48
292.1795044	6.12
297.9330139	0.85
299.4581604	0.59
367.2330933	11.68
368.0630493	8.08
368.9653015	1.05
370.3143616	1.98
400.4913025	0.39
413.1307373	1.13
416.2885437	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	887.2989
Annotation	Rhamnocitrin 3-glucoside-4'-(3''-dihydrophaseoylglucoside)
Peak:m/z	Relative Intensity
247.0586090	0.05
264.4929810	0.14
265.1837158	0.21
267.6082458	0.08
306.0609436	0.04
309.3118591	0.04
313.2465820	0.26
321.1788635	0.06
327.0665894	0.49
334.0643921	0.11
339.1185608	1.23
343.2335815	2.37
346.0891418	0.05
357.1735840	5.02
367.1832275	15.42
374.0780640	0.09
384.2736816	0.06
385.3529053	0.15
399.2943726	0.07
405.1678467	0.18
408.6721802	0.06
423.2817383	0.16
427.2394409	0.23
487.2419434	1.13
501.0607300	0.12
505.1021118	0.36
519.2805786	0.47
579.5629883	0.06
581.6679077	0.16
633.2318115	0.57
645.2514648	1.55
662.6895142	0.56
663.3703003	2.41
665.5463257	0.09
680.9733276	0.31
689.1953735	0.09
692.3667603	0.04
695.2471313	0.33
703.6668091	0.07
718.4732056	0.05
725.3488159	100.00
735.3049316	0.05
767.0859985	0.26
778.6873779	0.07
797.4880981	0.06
799.9368286	0.08
801.3314819	0.08
822.6203613	0.09
823.5048828	0.05
824.2081909	0.07
825.6024170	0.09
840.6964722	0.07
843.3802490	0.15
851.5012817	0.05
855.2536011	0.04
857.3237915	0.62
868.1428833	0.06
869.1857910	0.80
872.2427368	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	306.0965
Annotation	Melicarpine
Peak:m/z	Relative Intensity
129.9683533	100.00
131.0668793	0.41
145.2453766	0.03
146.9847107	0.11
165.1278381	0.03
166.1473236	0.07
169.1486511	0.09
181.0812988	0.03
184.9523010	0.52
189.1692352	0.09
191.0981598	0.03
193.2769318	0.25
208.0772705	0.02
210.0135803	0.11
215.0083923	0.06
216.8972778	0.05
218.9894104	0.64
220.1829224	0.02
230.3223572	0.02
243.0535583	0.07
246.3672485	0.05
257.2324219	0.23
258.3498535	0.02
260.0281982	0.23
262.1961060	0.07
263.7865601	0.32
264.7710266	0.15
269.4169312	0.14
270.9413452	0.11
274.2737732	0.02
287.1803589	0.08
288.0258179	1.25
289.1040039	0.31
296.4956055	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	753.2237
Annotation	Sibiricose A4
Peak:m/z	Relative Intensity
215.3919678	0.04
216.8327637	0.29
218.2017212	0.06
223.1695251	3.21
224.2250671	0.16
229.9710999	0.12
231.0229797	0.28
232.3362732	0.39
233.2869263	0.15
234.0095367	0.04
237.3507080	0.04
239.2228394	0.04
245.3204346	0.31
246.5335388	0.53
247.1374207	1.72
248.1245270	0.43
259.1311035	0.18
261.1781921	0.75
263.1954956	0.09
265.1960144	0.46
266.1058960	0.05
272.3057251	0.06
273.1599731	0.10
274.1608582	0.28
275.1423340	0.04
277.1077881	0.96
278.2745361	0.20
279.2465820	0.08
287.2713013	0.11
289.2302856	7.78
290.2140503	1.10
295.0231934	0.24
305.3652954	0.09
307.1269836	0.10
322.9023438	0.31
331.0518799	0.80
332.1434021	0.19
349.1921997	0.24
367.3466797	0.30
384.5401001	0.10
385.3499756	0.02
386.1787720	0.02
408.3960571	0.03
413.2091064	0.03
427.3369751	0.95
429.0115356	0.08
432.9953003	0.02
446.1768799	0.08
451.2658691	0.03
457.2625122	0.51
458.2351074	0.10
467.1989136	0.24
471.8303833	0.04
487.3036499	0.44
488.1549072	0.09
496.5107422	0.02
498.5222168	0.02
501.0337524	0.24
511.1734009	0.62
512.4064331	0.06
515.2113647	0.60
516.4428711	0.28
529.2235718	100.00
530.2360840	19.51
530.8428955	0.09
547.0975952	0.42
548.1495361	0.04
607.3986206	0.06
675.6459961	0.03
693.2105103	0.23
699.9717407	0.14
709.3964233	0.02
710.0504761	0.06
735.2980347	0.08
736.2534790	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	503.92
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9411469	2.60
160.0245819	0.74
161.0015869	0.81
198.8939514	0.22
199.9550171	0.27
201.0451660	0.18
202.0418091	0.07
217.0290527	0.09
218.1703491	0.28
219.0273438	0.15
228.9870758	0.32
230.2271576	0.13
230.9685974	0.35
232.0288544	0.14
272.9950562	29.68
274.0323486	16.40
275.0042114	32.81
276.0533447	5.01
302.0799255	0.07
327.1014404	0.02
347.0517273	0.17
387.0144958	23.50
387.9762878	24.20
388.9966736	100.00
390.0116882	31.32
413.9355469	0.12
430.0581360	0.36
431.1054382	0.07
447.1651001	0.09
448.0035095	0.08
456.7857361	0.02
458.0145264	0.32
458.9151306	0.95
459.9523010	0.02
474.8498230	0.10
475.7568054	0.06
502.4559937	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	604.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
173.9693756	0.03
175.3178101	0.11
182.8770905	0.05
195.1854858	0.03
200.0200500	0.48
201.9566956	6.68
217.9770813	2.35
219.0691986	0.34
240.9917450	0.11
244.3459778	0.02
245.6579590	0.04
249.1578674	0.06
257.2183228	0.02
258.9602661	0.24
259.9468384	0.04
262.0567627	100.00
263.2166443	0.06
274.3046875	0.22
282.1766357	0.03
290.1776123	0.06
300.1780701	0.06
317.1334534	0.24
317.9158936	0.09
323.2793579	0.12
324.1676636	0.09
328.6944580	0.06
339.3869019	0.03
340.6435547	0.12
344.1632080	0.13
345.4683838	0.08
346.4270020	0.15
347.0886841	0.69
361.2694092	0.06
361.9484863	0.20
364.1091309	0.19
377.1763306	0.28
380.2769165	0.05
383.1138306	1.06
384.3099365	0.02
389.1120605	0.62
390.4568481	0.05
401.4266357	0.06
408.9606323	0.02
411.4088745	0.23
415.3168945	0.03
421.2192993	0.03
422.0959473	0.07
423.7997437	0.02
424.4399414	0.10
430.3248901	0.07
438.9019775	0.13
439.5307617	0.03
441.1058350	0.10
442.1485596	0.87
455.7960205	0.10
471.1999512	1.12
472.2803345	0.63
484.1183472	0.03
487.1469727	0.13
488.1491699	0.13
489.3995972	0.12
494.1729736	0.48
498.9824829	0.10
500.9804077	0.06
506.3523560	0.09
511.0504761	0.03
513.1626587	0.18
514.2938843	0.10
517.2800903	0.15
524.0061035	0.06
525.2271118	0.68
526.1477661	0.11
543.2516479	2.97
544.2029419	1.69
557.9108276	0.09
560.1538696	0.90
561.2377319	0.06
567.9909668	0.17
571.2880249	0.89
573.1382446	0.07
585.3862915	0.05
586.0078125	0.06
586.6246338	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	535.0367
Annotation	UDP-D-Xylose
Peak:m/z	Relative Intensity
151.0037231	0.07
177.1625519	0.03
182.1983032	0.12
211.0446167	1.76
236.1302795	0.03
252.4462128	0.04
268.1578979	0.10
280.1541748	0.44
291.0300293	0.51
305.1429443	0.17
308.6464233	0.33
310.5516968	0.03
323.1744995	100.00
350.8063965	0.10
359.1083374	0.33
362.2994385	1.33
373.0983276	0.09
378.2542114	0.04
385.1751709	2.01
391.1091919	0.05
398.8092651	0.22
403.1361084	4.47
426.1212769	1.00
437.1868286	0.15
449.4701538	0.03
450.9313354	2.87
451.7260742	0.09
466.9644775	0.14
474.7667847	0.04
488.8539429	0.04
508.0574341	0.07
517.1445312	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	636.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
289.0675049	0.29
346.3138428	2.85
359.2693481	0.36
389.3043213	0.09
391.0318604	0.24
443.9053955	0.63
445.9513550	33.05
446.6832886	0.16
462.0518188	0.18
487.9352417	0.31
490.0087280	100.00
490.6764526	0.24
492.0878906	0.39
505.5816040	0.16
520.3793945	0.06
544.2604980	0.19
589.9786987	0.78
599.8059082	0.14
604.2546997	0.09
606.3790894	0.10
617.9989014	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	883.01
Annotation	Unknow
Peak:m/z	Relative Intensity
259.1323242	0.12
272.0153198	0.04
275.1205750	0.14
290.9949951	0.03
342.0360718	0.17
358.1203003	5.49
407.0203247	0.20
422.0734863	100.00
424.1368408	0.02
781.7169800	0.02
819.2295532	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	707.1819
Annotation	Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside)
Peak:m/z	Relative Intensity
316.2929077	0.05
337.2785034	0.07
348.2828369	0.03
353.1356201	100.00
354.2003174	5.81
370.1741333	0.19
389.3378296	0.06
391.1050415	1.56
408.2719116	0.15
411.1571045	0.22
425.3750610	0.14
433.0783691	0.08
445.1597290	0.33
518.1454468	0.20
529.2031860	0.16
533.2347412	0.17
544.5396118	0.04
545.2459106	0.23
565.3118286	0.09
580.6376953	0.43
588.0086670	0.11
649.0541382	0.13
662.0205078	0.61
663.1654663	0.12
664.3025513	0.17
666.2667847	0.55
671.2211304	0.30
675.2690430	0.23
678.2285767	0.08
690.2290039	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	379.1055
Annotation	Drosophylloside
Peak:m/z	Relative Intensity
109.0743713	0.06
110.8441010	0.02
113.0387726	0.13
114.8361511	0.09
119.1116638	0.03
125.2113724	0.02
127.3571854	0.03
137.1453247	0.10
139.1180420	0.05
145.1760406	0.02
155.2112274	0.17
156.0773315	0.06
157.1158447	0.15
161.0648804	0.10
164.9340515	0.04
168.9832458	0.35
171.1648865	0.06
173.0399475	0.48
181.0016479	0.06
185.9761047	0.17
187.1168976	0.29
191.0607758	13.38
191.8709412	0.14
198.1503143	0.16
199.1208496	1.11
204.0959473	0.04
205.0982056	0.47
214.8608704	0.01
216.1477509	6.03
217.0759583	25.91
218.2342224	0.05
221.1354370	0.02
223.3371277	0.06
227.1392822	0.11
233.5324402	0.13
235.1982727	0.63
239.1762695	0.03
240.2801514	0.06
240.9027405	0.04
245.0807495	0.45
247.0775757	0.35
256.2483215	0.05
257.1993713	0.08
258.0900269	1.08
259.2010498	5.13
262.2018127	0.02
263.4279785	0.03
264.0743713	0.10
270.9582520	0.25
275.2348328	0.01
277.2517090	0.06
278.4351807	0.10
286.3114624	0.04
288.1675415	23.99
289.1269531	100.00
298.1194153	0.03
299.2377930	0.14
300.1807251	0.19
301.1591492	0.31
304.1830750	0.04
305.0722046	0.06
306.1638184	0.04
307.2658081	0.08
313.3887634	0.04
315.1696777	0.08
316.3854065	0.40
317.4423828	0.96
318.3043823	5.08
319.1383667	21.17
319.9191589	0.01
330.5934753	0.18
331.3908691	0.32
333.0762939	0.15
334.3848267	0.24
335.2765808	1.51
341.3203125	1.77
342.2858582	0.53
343.2106323	0.29
348.1939392	0.88
349.1509399	4.18
349.7643738	0.01
351.2406616	0.01
360.1911926	0.51
361.2583618	1.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	401.1085
Annotation	10-Dehydrogardenoside
Peak:m/z	Relative Intensity
126.9985199	0.01
130.2205658	0.07
132.9931641	0.26
139.3745728	0.08
149.0089569	0.05
151.0682983	1.74
156.9661865	0.09
161.0109558	0.21
173.0682983	0.12
175.0967102	0.33
190.8917542	0.05
193.1987762	0.05
205.0348511	0.31
207.1202698	0.03
208.9299469	0.03
215.3251190	0.05
220.8883820	0.15
223.0863037	0.15
225.1206360	0.37
228.2500000	0.06
231.1713867	0.97
240.9929504	0.03
249.1778564	18.32
252.1249695	0.18
253.0195618	0.04
259.0987549	0.04
264.4071045	0.05
265.1755676	0.06
267.1019592	100.00
267.9350891	0.25
281.3884277	0.04
286.1829529	0.02
292.3440552	0.38
298.2565002	0.06
300.3728027	0.05
303.3837891	0.03
315.1796570	0.02
321.3708191	0.05
323.3294678	0.03
328.9557495	0.03
336.4414368	0.06
339.0788574	0.31
341.2019043	0.63
354.1843567	0.02
355.2686768	0.03
356.1629639	0.15
357.2705078	0.18
363.0965881	0.06
365.3699646	0.32
369.1653137	0.02
373.1939087	0.25
381.1716003	0.03
383.2419739	4.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	407.1257
Annotation	Isochromophilone VII
Peak:m/z	Relative Intensity
125.0618820	0.21
132.9425354	0.41
145.0238342	0.10
146.1516724	0.36
150.0316010	100.00
153.0744171	1.30
170.9401855	0.28
184.0604553	2.04
229.3538208	0.13
242.1503296	93.35
284.0372925	0.24
308.1993408	0.18
329.0115356	0.10
348.1351624	0.58
376.1768188	0.09
407.2302856	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	607.254
Annotation	Phaeophorbide b
Peak:m/z	Relative Intensity
201.3790283	0.03
224.1262360	0.04
230.0608368	0.08
234.2504120	0.04
247.5832977	0.02
253.3069305	0.06
269.2592163	0.08
270.0897827	0.06
279.2149048	0.11
294.2005005	0.05
295.0481567	0.02
307.3624878	0.08
318.9120483	0.02
342.3892212	0.06
354.2530518	0.02
355.2389526	0.07
357.4594116	0.02
370.4090576	0.03
372.2190552	0.05
380.2068481	0.02
382.6431274	0.06
387.2275391	0.03
400.0527344	0.03
402.3059692	0.02
407.4825439	0.04
418.9684448	0.02
422.2589722	0.08
427.2714844	0.11
433.2426758	0.08
435.3811646	0.04
443.1911621	0.11
444.0039673	0.03
446.3974609	0.13
447.4742432	0.03
452.5606689	0.03
462.5827026	0.13
465.2258301	0.02
468.2318115	0.06
475.2867432	0.47
476.5300293	0.05
477.2675171	0.08
483.4848633	0.06
485.1373291	0.09
487.1371460	0.09
489.3514404	0.05
490.5349731	0.05
491.3980713	0.11
492.4494019	0.39
493.1042480	0.04
497.3005371	0.06
501.4703979	0.46
502.5645752	1.78
503.6039429	0.65
505.0435181	0.14
507.4331665	0.07
509.7533569	0.04
511.9909058	0.07
513.5282593	0.26
516.5505981	0.08
518.0501099	0.31
518.9158325	0.31
519.9010620	0.50
520.5784302	0.32
522.4498291	0.03
525.5734253	0.08
529.4860840	0.52
530.6909180	0.86
531.4385376	3.80
532.6210327	0.43
533.4871826	0.12
534.4045410	2.62
535.5153198	0.40
539.3919067	1.83
540.4407959	0.43
543.0908813	0.04
543.8218384	0.10
544.8907471	0.02
545.6381836	0.37
547.3451538	100.00
548.3504639	25.83
549.4210205	2.20
551.4495239	1.14
552.5971069	0.03
557.4179077	0.24
558.3810425	0.04
561.2255859	0.45
563.3157959	0.40
564.5078735	0.20
571.2442627	0.20
575.3020630	5.30
576.3267212	0.35
579.3120728	1.88
580.4559937	0.53
589.3057251	5.71
590.2940063	0.29
591.4600220	0.03
592.3583374	0.17
593.4866333	0.18
598.0425415	0.05
606.7640991	0.06
608.0437622	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
91.08245087	0.84
97.01652527	0.69
106.9046021	0.71
109.3281403	0.61
110.8621979	0.16
112.9726715	0.70
115.1781464	1.27
134.9006195	0.41
136.9526367	0.20
139.0189056	1.58
141.0342712	1.28
148.9593506	0.71
151.1034851	2.68
153.0411072	0.20
154.9438477	1.34
159.118866	1.27
163.0063782	1.50
164.9795227	1.66
167.0860443	2.38
169.2110901	0.32
171.0862579	2.34
177.0166168	1.11
179.0050201	2.66
181.3258667	1.43
183.0840302	2.26
191.3187561	0.36
193.165863	1.23
193.8895569	0.28
195.1565552	2.53
197.028595	2.26
199.1648865	0.45
203.8483276	0.39
209.2879944	0.70
211.0497437	8.46
213.0548096	1.83
215.2421875	0.31
217.3427124	0.88
218.0919495	2.47
218.951416	0.38
221.2893982	0.58
223.1250305	1.36
225.2763062	2.11
226.1169128	1.53
227.2757874	0.68
229.2871704	0.46
233.3533325	2.58
235.0299683	1.68
237.1659851	0.47
239.0104065	1.17
247.3666077	0.83
249.2958984	0.96
251.0400696	3.01
253.0142517	4.72
254.5307007	0.57
257.3506165	1.51
265.2084351	3.11
266.0171509	0.36
267.0931396	2.49
267.9203491	0.25
269.2005005	3.05
270.3191528	0.66
275.1026611	9.64
279.3736267	1.07
283.2690125	3.12
288.3733521	0.52
293.2038574	100.00
294.3507385	0.14
302.024353	2.13
307.0445251	0.42
321.0683594	0.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	332.1333
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
105.8905334	0.05
108.0113831	0.94
114.8562927	0.02
124.0322723	0.06
134.0525513	0.26
135.8353271	1.63
138.3031769	0.04
150.0956116	0.04
152.0591278	4.55
153.9020081	0.16
164.0510254	0.04
166.1800385	0.03
170.0783081	6.21
185.3048706	0.02
186.0943146	0.10
194.1876831	0.05
212.4324951	0.03
231.8245850	0.08
233.3022461	0.02
234.2647705	0.03
252.1457520	0.01
263.0525513	0.02
268.1077576	0.10
278.2557068	0.08
296.1115723	0.19
302.3968506	0.10
314.1623230	100.00
314.7650757	0.27
324.3250732	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	929.2714
Annotation	2-Feruloyl-1,2'-disinapoylgentiobiose
Peak:m/z	Relative Intensity
259.0530090	0.42
260.2630615	0.29
262.5151062	0.04
265.1877136	0.15
266.3450012	0.13
272.2680359	0.01
276.3029175	0.09
277.0599365	0.26
278.3073425	0.09
281.3777466	0.05
284.2538757	0.03
287.1438599	0.47
288.0398560	0.20
289.1400146	1.68
290.2500610	0.10
295.0267029	0.20
296.3668823	0.07
301.1702271	0.22
302.0768433	0.04
306.2586670	0.09
307.1444702	0.07
313.2477417	0.20
314.3177490	0.10
315.2666016	0.03
319.8215637	0.03
321.1588440	0.03
325.1426697	0.40
326.1886902	0.03
331.4349670	0.29
332.2674866	0.25
333.1935730	0.06
338.4528809	0.04
344.2542114	0.08
352.9806824	0.04
355.3003235	0.03
356.2826538	0.04
360.4371338	0.04
367.2514343	1.10
368.2643738	0.28
369.4439392	0.12
371.2343445	0.18
382.2021484	0.02
384.7294922	0.34
385.3516235	1.20
386.1584473	0.40
389.9963379	0.03
401.4363403	0.04
404.4173889	0.06
413.0725708	0.29
414.1204834	0.14
426.1720581	0.02
427.3188477	2.92
428.3152466	2.41
429.3064575	0.33
430.0765381	0.21
439.0977783	0.08
440.6460571	0.03
442.1872559	0.07
449.3024292	0.06
454.2266235	0.03
455.1110840	0.18
457.2221069	2.09
458.2511597	0.89
459.4033813	0.04
462.5050659	0.03
463.3782349	0.03
465.3610229	0.03
467.4008179	0.13
468.3752441	0.67
469.2413330	3.30
470.1987305	2.03
471.3337402	0.18
473.2835083	0.03
474.1145020	0.06
479.4301758	0.24
480.1564941	0.06
481.2565918	3.05
482.2764893	2.23
483.2288818	0.30
485.1622314	0.08
487.2056885	1.81
488.2767944	1.58
489.3186035	0.46
493.0962524	0.03
494.3229370	0.52
497.3029785	0.21
498.4089355	0.33
499.3165283	3.35
500.2359009	4.30
501.3228149	0.22
511.2538452	4.43
512.2415161	7.32
513.1868896	0.07
515.1889648	0.04
516.3864746	0.31
526.8749390	0.11
527.5963745	0.07
529.1467285	2.27
530.1632080	2.57
531.1364136	0.14
561.1764526	0.13
562.2520752	0.34
592.0363159	0.27
599.9588623	0.05
603.4404297	0.04
615.2208862	0.07
621.4000854	0.11
628.1243896	0.13
633.1343994	0.48
634.3242798	0.92
635.4594727	0.26
644.1676636	0.13
646.6575928	0.05
650.3012695	0.07
661.3139648	0.04
663.3474731	0.41
664.2597046	1.02
665.3682251	0.17
669.2937622	0.04
670.4486694	0.10
676.3692017	0.08
677.1351929	0.07
679.9093628	0.02
687.1107788	0.08
688.3225708	1.86
689.0880737	0.29
690.8832397	0.35
692.1941528	0.76
693.5369263	0.09
694.3287354	0.86
695.2481079	0.13
700.2931519	0.07
705.2420654	37.39
706.2055054	100.00
707.2796021	13.16
711.4841919	0.03
717.0011597	0.05
718.2951050	0.22
719.3295288	0.08
720.2709961	0.09
723.2960205	1.07
724.3305054	3.34
725.3308105	0.37
735.1876831	1.48
736.2470703	3.88
737.0482788	0.57
737.6784058	0.01
753.4400024	0.07
754.1544189	0.18
754.7653198	0.02
762.1382446	0.03
822.7887573	0.06
841.4132080	0.06
852.0772095	0.03
867.3142090	0.04
870.8435059	0.11
894.3732300	0.19
911.2237549	0.04
912.0853882	0.71
913.1471558	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2874
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
127.1077728	9.85
145.1504974	7.31
151.0722656	8.90
159.2423859	1.38
167.0455933	6.53
169.2954712	7.07
171.132782	3.58
174.7752991	5.94
179.1367035	2.27
185.2458344	5.42
189.2521973	3.02
198.7076111	19.88
223.2811584	2.46
243.3523254	3.99
270.0878906	8.73
271.3486938	6.93
280.6790771	15.56
281.3934326	11.83
282.0644226	1.91
288.1933289	3.56
