#DEFINITION	Reference Metabolome for Mangifera indica
#IDENTTFIER	RefMeta-Mangifera indica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Mangifera indica
#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 Mangifera indica 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	297.2417
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
94.9861145	0.12
96.98290253	0.18
102.8847885	0.12
107.0741425	0.13
109.0750504	0.55
113.0311356	0.26
121.0592194	0.18
122.9087677	1.68
124.7184982	0.21
132.9928894	0.51
139.0213928	1.75
140.8515015	0.38
143.1361237	0.23
149.2969971	0.51
151.0930176	0.63
153.0285645	0.37
154.846817	1.45
157.0485535	1.94
159.1521606	0.51
161.0426941	0.87
167.1664429	0.11
168.9883118	1.25
171.1958923	1.24
175.249527	0.99
177.261673	1.10
179.0569763	1.53
181.0410767	3.15
183.0830231	3.96
184.9661255	0.58
193.1352692	0.37
197.0198212	2.45
200.9019775	0.17
206.0059204	0.32
206.9680786	0.28
209.2310181	1.39
211.0767212	0.39
213.0795288	0.29
217.3692017	0.27
219.3084412	1.14
220.5063171	0.35
221.1554871	1.54
222.1927185	0.57
225.1729126	0.92
227.0268555	0.72
228.8664856	0.40
231.3068237	0.49
233.1003113	3.61
235.2001953	0.41
237.2151184	1.40
239.2717896	7.48
242.3911438	0.37
243.141449	1.97
248.9996948	0.18
251.1999207	1.17
252.2384949	0.61
253.1552124	3.91
255.4172363	0.21
256.2011108	0.47
259.171814	0.55
261.212738	11.86
267.225769	0.46
268.3071289	0.16
279.2279053	100.00
281.241333	0.22
288.3252258	0.82
296.6273193	0.15
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
114.9130630	5.52
116.0745316	1.21
116.9750061	3.06
117.8226624	0.11
130.9016724	0.16
132.0287170	0.08
132.8489685	0.08
158.9437256	100.00
159.9599457	40.36
160.9097137	70.79
161.6927490	0.06
198.8414612	0.04
200.0487671	1.68
201.0201111	3.10
203.0191650	0.06
217.3243713	0.03
218.0394897	0.27
219.0868225	1.89
220.9840698	0.17
228.9848938	1.61
229.9776611	13.35
230.9063721	40.16
246.0133057	0.66
246.9923096	0.76
274.9737244	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
151.2161255	0.12
168.1939697	0.19
169.0740051	0.03
178.9773865	0.09
183.9524994	0.23
187.0739746	0.03
188.9728394	0.05
190.9059601	0.02
194.8628235	0.19
199.1703186	0.28
205.0349731	0.10
215.1005402	0.02
217.1919250	1.34
233.1029358	0.08
243.1663208	0.18
244.9644165	0.17
249.2444153	0.18
260.9918213	0.06
267.3290405	0.09
271.2292175	0.06
279.0643311	0.10
283.2870483	0.05
285.5191956	0.04
288.0954590	0.09
289.0699463	0.05
295.0475464	0.02
301.1774292	0.06
303.1704102	0.06
304.2307739	0.04
311.0372314	0.09
312.0425415	0.18
315.1790771	0.08
324.9810181	0.04
328.3565063	0.03
329.2860107	0.04
337.3007812	0.02
340.3029785	0.08
341.1962891	1.53
342.1058350	0.04
349.2624512	0.03
349.9007568	0.10
359.1744995	100.00
360.2970581	0.44
368.9598999	0.14
371.0833130	0.10
384.5557861	0.02
387.2414551	0.35
388.1850586	0.58
389.2561646	0.17
390.7311401	0.30
393.0872803	0.10
399.3420410	0.24
400.3878784	0.14
401.2890015	0.58
414.2258301	0.12
425.2136230	0.05
431.2857666	2.07
432.3276978	0.08
433.2065430	0.06
435.1058350	0.08
436.8355713	0.27
439.2639771	0.07
440.2858887	0.05
441.1282959	0.04
443.0945435	0.04
445.1254883	0.40
451.8332520	0.09
452.8632812	0.05
458.5991211	0.44
461.2404785	0.41
467.3634033	0.08
472.8112183	0.06
475.0059814	0.52
476.1231689	0.38
477.4231567	0.40
478.2523804	0.13
479.3771362	0.32
485.2514038	0.22
489.3414307	0.10
491.1975708	0.34
492.1987305	0.17
494.6893921	0.03
500.2019653	0.04
501.2874756	0.15
503.2146606	2.07
505.1001587	0.07
506.3024902	0.23
512.4672241	0.68
521.0772705	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	589.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
174.9236145	0.29
181.7218475	0.03
185.1131744	0.14
186.9892120	0.41
199.0689697	0.05
202.8762054	0.07
210.7045898	0.04
213.1911621	0.19
216.8022614	0.23
224.7854614	0.04
234.7353668	0.16
237.0518494	0.13
239.0736389	0.10
240.8688660	0.05
244.9580994	0.32
246.0162811	0.17
246.8103333	0.03
254.9301758	0.08
256.6281738	0.04
257.8900452	0.08
259.1051331	0.40
261.0687866	0.07
275.0958557	0.28
276.9985046	9.03
280.9645996	0.11
283.3968201	0.30
285.1796265	0.13
289.0040894	1.55
291.8923645	0.30
292.8953247	0.06
294.9963379	0.30
299.2404175	0.20
301.0039062	0.36
302.1165771	0.05
303.0480957	0.93
304.9953003	0.69
305.8106689	0.63
306.9207153	18.40
307.6062012	0.12
310.3135681	0.19
313.0469971	0.17
319.0738220	3.20
322.7746582	0.06
325.0479126	0.73
327.0720215	0.22
329.0593262	0.33
330.9051514	0.68
335.0816040	0.19
336.2218018	0.26
336.8392944	8.50
337.4644165	0.13
343.2010498	0.30
345.1784058	0.07
346.8920898	1.11
348.9658813	1.25
354.9209595	0.54
360.8717651	0.62
362.5797119	0.33
364.0570679	0.25
365.0134888	0.42
366.9766235	23.96
372.4752808	0.31
373.1242065	1.79
378.4196167	0.17
379.0853882	1.19
380.0795898	0.21
381.0668945	0.34
382.1232910	3.08
383.0721436	0.64
389.0625610	0.12
391.0159912	12.05
395.0134888	0.79
396.9260254	25.34
397.8881226	0.07
407.0713501	1.01
408.1693115	2.13
409.1250610	61.14
414.9036255	0.21
418.0586548	0.20
419.1986694	0.14
425.9222412	9.02
427.0109253	100.00
427.6130371	0.67
442.2808228	0.16
443.2616577	0.04
452.9513550	0.07
457.6183472	0.14
492.4003296	0.20
493.3868408	0.11
499.1483765	1.06
509.1355591	0.07
510.6541138	0.07
514.8698120	0.14
528.9003296	0.17
534.8169556	0.16
542.1040649	0.05
544.0733032	11.68
545.0674438	5.11
552.9479370	0.30
569.0126343	0.03
570.8970947	9.66
571.6941528	0.16
573.3264771	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	615.9
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1137085	0.08
229.0677490	0.15
272.9989014	8.41
274.1308289	1.80
385.2114868	0.03
386.9497681	17.63
388.0609741	6.72
462.0051880	0.04
486.2752075	0.05
499.0853882	0.27
500.9507446	100.00
501.9370728	43.98
513.2869263	0.06
514.0056763	0.05
542.9611816	0.01
560.0633545	0.05
568.9412231	0.26
569.7828369	0.02
572.9810181	0.02
586.8049316	0.01
597.2451782	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	436.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
135.1718292	2.71
144.6998901	0.19
149.0593414	0.22
153.1021729	30.05
157.1478271	0.30
163.0733643	0.07
167.0339813	0.23
170.6133118	1.28
175.4915771	0.18
185.3845825	0.84
192.0894165	0.29
202.9976807	0.33
209.4532166	0.23
211.1209412	1.08
213.0323944	0.15
217.0450897	0.25
222.9388428	0.27
229.2954254	0.09
230.9308472	0.34
234.9878235	0.35
239.2335815	0.15
248.9471436	2.37
251.1797791	0.53
257.4354858	0.15
258.0682678	0.08
261.1799011	0.15
267.0316467	0.82
270.8583679	0.49
274.4083862	0.19
276.4340210	0.28
277.1137695	0.35
279.0748291	0.17
289.3564148	0.14
292.1929626	0.33
294.3567505	0.53
295.2348328	0.24
301.2161865	0.17
307.2747192	0.68
310.1448975	0.17
312.1845703	0.23
315.0091553	0.58
319.2293091	0.64
320.9193726	0.14
325.1845703	0.58
333.3607788	0.20
337.3817749	0.11
338.9188232	0.24
340.8807068	0.30
345.9693604	0.78
347.2080078	0.20
351.3910828	0.46
354.3144531	0.29
355.1590881	0.26
356.5930176	0.69
357.4024048	0.23
358.7949829	0.38
364.0934143	0.73
365.0587769	0.72
367.0502014	0.14
382.1436462	0.60
382.8964539	5.56
387.0223694	0.12
389.4924622	0.53
391.1322937	4.44
392.5964355	0.12
397.2585754	0.11
400.1909485	2.24
401.1173401	4.32
402.5127258	0.12
405.3858337	0.29
407.4009705	1.30
418.1821289	14.77
418.9929810	100.00
420.7595520	0.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.17
Annotation	beta-D-Glucopyranosyl-11-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
112.9399719	0.57
119.3061218	0.07
121.0354004	0.27
125.1783218	0.15
130.8986511	0.64
133.8981628	0.14
135.4983673	0.16
142.9576874	1.81
145.1434326	0.16
148.7016602	0.10
151.0112457	0.13
161.1183014	0.30
163.1058044	13.73
165.8505554	0.33
169.0352783	0.16
178.9560852	4.38
181.0667419	0.47
182.9332275	0.07
195.0267487	0.12
201.2015839	0.22
205.2233429	0.09
207.0817566	100.00
213.1540985	0.10
249.1534424	0.05
274.1205444	0.06
297.3716125	0.13
298.6933594	0.16
325.5770264	0.15
327.0169067	0.37
341.1443481	21.42
342.5448608	0.48
343.2250977	0.18
357.9226379	0.17
359.0661621	0.10
365.5133362	0.16
369.1913147	1.01
372.2786560	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.7933807	0.33
108.9192505	0.50
110.9244919	0.17
117.0149841	0.68
120.9767685	2.11
122.8537292	0.99
124.7076111	0.36
130.8187866	0.20
135.0682678	1.42
137.3848267	0.06
139.0663147	0.10
140.1396179	0.32
141.0322418	0.39
143.1777344	1.22
147.0233612	0.84
149.0428467	0.91
151.0112305	0.16
154.9788513	0.31
157.0697937	0.29
159.1052551	0.65
161.0075073	0.79
163.0432129	0.70
165.1260376	0.22
167.0584869	0.27
169.0212097	0.09
173.0207977	0.50
175.115921	1.26
176.8536377	0.30
179.0248108	0.33
183.2455444	1.04
185.3066711	0.36
186.9338379	0.92
189.1001129	0.56
192.0405884	0.14
193.3497162	0.24
197.1099701	0.38
199.0457916	0.26
200.9605408	0.23
203.1082001	0.82
205.2744598	0.72
207.0815735	0.07
210.9437866	2.13
213.2049866	0.45
215.1130066	0.38
217.0858459	1.50
218.9906921	0.39
223.1271362	0.63
225.2535095	0.08
228.7987061	0.36
231.0610657	0.95
235.2672424	0.95
239.3634338	0.52
243.0838623	1.18
245.2205811	0.63
247.2881165	6.32
251.7069702	0.46
253.2550659	0.36
256.9269104	1.09
259.1515503	0.51
263.1327515	0.41
267.1886597	0.93
269.2761536	0.06
271.3889465	0.32
273.1781006	0.93
275.2183228	0.19
278.9978333	0.21
281.3627319	0.46
283.1575317	0.36
285.3125	0.66
286.2088623	0.12
287.2801514	0.43
295.1929932	1.26
297.0565186	0.73
298.292572	0.24
299.4692383	2.19
300.4442749	0.23
305.2684021	2.48
306.1283569	0.10
309.186615	0.50
310.3010864	0.26
311.2792053	0.06
313.2682495	0.56
314.0997314	0.22
320.7804565	0.47
323.2421875	100.00
324.2813416	0.43
340.225647	0.92
341.1811523	2.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	675.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
250.8086700	0.14
273.1624146	0.13
312.0218506	0.16
378.1680908	1.08
380.1350708	0.08
381.2617188	3.26
382.1930542	0.25
403.0263062	0.27
413.8404541	0.12
415.9285278	0.63
434.4227905	0.61
446.2664185	0.31
453.1753540	0.22
454.9600220	1.05
461.1397095	0.07
468.1680298	0.19
476.1740723	0.21
478.3479004	0.15
485.3817139	0.30
493.1784668	0.22
495.1245117	2.32
496.0689087	1.52
507.4339600	1.01
511.6237183	0.11
513.2482300	0.82
514.3400879	0.61
534.9981689	1.34
543.3134766	10.81
544.3552856	1.58
545.1449585	0.20
545.7853394	1.02
555.2512817	7.60
556.1659546	2.05
558.6897583	0.89
563.9938965	1.19
571.2532959	0.16
573.6488037	0.09
578.3370972	0.92
583.9140015	0.06
585.2063599	12.77
586.2659302	1.23
591.5341797	5.68
592.2394409	0.58
594.0599976	0.32
612.1101074	0.32
615.3142700	100.00
616.3302612	21.47
617.2217407	0.42
629.5203857	0.29
640.3727417	0.44
642.0417480	0.19
646.0051270	0.42
657.3963623	3.65
658.2654419	2.36
659.4570923	0.98
676.5382080	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	284.9103
Annotation	Unknow
Peak:m/z	Relative Intensity
110.0321732	0.13
124.0513153	0.06
136.1285706	0.03
142.0173035	0.03
149.9032898	0.02
155.0855560	0.03
172.1720123	0.12
178.8390198	0.03
201.3830872	0.07
205.2146301	0.08
212.9522705	0.04
213.7623291	0.10
216.0006409	0.03
220.9589844	0.07
222.7366028	0.33
224.7459717	0.03
226.3698120	0.08
236.7539673	0.03
238.9278564	0.89
241.1227417	0.13
243.8498230	100.00
244.7740784	0.06
248.1349182	0.08
249.1726990	0.24
256.2320862	0.13
257.0830383	0.04
261.0515442	0.43
261.7554932	5.55
264.2706909	0.42
264.8841553	0.10
266.9264832	0.64
273.2896423	0.17
275.8217163	0.23
283.9153748	0.14
284.9655762	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	247.1323
Annotation	Glu Val
Peak:m/z	Relative Intensity
73.93589783	0.10
83.06425476	0.06
95.10870361	0.21
96.62599945	0.12
105.1903381	0.04
109.2296906	0.11
110.9691162	0.63
114.9807892	0.10
116.9542999	0.13
119.019455	0.63
120.9997253	0.56
123.2261963	0.11
125.0818634	0.48
131.2837067	0.09
134.8902283	0.24
135.9779358	0.13
136.9922028	0.36
138.9954529	0.08
143.2672272	0.11
145.0040436	1.19
145.6870575	0.12
147.0287781	1.09
148.9914398	2.09
150.1071625	0.84
152.9996338	0.99
155.0380859	0.08
159.1952209	0.81
159.9557648	0.40
160.9701843	0.46
163.0595245	2.37
165.067215	0.19
169.0227051	0.70
171.1218262	0.42
173.0502472	1.74
174.0274506	0.15
174.7834778	0.08
177.0924683	0.70
183.2132874	2.14
185.1541748	1.31
187.0808563	13.88
188.3212738	0.13
189.2091064	0.84
191.0983887	12.08
193.2212219	0.04
199.1103058	0.24
201.026062	10.58
202.3308258	0.48
203.1301117	3.67
205.1053009	2.79
206.3092499	0.09
211.1548004	4.57
214.2497101	0.41
219.1459045	1.26
227.3124237	0.21
229.1234894	100.00
230.1392975	0.13
231.2412567	0.05
237.0945587	0.22
247.0670624	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	450.2622
Annotation	PE(16:1(9Z)/0:0)
Peak:m/z	Relative Intensity
140.2541656	0.04
152.9416199	0.33
196.1037445	2.18
214.1189575	1.28
253.2429810	100.00
253.8448486	0.33
389.1794128	0.30
407.3254700	0.03
414.1896973	0.02
432.5379333	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	443.1558
Annotation	Sibiricaphenone
Peak:m/z	Relative Intensity
135.0753784	0.04
137.1245880	0.21
141.1466827	0.09
143.1710205	0.32
150.9761047	0.14
159.0650787	0.09
160.8957520	0.34
163.0259552	0.04
166.9756165	0.22
169.0710754	0.05
171.9444427	0.12
185.2166748	0.25
190.9312134	0.22
203.1323547	0.30
205.1643829	0.06
217.1398010	0.12
219.3091583	0.16
233.2307129	0.20
234.0405426	0.06
235.1949463	0.05
237.4305267	0.07
239.0454712	0.46
241.0798340	0.08
244.4901428	0.28
245.2478027	0.18
251.0837402	2.28
253.3463440	0.08
256.3295898	0.06
257.0961304	0.27
269.1614685	3.00
279.1178284	0.55
280.3132935	0.05
281.0863342	0.10
286.9313049	0.08
289.3457336	0.44
290.1336670	0.32
291.2673950	0.97
293.4039917	0.29
297.1369324	0.11
301.3172302	0.17
309.0670776	0.20
310.9970093	2.02
313.2469482	0.07
323.3327332	0.12
327.2566528	0.20
331.4410095	0.26
333.4018860	0.07
335.0156860	0.12
347.4296570	0.51
353.0101929	0.15
364.6962280	0.16
366.8240662	0.21
367.7283936	0.16
381.2386169	0.19
383.1576843	8.02
385.0851135	0.08
396.1299133	0.06
397.2157288	2.14
398.9804077	0.77
399.6561890	0.67
401.2314758	100.00
401.8454285	0.30
407.0220032	0.24
413.2699280	0.09
414.9826050	0.08
419.7147522	3.67
423.0962830	0.33
424.7958679	0.35
425.6176147	0.40
426.2853088	0.03
428.3457336	0.25
428.9887390	0.04
434.1402893	0.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	598.2797
Annotation	Phoslactomycin A
Peak:m/z	Relative Intensity
171.0902557	0.42
176.9379272	0.61
179.1335907	1.03
185.3937073	0.35
192.0111389	0.26
196.9458313	0.40
205.1822205	0.04
210.1084595	1.47
213.2741089	0.04
236.1067352	0.03
242.2854004	0.35
254.1471252	8.58
272.1380615	6.25
288.0646362	4.81
290.9217834	0.18
299.3819580	0.18
304.2011719	0.11
306.1138916	100.00
315.2671509	0.23
336.2325439	0.09
352.9222412	0.19
370.7774658	0.15
382.1934814	0.12
383.4046021	0.27
394.1735840	0.09
404.2743530	0.10
418.2041626	0.07
429.1390991	0.19
443.6776733	0.04
445.3616943	0.61
446.4494019	0.27
466.2244873	0.05
469.2300415	0.94
489.1751099	0.07
493.5117798	0.09
498.9483032	0.10
499.7528687	0.06
508.2165527	0.13
519.3614502	0.13
521.5805664	2.69
522.2392578	0.94
537.8021240	0.34
552.1509399	0.18
553.4419556	0.29
560.0720215	0.58
562.1171875	0.30
567.2846069	0.06
570.6751099	0.16
574.7252808	0.59
575.4669800	0.68
580.3158569	0.75
581.7368164	0.33
597.9177856	0.25
599.9306641	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	679.2626
Annotation	Azadirachtin N
Peak:m/z	Relative Intensity
243.6287842	0.08
267.2515869	0.05
271.0006104	0.08
301.3560181	0.53
329.1646118	0.09
337.4678955	0.08
397.2160034	0.12
403.3674316	0.32
455.1442261	0.05
471.3957520	0.34
496.0665894	0.25
503.3278809	0.20
530.0081177	0.13
531.1676636	0.29
536.0703735	0.32
538.3298950	0.14
546.2514038	0.08
550.4243164	0.31
552.1582642	0.40
577.2977905	0.21
580.4689331	0.15
583.5310669	0.09
586.5377197	0.13
587.3738403	0.77
589.2588501	0.13
593.2719727	2.34
596.0799561	0.11
602.8673096	0.45
603.6351929	0.22
612.9804077	0.24
616.2993774	0.04
619.6107788	0.04
625.4400635	0.25
629.4748535	0.47
632.9448853	0.59
635.3566895	100.00
636.0311890	0.35
641.0867310	0.82
642.9465942	0.13
643.9684448	0.04
646.4999390	0.23
656.0393677	0.20
661.0813599	0.31
670.1317139	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	643.172
Annotation	Lepidimoic acid
Peak:m/z	Relative Intensity
191.0816345	0.13
217.0246582	0.85
218.0159912	0.07
229.1853485	0.06
258.8614502	0.07
303.1042480	11.53
304.2165527	2.05
321.0637207	9.52
322.0947876	0.89
339.1613159	0.08
367.4187012	0.03
375.3371582	0.04
381.1783447	0.43
382.2711182	0.03
419.1581421	0.44
420.2828979	0.08
436.1259766	0.03
437.1781616	2.17
438.2983398	0.38
443.4317017	0.03
467.2575073	0.28
468.0386353	0.02
479.1790161	19.77
480.2297363	4.99
485.0318604	0.22
495.3775635	0.07
497.1696777	12.04
498.2864990	2.20
539.2619019	29.29
540.2947388	7.64
581.2476807	0.32
607.4488525	0.13
625.1724243	100.00
626.2224731	27.95
626.9045410	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.0878
Annotation	6-Hydroxytricetin 5-rhamnoside
Peak:m/z	Relative Intensity
143.1829376	0.02
144.9524231	0.01
149.1633911	0.01
150.9870300	0.71
151.9616547	0.05
159.3201752	0.01
161.0778656	0.04
163.1476135	0.02
165.1564331	0.04
169.0766754	0.39
169.8768768	0.10
175.0380859	0.02
179.0532532	1.16
180.0848999	0.05
183.1971130	0.01
188.3786011	0.03
189.0827026	0.11
190.0717773	0.05
191.0785370	0.02
192.2003479	0.01
193.1526489	0.02
194.9644775	0.02
198.0884247	0.04
199.0045471	0.01
200.9780884	0.02
203.6974335	0.01
206.0990295	0.01
206.9585876	0.01
208.1242218	0.01
209.1553040	0.04
211.4053345	0.02
213.3735962	0.04
214.3122864	0.02
217.0392456	0.05
218.0981903	0.01
219.1137848	0.03
221.0536041	0.09
222.2442932	0.02
226.1911011	0.01
227.1386719	0.08
229.2551270	0.15
230.2774048	0.01
231.2209778	0.01
231.9141235	0.02
233.1169586	0.03
236.2751923	0.01
237.1952515	0.02
239.0270691	0.04
241.1775665	0.01
242.2864532	0.03
244.1414490	0.03
244.9205627	0.02
247.2716370	0.02
248.0678406	0.01
251.1137085	0.04
253.8534546	0.05
255.1918945	0.33
256.2515869	0.11
257.1936646	0.07
258.3386536	0.03
259.0754700	0.02
262.9957581	0.01
265.2646484	0.02
269.9296570	0.01
271.1744080	0.26
272.1575623	0.06
273.1889038	0.40
274.2569885	0.07
275.2882690	0.02
281.1972656	0.11
282.2917786	0.06
283.3315125	0.10
285.0415649	0.03
285.9369202	0.01
289.5329590	0.01
293.4382935	0.02
295.2101440	0.10
297.2729187	0.11
299.0440674	0.55
300.1455994	26.25
301.0733032	100.00
302.0884094	17.73
307.2785339	0.02
308.1760864	0.02
309.2884827	0.07
311.2682190	0.02
312.6577454	0.12
313.3441772	0.23
315.1584473	0.03
316.1108093	0.00
319.0457764	0.01
319.8084106	0.02
325.1753540	0.31
325.9337158	0.00
327.2658997	0.04
328.2796936	0.05
330.2741699	0.01
331.3618164	0.16
332.1640015	0.03
335.0803223	0.01
337.1940918	0.13
338.2578125	0.03
339.9529419	0.02
341.0737610	0.12
343.0943298	2.44
344.2333984	0.54
352.1223755	0.07
353.2831726	0.07
354.2287598	0.08
355.1550293	0.05
356.2397156	0.07
356.8675537	0.02
365.3652954	0.68
366.2075195	0.01
366.8115540	0.06
369.3118591	0.01
371.2755432	0.01
372.0513000	0.01
373.2236023	0.27
374.2064819	0.04
375.2831726	0.02
376.4473572	0.04
377.5921936	0.04
378.2138977	0.05
379.8478394	0.01
381.1385803	0.01
384.1151428	0.52
384.8600769	0.31
387.3720093	1.12
388.2807922	0.07
389.0982361	0.03
391.2733765	0.00
394.3024902	0.04
398.2781677	0.03
399.1643677	0.02
401.2258606	0.01
402.1141968	0.02
403.3302307	0.08
404.2991638	0.02
409.4416504	0.01
417.2770996	0.13
419.2915955	0.07
420.1093140	0.02
420.8777771	0.03
425.9002075	0.02
427.3797913	0.13
428.0391846	0.01
430.4425354	0.01
433.0761414	0.01
435.5310364	0.01
438.2633667	0.02
441.3577881	5.00
442.2536316	0.58
445.2545776	0.52
446.2153931	0.27
449.4552002	0.02
454.2397766	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	684.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
293.1945496	0.25
343.1721191	0.04
421.4108887	0.10
431.6602783	0.11
458.9959717	0.02
482.5865479	0.03
516.2826538	13.14
534.8781738	0.07
538.3300171	0.02
554.2337036	5.19
592.0412598	0.24
600.0701904	100.00
600.6877441	0.85
610.7711792	0.13
617.3424683	0.16
623.9715576	0.18
631.4810181	0.11
635.1746826	0.04
638.1223145	71.77
665.8648071	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	414.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
136.9172516	0.06
183.0248413	0.04
233.1152954	0.04
249.2205200	0.13
252.3748169	0.11
263.2458191	0.01
285.2515564	0.07
293.3504639	0.87
294.2371826	0.03
300.2455139	0.06
309.1427612	0.09
311.0174255	0.03
314.5197754	0.05
318.0545959	0.05
319.5794678	0.04
327.2872314	100.00
328.0853577	0.01
329.4318848	0.05
338.1156311	0.15
342.0906982	0.10
352.3170776	0.37
354.2875366	0.16
363.5184021	0.02
367.5121460	0.11
368.3508606	0.21
370.2688599	0.03
371.0049744	0.04
376.1661682	0.04
377.1675415	0.02
378.1756897	1.07
379.3047180	0.06
384.6377869	0.06
387.2144470	0.04
393.3559570	0.04
395.6958008	0.58
396.7171326	0.37
397.4546814	0.15
414.8954163	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	276.1184
Annotation	Glutamyl-Gamma-glutamate
Peak:m/z	Relative Intensity
83.8263474	0.12
100.9231796	0.04
118.8918152	1.23
130.0532227	0.70
137.9166718	0.12
139.0853577	0.33
147.0276184	100.00
152.2221985	0.16
152.9546204	0.37
155.0254822	0.04
168.9520874	0.40
172.8278198	0.08
182.8712769	1.18
197.9278259	0.05
201.0656433	37.91
210.1980591	0.11
211.7840881	0.08
213.1440125	1.63
215.9499817	0.07
217.7623901	0.22
219.8914490	0.06
227.8965454	0.29
229.1068726	0.44
230.1535034	0.23
234.2414856	0.05
235.1408386	0.12
240.0094604	0.59
257.9952393	9.20
259.1084900	2.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.18
Annotation	Tanzawaic acid E
Peak:m/z	Relative Intensity
92.98532104	0.40
114.8227768	0.12
145.0405731	0.06
147.8562317	0.03
155.2073059	0.07
157.3162842	0.07
161.0829468	0.15
172.9538269	0.13
175.074585	0.05
181.2380676	0.26
185.0701599	0.21
195.0378418	0.08
200.2384033	0.07
201.1178894	0.11
203.2278442	0.17
209.1130981	0.06
211.5475159	0.06
216.894165	0.28
225.1810913	0.33
227.2140808	0.48
228.9901428	0.26
233.1953125	0.04
240.9614563	0.23
243.0892029	0.13
245.1009827	0.70
246.0758057	0.43
253.7256165	0.38
261.0278931	0.19
261.8817139	0.19
268.7070618	0.06
269.9550781	0.10
271.1722107	100.00
271.7901001	0.74
273.2874756	2.45
273.9667969	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	355.1032
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
106.2246246	0.10
107.0721512	0.02
111.0909653	0.10
113.0677795	0.06
120.8255386	0.03
122.9697113	0.03
127.3319168	0.08
131.9940491	0.13
134.0545654	5.18
149.087616	1.20
151.2507019	0.03
154.9837341	0.06
157.1659546	0.08
157.8153381	0.21
160.0651398	3.37
161.1141052	0.06
163.206604	0.14
165.2377014	0.02
173.065918	0.22
175.0411987	41.30
176.0843048	0.15
178.1283569	0.36
189.3096466	0.31
191.1562195	1.67
193.0441589	100.00
193.6772156	0.16
202.0807953	0.71
203.0750427	0.99
207.0637512	1.43
209.0644684	0.08
215.2743225	0.08
217.0636597	65.24
219.0975037	0.31
221.0441895	0.26
225.3829956	0.08
231.2615356	0.03
233.2791443	0.72
235.0575867	10.45
237.4010925	0.17
241.4619141	0.06
245.1441345	0.19
247.0846558	1.99
253.9997253	0.03
259.0890503	0.92
261.0422058	0.13
263.2602539	0.06
265.2221069	4.11
269.229248	0.13
271.2903442	0.02
275.1276855	0.29
277.1210327	0.07
277.974762	0.03
285.1412964	0.11
288.97052	0.20
293.6199951	0.34
295.1742554	7.16
308.3827209	0.08
309.2041016	0.29
310.0493164	0.03
311.1843262	0.55
312.15271	0.09
313.3198242	0.12
313.9597473	0.04
318.5724487	0.15
325.0837097	0.13
326.8053589	0.08
336.6314697	0.97
337.294342	1.37
338.3574829	0.06
340.1261292	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	729.1449
Annotation	3-O-Galloylcatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
212.9915771	0.17
225.2505798	0.60
229.1000061	0.23
230.9087372	0.25
241.4178772	0.15
242.1552124	0.14
243.1589966	1.07
245.0882111	2.22
246.1217804	0.13
252.9429321	0.61
254.9915771	0.43
257.2526855	0.87
265.2041931	0.16
269.2275391	1.78
270.0125122	0.15
271.2150879	1.75
273.0889282	0.63
283.1297607	0.43
284.8988953	0.80
286.1695251	0.50
287.1358032	3.54
289.1065979	22.86
290.1745605	3.26
297.2614136	0.74
298.3874817	0.30
299.1542969	1.34
299.9878540	1.25
303.1564941	1.84
304.0480042	0.27
311.2041016	0.10
315.2971191	0.26
316.8388367	0.08
329.4523315	0.27
331.2116699	1.27
341.3194580	0.38
353.5290527	0.07
369.1466675	0.07
371.4207153	0.42
375.0173950	0.19
381.1497192	0.09
382.1657715	1.55
383.3148804	1.14
389.0786133	4.01
390.2687988	0.89
391.4116821	0.29
397.4802246	0.37
405.2902832	0.27
407.1798096	100.00
408.1730957	27.79
409.4102173	0.32
410.1551514	0.57
411.1541138	1.62
415.3823853	1.06
419.4926758	0.34
420.1118774	0.11
423.1223755	1.67
424.3109131	0.56
425.2987671	2.92
426.0822144	1.12
433.1333618	6.91
434.1563110	0.59
436.2440796	0.11
437.2036133	1.84
439.2178345	0.39
441.1095581	41.15
442.1518555	12.06
449.2934570	1.24
451.1655884	50.24
452.2246704	11.80
452.9681396	0.22
454.3374023	0.26
466.9370728	0.44
468.1536255	0.91
474.2476196	0.40
479.2290039	0.46
480.3944092	0.07
481.0676270	0.32
483.4791260	0.39
491.0609741	0.35
493.3596191	0.68
494.1275024	0.75
501.5862427	0.65
509.4547729	0.28
515.1314087	0.66
515.9705200	0.87
516.5942383	0.64
517.2427979	0.28
523.2389526	0.22
526.7270508	1.37
531.1084595	0.14
533.1414185	2.09
534.2713623	4.25
535.2119141	0.45
541.2084961	8.21
542.2485962	2.83
542.8587646	0.10
544.8941040	0.69
545.9440918	0.13
557.4152832	0.52
559.1123657	71.15
560.1146851	21.46
561.1862183	2.11
562.3271484	0.98
563.5792847	0.11
567.9805298	0.36
577.1602173	81.07
578.1909790	20.47
578.8464966	0.16
585.3875122	0.67
588.4733276	0.35
601.2756958	0.96
603.1598511	48.41
604.2670288	14.02
605.0944214	0.23
606.1198120	0.63
611.2656250	0.40
619.2468872	2.03
620.3703613	0.23
629.9412231	1.59
644.2729492	0.25
645.3233643	0.81
667.1687012	0.56
671.2014160	0.82
683.0241699	0.41
685.2232056	2.98
686.2776489	0.11
688.7451782	1.04
707.6240845	1.47
711.1505737	22.26
712.2694702	7.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.0716
Annotation	Corynether A
Peak:m/z	Relative Intensity
93.30944824	0.21
97.06225586	0.37
109.0154114	0.81
110.0626984	0.07
111.131012	0.04
120.8315048	0.06
122.0140381	0.02
123.0232086	0.31
123.912674	0.10
125.0667038	3.58
126.0267792	0.14
128.0257416	0.05
129.1213684	0.05
135.0822449	0.82
135.806488	0.06
137.0080261	1.72
138.0431824	0.87
139.1176453	0.43
139.8344116	0.10
145.259552	0.02
146.0640564	0.06
149.0890961	0.29
151.0413666	0.95
152.0937805	0.36
159.0641479	0.48
160.179718	0.29
161.1006317	2.27
162.1199341	1.27
163.1487885	0.39
164.0530701	0.93
164.9977722	4.62
166.0872345	0.64
167.0289612	1.82
168.1143188	0.26
174.0543365	0.08
175.1485596	0.38
176.1186218	0.52
177.0031128	0.12
178.9948425	12.36
180.0494995	3.05
180.936615	0.28
182.3704834	0.11
185.0476074	0.19
186.0340271	0.84
187.0042725	0.97
188.0898132	1.09
189.0836639	0.48
191.0701294	0.07
192.3096161	0.22
199.098053	0.07
200.1984253	0.13
201.1237488	0.73
203.0213013	8.88
204.1655579	4.05
205.0471191	44.34
206.1300049	12.20
212.0278015	0.08
213.0079651	0.05
215.3078308	0.06
217.1672974	1.01
218.2063599	0.13
221.477356	0.11
227.1740112	1.33
228.1355591	0.58
229.0730896	0.09
230.0840454	0.44
231.0196228	8.05
232.0642395	2.08
233.141449	0.07
243.0415344	0.10
245.0911865	100.00
246.1209717	45.35
247.1322632	6.25
248.1013184	1.95
252.1277161	0.08
253.2975464	0.08
258.3881836	0.04