294.1627197	6.86
295.2215576	8.60
311.2421875	4.11
319.374939	6.85
324.8492432	3.02
326.2101135	26.35
339.1049805	16.86
342.03125	4.33
352.6224365	19.89
356.237854	20.15
357.203125	15.05
363.4759827	2.80
367.4035339	10.89
376.8287048	10.41
378.9263611	11.76
379.9348145	3.23
381.4093323	2.03
382.4058533	1.79
385.29776	16.06
395.3144531	13.74
398.2126465	17.16
408.2745056	100.00
409.2453308	26.39
423.0252686	3.41
425.5049133	7.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	665.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
192.1764221	0.04
207.7559204	0.04
210.9065247	0.20
214.2026062	0.20
228.9202881	0.22
239.8808746	0.11
241.1560974	0.03
255.3058929	0.18
259.1299133	0.16
266.0863647	0.11
273.0973206	1.66
274.4996338	0.15
275.1688843	0.27
299.0690613	0.22
301.3101196	0.09
306.1431885	0.79
307.0917358	0.21
313.1261597	0.22
314.6241455	0.11
317.3041992	0.25
324.1044312	0.26
328.1252441	1.84
335.1130371	0.30
344.3413086	0.18
346.1343994	2.50
347.1036987	0.35
355.8413086	0.12
356.9769287	0.19
358.0668335	100.00
359.1268311	0.74
360.0875854	0.19
377.2374878	0.08
389.1443481	0.12
391.5714722	0.05
397.1961060	11.00
398.2342529	2.18
403.8915405	0.06
404.4927368	0.07
408.1334229	10.19
409.1135254	1.69
416.3268433	0.09
426.0627441	0.18
431.2709961	0.09
436.0177612	0.17
445.8959351	0.08
452.1280518	0.08
455.1557617	0.08
471.3424072	0.44
472.3814697	0.87
473.0452271	0.78
473.9428711	0.29
479.1253662	0.14
491.0459595	0.13
496.3938599	0.21
497.4403687	0.31
498.1658936	0.16
518.5823364	0.25
526.4514771	0.17
528.8074341	0.17
529.4542236	0.09
531.5393677	0.11
535.2809448	0.17
536.2756958	0.29
545.7185669	0.29
557.2133789	0.26
560.2944336	0.22
564.4893188	0.74
566.1729126	0.86
585.2132568	0.21
589.2683716	0.11
590.9147949	0.18
600.2058716	0.15
601.1276245	0.05
603.2456055	0.13
604.9720459	0.40
619.8851318	0.36
620.6636353	0.30
621.4393311	0.33
646.5488892	0.20
647.4249878	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	494.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
142.8761444	0.21
153.0503998	0.11
165.1944427	0.03
175.0342102	0.22
177.1905975	0.27
178.9212646	0.18
179.8765869	0.06
185.0023804	0.12
187.7962952	0.29
196.1067505	0.04
197.2576294	0.06
209.7994690	0.20
223.1849976	0.57
223.9313507	0.04
236.2002869	0.07
244.2213440	0.46
253.2731628	0.13
254.2132874	1.97
272.1922607	3.42
285.1386108	0.15
286.1037598	0.23
288.0881348	1.80
295.5534058	0.18
297.4194946	0.10
298.4251099	0.09
303.8385620	0.09
306.2087708	100.00
319.3825378	0.32
323.9895630	0.12
331.2133484	0.82
332.2832642	0.39
345.2192688	0.11
359.3883057	0.11
364.9978638	0.06
373.6065979	0.08
376.3727112	0.26
378.2534790	0.43
382.2229004	0.15
387.9266663	0.05
406.1009827	0.11
409.2247009	0.05
419.1155090	0.13
420.2693176	0.03
432.1747437	0.11
433.7816467	0.50
446.1920471	0.13
447.7745972	0.59
448.3752136	0.08
449.6169128	0.12
450.4435120	0.92
451.4384460	0.56
456.4955444	0.19
458.0703430	0.08
463.3116760	0.20
464.2914429	0.03
465.8128662	0.18
466.9723511	0.09
471.4270630	0.47
473.3908997	0.20
475.3427124	0.44
476.5458679	0.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	504.92
Annotation	Unknow
Peak:m/z	Relative Intensity
155.0376892	0.07
159.0502472	2.21
160.0372314	1.46
160.9883881	2.62
162.0149841	0.22
199.0024719	0.13
199.9789429	0.10
200.9198608	0.47
201.9634094	0.48
202.8911133	0.04
218.9262390	0.06
229.5264893	0.76
230.1288300	0.16
231.1142273	0.76
231.9363403	0.36
232.6733246	0.09
244.9923553	0.22
273.0664368	19.23
274.0130005	26.87
274.9800720	46.53
276.0086365	17.55
276.9466858	7.36
277.5574036	0.11
386.9436035	3.41
387.9440613	38.22
388.9786682	85.84
389.9168091	100.00
390.9311218	49.45
414.0834045	0.33
414.9387207	0.02
430.3338318	0.34
431.4298096	0.10
442.1044617	0.18
448.1315613	0.07
457.9365540	0.17
458.8828430	1.90
460.0085144	0.87
477.0505676	0.23
486.9409790	1.76
504.6797180	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
80.95103455	5.26
87.02462006	2.71
96.64344788	0.77
105.0334015	0.56
109.2097626	2.06
122.1464539	0.82
134.2731323	1.49
148.8653564	2.02
149.8715668	1.51
151.1976166	1.45
155.1325531	2.01
160.9710388	4.76
166.9531555	1.30
179.1800385	0.85
181.1569519	1.45
183.3559723	0.77
192.8990326	2.64
194.2587433	4.08
195.2891235	11.92
197.4209747	0.87
205.8999481	3.85
207.1967468	25.80
208.2123566	7.59
209.0628815	6.27
209.8544006	0.95
214.8765717	6.76
215.9383698	1.06
219.2088165	3.24
221.1590729	1.24
222.1352997	2.53
223.0008545	21.18
224.200943	3.60
233.0341034	22.08
235.2038422	2.47
251.064621	100.00
252.0943146	5.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	500.9195
Annotation	Unknow
Peak:m/z	Relative Intensity
155.0976257	0.11
159.0441437	2.83
159.9756317	0.47
171.1152649	0.05
173.0582581	0.02
199.0003967	0.41
200.2223206	0.03
216.9779968	0.11
229.0596924	0.72
230.0184174	0.24
272.9878845	52.29
274.0812988	13.17
384.9924011	0.10
386.9796448	100.00
388.0161743	38.73
427.2245789	0.07
427.8630981	0.01
429.1742249	0.05
455.0791321	0.02
458.1891785	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	501.92
Annotation	Unknow
Peak:m/z	Relative Intensity
155.1311646	0.02
158.9465027	3.01
159.9219513	0.30
199.0774536	0.54
199.9201355	0.03
201.2139587	0.04
217.0242615	0.14
218.2003326	0.07
229.0975647	0.67
230.2778931	0.09
245.2862244	0.03
271.1571045	0.02
272.9947815	51.27
274.0017090	11.81
343.0915222	0.02
384.9017639	0.04
386.9367371	100.00
387.9519043	36.73
388.6164246	0.06
427.1088257	0.15
428.0043030	0.06
457.9124451	0.03
474.2348022	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	362.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
110.9109268	6.74
114.8955231	0.10
129.0672607	0.14
130.9255676	0.14
132.9794312	1.09
148.2069702	0.17
172.9721222	0.77
189.0184631	0.08
190.9673767	100.00
199.9853210	0.04
200.9141541	0.09
210.9550629	1.10
212.3330994	0.14
227.0121155	0.11
229.0781860	0.05
230.7330933	0.06
234.1059265	0.24
242.1430969	0.10
249.1835022	0.10
253.0402222	0.09
256.8610840	0.23
257.5897522	0.07
259.0366211	4.67
261.2135925	0.09
262.2108765	0.05
263.3139038	0.05
271.1520386	0.31
273.2066345	0.07
275.1509399	0.25
285.2514648	0.07
291.1185303	0.10
300.7350464	0.09
303.0693970	2.00
306.2734985	0.40
318.8766479	0.66
327.1423950	0.05
332.6925659	0.14
344.2433167	0.05
345.1106873	1.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1059.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
321.3630981	0.09
391.2349243	0.15
439.1743774	0.21
481.1698914	0.37
493.2165833	0.32
498.4602966	0.09
511.4861145	0.12
531.5411377	0.10
538.8236084	0.32
540.0875244	0.26
541.3975830	0.36
552.9814453	0.12
564.4002686	0.18
565.2336426	0.48
582.0937500	0.21
583.6099854	0.19
584.3228760	0.12
601.0343018	0.09
613.2218628	0.29
615.2983398	0.51
644.2392578	0.09
646.7432861	0.26
648.3399658	0.15
676.3060303	0.11
687.2711182	0.60
705.0330811	0.17
717.1278687	0.67
726.7849121	0.07
728.8442993	0.12
734.9266968	0.87
739.9739990	0.25
745.5106201	0.35
747.1623535	2.23
748.5185547	0.16
749.3102417	0.52
759.5174561	0.19
775.3038330	0.21
776.3673706	0.26
777.0724487	0.38
788.3312988	1.54
789.2385254	3.77
791.0292358	0.76
791.6403198	0.08
793.3582764	0.42
794.2349854	0.27
806.2062988	2.26
807.1997070	5.60
818.1416016	0.64
819.2727051	0.14
832.9049072	0.05
834.2846680	0.27
835.2933350	3.62
852.1459961	1.86
853.3066406	0.17
941.5678711	0.41
947.1865234	0.60
952.0489502	0.56
953.1414795	2.38
960.2584229	0.05
982.3408203	0.40
984.0572510	0.84
998.0083008	0.13
1012.3607180	14.57
1013.1665040	100.00
1014.2656250	2.26
1015.2889400	1.62
1041.4667970	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.1137
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
109.0456772	0.02
110.8889771	0.05
113.0511551	0.07
160.9065552	0.01
163.3665924	0.14
164.0242004	0.53
167.0685730	0.02
170.7998962	0.03
179.0088806	0.57
180.2634277	0.03
189.9620209	0.01
191.2236633	0.07
193.0291443	0.06
205.1119385	0.12
208.1608276	1.38
221.4909973	0.16
223.0578766	100.00
229.9914246	0.02
232.1511841	0.08
235.1808167	0.02
237.0459900	0.05
243.2770386	0.02
245.3323975	0.11
247.1375732	16.57
254.2400818	0.03
259.4372253	0.06
263.3288574	0.09
265.1096497	1.64
271.2607117	0.01
277.1043091	0.53
282.9676819	0.01
287.2651367	0.04
289.1952820	0.43
293.1824951	0.06
294.9513855	0.37
303.1411743	0.05
305.2813416	0.16
306.7040405	0.20
311.2120361	0.02
315.9208679	0.04
317.0648499	0.03
320.2393799	0.05
325.1423950	0.30
327.2338867	0.01
329.0222168	0.04
333.1520386	0.06
338.0941162	0.01
339.1084900	0.04
339.8080139	0.03
341.0470581	0.21
356.8211670	0.13
367.1929932	3.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	607.2563
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
229.2053223	0.19
230.9822540	0.05
253.3677673	0.09
255.1282806	0.10
258.5046387	0.12
285.3323975	0.45
298.7961426	0.09
300.2605286	0.16
307.2016602	0.32
321.3782654	0.14
339.4629517	0.08
343.3605957	0.20
377.4869385	0.34
396.9077759	0.09
398.2572021	0.44
401.2825928	0.09
410.3231812	0.42
412.4883423	0.18
422.5407715	0.11
452.7936401	0.34
461.1393433	0.42
471.5914917	0.29
479.5434570	0.11
483.3352661	0.11
489.7006836	0.05
491.3831787	0.52
496.0992432	0.07
503.5377808	0.36
505.7662354	0.32
507.4149780	0.18
508.2775879	0.10
513.6267700	0.28
517.5394897	0.07
523.1343384	0.13
524.1887817	0.04
527.4080200	0.11
531.3707886	100.00
532.0116577	0.19
533.4686890	0.37
534.5510254	0.20
535.3565674	0.44
539.3735962	0.08
543.1823120	0.77
544.4274902	0.33
545.3784790	0.26
546.7664185	0.21
548.1094360	0.28
549.6966553	0.69
551.3367920	0.36
552.0557251	0.16
552.7560425	0.10
553.4743652	2.14
557.2304688	0.18
559.7479248	0.11
561.4375610	1.01
563.1323242	2.00
563.7346802	0.28
564.4837036	0.06
571.5101929	0.54
572.3997192	0.16
575.2274780	81.95
579.6075439	0.57
587.2106323	0.05
589.0334473	1.90
589.7130127	0.26
591.3223267	0.08
607.5487671	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	280.87
Annotation	Unknow
Peak:m/z	Relative Intensity
110.9989929	0.08
125.9644012	0.04
148.8904724	0.08
155.3020020	0.10
164.0179901	0.19
167.9668884	0.04
174.7979584	0.08
182.7464905	0.25
194.2581177	0.16
196.1709900	0.06
199.1168823	0.22
204.8395996	0.10
214.2727661	0.11
215.9221191	0.22
216.9412537	0.21
218.8777771	0.31
221.0366211	0.34
222.9556274	0.24
227.1361694	0.04
232.9079590	0.11
233.9021301	0.13
235.0836182	0.69
236.7069397	0.50
237.3398743	0.31
238.9227905	0.44
239.9391174	4.18
243.8427124	0.07
246.0060730	0.33
249.0620117	1.56
250.9221802	0.15
252.0628967	0.31
252.8686218	0.41
256.8903809	0.08
258.5407104	0.25
260.0488586	6.16
260.9578857	1.12
262.8338623	100.00
263.6763306	0.04
265.1306152	24.24
265.9594421	0.28
267.3002625	1.46
268.8192139	3.94
269.7905273	0.47
271.5271606	1.18
272.5028076	0.40
276.2317505	0.12
277.6616211	0.13
280.8160095	11.82
282.8414001	1.98
283.5455933	0.63
285.6189575	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	353.2679
Annotation	[10]-Gingerdiol
Peak:m/z	Relative Intensity
104.9374695	0.25
106.9389420	0.06
108.9799347	0.48
111.0383148	0.22
113.0321503	0.19
115.2381744	0.09
118.9785233	0.67
121.0946350	1.48
122.9039383	1.72
125.0363083	0.53
126.8662415	0.07
128.9935608	0.24
131.0229187	0.35
133.0276794	0.43
135.0942535	2.44
137.0901947	0.81
138.8903961	0.47
141.1015625	0.16
142.9184723	0.18
145.2522583	0.95
147.0363159	2.07
149.0593414	2.38
151.0246277	1.41
151.9620972	0.05
153.1687317	0.26
155.1712036	0.11
157.1196594	0.31
159.0411072	1.90
160.0431824	0.04
161.1092224	1.22
163.0895386	3.28
163.7814789	0.09
165.1666260	1.21
167.1298523	0.23
169.0508881	0.24
171.1777954	0.15
173.1674500	2.82
175.1005402	1.05
177.0892029	2.72
178.8139954	0.81
181.0287170	0.31
183.2300720	0.40
184.9012756	0.25
187.1603699	3.59
188.8251343	0.38
191.0906525	0.74
193.1132202	0.24
195.0236816	0.30
197.0828705	0.64
199.1110229	0.10
201.1905670	1.39
205.0704956	0.71
207.2321777	0.08
209.0217743	0.55
211.1551819	0.04
215.1108093	1.11
217.1044312	0.53
219.2427368	0.58
220.9874878	0.15
223.3114624	0.46
225.3484802	0.13
228.9939880	0.24
231.2342529	0.44
233.2004700	1.10
235.2975464	0.15
237.0354919	0.56
238.0977173	0.06
241.1514587	0.18
243.2960205	31.92
245.3092651	1.71
246.9950562	0.06
251.3717346	0.09
253.2099304	0.04
255.4728699	0.12
257.0487671	0.29
258.9703369	0.23
259.6991882	0.07
261.2175903	100.00
263.3079224	4.06
265.2378540	0.69
267.3308716	0.13
269.1206970	0.43
271.0375061	0.78
273.3465271	0.71
275.4107971	0.87
277.3191223	0.65
277.9759521	0.04
279.3328552	9.43
281.2973022	0.61
283.3071594	1.14
287.2170715	0.18
291.3541565	0.39
292.3661499	0.11
293.2416992	0.51
295.4738159	0.09
297.1564636	1.49
297.7828674	0.10
299.4201050	0.99
304.2097778	0.07
305.4608765	0.12
307.2027893	0.03
309.8750916	0.80
310.7233276	0.27
311.6488953	1.65
312.5103149	0.18
317.3032837	3.92
318.1760254	0.04
319.3214722	0.15
326.4039307	0.10
329.7882690	0.22
335.2866821	65.91
336.2653198	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	465.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
141.1728516	0.05
160.2434387	0.20
177.0885162	0.47
179.1534119	0.13
210.1228333	0.56
231.0968475	0.19
254.1068420	2.25
263.2943420	0.03
272.2646484	2.49
286.0884399	0.11
288.1727600	2.06
302.2067871	0.03
303.1481323	0.06
306.0894165	100.00
318.4626465	0.03
326.2340088	0.11
329.1247559	0.07
362.8757324	0.04
364.9628906	0.02
375.5629883	0.17
379.2992554	0.12
385.3890076	0.04
397.3448181	0.03
401.1072998	0.04
403.2138977	0.04
404.2143555	0.10
405.5469971	0.22
406.7802734	0.05
419.2244873	0.36
421.5134583	0.12
425.1411438	0.08
428.2737122	0.04
429.0772095	0.24
433.3471985	0.04
447.2453918	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0874
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
100.917984	0.05
108.0665817	0.06
111.0208282	0.37
112.074791	0.08
117.8585052	0.07
133.0663452	0.05
135.000412	5.97
136.027832	3.67
137.0719604	0.08
143.0805054	0.03
145.040802	0.06
147.2488098	0.07
155.2301025	0.02
161.0418396	1.23
162.0270386	0.47
171.4421387	0.03
172.9351044	3.43
174.0211182	1.67
175.1024323	0.59
176.052063	0.71
179.0065308	36.57
179.9832153	26.72
188.0320587	0.04
189.0858917	0.80
189.9281921	0.50
191.0524292	100.00
192.0237732	46.34
204.4468079	0.04
211.0059204	0.02
216.1383362	0.06
217.2524109	0.08
219.3081055	0.04
220.3034363	0.05
224.9200745	0.06
233.0976868	0.65
234.1017456	0.31
246.3024902	0.05
254.1663513	0.09
261.1990356	0.03
263.1029053	0.07
266.2417603	0.11
276.4712524	0.17
281.2442627	0.13
282.0557251	0.08
288.0237732	0.07
291.9162903	0.07
294.2022095	0.04
296.209259	0.13
307.1826172	0.04
308.1565857	0.66
309.0599365	0.16
310.1766663	0.08
335.8013	1.08
336.525238	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	616.9
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1315308	0.02
217.9148560	0.12
228.6817322	0.03
230.0204163	0.07
272.9864807	9.11
273.9613342	4.11
274.9148560	2.25
313.1826782	0.13
385.2077637	0.04
386.9747925	13.88
387.9501953	12.27
389.0341187	14.03
460.3150024	0.11
500.9379272	43.41
501.9381104	75.71
502.8937988	100.00
503.5744629	0.82
525.4406128	0.06
532.1673584	0.10
542.7733765	0.08
570.2974243	0.20
571.2035522	0.25
583.4307251	0.06
589.0017090	0.03
591.1875000	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
96.81626892	0.18
101.2603455	0.25
106.8286285	0.50
109.0612259	0.40
110.8504944	0.40
116.9100494	0.28
121.1837082	1.08
128.8916168	0.17
132.9684296	0.37
137.0542145	0.30
138.9118347	0.27
143.0366516	0.90
147.1773376	0.56
149.0136566	0.39
151.1522522	0.79
153.0791779	0.71
154.9830322	0.83
157.027832	0.82
158.9197693	0.14
163.0587311	0.18
167.0225983	0.77
168.8986053	1.41
173.7712402	0.16
175.0275269	0.18
176.9867249	1.74
179.0137024	0.12
181.0255737	1.62
183.1045532	2.14
185.009613	0.19
187.2312012	1.45
191.140625	0.41
194.9883423	1.39
196.625	0.49
197.252243	0.41
199.2329407	0.42
203.0766602	0.39
206.8027954	1.10
211.2627258	2.53
212.8978882	0.60
214.2250671	0.18
215.2576599	0.64
217.2671204	1.39
221.9921265	0.37
223.0591736	2.06
224.9976807	1.99
228.9940491	0.47
231.3962708	0.75
233.5621338	0.51
237.0623169	0.54
238.278717	0.31
239.1495056	1.16
241.1430359	0.51
247.1486816	0.74
251.198761	1.74
253.1516724	6.81
257.1499023	2.00
258.6871948	1.56
264.3915405	0.22
265.1868896	1.66
267.3288574	1.24
268.3282776	0.28
269.2854614	2.13
275.1742859	21.00
279.032074	0.55
283.1890564	4.00
293.2022705	100.00
294.1680908	4.83
296.0530701	1.15
310.3876953	1.22
311.5559692	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0197
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
84.9336700	0.51
86.9451141	1.13
110.8770905	100.00
129.0631561	1.66
130.9045410	1.43
147.0536804	0.18
154.9427032	0.38
172.9297333	20.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	366.1297
Annotation	Tintamine
Peak:m/z	Relative Intensity
108.9876404	0.11
109.9282455	0.48
117.9450531	0.18
131.0947723	0.40
136.0728912	0.97
137.0209351	3.10
153.9626160	100.00
156.0920410	0.05
173.0298309	0.68
185.0507050	0.05
192.1538086	0.25
192.8846893	0.04
211.7995911	0.05
212.7709198	0.02
280.0917358	0.04
282.4129028	0.22
303.4360962	0.05
306.2106934	0.03
320.1124878	0.05
321.3556824	0.07
324.3831787	0.26
331.2359314	0.04
348.1588745	0.05
349.3395691	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	151.035
Annotation	Unknow
Peak:m/z	Relative Intensity
109.8616638	100.00
127.8162231	7.73
130.4572449	4.32
133.1286316	0.04
139.2467804	1.80
145.7965546	0.09
150.9335327	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.1685
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
98.77222443	1.82
108.1894379	1.28
119.1609497	0.86
129.9342346	1.48
169.9173279	4.57
172.1808472	0.83
183.0073853	100.00
184.065033	16.84
185.1521759	0.88
197.0345917	22.64
198.195755	5.69
199.0171356	2.99
209.2208862	0.93
211.0641785	2.52
212.0734253	4.53
217.3837891	3.12
221.1757507	2.12
223.3034973	0.62
225.151825	1.43
225.9501038	1.03
227.2606812	0.32
235.244812	1.22
237.2561035	0.42