267.6392517	0.04
271.1676331	6.04
272.2127075	2.89
273.1634521	0.15
290.9045105	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	705.1823
Annotation	Lactulose
Peak:m/z	Relative Intensity
272.2797852	0.26
281.4247437	0.37
312.6621704	0.35
328.7803345	0.05
343.4030151	0.27
361.2721558	0.12
362.1523438	3.70
363.1848755	5.81
381.1964111	8.66
382.3247070	0.11
397.3181763	0.07
413.5143433	0.04
452.3056030	0.16
453.2512817	0.43
455.3692017	0.46
467.5441284	0.05
481.1135254	0.06
488.0596313	0.07
512.0385742	0.04
523.9339600	0.06
525.2681274	27.57
526.4464111	0.06
528.9583740	0.15
533.2820435	21.25
542.0120239	0.91
543.2036133	100.00
544.1276245	0.65
561.0586548	0.14
562.1124268	0.11
584.9504395	0.18
622.9214478	0.22
642.4280396	0.23
645.0840454	0.60
645.7756958	0.42
687.4682617	0.41
704.7052612	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	518.25
Annotation	PS(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
152.9069824	8.09
166.1124573	0.09
170.9089355	0.80
200.8097076	0.16
240.0820618	0.30
265.1321106	0.12
296.1529541	0.12
307.1941528	0.09
312.9822998	0.22
336.3265381	0.31
355.8093872	0.37
360.2021484	0.07
384.7890015	0.23
398.1174927	0.11
403.5428467	0.12
413.8718872	0.19
415.1433716	0.06
419.3675537	0.16
426.1134033	0.19
428.1890259	0.14
431.2980957	100.00
431.9405518	0.39
446.5219116	0.35
450.5299683	0.16
454.0825195	0.24
457.5171509	0.50
463.9148560	0.21
471.7834473	0.45
472.4034424	0.95
473.5022583	0.22
474.3631592	0.33
475.3218384	0.23
476.9708862	0.34
480.1788940	0.32
481.7611694	1.67
482.3995972	3.12
483.4143677	0.21
488.2020264	0.16
489.1199951	0.08
490.9183350	0.46
491.8576050	0.60
500.1147461	1.33
501.5490112	0.05
503.3789062	0.18
506.3099976	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
90.87998199	0.17
93.01042938	0.11
95.01612091	0.70
108.9122391	1.19
112.8018951	0.34
114.9635391	0.14
118.8810501	0.13
120.9761505	0.92
122.8405762	1.51
124.8445129	0.39
127.1303711	0.54
128.8662872	0.31
132.9378662	0.78
135.1679993	0.52
136.0873108	0.22
137.1269836	0.11
138.9255981	0.75
140.803421	0.44
149.254364	0.35
151.1082153	0.64
152.830719	0.10
155.1168823	0.53
157.026825	0.81
158.8830719	0.07
161.0649719	0.84
163.2445679	0.28
164.4043579	0.22
165.0401001	0.10
166.8314056	0.31
168.7076111	0.91
173.1092529	0.93
174.9383545	0.31
176.9778137	0.34
181.0246277	0.44
183.0502625	2.45
184.9604034	0.87
187.2775879	0.26
191.0678864	0.23
192.265625	0.45
193.1081238	0.44
194.222229	0.05
195.2220917	0.70
197.1079254	4.29
199.346405	0.19
201.1191101	1.18
203.2761841	0.39
205.1701355	0.29
207.325592	0.89
209.4620667	0.23
211.3320007	1.08
213.1473389	0.58
215.1001587	0.65
219.0641174	1.33
221.1339722	2.06
222.7326355	0.26
225.2312622	1.54
227.2393494	0.91
232.9541626	0.16
235.1207275	1.13
237.2442627	1.99
237.9169312	0.15
239.1528931	7.72
241.3089905	0.92
242.4342651	0.17
243.2507324	3.54
245.1898804	0.20
251.2070618	2.96
253.3457031	0.53
255.2299194	3.50
256.1195679	0.45
257.07547	1.48
261.2139282	6.33
266.0895691	0.06
267.1900024	0.18
276.9734192	0.19
279.2304382	100.00
280.1506042	0.42
281.0368347	0.42
288.3106079	0.85
289.1788025	0.15
299.1018677	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2499
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
104.902832	0.09
107.0864334	0.30
108.9943237	0.71
110.9820709	0.41
117.0233154	0.18
120.9797516	1.56
125.0429993	0.16
128.9888	0.40
130.9771729	0.22
133.2491608	0.48
134.9437561	1.49
137.2173462	0.39
140.9949799	0.71
142.8313904	1.11
144.5783386	0.16
147.0563965	0.49
149.0804138	0.63
150.9356384	0.45
151.6264038	0.07
154.9498749	0.13
156.9195557	1.40
159.0723877	0.66
161.0509338	0.40
163.0814209	0.39
165.2182159	0.44
169.0180664	0.83
173.1317139	0.74
177.3164368	0.11
179.4185333	0.14
180.9011841	0.63
183.2588806	0.37
185.029068	0.60
187.1150818	1.72
191.0777588	0.43
193.1096802	0.28
197.1546326	1.10
201.1242676	0.72
205.138855	0.54
209.1497498	0.05
211.0089111	1.10
212.364624	0.28
213.0192871	0.22
215.113739	0.41
217.0935974	0.33
219.3135376	0.17
221.295929	0.16
223.1645508	0.45
225.2724915	0.14
228.1774902	0.06
229.1829529	0.39
231.0270081	0.05
237.4078064	0.49
239.2617188	0.29
241.4283752	0.29
243.1398315	0.07
245.0583801	0.43
246.683197	0.38
247.3138733	6.09
248.1459656	0.15
253.5512085	0.71
255.3590393	0.19
257.2164001	0.56
259.1054382	0.80
261.151001	0.14
262.8950195	0.12
266.2701721	0.14
267.0303345	0.08
268.2835083	0.09
271.2056885	0.73
273.658905	0.81
275.2139282	0.16
278.4787598	0.18
280.3099976	0.10
281.4701843	0.14
283.1978149	0.54
285.3392334	0.62
287.1650696	0.83
295.1250916	0.53
296.0021973	0.37
297.2569275	0.07
299.2994995	2.08
300.2104492	0.21
301.4297485	0.06
303.4969177	0.06
305.2880249	2.82
309.3580322	0.14
310.5206299	0.29
311.1553345	0.04
313.2814026	1.49
319.1333008	0.33
320.2286682	0.41
323.2299805	100.00
324.1022034	0.05
332.1758728	0.20
340.7115784	0.51
341.4519348	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	727.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
216.9871063	0.39
282.0449219	0.12
298.9550781	0.11
300.9524536	0.14
303.1640320	4.23
321.1331177	3.84
345.1981812	1.08
387.0705566	8.32
405.0114136	5.98
444.2193604	0.29
476.9639893	0.29
515.8454590	0.55
521.4401855	0.09
524.1741943	0.06
547.1522217	0.10
551.2971802	1.06
556.3507690	0.74
563.2756958	2.68
564.1185303	0.13
569.3870239	0.32
574.5086060	0.15
579.1996460	0.26
581.1378174	1.34
593.2629395	0.27
597.3049927	0.37
607.1912231	0.25
613.1843262	0.14
623.2747803	15.65
623.9872437	1.01
649.0675659	0.12
665.4907837	0.17
667.2551880	1.74
675.3692017	2.51
681.3769531	0.42
683.2474365	0.15
685.2305908	1.71
699.7977905	0.29
705.3123169	0.52
707.9389038	0.12
709.2359009	100.00
709.8792114	0.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	685.18
Annotation	Unknow
Peak:m/z	Relative Intensity
191.0243073	0.07
239.0458069	0.13
271.0632324	0.24
320.9710083	0.14
324.9581299	0.15
341.1663208	100.00
342.1234741	92.97
343.1726685	21.21
345.2356567	0.08
437.1198120	0.26
478.9746094	0.27
493.2448120	0.15
501.0653076	0.06
529.1749878	0.41
581.2350464	0.51
587.1074829	0.45
625.2107544	1.47
639.2796021	0.16
649.1690063	0.23
666.0925903	0.16
667.0383301	0.95
669.7449341	0.32
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
99.01315308	0.12
109.0780411	0.55
112.8751221	0.79
115.0403671	0.33
122.8748016	0.29
125.1514511	0.24
130.2166748	0.69
131.1464233	1.17
135.1210785	1.42
139.0485229	0.66
140.9099884	0.16
141.9641724	0.22
145.6411438	0.66
147.0117493	0.39
152.9785004	0.63
155.1070557	1.43
157.0756683	0.12
161.4085236	0.57
163.2736664	0.87
165.2882385	0.18
167.2407379	0.65
170.9724121	0.45
179.064621	0.51
180.8993835	0.96
183.1116333	1.48
184.9981842	0.31
186.9386444	0.62
187.5478058	0.42
189.1864319	0.52
192.9410248	0.32
194.9495087	0.14
196.2206879	0.21
197.2384644	2.82
199.0991516	0.69
201.2489929	0.37
203.2676086	0.28
211.1240845	1.95
212.9546509	0.49
215.1473694	0.10
219.1231079	0.23
223.2687988	0.73
225.2023621	0.21
226.987915	1.58
229.1557922	1.82
235.2344055	0.76
237.1437988	0.51
239.1490479	1.07
240.1647034	0.15
240.978363	0.67
241.870636	0.14
245.1335449	0.17
247.2970276	2.45
249.3844604	0.47
251.2105103	2.88
252.1344604	0.16
253.2317505	5.42
254.2493896	0.30
257.3635559	0.65
261.1365967	0.25
265.2700195	1.40
266.3790894	0.13
269.3191223	1.99
270.1092529	0.62
275.1523132	13.26
276.1981812	0.98
277.1643677	0.10
279.2965698	0.06
281.4183655	0.15
283.2958069	2.60
290.5571289	1.58
293.2119751	100.00
294.2631836	0.62
295.1417236	0.34
296.3297424	0.40
324.9926147	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	625.046
Annotation	Unknow
Peak:m/z	Relative Intensity
287.3197021	0.09
301.2145386	0.10
305.4006348	0.14
317.3293762	0.21
321.1598511	19.94
327.1961670	0.18
343.1729736	0.11
362.3136597	0.30
369.3548584	0.18
405.4304199	0.13
411.0552979	0.06
428.9485474	0.48
455.0994263	5.68
460.3860474	0.38
463.2649536	0.11
468.7402344	0.08
471.3151855	0.23
473.0557861	100.00
489.0191040	0.19
522.8356934	0.37
535.3403931	0.38
537.9718628	0.10
540.4835205	0.21
541.3659668	0.14
547.4629517	1.09
548.5578003	1.81
549.2056885	0.13
563.4735718	0.05
565.2951660	0.15
576.2119141	0.19
578.0691528	0.04
580.6123047	0.41
581.3612671	0.21
582.3055420	0.21
595.1134644	0.21
602.6072388	0.89
605.1050415	0.42
606.6550293	0.13
607.4827271	0.12
610.9239502	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	545.0568
Annotation	dTDP-3-methyl-4-oxo-alpha-D-ribopyranose
Peak:m/z	Relative Intensity
208.9782410	0.02
301.2503662	0.01
302.3207397	0.03
319.2304688	0.01
350.9764404	0.01
393.2748413	0.03
415.2449341	0.02
432.1574097	0.02
438.1406250	0.01
460.1481323	0.10
469.3108521	100.00
470.1760254	3.11
471.0156250	0.11
472.1612549	0.10
473.2270508	0.01
482.5512085	0.11
498.9271851	0.01
522.2747192	0.07
523.2413940	0.06
535.7471313	0.03
536.3530884	0.02
601.0842285	0.02
617.2910767	0.04
618.2150269	0.11
736.2498169	0.02
769.3223267	0.09
770.2786865	0.02
903.3989258	0.02
920.7311401	0.01
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
80.99362946	2.27
95.0776062	1.13
124.0225983	1.87
125.0756073	1.91
135.0956116	2.96
150.0038605	1.90
153.1112061	0.83
160.9663391	7.19
163.1308746	0.89
168.7383881	2.03
174.0231781	2.22
177.1899261	3.48
179.1339874	2.02
181.1688232	4.27
183.1312103	2.97
189.0688629	6.03
192.5168152	0.40
195.0362396	5.04
205.2544098	0.69
207.2601929	18.08
208.3304596	10.09
209.1765747	6.41
210.0655823	2.00
214.8852081	11.19
215.6944427	0.78
221.1226501	0.92
222.2736664	4.32
223.1767426	11.96
224.1412811	1.16
233.1348724	8.18
234.0151367	0.98
235.2327271	2.32
251.0697479	100.00
252.0595093	8.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
121.1601486	0.07
139.1634979	0.08
150.1244202	0.05
161.1252136	0.03
162.1561432	0.02
165.1483765	0.02
168.7529907	0.01
176.0633545	0.02
181.1239319	0.25
183.0730591	1.74
187.3502655	0.05
191.1138306	0.01
192.8115997	0.02
195.0953064	0.15
199.1651917	1.35
204.7673035	0.05
205.3798065	0.02
209.1697693	0.30
211.0933990	0.04
219.0209961	0.04
225.1340942	0.64
237.2109070	0.02
239.3031006	0.13
243.0922241	100.00
247.3013611	0.03
249.1679688	1.09
254.3195496	0.03
261.2041016	0.02
267.0304565	0.27
273.1337280	0.17
278.9705200	0.08
282.8323364	0.04
285.0969849	1.02
289.3459778	0.02
297.0036621	0.04
301.0455322	0.09
304.3114624	0.04
307.2062683	0.29
309.2741699	0.20
311.0383606	0.14
315.2037048	0.26
317.2116394	0.13
319.1154175	0.06
322.1981506	0.03
323.6279297	0.11
325.4379272	0.02
326.1666260	0.09
327.1313477	0.08
328.0030518	0.03
329.0861206	0.23
343.3045654	0.07
345.1508179	1.88
355.2304993	0.06
356.3600159	0.09
357.1809387	0.11
359.4519043	0.18
360.4307251	0.03
361.4251404	0.17
362.1062927	0.07
363.1495667	0.04
363.7638855	0.03
368.6312866	0.04
369.2963562	0.09
370.1384583	0.01
373.3125305	0.20
374.2897034	0.11
375.2469177	0.12
385.0838013	0.03
386.1165771	0.06
387.2385864	0.52
388.1003113	0.01
390.0224915	0.21
405.2146301	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2252
Annotation	Citbismine C
Peak:m/z	Relative Intensity
251.1455078	0.07
280.9558105	0.02
341.1453857	100.00
341.9486084	0.02
511.3062134	0.04
512.2531128	0.26
637.2169189	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	773.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
302.9315186	0.01
545.3427124	2.69
546.2039185	0.26
555.0994263	0.03
557.8860474	0.02
607.1057739	0.01
621.0929565	35.96
621.7936401	15.19
670.4492188	0.01
697.2485962	100.00
698.1109009	5.11
726.9512939	0.02
755.8211670	0.02
939.4528198	0.06
940.4749146	0.01
1072.5563960	0.01
1091.0572510	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	615.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
179.0666962	3.17
213.1311035	0.06
215.1231842	0.14
216.2465515	0.05
233.0853577	1.60
245.0805664	0.20
272.1384583	0.08
290.1170654	0.51
291.2067261	0.14
308.1011047	100.00
320.0146484	0.04
355.0534668	0.06
356.2968750	0.22
357.1660156	0.17
360.9655151	0.05
393.3035889	0.05
411.3337402	0.03
423.0743408	0.28
452.9989624	0.37
456.5038452	0.06
479.0289307	0.04
485.2984619	0.50
486.4696655	0.19
517.1348267	0.08
522.4988403	0.22
532.9820557	0.05
545.7444458	0.11
551.3201904	0.07
554.8123169	0.26
555.9013062	0.04
569.0823975	0.06
579.5129395	0.04
596.5502319	0.37
597.2608643	0.52
598.4066772	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	499.12
Annotation	3,4-Dicaffeoyl-1,5-quinolactone
Peak:m/z	Relative Intensity
152.8950500	0.25
155.0878601	0.02
162.2339172	0.11
169.0572205	0.30
176.8917847	0.09
186.9054565	0.11
193.0032349	0.14
204.5710754	0.08
209.1628418	0.05
227.2155151	0.08
234.0795593	0.03
234.9855042	0.05
237.2926025	0.02
248.0144043	0.04
258.1980896	0.14
265.3140869	0.10
268.9592590	0.04
275.1470947	0.33
279.2196655	0.19
282.2241821	0.10
283.1342773	0.03
293.0264282	0.10
301.0775452	0.95
303.1425171	0.05
305.0672302	1.03
306.0214233	0.44
306.9792786	1.63
311.7577515	0.05
319.0312195	2.35
321.2356567	0.63
322.9356079	0.11
323.9286194	0.03
329.0407104	0.06
331.0318298	0.21
331.8505249	0.03
335.5218811	0.10
337.1304321	0.58
341.3206482	0.02
343.0869751	0.05
349.0371094	0.16
354.9785156	0.12
359.3528137	0.02
360.5610962	0.84
361.1897583	2.14
367.2050476	0.47
370.4783630	0.16
373.1049194	0.61
375.4463806	0.06
377.0556641	0.32
379.0442200	100.00
379.9227905	0.01
389.9699402	0.01
391.1522522	14.81
397.1910095	0.06
401.2498169	0.40
402.9681702	0.97
403.5931702	0.01
405.1085510	0.04
407.1129456	0.04
408.1511536	0.92
409.0176086	2.78
411.2007446	0.04
415.0022278	0.59
417.0625916	0.01
420.9620667	1.02
428.4211121	0.03
433.3014221	0.29
435.4410400	0.04
438.4674377	0.49
439.1481628	0.73
445.1049500	0.03
450.8247681	0.04
453.1479187	0.17
455.1336975	0.12
458.1648865	0.07
459.3052673	0.02
462.9449463	0.77
464.3038940	0.35
466.2991638	0.04
468.9492798	0.06
472.6093445	0.05
476.3760376	0.12
480.5349426	0.86
481.2618713	2.90
482.1029968	0.07
483.1829529	0.07
489.6949768	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2417
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
93.09513092	0.25
95.15418243	0.50
96.78668213	0.86
98.78504944	0.33
104.9658356	0.25
109.0023499	1.22
111.0900421	0.14
112.9135284	0.24
121.0591736	0.81
123.0453873	0.84
125.0888824	0.17
127.1335907	0.25
128.9181061	0.12
130.9796448	0.08
133.0245972	0.51
134.8612518	0.77
137.0549622	0.50
138.9632568	1.19
141.0252991	0.18
143.1038208	0.25
145.0326538	0.08
147.1776123	0.11
149.1020203	0.94
151.2000732	1.17
152.5122681	0.18
153.1333618	1.63
155.0064087	0.79
157.1475525	0.30
159.0294495	0.22
161.1603851	0.49
163.0501099	1.87
165.1670532	0.36
167.0041046	0.38
169.0367432	0.70
171.1941986	0.91
173.1455841	0.31
175.0289612	0.18
176.9707794	0.32
179.3058014	0.14
181.1235962	0.58
183.0910797	6.30
185.016983	0.58
186.8072205	0.19
189.1834564	0.33
190.9603271	0.21
193.2628021	1.05
195.140976	0.55
196.9654694	4.56
197.586853	0.03
199.1846008	0.96
201.11203	0.56
203.2791443	1.23
207.2640686	0.82
209.1512756	0.50
211.0916748	2.91
213.1315613	1.33
215.4558411	0.08
217.2227783	0.08
219.2206116	0.26
221.1865845	2.40
223.1746826	0.88
225.1736145	1.19
225.9821167	0.25
227.1622925	0.69
229.0888977	0.56
233.1610413	4.42
235.4095459	0.32
237.2424316	5.81
238.20224	0.11
239.2223816	9.97
241.2952271	0.81
243.2571411	2.59
251.2678223	6.55
252.427124	0.39
253.2809753	1.22
255.1352234	3.42
256.0594788	0.07
257.1210327	1.62
261.2856445	6.28
266.5573425	0.67
267.1907043	0.07
269.3502197	0.71
279.2221985	100.00
280.295166	0.25
287.7132568	0.28
297.1075439	0.20
309.8639221	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	336.95
Annotation	Unknow
Peak:m/z	Relative Intensity
105.9735718	0.17
111.8948288	0.12
122.8688202	0.13
132.9653931	0.32
156.8030701	4.64
173.2723541	0.22
174.8430328	52.46
186.2198181	0.08
199.1297913	0.29
203.9942017	1.44
205.1924591	0.06
207.0187683	0.09
208.1513977	0.06
216.9261169	2.45
222.8398132	0.24
225.3068848	0.03
228.9188843	0.26
231.0193176	0.61
242.8973389	0.03
246.9004211	2.96
248.9085083	0.14
252.8419800	0.13
255.1961060	0.18
257.2221985	0.12
258.7662964	0.90
261.1710205	0.57
273.2562256	0.04
277.0127258	6.26
278.0905762	0.20
279.0185547	0.04
288.6189270	0.10
290.9735718	0.23
293.8836670	0.06
295.2033081	0.16
300.9742432	1.29
306.8765564	0.03
318.9746704	100.00
319.9816284	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	469.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
167.0461731	0.13
169.0159760	21.67
169.9288025	1.20
171.0767975	0.08
214.0408020	0.06
241.4400482	0.43
242.8535461	0.10
259.4560547	0.14
276.9767151	0.20
286.3042297	0.37
308.0274353	1.28
309.2521057	0.17
313.4253540	0.05
317.2869873	6.38
318.1526489	0.15
348.3610840	0.78
362.3005066	0.33
371.3582458	0.09
384.1993103	6.30
385.1071472	0.06
387.0477905	0.10
393.2697449	100.00
394.3016663	4.98
400.0844727	0.11
403.5220947	0.09
406.6332397	0.08
413.4183655	0.13
429.2904968	0.30
431.3247070	0.15
447.3133240	0.30
448.2531433	0.21
465.2774048	0.22
466.3526306	0.14
511.3752747	0.09
537.4971313	0.04
554.9649048	0.49
556.2102661	0.09
599.1181641	1.06
600.0896606	0.12
601.2056885	0.78
602.4932251	0.06
617.1992798	8.41
618.3637085	4.25
619.3281860	0.65
707.2935181	0.06
725.4195557	0.21
726.4578857	0.39
769.1473999	55.61
770.1940918	23.44
771.2395630	5.18
787.1736450	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
105.0639343	0.57
106.8477859	0.49
108.9928894	0.58
117.0191193	0.42
120.9504089	0.48
125.0295563	0.22
131.0492249	0.55
135.0313568	1.38
136.8153381	0.19
139.2345276	0.17
142.1390381	0.30
142.948349	1.30
147.0024719	0.48
149.086792	0.37
150.8477478	0.12
155.0521393	0.64
156.9996338	0.19
158.9914856	1.41
163.2076721	0.38
165.0376282	0.11
167.0375061	0.41
169.1038818	0.80
171.3675995	0.12
172.9541321	2.92
179.0016479	0.10
181.0023193	0.09
183.164093	0.62
187.1009064	2.52
193.2818298	0.31
199.118988	0.24
200.1676483	0.18
200.9648438	0.97
203.2631989	0.33
205.323822	0.43
207.1212921	0.10
211.0265198	3.02
215.2512207	0.29
217.2087097	0.75
218.8622742	0.43
220.8532104	0.31
223.2927246	0.68
225.1973877	0.30
227.2727661	0.45
229.1935425	0.23
233.1593018	0.11
235.1214905	0.32
237.1028748	0.09
239.2365723	0.68
241.2456055	0.05
244.0119629	0.06
245.0301514	1.05
247.0906982	5.18
247.8425903	0.03
249.1511841	0.14
251.5060425	0.79
255.3096313	0.32
257.3959961	0.47
259.2104187	0.83
261.473938	0.24
263.2570801	0.73
269.0899048	1.64
273.1868286	0.56
277.2187805	0.17
279.2379761	0.20
281.1726685	0.25
282.0946045	0.08
283.2020264	0.72
285.3760071	0.22
287.2752075	0.93
295.1768799	1.73
296.3372803	0.28
296.9589844	0.54
298.0511169	0.48
299.29776	2.03
300.2190857	0.05
303.2842712	0.17
305.2124023	4.03
310.1819153	0.10
311.1471863	0.11
312.0129395	0.13
313.3400879	1.67
323.2375793	100.00
324.2306519	0.68
325.9562073	0.38
340.0271301	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1087
Annotation	Lactulose
Peak:m/z	Relative Intensity
96.8659363	0.69
100.9601974	5.56
106.8419647	0.48
112.9720306	13.17
115.1065598	0.49
118.9807587	14.13
125.0640259	2.64
130.9503632	5.54
132.8892517	0.10
142.9105530	18.28
148.9916992	3.31
159.0060120	0.14
160.9975281	20.80
175.8909607	0.22
178.9821014	100.00
203.8741913	0.27
209.1563110	0.23
220.9737854	0.77
277.2843933	0.10
280.3161011	0.42
281.1449280	1.23
297.5209961	0.16
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
116.0283813	0.22
116.8258362	0.10
117.9820862	0.25
130.1744843	0.06
143.9719543	1.10
144.9020691	0.60
145.9299316	1.75
146.9629517	0.10
149.8488770	0.10
151.9608154	0.20
161.9643402	8.64
162.9163818	7.15
163.9492340	21.65
178.9467926	35.38
180.0231323	38.57
180.9695129	100.00
190.2034607	0.08
206.8635559	0.14
215.2046814	0.11
216.0582886	0.09
217.1484680	0.53
227.6929626	0.12
233.0043640	3.58
234.0920105	8.47
235.1172180	21.57
245.1560364	0.07
246.0582886	0.91
247.0976257	1.90
271.9880981	0.03
273.0734253	0.56
274.1123047	1.47
290.1488953	0.70
291.1139832	4.61
292.1956482	10.40
293.2088928	1.08
300.7937927	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	457.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
128.8397980	0.14
130.8117676	0.08
160.9863281	0.39
173.1422882	0.13
179.0007629	1.02
203.0995789	0.22
251.1405334	0.25
271.0175476	0.19
277.5330811	0.34
283.0593872	0.10
295.0263977	0.70
305.1709290	0.56
307.1126709	0.13
337.3872070	0.14
341.1326294	100.00
350.1790466	0.11
365.1442566	0.78
385.1849060	0.25
395.3557129	0.04
411.0029297	2.51
413.5152893	0.60
421.3624573	0.07
427.3314819	0.11
439.2713318	2.23
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
95.03528595	1.37
104.9666138	0.27
109.066803	0.23
123.1984863	0.24
125.0635147	0.57
129.3951416	0.44
132.9284668	0.74
135.0505371	0.78
138.914917	1.08
143.0784302	0.65
153.0193481	1.00
155.1876526	0.61
156.6288147	0.18
159.0208435	0.15
162.7343445	0.37
163.8827667	0.38
165.2158508	0.29
167.1091766	0.70
169.3158569	0.51
170.9385376	1.89
172.7922363	0.28
175.8869629	0.52
176.9660339	1.38
179.1287537	0.71
181.0201111	0.90
183.1820221	1.75
185.0257568	0.15
186.8322449	0.11
189.0201416	0.16
191.2320251	0.58
193.0820923	1.21
195.0546722	1.46
197.1062927	0.58
201.2195129	0.75
203.3377686	0.65
205.408905	0.17
207.7940369	0.09
209.2480164	2.09
211.3228455	0.76
213.1859131	1.67
214.921936	0.87
219.1809387	0.71
221.2676392	0.82
223.1094971	1.77
225.1395569	0.52
227.4122925	0.76
229.2321472	0.07
230.0257874	0.52
231.0171814	0.19
233.3677979	0.96
235.2362366	0.72
237.1112366	1.00
238.9631958	1.03
239.6688538	0.58
241.3466187	1.29
243.1800842	0.30
247.2374268	1.54
249.3728638	0.26
250.0406494	0.10
251.0709839	4.79
252.6772766	2.75
253.3166504	4.48
257.1996765	1.27
261.5194397	0.50
263.2815857	0.63
265.130249	1.73
266.1549683	0.44
267.26828	0.29
268.9454346	1.31
269.9187622	0.29
275.1447144	14.64
275.7582397	0.09
277.0029602	0.21
278.9559631	0.88
281.101532	0.47
283.2213745	5.55
293.2062988	100.00
293.9204102	0.18
297.3327026	0.56
302.7344971	0.86
310.4334717	0.79
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
98.91425323	0.15
108.9731903	0.92
120.9239502	0.25
126.9410934	0.39
137.0765991	0.43
138.0866699	0.59
139.0967865	1.64
142.9031067	0.87
144.8338318	0.15
149.1720886	0.90
155.0046234	0.49
157.2349548	0.59
158.9558411	0.33
163.9246216	0.19
165.1890259	0.38
169.1609497	1.20
170.2976837	0.36
171.1259155	0.42
173.1601868	0.98
177.0771179	0.47
177.9947205	0.28
181.0683289	0.26
182.9802246	0.96
185.2789154	0.47
187.306366	0.19
190.8414307	0.51
192.9473419	0.43
195.0652008	0.17
197.1159668	0.37
199.2040405	0.35
205.1672974	1.11
207.2420349	0.60
209.0263367	0.54
211.1690979	2.02
212.1922913	0.11
212.8222961	0.70
215.362915	0.99
219.2519531	0.60
220.9577332	0.22
225.0188904	2.27
226.9831848	1.77
232.7787476	1.14
233.4268799	0.49
234.9913025	0.13
237.1334839	1.65
239.3215027	1.25
241.2232971	0.19
249.485199	0.79
251.3571777	3.20
253.137085	4.48
254.2611084	0.17
257.4275513	0.36
265.1580811	5.72
266.9986572	1.29
269.0326538	1.11
269.7761841	0.58
270.7164307	0.13
275.2492676	8.48
283.2788696	3.45
287.6268311	0.24
291.4024048	0.18
293.2077637	100.00
294.3026733	0.21
302.5444336	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
79.8031006	0.97
80.8470306	0.13
96.8961639	100.00
99.0095062	0.09
107.9084473	0.28
115.1503754	0.16
123.9656067	0.21
126.9431000	0.12
137.9523010	0.18
154.1783295	0.17
177.2342072	0.31
179.0620270	0.05
181.1042175	0.09
182.7159424	0.20
192.9611664	0.24
197.2829437	0.24
205.0546722	0.14
207.1463928	0.49
209.2811737	0.14
219.2804108	0.17
220.2435760	0.16
221.2273865	1.11
223.2266998	0.43
233.2621613	0.08
235.2212067	0.11
237.2656250	0.62
247.0896759	1.40
249.2916870	0.43
265.3773193	1.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	476.276
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
149.0845947	0.04
151.1328735	0.04
154.8755493	0.22
159.2130127	0.04
161.2751160	0.16
162.1835938	0.04
167.2417145	0.23
173.0253601	0.13
176.9328156	0.09
198.0220947	0.16
203.1856689	0.14
207.0930786	0.06
212.8216248	0.18
215.2671051	0.33
216.1194153	0.20
227.6129761	0.19
230.9555969	0.06
233.3261871	0.05
235.4035645	0.18
243.2564087	1.00
252.0553589	0.03
261.1878967	2.24
263.3896790	0.17
265.4450989	0.06
268.6229248	0.08
275.3934631	0.07
281.0275574	0.07
286.4300232	0.11
287.1628418	0.09
291.7968140	0.26
292.7182617	0.13
304.4462280	1.11
317.2745972	0.22
321.2883606	0.05
322.5108337	0.12
325.4399414	0.11
335.3846436	46.51
336.6144714	0.09
339.0844116	0.24
340.5542603	0.09
342.2856140	0.13
344.5080261	0.05
345.3107300	0.12
355.2206421	0.13
356.0597839	0.05
378.4594727	0.26
384.4494934	0.10
387.0990906	0.12
394.3693848	0.06
400.1509094	0.06
412.4598083	0.10
413.1471252	0.16
414.7597351	0.82
415.3707581	5.93
416.8104553	0.20
427.5475769	0.24
431.6500549	0.03
433.1689758	0.94
434.9537354	0.08
441.2600403	0.16
442.2822266	0.03
453.2706299	0.24
458.2097473	100.00
459.1750183	1.49
459.8357239	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
109.1700821	0.16
116.9303284	0.12
121.1636124	1.24
123.1174927	0.65
124.8617859	0.87
129.1169281	0.75
131.0124054	1.15
133.1295471	1.29
134.9959412	0.84
141.0639343	0.90
143.0686951	4.53
145.0782166	1.14
146.9579773	1.80
149.0880127	2.30
151.0932007	1.06
153.0892181	0.46
155.1777039	0.67
157.0773163	0.41
158.9963379	2.52
160.9466248	0.99
164.7193756	0.31
167.561676	0.17
169.0311584	4.18
170.9175415	0.56
173.0812683	5.74
174.8169403	0.88
177.1330566	0.23
181.9315033	0.77
183.1250305	2.18
187.1032715	2.07
189.0378571	1.01
191.2590942	0.89
193.1500549	0.84
197.0043793	0.14
198.970108	0.35
201.1018066	0.30
202.8779907	1.08
205.1937256	2.33
207.0248871	0.11
209.0657959	0.28
210.4419556	1.65
211.0450134	7.18
211.6842041	0.17
214.7596436	0.53
217.3167419	1.06
221.3352051	0.95
223.1257629	1.58
223.8486328	0.36
225.1230164	1.22
226.9613647	0.71
229.0809326	0.60
231.2196655	0.45
235.2872009	0.44
237.359436	0.76
241.2756042	0.50
243.1558228	0.93
245.2861633	1.20
247.2958069	5.07
249.4664612	0.27
251.3202209	1.15
255.9640503	1.42
257.1513977	0.32
259.1289062	0.63
261.4227295	0.76
266.9478149	0.28
267.916748	0.60
277.4074707	1.02
281.0837402	2.64
283.3973999	1.08
285.4254761	1.52
287.3795166	1.74
291.0105286	0.75
295.4484253	1.07
297.1872253	0.72
298.0273132	1.29
299.3189087	1.08
299.9906311	0.45
300.9022827	0.29
303.5003662	0.32
305.2720947	4.40
306.0218811	0.45
309.2902832	0.28
313.5231934	0.60
323.2301025	100.00
324.2896118	1.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	321.0251
Annotation	Digallate
Peak:m/z	Relative Intensity
97.1944885	0.04
112.8770981	0.03
124.9295578	1.12
133.2830811	0.02
149.9468231	0.04
159.0386963	0.18
161.9934845	0.05
168.9302063	100.00
170.0266724	0.08
171.0741425	0.03
189.0868835	0.06
194.9210358	0.33
201.1215057	0.02
204.9533386	0.02
207.1513672	0.02
211.2280273	0.02
217.2633972	0.06
220.2854919	0.03
223.0265198	0.05
230.1775513	0.03
231.1585083	0.07
232.1424866	0.03
232.8064270	0.02
233.4408875	0.06
239.0986633	0.01
240.9309387	0.08
242.9919434	0.02
246.1766663	0.02
248.1218567	0.05
251.2289734	0.04
259.3033752	0.10
259.9494629	0.08
262.9790039	0.06
265.0429382	0.03
272.2600708	0.09
274.1105347	0.20
275.0470276	0.47
276.1604004	0.30
277.0648804	0.72
278.3086548	0.06
283.9216309	0.03
285.2216797	0.11
291.4317627	0.08
292.3165894	0.05
301.1513672	0.19
303.0504761	0.24
303.7075806	0.04
304.9378967	0.03
318.0494995	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	431.1919