239.0916138	8.28
241.3677063	1.23
243.369873	1.01
246.394989	1.72
247.251709	6.91
249.2748413	10.31
251.1566772	1.19
253.1104126	1.96
254.4759521	0.62
265.5036011	0.29
267.398407	15.30
269.5248108	0.93
272.9156799	1.91
275.0965576	5.27
281.37146	0.97
283.1551514	3.26
293.2439575	49.92
295.1987915	1.23
295.9657593	0.97
299.0294189	0.53
311.3149109	15.07
312.3213806	5.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	379.97
Annotation	Unknow
Peak:m/z	Relative Intensity
108.9667282	0.24
116.0279236	0.11
129.9908142	0.13
140.8804016	0.11
144.1725616	0.09
162.1585693	0.57
170.7695923	0.18
174.1336670	0.12
178.9498444	0.39
182.0503082	0.08
183.9884338	0.29
202.2231598	0.47
203.3646240	0.38
212.1879883	0.25
213.1655273	0.14
214.8592529	0.47
215.9525757	0.15
216.8376923	0.65
217.5122070	0.34
219.1022034	0.92
226.7086792	0.34
231.0096436	0.15
232.1807556	0.29
233.1897583	1.75
234.1516418	0.80
239.2295227	0.21
242.5412292	0.37
244.1738892	0.09
245.1094971	0.45
251.1242981	6.68
257.0767212	0.06
258.2722778	0.16
260.0592346	0.18
262.1956482	0.16
263.1693115	0.41
264.0741882	0.18
272.8957520	0.08
274.0350342	0.43
289.0385437	0.59
289.9887085	1.70
292.1571655	0.39
303.2778320	0.05
304.1123352	0.54
305.1776428	2.70
306.3281250	0.13
308.3919678	0.29
315.2316895	0.24
316.9874268	0.08
318.0385742	0.28
318.9498291	0.18
320.7358704	0.26
326.3583374	0.08
331.9755249	0.10
333.3636169	0.06
334.1218262	0.74
336.0983887	100.00
343.0076599	0.11
344.1279297	0.31
345.2160950	0.18
347.1262512	0.43
348.3233337	0.07
349.1480408	0.12
350.0279846	0.15
360.1184387	0.13
361.2743835	1.81
362.1059265	3.05
362.7663879	0.23
363.4078674	0.05
370.3056641	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	223.06
Annotation	Sinapic acid
Peak:m/z	Relative Intensity
75.0793457	0.21
108.9309235	0.15
115.2049713	0.06
120.0099182	0.10
125.0138855	0.20
130.7939148	0.06
137.0344391	0.34
147.2953339	0.14
148.9665985	0.49
151.0685272	3.65
160.903656	0.75
163.9714813	15.09
164.9737549	0.05
166.0091858	0.12
174.9216461	0.09
177.0729523	0.41
179.0883331	41.49
184.9867706	0.18
186.963089	0.21
193.1303406	0.35
195.1376343	1.09
202.9736633	0.28
205.1877441	1.09
206.1212006	0.10
208.0310211	100.00
223.0505829	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	423.9538
Annotation	Unknow
Peak:m/z	Relative Intensity
229.1710205	0.23
274.7105408	0.26
304.7692261	0.17
309.4484558	2.20
310.3153076	0.83
311.0451355	1.04
327.7421570	0.45
329.0901489	0.69
337.8704834	0.31
340.0221863	0.16
345.3924561	0.17
346.7249756	0.09
349.8502502	0.59
364.2427673	0.18
368.1065674	0.21
369.1094666	0.17
377.1609802	0.75
377.9450073	1.25
379.6248474	0.27
381.2177124	0.36
382.9214783	100.00
387.0973206	0.19
394.3653870	0.42
396.4963074	0.74
399.9856873	5.18
400.6343689	15.27
407.2894897	0.18
409.3598328	0.71
412.5469360	0.12
414.8671570	0.11
420.0151672	0.45
424.5166016	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
139.1491241	3.00
156.9546509	1.17
177.4724426	2.97
178.5568848	2.84
181.0065002	4.42
183.9807129	1.29
206.8633728	2.42
226.973999	4.14
228.3359222	3.06
242.9299011	2.76
245.2279968	2.69
247.0748901	1.45
260.0457764	3.75
272.2211914	3.20
281.2710571	8.65
284.0687866	2.74
288.3074951	2.90
299.2501221	8.53
312.3904724	3.73
318.5	2.44
322.1791992	2.92
324.1804199	2.36
326.2785645	0.58
338.1585083	1.72
339.3829651	3.95
340.2792358	8.23
345.7244873	5.50
349.3341064	4.95
354.0354004	4.76
357.6331482	4.29
364.2601013	0.90
365.7506104	3.05
366.5907288	0.74
368.4324036	8.85
369.1194763	1.19
370.1665344	2.07
376.9170532	1.44
380.4250793	2.43
381.3774719	7.85
382.1309814	2.88
383.6779175	1.58
384.940033	1.29
390.229248	14.10
397.5763245	7.86
405.0240784	3.22
406.306488	5.57
407.6480408	40.10
408.2697449	100.00
409.0316467	11.39
411.2582703	12.00
417.2660828	4.40
423.328186	1.99
426.0229492	2.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	477.9581
Annotation	Unknow
Peak:m/z	Relative Intensity
165.9175720	0.26
174.1209106	0.28
175.9524536	0.07
186.0357361	1.50
193.8363342	0.09
196.3273163	0.08
198.1945801	0.55
203.9345245	12.49
214.0365601	0.25
217.1004028	0.48
217.9997253	1.06
220.1534119	0.97
227.2235413	0.12
232.3218079	0.26
234.4676514	0.51
235.8857422	11.19
241.8713074	0.25
243.9728394	0.10
246.0427856	6.30
248.0958862	0.28
252.7020569	0.08
258.0646362	9.45
259.8567200	0.51
262.0552673	7.40
264.1968689	0.15
266.0051270	0.09
274.0771179	3.56
276.0242920	0.57
277.3726501	0.30
278.0203857	1.43
279.6434326	0.16
282.0658264	0.25
283.9705811	38.70
286.1686401	0.54
287.8726196	2.92
288.8913269	0.09
289.9893799	1.92
291.8319092	0.75
298.1660767	0.76
299.8002319	0.17
301.9873352	0.14
303.9830322	2.47
305.8898621	0.40
307.8915710	0.77
313.0142822	1.80
315.1411743	12.94
315.9144287	38.20
316.9028015	0.53
318.0473022	0.19
319.9431458	5.10
321.9411926	0.30
330.2462463	0.27
332.0883484	1.26
333.1348572	0.57
334.0878906	0.05
337.3579102	0.41
337.9899292	2.40
343.8195801	0.20
344.8165588	0.48
346.1484985	5.91
347.0150146	1.18
348.0824890	7.83
349.0432434	0.08
349.9780884	0.14
356.3794861	0.16
360.8102417	0.24
362.0762939	2.19
363.9220581	0.12
371.2340698	0.09
373.2001648	0.64
377.9259033	0.87
380.0206604	52.66
380.8963928	0.13
386.1155701	0.05
389.3279419	0.53
397.3268127	6.25
397.9427795	100.00
398.6350098	0.16
404.0064392	0.16
405.3787537	0.22
410.9412537	0.44
412.7799988	0.65
415.4887390	0.69
417.9459534	0.13
437.1983337	0.16
441.1537476	0.13
446.0276184	0.23
458.3052979	0.08
459.2545166	1.39
460.3571777	2.37
461.0921326	0.07
468.3959351	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	263.02
Annotation	Unknow
Peak:m/z	Relative Intensity
118.1519775	0.12
130.0423279	0.14
131.9915466	1.91
132.6928711	0.13
133.9179077	0.08
147.1022491	0.33
157.0428314	0.12
160.8626099	0.23
170.4807892	0.08
177.3148651	0.23
183.1560669	0.09
195.9785309	0.21
200.0561371	1.23
217.0930786	2.65
218.0567780	0.48
222.0513000	0.23
225.7168884	0.36
227.0523071	5.46
227.8875122	3.72
234.8753204	0.78
245.0068817	100.00
245.9619904	28.29
247.2371674	0.22
254.0915985	0.60
261.9907837	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	308.0902
Annotation	Glutathione
Peak:m/z	Relative Intensity
115.8284912	0.76
129.8314209	0.30
143.8139648	1.79
144.4417725	0.08
146.1283722	0.25
150.5700073	0.35
161.9357910	19.85
178.9692993	100.00
215.0232239	0.62
219.7796936	0.09
229.0519714	0.21
233.1313477	18.87
242.3109131	0.02
243.9352722	0.36
245.1233521	0.84
269.3057251	0.27
272.1089783	1.13
275.6286316	0.14
290.0501099	7.35
291.1314087	1.37
291.7416992	0.10
299.7192993	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	276.1182
Annotation	Glutamyl-Gamma-glutamate
Peak:m/z	Relative Intensity
83.8783493	0.85
100.8936386	0.66
102.0110016	0.02
130.0317383	22.97
146.9362183	100.00
147.7108307	0.02
174.0879059	0.04
213.1355591	0.98
228.0748596	0.06
229.8423462	0.07
240.0287781	0.29
241.1470947	0.78
242.2144470	0.07
246.0992432	0.09
247.0099487	0.03
258.1608276	1.07
259.1530151	3.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	182.0808
Annotation	4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline
Peak:m/z	Relative Intensity
119.0535431	0.05
122.8605042	0.03
135.9749908	16.02
147.0459137	0.06
154.2139435	0.01
164.9577332	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	179.06
Annotation	(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid
Peak:m/z	Relative Intensity
59.0944939	0.10
71.0180054	0.04
80.8199005	0.03
86.9387817	0.26
88.9689178	0.78
91.0460205	0.04
96.9265289	0.02
99.0351562	0.01
101.0247955	0.12
105.9572906	0.01
106.8752289	0.25
108.9097748	0.02
112.9522400	0.14
117.0339203	0.06
118.9342499	0.66
124.8664093	0.03
130.8506317	0.33
132.9415131	0.06
134.9715118	100.00
135.8729095	0.11
143.0348663	1.14
147.0673370	0.03
148.4865417	0.05
149.0932465	0.08
151.1115570	0.09
159.0398712	0.10
161.0261688	1.00
163.1059723	0.03
164.1677551	0.03
179.1524811	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	447.0533
Annotation	Glucobrassicin
Peak:m/z	Relative Intensity
138.9204254	1.78
195.2301025	1.01
205.0512085	34.52
222.8032532	3.74
224.1238556	6.38
227.0886383	3.99
241.1361694	25.83
251.2703247	11.17
254.1450806	7.59
259.1394043	100.00
269.2470093	5.84
274.1878967	3.72
275.0863037	57.71
285.2662354	4.65
291.0604248	30.80
367.1466370	12.82
415.4573059	2.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	889.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
265.1646423	0.03
273.9647217	0.32
275.2085571	0.08
299.2776489	0.37
307.1197815	0.11
315.3214722	1.49
325.2913513	0.04
329.3314819	5.00
343.3931274	0.07
344.7720947	0.84
345.4125977	0.75
359.2510681	0.68
367.2180176	12.72
459.2780151	0.23
473.1710815	0.03
487.5272217	0.06
489.2006836	0.35
503.3262939	0.65
507.0998535	0.26
521.1291504	0.03
607.5695190	0.03
623.1846313	0.04
651.3823853	0.06
664.7915649	0.10
682.5980225	0.06
683.4016724	0.18
695.0839844	0.47
697.1929321	0.38
698.0259399	0.15
710.0146484	0.37
722.9235229	0.33
727.2798462	100.00
727.9366455	0.32
745.0902710	0.12
746.0618286	0.10
769.5130615	0.10
774.0549927	0.20
806.6021118	0.29
807.2109375	0.15
824.3997803	0.16
829.4894409	0.14
842.9606323	0.17
867.4628296	0.30
874.7201538	0.49
879.3936157	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	564.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
220.8699799	0.02
242.0622864	0.04
255.2541962	0.03
264.9861450	0.09
271.3948975	0.06
279.2326355	0.43
279.8455505	0.02
282.1770630	0.09
291.5160522	0.08
309.1770020	0.06
356.4261475	0.06
368.2867432	0.06
391.4031982	0.06
410.5233154	0.04
434.3128052	0.06
459.3921509	0.04
463.1508789	0.02
468.4613647	0.03
473.6127930	0.02
504.3958740	100.00
505.3662109	0.67
509.4989624	0.03
519.1730957	0.21
526.2040405	0.04
528.1273193	0.06
534.9777832	0.03
544.5706787	0.08
545.2611694	0.07
546.6503906	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
130.9249878	1.45
139.0475464	0.30
141.0966949	0.35
143.219635	0.58
148.7226562	0.33
169.2445679	0.45
175.9646606	0.51
183.149231	0.20
185.1147156	3.21
188.7702484	1.07
191.1914062	0.55
199.4702911	0.87
201.2285919	1.53
203.0342407	1.07
221.2288513	1.15
227.4619751	0.77
229.1947327	2.61
231.191803	0.32
235.3253784	0.45
243.1026611	2.04
251.3791504	0.70
255.4479675	0.22
257.3014526	0.93
259.4814148	2.15
263.4513855	3.96
271.2693176	1.82
272.9686279	1.01
277.1405029	0.41
285.2926941	7.93
287.53479	2.41
295.2803955	1.91
297.5445862	1.89
298.7310791	1.12
299.5407715	1.08
311.1167297	6.50
313.1889038	9.26
315.3438416	4.40
320.6779785	0.55
321.3478394	3.75
322.2081299	0.62
323.3637085	6.09
325.0612183	1.23
329.1439209	1.50
335.4759521	0.49
339.2507324	100.00
340.1016235	0.59
341.3152161	17.20
353.2385559	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	402.16
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9685364	8.39
128.0349121	1.69
131.9872894	0.28
144.9841003	100.00
152.8175507	0.19
167.8909454	0.24
169.2209320	0.24
201.2562256	0.22
215.2017822	0.14
219.0122528	1.93
220.0853271	0.12
242.1526794	38.74
255.8029480	0.06
260.8958130	0.41
262.7623291	0.14
269.0335083	0.04
281.2300110	0.50
343.1900024	0.34
356.1546631	0.04
384.2496948	0.79
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	367.1033
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
106.9949036	0.07
117.3001938	0.19
134.0468445	5.86
136.7230530	0.07
149.0369720	1.07
154.9948120	0.53
160.9046936	0.05
173.0482941	3.32
174.0067139	0.04
191.1368713	2.70
193.0221863	100.00
193.6272430	0.22
203.1907806	0.23
204.2186737	0.08
205.0702057	0.11
222.9917603	0.17
232.8433838	0.06
247.1360474	1.84
259.1981812	0.07
265.1754761	0.05
275.0874634	0.07
276.3804016	0.10
277.1737366	0.31
281.1921387	0.06
289.2955322	0.22
305.2042236	0.30
308.1144104	0.21
320.8177795	0.22
321.4219055	0.06
322.8667603	0.80
323.5381470	0.20
324.1429749	0.04
325.5041504	0.07
329.2931519	0.09
331.2265015	0.56
332.0625000	0.07
339.0193481	0.06
349.2431335	0.49
352.2095642	0.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	352.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
113.9151077	0.19
128.0463715	2.95
131.2218933	0.04
142.9117432	3.06
145.1338501	0.03
145.9932556	0.48
152.8746338	0.03
158.1164703	0.04
166.9223328	0.24
170.0655518	0.04
171.1086731	0.27
175.0066833	0.91
179.0702972	2.76
184.9612732	1.19
192.1069794	0.11
192.7695312	0.05
196.9079285	0.38
203.0882263	0.15
205.9675903	0.27
207.4436646	0.02
209.9860992	1.06
223.0073242	1.23
226.0404663	0.04
228.4642944	0.06
232.1358643	0.17
236.0391846	0.15
242.4515991	0.05
252.1482544	0.33
254.0807800	38.42
268.0816040	0.07
272.1233215	100.00
286.1296387	4.21
288.1154175	0.53
290.2229614	0.02
304.1867371	11.14
305.9545593	0.97
309.0979309	0.05
316.2128601	0.08
334.1542358	22.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	560.68
Annotation	Unknow
Peak:m/z	Relative Intensity
173.0007019	0.02
174.0266724	0.08
223.2624207	0.01
233.0729370	0.03
234.8436432	0.04
241.0122070	0.16
324.2484131	0.06
329.0620117	0.04
347.0797729	0.12
349.1138306	0.26
359.1904907	0.06
366.0856934	0.24
366.8261719	0.13
367.9993896	0.42
370.2213135	0.13
376.8526001	0.09
387.3452148	0.03
390.9112549	0.04
392.8327026	1.93
408.7857666	0.02
422.7693481	0.02
425.0086670	0.23
431.1002808	0.02
463.1072998	0.04
470.2305908	0.25
471.1768799	0.05
474.0003052	0.16
474.8497314	0.21
476.7681885	100.00
488.0011597	0.14
513.7013550	0.25
517.3088989	0.09
518.1218872	0.12
529.8458252	0.03
542.2858276	0.04
543.0599976	0.07
544.0603027	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	286.88
Annotation	Unknow
Peak:m/z	Relative Intensity
148.2493591	0.06
153.9518738	0.04
185.0598755	0.09
186.8465729	0.02
213.2033081	0.03
214.9876404	0.06
222.1663208	0.07
222.8479614	0.04
224.9037170	0.17
233.8117371	0.03
234.4675293	0.16
240.2857971	0.07
241.1008911	0.08
241.9765015	0.02
242.8530884	0.75
243.8489990	0.32
245.9054565	100.00
251.0751343	0.03
254.2721558	0.11
256.8949890	0.42
258.8829041	0.35
262.4163818	0.18
263.7333069	8.07
266.0885925	0.88
266.9360962	0.50
268.3784180	1.07
269.0250549	1.01
270.5194702	0.28
272.8926392	0.07
274.6907349	1.10
275.3966064	0.18
276.0117188	0.11
276.9810791	0.04
278.1094666	0.41
280.9342041	0.06
286.9065857	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	246.06
Annotation	Ascorbalamic acid
Peak:m/z	Relative Intensity
72.9619904	0.07
83.9734421	0.06
84.9403686	0.02
111.9970245	0.02
127.8986816	0.75
129.1154785	0.04
138.1237793	0.43
139.1434631	0.10
143.9421539	0.63
146.1564484	0.24
150.2608337	0.03
155.1845551	0.06
156.0303040	0.22
158.0376129	0.12
164.1404877	0.07
167.1180878	0.05
170.0268250	0.17
173.9270630	100.00
174.8787689	0.02
177.3469391	0.18
181.8147430	0.40
184.1240082	0.02
185.8383026	0.07
188.0731659	0.25
200.0165558	0.91
209.9979553	3.23
218.2590485	0.21
228.0666046	32.15
229.2154541	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	545.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
172.7148743	0.01
176.8691711	0.40
177.8021851	0.03
179.8598633	0.08
182.8830872	0.02
184.0496674	0.04
194.9259949	0.29
205.8927917	0.03
207.0452576	0.03
207.9623871	0.25
209.0131226	0.04
221.8587036	0.04
225.1573486	0.02
236.9159241	0.04
259.1996460	0.20
291.0180054	0.77
307.9458618	0.04
309.2878418	0.09
310.1259155	0.09
325.8801270	0.12
337.1466675	0.06
338.9625244	0.06
344.0322876	0.21
354.1724854	0.06
383.0552979	0.02
388.9734497	0.02
445.3718872	0.08
447.1428833	100.00
465.0488892	2.65
485.1232910	0.11
498.6076050	0.03
499.9981689	0.60
501.0332642	0.09
508.1142578	0.07
509.1212769	0.08
514.3560181	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	609.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
202.1729889	0.03
211.0795288	0.82
259.1592407	0.02
262.1331787	0.25
264.0943909	0.03
265.1579895	0.03
266.0473938	0.02
267.1843872	0.08
270.0677795	0.03
282.3094177	0.05
283.9664917	0.07
303.1544800	0.05
308.0754395	0.36
318.1584473	0.06
322.2268982	0.04
342.3002319	0.02
346.1184692	100.00
363.0422363	0.03
366.2547607	0.03
401.2326660	0.02
402.9632568	0.04
410.1069336	0.06
410.8911133	0.01
432.0442505	0.05
433.6660767	0.02
434.9824829	0.03
459.0297852	0.15
463.1146851	0.13
473.2834473	0.02
474.8972778	0.04
475.8634644	0.03
488.6185303	0.09
506.2736816	0.05
508.3355713	0.18
511.1851807	0.02
514.2758789	0.03
519.2081299	0.04
529.6309814	0.04
546.1616821	0.10
546.9016113	0.02
548.1395874	0.04
549.2476196	0.07
576.1433105	0.08
577.2243652	0.02
591.2379761	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	538.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
219.2998352	0.09
262.8587646	0.06
276.2097778	0.05
292.3180237	0.15
293.1320190	0.62
294.3202515	0.08
295.2313232	0.04
321.1395874	0.67
323.1268921	0.09
337.1618042	0.17
339.1744385	63.51
361.0668945	0.22
364.8704224	2.33
365.4811401	0.19
375.1997070	0.18
380.9328003	0.03
382.9795532	100.00
383.5861206	0.31
384.3928833	0.13
385.3469238	0.12
391.0194702	0.31
392.2707520	0.12
394.7307739	0.32
408.3206787	0.11
426.2221680	0.08
431.8296509	0.11
451.0332642	0.06
451.7148438	0.09
456.2430420	0.03
464.4885254	0.11
482.5673828	0.05
494.0836792	0.21
519.0966797	0.22
520.1820679	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	328.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
118.0769653	0.08
130.9443512	0.20
132.8737793	0.08
136.0039062	0.45
137.0072327	0.81
153.9686890	100.00
155.9835968	0.06
173.0935211	4.86
181.9865875	0.06
217.4251709	0.04
234.1187439	0.07
241.0283203	0.08
245.9199219	0.02
253.3177490	0.07
256.4124451	0.04
282.2682800	0.04
284.0372009	0.18
292.1422729	0.06
310.2758789	0.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
99.08666992	1.06
112.9859619	0.41
118.0391998	0.28
123.2146301	0.15
128.9805908	0.21
136.9461365	0.77
138.8878021	0.20
142.7431641	0.43
149.1086731	0.87
153.0127258	0.69
155.0803528	1.61
156.1340027	0.28
158.927002	0.19
160.8905334	1.08
163.0927124	0.50
165.1390076	0.26
166.9057159	1.06