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
124.9650574	0.02
135.9425049	0.04
138.1447449	0.06
143.0364227	0.09
149.0174561	0.06
151.1068878	0.06
151.9654541	0.03
153.1477661	0.68
154.2862549	0.12
158.7749481	0.11
160.0727081	0.07
161.0242920	1.27
163.1036987	0.02
178.9865417	0.34
182.2388763	0.07
188.3366699	0.02
203.2405701	0.11
205.1605835	1.29
206.1976929	0.41
211.0542603	0.03
223.0383606	3.71
224.0800934	0.52
224.9685822	0.09
246.0934753	0.04
251.1676331	0.08
269.0639954	0.13
295.2458191	0.03
307.3982544	0.01
310.9004517	0.09
315.0244446	0.03
336.1464233	0.09
341.3829041	0.29
342.3559265	0.06
357.3345947	0.06
358.3581238	0.03
360.2584534	0.01
360.8676147	0.04
364.5315857	0.01
369.6382141	0.08
371.3470764	0.26
385.2010193	100.00
386.1864319	22.44
387.4023132	0.17
388.0976868	0.08
388.8808289	0.03
389.5940552	0.05
390.9359436	0.06
395.9192810	0.02
402.9854126	0.03
404.0394592	0.07
411.4456482	0.07
412.2089233	0.05
414.0599976	0.25
415.3190918	0.36
417.3033142	0.15
433.0068054	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	266.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
80.7312088	0.14
84.7186432	0.25
86.8998184	0.14
96.9858780	0.22
103.9812012	100.00
111.1441803	0.13
122.1287384	1.92
123.0721436	0.87
124.9729156	0.26
144.2595673	0.61
145.0300293	2.48
156.0118866	0.12
171.1330719	0.51
182.0245209	9.18
193.0583496	0.50
196.0315399	0.19
225.0493011	0.26
246.9497528	0.31
248.1401978	0.74
249.1312103	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2626
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
80.93616486	0.38
85.00068665	0.20
87.10687256	0.24
88.8981781	1.29
90.98523712	0.36
92.8095932	0.45
94.82591248	1.06
96.04277039	0.10
96.97142029	1.25
99.11759949	0.99
101.0697784	1.35
105.1761551	0.22
106.7745819	0.48
109.0537567	2.45
110.9212265	0.83
115.0499496	0.30
119.0298996	0.74
121.021225	0.88
123.0338593	1.16
124.4072723	0.10
125.2892456	0.21
126.9221649	0.89
128.9036865	0.88
133.0113831	1.12
135.0838318	5.72
136.9263	1.88
137.9521637	0.08
139.1272125	1.23
140.7267761	1.45
143.1070557	0.62
144.9523315	0.24
147.3504639	0.30
149.0976562	3.73
151.0367279	1.86
152.9507141	0.94
155.0335693	0.91
156.7942657	0.29
161.1394348	0.37
163.1044922	1.66
165.0985107	1.85
169.0612488	3.42
171.3035278	0.74
173.0518799	0.24
174.8122101	0.23
177.1083374	2.21
181.1599274	0.32
182.9723358	0.84
183.7576141	0.27
185.0185089	1.09
191.0244446	0.95
193.3878784	0.29
195.1944885	1.50
196.9613037	0.68
199.2209167	0.31
200.7195435	0.37
203.4169922	0.21
205.0648193	0.34
207.1303101	1.04
209.1856689	0.36
211.1945496	0.40
212.2396851	0.09
213.2801819	0.35
219.2537842	0.60
221.0409241	0.62
223.0546875	0.89
225.0445862	5.37
226.9762268	1.04
229.0872803	0.92
232.3390808	0.24
233.5123596	0.73
237.065918	0.13
239.1123047	2.05
241.0681458	2.08
242.068573	0.43
245.3455811	0.49
247.1890869	28.89
249.3191223	0.19
250.8051758	1.00
253.2226562	0.18
254.256958	0.52
255.1872253	0.23
262.850769	1.36
265.2453003	100.00
266.0673828	0.09
268.7026672	0.19
274.3413086	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	473.0359
Annotation	m-Trigallic acid
Peak:m/z	Relative Intensity
154.2394104	0.06
157.0981598	0.06
161.1077423	0.06
169.0316772	3.09
170.0236511	0.06
172.0868835	0.03
190.9742889	0.14
196.6309509	0.04
207.0783386	0.04
215.1696930	0.02
225.3027344	0.14
232.3463440	0.01
233.0453796	0.08
243.2033386	0.07
247.0207520	0.03
251.1759644	0.01
264.2381592	0.07
265.2831421	0.12
266.3996887	0.03
267.1765747	0.02
271.2512207	0.09
273.3226013	0.05
277.1511230	0.02
293.4328003	0.01
302.1618958	0.10
303.2963257	0.15
304.9511108	0.02
308.3703003	0.05
310.1583252	0.12
311.4377441	0.22
312.9713135	0.04
318.5281982	0.34
321.0360107	100.00
325.5642700	0.14
327.9748535	0.05
329.0343933	0.03
331.0766907	0.05
332.3424683	0.04
339.2767639	0.01
345.1892700	0.05
351.9469604	0.05
353.2230225	0.06
363.1732788	0.04
377.0682678	0.02
377.8831482	0.20
381.4028320	0.30
383.4549255	0.02
384.3581848	0.19
386.1709900	0.05
387.1457214	0.03
389.2510376	0.22
394.3641052	0.02
396.3867493	0.30
399.1827393	0.04
401.1407471	0.05
402.8784790	0.02
409.1804199	0.03
412.5332031	0.03
413.4170227	0.12
415.7424011	0.07
416.3515320	0.01
417.0968323	0.01
425.0726624	0.09
426.2608032	0.34
427.2784729	0.07
428.0551453	0.10
429.2183533	0.39
436.2663879	0.05
437.1321411	0.09
438.9656982	0.02
441.4135742	0.03
443.3099976	0.02
445.3358459	0.07
450.1282959	0.93
450.7661743	0.06
451.4227295	0.05
454.2786865	0.04
455.3248291	0.06
456.8023376	0.08
457.9989929	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	719.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
217.2501221	0.19
224.8228760	0.10
252.9937286	0.13
255.1033020	0.14
258.9589233	0.05
264.9391785	0.11
266.1473389	0.41
267.1471558	0.14
272.1477356	0.17
276.0263062	0.31
277.1835632	0.72
284.8553162	0.27
289.0043030	0.34
291.8469238	0.10
300.9625549	0.49
302.9906311	0.10
307.1073608	0.36
308.2903748	0.12
309.0112915	0.51
314.9224548	0.08
319.1928101	0.13
321.0320435	1.01
325.7236023	0.09
326.8485107	0.32
329.1363525	0.15
333.0901184	0.15
337.1435547	0.13
338.9830017	0.08
342.1184387	0.35
343.1962585	0.55
349.1001587	0.11
350.9090576	0.41
354.3984375	0.27
367.0876465	0.07
369.0244751	1.91
378.0910645	17.44
379.1511230	20.47
380.1579590	0.06
386.0201416	45.51
387.1143188	51.89
401.0618896	0.29
402.4680176	0.05
403.3251953	0.04
404.4755249	0.17
410.1962891	0.61
411.1139526	0.91
412.1980591	0.05
417.2372437	0.11
427.9906006	2.52
429.1807861	2.01
436.2667847	0.36
437.0734863	0.17
445.5589600	0.41
446.9276733	0.20
458.1421509	0.06
470.9197388	0.34
472.1284180	0.14
477.2427979	0.05
482.4720459	0.04
488.0004272	0.14
489.0292969	0.11
495.1391602	0.06
499.9605103	0.09
501.1414185	0.08
511.8150635	0.17
512.4468994	0.11
513.2006226	0.34
519.0632935	0.08
520.1046143	0.48
521.1870117	0.08
529.3249512	0.16
530.2431641	0.78
531.1840820	4.51
536.6247559	0.05
538.3587036	0.31
539.1717529	0.55
547.1000366	2.16
547.8955688	31.39
548.9683838	100.00
550.1134033	1.06
551.5396729	0.25
555.8850708	22.66
556.9755859	28.65
581.1049194	0.09
583.9465942	0.19
598.2532959	0.13
652.0783081	0.18
682.4103394	0.22
700.1583862	1.56
701.0143433	2.91
719.0294800	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	521.2025
Annotation	Acetylchapliatrin
Peak:m/z	Relative Intensity
163.9764709	0.03
203.3530884	0.02
257.1250000	0.03
259.1813354	0.02
263.4524231	0.05
271.0979614	0.03
273.9582520	0.04
301.3010864	0.06
329.5672607	0.02
335.1491089	0.10
340.1906738	0.07
341.4207764	0.01
342.0913086	0.02
359.0186768	0.10
359.6190186	0.01
369.3376465	0.02
373.2609863	0.09
374.1295776	0.11
385.2235718	0.23
389.3577271	0.07
399.2427979	0.02
401.4851685	0.01
427.7360229	0.01
433.3279419	0.19
440.3764648	0.04
441.1818237	0.11
446.3916016	0.04
459.3027344	0.08
471.1024780	0.05
475.3477173	0.05
477.3076782	0.06
478.6381836	0.04
485.1918945	0.30
488.3297119	0.02
491.2911987	49.23
491.9214478	0.09
498.7803345	0.22
503.2993774	100.00
504.1781616	0.01
505.4142456	0.03
506.3408813	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2627
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
80.88700104	0.88
84.82733154	1.93
88.89057922	0.77
90.96363831	0.50
92.992836	1.54
94.99256897	4.59
96.92901611	1.73
98.08558655	0.87
99.10223389	1.35
100.9670868	2.05
105.9373016	0.20
106.9850845	2.57
109.0064774	4.85
111.0503464	4.56
113.00737	0.10
115.0167694	2.13
118.8530884	0.24
121.037674	3.59
123.0738754	4.02
124.9738159	2.75
126.9155426	0.78
128.9790649	0.26
132.9503479	0.81
135.090332	10.36
135.996582	0.14
136.9342651	4.14
140.2468262	0.54
140.9904785	0.81
143.0953979	2.69
149.0782471	9.44
151.0844727	4.51
153.0068207	1.39
154.9880066	0.71
159.1174774	0.61
163.0353088	2.80
165.1511536	3.04
167.0716248	2.89
168.8072968	2.64
169.528717	0.37
171.0832367	1.44
173.1825256	0.80
175.2592773	0.96
177.0523071	6.31
179.1474304	0.26
181.2904205	1.02
182.967041	0.33
185.0995178	2.88
191.1058655	3.07
195.09198	1.05
199.1626892	1.90
201.1542664	0.33
203.4118958	0.31
205.1731567	1.62
207.2733765	4.05
209.0594177	0.67
211.3026428	0.16
212.3948059	0.24
213.0536194	2.09
215.1812744	0.29
219.082489	1.49
221.2223816	0.21
223.1297607	1.15
225.0356445	14.63
226.8716431	0.60
229.1408997	0.66
233.3150635	0.17
239.2321167	6.93
240.2118225	0.83
241.2789917	1.35
247.234314	47.37
254.4727783	0.92
255.1993408	1.10
259.889679	0.55
265.2460938	100.00
266.3907166	0.13
273.749939	0.92
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	227.98
Annotation	Unknow
Peak:m/z	Relative Intensity
88.1796875	0.05
94.8750458	0.11
110.9410095	0.33
134.8933716	0.17
136.1309052	0.05
147.2129974	0.10
156.2126465	0.04
156.9666901	0.23
157.9979706	0.25
168.2017059	0.04
169.2235260	0.17
181.1270752	0.03
181.9532928	0.19
183.9174347	0.47
186.8377075	100.00
191.2087708	0.28
196.0479889	0.33
197.2684784	0.06
199.8598480	0.19
204.7452240	0.46
207.4881439	0.81
209.6293640	1.13
210.4837494	0.16
227.9972076	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	663.1406
Annotation	2-Galloylglucose
Peak:m/z	Relative Intensity
207.1678467	0.25
210.9585571	1.40
211.5646362	0.29
227.0933380	0.19
240.7948914	0.07
271.1245422	2.62
284.1131592	0.07
302.5658569	0.10
313.3741455	0.14
316.1942139	0.14
321.1138916	1.01
323.2076416	0.37
328.4290161	0.09
331.1524048	100.00
332.2326050	1.20
332.9646606	0.03
355.2064209	0.10
357.8893433	0.48
390.3677979	0.08
408.2237549	0.17
455.7224121	0.09
459.0711060	0.04
471.3705444	0.05
484.2223511	0.12
495.0700073	0.23
533.3972778	0.06
543.8123169	0.04
572.2050171	0.22
574.5844116	0.02
575.4685669	0.09
603.5003662	0.06
631.1902466	0.08
644.1123047	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	527.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
153.0879669	0.17
185.0695038	0.06
220.8531952	0.06
229.2994690	0.04
284.1098633	0.06
293.2226562	0.12
304.9140320	0.13
311.1041260	0.05
329.0216064	0.28
338.5918579	0.30
341.1524048	0.04
347.4028931	0.10
348.0959473	0.06
349.3737183	4.03
365.2931519	0.46
368.3563232	0.07
373.0675049	0.06
380.9147339	0.14
383.2282104	0.04
404.4402466	0.07
413.2224731	0.05
414.9018555	0.08
423.0653076	0.11
431.3018188	0.16
439.2560425	0.06
442.6700439	0.09
445.7180176	0.15
450.7556152	0.11
453.2093506	0.03
458.2692261	0.03
464.4158325	0.13
473.1593018	0.03
481.3242188	100.00
482.8847046	0.04
484.2716675	0.80
485.4596558	0.11
491.2996216	0.21
496.4362793	0.11
499.2554932	0.12
500.9135132	0.10
508.3573608	0.12
508.9653931	0.60
509.6549683	0.19
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
135.8618317	0.07
139.9812012	0.03
151.1361694	0.15
153.0756226	0.10
208.1672668	0.12
209.1238861	0.45
210.9149628	0.25
214.2153320	1.38
223.1441803	0.05
240.1578674	0.14
251.2453003	0.59
263.4495239	0.12
277.4954529	0.07
279.2963867	100.00
292.0511475	0.46
296.3217163	0.10
321.2657471	0.09
339.3030396	0.31
354.6002197	0.08
386.4109192	0.40
405.2379456	0.40
412.0122375	0.16
414.4764709	0.12
416.4657593	0.09
420.3874512	0.08
430.4284363	0.46
431.3814392	0.24
432.0473633	0.28
433.4020386	0.09
444.2656860	0.19
447.8980408	0.13
451.0381470	0.29
457.7296448	0.41
458.3721008	0.44
458.9736633	0.14
460.0406799	0.26
475.3666077	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	505.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
160.9766846	0.20
161.9565582	0.07
162.9301147	0.18
169.1109314	4.15
173.1387939	0.53
179.0736542	0.09
191.0743256	35.53
192.7282715	0.11
211.3251648	0.34
263.2726135	0.15
271.1091003	0.19
283.0978699	0.05
287.0047302	0.14
313.3368530	0.24
324.2196655	0.36
325.0874329	0.19
327.4832153	0.18
331.1534424	100.00
338.9943237	0.09
341.3118896	1.03
343.1632080	68.98
353.1812134	1.01
373.3048096	0.04
385.2727661	2.12
397.4515381	0.22
399.3985291	0.25
405.1148376	0.35
407.5873718	0.22
409.1905518	0.04
412.1440125	0.10
443.5396423	0.13
444.3023376	0.04
458.6946106	0.61
459.4726257	0.09
461.1355896	0.21
463.5239258	0.16
469.2848206	2.73
487.1146851	0.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	716.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
212.2105713	0.07
237.3051605	0.05
242.9283447	0.16
251.2109375	0.33
262.9591980	0.09
264.3225098	0.12
264.9427185	0.32
269.2558594	4.85
279.1290283	0.06
281.0869141	0.37
294.6760864	0.67
300.8399353	0.28
309.1755066	0.34
311.3085327	11.84
321.4618530	0.21
329.0944214	0.63
345.4497681	0.37
355.1931763	0.64
375.0401611	0.37
377.3423462	0.43
393.1265259	0.07
395.6786499	0.62
403.8026123	0.13
411.1857300	0.18
413.3430176	0.31
416.1304321	0.52
425.5831909	0.32
429.2249756	1.37
431.0555420	0.06
437.3961182	0.22
441.2655029	0.50
445.0494385	0.41
447.1021118	0.82
459.1896362	0.10
463.1205444	0.66
465.1724854	0.58
467.4454956	0.12
483.2327881	0.11
487.4663086	1.63
505.4709473	100.00
507.5491333	0.63
517.0017090	0.49
518.4206543	0.61
523.2550659	0.07
526.7004395	0.15
534.7774048	0.71
554.4447021	0.17
565.3698120	0.08
567.0263672	1.24
569.0711060	0.14
575.4383545	0.66
581.5568237	0.18
583.4843140	0.17
585.8685913	0.11
593.2704468	0.35
595.0534668	0.31
600.3376465	0.17
611.3689575	0.10
613.0662231	0.43
613.8175659	0.27
623.1931763	0.13
628.7690430	0.27
631.2266235	0.17
632.4072876	0.24
635.5969849	0.25
639.4561157	0.70
642.3760376	0.24
649.5396118	2.40
650.7993774	0.32
656.9459839	0.38
667.0123901	2.96
667.8318481	0.33
670.3651123	1.72
672.7203979	0.23
673.7073364	0.28
675.1497192	0.38
680.0358276	0.38
680.7685547	1.49
681.4822998	0.94
684.0643311	0.10
684.9613037	0.19
685.9470825	0.45
697.4888916	7.31
698.4776001	6.45
699.4875488	6.78
700.7890625	1.66
702.7453613	0.20
717.1342773	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1087
Annotation	alpha-D-Galactosyl-(1->3)-1D-myo-inositol
Peak:m/z	Relative Intensity
88.65563965	0.30
100.9135284	6.29
106.8186951	0.36
113.0051956	13.89
115.3205719	0.22
118.9385376	14.95
125.0324402	2.89
130.9835052	6.48
143.0171204	19.47
149.0315552	3.22
155.015625	0.12
161.0154114	15.80
179.0482788	100.00
191.1171875	0.25
279.3187561	0.84
280.956665	3.30
295.0263062	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	610.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
180.9159546	0.69
182.0270691	0.15
193.2653198	0.28
210.7576904	0.38
212.1425171	0.42
217.2489014	0.12
220.8283386	0.10
223.1129761	0.26
235.1759033	0.11
240.9819031	0.42
242.9348297	0.09
246.2524414	0.24
246.9132690	0.15
250.3003693	0.20
253.0643921	2.22
258.2937317	2.69
258.9379883	2.25
261.1053162	0.30
268.0360413	1.17
269.8582153	0.63
270.9981689	4.54
282.4389648	0.26
284.9454346	0.08
286.0525513	0.15
288.7304077	35.37
289.5020447	0.03
294.1035156	0.16
301.6030579	0.52
306.4338684	1.04
307.1023560	0.89
309.4515381	0.15
324.9309692	100.00
325.9868164	0.22
342.9200439	10.54
344.8986816	0.24
358.6408081	0.16
359.4191284	0.19
367.4181519	0.33
380.2306519	0.25
384.0437012	0.20
385.0639038	0.37
395.1021729	0.09
397.1995239	0.37
412.0946045	0.53
415.2252808	0.29
422.7144775	0.62
423.9868774	0.46
425.1173096	0.72
430.0682373	7.55
433.2305908	0.67
440.1656494	0.09
444.9096680	0.09
447.3607178	1.90
448.0214233	4.91
450.8614502	1.33
457.2484131	0.13
461.0228271	0.29
464.0652466	0.32
467.3779297	0.19
468.6405029	3.32
469.4042358	0.46
474.7266235	0.30
477.2025757	0.45
477.9472656	0.62
479.5015259	0.10
482.0946655	0.19
484.0753784	0.45
484.7214355	0.25
486.1928101	4.92
486.9202881	35.64
494.4356689	0.31
504.7499390	9.18
511.9258423	1.53
520.7516479	0.32
552.4085693	0.60
581.3537598	0.23
591.3015747	0.14
592.1374512	1.77
593.1348267	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	204.0862
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
60.0420456	0.14
67.9805679	0.31
69.9885330	0.65
83.9386749	0.59
84.9760437	0.78
95.9534302	14.52
96.9231873	2.66
97.9847259	1.14
98.9129944	0.15
99.8223114	0.32
101.9564819	1.18
102.8049469	0.39
107.9087677	0.06
108.8849640	0.61
109.9096985	0.97
113.9446869	71.56
121.9618378	1.08
124.1539764	0.50
125.9109802	21.47
126.9222260	1.61
132.1247101	0.26
137.9444427	20.38
138.8164673	0.12
139.6586456	0.29
140.2776642	0.14
144.0060120	7.51
144.9787750	2.55
145.7873383	0.10
147.1956024	0.65
150.0454559	7.70
156.0157318	23.65
157.9827728	72.53
162.0455475	2.11
163.0349884	0.27
167.9885712	100.00
175.7241821	0.28
186.0113678	42.32
187.0158081	0.29
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
212.8836365	0.72
296.9305420	4.18
298.8211060	2.47
324.4736328	0.31
346.8715210	1.01
379.5122070	0.30
380.6043091	16.38
381.7348633	4.21
382.7424316	24.39
386.7366333	0.48
388.7816162	0.36
455.1507568	0.11
459.8889160	0.25
461.9297485	0.11
464.5451660	21.12
466.0659790	12.54
466.7292480	35.77
470.0080566	0.76
485.2526245	0.23
504.2649536	0.27
541.1017456	0.73
548.4205933	19.45
549.9671021	36.53
550.6457520	100.00
553.2236938	0.24
557.6928101	0.10
573.9352417	0.19
574.6332397	0.17
587.6063843	1.01
588.6342163	0.60
611.2107544	0.11
624.9958496	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	663.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
199.0192261	0.13
217.1418457	1.32
258.8242798	0.13
303.1140747	34.18
303.7930603	0.09
321.0115662	100.00
324.2628784	0.08
354.2218018	0.09
357.9609375	0.12
381.2892456	0.05
392.2033691	0.05
405.9750977	0.42
406.9608154	0.06
441.2737427	0.32
455.7941895	0.04
501.0797729	0.51
559.1341553	0.04
603.4435425	0.05
644.5222778	0.06
645.3683472	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	292.84
Annotation	Unknow
Peak:m/z	Relative Intensity
116.1265411	0.23
117.4544220	0.03
122.8911285	0.69
124.8991547	0.52
128.7485046	0.06
132.0768127	0.09
158.0548096	0.05
165.2413177	0.11
189.8572388	0.05
206.8249817	35.40
208.7544250	100.00
217.9156494	0.09
229.3154602	0.15
232.2294312	0.07
248.2895813	0.05
249.4167786	0.04
250.8305054	0.17
256.2215881	0.09
257.2080383	0.06
261.1845093	0.05
274.0827942	0.43
275.1842041	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	521.2023
Annotation	Acetylchapliatrin
Peak:m/z	Relative Intensity
159.0874329	0.04
160.9938354	0.18
168.9990234	0.11
172.9455261	0.07
191.0877686	0.05
210.7855835	0.04
243.1266632	0.16
251.0561829	0.07
263.0946045	0.06
279.0688171	0.08
294.1043396	0.07
303.1056519	0.02
312.2926636	0.04
315.2332764	0.07
317.0942383	0.07
341.1083984	0.33
344.3623047	0.12
359.2326050	100.00
359.8417969	0.10
361.3110962	0.05
387.2330933	0.14
388.5087891	1.09
389.2235718	0.42
393.0470581	0.17
401.1528320	0.16
411.1549072	0.04
413.4274902	0.08
417.3410645	0.11
419.5266113	0.06
423.3571167	0.76
425.1453247	0.11
428.0671997	0.10
430.7761841	0.12
434.3831177	0.05
435.2905273	0.10
440.0988159	0.05
447.2338867	0.03
449.3855591	0.17
461.1760254	0.32
464.0347900	0.05
475.0034790	0.62
476.2682495	0.25
477.3382568	0.07
477.9891968	0.05
479.0507202	0.11
485.1540527	0.29
486.2902222	0.18
491.5457153	0.51
497.5293579	0.38
502.6920776	0.83
503.3202515	1.45
504.2537231	0.22
505.4426880	0.07
506.6050415	0.05
511.8187866	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	515.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
161.0901947	0.18
163.9409027	0.06
172.9844513	2.45
179.0576172	1.55
232.8109894	0.04
281.2960205	0.02
334.8424683	0.02
341.1666870	100.00
353.0104370	0.32
381.4273682	0.09
402.2408447	0.07
411.2501831	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	663.1409
Annotation	Clofazimine glucuronide
Peak:m/z	Relative Intensity
192.9210510	0.14
197.0368652	0.01
211.0381775	0.84
241.1397705	0.10
253.1223755	0.03
271.1643066	1.74
313.2485352	0.08
323.1673584	0.23
331.1315918	100.00
332.3142090	0.08
339.2031860	0.06
403.0263062	0.14
483.2622070	0.01
529.4049683	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.28
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
196.0673523	1.95
213.9745026	0.96
228.4259491	1.00
238.0138702	0.13
241.2333679	0.76
248.169281	0.94
250.3252563	0.25
255.2402954	100.00
255.8541565	0.33
265.3007202	0.17
265.9034729	0.44
281.5037842	0.69
283.5623169	0.22
284.4619446	0.18
330.5392456	0.15
331.883606	0.33
350.308197	0.17
354.170929	0.19
361.4526672	0.72
364.0827637	0.15
365.8069458	0.14
370.0909119	0.35
376.2137146	0.29
377.2730103	1.37
381.2441406	0.33
383.8460999	0.14
392.6768799	0.07
393.4532166	0.10
396.2729797	0.31
406.1793518	1.22
407.5226746	0.13
408.4496155	0.59
411.4713135	0.53
414.2028809	0.45
417.4364624	0.08
420.3443909	0.13
422.3178101	0.59
424.2760315	0.47
433.2347717	0.66
434.1443176	1.10
434.8245239	0.56
437.3130798	0.30
453.09552	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	424.2467
Annotation	PC(11:0/0:0)
Peak:m/z	Relative Intensity
140.1598206	0.05
152.9721069	0.15
153.8371735	0.04
159.0102081	0.03
184.1209106	0.03
196.0826416	1.81
197.0901337	0.23
214.1129608	1.69
215.0451813	0.25
227.2234344	100.00
228.2938232	17.19
239.0815430	0.05
241.1722412	0.10
243.2158813	0.01
244.8028870	0.02
253.0313721	0.01
256.0598755	0.09
257.2104797	0.03
263.2734680	0.02
269.2171631	0.03
271.1266785	0.13
273.1089172	0.03
283.5090637	0.01
286.9793701	0.04
292.9187927	0.15
295.5976257	0.07
297.3213501	0.04
304.9690247	0.10
313.5259399	0.03
321.3434753	0.06
323.2235107	0.10
325.4959717	0.01
331.4389343	0.02
339.5899048	0.02
340.2868042	0.04
341.0434570	0.06
353.4291992	0.23
355.0970154	0.08
363.2851868	0.61
364.2781372	0.17
365.0986938	0.14
367.1418762	0.08
378.2226868	0.06
379.0957336	0.27
381.3503113	0.28
383.2581482	0.18
387.7019958	0.05
389.2560730	0.10
389.9948425	0.02
395.1383972	0.13
395.8058167	0.05
407.2220154	0.52
411.4013367	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	423.0601
Annotation	Cefuroxime
Peak:m/z	Relative Intensity
119.0361710	1.34
135.0599976	0.58
160.9209595	0.08
163.0938110	1.32
177.1036835	0.27
181.1137390	6.20
181.9473572	0.26
199.0005188	82.69
200.1889343	0.54
206.1770935	0.24
215.0123901	27.52
216.1963196	0.08
216.9744568	0.29
223.1095581	0.38
235.3399658	0.06
240.9953613	0.31
242.9535828	12.32
247.0094910	0.16
251.1289673	0.28
252.0534058	0.19
253.1429749	0.18
259.2241211	1.51
261.0397644	100.00
262.1459351	0.64
293.1818237	0.11
294.3459778	0.19
303.1810303	1.58
313.0804443	0.09
326.2637939	0.25
331.0854492	0.50
333.1921692	0.09
334.8077698	0.06
343.2262878	11.28
344.4487915	0.08
355.3112793	0.77
356.2116089	0.24
357.4960327	0.17
363.1841125	0.36
375.3099060	0.29
376.1205139	0.24
377.1108093	0.21
379.2586060	1.14
379.9916687	0.03
384.1853333	0.21
387.0471191	0.19
404.1430969	1.67
405.1255798	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
104.923645	0.79
107.1895523	0.28
108.7847443	0.14
116.0012817	0.13
121.0214386	1.14
130.7982788	0.40
132.7871094	0.65
135.0833282	2.60
136.8041687	0.59
138.9458618	0.83
143.0809021	1.08
147.0622101	1.48
149.0160522	1.02
149.8069611	0.41
151.2457275	0.43
155.0117188	0.93
157.0742493	0.68
159.1051331	0.41
161.091217	0.97
167.1345825	1.83
168.8892059	0.34
173.0601807	2.11
175.2717133	0.82
179.0422974	0.09
182.8732605	0.18
185.2115784	0.96
187.1333008	1.38
189.3764648	1.12
190.9386139	0.84
200.8650665	0.76
203.1965485	0.46
205.2593079	0.80
208.1218262	0.52
210.4318237	0.68
211.4333801	0.82
214.9945984	0.58
217.1925964	1.04
219.3136292	0.20
221.3692017	0.20
223.0892029	2.77
225.1716614	0.26
227.130249	1.19
229.0409546	0.46
231.04953	0.96
232.4383545	0.23
234.0071716	0.27
235.5609131	0.47
236.1800842	0.21
237.1474304	0.81
239.1517639	0.26
240.9015198	0.24
242.4065247	0.96
243.2485657	0.19
245.2922058	1.56
247.2947083	5.93
253.2905884	0.89
254.8365784	0.32
257.0915833	0.22
258.9786987	0.73
263.2950439	0.32
267.290863	1.28
269.0699463	0.14
271.4564514	1.06
277.4121704	0.42
280.9506226	1.26
283.2833557	1.25
285.291626	1.89
288.9621582	0.38
294.1544495	0.59
294.8717041	2.38
295.5272827	1.18
299.1952515	2.15
300.1631775	1.30
305.335022	2.55
309.1030884	1.23
318.529541	0.76
321.3300476	0.35
323.2311707	100.00
324.2408142	1.31
325.4802246	0.48
331.7305298	1.59
339.9968567	0.88
341.2038879	1.70
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
108.8568726	0.16
118.8739929	0.48
120.9675446	1.19
122.8724518	0.24
127.0341644	0.51
128.1959229	0.15
129.0487061	0.33
134.6407318	0.13
138.9156799	0.41
141.0391541	0.12
143.2455292	0.51
145.0692902	0.18
147.0572205	0.33
149.0539551	1.10
150.7099762	0.38
155.1185303	0.35
157.1977844	1.44
159.0720825	0.46
163.0116425	0.30
167.0163116	1.14
169.1564941	0.78
171.2585144	0.11
173.202652	0.38
175.167038	0.45
177.0028992	0.19
178.9835663	1.00
179.9474335	0.17
181.2488556	1.65
182.9891663	0.26
184.8784027	0.74
191.3322449	0.78
192.9168701	0.22
194.1907654	0.85
195.1751251	1.01
197.1835175	3.01
204.9726562	0.22
206.2753296	0.31
209.2209778	0.73
211.1110229	3.23
211.7770081	0.70
213.3739319	0.15
215.0653381	1.19
217.5291138	0.11
219.2610779	0.17
220.1225891	0.55
220.910614	0.48
223.2736206	0.80
224.073822	0.43
225.0904846	1.77
226.9260559	0.40
233.5210571	0.33
235.3252258	0.66
237.4119873	0.95
243.428772	0.22
246.9777527	0.79
247.9007568	1.16
248.8837891	0.10
251.1657104	4.83
252.42453	1.03
253.0776367	1.38
254.9393311	0.58
257.1705933	1.18
263.2633972	0.09
264.2961426	0.79
265.15625	2.07
267.3695679	1.96
269.4595337	1.99
270.2171021	2.24
275.204895	10.29
277.2493286	0.08
279.2247009	0.42
281.145752	0.23
282.2287598	0.14
283.3009644	3.68
284.2671814	0.70
293.2078552	100.00
294.1314087	1.86
296.3724976	1.97
297.3630066	0.29
311.262146	1.19
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
201.1800842	0.09
202.9688721	0.09
244.9287109	0.22
257.3145142	0.10
270.7565613	0.13
273.0239868	1.34
273.8631287	0.40
275.0668945	0.09
358.1984863	0.09
358.9945068	0.16
360.0457153	0.10
387.2449341	0.24
402.8708496	0.07
404.1021118	0.26
427.0978394	2.29
428.1528931	1.47
442.9105835	0.26
456.2126465	0.08
463.1515503	0.04
470.8461914	0.37
471.9569092	0.45
473.0858765	2.40
473.9706421	2.16
475.1348877	0.04
485.0260620	0.13
486.0604858	0.61
486.8898926	0.07
489.9125977	0.09
495.6680908	0.19
496.6917114	0.06
501.9998779	0.16
503.0183105	0.06
513.2732544	0.08
518.7959595	0.50
519.9617310	0.24
529.0963745	0.07
529.7670288	0.11
538.7449341	0.21
540.8807373	100.00
541.8475952	66.24
542.9580688	0.22
548.1156006	0.11
557.0341187	0.06
557.7608643	0.18
559.5444946	0.38
561.2102661	0.08
563.9303589	0.24
570.0700684	0.15
577.2421265	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	515.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
154.9802856	0.14
161.0223846	0.27
170.9268188	0.07
173.0007629	4.85
177.5906067	0.04
179.0162506	1.35
208.9489594	0.02
280.9072571	0.02
320.9661255	0.13
322.0604248	0.05
335.0690918	0.17
338.9534912	0.01
341.1565552	100.00
342.4311523	0.02
343.1899414	0.04
353.1415405	0.26
479.3444214	0.15
496.1802368	0.35
497.0765991	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	345.0826
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
102.0704651	0.12
110.8651123	0.34
112.8816376	0.04
116.0715637	0.14
121.0843048	0.03
137.0126343	1.31
139.0120544	1.23
142.7443542	0.15
151.8545227	0.11
153.8848572	0.11
163.0606995	0.16
165.1965332	0.07
180.1019897	0.20
180.9848633	0.06
182.1733856	0.50
183.0753632	3.11
184.9646301	0.11
187.8371429	0.21
191.1127319	1.08
192.2595673	1.19
193.0975342	0.74
196.9560852	0.38
205.3029175	0.10
207.1912384	0.15
214.6474915	0.21
216.2165527	0.18
224.9795532	0.27
228.9304504	0.11
249.0306091	0.17
257.0158691	0.20
273.3480225	0.24
285.0745239	0.56
299.0789795	100.00
300.3932495	0.98
301.2292175	1.76
302.3892212	0.37
309.2955017	0.37
313.4579163	0.18
314.8213806	0.11