168.8845215	0.11
175.0271912	0.34
181.1060181	0.78
182.8968811	1.19
184.88974	0.48
193.1065063	0.43
195.1164093	1.79
197.0098877	0.29
199.1945648	0.58
200.7747498	0.37
207.1898193	0.38
209.2168579	1.27
211.2077637	1.36
212.786377	1.27
213.5484619	0.38
216.841095	0.20
219.3534851	0.46
221.5015259	1.49
222.9993591	0.31
225.086792	1.64
227.1681824	0.16
235.0822449	0.44
237.0739136	2.01
238.9648438	1.45
241.0011902	1.01
247.1362	0.36
249.3797302	0.12
251.2536011	3.74
252.2208252	0.24
253.0868835	4.97
254.8978577	0.76
261.203125	0.59
263.0181274	0.10
265.0514221	1.55
266.630127	2.06
267.2776489	0.12
268.0822144	0.25
270.1135559	0.98
275.3027649	10.67
278.8987732	0.08
282.6469727	0.13
283.3782959	2.16
293.2112732	100.00
293.8445435	0.18
296.3796082	0.63
297.2889099	1.14
302.4662781	0.27
313.1755981	0.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1183.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
368.5053406	0.12
413.4079590	0.07
414.4296875	0.20
416.6173706	0.10
421.3687744	0.14
428.4848633	0.19
429.3941040	0.32
439.2300720	0.10
441.4553833	0.08
443.2659912	1.25
444.2470093	0.07
445.4648438	0.71
455.4014282	0.29
456.5699158	0.69
457.4604187	0.34
458.4303589	0.28
459.4140930	0.52
460.2382812	0.06
466.3110046	0.28
467.4518433	0.17
469.4126282	0.50
470.5814209	0.15
471.4049377	4.60
472.3795471	2.29
473.4211426	0.72
481.3563232	0.09
482.4041138	2.04
483.1432495	0.07
484.2873535	0.25
485.2673035	1.60
487.3566895	2.08
488.3838196	0.48
495.2913208	0.15
496.4624023	0.21
497.3669434	4.57
498.4249878	0.15
499.2151489	1.45
500.3015137	9.84
504.2746277	0.10
513.2286377	1.81
515.3422241	100.00
516.5037231	0.28
517.7218018	0.17
530.3228760	0.07
531.0519409	0.30
532.5916138	0.19
545.5258789	0.46
546.3475952	1.18
547.5046387	0.66
548.3000488	0.08
558.6006470	1.20
559.2960815	23.06
560.3146973	0.83
573.2574463	0.17
589.3023682	1.01
591.2431641	66.49
592.9865723	0.06
893.9440918	0.06
962.7722168	0.07
1075.0509030	0.74
1107.3472900	0.57
1148.0939940	0.21
1151.1223140	0.64
1166.2541500	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	476.2755
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
137.2929535	0.04
142.0612793	0.09
149.0282898	0.07
158.9830780	0.13
174.9881592	0.09
179.0819397	0.05
195.0579376	0.09
198.2569275	0.33
207.2935181	0.16
209.5563660	0.04
216.1397095	0.10
218.2251892	0.18
243.3127136	0.19
246.2260132	0.09
251.1113586	0.12
269.3734131	0.11
277.2863464	0.09
279.4566650	0.05
289.9040833	0.03
290.8889160	0.24
295.9909058	0.02
304.4428711	0.13
312.2102356	0.12
317.6995850	0.03
318.4064941	0.14
322.1453552	0.11
325.5830994	0.09
327.0180054	0.08
328.0491028	0.05
330.2711182	0.03
335.3067017	100.00
335.9274292	0.21
339.2908325	0.07
341.2130127	0.03
362.0509644	0.03
369.2890015	0.09
374.1273804	0.10
380.4220886	0.08
381.4104919	0.06
383.3756409	0.06
386.5018005	0.03
388.1399841	0.05
394.1761475	0.04
398.3179932	0.06
399.3134460	0.04
401.9284668	0.14
409.1964722	0.07
411.9642029	0.14
413.2553406	0.16
415.3314514	0.18
416.1877747	0.06
416.8086853	0.20
425.9524841	0.08
427.5680542	0.26
432.1637878	0.21
433.0042419	0.37
435.4027100	0.09
439.9342346	0.02
440.6532288	0.03
443.6741028	0.18
445.0692139	0.18
453.7042847	0.19
457.6423645	0.18
458.2522888	3.97
459.2904053	0.61
460.0354309	0.25
461.1916199	0.09
467.4007263	0.29
480.9774475	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	653.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
187.9807434	1.18
205.1556091	3.88
207.1351624	0.82
209.1648560	0.06
303.0725098	0.26
333.4363403	0.44
334.1270142	0.07
336.2052002	0.19
350.8040771	0.16
356.1411133	0.20
368.4432373	2.27
369.0579834	15.77
393.1314697	0.31
395.4503174	0.22
396.3549805	0.14
410.2572021	0.79
410.9439697	1.36
413.4345093	0.14
431.5928345	0.72
440.2958984	0.35
447.3988647	0.47
448.9085693	1.67
453.0410767	0.06
463.1168823	0.46
490.2325439	0.18
490.9815674	0.87
503.1996460	0.30
505.1972656	0.13
554.3043823	0.12
554.9732666	0.23
556.4177246	0.10
571.1028442	0.51
572.8480835	100.00
573.5155640	0.58
604.7517700	0.62
610.2619019	0.71
616.5363159	0.26
617.5634766	0.07
619.9426880	0.13
629.9312134	1.70
634.1436768	0.41
635.5549316	1.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	628.69
Annotation	Unknow
Peak:m/z	Relative Intensity
255.0479889	0.06
292.6046143	0.42
370.8285522	0.04
374.5083008	0.29
376.5628052	0.67
418.8656616	0.20
419.7237549	0.16
422.0382080	0.09
458.5942383	2.59
459.6578979	0.34
460.6563110	7.13
462.0199585	0.71
462.8780518	1.13
492.0481567	1.23
492.7047119	0.80
507.6289673	0.07
508.8295288	0.14
520.7073364	0.71
521.9053345	1.22
522.6948242	4.15
542.5217896	13.09
544.5298462	100.00
545.2808228	0.56
552.3636475	0.10
559.4241333	0.32
566.4833374	0.04
567.1862183	0.10
568.8214722	0.61
580.4840088	0.42
581.7334595	2.21
582.6491089	4.80
583.2689209	0.15
598.4092407	0.18
605.6931152	0.27
611.0208130	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	730.88
Annotation	Unknow
Peak:m/z	Relative Intensity
231.1216278	0.08
272.9705200	9.39
274.1136475	5.42
275.0094604	2.25
321.5753174	0.21
386.9871826	13.40
387.9918213	8.19
389.0506592	8.23
428.9074707	0.14
501.0140381	46.22
501.9945068	53.68
503.0272217	46.93
574.0286865	0.04
597.0877075	0.21
601.1253662	0.18
609.8842163	0.24
610.8504639	0.44
612.1418457	0.12
614.8193970	27.74
615.8241577	76.34
616.8375854	100.00
617.5049438	0.18
628.0632324	1.28
628.9653320	1.07
640.9600220	0.09
646.1387329	0.12
648.9260864	0.38
654.9072266	0.21
655.8812256	5.56
656.9598389	3.69
658.1004639	0.86
673.0229492	0.08
674.0784302	1.67
675.0659790	1.01
675.7658081	0.28
683.9301758	2.16
684.9180298	1.24
686.0491333	0.53
697.9385986	0.17
701.8870850	0.12
703.8854370	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	502.92
Annotation	Unknow
Peak:m/z	Relative Intensity
154.9401550	0.12
159.0490112	3.01
159.8985901	0.63
160.9347382	1.02
174.2988434	0.11
198.8648071	0.06
200.0187225	0.22
200.8176575	1.06
217.2194824	0.08
217.9779358	0.04
219.0591431	0.09
229.0297241	0.15
229.9747925	0.30
231.0599060	0.25
246.1325989	0.05
272.9833374	44.33
273.9751587	25.13
275.0680542	25.57
291.0614624	0.08
340.0730591	0.05
386.9940796	46.37
387.9766846	71.05
388.9859314	100.00
428.2536316	0.42
429.2697754	0.05
457.2062683	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	369.01
Annotation	Unknow
Peak:m/z	Relative Intensity
132.0700989	0.58
162.0331421	0.10
170.1688843	0.07
174.7960205	0.05
177.0445862	0.03
183.1507416	0.07
189.9547729	0.29
203.2066650	0.06
207.0226746	3.59
214.9904785	0.31
219.2205811	0.12
220.1259460	0.15
223.0445557	0.09
225.8262329	0.02
233.8624878	0.14
234.6053162	0.40
235.2575378	0.07
237.1189575	0.31
238.2543640	0.04
239.0968018	0.19
239.9595642	0.04
247.1472473	0.11
248.8966370	24.47
249.5017395	0.04
251.3276367	0.49
252.6174927	0.29
255.0264282	0.06
261.0112305	21.96
263.1206360	0.23
271.0967102	0.05
272.9361572	0.65
278.8484192	100.00
279.8410645	0.11
291.0259399	0.97
295.1086121	0.18
303.0653687	0.29
306.2965393	0.04
307.2715454	0.62
308.9926758	38.28
319.1188354	0.42
320.3534241	0.34
321.1683960	0.03
322.0148621	0.11
323.1329956	0.92
324.9434814	2.05
327.2524414	0.29
332.9368591	0.89
336.5431519	0.23
337.2266846	0.40
339.0726318	0.50
341.2044373	0.23
347.9429321	0.10
349.1134949	0.09
350.3591614	3.27
351.0508728	6.72
352.3708191	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
101.0425110	3.83
103.0013580	0.11
109.0449066	0.09
110.8653488	0.15
112.9272308	8.39
128.8556976	0.16
130.7649536	0.32
136.9747772	0.20
147.2807617	0.09
156.1930389	0.06
157.0112305	0.91
159.0445251	0.08
170.1028748	0.07
170.9826813	0.99
172.0136566	1.64
173.0141602	0.25
175.0522308	2.75
183.2061005	0.06
184.1044922	0.06
185.0436401	0.52
186.1581116	0.80
187.0345917	1.31
189.1906281	0.19
193.1793518	0.04
200.1067810	0.07
203.1737518	0.06
205.0203857	2.91
223.1031494	1.16
227.2052612	0.16
227.8553467	0.09
231.0561829	11.62
241.0043945	0.04
249.0509644	100.00
255.2336731	0.09
261.1198120	0.05
262.8043823	0.08
267.1820984	28.70
269.4015503	0.31
272.1708374	0.44
275.3562622	0.04
279.2228394	0.04
281.0084839	0.03
289.1078491	0.11
291.1709595	3.91
303.0383606	0.28
305.1116943	0.88
307.2579956	0.97
313.8783569	1.69
315.0632324	1.76
315.9729309	0.35
317.4409485	0.04
320.3037720	0.41
321.1820679	0.13
323.2908630	0.09
333.1515503	19.24
334.0518494	0.45
335.2087097	2.08
336.1490784	0.79
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	556.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
162.0664215	0.99
162.7745361	0.17
215.3271484	0.37
227.9062805	0.18
229.0753479	0.08
247.1065979	0.06
266.7954712	0.12
275.3829346	0.15
310.8978271	0.14
331.3288574	0.23
333.1641846	0.26
340.8019409	0.71
341.6069336	0.14
381.3186646	0.15
392.9518433	0.16
394.8872681	0.32
410.0546265	100.00
411.0939941	71.70
412.0388794	0.18
444.2887573	0.12
445.0350952	0.13
485.5516968	0.56
498.8615112	0.34
511.1224365	0.37
512.2374268	0.68
513.0880737	0.09
521.4285889	0.13
537.1720581	0.21
538.4618530	1.51
539.2257690	0.48
546.5153198	1.20
547.2153320	0.36
549.0299072	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	739.2075
Annotation	Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
208.8764648	0.47
215.5918579	0.14
216.2142944	0.08
217.8173065	0.10
218.9503479	0.06
223.1365814	0.54
231.0178070	0.26
232.1066589	0.20
233.1201782	1.95
234.1976013	0.02
236.2388763	0.04
245.0828705	0.17
247.1263123	0.56
249.0552673	0.06
251.0798950	0.21
258.3436890	0.01
260.0309448	0.32
263.0283813	0.38
264.8356934	0.15
273.0198975	0.06
275.1615906	4.27
281.5337524	0.03
288.1596069	0.03
289.1581421	0.08
291.2620239	0.02
293.0085449	0.05
298.9395142	0.03
311.2817993	0.01
313.2536011	0.02
317.1524963	0.10
322.9522095	0.09
324.8157349	0.13
335.0057983	0.02
340.7850342	0.04
341.4330444	0.01
348.9780884	0.02
353.3808594	0.02
355.3953552	0.05
360.4985962	0.03
368.9185791	0.04
371.3909912	0.06
388.2829590	0.03
389.1356201	0.01
413.2433472	0.18
425.2420044	0.05
426.1243286	0.04
443.0175781	0.14
453.2003174	0.11
455.7593384	0.03
467.6937256	0.06
470.3115845	0.02
473.2308960	0.04
479.0495605	0.06
487.4197388	0.02
497.2569580	0.21
515.2941284	100.00
529.2645874	0.09
531.1560669	0.02
533.1526489	1.28
540.0905151	0.10
577.6059570	0.03
674.6347046	0.03
679.0715332	0.08
692.4706421	0.03
694.1867676	0.10
695.3358765	0.02
702.2944946	0.01
703.1896362	0.07
721.0609131	0.36
729.7829590	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	427.0942
Annotation	S-Glutathionyl-L-cysteine
Peak:m/z	Relative Intensity
129.6642914	0.10
130.2661896	0.02
145.0749512	0.21
153.9017181	0.17
159.9763184	0.02
176.9970093	0.10
178.0108337	0.03
195.2591095	0.19
198.9855804	0.02
201.1275940	0.02
205.2401123	0.09
209.0810242	0.16
211.0958862	0.17
222.8536682	0.01
231.0140076	0.19
235.0581055	0.49
236.9797974	0.01
241.0671082	0.11
250.2216492	0.02
256.4272156	0.03
274.2208252	0.03
280.1424255	0.29
281.2105103	0.15
288.0870056	0.13
298.0833130	100.00
308.1522522	0.09
312.1953430	0.09
321.8895264	0.06
334.1579590	0.04
352.0856934	1.70
381.1249695	0.04
409.2355652	2.75
409.9685669	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	404.1539
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
143.9646606	0.05
157.9306793	0.06
161.9880676	0.10
175.0592041	0.37
179.9411011	2.63
180.5935364	0.02
185.0182953	0.08
201.4689026	0.09
207.1311951	12.17
215.0586853	0.04
219.1481171	0.15
225.0213928	100.00
231.2823792	0.02
241.8251648	3.08
242.5133362	0.05
244.3515320	0.11
248.2645569	0.10
253.1751709	0.05
257.2283325	0.17
264.5011597	0.05
268.9441223	0.05
270.4081726	0.06
273.2609253	0.20
284.3522644	0.08
285.6761475	0.32
294.0353699	0.11
297.1409302	0.06
298.0411072	0.04
299.0821533	0.10
302.3715820	0.05
316.1362915	0.13
322.8706665	0.06
327.2043152	0.20
329.0561218	0.28
329.9229126	0.25
339.1183167	0.20
340.0157471	0.09
341.3240356	0.32
343.7709045	0.11
344.4856873	0.04
345.2849731	0.10
346.6193237	0.28
351.2066345	0.14
352.2768250	0.03
355.1927795	0.19
357.8238831	0.25
359.1864014	0.21
360.1335144	0.03
361.8059692	0.14
363.0810242	0.29
368.1328430	0.26
369.1587524	0.69
372.2696228	0.13
373.2283630	0.05
379.7241821	0.04
383.8116760	0.19
385.5056152	1.67
386.5694885	10.47
387.3409119	0.06
393.5195007	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	339.1066
Annotation	1-Caffeoyl-4-deoxyquinic acid
Peak:m/z	Relative Intensity
119.0137100	2.72
133.2508545	0.07
145.1710358	0.06
146.9085083	100.00
148.8568878	0.11
152.8449860	0.16
162.9248657	0.14
165.0016174	0.65
167.2471619	0.28
177.0301514	0.18
192.1324615	0.16
206.9473572	0.60
211.1250916	0.23
218.0911255	0.17
222.2347717	0.69
235.1210938	0.14
245.2328796	0.42
248.8773499	0.30
250.8619385	0.22
251.7573547	0.22
254.3334351	0.26
257.8536377	0.25
264.3170166	0.33
268.9318848	0.46
273.7794800	0.35
277.4071045	0.37
280.9255676	0.07
283.0693970	0.20
293.2429810	0.97
297.2629700	0.25
298.4250488	0.09
303.0426025	1.10
306.9701233	0.16
311.0663147	0.27
316.2190552	0.53
320.9937439	7.90
338.5234070	0.27
339.1539001	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	431.192
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
130.9010315	0.02
142.6050720	0.02
153.0880127	0.84
154.0401154	0.09
158.9074860	0.19
161.0444336	1.25
178.9327087	0.11
205.2114258	1.61
206.0928040	0.25
223.0420990	2.55
224.1647339	0.50
227.0792542	0.04
233.9512024	0.10
254.9658508	0.04
260.3451843	0.03
265.9389343	0.01
271.1261902	0.08
295.6455078	0.02
301.4011841	0.07
307.0838013	0.01
310.4322510	0.02
329.3286438	0.06
374.1670227	0.06
383.3320007	0.02
385.1643372	100.00
386.1426697	13.08
386.7604065	0.09
387.7240295	0.06
388.3525391	0.02
396.0630798	0.04
402.3755188	0.06
412.8401184	0.09
413.4750061	0.03
415.2218933	0.03
416.2465820	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	465.7017
Annotation	Unknow
Peak:m/z	Relative Intensity
135.9720917	0.22
146.1962128	0.43
152.3442078	0.03
165.1082153	0.61
165.9924927	0.16
166.8608704	0.18
171.9521332	0.08
177.1448669	0.03
182.0567322	2.63
182.9810791	0.20
183.9224548	1.16
189.0392761	0.13
195.0939636	3.67
196.0882263	0.40
208.8703918	0.13
212.1220551	3.72
212.9001465	0.24
217.0910492	0.05
227.2158508	0.24
237.3836365	0.05
245.1795044	1.50
246.0788269	0.47
251.2742004	0.35
253.2342834	0.05
255.0761719	1.06
256.3347168	0.19
262.3123474	0.05
270.4497375	0.13
276.9815979	0.09
282.2046204	0.19
285.4980469	0.13
286.1829224	1.64
289.0650024	0.20
294.0821533	0.89
295.1569519	0.11
297.1321106	0.06
302.4483032	0.04
303.2463989	0.05
304.2680664	0.29
309.4072876	0.30
321.9524841	0.22
339.2558594	0.14
345.0292358	0.07
346.2549133	0.82
351.7244568	0.04
357.2887268	0.08
360.2423706	5.62
361.1532593	0.76
366.8531189	0.75
367.7971802	0.19
375.3220825	3.72
376.0215759	0.12
378.1695557	0.09
379.9819031	0.41
380.9710693	0.18
382.1775208	0.23
386.0596619	0.38
393.1717529	1.34
394.7386169	0.32
400.2611084	0.24
401.4685059	0.93
403.0207520	0.23
404.1543884	0.17
406.1303711	0.17
408.9169617	29.72
409.8937073	1.37
412.0213623	0.14
413.6877747	1.08
419.1247559	0.83
419.8992310	0.06
421.2715149	0.31
424.7484436	0.33
425.7132568	0.41
427.7725525	3.01
428.6439514	0.93
430.1926880	0.10
433.8084106	2.52
434.6726990	1.18
435.3072205	0.79
436.2795715	3.09
437.0344849	0.12
438.2786255	0.04
439.8937073	0.34
442.7725525	12.00
443.4695435	5.72
444.2623596	0.18
447.5354004	0.47
448.9204407	50.13
449.8654175	4.32
452.5253906	0.10
457.1301575	100.00
457.8338928	23.52
458.8822937	0.43
459.6407166	0.21
462.4822388	0.10
475.8777771	0.12
487.5910034	0.17
492.2879028	0.08
500.0579224	0.52
510.2242737	1.04
511.6354065	0.24
520.2382812	0.23
521.3657837	0.40
538.1811523	5.62
539.2726440	1.79
540.2225342	0.20
555.3471069	0.40
574.0941772	0.17
575.4916382	0.16
600.0516357	0.07
601.6614380	0.20
605.8726196	0.03
606.4929810	0.11
611.6286621	0.08
617.3943481	0.26
618.5648804	0.09
623.4830322	0.25
628.4295044	0.24
629.6423950	0.14
634.7781372	0.12
643.2603760	0.21
645.4180298	0.27
657.0029907	0.09
659.5725708	0.21
661.1903687	0.21
673.2124023	0.96
674.1435547	0.68
675.2355347	0.18
678.3945312	0.19
679.6766968	0.05
691.1223755	0.51
702.3013306	0.46
703.2578735	0.32
715.8563843	0.07
719.1875000	9.15
720.2607422	2.57
721.1959229	0.21
731.8055420	0.15
732.4359741	0.32
733.4324951	0.10
734.3430176	0.45
749.2640991	2.99
750.0961304	1.20
750.8449097	0.13
751.5177612	0.17
783.9759521	0.12
816.3159180	0.12
827.6088867	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	527.01
Annotation	(N-Sulfoindol-3-yl)methylglucosinolate
Peak:m/z	Relative Intensity
200.0555420	0.05
222.8719177	0.02
229.2659760	0.04
241.0825500	0.46
259.1968994	0.31
285.1361084	0.13
321.0363159	0.85
324.2017822	0.03
337.0332031	0.02
338.4955444	0.15
339.1090698	0.02
346.8635864	0.02
408.2233887	0.12
429.1622925	0.36
430.9718628	0.08
437.9298096	0.02
447.1246338	100.00
479.1098022	0.02
481.0586548	0.01
482.6484985	0.13
492.8706055	0.05
498.1428833	0.06
507.2794189	0.07
508.2985229	0.19
509.1772461	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	296.8
Annotation	Unknow
Peak:m/z	Relative Intensity
175.2223053	0.04
176.0600586	0.03
176.8772278	0.04
196.2696228	0.04
210.8677368	0.14
212.7929993	100.00
251.1723022	0.18
251.9989624	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	323.0286
Annotation	UMP
Peak:m/z	Relative Intensity
96.8760223	11.40
98.9862671	0.70
101.7384338	0.15
112.7099609	0.23
115.2029648	0.16
116.9567871	0.11
119.7274323	0.04
127.0109024	0.29
128.0409851	0.16
135.0655823	2.81
138.0668640	0.12
138.8973236	3.53
144.2489319	0.05
145.1486511	3.15
150.9376221	3.74
154.1305237	0.05
157.0258484	0.10
160.0899353	1.97
160.9731445	5.69
162.9797058	0.10
163.8597107	0.68
169.0088348	0.11
172.0531158	0.17
174.8331604	0.11
177.0542450	0.74
178.9164734	0.15
179.9105988	0.16
182.0319061	1.09
187.2457428	0.31
188.9935913	0.13
191.1065063	0.06
193.0697327	2.34
196.8903503	0.39
197.9978943	0.05
202.0484619	0.38
203.0204010	0.77
204.2494202	0.08
204.9568481	0.12
206.0191650	0.13
209.8092346	0.42
210.9420471	100.00
211.9901428	0.13
214.9547729	0.38
217.6015320	0.07
218.2039490	0.10
220.4719238	0.41
221.1484375	0.18
222.1328125	0.71
230.1071167	0.03
231.0124817	0.13
232.0340576	4.37
233.1041565	21.15
235.0657959	0.05
244.2164917	0.23
245.2180481	0.08
250.8213501	0.10
259.0861511	0.50
260.1252747	0.53
262.1322021	1.16
263.1011047	5.98
264.2230225	0.07
275.1794128	0.05
280.0308228	32.87
286.9470825	0.32
292.4194336	0.68
293.1315918	2.27
294.9129944	0.05
304.1618652	0.12
305.1989746	1.11
322.2067261	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
82.98764038	0.03
93.85287476	0.15
103.3648529	0.13
104.0674133	0.07
107.0800018	0.03
109.1570129	0.12
113.1340942	0.07
121.9201508	0.09
128.9512177	1.22
129.9561005	0.34
137.2633209	0.15
141.0631104	0.21
143.914917	0.05
145.6424713	0.15
147.1941223	0.06
150.9545288	8.52
152.0570374	4.06
152.9365997	0.05
156.1439362	0.11
158.1073456	0.07
158.9926605	0.04
159.8933258	0.03
163.970871	0.23
166.055954	0.19
166.9945526	0.09
167.9347992	0.44
168.7300873	0.15
170.1769257	0.29
171.2001801	0.27
171.9020996	0.16
176.2253113	0.25
178.0648651	0.08
179.0278778	0.71
179.9759369	0.03
182.6338043	0.36
184.0762024	0.18
184.9332123	0.39
186.33461	0.24
188.1887665	0.04
190.1974792	0.23
191.6993866	0.20
195.2491913	0.26
196.9979401	0.07
198.2294006	0.27
199.2014313	0.26
200.2362518	0.38
205.9748077	1.10
206.6592407	0.09
207.5547333	0.09
208.2742767	0.39
210.2408905	0.28
211.2179108	0.13
218.0368195	0.64
225.0561981	0.64
226.0658722	1.24
236.0567627	2.47
237.1264496	0.08
238.1829376	0.87
239.059021	2.32
248.0409088	0.04
251.2153931	0.33
253.095047	100.00
254.113327	11.67
255.0197144	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
109.2599945	0.37
121.1739883	0.21
122.9757996	0.81
124.9447937	1.35
128.9983521	0.46
135.8027039	0.27
139.2828979	1.41
140.8970642	0.59
143.1411133	0.66
146.9670868	1.09
148.8005676	0.19
152.8007507	0.39
156.4298706	0.26
158.1483154	0.36
159.0423279	0.71
162.8181458	0.74
169.1377106	0.19
171.1538086	0.55
181.1304932	3.01
182.2007446	0.56
183.1089935	2.17
195.1029053	2.66
197.3363037	0.27
199.1079407	0.24
201.3730164	0.66
205.1376038	0.51
206.8989868	1.08
208.1512451	0.15
209.3924255	0.42
211.2049866	2.70
213.159729	2.66
215.1249695	2.21
217.0657043	1.39
219.1895142	0.41
220.9513855	0.39
222.9147339	0.87
225.0417175	2.38
229.1728516	0.81
231.3338013	0.27
235.0538025	0.75
237.1713257	1.51
239.2933044	1.55
241.0201111	1.98
248.1444397	0.81
249.2275391	0.88
250.5570068	0.60
251.2095947	2.58
253.0392456	4.71
255.0473022	0.17
257.2544861	0.34
265.144043	1.92
266.7966309	0.43
267.8039551	0.40
269.2645874	1.14
270.0110474	1.80
275.1978455	13.55
279.3177185	0.29
283.1535034	3.50
293.2107849	100.00
294.288147	1.16
295.2436523	0.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	363.1295
Annotation	Dihydrocatalpol
Peak:m/z	Relative Intensity
107.8476105	0.39
113.0045395	1.11
116.9557648	0.04
123.0326538	0.17
127.0460358	0.12
148.9671326	0.05
157.9743805	0.33
163.0478516	0.07
165.1640320	0.16
165.9045715	0.05
167.0205688	2.18
174.9078979	0.13
181.0971375	0.21
181.9182281	0.12
189.3079987	0.05
191.1520386	0.10
195.0608368	2.11
203.1697693	0.09
223.1796570	0.24
229.5536804	0.04
231.0488586	0.72
240.2289429	0.08
249.0596008	17.72
251.0500183	0.09
267.1882629	100.00
271.0785522	0.08
275.2214661	0.20
276.1410828	0.10
283.1189880	0.09
284.9397583	0.08
286.9417419	0.31
303.1306152	0.13
305.3054504	0.08
307.2758179	0.06
309.1963806	0.05
315.2191772	3.57
317.1664429	1.10
319.2757568	0.16
325.2550354	0.33
327.3150024	0.65
328.0009766	0.27
333.1192017	0.14
333.9056396	0.08
343.0253601	0.33
344.5079346	0.66
345.1472473	3.55
345.7615967	0.08
363.1701660	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	672.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
284.2514648	0.07
287.9717712	0.04
306.2244263	0.14
342.3098755	0.06
381.3710938	0.24
393.3375244	0.04
421.9670410	0.07
429.6338501	0.09
468.3190918	0.23
471.1378784	0.03
501.9866333	0.09
509.3680420	0.04
525.1935425	0.13
556.4691772	0.12
568.4069214	0.05
585.4002075	0.07
591.2257690	100.00
591.8855591	5.31
594.8862915	0.07
609.3082886	0.11
610.5046387	0.04
612.4058228	1.63
626.3311768	0.37
628.5368652	0.13
635.5094604	0.20
650.4688110	0.16
654.0768433	0.69
654.6796265	0.04
656.4364624	0.30
663.1600342	0.06
735.2844849	0.15
892.0867310	0.10
959.2659302	0.09
977.2050781	0.72
1018.7993160	0.16
1139.4047850	0.32
1140.1052250	0.06
1183.2285160	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	594.963
Annotation	Unknow
Peak:m/z	Relative Intensity
186.1631470	0.11
219.2074432	0.06
231.0878143	0.09
240.2234497	0.04
264.2371521	0.09
279.5069885	0.03
281.0690918	0.40
290.3885498	0.06
295.2528687	0.03
314.1110840	0.04
318.2451782	0.03
326.4321289	0.09
331.0262451	0.10
334.0066528	0.04
339.2571411	0.15
340.1561279	0.07
343.0580444	0.25
391.2501831	0.03
410.1065674	0.02
414.4588623	0.03
417.1502686	0.09
427.6148682	0.13
433.6847534	0.09
445.3029175	0.03
449.7036743	0.07
450.5021362	0.04
462.7879639	0.09
464.2903442	0.07
480.3143921	0.05
481.4232178	0.07
483.2767334	0.03
505.2019653	0.04
513.9966431	0.12
519.9855347	0.08
520.6478271	0.07
521.6083374	0.06
526.0980835	0.04
527.5963745	0.15
531.0222778	100.00
531.6781006	0.08
532.5605469	0.06
533.1735229	0.02
534.6513672	0.09
535.4521484	0.03
537.3264160	0.02
538.3236694	0.23
539.8599854	0.24
541.4132690	0.23
546.3860474	0.04
547.9396362	0.31
549.4341431	0.25
550.7673340	0.28
551.5587769	0.33
552.3634644	0.09
556.8030396	0.03
558.2102661	0.07
559.3388062	0.07
560.1178589	0.02
565.4737549	0.14
572.7133789	0.03
576.4710693	0.57
577.5342407	0.50
578.7952271	0.23
579.5493164	0.15
580.2839966	0.06
587.4833374	0.10
594.9827881	0.08
596.2182617	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	323.1228
Annotation	Melicarpine
Peak:m/z	Relative Intensity
121.9956818	0.03
130.1446228	0.04
139.0645752	0.04
149.1236572	0.06
152.9885864	0.04
191.0202637	0.02
209.0579834	0.08
223.1128845	0.08
235.1188965	0.01
236.1249695	0.03
241.2135925	0.02
245.3344727	0.03
248.0633545	0.06
251.4027405	0.08
258.0934448	0.10
259.3029480	0.05
274.2982178	0.07
276.0177307	0.02
276.8157959	0.02
279.3213501	0.02
282.4216919	0.04
287.1085815	0.13
291.2827759	0.10
293.1716919	0.15
295.0390930	0.14
301.1022949	0.01
304.2581787	0.46
306.0798340	100.00
309.2534790	0.04
314.6580811	0.07
322.5049438	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	564.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
187.1835327	0.17
204.2210083	0.12
220.0039978	0.14
224.1784668	0.08
255.1192017	0.04
279.3935242	2.32
298.8803101	0.10
307.0862122	0.13
321.1520386	0.24
335.1528931	0.14
343.2775269	0.07
366.1564941	0.15
375.5166016	0.24
409.4930420	0.06
413.5368652	0.15
423.1000366	0.06
433.3263550	0.10
468.2244263	0.11
478.5730591	0.07
480.3778076	0.15
501.9332275	0.19
502.9881592	0.42
504.3408813	100.00
505.2621460	0.99
507.5020142	0.12
510.1038208	0.17
517.2201538	0.10
518.5205688	0.23
520.4331665	0.11
523.3027344	0.09
527.9715576	1.25
533.8842773	0.34
536.3828735	0.09
545.4539795	0.71
546.2902832	0.39
547.0470581	0.05
547.7265625	0.06
559.4009399	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	206.89
Annotation	Unknow
Peak:m/z	Relative Intensity
122.7832794	100.00
176.6332245	0.19
189.1160126	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2209
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
115.0790253	0.27
116.888031	0.46
122.979126	0.37
124.8995056	1.96
126.8292847	0.80
128.9173584	0.22
130.9209595	1.21
137.3778992	0.29
139.0045776	1.11
141.0622559	1.15
143.0740662	1.16
151.8194885	0.79
152.9842529	0.42
154.9212189	0.75
157.1256714	0.51
162.8796387	0.58
166.8493958	0.33
168.7503662	0.89
171.0090485	0.33
172.8737793	0.31
174.2879791	0.30
179.4229431	0.83
180.6165161	1.70
181.3227539	2.39
183.0057678	0.12
191.3442993	0.61
194.9021149	1.76
197.2152405	0.17
199.1022491	1.67
201.3735504	0.95
204.8477783	0.66
207.1735229	0.98
210.5627441	0.22
211.1661377	1.42
213.278656	0.65
215.1988525	0.30
218.2630615	0.37
221.0822144	0.90
223.0714111	0.76
225.2515259	2.17
227.1520996	0.96
233.4902954	1.00
234.1199646	0.62
235.2886658	1.24
236.9052124	1.24
237.5230713	0.13
238.7796936	1.15
247.4735718	0.21
250.2744141	0.45
251.2106323	3.60
252.2722778	0.23
253.1964722	6.63
255.1387329	0.44
257.2295227	0.26
259.6488037	0.50
263.1734009	0.59
264.9863281	4.27
266.0430908	0.65
267.179718	1.58
268.0075684	1.35
269.245575	1.20
270.0137939	0.57
274.6261292	1.59
275.2312012	11.69
277.3924255	0.69
279.2019653	0.45
281.3868408	0.64
282.225647	0.38
283.4755249	2.35
284.2218628	0.94
284.8925476	0.49
290.8601074	0.35
293.2111816	100.00
294.3133545	3.49
310.559082	0.20
311.4835815	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
130.0546570	0.15
174.7261353	0.18
197.0601959	0.53
212.9125519	0.13
230.9222717	0.42
234.3434143	0.28
235.2675171	0.85
243.1722717	0.11
244.5091553	0.04
246.3095093	0.04
247.0553284	0.09
248.0152588	0.39
251.2183838	0.07
251.9809875	0.48
261.0411377	0.21
262.1858521	0.13
264.0456543	0.26
264.9107056	0.55
269.1811218	0.23
273.7102661	0.18
274.7908630	0.31
277.1620483	0.67
279.0867004	2.42
280.2899475	0.23
287.1799316	0.47
293.1151733	0.50
295.1802368	0.72
297.2303467	1.70
298.1167603	3.92
300.9633789	0.24
303.0391235	0.09
307.0325012	51.42
308.1400146	0.12
309.9119873	0.25
312.3027344	0.13
313.2612610	0.76
317.7536621	0.07
319.0946350	73.74
321.0405884	2.95
322.1705933	0.17
323.0497742	0.16
328.6807861	0.26
330.0027161	0.29
330.7885742	1.18
332.7651367	0.33
335.1472168	0.53
336.8728638	100.00
337.5063477	0.24
341.2672729	0.09
342.7911682	0.05
346.2459717	0.76
348.7835083	1.21
349.4375000	0.11
352.1062012	0.05
355.4514771	0.32
361.1347351	0.46
362.0122375	0.26
363.1482849	0.49
365.0137634	2.03
366.9290466	65.05
369.4500122	0.13
373.0154724	0.68
375.3480835	0.05
378.7962952	0.73
381.9320984	7.70
383.0907593	7.03
385.8587036	0.10
390.9794617	9.60
391.6696777	0.09
394.4630432	0.04
396.9679565	0.58
400.9815063	0.07
408.2377014	12.46
409.0627747	72.44
415.3853455	0.13
416.1126404	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	591.1721
Annotation	Cannabin
Peak:m/z	Relative Intensity
174.9986725	0.13
176.0762329	0.32
176.9906921	0.05
179.1505890	0.75
179.8597717	0.06
189.3541412	0.21
190.1764984	1.30
191.1098633	0.76
192.0257263	0.18
193.0044861	1.27
194.1036377	0.12
203.0639343	0.11
205.0880737	6.30
206.1753235	1.04
208.1204834	5.57
209.0578613	0.92
217.2161407	0.14
218.1441040	0.15
220.1698303	0.04
221.1405029	0.03
223.0609436	61.96
224.0721741	8.51
229.7369080	0.04
232.1297150	0.39
233.1035004	0.49
237.4594269	0.16
244.9329987	0.16
247.0941162	3.56
248.0819397	0.23
251.3393860	0.05
259.1467285	0.08
261.3849487	0.02
263.2244263	0.08
264.3128662	0.07
265.0673828	0.35
266.2183228	0.02
273.9375000	0.06
275.1389160	0.12
277.0966187	0.37
278.1065063	0.07
287.2140808	0.04
289.1889648	0.55
290.0831299	0.08
291.0040894	0.02
292.2395630	0.06
293.3150635	0.06
295.2081299	0.08
296.2642212	0.03
299.9016418	0.05
306.0685425	0.15
307.1277466	0.09
308.1112366	0.03
311.0545959	0.07
325.1520996	0.27
326.3450928	0.10
334.1428223	0.10
335.1829224	0.09
336.0692139	0.08
337.3024902	0.07
338.2398682	0.08
342.1739502	0.08
344.4763184	0.08
349.2341919	0.60
350.1545410	0.16
352.1532593	2.06
353.1638184	4.54
354.2913208	0.86
364.4559326	0.08
367.1747437	100.00
368.1939697	24.74
381.1599731	0.13
384.0684204	0.04
385.1928101	2.80
386.3096313	0.24
396.4243164	0.03
412.2497559	0.02
413.3596802	0.04
414.1710815	0.01
429.0588379	0.04
433.0703125	0.09
442.7133179	0.03
453.4869995	0.05
459.3154297	0.05
460.0040894	0.04
469.0325928	0.11
470.8917847	0.03
499.4724121	0.04
502.5734253	0.03
512.9480591	0.03
517.2673950	0.05
520.5197144	0.03
530.9270630	0.07
545.4503174	0.06
546.1209106	0.10
547.2092285	0.07
556.5469360	0.16
562.5420532	0.09
573.2333984	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	716.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
343.3398438	0.03
346.0918579	0.05
378.1697998	0.26
408.2733154	0.07
474.8988037	0.04
499.4285889	0.04
517.3675537	0.07
524.2635498	0.07
553.0820923	0.28
554.4196167	0.20
571.7040405	0.18
579.5690918	0.10
611.9740601	0.10
620.1281128	0.09
630.5061646	0.37
635.2263794	0.09
637.5778198	0.05
649.0604248	0.13
652.0808716	0.07
659.4596558	0.09
669.8462524	0.31
672.3388062	100.00
672.9459839	0.90
677.5418091	0.05
679.8863525	0.36
697.6318970	0.64
698.4048462	0.59
700.7105103	0.11
708.0431519	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	259.0918
Annotation	Ribothymidine
Peak:m/z	Relative Intensity
83.9041138	0.93
99.7453613	0.04
101.9643707	0.05
103.9895782	0.19
105.1995850	0.32
113.1150970	0.03
125.8403931	0.06
127.1153870	0.03
129.9378510	100.00
137.0945435	0.03
138.1644440	0.02
143.0956573	0.01
145.9666595	0.61
163.0634155	0.06
168.6369934	0.03
171.1360626	0.05
173.1291504	0.03
184.8797150	0.05
197.1900330	0.08
197.8430328	0.01
204.8497314	0.04
213.0551758	0.42
214.9316101	0.06
218.1615601	0.44
223.2816162	0.06
231.3634033	0.11
240.0418549	0.02
241.1931000	0.57
244.2582855	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	330.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
102.0400848	0.04
103.9953918	0.01
113.1172714	0.04
128.0096588	0.63
129.7825165	0.05
130.7583466	0.01
133.0948486	0.50
142.9297333	0.06
145.4694214	0.84
146.0985107	2.68
147.1644592	0.06
149.9555969	100.00
178.8992004	0.54
184.0122833	0.03
225.3067932	0.05
229.0487061	0.03
238.0466309	0.04
269.8841553	0.01
282.2543945	0.03
310.1118774	0.06
312.0868835	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	556.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
162.1387787	3.46
223.3769226	0.12
248.9972229	0.12
274.1951294	0.14
277.2741699	0.08
306.0612488	0.28
322.9166870	0.09
327.5015259	0.06
347.0835571	0.08
377.3101196	0.11
393.1762085	0.05
410.1105957	100.00
413.2496948	0.12
415.2498779	0.12
442.8085327	0.06
447.3370361	0.13
466.2104492	0.22
468.1725464	0.04
476.4180298	0.29
490.7336426	0.23
496.1049805	0.06
497.3518677	0.13
516.7249756	0.26
519.3043823	0.07
520.0426636	0.13
522.1445923	0.19
523.5708618	0.87
525.4351807	0.07
528.7005005	0.09
533.5331421	0.04
535.3500366	0.07
536.9719849	0.06
537.9281616	0.64
538.5902710	0.54
539.3275146	0.73
541.0309448	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	399.1209
Annotation	Repensolide
Peak:m/z	Relative Intensity
128.1011353	0.06
130.0794067	0.08
132.1074829	0.13
144.5848083	0.03
160.0615845	11.75
161.3371277	0.10
173.7661133	0.02
176.1784210	0.03
185.2619629	0.11
186.0841980	0.25
187.0042114	0.05
191.9104919	0.05
198.5582886	0.01
201.9903107	0.15
203.8932800	0.14
211.1923828	0.02
214.0777130	0.02
217.3238678	0.07
219.0387573	0.42
220.1497040	0.19
221.1081085	0.08
231.1262207	0.19
233.1968994	0.03
235.0372925	0.01
237.0130310	100.00
238.2499084	0.05
240.2375183	0.02
246.9492493	0.35
248.8646851	0.33
253.5058594	0.11
255.1202393	0.12
261.0343323	0.10
268.1937561	0.01
271.1265869	0.03
279.0772705	2.49
286.2109375	0.16
300.2887573	0.02
302.8479919	0.08
303.6474609	0.08
304.4187012	0.06
315.2807617	0.02
318.2731934	0.02
322.2514343	0.42
326.4299622	0.03
327.1680908	0.09
331.3216248	0.09
332.9797058	0.24
345.2233276	0.70
349.1031494	0.02
350.6828918	0.01
353.9266052	0.01
363.0216064	0.43
364.1932678	0.02
365.2322083	0.03
366.3789673	0.20
367.1612854	0.81
381.1771545	1.20
382.2091370	2.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
130.9253082	1.42
132.9754486	1.06
141.3690186	0.63
151.2727203	0.40
173.1137085	1.38
184.9797211	2.70
187.0849762	0.45
201.0493011	2.67
203.2301941	3.57
213.2955933	1.71
216.9715271	0.28
231.132782	1.49
235.182251	0.26
243.2230225	1.31
245.1008301	0.39
255.3607788	1.47
257.2902832	0.52
261.564209	0.84
271.1631165	1.53
273.1482544	2.46
283.6303101	0.92
285.1771851	9.65
287.5983887	0.88
292.5143127	0.41
295.3381042	4.43
297.2445679	3.22
298.9700623	0.69
302.1381836	0.80
311.1208191	2.79
312.0044861	0.45
313.3540039	6.23
314.3067322	2.85
319.1461182	0.26
321.230896	6.03
321.9247437	1.63
323.2451172	5.70
325.2417908	1.22
329.34729	0.94
337.2657166	1.80
339.2444763	100.00
339.9385986	0.57
341.4024048	17.57
353.4048462	0.67
356.7009888	2.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0763
Annotation	Glutathione
Peak:m/z	Relative Intensity
99.0177612	0.12
115.9458237	0.08
120.0306854	0.36
128.0087433	8.92
143.0395203	8.15
143.9448242	0.18
145.0246887	0.10
146.0741882	0.77
153.2269440	0.17
159.9238739	9.99
167.0403290	1.09
169.1687012	0.19
170.9656067	1.07
177.0507050	6.70
179.0648499	7.83
185.0770721	1.06
187.0822449	0.08
191.9043579	0.38
197.1461487	0.61
203.0377502	0.06
210.0417175	4.45
213.0473328	1.71
228.2573547	0.63
231.1161499	1.55
236.2212524	0.55
242.0044556	0.92
244.1030273	0.19
254.0516357	100.00
260.0684509	0.23
263.2966614	0.05
270.1448975	0.07
272.1009827	93.09
288.0881653	67.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	388.0376
Annotation	Progoitrin
Peak:m/z	Relative Intensity
128.9657898	5.61
135.9100952	28.42
137.1015472	1.16
138.9933777	1.59
145.7106934	5.76
153.8162079	3.21
162.9435425	1.93
169.9709778	1.76
191.9879913	7.24
195.0703430	11.69
196.8861389	0.49
201.0325317	0.60
210.0203247	31.07
225.9591370	2.36
227.1002808	2.87
240.9261780	3.87
248.4257507	0.54
252.0891724	1.94
259.1063843	100.00
272.0282593	0.69
275.0850220	44.29
282.9488525	0.44
290.0328369	1.28
291.2566528	2.87
298.0748596	0.66
301.1159668	17.90
308.2266846	11.09
326.0831909	0.91
332.1304321	69.54
341.0945129	2.69
352.1844177	0.40
358.0529480	1.62
370.0265808	2.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	959.2811
Annotation	1,2,2'-Trisinapoylgentiobioside
Peak:m/z	Relative Intensity
275.2864990	0.10
277.1725159	0.36
287.1410522	0.22
289.1296692	3.88
293.9471436	0.05
295.0846558	0.29
305.2013855	0.25