317.1276245	0.48
325.0628357	0.36
326.4083862	0.30
327.2298584	0.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	553.2061
Annotation	Cinnamoside
Peak:m/z	Relative Intensity
161.1513367	0.37
163.2866516	0.14
205.2160339	2.41
209.2863464	0.33
221.0531158	0.33
223.4243469	0.08
262.8131714	0.10
271.3220215	0.20
293.3001709	0.61
325.0310669	0.18
364.9729004	0.22
373.3093872	0.27
378.9718628	0.18
385.2508545	5.54
390.4207153	0.65
391.2902222	0.32
429.2894897	0.08
465.3114624	0.20
507.3366089	0.24
509.4225464	0.28
517.2559814	100.00
521.4453735	0.27
534.4508667	0.61
535.3303833	0.36
536.6375122	1.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	489.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
147.0830078	22.10
147.9584045	100.00
162.8368225	0.49
226.2579193	0.89
276.9394836	0.21
277.7688599	0.77
288.7988892	0.31
294.9761353	0.30
308.9041138	0.39
309.8906555	2.62
324.7749634	3.52
339.9776306	0.66
342.4597778	1.08
343.2158508	1.53
344.0643921	4.01
350.9936829	0.33
360.1094971	12.48
361.3085938	1.19
378.0835266	15.49
379.0138245	1.38
399.1766357	0.44
410.1051636	0.56
417.1379700	0.47
445.5818176	0.37
471.1836243	1.77
473.4772644	0.49
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
140.1839600	0.01
152.9520874	0.03
195.8951111	0.18
196.5748596	0.03
212.9097900	0.09
214.1530762	1.28
230.9216003	0.03
243.2253876	0.01
248.2226868	0.05
253.2837830	0.36
253.9492798	0.04
266.1773682	0.01
267.2720642	0.05
270.4172668	0.17
281.3044434	100.00
282.3883057	0.07
329.3406982	0.04
393.0492249	0.11
397.2467957	0.07
401.3550415	0.01
404.8209534	0.03
406.1647644	0.03
407.3176575	0.05
417.2180786	0.02
418.5534363	0.02
432.1307068	0.06
433.4348450	0.04
434.4427185	0.02
442.0313721	0.07
443.3921814	0.04
458.9258118	0.10
459.9113770	0.21
460.7024841	0.05
461.3716125	0.11
462.5038147	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
116.9422913	0.17
127.0210876	0.38
130.9486694	0.44
133.1120758	0.47
145.24646	0.38
147.2683716	0.49
150.9520264	0.24
155.4901276	0.09
161.0015411	1.20
170.9310303	0.68
181.8661804	0.68
185.197113	1.45
186.6888428	0.17
187.3145294	0.25
199.2104492	1.54
201.257019	1.24
213.3909302	1.98
215.1426086	2.72
217.1635437	0.35
227.2293091	1.37
229.181427	3.27
231.186615	0.57
241.5059509	0.42
243.1186829	3.66
245.3489685	0.51
255.0672607	0.66
257.0849609	2.96
259.2371216	0.49
263.3970032	0.32
266.8053589	0.38
267.4346313	0.15
269.3146973	2.15
270.8379822	0.40
271.4841919	0.78
273.2874756	0.47
277.2731018	0.45
283.4871826	1.16
285.1400452	3.93
287.3948975	0.69
292.9343262	0.11
295.3320618	0.27
296.1083679	0.12
297.2226257	1.53
299.3128662	1.43
303.0048218	0.51
311.0751953	2.34
312.2684326	0.21
313.3448792	3.31
314.4203491	0.15
315.2341614	0.94
320.0994873	0.35
321.2944336	1.22
323.4113159	12.93
325.2998047	0.74
326.9581604	0.57
329.1013489	1.11
330.8099976	0.49
337.3815308	0.50
339.2438354	100.00
340.2575684	0.61
341.2556458	14.90
348.2201843	0.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	526.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
152.0713654	0.13
157.9349976	0.20
163.9954681	0.10
170.0089722	0.14
179.1715393	0.62
183.0109253	0.48
184.3046875	0.38
187.8941956	0.51
190.1760712	0.12
199.0516357	0.30
202.8334656	0.69
204.5509338	0.28
206.9314270	0.62
208.1073608	0.42
219.9509277	0.11
224.1698151	0.14
225.0259094	3.11
226.0274963	1.48
230.1747742	0.17
242.9874573	4.01
244.1990814	3.76
247.9526978	1.05
264.9340210	0.18
266.2002563	0.23
278.1823730	0.16
284.1373291	3.41
285.0880127	0.93
286.9890137	0.14
290.2671204	0.23
292.9164734	0.14
300.2372437	0.15
311.3736572	0.20
327.2663574	0.14
328.2856445	0.41
329.3501587	0.24
346.1354370	0.55
347.0542603	0.20
348.4116211	1.12
349.3793335	0.35
352.1390381	0.38
357.2476807	0.19
359.2799072	0.53
364.1604004	96.63
365.1475220	100.00
365.7570801	0.27
366.6428833	0.12
369.4665527	0.30
371.0460815	0.24
377.1510620	0.45
385.2993164	0.12
388.9296875	1.51
405.4005737	0.24
410.8676758	0.56
446.6777954	0.45
453.6776123	0.12
473.3894653	0.76
480.0532837	0.17
481.0534058	1.37
506.6630249	1.39
508.3598022	7.13
509.3566284	12.52
510.3544922	1.13
512.2333374	0.55
516.2357178	0.84
521.1919556	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	472.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
201.2859955	0.12
208.3831177	0.04
223.9972382	0.04
232.2574768	0.08
238.0677185	0.08
274.2047729	0.07
277.2717590	0.10
279.1065063	0.11
292.0000305	0.17
309.5780640	0.18
310.3275757	0.07
318.9295349	0.04
333.4913330	0.06
351.3218384	0.06
355.3675232	0.16
357.9267273	0.08
359.2069702	0.10
363.1364746	0.08
367.0401001	0.03
369.4303589	0.05
384.3922119	0.07
385.0525208	0.29
389.0899353	0.03
389.9682007	0.31
393.2326965	0.03
400.0263672	0.04
410.3169250	0.12
411.1012573	0.30
412.2103882	0.03
413.2959900	0.22
416.4666138	0.14
425.4463806	0.11
427.2178040	0.08
428.2949219	0.22
430.9844055	100.00
431.5986938	0.53
432.4136353	0.04
434.6727600	0.05
436.8465271	0.04
440.2422180	0.04
443.3480835	0.04
447.8809814	5.91
448.6181030	24.89
449.3500061	0.10
453.3033752	0.70
454.1849976	0.39
454.9500427	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	380.84
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9914703	4.88
160.9465942	0.22
212.8466644	3.87
218.9813538	0.48
260.4448242	0.24
261.1946106	0.21
268.2415161	0.05
270.0969849	0.38
271.1964111	0.04
296.7514648	100.00
297.4229736	0.21
320.6498413	0.07
362.9034729	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	219.1389
Annotation	Montiporyne H
Peak:m/z	Relative Intensity
70.9822998	0.40
73.0244904	0.20
74.8023758	0.25
83.0073395	0.10
93.0142364	0.34
95.0310822	0.22
99.1706390	0.03
107.0629730	0.38
109.0148926	0.30
109.8563385	0.37
110.9387665	4.45
112.8833008	0.10
123.0671387	0.14
125.0141907	2.25
131.1299744	0.28
132.9198608	0.44
133.8643799	0.03
134.9357910	0.34
136.0324249	0.11
137.0515900	2.16
138.0095673	1.28
138.9134979	0.15
146.8974915	0.88
147.8578491	0.76
149.2559662	0.39
150.1719208	0.44
151.1694489	0.16
156.6576691	0.06
159.0879059	0.56
161.0881500	3.10
163.0659180	9.59
164.0291901	3.82
173.1063385	0.49
175.0955658	2.01
176.1424103	2.26
177.2364960	1.67
178.1727295	0.13
183.0113678	1.40
184.9558258	0.85
186.1593781	3.15
187.9412994	0.12
189.0922394	4.68
190.5838776	0.90
191.1863556	1.10
199.1893463	0.15
201.0857239	100.00
202.1208954	0.60
203.0297699	1.53
204.1584473	48.81
219.1746521	2.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
125.2460022	0.02
207.4046021	0.05
341.1824951	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
161.0472260	0.11
171.1445618	0.24
199.2145691	0.14
206.9675293	0.33
211.0956726	0.04
217.1730804	0.32
224.9637604	0.10
241.0098267	0.14
260.9805603	0.21
285.4032593	0.15
293.2753906	0.19
305.1887817	0.09
306.1971741	0.09
309.0387573	0.32
322.9960327	0.73
326.2242432	0.09
327.0814209	0.06
347.3435669	0.16
357.3070068	0.37
359.2066650	0.04
375.0451050	0.09
379.0576782	0.08
385.0051880	0.11
387.2117310	1.27
388.1091309	0.12
402.6301270	0.62
403.3375854	0.24
409.1869507	0.51
412.9394531	0.12
422.9270630	0.09
429.2517700	0.13
432.6671753	0.08
441.2135620	0.99
442.0011597	0.06
458.2590942	0.04
459.3076172	0.12
461.9039917	0.09
469.1737671	0.06
474.0957031	0.10
475.1998291	0.63
478.3260498	0.45
479.2597656	0.08
480.8446045	0.12
489.1585083	0.13
493.3474731	0.12
509.3038940	0.15
519.2338867	100.00
520.6915283	0.93
521.3508301	6.33
522.3719482	1.78
528.9680176	0.26
533.2727661	0.20
535.4097900	0.07
537.2698364	0.07
544.3271484	0.08
547.1864624	0.65
548.1589355	0.18
555.5374146	0.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.2238
Annotation	Linalool 3,7-oxide beta-primeveroside
Peak:m/z	Relative Intensity
148.5174408	0.53
149.1517181	1.53
161.1110535	0.11
178.8612976	0.41
183.0670319	0.09
190.8941650	0.48
220.8435364	1.54
221.4851074	0.05
223.1372986	0.16
224.1852722	0.24
233.0292358	0.05
234.9178467	0.11
238.8200989	0.16
245.2614594	0.27
250.3146973	0.27
251.0450134	0.09
259.2427979	0.12
263.2398682	0.11
280.9464722	0.71
293.0286865	0.90
297.1366577	0.14
301.2259521	0.11
303.2941895	0.30
304.5285034	0.05
305.5213013	0.12
310.4923706	1.31
311.0987549	3.05
329.2715454	0.72
330.9129639	0.36
333.3215942	0.14
340.2188721	0.05
343.1465454	0.13
346.2293701	0.61
347.2276611	2.42
348.3014526	1.38
361.3710938	0.09
366.9355469	0.06
375.3733521	0.16
380.6940308	0.06
386.4341431	0.20
389.2003174	0.11
393.1240845	0.10
395.7672729	0.26
397.3052368	0.26
399.3425903	0.07
401.7087402	0.04
404.9690552	0.26
415.3899536	0.07
417.4351196	0.09
419.7131348	1.40
421.0032959	0.23
422.4711304	0.18
423.1597290	0.22
428.3090820	0.89
429.3916626	0.66
431.2370605	0.51
433.2132568	0.19
435.5551758	0.11
445.1722412	0.12
446.6290894	0.16
447.4548340	0.34
449.3067627	0.33
451.5090942	0.30
461.2365723	1.50
463.2265015	100.00
463.8356934	0.21
465.2717285	0.60
467.1257935	0.16
471.3161011	0.10
473.1127319	0.16
473.8834839	0.65
475.0687866	0.08
478.3283081	0.45
478.9593506	0.41
486.9516602	0.27
490.5451660	0.68
491.3395386	0.91
500.0150757	1.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	448.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
130.9301453	0.10
133.2162628	0.08
135.1811066	0.18
136.9804993	0.03
142.9729919	0.21
144.9642944	0.08
146.9747772	0.47
156.9718323	0.19
159.2216034	0.12
163.0033264	0.05
166.9509583	0.27
174.8085938	0.06
179.1784210	0.04
186.9693298	0.13
189.1763000	0.27
195.0520630	0.27
196.9584808	0.21
205.3297577	0.15
211.1348724	0.04
213.2396393	0.46
218.0108795	0.23
219.2002869	0.13
223.1626434	0.37
225.2426453	0.18
229.3096619	0.21
231.3775330	0.16
237.0935059	0.38
241.0569153	0.53
247.2747192	0.61
248.9703064	0.46
254.2430725	0.08
255.3478394	0.41
258.0582886	0.07
265.0415955	0.38
268.8327942	1.78
272.4126587	0.25
273.2512817	1.30
275.9228821	0.08
283.1501160	0.26
288.8902283	0.04
291.2207947	7.12
292.4442444	0.08
302.1308594	0.12
304.6154175	0.29
309.2287292	5.14
310.4439392	0.12
312.8975220	0.12
314.2653198	0.17
319.2722473	0.20
321.4959106	0.06
325.2946167	0.46
329.2638245	0.21
333.2511597	0.18
337.1407776	0.27
342.3484497	0.04
346.1538086	0.06
349.3009644	0.03
350.9553528	0.12
359.1566162	0.20
362.2154541	3.32
365.3500366	0.09
367.1405334	0.54
374.0294495	0.10
375.0570984	0.17
377.1781616	0.71
385.3717346	0.48
386.3202209	0.14
388.8718262	0.09
392.0710144	0.14
395.0614319	0.93
399.0995789	0.17
402.3482666	0.56
403.1942749	0.42
404.3770142	0.10
405.8910217	0.09
412.0824280	1.19
413.1335449	1.01
417.2890320	0.18
420.3768311	0.08
424.9142151	0.34
430.2107849	100.00
430.9428101	1.35
432.3759155	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	881.1568
Annotation	3,3'-Digalloylprocyanidin B2
Peak:m/z	Relative Intensity
245.1168213	0.13
255.1556396	0.29
256.1482849	0.03
257.0334778	0.02
267.3667908	0.07
269.0864563	1.48
270.0634155	0.21
271.1666260	0.09
274.8175354	0.03
276.4573975	0.03
278.9517822	0.02
281.1705322	0.17
282.0612488	0.11
284.3154297	0.07
285.2922058	0.12
287.2583923	1.03
289.2058105	2.43
290.1879883	0.38
291.1463013	0.08
293.2740479	0.02
295.2398376	0.03
297.2327576	0.18
297.9665527	0.05
299.1310730	0.04
300.8834839	0.03
303.1557312	0.18
304.3565063	0.06
312.2157593	0.02
313.1510315	0.70
314.1201782	0.08
315.2017212	0.07
321.3361816	0.26
323.3064880	0.03
327.2864075	0.05
329.3537598	0.14
330.1196289	0.02
339.0671997	0.14
341.1776733	0.04
363.1090088	0.29
370.4138184	0.14
375.1280212	0.03
376.2044678	0.04
377.4408264	0.13
381.2974854	0.15
389.2525024	1.02
390.3790283	0.59
393.4954224	0.05
394.7630615	0.14
395.5089722	0.18
396.4017334	0.09
397.2076416	0.07
401.2456665	0.08
403.2664185	0.07
405.3214722	0.13
407.1970215	21.33
408.3062744	5.34
409.1740112	0.21
415.1106567	0.22
416.2459717	0.03
419.1923218	1.15
420.3228760	0.12
423.4055786	0.31
425.2383423	0.24
426.3043823	0.05
431.3552246	0.40
432.4544678	0.20
433.2931519	0.80
434.0917358	0.43
434.8189087	0.05
437.2506104	0.28
438.5831909	0.08
439.2855835	1.12
441.1082153	4.29
442.2145386	0.55
444.3182373	0.04
449.2285767	1.22
450.2169189	0.01
451.1665649	1.12
452.3200073	0.57
453.1787720	0.23
465.3720093	0.05
473.4865112	0.05
474.1981812	0.05
475.4569092	0.15
476.5884399	0.03
479.8967896	0.04
483.4191895	0.07
484.2555542	0.17
489.8828735	0.06
497.4063110	0.26
513.4616089	0.05
515.2221069	0.18
516.2925415	0.15
523.3466797	0.33
524.2850342	0.10
529.3132324	0.03
533.3326416	0.10
541.2193604	5.77
542.3380127	1.53
543.1898804	0.01
544.3656616	0.05
557.2904053	0.30
559.1792603	19.42
560.2839966	5.49
561.2880249	0.33
577.1262817	10.27
578.2299805	2.89
584.0607300	0.29
585.3074951	1.47
586.2343140	0.56
587.3639526	0.15
589.2903442	0.34
590.5553589	0.07
591.5852661	0.03
592.4888306	0.15
593.1197510	0.11
594.3469849	0.07
601.2008057	1.18
602.2551880	0.38
603.1973267	3.47
604.2749023	1.42
605.3411255	0.24
606.5094604	0.07
619.2669678	0.07
621.2244263	0.07
621.9719238	0.02
635.2451782	0.28
636.4551392	0.11
644.7480469	0.05
667.4942017	0.21
668.2722168	0.14
684.9373169	0.36
685.5422974	0.19
686.5613403	0.04
693.2792358	0.67
694.3220215	0.64
695.4684448	0.15
701.2582397	0.08
707.6746826	0.01
711.1759644	23.02
712.2457275	8.06
713.2764893	0.18
714.2492065	0.03
720.2736206	0.25
720.9849243	0.09
727.2103271	0.06
729.2143555	100.00
730.1992798	38.22
731.1991577	0.06
736.8311157	0.20
741.8762817	0.09
742.6054688	0.07
743.4828491	0.05
752.9962769	0.20
755.1057739	2.07
756.2463989	0.72
771.2962646	0.06
772.4717407	0.05
787.6085205	0.07
795.8681641	0.23
797.2595825	0.04
805.3262329	0.59
818.7141724	0.02
823.2172241	0.07
832.3563843	0.04
837.2566528	0.27
838.1248169	0.14
843.7628784	0.31
859.1138916	0.03
863.2772827	0.35
864.0778198	0.01
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
155.9941711	0.06
157.0562744	0.05
159.0074768	2.59
160.0023041	1.03
161.0337677	0.97
171.1633759	0.01
172.2439423	0.02
198.9903564	0.39
200.0952759	0.61
200.9967957	0.59
202.1142578	0.04
216.9915009	0.16
218.2331085	0.09
219.1217651	0.10
219.8415527	0.08
229.0834198	0.20
230.0185242	0.24
231.0909424	0.43
232.1897888	0.09
272.9727783	31.35
274.0128479	17.04
275.0664978	35.53
276.0388794	5.50
332.1270142	0.15
357.1661377	0.03
386.9716492	26.18
388.0404358	31.76
388.9686279	100.00
389.9267883	33.09
413.9592896	0.03
426.9280090	0.06
429.1695862	0.22
430.0826416	0.32
431.0817566	0.05
441.6960144	0.07
457.9319153	0.11
459.0385742	1.11
460.0399475	0.02
474.6066589	0.05
475.3727112	0.03
479.5794983	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
104.9617767	0.62
106.4706421	0.12
108.9338684	0.22
120.9506378	2.61
122.9906845	1.00
131.1844482	0.59
132.9215393	0.22
135.022644	3.25
137.2337952	0.47
145.1100769	1.15
146.9567566	0.47
149.0065918	1.50
151.0768738	0.14
153.1407623	0.13
155.0734558	0.67
157.2779846	0.92
159.0772095	0.33
160.859436	1.47
163.9789124	0.15
165.0938416	0.73
169.1017151	0.38
171.2238464	0.30
172.5637817	0.83
173.249054	0.47
175.1583405	0.52
176.3201752	0.13
177.9028473	0.29
178.9653168	0.87
183.0608368	1.09
189.1304321	2.87
191.1348877	0.47
193.3642273	0.24
195.0540314	0.29
196.9047241	1.30
198.9876862	0.16
201.4053345	0.09
205.3784485	1.00
207.0502472	0.13
209.2885437	1.82
211.0375671	0.74
213.233551	0.48
215.0774536	0.54
216.9996338	0.83
221.14151	0.17
223.1068726	2.71
223.9940186	0.26
225.1543579	0.53
226.5830994	0.09
229.0439453	0.43
231.1620483	1.12
234.833313	0.77
239.0548096	0.47
241.053833	0.32
243.1048889	0.71
245.2489929	1.06
247.2691956	4.09
249.3092346	0.66
252.9920654	0.26
257.3893738	0.22
259.1247559	2.15
263.0910034	1.02
264.1222229	0.50
265.2139893	0.47
266.1617432	0.15
267.2236328	0.75
270.0285034	0.27
271.3381653	0.92
273.2489014	0.56
278.9521484	0.21
279.9476318	0.56
281.3429565	1.52
283.089447	1.31
285.4063721	1.00
286.9477234	0.21
292.9114075	0.47
294.8132324	1.46
297.314209	0.27
298.4216309	0.56
299.2302551	2.43
300.1037598	1.63
303.3943787	0.24
304.2405701	0.86
305.1390076	3.22
305.7556763	0.17
310.7268677	0.29
312.1166382	0.45
313.2492676	1.53
315.8934631	0.19
319.2832336	0.11
323.2286377	100.00
323.9502563	0.91
331.6731262	0.27
340.2519226	0.46
341.2151184	1.57
341.8907471	0.63
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
89.3897324	0.18
96.8598328	0.50
99.0791321	0.30
100.9718323	5.51
106.3664551	0.13
112.9019394	17.45
115.0210495	0.62
119.0237885	12.39
124.9145279	2.85
129.1869659	0.54
130.9951630	5.70
132.5775757	0.36
143.0388336	22.85
148.4294128	1.03
149.0455017	2.57
161.0239563	21.71
178.9939575	100.00
200.8627625	0.24
220.8619080	0.24
251.0873413	0.52
262.9002686	0.40
280.9274902	2.19
294.9898682	0.23
299.2528076	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
120.8629837	0.10
130.8191071	0.06
149.1269836	0.29
161.0844574	0.54
167.0482178	0.12
179.0851746	0.15
181.036911	0.48
185.2561646	0.21
191.2400818	0.19
195.1238098	0.10
197.1413116	18.94
201.0727997	0.35
203.0957642	0.53
221.0567932	0.17
223.1749725	2.49
229.03302	0.09
233.2085266	0.14
241.102478	100.00
255.2792664	0.24
257.9911499	0.18
261.069458	0.15
264.0873108	0.18
265.0044861	0.29
267.4150696	0.27
270.3385925	0.11
272.0395508	0.22
273.1038818	0.12
279.2510986	0.24
283.1750183	1.53
301.0693054	0.26
302.9375	0.41
305.1199036	0.44
307.3772278	0.55
310.9836731	0.23
313.2603149	1.00
315.3535767	0.13
323.026123	0.08
325.06073	0.16
329.3681641	0.23
331.07901	0.63
332.1009827	0.25
337.2540283	0.59
338.9742126	0.16
343.2643738	9.44
343.9771118	0.13
345.1647034	0.63
356.2332764	0.44
357.0071716	1.04
359.0639954	1.91
359.6729431	1.24
365.5227356	0.19
368.2127686	0.16
373.2076721	0.22
374.8151855	0.28
383.2264099	1.29
385.1691895	5.70
388.1923523	0.17
393.9566345	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	563.21
Annotation	Stecholide J
Peak:m/z	Relative Intensity
271.2493286	0.04
317.2595215	0.02
333.1091919	0.07
373.3709106	0.05
383.3696289	0.12
385.4932251	0.07
411.2243042	0.01
426.0059814	0.02
427.3479614	0.33
440.2858276	0.04
459.2087402	0.03
463.3414307	0.06
473.2678223	0.13
477.2938232	0.06
483.0196533	0.04
485.3262329	3.06
485.9274902	0.02
491.1431274	0.02
492.1165161	0.05
495.8296509	0.11
501.1118774	0.01
503.4171143	3.98
517.4865112	0.08
519.0066528	0.04
520.9998169	0.05
533.2868652	52.38
533.9199829	0.11
545.2527466	100.00
545.9359741	0.22
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
90.95013428	0.16
93.11974335	0.56
95.30712891	0.42
101.0669708	0.15
107.1774597	0.20
110.9116898	0.39
116.8933411	0.51
121.1932755	0.19
126.7898026	0.64
128.9324341	0.26
131.1434631	0.46
135.06604	2.53
137.0952911	0.12
138.9770966	1.13
143.0576172	1.11
146.2710266	0.58
149.1324005	0.12
151.2109985	0.35
152.7947998	0.30
154.9767456	0.95
159.2821198	0.59
160.9533081	0.25
165.1915436	0.25
167.0621948	0.92
169.1505585	0.69
170.7954407	1.71
173.2424622	0.24
181.2360535	0.99
182.8747101	0.72
185.165329	0.64
187.2079163	0.77
189.1913452	0.16
192.8847504	0.71
195.2689056	1.85
196.9864349	1.70
198.1672974	0.17
199.2938843	1.75
201.3409119	0.67
205.1147766	1.63
207.1124878	0.60
209.1410217	0.94
211.0732117	0.61
213.1434326	1.33
214.2990112	0.57
214.9485779	0.31
217.118042	0.80
220.5018005	0.78
222.9261169	1.26
225.1876221	2.04
226.1594849	1.06
227.0987244	1.83
229.1220398	0.65
231.1829529	0.37
233.0346069	0.41
235.1798096	0.76
237.2272339	0.23
239.024353	2.32
240.288208	0.92
241.4293213	0.18
244.1856995	1.22
247.0227356	1.16
249.2487793	0.19
250.0867615	0.10
251.1514893	2.35
253.1968994	6.34
255.3525391	1.36
257.3612671	0.35
265.1208801	4.75
267.2927551	1.43
269.0724792	1.67
270.2404785	0.74
274.6995239	3.77
275.3243408	17.41
277.2043457	1.45
280.2933044	0.50
281.0083008	0.54
283.1642456	3.11
288.0324402	0.34
290.727478	0.98
291.5812378	0.17
293.217926	100.00
294.3707886	0.35
295.1488647	0.18
302.2341309	1.41
310.3483276	2.37
312.4116516	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	581.2406
Annotation	Biliverdin
Peak:m/z	Relative Intensity
202.9737549	0.44
211.2608643	0.16
238.9159241	0.61
240.3098297	0.11
241.4404907	0.32
243.0695648	0.21
268.9072571	0.19
283.0327148	0.51
285.2442017	0.69
296.3945312	0.14
297.7746582	0.11
298.9669189	0.09
331.4033203	0.07
338.3558350	0.13
342.0765381	0.18
343.4370728	0.46
345.9334106	0.13
358.2878418	1.86
368.1490479	0.10
369.2071533	0.10
370.3207397	0.34
371.4135132	0.09
372.3333130	0.40
380.0117798	0.14
397.1762695	0.16
402.1945190	1.78
412.1315308	0.64
414.1508789	0.64
416.0466919	0.08
417.2144165	0.67
421.2680054	0.14
450.3005371	0.11
451.0171509	0.08
460.4376221	0.05
465.2961426	0.21
466.4434204	0.26
471.4285889	0.19
477.6301880	0.11
478.5925293	0.35
485.3708496	0.21
487.6004639	0.82
493.3461914	34.24
494.4730835	12.32
505.7171631	0.31
508.6149292	0.08
512.7592773	0.06
518.9963989	0.76
520.4174194	0.60
521.1806641	0.41
522.0601807	0.39
523.2864380	0.15
533.2171021	0.27
535.9540405	0.55
537.2989502	100.00
538.4429932	37.98
540.0750732	0.15
542.2528687	0.41
544.4176636	0.46
546.2359619	0.51
560.4464722	0.12
561.3057861	0.50
563.6344604	3.95
564.5128784	1.78
567.2409668	0.05
571.5677490	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	423.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
129.0067596	0.04
160.9900818	0.05
169.2671204	0.04
181.1465149	0.03
187.1466064	0.78
195.2394867	0.14
197.2733917	0.06
199.2600098	0.38
201.1859589	1.28
215.2090149	0.04
222.9737701	0.07
225.3387756	0.40
242.3233948	0.20
243.1186829	2.06
244.1030579	0.08
249.3423767	0.14
254.9833069	0.04
261.1703186	100.00
267.0187073	0.05
271.1247559	0.07
273.3948059	0.04
279.1065979	0.06
285.3156128	0.21
300.8634644	0.10
303.2338867	2.11
308.1258545	0.06
309.1367493	0.06
312.8823853	0.09
315.4157104	0.21
316.4075623	0.04
318.0292969	0.09
322.7625732	0.07
324.7104187	0.08
327.1446228	0.07
333.2935181	0.76
335.0861206	0.06
345.1933899	0.04
347.3877563	0.07
351.3072205	0.02
363.2071228	2.85
365.6053162	0.10
373.9897461	0.03
374.9922180	0.04
377.3194885	0.79
379.3020935	0.29
384.6335144	0.10
385.2955627	0.14
387.2127686	0.75
389.1470947	0.09
393.0959778	0.10
395.1058044	0.23
400.5788879	0.06
405.2386780	1.49
407.1605225	0.12
407.9928894	0.08
414.0418396	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
119.1155396	0.04
137.1726074	0.07
142.9692383	0.11
148.6665039	0.09
161.0859985	0.20
162.8656006	0.08
166.8926086	0.04
169.2205811	0.03
179.2335052	0.14
180.1355133	0.04
181.1531982	0.12
197.0899353	18.47
203.2851562	0.08
205.0370178	0.11
213.2431793	0.04
221.0317078	0.03
223.2170410	0.70
241.1636353	100.00
241.8746338	0.04
251.3987122	0.05
265.3094788	0.12
281.2657166	0.05
283.2041626	0.73
295.1741943	0.11
299.5410767	0.03
305.4132080	0.02
309.9421387	0.04
313.3480835	0.26
315.2403259	0.16
325.3005371	0.07
328.2263794	0.07
329.1733398	0.04
341.6304932	0.01
343.1221313	1.52
354.6056213	0.05
357.2972107	0.08
359.7382202	0.04
370.2146912	0.04
383.3303528	0.05
384.0476074	0.14
385.3019714	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	343.0668
Annotation	Theogallin
Peak:m/z	Relative Intensity
98.9051819	0.03
100.9808426	0.04
102.9302826	0.04
111.1360474	0.02
113.0330048	0.16
114.9823990	0.06
118.8907318	0.02
120.0545044	0.04
120.8367767	0.03
125.0600433	0.76
127.0974960	0.09
132.1181335	0.11
135.0278625	0.18
137.0845032	0.06
138.9611359	0.06
143.0283813	0.08
154.7722626	0.05
158.0189819	0.05
161.1423798	0.03
161.9809265	0.09
163.1701355	0.11
168.9716034	10.31
172.1717377	0.06
173.0809326	0.29
177.8897400	0.07
179.0112610	0.34
180.1302338	0.35
180.9946594	1.51
187.0430450	0.06
191.0016785	100.00
192.2708435	0.04
195.1486206	0.05
202.2497101	0.03
205.0124207	0.09
207.1495819	0.03
210.9414368	0.03
214.2255859	0.04
219.0983582	0.11
223.1784973	0.14
227.6441650	0.17
241.1082458	0.02
243.0270081	0.11
245.3001709	0.01
255.0738831	0.18
263.1186218	0.03
265.2150574	0.03
273.2176208	0.08
281.0280457	0.14
281.8068848	0.10
283.3507690	0.07
284.2567139	0.04
295.2996826	0.05
297.0694580	0.61
298.1398315	0.06
299.1373901	0.48
311.1342773	0.04
315.0674744	0.16
323.1702576	0.14
324.2852478	0.13
325.2998047	0.25
334.2003174	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2626
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
80.97369385	0.55
83.07942963	1.09
84.96944427	0.15
86.69561768	0.28
88.730896	0.39
93.0583725	1.25
94.97854614	3.94
97.01433563	2.06
98.31526947	0.41
100.9835815	5.87
104.9496994	0.90
106.967926	2.10
108.9975891	5.83
111.0485077	1.74
112.861557	1.09
114.9761353	3.10
121.0386505	4.58
122.9734268	4.28
124.9012146	0.74
127.2241592	0.17
128.9133453	3.35
131.3194427	0.73
132.9962769	1.93
135.129364	9.61
136.8904572	3.10
137.9768982	0.66
138.955658	1.76
140.9509888	0.78
142.8678741	1.28
149.134491	6.07
151.183075	4.02
153.2159882	1.73
154.9673309	1.68
156.985733	1.13
163.1274414	8.46
164.9977112	5.76
167.1278076	3.86
169.0479431	1.39
170.9434509	2.04
177.021637	6.59
180.9251556	1.42
183.3192749	1.47
184.9869995	1.50
189.1061859	0.85
191.117218	4.46
193.1270142	0.33
195.0313721	1.14
199.1827087	2.23
205.1529846	2.02
207.1253357	1.15
209.0428467	1.70
211.1533508	2.20
212.9364624	0.52
219.1630554	0.18
221.3440857	0.64
223.0060425	1.66
224.9479065	11.01
227.2279053	3.39
233.1668701	0.21
236.3684998	0.99
239.2393799	4.15
241.0800781	1.26
247.1697998	43.77
247.7860718	0.58
251.2787476	0.40
253.1674805	1.88
255.4088745	0.48
265.2461243	100.00
267.2966919	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	524.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
197.1484375	2.89
223.1202087	0.98
223.7903748	0.03
239.1351013	0.05
241.1054535	29.87
243.2432861	0.06
265.2954712	0.10
266.0894775	0.05
272.2880249	0.16
274.1622314	0.12
275.1528931	0.05
283.1096802	0.44
295.0340576	0.09
302.1964722	0.05
310.1778564	0.06
310.9888306	0.07
313.3334961	0.12
318.1882935	0.27
325.5196533	0.05
343.2581177	1.56
344.2083130	3.44
362.2055054	23.52
367.3738403	0.07
385.2366943	0.14
386.1634521	0.20
392.0799561	0.22
403.2440186	100.00
415.7003784	0.03
420.2639771	0.03
430.1475220	0.23
434.0900269	0.11
437.4238892	1.18
444.3147583	0.03
450.1387939	0.10
463.3264771	0.53
464.1267700	0.42
477.4335327	0.31
478.1268921	0.89
478.9723511	0.21
480.4891968	0.19
481.3430786	0.31
484.2561646	0.15
484.9354858	0.29
488.2545776	0.08
496.1770020	0.17
496.8698730	0.60
501.4227905	0.09
506.2271729	0.89
514.3916016	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	290.85
Annotation	Unknow
Peak:m/z	Relative Intensity
122.9104996	1.61
189.6736755	0.03
206.7858276	100.00
228.0598755	0.03
229.6399536	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	518.1706
Annotation	Piperacillin
Peak:m/z	Relative Intensity
161.9550781	100.00
162.5960083	0.11
180.8539124	1.42
282.8948364	0.40
285.1104736	0.23
337.5204468	0.46
338.2561035	0.53
338.8988647	0.50
342.2753906	0.45
349.3690186	0.36
361.0249023	0.21
375.7073975	0.45
415.2434082	0.39
427.8728027	0.14
440.6700439	0.79
444.3224487	0.53
457.4044800	0.09
459.1975098	0.29
471.5115356	0.69
472.2248535	0.21
473.1542969	0.18
476.9314575	0.37
479.9003296	1.23
482.0227051	0.17
483.1331177	0.34
497.1469116	0.54
497.9907837	0.40
499.3629761	0.34
500.2992554	1.00
502.4443970	1.39
514.1832275	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2249
Annotation	Lactulose
Peak:m/z	Relative Intensity
209.0825806	0.01
280.7566528	0.11
297.0169678	0.08
316.0907593	0.06
328.1349182	0.03
339.3413696	0.02
341.1679077	100.00
342.1339722	0.04
463.2258301	0.02
511.0126953	0.05
520.3632812	0.05
544.3082275	0.08
549.2384033	0.02