307.3156433	0.09
313.2597046	0.33
325.2441406	0.31
329.1650085	0.09
330.5791626	0.06
331.1868591	0.82
337.0054016	0.06
349.1989136	0.03
353.3981628	0.14
367.0776367	0.52
371.3381348	0.16
384.8276978	0.62
385.4409790	0.53
399.1456909	0.08
427.3050537	3.96
439.4130859	0.12
457.3139038	2.09
467.3458862	0.17
468.7524414	0.21
469.3603516	3.28
471.3068848	0.03
473.3858032	0.03
479.3584595	0.04
485.6176758	0.20
486.3767090	0.05
487.2390747	2.11
493.3029785	0.23
494.0691528	0.06
495.5384521	0.08
497.1967773	0.46
511.3042603	12.06
514.0125732	0.08
515.3842773	0.25
529.1981812	7.29
529.8442993	0.05
537.1904297	0.04
569.2266235	0.10
587.1768799	0.04
591.0690918	0.05
595.2100830	0.22
619.2730103	0.04
633.2901611	0.32
639.5043945	0.07
655.3294067	0.07
663.3212280	0.08
673.3894653	0.05
675.4067383	0.40
677.1148682	0.16
689.2409668	0.03
691.2745361	0.10
693.4113159	1.36
699.2532349	0.12
716.4354858	0.13
717.3312988	1.45
721.1665649	0.45
735.2569580	100.00
736.0051880	0.51
737.4120483	0.03
753.1928101	3.05
768.4859619	0.03
797.1932983	0.05
881.2201538	0.05
899.2495728	0.06
941.4020996	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	478.2937
Annotation	PC(15:1(9Z)/0:0)
Peak:m/z	Relative Intensity
139.8877869	0.07
153.0187988	0.07
170.9492798	0.03
196.0722656	1.70
213.5421143	0.04
214.1584167	1.00
223.0145874	0.07
224.9849091	0.09
234.8649902	0.03
237.3863373	0.05
250.1628113	0.04
251.4776001	0.04
253.2760010	0.01
254.1163940	0.07
257.3166504	0.05
263.4571228	0.03
281.2953491	100.00
294.8569336	0.02
309.4340820	0.06
316.2655029	0.01
337.1983337	0.10
346.4365845	0.04
351.3565063	0.03
382.2291260	0.05
387.4505920	0.01
388.4319458	0.03
389.0639954	0.02
390.2892456	0.11
393.5433044	0.08
398.6349182	0.04
404.0345459	0.04
407.1252747	0.03
411.4963074	0.04
416.2462463	0.12
417.3692932	0.42
418.2882385	0.11
420.3728333	0.01
421.3572388	0.01
427.1194763	0.03
432.0574036	0.04
433.2927856	0.16
434.9356689	0.10
436.9088440	0.05
442.2891541	0.13
447.1689758	0.06
448.9411621	0.06
450.5603333	0.01
459.1824036	0.05
460.3229065	0.05
461.4852905	0.41
462.5234680	0.10
463.1253357	0.01
477.9933777	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
146.0564728	0.10
160.0173950	0.07
167.1075439	0.08
170.6916962	0.06
177.1354523	0.22
178.9954224	0.23
191.2111816	0.05
197.1785278	0.04
210.3530579	0.07
219.8924408	0.04
249.1979675	0.10
250.1135254	0.14
254.1036987	1.48
257.1843262	0.48
259.2096558	0.09
260.2465820	0.11
261.4246216	0.04
269.0256042	0.14
272.1246338	2.10
288.1641235	0.78
302.9866943	0.05
306.1130981	100.00
309.0182190	0.09
312.9485168	0.10
313.9827881	0.10
314.8812866	0.15
321.1346130	0.07
339.0745850	0.08
339.7733459	0.12
340.4519653	0.07
346.2937317	0.23
357.4197388	0.15
371.3820801	0.03
389.2525940	0.21
390.3127136	0.03
391.0985413	0.11
392.1955261	0.11
395.0197144	0.13
395.9446716	0.07
396.7377319	0.03
413.3475037	0.11
414.1886292	0.11
415.1766052	0.04
416.3085022	1.09
427.5086975	0.34
430.1507263	0.60
431.8875427	0.62
433.0169373	0.62
438.0008240	0.13
440.3292847	0.11
441.3845520	0.12
444.1813660	0.13
453.0453796	0.26
457.4427795	0.84
458.3194580	1.03
459.4293213	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	723.2129
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
202.1282043	0.05
205.0167389	0.18
207.1466522	0.04
208.1030731	0.20
215.0200195	0.22
216.0167389	0.31
217.1605225	0.93
217.9563904	0.02
223.1559601	1.19
224.0949097	0.04
231.1305695	0.66
232.2330627	0.08
233.1428070	0.07
234.9965973	0.51
237.1762085	0.03
241.0429535	0.04
241.9927979	0.08
243.2441101	0.05
244.1890717	0.09
246.0209503	0.02
247.0731659	0.77
256.9436035	0.19
259.1346436	4.38
261.0571594	0.03
262.9627686	0.06
265.3133545	0.18
272.2300110	0.05
274.0324097	0.04
277.1449890	0.24
283.2979736	0.02
287.2885132	0.10
289.1047974	1.15
294.9944763	0.29
301.2086182	0.75
305.2178345	0.29
307.3595886	0.03
315.4721069	0.04
319.2501221	0.11
322.0833130	0.04
322.7867432	0.10
323.3962708	0.12
325.1172485	0.08
331.1146240	0.21
336.9365234	0.10
339.1589966	0.03
353.0051880	0.01
355.0327759	0.05
367.2424316	0.04
371.1535645	0.02
385.2103271	0.47
389.5008545	0.05
397.1271973	0.08
401.1064453	0.01
413.5002441	0.08
421.2512817	0.06
425.2594604	0.01
427.2367554	1.07
437.1500854	0.07
439.2764282	0.07
440.8957520	0.03
457.1968384	0.46
459.3744507	0.05
467.3402100	0.13
469.5786743	0.03
473.3131104	0.03
481.2998657	0.47
485.3666382	0.24
487.2798462	0.65
497.2806396	0.05
499.2261353	100.00
499.8442383	0.28
511.0646973	0.02
511.7578125	0.09
515.2741699	0.40
516.0610962	0.08
517.1528931	0.25
529.2286987	3.79
547.0213013	0.07
633.1461182	0.07
663.2844849	0.32
678.8112793	0.08
687.2694702	0.02
688.1071167	0.01
689.6041260	0.03
693.1942749	0.04
705.1189575	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	988.43
Annotation	Unknow
Peak:m/z	Relative Intensity
301.3565979	0.49
328.5413513	0.72
329.2490234	0.51
369.6387939	0.28
376.2879028	0.31
378.9688110	0.52
387.2346802	0.37
416.3864136	0.08
457.2098694	0.16
460.1573486	0.21
483.3154602	0.33
486.1981201	0.22
523.2937622	0.14
550.3807983	0.29
552.1727295	0.19
560.2358398	0.84
561.2784424	0.11
567.9328613	0.09
572.1990967	0.75
602.8643799	0.18
605.1823730	0.09
608.4248657	0.66
644.7360229	0.52
659.6286621	0.11
675.9420166	0.46
683.4420166	0.28
699.0828857	0.15
700.7961426	0.49
718.5098877	0.12
746.7906494	0.26
754.5560913	0.47
772.5432129	0.44
774.7476807	0.83
780.9676514	0.18
782.2175293	0.51
790.2502441	0.14
826.3897705	0.13
869.3511963	0.14
872.0592041	0.18
892.0814209	1.38
912.7465820	0.88
915.8104248	0.33
919.2933350	2.34
935.1877441	2.53
939.4710693	1.68
948.6029053	1.57
951.1547852	1.67
952.0247803	1.67
953.7631836	4.79
955.4558105	5.42
956.0729980	6.12
956.7091064	0.57
957.4256592	1.45
958.2675781	0.20
958.8793945	0.92
961.8896484	1.03
962.7827148	0.08
963.6253662	4.28
966.0694580	5.75
968.6433105	1.26
969.9477539	6.40
971.9211426	5.74
973.4016113	0.21
974.8582764	0.88
976.3847656	0.48
977.9749756	1.23
988.0794678	0.16
997.7329102	1.41
1001.6091310	1.26
1003.7900390	1.80
1013.7963870	1.82
1015.2430420	2.25
1020.6898190	1.08
1022.3062740	2.44
1037.9040530	0.35
1039.4549560	0.10
1040.0727540	0.68
1041.5141600	1.86
1049.9971920	0.13
1051.3300780	1.25
1053.6314700	0.54
1058.4814450	6.93
1060.4248050	1.31
1062.9846190	0.75
1063.6209720	0.31
1065.7672120	2.68
1067.2135010	1.67
1067.8312990	2.34
1069.2421880	6.29
1070.6665040	1.48
1072.1347660	5.99
1072.8181150	1.34
1074.0056150	7.10
1077.1948240	11.48
1078.4851070	2.01
1080.5244140	4.28
1081.2160640	1.56
1083.9134520	0.11
1085.1022950	1.36
1086.0428470	3.52
1086.8411870	2.14
1088.0439450	8.19
1088.7521970	1.62
1089.7691650	0.92
1090.8869630	4.33
1091.7902830	3.85
1093.0148930	6.67
1093.9721680	2.50
1095.0257570	0.71
1095.8282470	3.25
1096.5330810	3.94
1097.4268800	4.10
1098.5041500	3.79
1099.5639650	0.95
1100.3629150	1.25
1101.4184570	0.32
1102.1165770	2.54
1103.4448240	3.61
1104.2416990	3.90
1105.5028080	0.13
1107.0122070	25.92
1107.6956790	3.62
1108.5744630	1.33
1109.2504880	3.69
1109.9461670	6.00
1110.5522460	0.50
1111.9945070	6.61
1113.2460940	5.81
1114.4464110	10.71
1115.5513920	11.23
1116.8254390	31.03
1117.5361330	11.68
1118.3750000	6.04
1119.8417970	2.47
1121.2799070	8.24
1122.1489260	2.66
1123.4682620	3.31
1125.4606930	21.15
1126.2421880	10.37
1127.3433840	1.32
1128.1264650	5.98
1128.9179690	7.96
1129.6219480	6.98
1130.8468020	30.72
1131.6655270	5.96
1132.2692870	0.11
1133.9493410	100.00
1134.9819340	2.18
1136.3531490	24.02
1137.1151120	8.94
1138.6109620	0.30
1139.4912110	0.11
1143.9364010	1.90
1151.7762450	0.20
1157.2969970	0.76
1160.7351070	0.29
1166.9991460	0.39
1169.2062990	0.17
1170.3226320	1.59
1177.4006350	2.16
1181.6235350	1.73
1195.3586430	2.11
1196.7314450	2.72
1200.5712890	1.96
1202.6472170	1.22
1206.0832520	4.13
1208.7816160	1.65
1219.7939450	1.65
1222.2539060	2.28
1224.1557620	1.91
1226.8613280	1.35
1227.9152830	1.28
1229.1444090	0.26
1231.0158690	1.11
1234.2685550	0.20
1234.9737550	1.97
1235.7814940	1.83
1237.4948730	1.40
1239.9522710	1.95
1240.7265620	1.36
1243.0258790	0.83
1243.6411130	0.37
1246.9559330	6.17
1248.8341060	0.06
1249.9473880	1.80
1250.8652340	2.27
1252.0710450	0.19
1253.6796880	2.54
1254.8640140	1.09
1256.3249510	1.12
1257.6501460	0.49
1259.2553710	1.92
1259.9145510	1.79
1262.3853760	1.67
1265.0035400	4.98
1268.2729490	2.28
1268.9613040	1.68
1269.9638670	7.06
1273.3364260	4.39
1273.9687500	1.54
1275.3114010	4.12
1276.3757320	2.59
1279.3469240	0.32
1279.9633790	4.23
1281.5954590	0.71
1282.6955570	6.85
1284.7130130	6.73
1285.4735110	8.48
1286.2064210	6.84
1287.5318600	4.49
1288.7095950	1.11
1289.4310300	4.58
1290.2467040	0.21
1292.0428470	1.24
1292.7844240	4.37
1293.5338130	1.99
1294.1976320	2.53
1296.3311770	3.60
1297.2271730	4.04
1299.1707760	2.58
1299.9239500	0.70
1300.9439700	1.05
1304.7607420	2.28
1305.9063720	3.59
1307.0544430	1.50
1308.5062260	5.61
1309.5137940	4.17
1311.0487060	10.67
1311.7956540	2.76
1312.5375980	1.46
1313.3132320	2.84
1314.3182370	4.41
1315.0550540	0.12
1316.7227780	2.75
1317.8815920	12.27
1318.6961670	5.57
1319.9364010	3.17
1320.6278080	2.46
1321.8479000	3.94
1322.4771730	2.58
1324.9144290	3.63
1326.9266360	4.79
1327.7821040	20.84
1328.7381590	10.67
1330.0313720	0.69
1331.0006100	5.07
1332.6840820	2.29
1336.0634770	1.01
1340.2531740	2.83
1341.2207030	5.03
1344.3370360	0.12
1346.9338380	2.41
1354.6473390	0.51
1366.3514400	0.86
1374.4532470	0.69
1377.2161870	0.56
1395.9852290	0.22
1396.7473140	1.21
1397.8115230	1.00
1400.5013430	0.77
1403.0921630	1.13
1405.4754640	0.29
1407.5888670	0.74
1409.7360840	1.88
1416.2573240	1.26
1418.9912110	1.40
1424.9405520	1.80
1430.4744870	2.09
1432.0537110	0.77
1436.5314940	1.50
1438.0676270	0.61
1439.6431880	1.68
1444.7642820	1.33
1445.4843750	1.75
1447.5151370	1.94
1450.0562740	0.71
1451.9896240	1.28
1458.9407960	0.12
1460.7174070	0.24
1463.3353270	2.85
1464.9693600	2.55
1470.0045170	1.19
1476.5034180	0.80
1477.1041260	0.77
1478.3516850	1.82
1479.9597170	0.09
1483.3284910	0.73
1484.2484130	1.70
1486.4636230	0.54
1487.7135010	1.29
1489.3109130	0.56
1492.4674070	1.69
1493.3792720	1.79
1495.9866940	1.17
1496.9826660	1.26
1498.3145750	1.62
1504.4420170	1.31
1506.0423580	1.46
1517.1705320	3.46
1518.1926270	2.86
1521.5369870	3.40
1522.3870850	0.52
1524.0688480	1.85
1525.7569580	2.91
1529.2016600	3.23
1530.0355220	0.88
1531.2429200	1.10
1535.6678470	0.92
1538.7908940	1.51
1540.3967290	0.94
1542.1901860	1.78
1545.4411620	1.41
1546.4021000	0.80
1553.3154300	1.14
1554.3966060	1.31
1555.3305660	0.60
1556.1218260	0.28
1558.4927980	1.08
1559.1348880	0.68
1568.1896970	3.42
1571.5396730	1.09
1575.2678220	0.96
1578.6973880	0.90
1582.2132570	4.25
1583.2069090	2.18
1586.2010500	0.92
1588.3551030	0.43
1590.4057620	1.36
1592.5643310	3.16
1593.3068850	2.94
1594.0415040	0.94
1594.9334720	2.01
1597.1671140	1.66
1599.8697510	1.41
1603.5653080	0.13
1606.2235110	7.54
1607.1643070	3.52
1611.2072750	1.16
1611.9401860	0.46
1612.9327390	0.96
1615.9478760	1.09
1618.4608150	2.79
1623.1390380	1.27
1629.3258060	0.75
1630.7014160	0.33
1632.6451420	0.97
1636.5477290	0.50
1638.7091060	3.70
1643.1475830	0.88
1647.4837650	0.93
1648.5377200	1.61
1713.7248540	0.36
1719.2615970	0.46
1722.5340580	0.68
1726.7907710	0.12
1746.6527100	0.57
1752.9606930	0.43
1765.0460210	1.17
1766.5892330	1.34
1770.5958250	0.39
1775.7795410	0.29
1777.5186770	0.11
1788.6569820	0.30
1820.7517090	0.66
1822.8182370	1.33
1828.9367680	1.28
1860.1911620	0.16
1870.2948000	1.37
1872.4276120	0.47
1880.1514890	0.14
1882.2535400	0.89
1882.8620610	0.31
1905.5084230	0.58
1906.6812740	0.24
1934.4378660	1.50
1944.9119870	0.75
1952.0291750	0.14
1960.0892330	0.16
1971.8942870	0.76
1982.9206540	0.18
1990.4743650	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	268.1032
Annotation	Zidovudine
Peak:m/z	Relative Intensity
96.9028625	0.04
131.9922180	0.95
132.8103943	0.03
135.9448395	100.00
137.1083069	0.09
142.1157684	0.22
148.0589142	0.04
153.8969879	0.18
168.0956726	0.02
172.1501923	0.12
175.8910980	0.05
210.7035065	0.18
220.3719330	0.07
222.2138214	0.21
223.4752045	0.04
226.1944885	0.05
231.6526642	0.05
239.1968994	0.18
241.2137299	0.05
245.1449432	0.03
249.5937500	0.08
250.2351837	0.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	405.95
Annotation	Unknow
Peak:m/z	Relative Intensity
130.9136658	0.74
132.0539551	0.17
146.1705933	0.28
154.0713806	3.85
173.0379333	1.64
174.1321106	0.92
175.0728455	0.30
176.1190796	2.14
192.0149689	3.52
192.9503479	1.30
194.0810699	1.31
212.1655731	0.06
222.3258209	0.07
237.9232483	11.41
254.0292053	2.15
257.2245483	0.27
276.0301819	2.20
321.9022827	6.81
338.0779724	0.17
359.8174438	100.00
360.5097351	0.21
363.2315979	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	607.2539
Annotation	Phaeophorbide b
Peak:m/z	Relative Intensity
187.1547089	0.16
199.8705750	0.03
209.9206238	0.04
216.1974487	0.06
225.9812622	0.03
246.2435303	0.06
255.2209167	0.06
261.0569763	0.18
265.1857910	0.03
281.6399231	0.12
291.4239502	0.09
298.2860107	0.06
301.2093201	0.07
317.4926147	0.13
323.0844421	0.02
328.2471924	0.22
332.2550659	0.09
336.0955811	0.10
345.3870239	0.06
347.4189453	0.07
351.0914917	0.12
354.5738525	0.03
370.7802734	0.02
372.3898926	0.23
378.5377808	0.06
380.3146362	0.08
382.3172607	0.02
385.3784180	0.04
386.4584961	0.05
404.7507935	0.03
413.8078613	0.26
415.4215698	0.28
420.4378662	0.04
422.3287354	0.20
428.3817139	0.12
434.5361328	0.06
436.4675903	0.04
438.8586426	0.11
441.4859619	0.04
442.3952637	0.33
443.9820557	0.44
445.5036011	0.17
446.4456177	0.23
448.1567993	0.06
454.5102539	0.03
457.4991455	0.07
459.3726807	0.17
459.9911499	0.24
461.4062500	0.15
463.7195435	0.02
469.1696777	0.03
472.8388062	0.19
474.0219727	0.56
474.8172607	0.35
475.4799805	0.75
476.1976929	0.57
477.3971558	0.47
478.3511353	0.07
479.3937378	0.09
483.7081299	0.04
485.6809692	0.14
486.3909912	0.05
487.3770142	4.63
488.4350586	2.02
489.6774902	0.39
490.5584106	0.07
491.4114990	0.07
492.3139038	0.27
501.1916504	0.85
502.4834595	0.90
503.5510864	0.15
505.4564819	0.36
506.5599365	0.19
507.3757935	0.41
508.3441162	0.06
509.4974976	0.03
513.3918457	0.34
515.5808105	0.03
516.2676392	0.19
517.6082764	0.37
519.3732910	17.91
520.3539429	6.73
521.5131226	0.82
526.4557495	0.13
527.6010132	0.17
529.4291382	2.76
530.3552856	3.08
531.5820312	0.58
532.4691162	0.10
533.4273071	0.40
534.4253540	1.57
535.4907837	0.28
536.5230713	0.06
537.3942261	0.09
538.4515991	0.08
539.5592041	0.05
540.4431763	0.06
543.6163940	0.10
544.5094604	0.06
545.3856812	0.11
547.3562012	100.00
548.3588867	65.84
549.3294678	6.37
550.1658325	0.45
551.4353638	0.89
552.4871216	0.50
557.2379761	0.98
561.3545532	4.64
562.4608765	2.49
563.6184692	0.31
564.9160156	0.23
566.3759155	0.06
571.2836304	0.11
572.3933716	0.09
573.4318848	0.08
575.3445435	3.74
576.3881226	1.74
577.4179688	0.30
579.3443604	95.75
580.4135132	70.64
581.4606934	5.66
589.3534546	5.93
590.4047852	5.97
591.4968262	0.72
592.4247437	0.06
607.3792114	0.58
608.8375854	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	737.2264
Annotation	Helonioside B
Peak:m/z	Relative Intensity
206.9540405	7.50
208.1507874	0.10
211.1855316	0.06
219.2731476	0.18
225.1206970	0.36
232.6195526	0.07
235.0397339	0.33
238.9631195	0.06
239.8739777	0.20
245.3120270	0.09
261.0070801	0.34
262.9152222	0.31
269.1403198	0.10
273.0360413	0.02
282.1561279	0.08
287.2001038	0.14
289.2226257	0.24
290.9737854	0.56
303.2283325	0.24
315.1933594	0.72
321.2135010	0.40
333.0641479	0.65
334.1304932	0.09
339.0894775	0.12
351.1380615	12.90
352.0849304	0.77
352.8371582	0.09
355.3540039	0.09
369.0426636	100.00
370.1541748	4.68
371.1916504	0.13
381.1016235	0.06
383.8704834	0.06
392.9790039	0.14
403.1124268	0.56
421.1905518	0.49
428.2622070	0.04
472.2938843	0.20
477.1132812	0.09
493.2407227	0.12
503.0720825	0.05
510.9481812	0.07
539.0034790	0.11
547.2753296	0.16
557.1552124	0.33
565.2802734	0.51
575.0261841	2.73
575.8698730	0.32
583.4193726	1.12
584.4933472	0.25
590.5104370	0.13
619.0337524	0.03
656.4194946	0.14
670.9196777	0.05
676.5570679	0.03
683.0590210	0.13
694.6998291	0.16
699.9328003	0.16
700.9834595	0.99
710.5873413	0.24
717.8104248	0.07
719.0117188	0.54
720.1748047	0.18
738.9595337	0.09
742.1508789	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	384.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
128.1165161	2.16
143.0684204	2.46
144.9139709	0.27
146.2956696	0.32
152.8686218	0.13
160.0776978	0.07
165.1520081	0.11
167.1417236	0.11
168.8155518	0.13
169.4348450	0.19
170.1467896	0.14
170.9717712	0.18
174.9927521	2.46
179.0280457	2.26
182.0483856	0.20
185.1073303	0.89
188.3422546	0.19
193.0604553	0.12
194.2273254	0.04
197.0834351	0.63
198.0698242	0.20
203.1209717	0.45
209.1084900	0.39
210.0412140	1.66
210.8352356	0.17
220.9745636	0.41
222.0083008	0.49
228.1613770	0.07
228.9218750	0.19
234.0794067	0.09
236.1341858	0.93
237.1906128	0.37
251.9896545	0.08
254.0673828	18.81
255.1214294	0.54
263.3141174	0.12
265.4096680	0.18
268.1206360	0.14
269.7026367	0.14
272.2022705	100.00
286.1613464	20.15
289.9517212	0.07
290.9711609	0.10
304.0867920	89.93
304.9722290	0.14
316.2754822	0.97
318.0076294	0.15
322.3625488	0.04
323.2666931	0.09
337.2936096	0.05
338.1601257	1.78
339.5508423	0.33
340.2602844	0.12
342.0991821	0.26
348.0912781	0.07
355.0296936	0.78
366.0837708	16.96
367.3179932	0.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	358.0269
Annotation	Sinigrin
Peak:m/z	Relative Intensity
105.8230438	0.83
113.3049164	0.74
115.9060211	6.84
119.1247406	1.63
126.7381058	0.34
128.7284088	2.19
130.9663086	0.35
132.8379822	0.99
134.9426880	8.98
139.0869141	0.36
143.0447693	1.00
145.0638733	1.90
161.9790955	41.99
163.0209656	2.47
165.0932617	0.63
166.9486084	1.76
179.9872284	17.28
195.0137024	7.04
196.0444641	2.76
209.1388092	0.30
212.1504517	0.74
226.9976196	9.75
237.9972534	0.75
240.9747314	8.29
241.5956421	0.17