577.3002319	0.09
578.1558228	0.06
579.4321899	0.08
624.9165039	0.06
636.3204346	0.07
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
110.1849670	0.06
117.3203735	0.03
119.6046143	0.04
128.0303497	0.09
130.1560822	0.13
133.9965210	0.08
146.1263885	0.17
180.1292114	0.25
184.1781158	0.23
193.9684906	0.14
209.0378113	0.05
212.1557312	3.24
216.7960205	0.06
235.1628418	0.02
237.2378845	0.03
239.0626526	0.09
240.3398438	0.19
247.3341675	0.17
251.9920654	0.04
262.0765991	0.12
262.8640747	0.20
265.0843811	0.20
265.6992188	0.02
268.2062378	100.00
269.1933594	0.24
273.1300659	0.07
278.8867798	0.57
280.5958252	0.19
283.0565186	1.08
284.8070068	0.03
287.6996765	0.03
288.5832214	0.33
292.2551270	0.03
292.9451294	0.08
296.0266113	0.08
296.7515259	0.06
300.8749084	0.12
303.3923340	0.12
304.1435242	0.17
305.6138611	0.19
306.3470459	0.47
307.2408447	0.03
308.2533875	0.38
310.6305542	0.13
314.5548706	0.44
315.3560791	0.10
323.8743286	0.16
325.0709839	0.13
333.3370056	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	567.2078
Annotation	Acetylchapliatrin
Peak:m/z	Relative Intensity
178.7611389	0.21
193.3495178	0.18
195.3851929	0.08
207.2508545	0.18
228.1876984	0.06
271.2671204	0.83
272.2170410	0.69
273.2046509	0.18
283.1871948	0.45
290.1381836	0.06
302.2226868	0.08
313.1526184	0.19
314.0186768	0.17
330.3178711	0.06
339.1649780	0.35
344.6131592	0.13
357.5261841	0.32
370.2575684	0.25
387.3403931	2.76
389.2681885	0.09
404.0656738	0.57
405.2661743	2.49
415.6403198	0.58
427.1106567	0.07
429.0671997	0.10
437.2984619	0.14
445.2129517	0.05
447.4421997	0.33
479.3747559	0.15
480.2451172	0.25
481.4020386	0.82
489.3771362	0.54
491.0871582	39.71
491.6979980	10.31
492.3590698	0.05
493.4033203	0.19
496.3240967	0.29
503.4441528	2.24
505.1787720	0.13
507.1746216	0.36
519.1300659	0.44
521.1851196	100.00
522.0486450	1.57
523.1743164	0.74
523.8627930	0.27
531.3074341	0.22
536.6599121	0.05
537.7273560	0.09
538.3611450	0.08
544.1589355	0.13
545.1838989	0.28
549.3200073	1.01
553.7947388	0.49
557.4594116	6.83
558.1950684	0.25
566.6378174	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	771.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
214.8043671	0.44
216.9807129	1.17
218.8837585	0.07
233.0809326	15.58
234.4155884	0.09
235.0587921	0.53
237.0169830	0.62
243.1260986	6.73
261.0307922	55.82
262.1123657	0.50
262.7607422	0.10
278.8877869	69.59
280.0523682	2.82
297.0211487	0.52
297.9707642	0.19
305.0467529	100.00
305.9483032	2.94
311.6708069	0.10
319.2395020	0.15
322.7648315	0.32
332.3901367	0.28
335.2183838	0.59
365.1683044	0.72
366.3243408	0.35
387.1737061	0.17
389.1279297	0.89
395.0542603	0.73
403.2122192	0.11
407.1633911	0.63
413.1282959	17.41
414.0627441	0.54
428.2756348	0.47
430.3384399	7.86
430.9878540	62.70
431.8016968	0.32
449.1168823	12.83
450.1196289	1.97
456.9904175	2.81
457.6246948	0.26
466.8313599	0.76
467.8251343	0.17
474.5401611	0.17
501.0574341	0.15
523.0935059	0.32
547.0404663	0.29
552.9653320	0.35
565.0696411	1.71
583.0828857	14.65
584.2108765	0.35
591.1715088	0.11
600.6466675	7.17
601.2583618	7.23
602.2986450	1.67
618.4104614	0.51
619.1663208	7.98
620.4284668	0.49
639.4064331	0.07
681.5552368	0.08
723.5198975	0.69
753.0336304	3.64
753.7627563	0.81
754.6810913	0.49
756.8023071	0.81
762.6492310	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	664.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
196.2416687	0.16
199.5155029	0.05
207.2380371	0.33
208.2689056	0.18
212.0867004	0.72
213.0136414	0.24
216.9558868	0.16
219.0970764	0.33
221.1974945	0.36
231.2522583	0.05
232.2481232	0.37
233.0623169	0.05
235.2448120	0.23
239.2048187	0.12
241.2712097	0.64
255.3359985	0.04
257.1187744	0.04
258.9326782	0.60
259.8925476	0.30
260.5810242	0.19
263.1746216	0.03
275.2870483	0.77
277.2441406	18.47
278.2705078	5.12
279.3135986	0.05
287.1856384	0.12
290.2302856	0.10
291.2029419	0.28
295.2670288	2.32
296.2979126	1.19
309.2300720	3.21
310.3545532	1.72
311.2243042	0.34
316.1279297	1.15
317.1434631	0.17
321.2881775	0.08
328.6126709	0.10
334.0874023	0.97
335.3729248	0.35
336.0734253	0.13
341.0148315	0.12
346.2089233	0.04
349.1459961	0.15
350.4000244	0.23
352.0282593	0.07
353.1807861	0.60
359.0833740	0.06
363.1493530	0.07
364.2227173	0.09
367.1998901	0.24
368.3454590	0.11
370.3619385	0.60
371.3721313	0.20
380.6221313	1.08
381.2360229	9.42
382.1945801	2.32
385.3413696	0.26
386.4295044	0.03
387.2973022	0.04
391.6124878	0.14
395.3352051	0.05
397.1875000	0.07
398.3334961	9.19
399.2054443	16.79
400.2332153	2.77
407.2163086	0.05
410.1543579	0.09
416.2366943	100.00
417.3029175	27.89
418.5042114	0.24
421.3829956	0.07
428.9828491	0.05
440.3702393	0.18
441.2977295	0.27
447.0358887	0.08
458.4665527	2.35
459.3708496	1.52
462.3140259	0.16
471.1317139	0.34
473.2416382	0.09
482.2915039	0.08
482.9579468	0.13
483.5743408	0.06
488.1846924	0.33
489.3765869	0.46
490.7207642	0.14
493.4683838	0.21
494.0850220	0.15
494.7079468	0.07
499.8473511	0.17
502.3927002	0.32
503.3058472	0.12
506.3270264	0.65
507.1840210	1.00
507.9763794	0.34
510.6061401	0.12
515.1270752	0.16
524.4787598	0.09
525.2283936	0.18
526.5989990	0.47
545.2247925	0.08
549.6206665	0.06
551.4104004	0.11
560.2702026	0.22
565.3231201	0.14
566.4271851	0.52
567.5145264	0.25
575.3404541	0.27
578.3210449	5.67
579.3152466	1.77
583.4803467	0.26
585.4377441	0.07
586.2108154	0.08
592.9671021	0.75
593.9508667	0.53
600.4940186	0.10
601.3847656	0.37
602.5206909	0.65
603.2563477	0.10
610.3279419	6.12
611.3885498	5.24
612.4485474	0.56
618.5192261	0.33
619.7169189	0.54
620.3856812	1.31
621.4955444	0.63
628.2069702	6.15
629.3120728	3.71
630.3632812	0.45
631.6266479	0.18
634.9849243	0.03
646.3483887	11.04
647.3179321	5.58
648.1331177	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	538.3146
Annotation	PS(19:0/0:0)
Peak:m/z	Relative Intensity
220.0165710	0.03
232.0589600	0.03
241.5648499	0.03
242.1789093	0.02
244.1092529	0.03
246.0198669	0.02
253.3462219	0.55
279.2235107	0.04
284.1589966	0.01
315.1286011	0.06
322.0462036	0.05
345.1065063	0.02
359.2200928	0.01
363.1871338	0.06
365.2000122	0.02
382.4511719	0.03
389.5806274	0.06
409.5799561	0.07
418.3600464	0.03
421.3560181	0.06
432.3870239	0.04
464.0886230	0.03
475.5732422	0.03
478.3504028	100.00
479.1309204	0.55
492.0866089	0.02
493.6408691	0.12
501.6826782	0.11
502.3108521	0.02
507.5772095	0.03
519.6505127	0.16
520.3715210	0.02
521.1287231	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	296.88
Annotation	Unknow
Peak:m/z	Relative Intensity
125.1232224	0.06
128.8731995	100.00
161.1737671	0.28
174.0580750	0.08
193.1869812	0.10
194.7076569	0.07
208.9903870	0.12
212.8389282	41.27
225.1814575	0.05
230.3125000	0.21
253.2980042	0.03
278.9777222	0.03
282.5252075	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2417
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
74.10855103	0.16
90.82408905	0.16
94.87368011	0.48
96.8347702	0.06
99.02110291	0.43
100.0966949	0.33
109.0786896	0.09
111.026001	0.28
113.063118	0.37
115.0835876	0.08
121.2358551	0.45
123.0636749	0.96
125.0492325	0.84
127.0478287	0.07
128.8832245	1.08
130.0546875	0.11
130.8513184	1.52
132.8528442	0.22
134.8858032	0.67
136.9572754	0.16
138.9918823	1.41
143.1689148	0.15
149.0473633	0.87
150.4335022	0.38
151.0455322	0.41
153.0703888	0.33
155.3026733	0.30
156.0199585	0.42
156.964447	0.68
161.0524902	0.20
163.1250305	0.13
165.1590881	0.48
169.0625916	0.85
171.049057	0.41
175.1439209	0.09
177.0189209	0.77
179.147934	0.84
180.9437866	0.29
183.0271912	1.76
185.1125488	0.37
187.0115051	0.12
189.2447052	0.13
191.1570282	0.86
193.124939	0.48
195.1964874	1.42
197.0653534	4.82
199.1722107	0.97
202.7120056	0.13
205.2589722	0.29
207.1972351	0.50
207.9485168	0.21
211.0961609	3.64
213.2485962	0.95
215.1971741	0.19
217.2110901	0.69
219.0593567	0.68
219.8927917	0.21
221.1495361	3.13
223.2729492	0.52
225.3450928	0.66
227.1314087	1.57
229.0884094	0.31
233.3714905	1.36
235.2985535	0.78
237.1258545	3.16
239.1953125	8.59
241.1809998	0.87
243.2047424	2.32
248.2311096	0.08
251.2104187	2.70
253.1608276	2.37
255.1939697	0.85
257.2421265	0.09
261.069397	5.27
261.8034058	0.28
267.8016968	0.32
269.3555603	0.44
277.5980225	0.09
279.2324219	100.00
280.2429199	0.67
281.1818237	1.00
288.5960693	1.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	736.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
213.8215637	0.07
215.4996948	0.11
226.2010193	0.19
232.1189423	0.07
254.1902924	0.07
256.3542480	0.08
258.2404175	0.07
273.9627380	1.50
275.2457886	0.34
292.0874634	0.50
300.1798706	0.14
304.2279358	0.22
306.1827393	0.09
322.1267700	0.03
332.7107544	0.14
334.1078186	0.09
334.9819031	0.55
352.2394409	0.35
374.1231689	0.21
384.1356201	0.03
393.1882935	0.20
394.2322998	2.88
395.1676636	1.07
396.1671143	0.15
403.9321899	0.11
410.1495972	0.09
412.2120972	3.27
426.5740967	0.06
436.5535889	0.03
452.1518555	1.03
454.1298218	100.00
466.2527466	1.18
484.2324219	1.99
495.4104614	0.08
496.3440552	0.34
506.8391724	0.07
508.2528687	1.47
514.1925049	3.70
525.2931519	0.17
526.2663574	0.24
535.2238770	0.03
538.1984863	0.53
552.0679932	0.06
554.4522705	0.06
556.1919556	36.82
556.8364868	0.08
569.9841919	0.13
572.2610474	0.05
574.2024536	67.46
603.2350464	0.10
646.3142700	0.09
657.7860107	0.08
663.4059448	0.05
675.5738525	0.57
689.9334106	0.02
706.3300171	0.20
717.4815063	0.18
718.1411743	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.18
Annotation	Unknow
Peak:m/z	Relative Intensity
100.9433212	0.41
106.5973053	0.11
113.0271149	0.95
116.9856262	0.31
118.1821136	0.06
119.0241394	0.64
124.9126434	0.49
130.0495605	0.10
130.8813782	0.60
138.0762634	0.13
143.0304413	1.96
145.1150360	0.10
147.0820618	0.10
148.9570312	0.12
155.1056824	0.13
156.1175232	0.16
160.9072876	1.35
168.8545837	0.31
170.6918945	0.17
178.9494476	7.10
183.1041565	1.73
184.0885010	0.87
185.3002472	0.92
185.9391937	0.89
186.9427490	0.08
196.9013824	0.05
198.3860016	0.71
199.0255432	3.02
200.0215912	3.94
201.1235046	0.53
205.0841675	0.24
211.0912476	0.27
213.0393982	100.00
214.0238953	36.40
215.1087646	2.51
223.3353271	0.15
226.2808228	0.22
227.1675110	3.08
228.0581970	5.60
229.0806274	0.17
231.1286926	0.13
235.4900513	0.23
238.8848267	0.07
241.1087036	1.31
242.0910339	0.97
243.2496338	0.29
245.1317749	0.15
247.2879028	0.16
251.3715820	0.03
254.2478027	0.70
255.2751465	1.05
256.2473755	0.27
257.1818848	0.48
259.2138062	0.14
260.2689514	0.31
261.2563477	3.80
262.3034058	0.17
267.1299744	0.14
268.9205933	0.77
269.6051636	0.80
270.2101135	0.30
270.9671021	0.08
272.3881836	0.08
273.3712158	0.09
275.5406494	0.22
276.4120178	0.61
277.3531494	0.98
278.5598145	0.53
279.2182007	1.01
281.3294678	0.51
283.2192383	2.28
284.1047363	0.21
285.0597534	0.09
295.4143982	1.49
296.2776489	0.66
297.2476807	2.99
298.4822083	0.17
300.3430481	0.60
301.0210571	0.11
305.3048706	0.73
309.5443420	0.05
311.3921204	0.42
312.2402954	0.08
313.3193359	1.28
320.9540710	0.10
322.2888794	3.63
323.3402710	9.12
324.3357544	0.39
325.2478638	1.19
326.2419128	0.15
340.3513184	0.18
341.3034668	3.52
342.4513245	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
85.02932739	0.25
95.05244446	0.50
97.10005188	0.24
98.95827484	0.24
108.8078461	0.62
111.0643616	0.32
119.2426071	0.17
121.0933762	1.13
123.0616684	0.20
124.8802643	0.95
126.145813	0.21
127.0520935	0.06
133.0265656	0.43
134.9051514	0.10
137.1610413	0.56
138.9136353	1.88
140.8201599	0.09
142.8629456	0.56
148.9741211	0.36
150.3027954	0.12
153.1541138	1.03
154.476532	0.18
155.1607971	0.29
156.9440002	0.36
162.8989716	0.68
167.0176544	0.09
169.1432648	0.66
171.1890564	0.33
175.0770874	0.42
177.2286072	0.16
179.177475	0.41
181.2571564	0.14
182.9121094	1.34
185.3094025	0.41
191.0105743	0.13
193.0503693	0.85
195.2346497	0.64
196.5315552	1.00
197.1664734	6.50
199.238739	0.70
201.1282043	0.18
203.244873	1.44
207.1622925	0.50
208.9207153	0.90
211.0992432	1.74
212.9154663	0.05
217.2076721	0.12
219.006897	0.38
221.1495667	2.54
222.1455994	0.14
225.2294312	0.31
227.1329956	0.26
231.4126282	0.28
233.2128906	0.30
235.2702332	0.06
237.3335876	2.96
239.0940552	13.89
239.7479858	0.30
241.2392578	0.77
242.7828369	0.23
243.4380493	0.28
251.0912476	0.76
253.276062	0.89
255.0817566	0.88
255.9150391	0.05
257.2227478	0.70
261.3469238	2.24
269.1240234	0.68
279.2290039	100.00
280.2489014	0.47
280.9309082	0.08
297.1490173	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	229.18
Annotation	Sarmentol A
Peak:m/z	Relative Intensity
86.79067993	0.82
92.74624634	8.22
99.08746338	3.21
130.0267639	1.87
131.0072021	4.41
135.1716919	1.35
139.0915222	4.29
145.0596313	0.71
154.998642	3.22
157.0092163	1.67
167.2381287	8.65
169.3277893	1.70
172.1770782	1.67
173.2151642	1.21
181.2702484	4.56
183.1733704	100.00
185.1476898	24.90
187.1122589	2.96
192.9958649	8.64
199.0280609	9.22
200.0830078	5.44
201.3129883	7.14
202.2138977	1.12
208.9594116	11.27
211.1732788	93.62
213.0289764	13.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.1104202	0.67
109.033783	1.12
116.8633499	0.46
120.9512939	0.50
122.9904327	0.27
125.1813736	0.06
126.9328613	0.31
130.9596558	0.52
133.1373291	0.43
135.1037903	3.99
136.5605164	0.54
137.215744	0.09
139.221756	0.08
142.9878845	0.37
145.036377	0.09
146.945816	1.50
148.9965973	1.44
151.3987885	0.32
154.7930603	0.28
157.0268097	1.12
159.0288696	1.69
161.0262756	1.21
162.9659729	0.86
165.1824341	0.21
166.8514709	0.20
169.1687012	0.71
170.7985229	0.08
172.9383392	1.00
175.0680237	0.82
179.1582947	0.12
180.6525879	0.53
183.0232239	0.55
185.2257996	0.15
187.1239777	1.29
189.0305023	1.45
191.2425079	0.47
197.0204773	0.20
201.3299713	0.87
203.2053986	0.22
205.153595	0.47
206.9900665	0.53
209.1023865	0.82
211.1132812	2.29
213.0570068	0.09
217.0865173	1.34
219.5177002	0.06
220.7490845	0.22
221.3909912	0.06
223.138031	0.25
225.0550232	0.06
230.9394226	1.68
235.2145081	0.37
239.3010864	0.18
242.5119019	0.80
243.2274475	0.34
245.2609558	1.84
247.2867737	5.64
249.3143311	0.09
251.3923035	1.12
253.227356	0.45
257.0264893	0.60
259.101532	0.41
265.5971069	0.06
268.1963501	0.54
269.0990601	0.30
271.1334229	0.41
275.3228149	0.56
277.0849609	0.31
279.3838196	0.46
281.2828674	1.62
282.9861755	0.93
284.040741	0.29
284.9306641	0.47
286.2015381	0.09
287.3304443	0.54
295.084198	2.20
297.0405579	0.49
299.2579956	2.23
305.2692871	2.75
306.1359253	0.21
310.471283	0.11
311.3277588	0.46
313.3595581	0.93
323.2478333	100.00
324.3680725	0.08
325.3945923	0.20
331.2177429	0.26
341.109375	2.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
94.90248108	0.30
96.99427795	0.20
103.1316299	0.36
106.6368561	0.11
109.1728516	0.27
110.7249756	0.09
113.1748276	0.42
115.0562592	0.14
123.0757446	0.72
124.7689972	0.19
127.2292404	0.12
129.1173096	0.07
133.1094666	0.09
135.10849	0.24
137.0926971	0.49
139.1013489	3.14
140.3318176	0.07
141.1441803	0.69
142.9916077	0.22
149.2261963	0.35
151.1320343	0.73
152.886673	0.96
154.9518433	0.17
156.9551544	0.43
163.3147583	0.71
167.3171082	0.15
169.030777	0.51
170.8173828	0.23
171.4423676	0.13
173.6459503	0.28
175.273819	0.55
176.8543396	0.21
181.1949615	0.08
182.8453522	0.99
185.2889099	0.30
188.8224487	0.25
195.1255493	0.51
197.0745544	4.24
199.0205078	0.82
201.0655823	0.48
203.1377869	1.46
205.3840942	0.23
208.9890747	0.20
211.0824585	1.40
213.292511	0.49
215.0057068	0.08
217.141449	0.33
219.1169739	0.31
221.037384	2.11
223.2781982	0.52
225.1836243	0.55
226.9353333	0.12
233.0018616	0.58
235.2618408	0.14
237.2504578	2.36
238.5963135	1.24
239.218689	10.08
243.2233276	1.82
249.5029602	0.09
251.1294556	1.12
252.2951355	0.05
253.2515259	0.72
254.7783813	0.26
255.4656372	1.98
256.3049927	0.19
257.0223389	0.91
261.237915	3.42
264.9356995	0.12
269.3727417	0.30
270.1101074	0.05
270.8635254	0.07
279.2307739	100.00
280.1911011	0.19
281.3091125	0.26
293.3612671	0.38
296.9813232	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2628
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
80.92001343	1.52
83.03659058	0.53
85.01348877	0.28
89.07650757	0.50
91.04170227	0.25
92.81903839	1.12
95.04482269	4.15
96.93745422	3.15
99.09825134	0.21
100.9048462	2.68
106.9668274	1.91
109.0280685	3.49
110.8887634	1.44
114.9965973	2.20
116.9476776	0.26
121.0988922	5.12
123.0880737	2.32
124.8261414	1.29
127.1334229	0.18
129.1652222	1.00
133.0109558	0.84
134.9831238	6.88
137.1622314	1.94
141.1170959	0.58
143.0003052	0.90
145.0741882	0.45
147.0235901	1.08
149.0652771	4.25
150.5116119	1.53
151.1239929	5.12
153.0207367	1.18
154.8710632	1.01
159.412262	0.19
163.0655823	6.18
165.0847321	3.61
166.9302521	0.24
169.0519104	3.81
170.4465637	0.99
171.072052	1.18
173.2498779	0.28
177.1435242	4.84
178.9296875	0.68
183.0076141	1.69
184.0172729	0.23
185.1108551	0.77
188.9365845	0.31
191.2224884	0.85
192.9686279	0.12
195.1282349	2.07
197.2697144	1.48
199.2749634	0.48
201.0640564	0.37
203.0621948	0.44
204.9785461	2.25
206.8821106	1.48
207.5632019	0.35
208.8665771	1.75
210.8483582	1.29
213.1882629	1.52
220.2809448	0.74
221.0331116	0.65
225.0668945	17.63
225.9262085	0.21
227.1182861	5.49
233.2548523	1.11
235.8226624	0.42
237.2044373	0.65
239.1949463	5.88
240.0493164	0.46
241.2915649	2.22
242.0404053	0.45
243.292511	0.35
245.168396	0.48
247.2686157	41.61
251.3342285	0.59
253.0674133	0.47
255.2874146	0.54
256.7541504	0.99
265.2428284	100.00
266.0504456	0.21
274.180542	1.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	322.11
Annotation	S-Methyl GSH
Peak:m/z	Relative Intensity
112.8190842	0.06
119.7801056	0.04
122.1387939	0.19
127.8071594	0.11
129.9217834	4.11
132.0285339	0.08
142.0938873	0.05
144.0274353	0.23
147.1434326	0.03
148.2162476	0.02
156.9860840	0.08
157.9190063	0.86
161.0279388	0.16
162.0409393	0.09
164.1725311	0.20
170.7449951	0.14
175.9518433	38.37
179.0298157	0.61
181.9001160	0.13
189.0129089	0.28
192.9806824	100.00
193.7849426	0.04
198.0752563	0.13
199.2765656	0.32
200.1367493	0.05
200.9311523	0.05
201.9856567	0.19
203.0555878	0.04
205.8747559	0.03
209.2111816	0.03
214.3102112	0.05
215.2043762	0.08
218.4036255	0.11
219.0522461	0.30
229.0299988	0.53
232.0122986	0.71
233.0098572	3.65
235.2199097	0.03
244.0592041	0.03
247.0818481	6.72
256.2526550	0.04
258.9687500	0.72
260.1083984	2.02
265.9476624	0.04
267.2647705	0.02
268.0310059	0.09
270.2954407	0.08
274.2086182	0.05
275.1904297	0.04
276.1652832	0.44
278.0083008	3.65
280.9549561	0.08
284.0872803	0.13
286.1824036	1.33
286.9583740	0.03
288.1870728	0.17
292.4446106	0.02
294.0523071	0.15
303.3799438	1.14
304.1201782	8.20
305.1517944	0.54
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
131.1799622	0.90
150.9950256	1.50
162.9178772	2.67
182.1533203	1.98
192.0062561	2.08
224.1279602	8.08
236.2424011	1.79
238.1422729	2.81
239.1004639	10.30
240.0197754	2.04
243.3853455	2.73
247.2447205	4.99
255.1350098	4.37
258.2430115	1.98
264.5189209	4.48
273.1825867	4.89
275.2220764	1.42
280.2488098	1.48
281.493042	8.47
284.3169556	3.06
286.0560913	2.58
296.2393494	9.45
301.291687	10.11
305.2792969	3.19
312.37146	1.96
314.1359863	2.16
318.472229	4.12
322.1810913	6.82
327.210907	0.99
329.1131592	6.09
332.3161316	7.67
336.2333374	2.71
337.347168	11.81
339.5802307	1.37
342.2923279	2.34
347.3557739	3.14
348.2553406	2.65
351.3076172	2.56
353.5918579	3.23
356.036377	2.81
357.0048828	9.21
359.2531128	2.36
362.2575989	3.91
365.8879089	14.39
366.8641052	3.96
370.0065002	2.46
378.6339111	6.45
379.6244202	1.85
382.3164368	5.21
383.5299377	2.52
384.4362793	2.95
386.5909119	12.06
390.7770996	14.60
391.3920593	4.58
395.2277832	13.15
396.4226379	1.79
398.4467163	3.25
402.9117126	5.15
407.6308899	54.95
408.2851562	100.00
409.4151917	11.78
411.2789612	4.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	621.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
301.0812073	0.03
469.2687988	9.81
470.3081665	0.10
536.2174683	0.07
545.2410889	100.00
546.1063843	0.18
546.7187500	0.03
769.5451050	0.05
772.6116333	0.01
921.1909790	0.03
940.4057617	0.09
941.1430054	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.278
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
152.8536682	0.10
169.2747803	0.10
179.7693481	0.61
196.072876	1.27
202.7952881	0.35
208.0753174	0.24
214.1582642	0.95
227.0123901	0.40
239.229126	0.09
241.183609	0.58
245.1514587	0.57
251.7851562	0.30
264.269165	0.20
279.2409058	100.00
279.868103	0.32
301.8445129	0.56
317.2703552	0.15
335.4013062	0.18
337.0799866	0.09
342.1746826	0.23
369.3295898	0.70
376.3266907	0.19
383.9903259	0.30
386.2353821	0.28
388.3495483	0.66
397.3676758	1.01
403.4931335	0.62
412.4530334	0.30
413.504425	0.70
414.3535767	0.21
415.2673645	0.95
429.7900391	1.53
430.4376526	1.71
431.3174744	0.28
432.394043	1.52
433.6042175	0.35
448.3600159	0.35
452.5881042	0.29
454.1695557	1.15
457.6576843	1.12
458.2671204	1.94
461.0792542	0.67
477.3821411	0.37
519.178833	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.1606
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
120.6905746	0.09
122.830101	0.03
125.2339554	0.05
137.2388763	0.07
138.1713715	0.01
143.1846924	0.03
161.0858917	0.15
162.9537964	0.06
176.9479065	0.04
179.1631775	0.19
180.0415802	0.01
181.15625	0.34
195.2124329	0.02
197.1720276	14.14
198.1322784	3.59
204.4645844	0.01
213.4035492	0.06
220.1642609	0.02
221.342514	0.03
223.1156769	0.15
224.134964	0.22
225.3437958	0.07
239.427063	0.02
241.1146851	100.00
242.1752319	22.57
243.2609558	0.05
247.2143555	0.03
251.1018066	0.04
261.3622437	0.07
263.1058044	0.11
264.9528503	0.17
266.2371826	0.01
267.139679	0.07
268.2210083	0.02
270.3546143	0.05
280.4188843	0.03
283.1960449	0.80
284.0844116	0.17
285.0571899	0.20
288.0073853	0.11
295.4512939	0.01
296.506958	0.02
299.1652222	0.01
301.8768311	0.03
303.9737549	0.01
308.5115051	0.03
312.9804688	0.84
314.1763916	0.50
316.1830444	0.14
323.0085449	0.03
332.7367249	0.04
338.3504333	0.05
341.0839233	0.28
343.1460571	1.48
344.1003418	0.70
345.3987427	0.04
357.117981	0.03
358.943573	0.04
359.5516968	0.01
360.5277405	0.04
366.0207214	0.06
367.2087097	0.07
368.1200562	0.03
383.1183167	0.06
385.1836548	0.70
385.990448	0.27
387.2223206	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2628
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
81.06843567	0.35
82.23753357	1.08
82.99299622	0.44
88.77862549	0.50
95.01992798	5.30
97.02615356	1.05
98.84537506	0.31
100.9680176	4.55
107.0265579	1.12
109.0018005	3.70
111.0507812	1.93
121.0990601	1.37
122.9664459	3.39
125.2296524	0.83
129.0658722	0.35
133.0054626	5.14
135.0661621	4.25
136.8489685	0.38
138.9205322	2.08
140.8120422	0.66
142.8883667	0.62
149.0740356	3.98
151.0484009	2.39
153.190979	1.66
155.1311035	0.83
155.9177704	0.39
157.0920105	0.90
159.0756683	0.18
160.8050995	0.39
163.146225	1.05
165.1984711	5.00
167.2579956	0.71
169.0752258	4.77
171.1607361	0.56
175.2765808	0.54
177.0360107	5.77
179.0619202	0.63
180.0449524	0.22
181.0622101	0.40
183.1621246	1.00
184.8756561	2.91
187.1459045	0.79
189.2643738	0.44
191.247879	2.22
192.8125	0.55
195.1177063	0.36
197.1202698	0.65
198.1105652	0.27
199.2046204	0.14
205.2857056	0.89
207.0550232	1.63
211.1009521	2.07
213.4110107	0.27
215.1333008	0.67
219.0691528	1.28
221.0793762	0.11
223.0415344	2.88
224.111145	0.66
225.0913696	5.13
226.9652405	0.19
229.1760559	0.40
235.9241333	0.32
237.1193848	2.27
237.8564453	0.41
239.0712891	3.96
241.0685425	1.75
241.9418945	0.23
245.1907959	1.63
247.1804199	45.72
250.8599854	1.29
255.1891785	1.12
256.8947144	0.12
259.9188538	0.81
263.0772705	0.67
265.2599487	100.00
266.2791138	0.47
267.0618896	0.61
272.1337891	0.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.1686
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
92.98330688	0.08
96.91447449	3.15
97.87200165	0.29
98.92559814	1.80
109.0197678	0.10
111.1631622	0.15
118.9254913	0.16
128.1270905	0.40
129.2969971	0.46
132.920105	0.28
139.1334991	0.16
141.0674591	0.29
142.853363	0.17
156.0429688	0.31
170.0392609	6.47
171.083252	0.11
176.2190247	0.19
183.0087738	100.00
184.03479	22.42
185.0632629	1.21
191.0363464	0.11
197.032074	22.47
198.1221466	10.21
199.3022766	0.60
206.8710327	0.22
210.2256775	0.14
211.2005615	2.64
212.1703796	4.19
213.0811462	0.13
214.1886902	0.13
221.21698	0.29
223.0227051	0.78
224.8475647	1.18
226.0343628	0.89
227.2168579	0.99
235.098877	0.20
236.9665527	0.44
238.3269653	0.44
239.2963562	7.93
240.274292	1.06
241.0076599	0.16
243.1118164	0.97
245.3240662	0.36
247.2041626	8.21
248.6488647	1.32
249.4345703	4.29
251.3677673	0.64
253.2554626	2.44
254.9577026	0.51
265.0408936	1.81
265.8684692	0.41
267.3612061	9.26
268.1785583	0.59
269.1363525	0.31
275.1802368	0.17
279.4440613	0.08
282.1450195	0.08
282.9956055	0.12
292.3051758	1.14
293.2773438	14.78
294.2728577	0.06
295.2876282	0.69
296.1009521	0.57
311.3081055	14.52
312.3894043	1.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	662.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
301.9372253	0.05
360.1240234	0.06
369.2933350	0.04
456.5660400	0.04
464.4260254	0.02
469.0719604	0.22
487.1451416	0.12
491.5729370	0.03
493.2344971	0.11
531.3252563	0.09
533.6362915	0.04
541.4093628	0.19
543.9943237	0.03
557.3936157	0.18
566.2968750	0.02
568.3357544	0.06
576.5530396	0.84
580.3764038	0.07
586.7171021	0.46
589.9702759	0.03
601.3886108	0.02
607.6351929	0.14
611.5316772	0.44
615.8605347	0.10
616.6675415	0.05
618.3897095	100.00
619.0159302	0.62
626.3715210	0.07
627.1254272	0.02
634.1094971	0.06
638.8776245	0.01
644.0410767	0.10
646.7835083	0.04
652.7860718	0.13
663.4722290	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	729.1451
Annotation	3-O-Galloylcatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
205.3312073	0.23
213.3094330	0.21
230.2933960	0.28
243.2090149	0.80
245.2261353	2.86
246.2498169	0.33
253.1968079	1.83
254.3519592	0.19
256.1309814	0.17
257.2821655	0.35
259.0276184	0.08
268.2825012	0.26
269.2926636	0.75
271.1539917	3.35
272.2279968	0.72
273.1482849	0.29
275.2212219	0.18
276.0284424	0.25
283.2559204	0.61
285.2575378	0.64
287.1903076	3.00
289.1421204	19.76
290.2557373	5.35
294.2105713	0.20
297.0042725	0.39
298.0746460	0.61
299.2002869	4.22
300.0993652	0.71
301.0791016	0.33
303.0925598	0.71
304.1422119	0.16
312.9234619	0.08
321.1439819	0.19
322.2073975	0.07
323.2618713	0.25
324.3330383	0.16
325.1238403	0.10
330.3170166	0.25
331.2144775	0.90
332.1175537	0.20
336.2184448	0.12
353.0839844	0.25
358.1046753	0.15
363.2178345	0.15
371.3286743	1.13
372.2944336	0.18
374.2562866	0.34
381.2425537	1.37
382.2827759	0.72
386.2572632	0.06
389.2009888	4.43
390.3424683	0.78
397.4620972	0.89
398.2475586	0.12
405.2727051	0.52
405.9741211	0.22
407.2009888	100.00
408.2670898	26.13
409.5379028	0.85
415.4385376	0.14
416.1865845	0.21
420.2120361	0.13
423.2635498	0.33
424.1938477	0.30
425.1757812	6.71
426.2783203	2.19
431.4322510	0.14
433.2535400	6.91
434.2363281	1.39
435.1716309	0.43
437.4342651	0.16
438.1047363	0.18
439.2947998	1.07
441.1802979	47.45
442.2361450	11.40
445.2957153	0.25
447.2524414	0.15
449.1884155	0.22
451.2145386	49.65
452.2770996	12.33
453.0966797	0.37
456.3626099	0.21
462.5941162	0.28
466.1876831	0.38
467.1739502	1.05
468.0795898	0.37
468.7384644	0.17
475.4271851	0.50
478.7246094	0.06
484.2614136	0.15
491.1385498	0.22
493.1784058	0.49
513.1070557	0.13
515.3069458	2.34
516.4252930	0.44
517.3173218	0.15
518.1822510	0.12
531.3185425	0.10
533.1994019	2.45
534.2695923	1.12
536.5288696	0.11
541.2611084	11.16
542.2785034	2.16
543.3953247	0.27
546.3798218	0.15
557.3446045	0.60