251.1864319	0.62
259.0958557	100.00
274.1026306	4.75
275.1009827	44.04
278.1710205	9.48
311.1647949	0.93
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	772.2621
Annotation	Sibiricose A4
Peak:m/z	Relative Intensity
225.0910034	0.36
235.0903625	0.05
242.4242859	0.14
246.3575439	0.03
247.2750244	0.14
273.1369019	0.04
287.0645142	0.08
288.9831848	0.07
291.1833191	0.20
303.3994751	0.03
304.0422058	0.03
332.9697266	0.16
350.4548340	0.34
351.1093140	6.96
352.3637085	0.28
366.8590698	0.15
369.0661621	25.30
370.1489258	3.24
383.2826538	0.09
386.6498413	0.09
435.1508179	0.03
475.3358765	0.09
481.3186035	0.04
531.0223389	100.00
532.0040894	17.99
532.7617798	0.13
544.4044800	0.21
574.1240845	0.11
575.4518433	0.08
579.8771362	0.20
587.4794312	0.07
610.3914185	0.12
624.2235718	0.13
638.6362915	0.22
669.4220581	0.06
670.5266724	0.07
673.8823853	0.08
683.4563599	0.06
686.7820435	0.10
692.3817749	0.10
708.3375854	0.27
719.8961792	0.07
723.5051880	0.23
736.5275269	0.25
737.1425171	1.25
738.2105103	0.21
754.4501343	0.03
755.1858521	0.10
758.7907104	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.0638
Annotation	4-Methoxyglucobrassicin
Peak:m/z	Relative Intensity
138.9625092	1.77
158.0760803	3.11
168.9921265	2.50
204.0781860	6.47
226.9876251	6.61
229.0797729	2.77
235.1363525	18.81
254.3024292	2.17
259.1805115	100.00
275.0905457	76.31
281.1034241	3.78
283.8862305	1.15
286.0567627	3.71
291.0478516	22.56
299.1293945	8.74
397.2278748	1.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
157.1207886	1.24
169.2289886	5.61
187.0245667	4.85
215.454834	2.46
225.3000793	2.48
245.2065125	2.84
258.8031616	1.72
276.2951965	1.34
281.1190186	9.63
283.5758667	3.44
295.9751282	4.46
308.002594	9.06
312.2075195	1.43
319.3216553	5.86
324.2175903	6.16
326.0527954	2.75
327.7228699	5.32
340.3739319	2.48
343.3045044	3.62
345.3348999	1.82
354.2505493	6.33
355.4432678	2.78
356.4514771	2.01
357.3518677	4.99
365.08078	7.13
370.0343628	12.29
372.4947205	11.92
376.9006042	3.03
379.3181763	1.24
380.1205444	0.86
385.205658	3.35
389.1018372	1.23
392.3979797	3.09
397.6817932	4.79
398.503479	9.38
401.3334045	5.91
405.9411316	1.03
408.2826843	100.00
409.1807861	36.13
411.2170715	6.71
417.4615784	4.56
426.4410095	3.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
86.8591156	0.14
88.7279358	0.44
96.9046631	0.46
98.9441071	0.21
106.7274857	0.11
115.9409637	12.82
119.0450287	0.12
127.9531860	0.07
129.0270386	0.23
130.0567017	0.41
142.9191284	0.15
144.1929932	0.26
146.2308960	0.30
158.0583954	1.65
160.0644073	0.96
162.1763458	0.39
163.9661560	0.10
170.0354919	1.03
172.1369629	48.91
174.1839600	0.31
176.8556824	1.54
179.0416870	0.41
179.9986267	0.42
184.1422424	1.05
185.8917389	0.49
188.0980225	100.00
189.0109558	0.11
189.9410095	0.60
196.2236328	1.03
197.2801208	0.30
200.0598755	0.78
201.0451355	0.14
202.0717468	0.10
204.0288086	13.24
209.3027039	0.64
210.0265503	2.88
212.1895752	0.20
214.0489807	94.67
214.9800415	0.23
216.1633606	8.78
218.0971985	3.59
221.7911072	0.05
223.8779907	0.36
225.4295349	0.39
226.1389771	1.02
227.2672119	0.21
228.1048279	1.72
231.2382812	0.06
234.2813721	0.05
242.1057129	0.86
244.0634766	2.00
244.9867554	0.07
246.1722107	20.10
249.2774658	0.06
252.2091064	0.17
254.1647949	2.33
257.9216919	0.23
260.0188599	0.85
261.0838013	0.69
262.0076904	0.91
267.9618530	1.81
269.9212036	2.86
272.2248230	5.47
276.0974731	0.48
278.0905151	21.96
278.9497070	0.04
285.8713989	0.26
287.1790466	0.60
288.2432861	60.24
289.1983643	0.22
292.1385498	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	885.2659
Annotation	Kaempferol 3-isorhamninoside-7-rhamnoside
Peak:m/z	Relative Intensity
259.1755981	0.67
260.0657654	0.03
265.3445129	0.13
274.1524048	0.01
275.0311890	0.07
277.0791016	0.09
289.2543640	0.27
290.1834106	0.01
301.3017578	0.17
304.9793091	0.03
337.3042603	0.02
367.8896790	0.01
385.3159180	0.03
428.4285889	0.06
438.8831787	0.04
439.6536865	0.04
440.8056030	0.07
457.3903198	0.13
481.4676514	0.08
485.0982666	0.01
487.3538818	0.32
488.5044556	0.07
499.2220459	27.33
500.3187256	2.84
516.9995117	0.06
529.1731567	0.21
530.0106812	0.03
600.1806030	0.03
601.4000854	0.02
661.5762329	0.07
664.6124878	0.01
687.4469604	0.03
705.6546021	0.11
723.1653442	100.00
724.2019043	16.03
765.1168213	1.00
766.1809692	0.53
787.7326050	0.06
789.9860229	0.01
807.2026978	0.01
825.4172974	0.28
862.3676758	0.08
867.3248291	1.09
868.1771851	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	429.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
127.8909302	0.19
134.0891418	0.07
168.0532990	0.02
171.9160767	0.13
220.0578003	1.68
221.0007324	0.08
245.1427917	0.03
256.0201111	0.03
263.9749451	9.58
264.9146423	0.12
265.9071960	0.13
281.9152832	0.10
290.2679443	0.03
291.1734924	0.59
293.1096802	0.01
308.7102051	0.14
327.3126831	0.08
339.9829712	0.03
340.9757690	0.02
343.2234497	0.04
345.5339355	0.03
365.1231995	0.07
366.3997498	0.42
383.1849365	100.00
385.1062622	20.50
385.9154663	0.04
391.1483459	0.02
391.8550110	0.04
400.9002991	9.92
401.5026245	0.03
410.2041016	0.20
411.0621338	0.31
412.1666870	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	522.977
Annotation	Unknow
Peak:m/z	Relative Intensity
180.0382843	0.07
209.1952057	0.06
249.0957336	0.01
258.6596680	0.03
259.2793884	0.06
272.3046265	0.01
274.7239380	0.02
278.2906494	0.01
285.9272461	0.02
290.1124268	0.01
302.6005859	0.04
304.2821655	0.01
312.1300049	0.03
313.2971802	0.18
329.7710571	0.04
345.0226440	0.02
347.8630981	0.02
358.3250122	0.17
372.0355225	0.02
396.2505493	0.03
420.2893066	0.02
422.0818481	100.00
422.9318237	0.02
424.1460571	0.07
425.4051514	0.01
432.8199463	0.12
445.3729248	0.08
459.1304932	0.18
461.8950806	0.03
476.9442139	0.08
493.1896362	0.01
504.0232544	0.04
505.2496948	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	281.2467
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
82.99409485	0.53
85.04322052	1.27
92.95901489	0.40
94.97679138	3.09
96.6206665	1.29
98.95864105	0.68
100.9558182	1.32
107.0206451	0.47
109.0883942	4.59
111.047821	5.44
113.0360336	0.82
119.1855011	0.57
120.9414825	3.27
123.0232239	3.43
125.0208588	1.97
127.0172729	0.83
133.0779724	1.79
135.1025391	7.10
135.8465271	0.18
137.079895	2.03
139.1081848	1.08
140.1920776	0.24
146.9294586	5.31
149.1056976	9.25
151.1838684	1.47
152.1199341	0.26
154.9865112	3.80
157.1289368	0.21
158.1734619	0.50
161.0382843	4.93
163.1502533	5.52
165.1737518	1.39
166.9959106	3.23
168.8218842	7.01
171.3234863	0.40
175.2090607	8.85
177.0409851	3.69
179.0736389	1.63
180.8282166	2.71
183.100235	8.53
185.313446	4.08
187.0544128	1.08
189.2141113	5.57
193.122345	2.08
194.8927917	0.28
197.2229614	6.02
199.1225586	13.47
201.0866699	0.28
203.2371216	1.91
205.0762939	6.49
207.2237549	3.02
208.8448486	1.26
211.2354431	8.70
217.5509644	1.01
219.2944641	3.30
221.4320679	1.37
222.1517029	0.31
223.1314087	7.03
225.1940308	9.56
228.618042	0.43
229.3169556	0.70
233.2888184	1.75
235.146698	2.42
237.5078125	1.36
238.6993408	0.73
239.3101807	5.18
240.0615234	1.78
243.2646484	2.05
245.2261353	89.76
250.2961731	0.82
253.2299194	3.88
253.9263611	0.24
258.1412354	1.41
263.2402954	100.00
264.1148682	0.70
264.9070435	1.56
272.0007629	2.69
272.8638611	1.61
281.0471191	1.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9963837	0.23
154.9785309	0.27
172.9248657	2.02
185.2060852	0.06
186.9160767	0.06
190.9877930	100.00
213.0664978	0.10
223.2746277	0.08
224.8351593	0.05
226.0160828	0.11
229.1314392	0.05
245.1742554	0.05
254.9166565	0.05
273.0893860	0.27
282.9670715	0.02
287.0542297	0.07
289.0206299	0.07
290.1757507	0.05
298.9368286	0.43
306.2903442	0.22
315.8651123	0.11
317.0853271	1.97
322.8991699	0.07
330.3554993	0.03
331.9589844	0.03
333.1086426	0.05
355.8155518	0.04
357.1924744	0.19
358.9757385	0.22
361.1334534	0.16
376.9755249	0.16
384.9945068	0.14
402.0647888	0.31
403.1128540	2.93
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	605.24
Annotation	ES 242-1
Peak:m/z	Relative Intensity
191.1017456	0.13
220.8736877	0.16
223.0060577	0.08
237.1738892	0.24
249.1495667	0.47
251.2071838	0.15
263.1644897	0.62
266.4425049	0.41
271.2166443	0.12
274.1474915	0.96
276.9161682	0.09
287.1877441	0.41
300.9944458	0.28
302.0927124	0.79
314.0003052	0.25
319.0300903	0.97
322.9953613	0.69
341.7626953	0.11
345.4043579	0.27
350.5160522	0.39
351.2898560	0.21
361.2340698	0.17
366.3134155	0.18
368.5283813	0.16
369.2059937	0.22
381.3336182	0.20
400.2795410	0.32
402.2381592	0.30
409.6361084	0.09
420.4763794	0.16
424.0103760	0.60
427.4009399	1.04
435.2899170	0.17
437.2897339	0.30
439.2764893	0.27
441.6639404	0.06
444.6187744	0.40
450.3165894	0.22
456.4357300	0.09
459.2041016	0.49
460.4267578	0.66
462.2112427	0.19
463.4011841	0.48
465.4302368	0.15
469.2161865	0.47
470.5696411	0.21
471.4546509	0.14
472.4527588	0.41
473.3722534	0.48
475.3054199	8.16
476.4589233	3.65
477.4588013	2.04
478.2911377	0.19
481.4014893	0.21
483.3377686	1.92
484.4030151	1.90
485.3590698	3.23
486.9769897	1.31
489.0843506	0.88
490.5924072	0.07
491.3110352	0.22
493.4039307	0.16
497.4389038	0.23
498.2780762	1.18
499.4490356	3.25
500.3987427	2.55
501.5219116	2.67
502.6856689	0.41
503.4683228	3.13
504.3584595	1.34
505.4246826	2.19
506.4163818	0.51
511.2265625	2.31
512.5638428	0.50
513.3457031	1.56
515.2544556	12.62
516.2901001	23.53
517.3177490	26.92
518.2980347	4.75
519.5684204	0.73
523.5786743	0.97
524.3510742	0.34
527.2225952	4.84
528.4156494	3.51
529.3742065	10.37
530.3645630	2.84
531.4430542	2.70
532.2330322	1.27
533.6768799	0.40
535.1460571	0.90
537.5157471	0.16
540.1401978	0.17
541.2987671	0.46
543.4221191	3.55
544.7483521	5.41
545.3937988	38.23
546.3718872	18.80
547.3781128	4.29
548.3491821	1.92
549.3201294	1.55
550.4247437	0.21
554.0449829	0.36
555.3397217	4.71
556.2971802	1.35
559.4266968	4.18
560.6998291	2.20
561.6017456	1.47
562.4664917	1.81
563.1039429	0.12
563.9246826	0.20
569.0481567	1.84
570.0054321	0.82
571.4966431	0.16
573.2846680	18.96
574.3303223	7.51
575.3618774	4.18
576.3752441	13.63
577.4116211	8.43
578.3833618	3.89
587.3583374	100.00
588.3477783	31.24
589.2105713	0.06
605.3147583	2.21
606.1855469	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	551.1768
Annotation	Lactucaside
Peak:m/z	Relative Intensity
164.8705444	0.83
177.9668579	1.10
179.0950928	0.04
181.3318634	0.05
193.0120239	12.60
195.0387878	1.86
207.0472717	0.10
209.4114075	0.15
227.1458893	0.09
234.9190521	0.30
266.2668762	0.09
280.9340210	1.49
308.4935913	0.04
327.0808716	1.57
338.0900879	0.09
341.2494507	10.77
343.9801025	0.21
345.0642700	0.05
347.0337524	0.25
353.3359375	0.07
355.1727905	0.50
359.2886963	0.18
371.2223511	0.66
377.3206177	0.26
383.0545654	0.33
387.2265625	0.04
389.0831909	100.00
389.6889648	0.60
396.5358887	0.15
397.1942749	0.06
400.1315308	0.16
402.8125000	0.05
403.5068359	0.08
413.2150879	0.07
416.3416138	0.04
431.2396851	2.00
441.4092407	0.03
443.1303711	0.90
447.1033936	0.04
449.0707397	0.09
459.2052612	0.10
461.0908813	2.28
463.3249512	0.06
470.1071777	0.05
476.2084351	0.31
477.4736328	0.10
488.3484497	0.18
491.0137939	6.79
496.1289673	0.06
496.9253540	0.02
504.8539429	1.03
506.3851929	0.36
507.2323608	0.17
513.1574097	0.26
513.7849731	0.04
515.1312256	0.37
519.1944580	0.07
520.4665527	0.49
521.9136353	0.11
530.8687134	0.03
533.4077759	1.48
534.7300415	0.19
542.0341187	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	548.69
Annotation	Unknow
Peak:m/z	Relative Intensity
212.9225006	0.09
232.0715027	0.17
250.8117371	0.13
284.9080505	0.28
292.7135010	0.14
297.0415344	0.12
298.5386963	0.10
315.0649414	0.30
337.8898315	0.10
355.0010376	2.15
370.9889526	0.84
372.8698120	1.37
373.9128418	2.11
374.7672729	1.56
380.6886597	16.92
381.3510742	0.17
384.0729980	0.21
385.0673828	0.09
386.8745117	0.30
388.8818359	0.22
390.8347778	0.49
392.4223633	0.44
393.1136475	2.16
394.3685913	0.16
396.8770142	0.10
412.2927246	0.67
413.1479492	0.30
429.1440430	0.12
447.5724487	0.11
449.9555054	0.45
460.4448242	0.47
461.5623779	0.62
462.5482178	0.77
464.5962524	100.00
465.2842407	0.52
479.7476196	0.07
480.8316040	0.25
487.6929321	0.36
489.0913086	0.94
501.7800903	0.23
505.8760986	0.30
529.3864136	0.43
547.9641724	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	691.1871
Annotation	Rupestrin B
Peak:m/z	Relative Intensity
337.2066650	16.36
353.2270508	100.00
361.1328125	0.11
391.6528931	0.08
449.5487061	0.02
493.4807739	0.39
517.2453003	0.14
522.3264160	0.12
527.2827759	0.16
528.1591187	0.06
529.5416870	0.35
569.0763550	0.09
599.5946045	0.12
645.2012939	0.11
655.4333496	0.30
669.6045532	0.23
672.7979126	0.06
673.5408325	0.08
682.3777466	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	367.105
Annotation	Unknow
Peak:m/z	Relative Intensity
112.9959106	1.53
114.9753494	0.53
125.0252075	1.07
133.0345154	0.13
134.9707794	1.24
139.0802002	0.24
142.8824158	0.24
143.9499817	0.16
145.0301666	0.30
149.6115265	0.20
150.9295197	0.27
155.9262695	0.94
156.9346619	4.87
158.5968018	0.03
160.0904694	0.30
161.0711365	2.34
162.3698883	0.30
163.0751953	0.03
165.8106079	0.10
167.9920959	1.18
169.0290527	6.68
172.9641418	0.09
174.9747314	0.81
179.1011963	0.84
186.1556702	2.69
187.0369263	10.15
191.1259308	0.31
192.1992035	0.09
193.1203308	0.07
204.0182495	3.69
204.9949493	22.05
216.0290222	0.09
217.1016388	0.49
218.1387329	0.30
219.0533752	0.07
220.2401123	0.08
223.9465942	0.11
231.2412415	0.22
233.2174988	0.04
235.8627014	0.16
246.1089478	0.24
247.1384888	1.26
258.0410767	0.06
259.1888733	0.29
260.8400269	0.10
261.8815308	0.18
264.3275452	0.07
269.3078003	0.03
276.0906677	18.08
277.0629883	100.00
288.8710938	0.35
290.0066528	0.08
295.3527527	0.02
304.4248657	0.14
306.3201599	1.93
307.1847839	9.31
319.3204346	0.15
320.1191406	0.05
323.0520325	0.08
330.2865906	0.26
331.1950073	0.18
335.1859131	0.21
336.2543335	0.87
337.0915833	2.76
349.0830383	6.97
350.1063843	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	644.64
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9702759	0.19
241.3509674	0.13
243.0302429	0.13
263.7271729	0.10
264.4392700	0.10
282.2403564	0.64
283.1241455	0.22
294.9112854	0.16
296.7462158	0.38
300.0841064	0.59
316.9880981	1.60
323.1054688	0.06
329.0267334	0.60
333.4324646	2.07
334.2009583	0.79
334.9471436	0.06
339.8497314	0.14
342.2013550	0.07
342.9769897	0.13
349.1462402	0.45
351.0624390	0.16
354.1410522	0.42
362.2377930	0.16
368.5239258	0.61
369.8604126	0.26
377.9119873	0.17
391.1685181	0.25
393.0822144	1.08
394.3096924	0.16
397.9509277	0.20
400.0747070	0.27
410.0118408	0.20
418.0786133	7.42
418.9571533	1.60
419.5928345	0.03
423.2106323	1.45
423.9838867	0.20
428.8713379	0.13
430.9778442	0.10
437.5675659	0.23
441.0708618	3.64
442.2265625	0.51
447.4370728	0.36
450.9285278	1.46
451.7944336	0.19
455.0474243	0.50
455.6937256	0.10
456.3488770	0.10
460.1325684	4.84
461.0414429	0.27
465.1415405	1.30
468.9191895	3.34
469.8606567	0.81
470.9158936	3.82
472.2166138	0.70
476.7617798	10.07
482.5619507	0.66
483.7906494	0.23
484.9520874	0.16
488.8156738	1.30
490.1126099	0.70
494.3557129	0.15
495.1536865	0.31
503.3022461	0.55
511.0315552	9.84
512.0501099	1.09
514.1868286	0.22
517.0852661	0.26
523.8125610	0.19
527.0195923	0.15
528.8628540	0.40
530.3470459	0.22
532.0695801	1.17
555.0671387	0.33
557.2520142	0.20
558.0637207	0.14
558.9952393	0.53
560.5634766	100.00
561.2609863	0.24
565.1323853	1.42
566.2285156	0.76
583.3087769	1.06
584.2802734	0.42
596.9928589	0.16
599.3236694	0.20
601.1574707	30.64
602.1349487	3.46
627.0241699	0.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0852
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
104.0449371	0.51
106.1553497	0.23
107.0119781	0.51
127.6551208	0.15
129.0622559	1.31
129.9621735	0.69
151.0313568	14.51
152.0575104	14.15
153.0451355	0.43
155.3911285	0.90
158.1794891	0.33
166.9002686	0.79
168.1093903	1.73
169.2471466	0.43
170.03862	0.22
171.2557068	0.64
176.0367737	0.93
180.272934	1.17
181.1345978	0.40
184.897522	0.85
185.9895325	1.82
187.9924774	0.23
190.0150299	1.02
192.0566406	0.53
194.2779694	0.57
197.3490143	0.48
198.1347198	0.94
200.1044312	0.38
206.0454865	7.11
208.0228271	0.25
211.1799164	0.23
218.0637665	1.58
219.1970673	0.18
223.0700989	0.13
225.023941	0.88
226.080368	5.41
236.131485	7.07
238.21138	2.41
239.244339	3.63
240.2507172	0.42
253.076889	100.00
254.0714264	31.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	737.2249
Annotation	Helonioside B
Peak:m/z	Relative Intensity
207.0923767	5.03
208.0143280	0.17
211.3269348	0.14
214.9649658	0.43
217.1861725	0.13
219.1434174	0.16
222.2796021	0.03
225.0817566	0.32
230.1766663	0.11
231.2623291	0.04
235.0255890	0.05
236.3051758	0.08
241.1818390	0.10
245.0644684	0.11
249.0576477	0.22
258.2384033	0.39
259.1336670	0.13
260.2143860	0.03
261.2840881	0.68
263.1483459	0.40
271.2697449	0.10
273.1342773	0.62
275.2459717	0.12
277.1725769	0.29
285.1908569	0.05
287.2100220	0.11
287.8964233	0.03
288.9043579	0.10
291.1105347	0.82
292.4411621	0.08
296.7144165	0.02
297.3759766	0.06
303.2133179	0.47
304.9485474	0.02
308.9814758	0.36
315.1103516	0.25
321.2343140	0.38
331.2651367	0.12
332.6474609	0.35
333.3355713	0.36
335.0037231	0.05
339.2783203	0.09
351.0481873	10.16
352.0899658	0.37
354.7356567	0.08
355.5376282	0.04
359.1218262	0.20
367.2266846	0.16
369.0682373	100.00
370.1930542	2.44
371.3618164	0.20
377.2941284	0.02
381.0795288	0.11
385.0561523	0.35
397.2144165	0.12
403.5699463	0.17
410.8200073	0.13
420.8881226	0.41
423.6584473	0.20
453.3489380	0.07
459.0553589	0.05
477.6474609	0.23
509.5001221	0.18
517.0723267	0.18
539.0908813	0.05
557.1795654	0.50
558.3168945	0.03
565.2561646	1.38
571.4523315	0.05
574.5695801	1.50
575.2536621	1.18
576.1744995	0.06
583.3718872	0.52
609.3258667	0.12
612.6639404	0.07
617.8327026	0.08
629.4069214	0.29
639.5330811	0.13
653.3950195	0.07
654.3290405	0.06
665.1853027	0.72
671.4265747	0.06
683.0482788	0.77
683.7503662	0.09
693.4618530	0.17
701.0250854	2.12
701.7940063	0.09