559.0949097	69.78
560.1536865	21.60
561.1674194	1.73
562.3980713	0.08
563.2913818	0.34
567.5711060	0.37
575.4508057	0.78
577.1647339	79.36
578.2245483	29.33
584.0424194	0.07
584.9595947	0.41
586.4888306	0.32
590.3259277	0.15
594.1550903	0.33
599.3176270	0.07
601.3637695	1.14
603.1643677	54.71
604.2787476	17.51
611.3350830	0.13
619.3486938	2.34
620.1524658	0.30
627.2096558	0.25
633.1659546	0.59
644.7671509	1.62
645.4342041	0.21
649.1242676	0.11
652.6422729	0.23
653.6838379	0.50
655.4774780	0.42
667.3831787	0.24
668.2713013	0.13
670.2539062	0.10
671.3240356	0.43
681.3959961	0.16
681.9992065	0.39
684.1528320	0.57
685.3959351	1.66
686.4631348	0.35
692.3388672	0.14
693.4777222	0.44
698.3455811	0.30
709.0207520	0.50
711.1762085	22.17
712.2250977	6.74
713.3698120	0.08
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
141.0018005	12.11
153.0290527	2.57
157.0569611	3.12
159.8638611	5.01
173.1288605	4.56
176.8151245	4.45
211.361084	2.45
216.9854126	5.93
218.8478699	2.82
221.1991272	2.13
228.0093079	2.05
229.9046478	3.36
237.2013245	1.56
241.4644775	2.37
248.043335	3.34
251.0770264	2.80
253.1567993	11.66
260.9446106	1.57
262.1026611	2.48
265.1629028	24.83
267.2076416	3.34
272.0119629	2.15
281.5956421	8.84
292.2599487	4.39
293.6437988	6.90
295.3223877	1.35
299.3255615	6.10
308.7962036	7.44
313.5627441	2.60
314.5517883	1.50
316.3862915	5.33
326.1293335	3.56
327.166687	3.91
328.3168335	7.44
332.4438782	6.78
336.4911194	11.08
339.0075684	4.90
341.0771484	9.64
348.4362793	7.39
353.1433105	3.85
359.0068359	19.82
360.2893066	6.10
362.3990784	6.41
365.4572449	11.89
366.5857849	8.12
372.3995056	3.08
378.3460083	1.91
379.0538635	4.48
380.2536316	27.84
381.2063599	17.94
381.9458313	2.92
383.2224731	11.41
385.4743347	7.92
389.5137024	8.14
390.688385	11.46
394.3968506	2.40
396.1605225	9.34
397.434845	4.61
398.2486877	4.01
399.0849915	3.68
403.0092773	6.46
407.3097839	35.59
408.2781677	100.00
408.9338989	24.45
410.2523499	9.11
425.617157	6.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.01255798	0.04
103.0432587	0.04
105.0025558	0.44
107.160553	1.04
108.9651947	0.33
110.8516006	0.69
116.8798676	0.37
120.9440765	2.30
123.1005783	1.06
125.1101074	0.47
131.0997772	0.36
132.2338409	0.20
132.9489136	0.47
135.0688629	2.35
137.0456543	0.32
142.9829102	0.37
144.2059021	0.04
146.9366455	1.11
149.1218567	1.65
151.1577759	0.06
155.2060852	0.24
156.9944305	1.05
158.8767395	0.36
161.1116333	0.61
163.1905212	0.94
164.9811096	0.59
168.8016205	0.70
173.0203247	1.11
175.0148621	0.41
177.1394348	0.10
178.9161682	0.23
179.9081421	0.07
182.937439	2.01
187.1179504	1.40
188.8908081	0.33
191.499054	0.14
193.0673523	0.48
197.2561951	0.21
199.1527252	0.39
201.0900574	0.55
203.1799927	0.73
205.1929474	0.43
209.2734985	0.17
211.0456543	0.35
213.150177	0.32
215.0935669	0.73
217.302887	0.19
219.0924377	0.67
223.2237549	1.06
225.1910706	0.22
226.1737976	0.08
227.4283142	0.10
229.1861572	0.65
230.2802734	0.27
231.1941833	0.81
233.0865784	0.24
235.2029419	0.74
237.0170593	0.35
241.3413696	0.39
243.3676453	0.61
245.1925354	2.64
247.2862549	8.05
250.0582886	0.10
250.9631653	0.16
253.3744202	0.33
255.4117737	0.10
257.3827515	0.28
259.2290039	1.38
261.2559814	0.09
265.6319885	0.05
267.2641602	0.17
273.468811	0.29
277.1002197	0.08
280.23172	0.14
281.4544373	0.34
283.2702637	0.18
285.1561279	0.60
287.2788696	0.29
290.2479248	0.09
291.9349365	0.04
294.2617188	0.42
295.2143555	0.92
296.5385742	0.77
298.8522339	1.16
299.47052	1.28
300.2624512	0.19
305.2241821	3.49
307.4432068	0.08
311.4205933	0.06
313.3927612	0.81
317.1496887	0.16
319.216156	0.14
323.2469177	100.00
323.8875732	1.06
324.9769897	0.15
326.1868896	0.63
340.6703796	0.81
341.2775574	1.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	362.13
Annotation	Unknow
Peak:m/z	Relative Intensity
118.9532623	0.13
119.8790512	0.43
121.9603577	0.10
135.9112549	0.07
137.3216553	0.11
152.2079010	0.09
161.2395630	0.21
162.8121338	0.45
164.0782776	1.20
174.9446869	0.08
178.7718048	0.08
180.9153595	0.15
195.1942596	0.09
197.1691589	15.32
199.1137543	0.06
200.0512695	0.05
202.2303162	0.08
210.2496948	0.38
213.1813660	0.10
222.9766541	0.04
227.2357178	0.68
234.9308472	0.06
241.0706787	100.00
244.6173096	0.14
245.3387756	0.10
257.2179565	0.45
264.0261230	0.04
275.0562439	2.96
276.1438293	0.24
277.0703125	0.11
286.0845337	0.28
297.1290283	0.08
299.9004822	0.11
305.1447754	0.06
315.7617188	0.32
317.0866394	0.19
318.2599182	2.41
319.2988586	0.18
326.1110229	0.30
339.0079956	0.11
343.2969666	0.25
344.1300354	0.51
353.5798645	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
109.1852798	0.13
120.9003448	1.79
123.1228485	1.69
125.0858154	0.55
132.9485168	0.77
134.9440918	0.27
142.9519958	0.08
147.1373291	0.52
149.2115784	0.41
151.1092224	2.90
157.0865479	0.96
159.1098328	0.26
161.0227966	1.08
162.9951782	0.32
165.0862274	0.57
166.9745178	0.54
169.0703125	0.87
169.9268036	0.37
171.1774445	1.14
172.8868408	1.67
175.3167419	4.47
177.1506348	0.54
180.9998169	0.36
182.1879272	0.32
183.1110535	0.38
188.8575439	1.37
191.2779236	0.51
193.1080017	0.41
194.9390106	0.68
196.1352081	0.68
197.1513062	0.41
201.0213776	2.65
205.1403961	0.24
207.2196198	0.62
209.7566528	0.68
210.9264832	0.66
215.0640869	0.83
221.1719971	2.88
222.1277771	0.27
223.3052063	3.56
225.2637634	2.03
226.9149475	1.16
231.0945435	1.97
235.0255737	0.55
237.1334229	0.37
241.2636719	0.98
243.1607666	0.48
245.2362671	2.12
247.2599182	1.98
251.1856079	0.53
259.2913818	0.18
261.1810303	0.18
267.2630005	0.51
279.1966248	0.60
283.0002441	0.68
287.2780151	1.00
294.093689	2.73
295.3213806	2.77
297.1641235	0.84
298.0870056	0.27
299.4365234	1.38
300.1034546	1.07
303.4075317	0.18
305.3951721	1.62
309.0626221	0.34
310.0839233	0.75
312.2051392	0.35
321.2097168	1.61
323.230835	100.00
324.2233887	1.57
325.0875854	1.20
333.4081421	1.69
341.355072	1.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2499
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.9626617	0.05
109.0789642	0.46
111.0877991	0.05
112.9958878	0.04
120.943718	1.14
122.7461548	0.53
130.8356323	0.70
133.0308075	0.26
135.0958405	1.43
137.2423248	0.29
143.0012817	0.95
144.8870239	0.38
149.0376282	1.21
151.1090088	0.47
155.019989	0.08
156.9598999	1.75
159.0186157	0.40
161.3077087	0.17
163.0784912	0.54
165.0917969	0.34
167.1764526	0.53
169.0586853	0.74
171.0630188	0.62
173.0685577	1.43
175.1841431	0.07
176.7822266	0.21
178.0215149	0.09
178.9347382	0.14
183.098175	1.35
184.9077606	0.40
187.1672974	2.03
189.1891937	0.33
191.176651	0.68
195.0363007	0.26
197.035965	0.82
199.0286255	0.14
200.9759216	0.46
205.2899017	0.66
206.681778	0.33
208.963501	0.39
211.0231018	1.59
213.3563843	0.07
215.2507019	0.32
223.0212708	0.64
224.2312927	0.07
225.1529846	0.50
226.8552551	0.23
229.0575867	0.19
230.790802	0.05
233.3856506	0.19
234.7904358	0.05
241.3262939	0.06
243.4045715	0.13
245.2686157	1.42
247.1163635	2.91
251.12677	0.33
253.2190857	0.29
255.3294373	0.33
257.3728027	0.49
259.1382141	1.49
261.375	0.51
263.425293	0.05
266.1983337	0.31
267.8052063	0.21
269.4426575	0.39
271.158905	0.13
277.2834473	0.21
281.0392761	0.16
282.3109741	0.05
283.2862854	0.10
285.3416748	0.40
287.3276367	0.27
295.0805969	1.91
297.0875244	0.05
299.3170166	1.55
299.9797363	0.17
304.3965454	0.22
305.355957	4.50
307.1395874	0.61
313.2641296	0.64
323.2321167	100.00
323.978363	0.59
325.3484497	0.17
326.0588989	0.07
341.3961487	0.85
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
151.9780731	0.20
157.1739044	0.11
162.0447998	0.07
163.9184570	0.07
170.0831909	0.17
182.7876740	0.16
185.7994080	0.15
188.0031738	0.39
190.4817505	0.17
198.4407196	0.09
201.4608459	0.21
204.1862793	0.19
206.1177063	2.17
207.0640259	0.27
217.3888397	0.09
220.6799622	0.08
222.0742645	0.09
223.1625519	0.30
224.2057495	5.55
225.2390137	0.68
226.8333893	0.08
229.0915833	0.19
233.3566284	0.04
236.1330566	0.13
237.1024780	0.22
243.5965271	0.05
245.3707886	0.22
251.3740540	0.11
261.3327026	0.11
262.6448059	0.42
263.2936707	0.57
264.2540283	0.21
269.3978577	0.15
271.2759094	0.23
277.1484680	0.16
280.3286743	4.04
281.3999023	0.84
292.3774719	0.15
298.3775330	5.89
299.4812317	1.31
307.8996582	0.10
311.0671997	0.21
314.2606201	0.10
316.2944946	100.00
317.3265076	41.67
317.9267578	0.22
319.4084473	0.36
322.5933533	0.72
323.3638306	0.21
326.6413269	0.16
333.1002197	0.06
335.3042908	0.08
340.3047180	2.90
341.4421997	0.72
348.6725464	0.09
354.6390686	0.07
358.3421326	5.35
359.4204102	2.64
364.5772095	0.39
365.5600281	0.06
375.2072754	2.07
377.1427917	0.18
380.3809814	0.23
382.1365662	0.27
383.4259033	0.41
386.1908569	0.05
389.1120911	0.05
391.3307190	0.12
394.3460999	1.26
406.4796448	0.22
407.2532349	0.41
408.4251099	0.05
412.3888550	0.71
413.2746277	0.08
416.4126587	0.05
417.4604187	0.33
418.9562683	0.08
420.5332947	0.29
421.5737610	0.39
424.3268738	4.07
425.3196106	1.06
431.0979919	0.04
433.6246033	0.04
436.1180725	0.10
437.9914856	0.16
442.3336182	5.45
443.3746643	3.93
451.4819946	0.06
457.9039612	0.16
460.3879089	16.96
461.4286194	7.99
462.4847717	0.53
470.2796936	0.13
475.8855286	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	502.2934
Annotation	LysoPE(0:0/20:3(8Z,11Z,14Z))
Peak:m/z	Relative Intensity
168.1275330	0.05
185.2333679	0.21
202.9707489	0.09
210.1906738	0.14
224.2770996	0.06
233.1973724	1.12
237.0795898	0.04
240.0634460	0.06
242.1739807	3.40
244.1643829	0.07
259.2639771	0.86
271.7538757	0.33
273.0302429	0.11
275.1939392	0.69
277.2964783	100.00
290.3031616	0.24
297.3765869	0.10
299.5112915	0.17
322.0364685	0.25
386.5542908	0.21
389.2763367	0.19
398.2386780	0.07
406.4551086	0.11
407.7294922	0.12
413.1114807	0.42
414.3473206	0.17
415.4808044	0.30
418.2242432	0.14
422.6605530	0.08
428.2959900	0.23
428.9989319	0.10
442.4574890	0.21
446.2453613	0.61
448.2066956	0.73
455.0307922	0.05
456.3507690	0.56
458.2741394	0.87
459.2434387	0.46
460.7570496	0.21
464.4205933	0.33
465.2591248	0.15
467.4634094	0.44
480.2498474	0.04
483.7538757	2.07
484.5775452	0.23
485.6829224	0.12
486.3901062	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.9130096	0.34
109.0298615	0.57
117.0662231	0.40
120.9219742	1.79
123.2099609	0.66
125.0597839	0.28
131.0261841	0.33
134.9637909	2.31
136.8344421	0.46
142.8165436	0.47
145.1241455	0.08
146.9853821	1.54
149.10672	2.85
150.5167542	0.16
151.1387939	0.84
153.3182678	0.09
157.1470032	0.64
159.1005554	0.22
161.0045471	0.51
162.3100891	0.53
163.1300507	0.88
164.1782837	0.15
165.1113586	0.06
167.0626526	0.62
169.0629272	0.31
171.107605	1.26
172.9031677	0.50
174.9585876	0.72
177.0775146	0.08
181.0380554	0.75
182.4631042	0.27
183.1928711	0.40
187.1599579	0.53
189.1708069	0.41
191.0364685	0.14
195.1147766	0.82
201.1394501	0.70
203.1664886	1.44
209.0675964	0.69
211.2606812	0.73
215.2064209	0.21
217.2763062	1.25
220.9338074	0.86
223.131012	1.75
225.065918	0.18
227.155365	0.21
228.1376343	0.30
231.2423706	0.53
233.0101929	0.44
235.1812744	0.25
236.7817993	0.29
241.1694946	0.86
241.849884	0.77
245.3180542	1.25
247.2009583	3.18
249.3108521	0.18
250.2059631	0.50
252.8760986	0.38
255.1817627	0.43
257.1460266	0.44
259.2380371	0.88
262.9251709	0.16
265.3589783	0.29
267.3233643	0.34
268.9075928	0.44
271.3088379	0.58
280.1271362	0.39
280.9283752	0.35
283.0095825	1.13
285.4992371	0.52
287.2884216	0.20
292.9968872	0.29
294.9731445	1.99
296.8020935	0.11
297.7171326	0.21
299.2323914	1.39
300.1375122	0.52
305.2758789	3.45
310.2749939	0.17
312.3003235	0.69
313.2890625	0.55
314.2296143	0.11
319.9874878	0.31
323.247406	100.00
329.3087769	0.75
340.4371643	0.22
341.1472473	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	331.1532
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
98.99982452	0.11
104.7878647	0.12
119.1024323	0.36
121.1881866	0.08
122.0429382	0.11
133.0772247	0.09
136.0389709	0.13
136.8699493	0.31
139.0299683	0.12
140.9888306	0.06
142.8551941	0.07
148.9824524	0.93
151.0027771	12.56
157.0751343	0.40
161.0473938	0.34
163.0062256	0.49
164.9924316	0.04
175.1098785	0.49
177.1716461	0.14
179.0597534	0.36
180.7705536	0.27
184.7694702	0.05
187.2147217	0.06
189.0865479	10.54
191.171875	0.75
193.1865387	0.13
195.9858398	0.04
198.622757	0.11
202.4111328	0.11
203.0715485	0.18
207.0940399	4.61
213.0134583	0.07
227.1767883	0.50
231.2312927	0.24
240.2427979	0.16
243.0917053	0.08
249.2486572	1.94
251.0945435	0.09
253.0080566	1.16
255.061615	1.53
257.1338196	0.14
259.2164307	0.04
260.2269897	0.10
263.3790894	0.19
267.050293	0.46
267.9111023	0.09
269.1372986	0.54
271.0548096	0.21
274.9827576	0.56
281.21521	4.02
285.2339172	11.64
287.1786499	47.56
289.3233337	0.10
293.4295654	0.05
294.7233582	0.23
296.3198853	0.10
299.2346191	0.25
301.2312622	2.04
302.9482727	0.60
304.6612854	0.08
311.8638916	0.45
313.147522	100.00
314.1069946	0.17
315.616394	0.25
316.2401123	0.36
322.1184082	0.35
329.1615601	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
112.9163437	0.48
128.1404114	0.37
129.0118713	0.22
132.0657654	0.08
134.0012054	5.67
149.0652771	1.83
151.1816101	0.19
159.9514313	4.35
162.9081116	0.07
163.9765015	0.29
167.1494446	0.53
169.0041199	0.40
173.1570587	0.14
175.0624695	39.93
177.9563751	0.07
179.020752	0.37
179.8286896	0.12
183.0254974	0.20
189.1212769	0.30
191.0122528	1.35
193.0444489	100.00
198.6854858	0.21
202.0466003	0.36
203.1578522	1.37
207.1138611	0.62
208.3678741	0.14
209.4481659	0.12
211.0306396	0.14
213.2590332	0.17
217.140625	70.94
218.2984009	0.11
221.1403809	0.26
225.381958	0.09
233.3817139	0.54
235.1869202	8.44
236.8044739	0.08
238.0818787	0.06
247.1206055	2.79
249.163208	0.28
250.1305542	0.11
257.3851624	0.22
259.2064819	1.13
261.1426392	0.15
265.1729736	6.34
275.2224121	0.35
277.1512756	0.26
279.2972412	0.08
282.58078	0.53
283.3271484	0.42
293.3103027	0.84
295.1168823	5.86
295.9775391	0.17
298.4058228	0.46
299.0123901	0.11
309.1708984	2.00
311.1365051	2.52
312.8991394	0.34
317.3522034	0.15
319.1604614	0.10
321.2953491	0.16
325.1494751	1.03
327.2263794	0.27
333.1496277	0.27
336.3512268	1.02
337.2786865	2.25
340.272644	0.24
345.3385925	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	545.0568
Annotation	dTDP-3-methyl-4-oxo-alpha-D-ribopyranose
Peak:m/z	Relative Intensity
319.0935669	0.03
319.8244019	0.01
321.2473145	0.01
459.3116455	0.02
460.1752319	0.05
469.2827148	100.00
470.2789307	2.11
471.2214355	0.12
472.5215454	0.02
474.4693604	0.07
476.8034058	0.03
478.1062012	0.01
523.4090576	0.05
535.7017822	0.07
617.2063599	0.20
618.3378906	0.04
725.8136597	0.02
769.1814575	0.15
770.3687744	0.11
789.7222900	0.03
921.2620239	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1091.1219
Annotation	dTDP-3-methyl-4-oxo-alpha-D-ribopyranose
Peak:m/z	Relative Intensity
421.1677551	0.01
473.3083191	0.01
567.3780518	0.01
582.3970337	0.01
599.3395996	0.01
607.1743164	0.03
608.4882812	0.02
617.3270264	0.19
635.2150879	0.02
669.0965576	0.01
769.1715088	0.29
770.2294922	0.14
771.2971191	0.02
771.9696655	0.03
773.4022217	0.03
787.1588135	14.17
788.2870483	0.76
919.4759521	0.01
921.0947266	0.29
927.6649170	0.01
937.2211914	0.01
939.0782471	100.00
940.1883545	3.92
987.1967773	0.04
997.6027832	0.04
1042.9744870	0.02
1043.6025390	0.01
1070.0964360	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
161.2171173	0.07
172.6023254	0.09
211.0975342	0.03
220.3386383	0.06
237.2333374	0.06
239.1929321	0.05
245.2708588	0.19
255.5060120	0.06
263.2188721	0.03
268.1568604	0.08
269.1688843	0.20
273.1043701	0.08
274.0166016	0.06
285.5172119	0.14
287.4051514	0.55
293.2083740	0.38
295.2200928	0.04
303.1852417	0.12
304.4831543	0.05
308.8878174	0.04
310.8059082	0.11
311.5014648	0.10
329.3317871	0.48
331.2286377	10.31
333.2073364	0.08
334.1864014	0.10
338.3876953	0.60
345.2870483	0.05
346.2460938	0.20
347.1886597	0.54
370.3218384	0.03
377.6088867	0.04
387.1901855	0.12
391.2342529	0.04
393.2319946	0.04
394.2511597	0.04
407.4722290	0.34
413.1807251	0.11
417.4281006	0.05
419.0186157	0.06
424.3079224	0.36
425.2246704	0.08
429.3787231	0.37
431.2268066	0.39
432.7935791	0.36
445.4449463	0.11
446.3856812	0.65
447.5232544	0.20
449.4661865	3.80
463.2001343	100.00
463.8790894	0.90
465.6140747	0.33
472.0748901	0.18
473.5536499	0.25
477.3643799	0.06
489.3059082	0.03
491.3600464	5.29
492.4209595	0.07
499.9893188	0.18
509.5139160	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	586.9048
Annotation	Unknow
Peak:m/z	Relative Intensity
202.8610840	0.11
228.9270630	0.08
273.1096191	1.66
274.0586548	0.42
358.9369507	0.08
360.2779541	0.20
386.7534790	0.28
402.9756470	0.53
404.0476074	0.34
405.1159668	0.13
427.1387329	2.35
428.1073608	2.66
456.4226074	0.05
471.1036987	0.67
473.0310669	2.59
473.9594116	1.37
474.5996704	0.04
485.0046997	0.25
488.5469360	0.17
499.9871216	0.13
504.0747681	0.12
510.9129028	0.12
513.3878784	0.20
518.3718872	0.13
519.5497437	0.14
529.0177612	0.27
530.1320190	0.34
540.8898315	100.00
541.8836060	60.32
542.9520874	0.59
543.8255005	0.23
546.4458008	0.37
547.7133789	0.11
558.5629272	0.17
569.1896973	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	643.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
216.9768066	0.58
223.2405396	0.07
299.1895752	0.07
301.2432251	0.18
303.1483154	11.17
321.0786438	7.44
321.6831055	0.05
339.3864746	0.07
348.0830078	0.14
361.2363892	0.06
363.1783447	0.05
381.2335205	0.93
409.1325073	0.03
419.4224243	0.09
423.4188843	0.09
431.1860962	0.11
436.6502686	0.31
437.2597046	2.81
439.5598755	0.03
443.3498535	0.06
446.9926147	0.14
467.2436523	0.25
471.6494751	0.21
479.1569214	25.19
485.2289429	0.09
495.2290649	0.38
497.3159180	10.06
515.2562256	0.06
521.3967896	0.16
534.9056396	0.04
539.2271729	34.69
539.8852539	0.21
550.1522827	0.08
551.1829224	0.08
570.0033569	0.07
581.1390991	0.32
596.6503296	0.19
599.1712036	0.04
625.1973267	100.00
625.8532715	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	807.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
290.5689392	0.19
381.3571167	0.52
478.9609985	0.18
494.1178589	0.67
504.2419434	0.34
543.1111450	0.47
565.0116577	0.16
604.8526611	0.30
615.3989258	1.29
626.9676514	1.19
635.2044067	0.39
643.5081177	0.14
664.5968628	0.32
666.1978760	0.86
675.2354736	12.52
676.2266235	1.57
687.3410034	7.59
701.3831177	0.19
717.3067017	12.61
718.3635864	2.39
722.8173218	0.23
744.7638550	2.06
747.3014526	100.00
748.4044189	6.01
761.0178833	0.12
776.9192505	0.06
789.4266968	1.41
807.5097656	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	539.138
Annotation	Unknow
Peak:m/z	Relative Intensity
160.6521912	0.03
161.2892761	0.04
179.0151520	0.30
194.9689789	0.06
196.0218506	0.11
197.2788086	0.05
215.1067963	0.08
221.1424866	0.03
233.0588531	0.36
263.0994873	0.04
269.2108765	0.06
281.1181641	0.02
283.4288330	0.07
323.1948853	2.36
341.2521362	1.19
345.1757812	0.02
355.1615601	0.23
359.2249756	1.35
377.2451782	0.57
383.3161011	0.20
424.8982544	0.04
441.1258545	0.14
442.7012939	0.31
456.7230835	0.20
503.2234497	100.00
503.8644409	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	687.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
190.9970703	0.50
216.9552612	0.04
304.3118896	0.03
305.2379150	0.02
339.3403320	0.10
341.2937622	0.20
343.0705872	100.00
344.2140198	3.51
345.2341919	0.22
357.1340332	0.10
363.0924072	0.19
364.4433594	0.28
383.3007202	0.03
386.5147095	0.03
403.3382568	0.13
408.9559937	0.04
419.2077026	0.22
442.9348145	0.05
478.6688232	0.16
480.3681030	0.15
498.1471558	0.05
506.3624878	0.10
517.2431030	0.98
524.3292847	0.35
525.2023926	0.42
527.1416626	0.07
534.8779907	0.06
537.4321899	0.06
540.4752808	0.20
541.1157227	0.14
548.2348022	0.09
549.1339722	0.07
550.9199219	0.03
565.4710083	0.53
566.0772705	0.13
600.3286133	0.06
613.5162354	0.09
624.0970459	0.14
626.0552979	0.64
626.8474731	0.54
641.2872314	0.24
643.1721802	0.11
667.1510010	0.08
668.2013550	0.57
669.1342163	0.33
670.1171265	0.04
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
96.9858093	0.16
101.0119171	6.10
106.8746490	0.28
112.9887848	17.12
115.0434952	0.29
118.8720551	15.76
124.9935608	1.21
130.9388123	4.57
140.9248657	0.42
143.0379486	20.55
148.9960938	3.79
161.0548706	18.75
167.0963898	0.40
178.9185333	100.00
214.7521667	0.59
221.3044739	0.35
250.9244080	0.23
280.9263000	2.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0196
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
66.9155579	0.09
84.8695526	0.47
87.0056152	1.21
101.0244141	0.09
110.9019012	100.00
128.9790039	2.12
130.9195404	0.80
146.9716644	0.20
154.9387665	0.45
172.9862518	20.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	736.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
214.9772949	0.02
226.0675507	0.09
231.6010132	0.22
239.0424194	0.07
256.0421753	0.23
257.9720764	0.04
272.9440613	0.21
274.0608521	2.12
274.9505005	0.32
286.3002319	0.03
291.9353943	0.58
304.0427246	0.33
333.9218750	0.35
335.1085815	0.11
341.1082764	0.11
352.0933228	0.05
364.1074829	0.16
374.3327637	0.05
374.9689941	0.03
376.0491943	0.23
385.0136719	0.04
393.0997314	0.24
394.1855469	1.77
395.1047363	1.74
396.3037720	0.13
410.3102417	0.14
412.1777344	2.24
413.2573242	0.17
436.1648560	0.11
452.3318481	0.32
453.1157227	0.61
454.1268311	100.00
454.7636108	0.10
466.2183228	1.40
468.3004761	0.06
471.4876099	0.24
482.2727661	0.05
484.0767822	2.56
485.1682739	0.10
496.2702026	0.45
508.2535400	0.95
511.4241333	0.06
512.1983643	0.11
513.1475830	0.61
514.1517334	4.96
520.0283203	0.12
526.1812744	0.23
537.1261597	0.02
538.2058716	0.71
544.3156128	0.22
552.9385376	0.06
554.1177979	0.18
556.1448975	33.81
557.0376587	0.03
571.5681763	0.09
572.3716431	0.35
574.0971069	67.95
574.7777100	0.21
581.1163940	0.02
603.3552246	0.14
628.3086548	0.09
644.3047485	0.09
645.0099487	0.06
645.9989624	0.03
657.3342896	0.31
675.4484253	0.47
676.2587891	0.10
702.8376465	0.06
703.5801392	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	543.1312
Annotation	Galactotriose
Peak:m/z	Relative Intensity
200.0567627	0.13
261.0461121	2.26
275.4222107	0.22
276.0465088	0.13
302.5838623	0.20
313.1848145	0.23
320.8254395	0.55
335.8029785	0.06
336.6607666	0.32
349.1488647	0.47
363.0994873	34.86
364.1611938	0.20
377.6831665	0.34
381.0942993	100.00
382.1006470	0.25
394.3445435	0.20
395.9306641	1.89
422.9144897	0.30
434.8477173	0.62
445.3021240	0.31
453.0406494	1.23
464.3326416	0.18
481.1231079	0.07
482.9832764	1.04
523.9955444	1.17
525.1481323	2.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	671.54
Annotation	(3S,14R)-Petrocortyne G
Peak:m/z	Relative Intensity
209.4265747	0.40
247.1625061	2.64
249.158844	0.89
265.2498169	9.32
283.3660889	0.40
308.7876587	1.04
312.8980713	2.94
314.387207	2.30
316.5099487	0.84
323.4789429	1.55
329.3499146	0.49
341.4683228	0.36
372.3282471	1.00
389.317688	3.00
401.5551758	0.44
412.5594482	0.60
417.1625977	3.30
417.7924805	1.28
419.0276489	6.84
419.7445679	0.73
430.699646	1.28
440.1412964	0.71
455.4823608	0.84
463.1037598	1.89
463.7263794	0.58
513.2954712	1.48
555.0153809	0.70
561.9588013	0.82
567.2548828	13.23
574.2931519	1.07
581.614624	1.51
583.362854	4.35
604.6807251	1.21
622.7677612	0.44
625.4152222	2.46
629.8977661	4.06
635.4407959	4.94
636.2869873	1.33
653.5255127	100.00
654.338562	2.14
670.7346802	2.25
671.4200439	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	718.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
216.8331146	0.15
254.9115295	0.10
265.7039185	0.10
266.7228394	0.17
283.1318970	0.09
284.1092529	0.34
284.9415588	0.47
288.8371582	0.84
290.9993591	0.18
300.9686279	1.41
303.0924683	0.49
306.6649780	0.06
309.0926514	0.86
311.0222168	0.21
313.2514038	0.14
319.0150757	0.19
321.2110596	0.25
326.9658203	0.18
333.2038574	0.19
338.7796021	0.19
341.3182983	0.16
343.3447876	0.13
348.8705444	0.22
368.9478149	2.02
378.0822754	7.73
379.0718384	19.08
379.6799316	0.32
385.1645508	0.50
386.1574097	24.41
387.1265869	62.18
388.1231689	0.38
401.6819458	0.17
404.7661133	0.33
411.1134644	0.87
413.4136353	0.18
428.0572510	3.05
429.1497803	1.06
459.2905273	0.17
471.2862549	0.20
477.2647095	0.23
483.0219116	0.10
494.0695801	0.09
501.0197754	0.09
513.1129761	0.24
529.7918701	0.07
531.0204468	4.31
537.8081665	0.14
539.0000610	0.61
547.8297119	16.48
549.0637817	100.00
550.1222534	2.76
552.1585083	0.11
553.4191284	0.29
555.7957153	10.29
557.0234985	31.29
561.9288940	0.36
598.2369995	0.71
613.3251343	0.15
614.7379761	0.31
646.9340210	0.05
674.7631226	0.47
699.9641113	0.61
701.0638428	2.57
701.7047729	0.13
718.6477661	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	643.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
217.1328583	0.53
303.0836792	10.98
311.5396729	0.16
321.0062256	7.39
361.0831299	0.08
381.2133789	0.74
409.5529785	0.28
419.2879639	0.35
423.3065186	0.08
437.1923218	2.30
467.0203857	0.72
479.2619629	20.97
484.9681396	0.09
497.1903076	9.81
509.1405029	0.14
539.3098145	36.11
581.1318970	0.17
625.1697998	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	578.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
188.2546692	0.07
212.9704132	0.10
223.2425232	0.12
230.0248718	0.34
241.5639801	0.22
248.1050415	0.30
251.3415222	0.33
265.9240723	0.11
275.2100525	0.16
277.2982788	3.45
284.2056274	0.93
286.3807373	0.07
292.7873535	0.07
294.0716553	0.13
295.1669922	0.90
302.1790161	0.16
303.0804443	0.16
309.3083496	0.38
313.0449524	0.54
327.1665039	1.61
328.4054565	0.10
333.3933716	0.11
341.1240234	0.12
348.7277222	0.14
359.3375244	0.06
363.0895386	0.06
378.2189941	0.15
381.1811523	1.98
382.2735596	0.07
385.3711548	0.16
398.2655029	2.23
399.2318115	10.62
403.2843018	0.10
414.3839722	1.19
416.1832275	100.00
416.8451538	0.29
425.8043213	0.07
439.3004761	0.05
451.9848022	0.09
458.3228760	0.28
461.1685791	0.11
492.9208374	0.31
494.4144897	0.40
501.3901367	0.19
503.5001221	0.51
512.3774414	0.20
523.0563354	0.20
525.2792358	0.20
542.1616821	1.37
543.3137817	0.10
555.4266968	0.41
559.3458862	1.50
560.3046875	5.07
561.1232300	0.13
562.5647583	0.09
563.3985596	0.05
569.7401123	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	282.2788
Annotation	Oleamide
Peak:m/z	Relative Intensity
80.91349792	0.22
82.68701172	0.13
83.78189087	0.12
85.00952148	0.57
86.01441956	0.18
91.06925964	0.17
93.05711365	0.71
95.02488708	1.93
96.96026611	0.76
98.4683075	0.22
99.96043396	0.37
107.1033707	0.52
109.088913	1.85
111.0074768	2.25
113.3335648	0.64
114.0846786	0.77
115.0838547	0.16
121.0037918	1.49
123.1061554	1.38
125.0955887	1.86
127.203949	0.74
127.9281998	1.17
128.8864136	0.30
135.0718994	2.61
135.8832092	0.04
136.9754639	2.50
139.0305786	1.54
140.8422852	0.45
142.0727844	2.44
143.6652527	0.15
149.1313782	4.90
151.1097412	2.35
152.995224	1.89
154.8123474	0.85
156.0841064	2.10
156.9614868	0.03
163.1737366	3.97
165.1640472	2.05
166.4578705	0.48
167.1779175	1.94
168.9584961	0.40
170.1210327	2.84
177.2324524	2.89
178.5425415	0.10
179.2086639	0.17
180.2339783	0.39
181.1690521	1.92
182.2878723	0.05
183.024292	0.60
184.1837463	3.89
189.0823822	0.08
191.2054138	4.03
193.1665649	0.12
195.1184387	1.02
196.354126	0.23
198.099823	2.64
205.1998291	0.68
206.3674011	0.40
207.2818909	0.18
208.3257141	0.18
209.1479797	0.55
210.1654358	0.32
211.0144348	0.32
212.2605591	2.17
219.1559753	0.60
220.7319031	0.35
222.1964417	0.23
223.3537903	1.38
224.1716003	0.06
226.1577148	3.33
237.2146912	0.38
238.5884705	0.21
240.2313538	0.92
247.2929077	72.29
251.2139282	0.39
251.9853821	0.19
254.2760315	0.04
265.2543335	100.00
267.3187866	0.18
268.2756653	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	445.0068
Annotation	Unknow
Peak:m/z	Relative Intensity
145.8921509	0.14
150.9871521	0.26
153.8410034	0.09
158.9383698	0.29
161.1450958	0.07
176.0442810	0.16
185.0490417	0.20
202.9488220	0.05
214.1528778	0.44
215.9633942	0.08
217.0329132	0.49
218.9170837	0.07
220.0697327	0.17
235.1616516	0.02
243.3549805	0.07
243.9907532	0.21
260.0099487	0.46
261.1139221	0.87
262.1405640	0.60
263.0729675	0.28
276.0394287	0.10
277.9921570	0.17
278.9718933	1.36
280.0551147	0.16
281.1452637	0.18
282.0108948	0.39
283.0592651	0.50
289.1476440	0.14
293.0603027	1.38
293.8712158	0.16
295.1005859	0.18
296.8048096	0.29
299.3053589	0.28
300.0167542	0.14
306.0247498	10.49
307.0870972	4.71
308.0494385	0.07
309.2130127	0.12
315.4330444	0.13
324.9658203	0.21
326.4782410	0.14
327.2441711	0.25
336.1087646	0.67
338.3544312	0.45
338.9896851	2.59
345.2955627	0.37
349.5384521	0.17
353.0422363	9.26
353.8477783	0.23
355.0078735	0.82
357.3057861	0.81
359.1420288	0.29
361.3466797	0.06
375.2339783	0.08
376.9302063	0.20
380.9609680	0.09
382.2752686	0.10
383.4493103	0.09
384.8628845	0.05
389.1275635	0.07
393.3864441	0.06
398.9630432	100.00
400.1009216	1.98
401.1443176	4.36
407.5749207	0.10
409.3434753	0.11
417.8387146	0.08
426.8606567	1.05
427.5323486	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.17
Annotation	Unknow
Peak:m/z	Relative Intensity
205.9697266	0.10
211.0995636	1.35
225.0201416	0.17
230.1180115	0.19
253.2889709	0.06
254.3995361	0.12
259.1620178	0.12
267.9222412	0.18
280.0388794	0.92
288.9824829	0.10
300.2057190	0.08
305.1667786	0.04
307.1755371	0.08
323.0775757	72.64
323.9543457	0.12
341.3168335	0.33
348.1235962	0.04
365.1416016	0.15
366.1196289	0.08
383.1381836	0.12
384.6618042	0.06
385.3438110	0.31
386.1701660	0.09
387.2105103	0.06
403.0650635	0.97
424.7711792	0.16
443.1005859	0.03
451.2618408	0.55
503.2721558	100.00
530.2293701	0.14
531.0983276	0.52
532.0988770	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	241.11
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
72.9735413	1.39
86.9563370	0.04
101.0385590	0.07
108.9630432	0.13
110.9742432	0.13
123.1557922	0.28
124.2184906	0.08
125.1152954	0.03
135.0050812	0.14
137.9433899	0.18
144.9695892	0.06
151.1253204	0.67
153.1387787	0.21
155.1266785	0.03
159.1775055	0.13
161.4246368	0.13
165.1447296	0.05
167.0040283	0.07
168.2025452	0.11
169.0099640	0.75
170.9212799	0.05
173.0054474	0.09
179.1661377	0.38
181.1773987	0.31
182.2887878	0.43
182.9906616	1.00
185.0054321	0.04
187.0631409	0.04
193.2241974	0.07
195.0386047	0.76
197.0676422	100.00
198.3270721	0.10
207.0965271	0.10
211.0712433	0.29
223.1896362	1.98
225.0699921	0.33
232.0732269	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	736.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
226.1049194	0.14
231.8257599	0.28
256.1115723	0.48
267.9990845	0.03
274.1222534	1.86
275.0042725	0.26
291.9420776	0.40
304.0766907	0.10
328.0482178	0.11
334.3235474	0.32
335.0310059	0.09
345.9947510	0.05
351.5784302	0.40
352.2133179	0.04
376.1918945	0.10
393.3317261	0.98
394.1998901	1.93
395.0652466	0.91
412.1207886	3.84
428.4024048	0.07
450.2518311	0.05
452.1425781	1.38
454.1691895	100.00
464.3125610	0.06
466.1842651	1.28
482.1846924	0.21
484.1020508	0.61
495.3180542	0.06
496.0773315	0.58
508.2348633	0.91
511.7244873	0.09
513.2011719	0.14
514.1816406	5.01
538.1711426	0.23
556.1890259	27.49
557.4672852	0.08
564.2484741	0.11
572.1183472	0.18
574.1221313	67.38
574.8364258	0.11
616.2072754	0.11
627.1741333	0.10
643.3411255	0.09
745.0031128	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	371.0981
Annotation	6-O-p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
119.0219116	1.61
137.2784424	0.07
163.0434875	72.14
164.9670410	0.17
166.8655548	0.07
171.2318115	0.09
179.8658600	0.02
191.2428589	0.14
194.2167053	0.03
197.0498047	0.24
205.1173248	0.06
209.1036987	0.65
228.9887695	0.09
237.2920837	0.09
245.3141785	0.10
247.9813843	0.05
249.3008118	0.04
250.2658997	0.05
253.3059082	0.07
254.3354492	0.04
261.0789185	0.15
279.3580933	0.08
280.3110352	0.05
283.2737427	0.23
283.9213257	0.04
285.0993958	0.07
286.0558472	0.17
292.1012573	0.05
292.9331360	0.19
300.4472656	0.12
303.2465210	0.25
309.2224731	0.13
310.4707642	0.03
312.9934082	0.08
325.0413208	100.00
325.6851807	0.65
327.0365295	1.04
335.1538086	0.19
337.9060364	0.17
343.3494263	0.03
351.3827515	0.07
352.2958069	0.19
353.0550232	0.65
354.1718445	0.06
355.0153503	0.11
356.0786133	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.0717
Annotation	Corynether A
Peak:m/z	Relative Intensity
93.03764343	0.10
95.17511749	0.03
96.91593933	0.15
98.88368225	0.03
107.0935364	0.13
108.9643021	0.81
111.1522751	0.05
121.1067047	0.29
122.9624023	0.32
125.0410614	2.46
129.0235596	0.08
130.0904999	0.05
132.9777985	0.09
135.0929565	0.16
137.037262	2.10
139.0255737	0.33
147.0045776	0.04
148.9786682	0.08
151.0151215	1.72
152.1226349	0.02
159.0234985	0.48
159.859375	0.05
161.1363983	1.92
162.0752563	0.18
163.0543976	0.26
164.045166	1.20
165.0454712	3.11
167.0106506	1.36
169.0470276	0.01
170.9036865	0.03
172.0703735	0.10
173.2321472	0.01
174.2073059	0.02
175.0869598	0.64
179.0722046	13.09
180.1557159	0.12
181.2666931	0.03
182.3331299	0.04
182.9387512	0.06
184.9929504	0.15
186.2738342	0.22
187.0924225	1.82
188.130127	0.81
189.1976624	0.08
193.0968628	0.15
199.1887817	0.15
201.1077881	0.73
203.0437622	7.64
203.6777039	0.02
205.054718	33.01
208.0817871	0.14
208.9802856	0.18
210.6656799	0.05
212.1190491	0.40
214.2870789	0.04
216.1383972	0.03
217.0874329	0.34
221.2408752	0.15
225.3833008	0.15
227.0140991	1.32
229.2184753	0.23
231.0191345	5.67
242.1210022	0.04
243.2021179	0.27
245.0903931	100.00
245.9616699	0.14
247.1035156	5.08
251.1433105	0.10
253.0627441	0.51
255.3305054	0.04
261.0223389	0.03
262.0079346	0.10
269.0835571	0.01
271.0987549	6.05
289.0206604	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	787.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
303.0539856	0.69
303.8485718	0.15
321.1318359	1.22
323.0795593	0.07
378.3591309	0.77
387.4859009	0.50
443.3435669	0.13
460.3735962	0.23
465.6013184	0.35
493.1828613	0.68
525.2275391	0.36
543.4013062	0.16
544.3045654	0.51
571.0850830	0.23
572.3661499	0.11
587.3244019	0.23
595.3673096	0.16
617.3340454	0.57
623.9625244	0.16
625.2338867	0.12
626.4471436	1.64
630.1791992	0.10
636.9564209	0.19
647.3185425	0.20
653.3496704	0.34
656.2208862	0.21
657.1983643	0.19
658.1193237	0.03
675.3558350	0.90
676.2077026	0.19
683.4841309	0.04
684.6171265	1.55
685.2600708	0.04
691.1116943	0.06
699.1796265	0.09
699.8837280	0.44
700.8751831	0.28
705.4576416	21.52
706.6971436	0.50
707.6266479	0.10
709.0445557	0.44
710.2321777	0.11
714.4987183	63.24
715.5925903	1.27
716.8301392	0.44
717.6424561	0.28
718.2625732	0.13
718.8993530	0.27
721.4384155	0.60
725.3306274	0.22
727.1676636	5.69
728.1780396	1.89
735.4447021	100.00
736.4078979	0.30
738.3178711	0.07
741.0963135	0.04
742.3911743	0.39
743.4815063	0.55
746.7957764	0.06
755.9666748	0.70
757.5957642	0.92
758.5443115	0.06
765.3550415	0.07
766.7832031	0.17
768.8801270	0.33
769.6055298	1.54
778.2028198	6.34
779.0177612	0.38
829.4730835	1.29
847.1694336	0.20
848.5652466	0.44
871.2012329	0.07
887.2994385	0.06
888.8048706	0.07
927.7092285	0.16
931.5175171	0.29
986.3573608	0.07
1004.2946170	0.05
1089.4152830	0.30
1090.2730710	0.18
1095.6137700	0.24
1105.3068850	0.07
1107.2443850	0.30
1124.5090330	0.16
1137.3361820	0.21
1138.3862300	0.08
1149.2355960	0.55
1175.2124020	0.22
1191.5854490	0.21
1193.3374020	0.36
1194.4699710	0.18
1209.9808350	0.07
1235.0878910	4.26
1236.0721440	2.47
1236.6975100	0.22
1246.6827390	0.03
1253.3143310	80.63
1254.4405520	28.92
1281.1905520	0.30
1313.2762450	0.18
1369.3281250	0.06
1399.3676760	0.36
1411.3182370	3.81
1412.3399660	3.44
1417.2496340	0.29
1441.5457760	0.47
1442.3262940	0.15
1445.6484380	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0667
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
100.9814301	0.03
113.0457306	0.10
125.0022202	3.26
160.9269409	0.03
167.1410522	0.08
169.0128784	100.00
173.0172729	0.03
178.8093414	0.13
189.3408813	0.07
192.9810638	0.14
211.1474304	0.53
241.0004883	0.04
253.2087097	0.06
263.2409973	0.08
269.0071106	0.03
271.1295776	1.93
288.9382324	0.09
313.1759644	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	649.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
215.0226593	0.04
221.1781006	0.18
228.5461273	0.04
232.8190002	0.18
242.9602661	0.04
250.7345581	0.04
273.0343933	0.07
305.9304810	0.04
323.0598145	0.41
323.6861572	0.02
329.2035828	0.08
341.0933838	0.64
357.3757935	0.04
383.1240845	0.88
396.2194824	0.04
412.3448486	0.25
413.3082886	0.20
425.1927490	0.11
429.0820923	0.03
439.3805542	0.04
443.0383301	2.34
444.8534546	0.06
448.0395508	0.07
455.2933960	0.09
472.2429199	0.05
476.5047607	0.05
494.2104492	0.06
503.2288208	100.00
504.0891113	0.02
508.0647583	0.03
545.6080933	0.03
549.0599365	0.04
551.1170654	0.41
559.5779419	0.02
589.2140503	0.30
602.8922729	0.04
613.1223145	0.03
630.9323120	0.07
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
83.9646988	0.68
102.0168915	14.63
129.9328766	100.00
130.9743042	4.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2499
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0179596	0.53
108.910347	0.99
112.640274	0.47
117.0077515	0.27
119.0927734	0.22
120.9992523	3.80
122.9202499	0.38
124.9608917	0.08
131.0749817	0.28
133.0456696	0.29
135.0259094	1.04
137.1610107	0.32
141.0141602	0.10
143.0081787	2.87
144.819458	0.32
146.8935547	0.63
149.0803528	1.74
150.913147	0.24
153.0739441	0.56
154.9541016	0.75
156.9107361	1.13
159.0107117	4.71
161.0775757	0.56
163.1528625	1.29
164.9893951	0.48
166.9380188	0.13
169.1064148	0.89
170.978363	0.42
172.9010925	8.39
173.6998291	0.24
177.1155548	0.33
180.9568939	0.12
183.0735168	0.95
186.8247528	1.69
191.2174225	0.18
193.0435181	1.10
195.1371002	0.77
197.1220093	1.55
198.1264343	0.64
201.0279083	0.33
203.3674011	0.46
205.2689209	0.24
206.778717	1.14
207.6007996	0.27
209.182251	0.78
211.0708923	3.78
215.2099304	0.56
217.1941833	1.01
219.2982788	0.69
221.0581665	0.18
223.3092041	1.40
223.9615479	0.13
226.9069214	0.09
229.1954956	0.30
230.3354187	0.42
231.2886047	0.22
232.8771057	0.16
239.2035217	0.37
243.1999512	0.72
245.2311707	1.33
247.2311707	5.52
251.163208	0.09
259.2479858	2.09
267.3002319	0.09
268.2785645	0.58
272.403656	0.26
273.21875	0.57
273.8422852	0.30
275.537323	0.21
277.4879761	0.92
279.1469116	0.70
280.8873291	0.62
281.4896545	0.83
283.0021362	0.10
285.1434326	1.41
287.5063782	0.47
293.815918	0.13
295.2404175	3.35
296.8409424	0.33
298.6728821	0.15
299.310791	2.43
300.2614746	0.25
301.3356323	0.26
302.8338013	0.10
303.5388184	0.52
305.2862244	6.27
306.9307251	0.35
309.1026611	0.97
311.3136292	0.11
313.484436	2.68
317.9877319	0.08
322.1641235	0.89
323.239502	100.00
324.0247803	0.98
325.1345215	0.29
326.2098694	0.09
340.3818359	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1091.12
Annotation	dTDP-3-methyl-4-oxo-alpha-D-ribopyranose
Peak:m/z	Relative Intensity
431.1416931	0.01
617.4031982	0.01
618.3754883	0.12
752.2310181	0.01
767.4233398	0.03
769.1687012	0.84
770.3912964	0.11
771.4700928	0.04
787.2619629	0.51
876.4959717	0.02
918.8828125	0.03
920.2454834	0.35
921.1717529	0.21
936.9718018	0.04
939.1011963	100.00
939.7816162	0.45
1046.1658940	0.05
1071.9916990	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	551.2134
Annotation	Nudiposide
Peak:m/z	Relative Intensity
260.9984131	0.17
293.4810791	0.05
312.8716431	0.03
319.3794556	0.12
331.3119507	0.13
342.4968872	0.16
347.1149292	0.29
359.3054810	34.67
363.1839600	0.20
371.3322144	2.28
372.3228760	6.45
373.2992554	0.74
386.3102417	0.16
389.0343628	41.11
389.6892090	0.14
404.6777344	0.60
411.0090942	0.26
415.4520874	0.08
418.5408936	0.43
419.7166748	0.20
423.4038696	0.10
431.2160645	0.29
445.4137573	0.07
455.0394287	0.10
461.3971558	0.07
463.6658936	0.45
464.5287476	0.48
466.2702026	0.24
468.3356323	0.17
469.6793213	2.94
470.4347534	0.93
474.7402344	2.01
475.6088867	0.48
477.4945679	0.26
488.4468384	0.24
489.5363159	0.10
493.6669922	0.31
504.2069702	100.00
505.3587036	19.63
506.9149780	2.18
508.6146851	0.14
514.7737427	0.45
515.9028931	0.04
519.1328125	0.74
521.4661255	0.10
524.0454102	0.49
529.3595581	0.91
530.9461060	0.24
532.5559082	1.09
533.2737427	1.40
534.0993042	0.16
536.2342529	0.15
541.5551147	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	353.2674
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
107.0628052	0.26
108.8787766	0.26
114.8442841	0.59
121.0130539	0.46
123.0383148	1.32
129.0454102	0.28
130.9318848	1.26
133.1197205	0.49
135.0782013	1.29
137.1520081	1.67
139.0606537	2.78
145.282135	0.40
149.1392517	4.35
150.4684143	0.14
151.2082214	0.50
155.1370544	0.21
156.8456421	0.28
159.2154083	2.01
160.9217072	0.20
163.0966797	2.27
165.0786133	1.47
169.0586243	0.59
173.1604919	1.58
174.9353638	0.14
177.2266998	1.85
179.2206268	1.22
179.8715057	0.66
180.9217682	1.17
182.9865875	1.56
185.2550659	0.86
187.1160889	1.80
189.259201	0.23
190.9202118	0.85
197.1921539	0.43
201.3052063	0.88
205.2802429	1.61
211.2275391	0.21
213.153656	1.64
215.1334839	2.47
217.3688049	0.33
219.415741	0.58
222.9810486	3.39
225.2033691	0.29
226.7497864	1.21
229.2548828	1.36
231.3803406	0.69
233.3223267	2.35
235.6741638	0.63
237.2639771	0.57
239.2865295	0.19
243.2502747	21.81
245.1722107	2.64
249.4108582	0.42
250.3398438	0.99
251.0625916	1.08
252.9365845	0.14
259.2777405	0.43
261.2812195	100.00
263.0318909	1.65
265.1776123	4.36
275.0729675	1.56
277.7294922	1.43
279.1756592	9.10
281.0717468	1.77
282.0512695	1.01
283.0827026	2.55
285.3601074	0.71
293.1431885	0.61
295.2631531	0.47
296.9563293	0.96
307.3713989	1.07
308.4746704	3.00
309.2538452	0.20
310.3305664	0.63
311.83078	2.92
316.6265259	0.39
317.2514038	4.05
324.4124146	1.41
325.3669128	0.67
329.6418457	0.96
335.2511902	59.97
338.7321472	0.17
339.8066711	1.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	939.61
Annotation	Unknow
Peak:m/z	Relative Intensity
277.1624451	0.31
279.1637878	0.04
295.1234131	0.02
300.4307251	0.07
307.5029907	0.02
314.0266113	0.03
321.1316223	0.03
323.5162964	0.06
325.0756531	0.03
341.3394775	0.24
343.0129700	0.16
359.1103516	0.10
360.3788452	0.07
376.2168884	0.03
385.2202759	0.03
387.3057861	0.05
403.1122437	0.09
404.3173218	0.03
422.9409180	0.08
429.2249756	0.70
430.2755127	0.14
431.2705688	0.87
432.1851807	0.16
447.1260986	1.12
448.0686646	0.01
465.0877686	0.30
466.1086426	0.08
493.3243408	0.07
511.2779541	0.21
527.3437500	0.04
555.3242188	0.60
573.2844238	0.11
599.2287598	2.01
600.1293335	0.80
601.1118774	1.18
602.0869751	0.32
617.1966553	7.67
618.2492065	0.69
635.1374512	0.54
636.1464844	0.07
697.1634521	0.04
725.1815186	0.93
726.2162476	0.22
752.4284668	0.04
769.1409302	100.00
770.2266846	13.91
771.1646118	0.34
787.1126709	12.01
788.1085205	1.52
788.7990112	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1133.304
Annotation	Unknow
Peak:m/z	Relative Intensity
321.2902222	0.08
363.2371521	0.22
387.0130615	1.85
397.0236511	0.31
405.1653137	4.11
417.4741211	0.25
423.1278076	0.19
447.2454224	0.20
465.3324890	0.05
521.1858521	0.32
527.0874023	0.18
539.0482178	0.10
543.4843750	0.22
551.4136963	0.18
561.2903442	0.70
563.2160645	0.46
569.1447754	1.16
581.5288086	0.38
604.9705811	0.15
623.2391357	2.98
629.5275879	0.08
641.2717285	0.05
646.9547119	0.41
665.1670532	0.90
666.9647217	0.06
683.1362305	0.09
685.2706909	1.92
707.1803589	0.28
709.3066406	16.09
727.1761475	70.99
727.8827515	0.61
733.0108643	0.87
751.1654053	0.88
769.1987915	0.88
784.9382324	0.17
787.9567871	0.05
793.1021118	2.84
811.1419678	4.71
823.3548584	0.14
825.5961914	0.43
828.8680420	0.26
839.4085693	0.12
870.9166260	0.68
885.1002197	0.25
925.0516357	0.32
926.4843750	0.63
927.2657471	8.46
945.2113037	0.48
957.2745361	2.15
969.3139648	1.32
975.3508301	1.31
985.0036621	0.11
987.1494141	2.24
987.8464355	0.03
999.3372803	0.15
1017.3100590	1.45
1027.2357180	0.22
1029.2375490	12.29
1029.8530270	0.12
1053.2302250	0.18
1055.0808110	1.37
1071.1457520	0.50
1073.2983400	8.51
1073.9243160	0.08
1089.0316160	0.48
1091.4095460	3.27
1097.4603270	0.89
1115.2431640	100.00
1116.0770260	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	550.76
Annotation	Unknow
Peak:m/z	Relative Intensity
211.1087952	0.40
212.7998810	1.11
213.8046875	0.22
214.6860504	0.32
253.5473480	0.13
279.7426147	0.18
296.7749939	9.22
298.1406860	1.35
298.8171387	8.32
306.1282959	0.12
307.3041992	0.07
323.0947876	8.38
324.1492310	9.86
325.1821899	2.48
380.6187744	29.14
381.8748779	9.96
382.6855469	47.98
383.3879395	0.16
387.0156250	0.46
388.9814453	0.69
403.4225464	0.19
428.8395996	0.04
429.9445801	0.19
431.0203247	0.39
435.6206665	0.04
443.9716797	0.09
444.8882446	0.19
449.2676392	0.09
458.8298340	0.05
460.1402588	0.04
460.8991089	0.67
463.9968262	2.63
464.6735229	19.59
465.8249512	25.26
466.5810547	100.00
467.3600464	0.18
486.8632202	0.08
490.0245972	0.49
491.0839233	0.20
502.8334351	1.05
504.3482666	0.80
532.1433105	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	716.69
Annotation	Unknow
Peak:m/z	Relative Intensity
212.7473755	0.49
296.8312988	5.60
333.1447754	0.09
339.5050354	0.17
380.6873169	22.16
386.9019165	0.18
461.7589722	0.12
464.5773926	38.60
470.9231567	0.24
488.6231689	0.22
493.5955811	0.26
508.6959839	0.76
525.4624023	0.17
537.1571045	0.35
546.0377808	0.48
546.8884888	0.30
548.5000000	96.70
550.6331177	15.79
551.2601929	0.09
553.7075806	0.23
554.6273193	0.15
556.4313354	0.34
568.8284912	0.84
572.3732300	0.75
573.2723999	0.45
580.6879272	4.92
586.0898438	0.18
586.7317505	0.73
595.9873657	0.07
596.7832642	0.24
607.7733154	0.09
609.3591309	1.35
610.2600708	4.27
611.0349731	0.19
614.1378784	0.06
623.0031738	0.14
629.6699829	0.07
631.8450317	17.22
632.5194092	100.00
633.3258667	0.31
640.1439819	0.71
640.9437256	0.13
652.3955688	1.78
656.7236328	2.64
669.9741821	1.41
670.6190796	4.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	544.73
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9157104	0.09
208.9058533	0.14
290.2293701	0.27
290.8296509	4.11
292.7942200	4.48
374.6118164	1.92
376.5727539	4.02
377.2564087	0.01
424.6934814	0.05
458.5894775	17.70
460.4947510	100.00
461.2623901	0.26
484.7810669	0.07
497.8992310	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
83.14105225	0.07
84.86959076	0.01
97.15228271	0.05
108.371994	0.13
109.1152496	0.05
111.0175323	1.84
113.1018219	0.03
120.6968689	0.02
125.120285	0.04
127.0275116	0.03
128.8917084	0.02
131.3406372	0.01
135.6699829	0.03
138.1182709	0.22
139.2005157	0.22
147.2315216	0.02
149.083252	0.09
151.0769196	0.25
153.0131531	100.00
153.7770081	0.04
159.0334625	0.02
160.1418152	0.01
161.1065521	1.35
162.959198	0.03
165.1894073	0.10
167.3979645	0.08
172.9632874	0.06
175.0415039	0.06
177.013031	0.03
181.13237	0.10
189.1133423	0.08
190.1317291	0.04
191.2100372	0.11
193.4216766	0.03
197.0008698	0.03
201.180542	3.41
203.152832	0.20
204.1671753	1.52
205.0275879	0.04
216.9943695	0.09
219.1369781	32.44
226.0544739	0.02
226.9672699	0.04
230.3488617	0.01
233.1984406	0.02
235.0297852	0.22
243.2837067	0.07
244.2493896	0.61
245.2039642	2.43
246.1216583	0.13
247.0688629	0.02
248.0363007	0.02
254.1452637	0.09
261.0632935	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	787.0978
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
223.1707458	0.01
233.1351624	0.01
234.1695862	0.01
235.1421814	0.03
241.2633057	0.05
247.9373169	0.05
251.0321045	0.06
267.0754700	0.06
275.2948914	0.10
277.0845642	0.30
278.5017395	0.01
281.2519226	0.01
287.1608582	0.01
295.1996460	0.44
296.2560425	0.02
296.9071960	0.03
301.2902222	0.05
305.4729919	0.01
313.2131348	0.33
314.2214966	0.07
324.2314453	0.04
327.2586670	0.03
331.0383301	0.05
340.4757690	0.08
343.1401367	0.12
349.3912354	0.02
359.5536499	0.01
377.2484741	0.21
391.1569824	0.05
392.3289185	0.03
403.1623535	2.32
404.2309570	0.66
405.1611328	0.02
419.2885742	0.10
421.2681885	0.57
422.2119141	0.07
423.1631470	0.01
429.3144531	0.06
429.9533691	0.03
447.2332153	2.02
448.2530518	0.24
449.3133545	0.30
450.1520386	0.07
465.2079468	5.05
466.2159424	1.20
474.3573608	0.02
483.0968018	0.18
484.0728760	0.08
511.4024658	0.07
529.2854614	0.43
530.2380371	0.13
539.4558716	0.02
546.0620728	0.03
555.3502197	0.04
556.2705688	0.04
573.2929077	5.13
574.3115234	1.19
589.3250122	0.02
600.3449097	0.02
617.1763306	100.00
618.1920166	20.85
619.3596802	0.12
635.1716919	21.00
636.1874390	4.73
637.1316528	0.01
697.1253662	0.04
698.5271606	0.02
738.0264893	0.01
743.2348022	0.05
744.7319946	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	593.0934
Annotation	Catechin 5,3'-di-O-gallate
Peak:m/z	Relative Intensity
169.0307770	1.82
175.4331207	0.03
179.1225891	0.04
182.8706055	0.25
189.2446442	0.11
193.0460205	0.69
197.1396179	0.03
199.0151520	0.04
200.9947205	0.07
205.1801910	0.12
211.9828186	0.04
213.1030884	0.08
217.3617401	0.07
224.8433228	0.07
227.2649536	0.99
243.1441650	0.03
245.1296082	0.68
253.0823364	1.26
259.1000977	0.47
271.2028198	21.76
275.1108093	0.81
280.1241455	0.12
285.3256226	0.05
287.2120972	1.90
288.1578369	0.20
289.1797180	14.74
290.2439270	0.11
291.0082703	0.18
293.5899353	0.15
297.0499268	0.44
301.0395508	0.30
301.7706299	0.05
303.1984863	1.58
305.1594849	0.07
311.1425781	0.12
313.1405029	0.08
315.2460327	0.55
318.9985352	0.08
321.2485352	1.14
331.1332397	1.95
337.4771118	0.13
338.1671143	0.12
343.3391113	0.16
357.2268066	0.20
379.3568726	1.10
385.5494385	0.15
388.3320312	0.08
392.4986572	0.04
397.3063965	1.32
401.0123291	0.11
405.4133301	0.10
410.8878784	0.17
413.1755371	0.47
423.1349487	21.26
424.2641602	0.19
425.1362915	1.34
426.0977783	0.06
431.2439575	2.34
439.1478882	0.23
441.1709595	100.00
445.1071777	0.05
447.3636475	0.24
448.1490479	0.12
455.0927124	0.23
455.7957153	0.19
456.5102539	0.17
464.5222778	0.17
467.3259888	0.41
473.3949585	0.30
483.2380981	1.63
486.0814819	0.05
487.1997681	0.30
489.2455444	0.04
499.1932983	0.10
504.0156860	0.11
505.7020874	0.54
507.4011230	0.10
509.0017700	0.04
516.0467529	0.58
516.8709106	2.14
520.4297485	0.06
525.3353882	0.10
546.2885132	1.00
547.2119751	1.63
548.3829346	0.17
549.3623657	0.52
550.7225952	0.05
551.6526489	0.22
557.2649536	0.08
570.1571655	0.45
574.0987549	0.09
575.1535645	0.92
584.4253540	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	443.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
165.2117004	0.12
172.1027374	0.35
202.0930939	0.13
227.3430786	0.10
239.0823364	0.08
244.3866272	0.20
249.0998840	0.14
264.2680359	0.21
265.2174988	0.42
269.1067200	0.28
271.0237427	0.14
274.3000183	0.44
277.9551086	0.34
279.2729492	0.20
281.1345825	100.00
283.3428650	0.12
287.0891113	0.52
310.4896240	0.20
311.2357788	0.34
320.2498779	0.06
323.1697083	0.24
327.2282715	0.84
330.0250854	0.31
336.8043823	0.15
338.1646118	0.08
345.6269531	1.06
347.2437744	0.67
353.2273865	0.24
359.4282837	0.22
371.3445129	0.84
382.4748230	0.27
385.1394653	0.21
389.1750793	0.39
396.8676147	3.25
399.3077698	0.35
401.9927063	0.15
406.2579041	0.35
407.2553101	0.22
409.0626831	0.35
414.5130920	0.48
415.6369324	0.43
424.7646790	1.63
425.5121765	2.58
432.0519409	0.49
447.5986328	0.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	383.1194
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
110.9896393	0.04
126.8969269	0.04
136.8273621	0.04
140.7564087	0.04
142.9308014	0.03
154.9978943	0.03
171.0195007	0.12
173.1622314	0.25
191.0071259	100.00
195.1280823	0.02
245.1792603	0.04
293.2590332	0.20
323.2276001	0.21
337.0321045	0.05
339.4226990	0.05
341.2465820	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	464.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
169.2046814	0.06
190.9869385	0.14
192.9802246	0.09
208.9472198	0.13
235.1659546	0.31
237.1214752	0.11
249.2491760	0.06
266.9813843	0.11
269.0058594	0.08
270.2914734	0.14
284.2125549	0.37
286.9320374	0.19
302.1432495	100.00
303.0155640	0.12
308.0320435	0.07
315.1781006	0.14
316.3570557	0.22
317.2568359	0.39
323.1839600	0.04
325.1012878	1.07
328.3068848	0.09
340.1377869	0.41
343.5289612	0.20
347.0734863	0.09
351.5894165	0.11
354.3276062	0.15
355.9697266	0.05
358.1195068	0.14
359.2037048	0.52
361.4759521	0.12
364.3658752	0.23
371.2275391	0.17
372.3348999	0.17
378.1399841	0.51
379.2918701	0.24
382.8800964	0.43
383.7037964	0.23
384.3635559	0.20
386.1831970	0.25
387.0083313	0.88
390.3265381	0.27
393.3982544	0.27
399.3695984	0.19
402.6488342	0.13
409.6210022	0.34
410.7301331	1.56
418.2661438	0.34
419.1203918	0.78
421.7791443	0.36
423.7192383	0.44
428.3191528	0.58
435.0810242	0.29
446.0599060	4.00
447.0126343	0.65
455.0960693	0.07
456.1936340	0.45
463.4535522	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	663.2684
Annotation	2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside
Peak:m/z	Relative Intensity
283.1019592	0.16
313.4355774	0.04
324.9151611	0.20
331.2737427	0.18
427.8935547	0.08
469.1100464	0.36
478.2816162	0.03
489.2220459	0.21
491.6820679	0.12
501.5314941	0.34
511.2360840	0.07
541.7047119	0.11
542.8936157	0.04
574.5885620	0.21
577.4570923	2.81
580.9855347	0.05
586.5841675	0.12
591.4641724	0.23
594.7644653	0.14
600.1574097	0.08
603.2223511	0.13
616.6754150	0.29
617.7428589	0.08
619.4495239	100.00
620.7168579	0.04
628.0549316	0.04
634.8883057	0.10
636.0737915	0.09
640.8594360	0.12
641.5419922	0.13
643.5652466	0.58
644.4128418	0.05
645.3008423	1.08
653.6021118	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	Lactulose
Peak:m/z	Relative Intensity
179.0872955	0.06
207.2351990	0.10
341.2272949	100.00
342.4356079	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	364.2682
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
118.8720779	15.18
121.2866898	6.54
123.0895309	2.25
141.9580078	7.35
146.8758392	8.18
148.100769	5.12
151.9640503	6.74
152.807663	10.24
174.894989	12.63
180.9709167	3.06
187.3786011	9.62
195.0100555	6.67
197.2092896	7.36
202.3839111	4.70
205.1254883	3.47
214.1430359	6.14
215.3366699	2.86
224.1436462	2.86
225.0701904	7.57
236.2942505	9.82
237.2788696	6.75
241.3246155	4.11
242.1657715	6.23
251.2208557	17.55
257.5499573	4.90
262.9485168	7.16
268.0722046	9.42
279.080658	5.75
283.2697144	5.12
288.5819702	13.20
294.1409302	4.49
303.9723511	8.20
313.3012085	4.08
314.7492371	17.49
315.8768921	7.97
318.1860657	11.23
322.3273926	12.29
322.9534912	12.27
328.2476196	19.38
332.7206421	2.44
340.7687378	10.74
345.5465088	15.78
346.2638855	100.00
347.2225037	72.68
355.5974121	23.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	557.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
213.0169678	0.19
215.0369415	0.34
221.1712341	0.14
233.1059113	0.12
242.8464355	0.12
261.0745239	0.73
261.9940796	0.67
274.4127808	0.41
295.9935303	0.52
297.0864868	0.07
301.3259888	0.21
304.9910889	0.23
317.9883423	0.41
320.3372192	0.09
321.2545166	0.18
327.4122925	0.32
329.4445801	0.40
336.0583496	0.10
337.0557251	0.20
363.2055664	31.17
366.3725586	0.21
371.3737183	0.24
376.0193481	0.33
377.2701416	0.08
381.2166138	2.59
386.6565552	0.05
395.1422119	6.79
406.8879395	0.22
410.1523438	0.33
411.0292969	0.21
416.1293945	0.52
423.3063354	0.78
424.1047974	1.01
425.0814819	1.07
452.0322266	1.48
452.9240112	0.39
459.0195312	1.14
467.1926880	0.60
475.1988525	0.49
476.0484009	0.52
479.4336548	0.34
484.6365967	0.18