719.0718384	1.56
719.9548950	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	488.162
Annotation	Unknow
Peak:m/z	Relative Intensity
143.2652893	0.12
144.9907379	52.15
146.0411835	67.43
156.7754517	0.11
160.9292145	1.24
179.1335144	4.58
180.0067444	0.52
221.0088806	1.01
222.2840576	0.21
250.8545837	0.84
262.8442688	2.06
263.8507690	0.34
280.9717102	0.68
297.8116760	0.07
307.1204834	0.22
311.0611572	0.23
323.0269165	1.31
324.1980591	0.22
325.5047607	0.21
336.4618530	0.15
341.1259766	100.00
342.2218018	11.07
350.0046997	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	562.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
167.8919678	0.02
194.9979553	0.03
199.1508636	0.03
199.9278107	0.06
201.0718689	0.01
202.9909363	0.06
212.9072266	0.04
230.9362640	0.04
242.3147278	0.11
243.0278015	0.02
247.1782684	0.06
258.1994019	0.06
262.9153748	0.09
277.3664551	2.58
334.3443604	0.04
368.0899658	0.03
373.8150635	0.02
392.5538940	0.02
399.3805542	0.03
403.7849731	0.02
412.3361206	0.03
426.1267700	0.07
428.6469727	0.03
431.3065796	0.16
449.2510376	0.09
453.3376465	0.02
456.3445435	0.09
457.1919556	0.06
459.2028809	0.02
461.3633423	0.07
465.2662964	0.04
466.2683105	0.15
472.3800659	0.08
486.2745361	0.13
491.1160278	0.02
498.1551514	0.04
500.1721802	0.01
502.3120117	100.00
503.3891602	0.47
505.4585571	0.02
506.4326782	0.01
515.0174561	0.16
516.3983765	0.23
517.3442383	0.05
518.4843140	0.01
525.4442749	0.07
526.3830566	0.08
527.0801392	0.02
531.7810669	0.07
533.8634644	0.02
543.4431763	0.04
544.2830811	0.16
548.6899414	0.03
552.5469360	0.03
553.9945679	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	154.0621
Annotation	L-Histidine
Peak:m/z	Relative Intensity
65.5055313	0.07
71.9052353	0.96
80.9759827	0.96
92.8885651	7.57
108.0881500	6.90
108.9307098	12.69
110.0594788	9.09
117.9753113	5.36
135.9368744	82.16
136.9119110	100.00
137.5505829	0.34
154.0145721	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	988.29
Annotation	Unknow
Peak:m/z	Relative Intensity
327.6645508	0.14
333.8478394	0.16
361.7277832	0.08
435.3342590	0.26
439.4459534	0.18
455.4606323	0.23
459.3854980	0.11
491.3845825	0.38
493.1628723	0.32
514.0574951	0.42
523.2183838	0.28
525.8585205	0.16
559.4698486	0.26
569.1588135	0.26
569.9360352	0.95
571.9003906	0.11
573.9606934	0.51
575.2149048	0.67
593.6854858	0.18
599.0411377	0.34
608.3029785	0.42
619.3513184	0.09
640.0472412	0.11
677.2934570	0.13
712.4343262	0.33
719.8575439	0.14
736.3978271	0.54
750.8426514	1.30
772.6843262	0.22
775.3934326	0.34
787.3041992	0.28
803.7192383	0.51
817.0338135	0.15
840.3878174	0.37
871.3287354	0.26
882.6611328	0.89
894.3552246	1.53
903.5739746	0.09
922.8939209	0.75
931.3841553	0.23
932.4609375	2.09
939.4643555	1.93
944.4810791	2.60
948.6057129	2.01
950.9310303	1.45
953.3408203	0.24
953.9682617	1.24
955.8171387	19.09
956.6040039	0.74
957.5462646	2.29
958.1845703	1.26
959.3166504	0.64
960.1865234	3.62
960.9670410	0.63
965.7196045	1.77
967.1740723	0.26
968.2198486	2.34
969.0864258	0.15
969.7233887	4.88
970.3691406	0.21
972.0900879	4.88
974.6245117	0.18
975.6354980	0.50
978.2967529	0.22
980.7082520	0.36
986.1103516	0.08
1004.7711180	1.19
1007.0375980	0.11
1018.8427730	0.26
1020.4204100	2.46
1021.5397950	0.29
1027.4993900	2.08
1031.1677250	2.01
1035.9458010	1.40
1038.4084470	0.33
1039.3435060	1.07
1044.8654790	0.62
1046.5904540	0.83
1050.2329100	1.97
1054.1484380	2.94
1055.6522220	4.03
1058.5325930	0.24
1061.0349120	1.93
1061.7656250	0.06
1064.2269290	0.10
1065.9418950	2.95
1066.9102780	0.58
1069.4934080	2.38
1070.6586910	0.15
1071.6196290	2.22
1072.3045650	0.14
1073.2366940	0.53
1074.0605470	5.69
1076.1599120	1.64
1077.6646730	1.63
1078.8804930	1.65
1080.1448970	0.65
1081.1680910	9.01
1082.9344480	4.92
1083.8159180	0.91
1084.8815920	8.22
1085.7938230	2.60
1086.7919920	0.12
1087.7829590	2.86
1088.6188960	4.54
1090.0375980	0.53
1091.5646970	0.81
1092.6726070	2.84
1093.4167480	2.64
1094.3474120	0.71
1095.9654540	3.22
1096.7266850	4.16
1098.0224610	5.69
1099.2326660	9.60
1100.9511720	2.21
1101.9130860	1.78
1103.5550540	0.61
1104.2672120	4.96
1105.4006350	0.55
1106.8125000	19.04
1107.8881840	0.74
1109.0379640	4.63
1110.7775880	1.15
1111.3984380	1.92
1112.4860840	3.33
1113.6540530	6.46
1114.3555910	5.63
1115.4439700	10.37
1116.5692140	20.87
1117.4289550	12.30
1118.4848630	4.72
1119.1019290	0.18
1119.9003910	0.47
1121.0302730	2.05
1121.6354980	0.27
1122.5131840	3.75
1123.1596680	0.48
1125.8199460	31.40
1126.8977050	6.00
1127.9506840	10.39
1128.5603030	5.76
1129.4687500	8.09
1130.9464110	23.70
1131.9143070	0.86
1132.6445310	2.51
1133.9859620	100.00
1135.1868900	2.80
1136.5354000	31.40
1137.1544190	4.54
1137.9792480	0.90
1138.7106930	2.29
1139.3901370	1.04
1139.9915770	1.86
1141.2280270	1.22
1141.9975590	0.51
1144.3818360	0.41
1148.3692630	0.88
1150.8784180	0.37
1159.6196290	0.27
1168.9348140	1.12
1171.5789790	1.71
1172.4798580	0.24
1178.1353760	0.20
1178.7817380	1.02
1180.1669920	2.03
1181.5964360	2.02
1183.8278810	1.36
1195.5812990	4.04
1196.2604980	0.09
1198.1127930	1.13
1202.3596190	0.10
1202.9843750	1.54
1204.4013670	0.36
1205.2902830	0.85
1210.5295410	0.98
1211.2187500	0.65
1212.6802980	0.82
1218.7194820	0.65
1220.8000490	2.79
1223.0329590	1.35
1224.6196290	1.05
1225.5717770	0.98
1226.4609380	0.37
1228.7373050	0.71
1229.8524170	2.27
1231.9669190	4.28
1233.4797360	1.70
1236.8330080	1.01
1237.6942140	1.04
1240.7373050	1.07
1241.3527830	0.06
1242.5441890	2.92
1243.4580080	0.98
1244.1817630	1.50
1246.6340330	9.24
1247.2655030	1.31
1248.7530520	1.33
1250.2552490	3.58
1254.3361820	3.51
1257.0808110	1.17
1259.1048580	1.64
1260.1993410	1.10
1261.7219240	1.62
1262.8033450	1.44
1264.0454100	4.24
1264.8414310	6.57
1267.5129390	3.08
1268.9543460	6.86
1269.7723390	1.04
1271.5473630	1.17
1273.0933840	1.84
1274.1719970	1.68
1278.8549800	4.47
1280.5927730	1.27
1281.7275390	1.36
1282.6577150	4.01
1284.1082760	2.33
1285.4088130	2.70
1286.0803220	6.05
1286.9222410	4.38
1287.5865480	1.15
1288.8986820	5.10
1290.6763920	2.38
1291.5069580	1.33
1292.1512450	2.23
1294.6655270	7.10
1296.1945800	0.75
1296.9047850	3.20
1297.5721440	4.02
1299.1356200	1.23
1300.8485110	2.17
1302.4605710	0.28
1303.3580320	0.76
1304.7716060	7.56
1306.4005130	0.26
1307.6854250	3.86
1308.5328370	3.46
1309.3878170	1.77
1310.4008790	0.41
1311.4366460	4.21
1312.4171140	1.68
1313.0906980	2.10
1314.9279790	6.45
1315.6275630	2.81
1316.5762940	7.04
1317.9605710	11.91
1318.7459720	2.63
1320.1304930	3.84
1321.1964110	2.33
1322.8812260	0.29
1323.7672120	2.10
1324.3741460	2.09
1324.9864500	2.93
1326.3419190	0.18
1327.4560550	8.22
1328.1431880	16.56
1329.1243900	2.38
1330.2862550	0.68
1332.3834230	1.20
1333.3902590	1.28
1334.2868650	2.19
1335.3046880	2.47
1336.5882570	1.76
1337.5949710	4.12
1339.8381350	1.20
1340.9079590	7.83
1341.7769780	1.88
1343.9709470	0.90
1347.5710450	0.27
1357.7960210	0.36
1359.1770020	1.31
1359.8768310	0.53
1360.5399170	1.32
1367.2457280	0.34
1370.8222660	0.29
1374.1761470	2.42
1375.0311280	1.58
1383.0664060	0.39
1391.6180420	0.14
1394.8188480	1.32
1397.2976070	0.30
1399.4096680	1.02
1403.4716800	0.07
1405.7883300	0.23
1408.9056400	0.94
1413.5927730	0.71
1417.7009280	1.21
1419.1326900	1.97
1431.4283450	1.07
1433.4750980	0.27
1434.6470950	0.09
1435.8199460	0.33
1437.5903320	0.52
1438.5692140	1.14
1440.4056400	2.65
1441.5643310	1.38
1446.0678710	0.81
1453.6215820	1.37
1457.1453860	1.84
1458.0911870	1.12
1459.3126220	2.41
1465.8182370	2.21
1466.9864500	1.26
1474.6534420	0.84
1476.2266850	0.17
1477.0618900	2.08
1479.7178960	1.75
1483.5408940	1.16
1484.8927000	1.38
1485.7264400	0.90
1490.0352780	0.94
1493.4665530	0.99
1495.3326420	2.93
1496.5520020	1.12
1497.7662350	0.17
1498.6770020	0.10
1502.9351810	1.02
1506.8963620	1.26
1509.5714110	0.95
1511.1204830	1.10
1512.8476560	2.64
1516.3474120	1.96
1517.5325930	3.69
1519.8270260	3.86
1522.0611570	0.87
1523.8197020	0.23
1528.8023680	0.26
1529.7174070	0.57
1533.3947750	2.24
1535.9385990	1.99
1537.1363530	1.76
1538.2042240	1.90
1538.8074950	0.88
1540.7678220	1.19
1541.6319580	0.61
1542.3948970	1.48
1546.0067140	0.84
1549.0614010	2.27
1552.5594480	2.48
1553.6451420	2.16
1554.4495850	0.28
1555.7166750	1.46
1556.7884520	0.63
1557.4920650	1.98
1558.2132570	1.20
1561.3116460	2.53
1562.5889890	0.67
1567.2423100	4.06
1569.1029050	2.86
1570.2590330	2.10
1573.1846920	0.57
1575.4622800	3.17
1576.5788570	0.68
1577.9248050	3.54
1579.5256350	1.38
1580.4974370	0.66
1581.7398680	1.03
1582.5589600	2.10
1585.6223140	3.45
1588.7862550	1.16
1592.3726810	1.35
1593.1817630	2.22
1594.7325440	3.71
1596.7093510	1.40
1600.1992190	0.65
1602.1690670	3.43
1606.0959470	6.39
1606.9840090	6.59
1610.6477050	1.18
1611.2564700	1.30
1612.8232420	1.66
1615.8564450	2.97
1618.5262450	0.30
1619.5893550	1.98
1622.6582030	4.50
1623.8028560	0.35
1625.1496580	0.64
1626.6080320	0.69
1628.7282710	1.05
1629.6409910	1.83
1630.9156490	0.10
1634.9274900	0.49
1642.8526610	1.95
1674.3875730	0.17
1677.3875730	1.01
1679.9924320	0.59
1693.2165530	0.17
1725.8641360	0.42
1738.9066160	0.17
1745.8298340	0.10
1761.5832520	0.11
1769.1838380	0.81
1771.3127440	0.31
1809.9259030	0.34
1836.7111820	0.55
1844.9827880	0.64
1848.7403560	0.68
1862.2366940	0.63
1866.6536870	0.83
1878.7971190	0.20
1887.1461180	0.22
1889.9562990	0.18
1900.0676270	0.61
1909.7283940	0.46
1918.7189940	1.25
1919.3571780	0.30
1932.0911870	0.61
1950.6174320	0.56
1955.9128420	0.87
1960.9300540	0.58
1962.9698490	0.16
1969.0545650	0.30
1987.0759280	0.17
1996.0451660	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	501.1591
Annotation	Nocardicin B
Peak:m/z	Relative Intensity
144.9298096	2.00
162.0944519	0.14
177.0115051	38.83
177.7579651	0.02
184.0518494	0.07
195.0399323	0.83
198.1164398	0.10
207.1595306	0.16
215.2944031	0.03
232.2816315	0.14
233.1117096	0.10
243.1474609	0.15
245.0220795	0.16
256.9052124	0.12
261.2521362	1.08
264.6968079	0.11
275.2402954	0.05
277.3050537	0.09
285.0309753	0.08
291.0030518	0.10
303.0277405	0.22
307.2135315	0.25
319.3325195	0.04
321.1093445	27.95
339.0667419	100.00
339.6766357	0.35
345.2981262	0.04
353.2078247	0.05
357.1824646	0.19
361.2998047	0.30
371.2983093	0.15
372.1381226	0.12
383.1787415	0.18
385.3302307	0.11
401.2273254	0.06
403.0877991	0.05
423.4509583	0.09
426.7032776	0.13
429.1142273	0.34
436.7313232	0.35
454.9004822	0.25
456.3897705	0.15
457.2067261	0.23
458.0223999	0.07
463.3141174	0.13
464.0377808	0.05
470.5139465	0.06
472.2222595	0.06
478.7900696	0.14
482.3934021	0.34
483.3263550	0.53
484.2576599	0.08
492.5096741	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
79.91186523	0.37
95.19772339	0.12
107.1084137	0.24
128.9194031	0.91
130.0655212	0.25
134.0409698	0.11
147.2093658	0.68
150.9904633	11.71
151.9245453	12.43
153.0932465	0.54
154.9428864	0.20
157.106308	0.34
166.3028259	0.47
167.1039124	0.06
168.1442566	0.14
170.1893768	0.20
171.9282227	0.34
175.8426819	0.67
179.16716	0.51
179.9685211	0.74
182.1695557	0.27
184.1224213	0.40
184.8500366	0.07
188.8028717	0.42
194.0086823	0.12
195.0309906	0.16
198.0981445	1.66
206.1386108	3.03
208.0381927	0.77
212.1407623	0.69
217.4073639	0.24
218.1494446	1.04
223.9960175	0.23
225.2740021	2.09
226.1486664	3.64
236.0332489	6.11
237.4981689	0.50
238.1441193	2.67
239.1599884	2.75
240.0822296	0.10
251.2281952	0.64
253.086319	100.00
254.1038666	25.77
255.1606445	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	929.2719
Annotation	2-Feruloyl-1,2'-disinapoylgentiobiose
Peak:m/z	Relative Intensity
259.2340698	0.77
265.1075439	0.41
273.2843933	0.05
274.3153381	0.25
275.1510010	0.06
277.2636719	0.38
289.2862244	0.50
291.4056396	0.06
294.6663513	0.09
295.2929077	0.17
298.1048889	0.16
300.9571533	0.39
305.2391357	0.06
313.2409363	0.06
315.0530396	0.06
325.4091797	0.57
329.1759644	0.05
331.1818848	0.29
347.3206787	0.09
349.2644653	0.02
367.1070557	0.56
383.0220032	0.04
385.1505737	0.77
394.2135010	0.22
419.0581665	0.19
421.3148193	0.27
427.3035278	3.48
429.2183838	0.19
444.9028320	0.12
451.3464355	0.06
457.2679443	2.42
461.5181885	0.09
463.5376587	0.11
465.3084106	0.09
467.3300171	0.35
469.2194824	3.82
471.2763062	0.08
475.0120850	0.04
481.3251953	3.89
485.5549927	0.03
487.2017212	2.07
487.8434448	0.02
497.3382568	0.46
499.2453003	7.07
507.1051025	0.04
511.1182251	7.10
511.7599487	0.03
515.3796997	0.23
521.3516235	0.12
529.2736816	3.95
603.1428833	0.20
615.1000366	0.27
631.1366577	0.06
633.3878174	1.33
645.3919067	0.33
647.3936157	0.02
659.3536987	0.06
661.4500122	0.07
663.2967529	1.02
669.2001343	0.17
674.9619751	0.15
685.0992432	0.25
687.2477417	1.22
691.3670044	0.44
693.1820679	0.99
699.0934448	0.03
701.5896606	0.04
705.2941284	100.00
723.1506958	3.08
735.2182007	3.46
753.3062134	0.30
755.5761108	0.12
777.2742310	0.15
819.5590820	0.07
841.5045776	0.04
842.5440063	0.07
847.4901733	0.04
863.1856079	0.13
869.0508423	0.20
884.3508911	0.10
892.9107056	0.07
901.2153931	0.04
911.1172485	1.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	487.1779
Annotation	3'-Azido-3'-deoxy-5'- O-beta-D-glucopyranuronosylthymidine
Peak:m/z	Relative Intensity
142.8924255	0.05
145.0785828	52.93
161.1741028	0.36
175.0643311	0.17
178.9718018	2.63
221.0949402	0.38
250.5175781	0.16
259.0292358	0.39
267.0077820	0.12
280.7632446	0.07
288.8800964	0.11
307.1415710	0.17
322.8904724	0.37
341.1325684	100.00
352.3073730	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
114.8939667	0.45
140.9210968	0.16
143.1480408	0.21
158.9952087	0.39
170.9414215	1.16
173.0914612	0.31
185.2016144	0.88
187.2657623	0.10
188.8711395	0.16
199.3425598	1.41
201.1260834	2.38
204.9959412	0.25
213.0350342	0.43
215.2616577	0.98
216.803894	0.24
229.1414185	1.67
231.0429688	0.51
241.0084839	1.83
243.1870117	1.64
245.0485535	2.33
251.0700684	0.36
255.2388	0.53
257.2108154	1.39
259.2776489	1.94
260.9026794	0.15
261.5270386	0.40
263.39328	1.16
267.0370178	0.24
269.4789429	0.97
271.2681885	3.27
272.9891357	0.61
283.3972168	0.76
285.2889404	2.48
287.3239136	0.64
295.3953247	0.94
297.2047729	0.12
299.140564	1.68
301.4545898	1.77
310.8442078	0.58
311.5346375	0.37
313.1754456	3.67
315.3383179	1.19
321.2304077	1.55
323.3255005	13.38
325.0982666	0.88
329.3574219	1.87
330.1002197	0.21
337.0819092	1.24
339.2478638	100.00
340.1612244	0.52
341.2752991	15.83
342.2518616	0.41
359.1664124	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0764
Annotation	Glutathione
Peak:m/z	Relative Intensity
89.0225372	0.09
89.7292938	0.09
98.9690323	0.26
116.0220032	0.24
125.9629669	0.23
127.9811554	7.29
130.0368958	0.05
143.0289001	8.84
143.9345703	0.10
145.1132507	0.31
146.0325623	0.42
153.1150208	0.36
154.8873291	0.12
159.9967041	8.02
166.1220398	0.44
167.1125793	0.68
169.0227966	0.14
170.0422516	0.12
171.0637512	0.93
177.0606689	9.89
179.0587463	7.17
184.3086243	0.17
185.0527344	0.71
192.0671387	0.05
196.9864197	1.68
210.1390381	3.12
212.9523926	1.85
224.1520081	0.06
228.0624084	0.81
231.1490784	1.10
236.1161499	0.43
242.2059021	1.85
243.1451111	0.04
244.0295715	0.11
254.0895081	81.20
272.1087341	100.00
288.0711365	61.85
288.7524109	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	547.1664
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
161.1091003	0.29
163.2086487	0.61
164.0628510	2.66
164.9365540	0.42
167.1626587	0.14
174.5807495	0.07
179.1016693	3.18
180.1050110	0.40
188.2772675	0.02
188.9402313	0.14
190.0580139	0.47
190.9785156	0.31
193.0952759	2.04
194.0793457	0.14
202.1915894	0.05
203.2097473	0.14
205.0747986	2.25
206.1557922	0.27
208.1160736	8.27
209.0894623	0.99
210.0261383	0.07
211.0892029	0.11
212.0691223	0.09
214.1178436	0.11
217.1329346	0.95
218.1491241	0.11
219.1217651	0.05
221.1456146	2.73
223.0594788	100.00
224.1121674	6.21
230.9668579	0.02
232.0672913	1.93
232.9636230	0.25
236.0441284	0.05
237.1945190	0.05
245.1186981	0.42
247.0323486	10.57
248.1138153	1.10
249.3079987	0.01
250.4447937	0.07
251.1817932	0.25
255.2946320	0.03
259.2797241	0.02
261.0858154	0.04
263.0485229	0.68
265.1695557	1.87
266.0648193	0.28
274.0996094	0.04
277.1393433	2.12
278.1207275	0.55
284.2442322	0.04
286.9992676	0.04
289.1156616	0.59
290.1102905	0.03
295.1206665	0.97
305.1354370	0.45
307.2147827	0.15
309.5779419	0.06
314.2704468	0.05
323.1026001	7.96
324.2188110	0.38
325.1392822	0.04
331.0532227	0.03
332.1041260	0.06
340.8715210	0.05
349.2586670	0.02
358.9957886	0.06
367.1968994	0.16
368.3556519	0.02
373.3539429	0.05
381.3760376	0.12
385.1665039	0.41
385.9300537	0.06
427.2662964	0.92
428.3373413	0.21
435.0704956	0.04
447.1479492	0.26
457.2216187	1.20
458.2476196	0.06
467.3365479	0.04
468.3148193	0.07
469.1991577	0.06
470.3154297	0.21
474.3574219	0.07
485.0472412	0.04
487.2623901	3.61
488.1624146	0.66
501.2537231	0.25
501.9328613	0.06
502.8883057	0.08
504.2284546	0.05
509.2825317	0.09
510.0701904	0.17
511.1663208	0.03
512.1110840	0.07
528.5148315	0.05
529.1892090	1.33
530.1458740	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	266.034
Annotation	Unknow
Peak:m/z	Relative Intensity
85.9810257	1.00
86.9521484	0.30
95.9407959	0.37
96.8424683	0.03
114.1363220	0.03
122.9499817	0.28
133.2254791	0.03
140.0163269	3.36
150.0097809	5.53
157.9924469	0.05
166.1331787	0.18
176.3131714	0.11
183.9354248	3.31
184.5459900	0.08
185.4198151	0.07
186.0624847	0.24
194.0019073	0.05
201.9979706	30.45
203.8656311	0.05
205.2319794	0.03
206.1393585	0.03
220.1408386	0.08
230.0986176	1.60
236.0558472	0.03
247.9911652	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	346.0555
Annotation	dGMP
Peak:m/z	Relative Intensity
121.0903015	0.22
131.9239044	0.17
134.0779724	1.31
138.9759827	1.79
140.2761993	0.13
150.9511719	10.22
172.9741211	0.71
173.9720764	0.64
192.9646759	6.56
199.2048645	0.60
210.9566040	100.00
229.3033752	0.11
244.8722229	1.06
247.9703979	0.18
252.1239929	0.46
262.0412598	2.74
273.3688660	0.12
282.3009033	0.22
283.2557983	0.22
285.9590454	0.54
301.9743958	0.20
302.9664307	2.50
326.8051147	0.46
328.2039185	0.61
329.1865540	0.62
END