495.9486694	0.57
497.1793823	1.09
501.0513306	0.36
504.6074219	0.45
511.1311646	0.30
521.4887695	0.16
522.3455811	0.71
526.6738892	0.15
539.1688843	100.00
540.3259888	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	516.1569
Annotation	Piperacillin
Peak:m/z	Relative Intensity
150.9773865	0.10
156.9714203	0.80
160.9281921	0.17
179.0519714	1.19
198.3200073	0.08
221.0817566	0.58
238.0721741	0.06
249.0821838	0.39
257.0548401	0.03
275.2120972	0.91
276.0176392	0.04
293.1735840	66.27
319.3437500	0.36
329.1659546	0.03
330.1618652	0.05
337.0963745	100.00
341.2764893	0.14
342.7726440	0.05
354.0175781	0.09
370.3479614	0.05
383.9119873	0.07
426.2881470	0.07
436.1196899	0.03
440.0310059	0.06
452.3209229	0.10
469.6098633	0.28
472.3903198	0.47
474.6738892	0.05
498.4148560	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	585.2185
Annotation	Laciniatoside V
Peak:m/z	Relative Intensity
165.0782013	0.09
181.1231384	0.08
195.0112915	0.41
221.1399689	0.11
227.2002563	0.14
240.9719238	0.08
242.9743958	0.30
289.1699219	0.18
300.6566162	0.21
329.2287598	17.90
343.3731079	0.30
347.0493164	0.22
357.2551880	0.09
359.1733398	0.24
368.6533813	0.10
375.2736816	0.23
377.1277466	100.00
377.7513428	0.17
379.2504272	0.44
387.3230591	0.25
389.2598877	0.30
394.2449951	0.12
401.2661743	0.10
413.2288208	0.29
421.2509155	0.12
422.3181152	0.46
423.3192139	0.35
443.3346558	0.08
446.1194458	0.28
462.8550415	0.93
465.1837769	0.15
469.5538940	0.18
473.2187500	0.22
479.0127563	0.31
481.2977905	0.38
488.4463501	0.11
492.0062256	0.10
494.5791626	0.24
495.4026489	0.15
497.2367554	0.42
499.2272339	0.23
504.1965942	0.37
506.3592529	0.05
521.5321045	0.10
525.2578125	0.09
531.5964966	0.15
535.4581909	0.13
537.2556763	9.66
538.7310181	4.92
539.4349976	0.08
541.0552979	0.20
541.6723022	0.08
547.3075562	0.37
549.4721069	0.21
554.8919067	0.24
566.2874146	0.17
567.5100708	0.62
571.9509888	0.08
585.0404663	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.2779
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
139.9856567	0.13
153.2673950	0.02
196.0051117	1.69
214.1360931	1.39
237.4764099	0.06
255.2710876	100.00
279.1067505	0.02
391.3730164	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	474.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
144.8232269	3.67
155.9375610	0.29
162.8330078	4.75
253.0756836	0.30
258.7323303	8.93
270.8711243	0.18
276.3518372	0.88
277.0244141	1.66
288.8513184	13.89
292.1785278	0.26
293.9602966	67.16
297.4787598	0.14
305.1317749	1.03
306.7998962	5.63
311.8551636	100.00
323.2442627	1.40
324.9994812	39.55
326.9931946	0.76
341.5357056	0.27
342.8591614	3.14
415.4317017	0.72
430.2391663	0.68
439.3252563	0.22
455.5533752	0.73
456.2106934	2.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	685.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1219330	0.26
217.0548706	2.34
259.1430054	0.40
285.1627808	0.17
301.0471191	0.05
303.0700684	6.74
321.0500488	5.92
341.1625366	0.74
342.0365601	0.95
343.1984253	0.62
345.1364136	5.88
363.1329346	4.22
368.3987427	0.22
373.6737671	0.06
378.2880249	0.11
392.9913330	0.10
405.3040161	0.03
423.3928223	0.20
435.2009277	0.14
437.2540894	1.14
443.3886108	0.05
478.5758057	0.62
479.3016968	4.08
492.0953369	0.04
493.2833252	0.25
497.2510376	2.41
509.1310425	0.52
521.2398071	15.84
527.2253418	0.64
537.4741211	0.11
539.2063599	7.49
581.2294312	13.28
605.1157227	0.08
607.3386841	0.11
612.3825073	0.08
623.3479614	0.35
625.2725220	100.00
643.3218384	0.38
667.1929932	72.48
667.9342651	0.11
676.4419556	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	195.09
Annotation	Caffeine
Peak:m/z	Relative Intensity
58.16682816	0.13
77.22305298	0.51
86.77546692	0.28
88.88877869	2.31
106.8314667	1.16
110.0466766	2.88
116.7398529	0.20
121.0844574	0.16
125.0097809	0.42
132.9390259	5.34
135.2532806	0.94
138.0670776	100.00
138.870224	0.09
148.9208527	1.06
151.100296	4.28
153.5048981	0.32
159.0535889	0.27
160.2347565	0.42
163.1208496	1.84
167.1361694	1.05
171.6407928	0.84
175.1319122	0.14
177.0513153	7.00
178.0024567	0.78
180.1695404	0.13
195.0217896	0.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
92.94387054	0.12
94.97702789	0.85
97.03369904	0.71
100.293869	0.14
104.9847717	0.56
109.1916962	0.71
110.9931793	0.85
121.2842865	1.21
123.0436783	1.48
124.8426971	0.57
127.0698929	0.79
129.010498	0.13
135.1233521	1.37
137.0128784	1.59
139.0812073	1.07
141.0349579	2.04
143.0222473	1.37
148.9744873	0.72
150.997879	0.80
152.9469604	1.40
155.6292877	0.34
157.2209473	0.08
160.9423523	0.69
165.3164978	0.84
165.976944	0.21
169.1970825	0.51
171.1691284	0.45
173.1515808	0.64
176.0258789	0.10
176.7916412	0.48
179.1204529	0.64
180.8478699	0.13
183.0772247	4.63
184.9588928	2.32
186.2560883	0.12
189.21521	0.24
191.0636902	0.90
192.805481	0.27
193.4304199	0.09
195.2064972	0.54
197.1364288	4.28
198.9627075	0.73
201.2371216	0.34
203.1930542	2.14
205.2690125	0.89
207.2360535	0.63
209.1065063	0.48
211.0915833	2.82
213.2715454	2.02
215.1374512	0.10
219.2097168	1.91
221.1082153	3.23
222.7765198	2.47
225.1038208	1.35
227.1776123	1.93
228.9987183	1.25
231.1171875	0.90
233.1795959	4.01
235.4407043	0.22
237.2272339	8.94
239.1782227	9.64
243.1953735	3.07
251.1714478	3.78
253.1681213	1.91
255.2241211	1.78
256.0715027	0.96
257.1773987	1.42
261.1355286	4.97
268.1178894	0.17
269.2416382	0.44
273.9542847	0.22
276.3085327	1.04
277.388916	0.28
279.2314453	100.00
280.4414368	1.14
281.2553101	0.18
286.1759949	0.09
297.4977112	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	635.0883
Annotation	Gallotannin
Peak:m/z	Relative Intensity
209.0793915	0.01
217.0928955	0.01
232.9129791	0.01
235.1266785	0.02
240.9995575	0.01
242.5034332	0.02
271.1879578	0.14
277.1474304	0.01
278.3003235	0.01
289.3763123	0.02
295.2232056	0.11
296.4353027	0.02
302.2062988	0.01
303.3119812	0.01
309.5807800	0.02
311.2893677	0.01
313.2579041	0.33
314.2274780	0.06
321.2967834	0.01
327.3103027	0.01
331.2209473	0.27
332.2284241	0.18
359.0872803	0.01
361.1647339	0.04
388.6276245	0.01
391.4195557	0.01
393.2124634	0.03
405.4572754	0.01
423.4029541	0.13
438.3082886	0.03
439.0313110	0.01
443.5843506	0.01
447.2698364	0.14
448.2857666	0.03
453.0869141	0.02
462.4574585	0.02
465.1769409	100.00
466.1961060	23.21
467.3984375	0.04
468.5637207	0.02
471.2149658	0.01
473.1832275	0.02
474.2667847	0.04
479.4168091	0.02
483.1543579	8.52
484.1234741	2.72
496.2492676	0.01
497.2904663	0.26
498.3466187	0.04
501.3506470	0.10
502.3564453	0.02
503.4165039	0.02
505.2481689	0.01
512.2221069	0.02
515.1535034	0.01
517.5560913	0.01
519.2481079	0.04
530.2623901	0.04
532.2323608	0.03
543.5487061	0.03
545.3421631	0.22
546.1510010	0.02
547.6856079	0.01
555.5051880	0.02
556.4756470	0.06
561.3902588	0.02
573.2894897	0.08
574.9569702	0.01
587.4603882	0.02
589.2636719	0.21
590.5357056	0.06
591.3234863	0.13
592.3391724	0.07
600.5181885	0.01
603.3938599	0.02
604.3182373	0.06
608.1642456	0.04
610.6471558	0.01
616.5676880	0.08
617.3170776	0.10
618.4884033	0.03
625.9390869	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
110.8623734	69.71
154.9320374	0.26
172.8801270	100.00
179.0422058	0.57
191.0283203	1.69
293.1352234	0.77
334.9562378	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	735.4632
Annotation	Dolabelide D
Peak:m/z	Relative Intensity
235.1980438	0.07
242.9183044	0.72
250.4325256	0.85
253.2951050	0.50
269.1146851	0.43
290.8877869	0.08
309.3424072	0.06
311.1995239	0.25
325.0717163	0.28
329.4720459	0.65
339.4310913	2.42
353.0308838	0.58
395.7580566	0.20
397.1138306	0.29
403.6884155	0.05
413.6535034	0.41
417.3534546	0.32
419.5982666	0.53
425.3583374	0.17
434.6358032	0.41
436.2745361	0.07
447.2201538	0.36
453.2581787	100.00
454.3083496	2.88
473.7958984	0.23
477.3176270	0.32
483.1325073	0.17
488.4269409	0.21
490.3542480	0.18
501.3034668	0.32
511.4097290	0.10
514.5032959	0.25
520.9104004	0.49
523.4259033	72.36
524.5296021	1.81
527.1229248	0.07
537.6652222	0.35
547.4176636	0.17
555.5028076	0.27
562.7075195	0.06
568.4608154	0.26
573.5126343	1.83
575.8787231	0.43
580.6567993	0.38
582.8735962	0.12
592.8187256	0.13
599.7979736	0.17
601.1452026	0.15
615.5354614	0.31
619.6798706	0.07
626.2969360	0.23
632.5531006	0.62
635.8077393	0.15
641.5510864	0.21
647.0399780	0.48
649.7055054	0.48
654.1260986	1.47
663.6328125	0.12
667.4491577	0.13
675.9522095	0.29
681.5295410	0.38
685.4804077	1.90
689.1733398	0.63
695.3387451	0.18
698.8604126	0.11
699.5694580	0.49
703.2837524	0.32
704.3070068	0.63
707.4931030	0.52
716.0211792	0.20
716.7264404	0.21
717.8882446	0.44
734.8240967	0.33
735.7606812	0.30
736.7817993	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
98.77332306	0.37
108.0400085	0.09
109.0130463	0.21
111.0223389	0.89
113.0613861	0.69
113.9525757	0.10
114.5783234	0.23
123.2722702	0.35
125.0499725	0.54
133.1358185	0.11
134.8946991	0.54
137.1798096	0.51
139.1874695	1.78
140.975708	1.70
142.8015747	0.29
145.0671539	0.52
146.839447	0.44
149.0519104	0.68
150.77005	0.20
153.0679321	0.35
155.0094299	0.31
156.6425934	0.40
161.3095398	0.12
161.9665375	0.08
162.5939331	0.09
163.219986	0.14
165.2671356	0.59
167.0400391	1.93
168.9797668	1.44
171.4224548	0.81
173.3027649	0.51
175.2165375	0.45
177.170929	0.87
178.9469452	0.20
181.9798584	0.12
183.0361938	2.19
185.1064758	1.27
186.8204346	0.72
195.4316254	0.12
197.0315094	5.77
199.0498657	0.09
200.6063232	0.65
201.2678528	0.70
203.1564331	2.45
209.2045898	0.28
211.0686646	1.26
213.2646484	0.69
215.1307678	0.42
216.9922485	0.23
219.1307678	1.61
221.112793	0.81
223.0640259	0.16
225.1552429	2.01
227.126709	0.53
233.240509	2.39
237.111969	1.93
239.1290283	9.28
241.1425171	0.55
243.1832886	1.36
251.2886353	1.83
253.1654663	1.27
255.191864	2.40
256.0874329	0.22
257.025238	1.32
261.315979	5.41
267.8661194	0.13
269.3069153	0.18
274.758606	0.21
279.228363	100.00
281.3440552	0.58
282.3129883	0.38
288.1268311	1.99
288.7634888	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	716.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
224.0678406	0.13
232.0193481	0.09
238.0568542	0.18
255.0606384	0.07
266.0687561	0.18
274.2015381	0.03
278.2476501	0.05
282.0413208	0.56
289.9172363	0.06
291.8933105	0.25
293.9506531	0.04
295.8697815	0.06
303.7242432	0.03
312.1029968	0.04
313.0919800	0.03
322.9550781	0.06
324.1346436	0.76
326.0682373	0.14
331.3533936	0.09
335.9600830	0.10
354.0220947	0.20
365.9193726	0.14
375.0867310	0.04
382.5068359	0.04
383.4723511	0.10
384.1368408	3.38
385.1353149	0.22
386.2040405	0.04
389.1914062	0.02
402.1770020	0.10
408.1165771	0.02
417.1907959	0.03
418.9487305	0.04
434.1990356	0.07
439.2247314	0.01
442.1363525	0.73
444.0731812	100.00
445.0842285	0.37
445.7557373	0.02
455.9922485	0.10
464.0947266	0.08
470.1250000	0.03
472.7591553	0.11
474.1004028	0.34
477.0202026	0.02
493.1420898	0.04
494.2121582	0.19
503.4017334	0.14
504.0718384	0.07
505.2672729	0.02
509.1023560	0.05
536.1696167	0.81
537.0880127	0.14
546.0768433	0.85
547.1298828	0.10
552.3071899	0.14
553.3864136	0.48
554.1410522	2.60
554.7708130	0.04
563.3613281	0.15
564.2454224	1.52
566.1894531	0.07
594.1074829	0.02
595.9819946	0.26
597.1231079	0.25
598.1564331	0.15
626.0278320	1.10
628.2310181	0.02
639.4577026	0.04
653.3187866	0.03
656.1423950	12.68
657.0662842	0.56
657.8756104	0.07
658.5115356	0.08
698.1513672	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
146.1788940	0.24
148.9430084	100.00
163.9055634	0.47
315.2679443	0.10
341.3037109	0.36
395.7890625	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	712.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
207.0984497	0.04
246.6936493	0.07
255.2374420	0.04
256.7186279	0.03
258.8952332	0.14
271.4527588	0.09
276.9403687	0.35
280.1831665	0.68
288.9971924	3.49
289.8260193	0.04
293.9382935	0.04
294.9771729	0.34
305.7390747	0.01
306.7534180	0.50
319.0778809	0.09
323.3611755	0.04
324.7847595	2.80
336.3400879	0.15
342.8324585	1.16
354.8099976	0.14
360.7948608	0.13
368.1394043	0.03
370.0767822	15.67
370.7228394	0.42
371.9855957	0.11
374.0998535	0.03
375.8556519	0.11
377.1188354	0.08
379.0234375	0.16
391.6451416	0.03
395.1017456	0.08
395.7265015	0.05
397.0394897	1.07
405.0577393	0.04
415.3474121	0.10
451.1564331	0.86
451.7766724	0.19
456.2592773	0.13
456.9917603	0.49
459.5125122	0.38
460.1328125	1.56
464.3419800	0.04
486.7081299	0.28
487.3253784	0.16
494.7635498	0.04
514.9780273	0.03
516.9971924	0.84
530.7003784	0.03
532.8005371	0.11
537.9616699	0.09
541.1255493	100.00
541.8253174	1.55
543.2357788	0.48
544.1868286	0.24
546.2651978	0.26
547.0303955	0.07
550.0183105	0.51
551.1053467	0.07
558.8425903	0.47
576.4366455	0.19
577.1445923	3.35
592.4779663	0.06
622.0302124	0.27
649.4338379	0.03
657.7949829	0.07
679.0623169	0.05
694.1939087	0.26
737.0444946	0.34
739.0443726	21.88
739.7338257	0.42
918.8425903	0.04
1080.9267580	0.38
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
111.4068832	0.94
124.7958755	0.98
127.0199966	0.24
129.0380554	0.74
132.8316345	1.14
134.9454346	0.87
137.1659546	0.54
140.8683472	0.21
143.1733398	0.19
147.119812	1.65
149.121521	0.23
151.0129852	0.72
151.8743896	0.30
152.8751526	1.83
156.9499969	0.85
159.2330322	0.34
160.8845673	0.28
167.091507	1.00
169.1968079	0.29
177.1262512	1.30
179.0331879	0.71
181.0575256	1.90
187.314209	1.25
189.6665649	0.76
191.0258942	0.29
193.3744965	0.17
194.0195312	0.57
195.0834656	3.18
197.1802673	2.68
199.1108398	0.81
205.1695862	0.13
207.0403748	0.41
209.0960083	0.19
211.256073	2.95
213.2327576	0.57
215.1311646	1.88
221.2554016	0.25
223.108551	0.23
224.2115479	0.78
225.1592102	0.24
226.085144	0.40
227.1516418	0.17
229.1546021	1.11
233.293396	0.59
235.2535706	0.37
237.0375977	0.55
239.0419006	2.90
251.000885	6.00
253.0786743	3.41
255.2096863	0.55
257.2513428	0.31
259.1589661	0.96
265.0157166	1.47
267.2800598	1.10
269.2052917	1.50
270.1485291	2.78
275.1480103	12.12
280.0506897	1.04
281.3088684	0.23
282.5518188	0.73
283.2794495	3.75
293.204834	100.00
294.1778259	0.99
301.6406555	0.62
303.6668701	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	562.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
263.0618286	0.10
277.4100342	0.56
278.2248535	0.07
279.3378906	0.06
300.8000488	0.08
302.9575195	0.03
323.1123047	0.04
381.4668579	0.09
410.1784058	0.04
412.1351929	0.15
421.3895874	0.08
429.2597656	0.06
446.2869873	0.12
459.7382812	0.08
466.1127930	0.05
470.4328613	0.22
472.4724731	0.04
475.2761230	0.08
476.4972534	0.08
477.1466675	0.05
478.1418457	0.11
479.3183594	0.06
484.3328857	0.09
486.5788574	0.23
488.1345825	0.02
490.5571899	0.06
502.3641968	100.00
503.3590088	0.12
507.4177856	0.11
508.3821411	0.02
516.4680786	0.19
517.3024902	0.17
518.2931519	0.12
519.3378296	0.08
520.4050903	0.07
526.0836792	0.07
529.0087891	0.15
542.7130737	0.06
543.5328979	0.33
544.3818970	0.25
548.5219727	0.05
552.9052124	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.2777
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
142.6789093	0.10
153.0794830	0.16
177.0108337	0.10
196.0233154	1.56
214.1346741	1.56
226.8290253	0.06
228.7164307	0.09
239.2216187	0.10
261.3867493	0.09
262.9339600	0.18
269.9765930	0.08
279.2454834	100.00
282.2881775	0.04
316.1421509	0.17
328.3391113	0.06
346.4562683	0.12
367.6447754	0.15
371.8456421	0.07
389.0170898	0.05
395.5739441	0.19
400.6957397	0.16
403.4778442	0.16
414.2925110	0.17
430.3348694	0.80
432.2959595	0.27
433.0552979	0.05
434.2632141	0.04
438.0652771	0.14
439.1158142	0.16
441.3777771	0.41
444.7420044	0.08
446.0928955	0.14
457.8076477	1.35
458.8969421	0.90
460.3898621	0.30
461.2457581	0.27
462.4735413	0.08
468.3017273	0.32
476.5743713	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	423.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
123.0851059	0.01
125.0664597	0.31
126.1424026	0.06
143.2945251	0.04
151.0462036	0.02
164.5425568	0.00
169.0580444	1.09
170.0091705	0.09
170.6244049	0.01
179.1179504	0.06
181.1787720	0.82
182.2718201	0.19
187.2851105	0.05
199.1971741	6.23
200.1456451	1.02
201.1014862	0.06
201.8653870	0.01
207.0505676	0.04
214.7726440	0.03
220.2338257	0.03
221.2196960	0.01
225.1028900	1.84
226.2336426	0.30
243.1083984	100.00
244.2124023	14.32
261.2233276	1.67
262.2315063	0.11
267.1977844	0.04
269.1531372	0.03
270.8520203	0.01
273.1830139	0.02
283.2537537	0.02
285.1261597	0.02
286.2649536	0.01
290.4728088	0.02
296.4396667	0.01
303.2268677	0.15
304.2091370	0.04
309.2958069	0.05
319.2543030	0.05
320.0695801	0.02
327.0079651	0.02
333.0411072	0.08
337.4031982	0.02
346.4458923	0.02
348.2219543	0.01
349.0170593	0.21
351.0715332	0.03
352.7676392	0.02
361.2919617	0.03
363.2918396	0.14
364.5126648	0.01
365.1396790	0.02
375.0508728	0.04
376.4076233	0.02
377.8324890	0.04
380.2642517	0.04
382.5867615	0.01
386.2715149	0.01
388.2229309	0.04
393.4261475	0.01
404.5555115	0.03
405.3459778	0.11
406.2584839	0.05
407.8984070	0.02
408.9547424	0.01
414.5712585	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1141
Annotation	Abu-TyrMe-OH
Peak:m/z	Relative Intensity
148.9020538	0.10
191.0677948	0.08
225.1201172	0.06
261.3165894	0.06
270.220459	0.20
273.2340088	0.21
295.0558167	0.08
297.0764771	0.09
301.1381226	0.15
312.1033325	0.11
341.1211243	14.62
342.1697998	22.78
343.1273193	100.00
343.8318176	0.14
345.0455933	0.15
359.3482361	0.21
371.3513489	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	460.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
133.9489899	0.20
144.7866974	5.23
159.9091949	0.73
162.8613892	9.64
178.0950928	1.51
187.0101166	0.20
210.5685120	0.65
235.0869141	0.66
246.4343567	0.28
258.4152527	1.99
259.0876770	7.80
261.8747559	0.37
269.1280518	0.22
271.0627136	0.67
276.0263062	1.36
276.9109192	3.06
279.3756714	15.98
280.0508118	70.61
288.2137756	7.78
289.0188904	32.37
291.1430054	1.31
293.9362793	0.30
297.2413940	8.47
297.9545898	100.00
304.0596924	0.33
305.6257935	1.70
306.9000549	6.97
309.1884766	0.33
310.4764099	0.41
316.1051025	0.46
322.0141602	1.76
322.7428284	0.33
324.4707642	12.46
325.0986023	55.38
342.6070557	1.86
343.2158813	2.97
350.5487671	0.20
353.1855774	0.17
354.1967773	0.58
355.0667114	1.01
359.2637329	0.89
362.6314697	0.80
370.1868896	14.26
371.2817993	1.33
388.2696228	1.28
393.1096497	0.28
397.0743103	0.28
413.3802185	0.74
414.3202209	0.35
415.5702209	1.10
423.0415344	1.85
441.1979065	1.64
442.0743713	6.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2497
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
105.0726471	0.08
106.9815369	0.46
109.0091324	0.77
110.9027176	0.21
116.9950943	0.07
119.199852	0.08
121.0043716	0.74
122.9534149	0.78
124.9851379	0.04
128.8955841	0.31
131.0535431	0.24
133.0073853	0.42
135.0410767	1.74
136.8343506	0.15
142.9828796	0.12
145.0502319	0.26
146.9967651	0.89
149.0603943	1.16
150.9578857	0.17
153.2363892	0.24
155.1960754	0.07
157.1108398	0.57
161.0033264	1.21
163.2362061	0.15
165.0723114	0.33
167.0404358	0.05
168.9082031	0.65
170.9141541	0.70
172.9278107	0.86
175.1229095	1.81
177.0067139	0.16
179.3483582	0.09
183.0419006	0.26
185.0414429	0.43
187.0122681	1.78
189.0450592	0.47
191.139801	0.37
197.0679932	0.24
199.1513977	0.53
200.9893341	0.59
202.2256317	0.38
203.0404663	0.83
205.3405151	0.53
207.3616333	0.29
209.312561	0.35
210.9981995	0.38
212.0484619	0.15
213.2530518	0.29
215.0991821	0.19
217.1284485	1.20
221.1858215	0.22
223.1890259	0.91
225.3459473	0.05
226.9502563	0.10
229.3400269	0.10
231.1402588	1.75
235.1255493	0.48
239.2202759	0.39
241.2593994	0.92
243.2103271	0.29
245.1449585	1.76
247.2998047	4.71
248.7563171	0.09
249.6834412	0.25
250.6888733	0.53
255.3147888	0.12
257.3581238	0.64
259.0845337	0.56
265.4829712	0.12
266.8249512	0.22
267.4399719	0.35
269.1327209	0.10
271.1953735	0.20
276.7158203	0.04
277.9104614	0.30
279.104126	0.07
281.1366577	0.12
283.1975403	0.17
285.2888794	0.60
287.4749451	0.04
295.3034058	0.52
296.4659119	0.28
297.3716431	0.31
298.0997314	0.29
299.3840027	0.61
300.135376	0.05
300.7590942	0.04
305.2268982	1.90
306.116333	0.18
313.1751709	0.41
317.5283508	0.15
318.1304932	0.06
323.2407227	100.00
323.9360352	1.17
341.2409973	2.26
342.5684509	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	675.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
190.9945679	6.92
210.9952850	0.02
232.2217255	0.03
253.0958252	0.10
255.1870117	0.06
271.2565918	0.09
298.7417297	0.06
325.2651367	0.07
331.2233887	1.39
332.1503296	0.39
333.0155029	0.06
341.3101807	0.01
343.0685425	100.00
343.6760254	0.25
519.3604736	0.06
525.2846069	0.05
536.4036865	0.03
592.5699463	0.03
622.1333618	0.05
627.2689209	0.15
630.2996826	0.06
639.2368774	0.04
654.1561279	0.03
656.1331787	0.04
657.5220337	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	563.234
Annotation	Cinnamoside
Peak:m/z	Relative Intensity
205.2815704	0.02
385.1229248	0.03
477.4444580	0.02
517.2488403	100.00
518.3471680	4.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
84.80287933	0.04
90.98455048	0.29
94.89141846	0.43
96.83869934	0.69
98.98270416	0.28
107.1898193	0.22
109.0513153	0.77
110.9951782	0.17
112.9931793	0.49
117.1655426	0.23
118.8318634	0.19
121.0427704	0.73
123.0646362	0.29
125.0232925	0.49
130.9750061	0.48
136.9471436	0.15
138.9590454	2.68
142.8536072	0.27
147.0308533	0.17
149.0097961	0.35
151.0597839	0.05
153.0216064	1.70
154.8941345	0.73
157.0577393	0.37
159.2276306	0.26
160.9250336	0.14
162.9756775	0.41
165.1073151	0.18
167.102951	0.18
169.0839996	0.90
171.1748199	1.05
173.0581665	0.33
175.1049042	0.20
177.3644714	0.17
179.0249634	0.31
181.1963501	0.53
182.9911957	0.55
184.9885559	0.12
193.1149445	0.61
195.1845398	0.99
197.0827942	4.97
198.9406738	0.30
203.1474609	0.79
205.0465698	0.20
209.0522766	0.41
211.1381531	2.05
213.1585388	0.11
215.2439575	0.44
219.1594849	0.25
220.5461121	0.10
221.1644287	3.26
223.2243347	0.20
225.352478	0.36
227.0588379	0.54
228.9899597	0.32
233.1336365	1.47
235.2779541	0.08
237.2844849	1.86
239.1858215	8.87
240.0979004	0.19
241.0867615	0.14
243.2045288	1.25
251.2005615	0.94
252.2488708	0.62
253.2446289	0.95
254.0446167	0.76
255.2270813	1.06
257.0959778	1.38
261.1877136	2.79
267.0963135	0.34
269.1954346	0.14
274.3174133	0.26
279.2333984	100.00
282.2694702	0.71
297.0981445	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	544.55
Annotation	Unknow
Peak:m/z	Relative Intensity
159.3272247	0.03
167.0060120	0.41
169.0422363	1.78
169.9485321	0.09
170.8093567	0.02
178.4432068	0.07
186.9478149	0.03
210.9601898	0.04
246.2387695	0.02
251.3651886	0.13
258.3174744	0.03
272.7777710	0.07
275.2135010	2.09
276.1819458	0.28
277.3448486	0.02
294.9707642	0.10
301.0390625	13.39
302.1788940	2.26
303.2788696	0.03
314.4013672	0.06
316.1903687	0.05
317.6919556	0.52
319.0727539	11.85
320.1387939	0.96
321.2420044	0.13
334.1942749	0.04
338.2073975	0.01
343.2953491	0.16
346.1367798	0.07
347.0575562	0.05
364.3968506	0.01
372.5210571	0.05
373.9582520	0.04
381.9621582	0.10
383.1976929	0.70
384.0360718	0.27
384.8198242	0.10
385.5157471	0.02
386.1211548	0.05
392.2470093	3.20
393.2283325	0.11
394.0147095	0.03
396.2203979	0.04
397.1898193	0.07
403.1731567	0.07
407.2883911	0.10
410.8439331	0.32
427.1765137	0.10
429.4824829	0.06
430.3696899	0.07
431.1604614	0.03
432.0759888	0.07
438.0057373	0.24
446.2487793	1.36
447.0973511	0.17
448.1772461	0.23
450.2335205	0.22
452.7912598	0.42
454.5838623	0.13
459.2792358	9.59
460.2767944	0.71
461.6343384	0.56
465.1895752	0.14
466.1091309	0.05
468.3081665	100.00
469.1437988	6.57
470.0462036	0.26
470.8587646	0.08
471.9882202	0.17
475.1234131	0.05
477.0494385	0.03
481.6122437	0.15
482.3993530	0.41
483.2448120	0.06
483.9393921	0.18
490.5086060	0.02
495.6613770	0.21
498.1517944	0.92
500.3777466	0.11
501.5932617	0.12
508.3566284	0.26
513.2607422	0.19
520.6814575	0.21
522.3037720	8.62
523.1691895	0.18
524.9407349	0.04
526.0301514	0.50
526.8011475	0.12
535.2611694	13.65
536.3084106	0.10
537.9537354	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	533.1871
Annotation	Isosyringinoside
Peak:m/z	Relative Intensity
160.9718323	0.13
191.0576782	1.00
193.1965179	0.09
215.0426178	0.07
233.0074158	0.72
238.2983246	0.24
256.2297974	0.47
271.2834473	0.11
293.2126465	64.79
297.2852173	0.82
311.2157593	0.12
315.0205688	0.22
327.2351074	1.12
329.0386963	0.07
338.1770630	0.63
339.3661499	0.08
341.2784424	2.09
353.2754517	9.52
371.1536255	5.55
371.7604980	0.04
381.1616211	0.19
383.1576538	0.05
395.2265625	1.45
397.0376587	0.32
399.6073608	0.34
400.3569946	0.08
404.2512817	0.09
411.2781372	0.07
412.3035278	0.83
413.1118774	0.11
427.1885376	0.14
431.4395752	0.05
444.1749268	0.30
446.8508301	0.28
457.1055908	0.50
457.7111206	0.12
458.9951172	0.09
461.3527832	0.22
473.1727295	0.12
477.0732422	0.04
486.3919067	10.25
487.0283813	100.00
487.6700439	0.27
489.3802490	1.25
501.3989868	0.37
502.3497314	0.13
503.3081665	0.32
510.9945679	0.15
514.9305420	0.68
515.5365601	0.20
518.2169189	0.87
523.8683472	0.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	413.14
Annotation	t(6)a
Peak:m/z	Relative Intensity
119.1692505	0.14
136.0319519	0.24
162.0760193	1.03
177.2069397	0.16
185.1427307	0.09
187.5129242	0.30
189.1748047	0.30
226.0552063	0.08
231.2042236	0.31
231.92276	0.29
244.8747864	0.48
247.0351257	0.11
251.2072754	0.06
257.0610352	0.15
261.4684448	0.36
267.0836792	1.66
267.9705505	2.92
269.3085632	0.14
277.1631775	0.06
281.0901794	100.00
286.4129944	0.30
289.2181091	0.62
294.1998596	0.76
296.2493896	0.10
297.2966919	0.12
309.0936584	0.36
311.5202637	0.22
319.1395264	0.18
321.3290405	0.33
329.1118774	0.62
333.0686646	0.11
341.0128479	0.34
346.8493652	0.06
348.1917725	0.15
349.2392273	0.11
351.1395569	0.32
353.1161499	0.15
353.7580261	0.42
355.3526611	0.07
356.8598328	0.30
358.3455505	0.13
359.2745056	0.77
367.0931396	0.48
368.9354553	0.14
371.7812195	0.46
376.9655151	0.11
378.3532104	1.09
383.0426636	0.62
392.8327942	0.32
394.618866	1.16
395.2695923	3.10
403.2457581	0.73
404.1352234	0.21
406.4340515	0.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	589.07
Annotation	Unknow
Peak:m/z	Relative Intensity
170.9928284	0.15
181.2421570	0.07
191.0868378	0.14
198.0297394	0.13
199.0051117	0.22
201.0363770	0.23
210.8614960	0.18
217.2257233	0.40
226.8824768	0.15
234.9540100	0.31
241.0488281	0.23
243.8960724	0.20
255.1200256	0.15
261.1979980	0.14
262.7562561	0.26
276.9972534	10.81
288.8009644	0.79
294.9550781	1.08
300.0393066	0.13
301.1295776	0.31
303.0394897	1.33
305.0906372	0.59
306.2665710	1.43
307.0424805	17.24
309.2388916	0.28
318.9561768	3.19
321.1943359	0.31
324.9591064	1.43
331.1916504	0.25
336.8859253	6.51
343.1230469	0.62
346.9602661	2.23
349.1184082	0.96
350.0357666	0.13
354.8393555	0.49
357.3344727	0.23
361.0764160	0.82
364.1482544	0.89
365.2227173	0.96
367.0097656	22.73
373.0234375	2.70
377.2307129	0.13
378.9855347	1.62
380.0889893	0.28
381.9989624	4.77
382.9447021	0.97
391.0625610	12.24
395.2316895	0.09
396.9661255	22.92
397.9969482	0.49
407.9763794	5.63
409.0505981	56.40
420.9533081	0.44
425.7928467	12.54
426.9847412	100.00
427.6717529	0.15
435.7261353	0.34
438.4155273	0.14
450.6729736	0.19
454.3181763	0.17
456.9679565	0.34
457.9811401	0.10
461.1526489	0.22
469.0864258	0.45
488.0345459	0.09
496.0277100	0.12
497.7880249	0.10
498.7886963	2.15
506.8422241	0.11
508.0650024	0.23
517.0130005	0.55
544.0689087	30.79
545.1130371	10.90
551.7610474	0.39
552.8725586	0.08
553.9320068	0.64
570.9295654	9.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	461.1662
Annotation	Verbasoside
Peak:m/z	Relative Intensity
130.9170380	0.30
139.2089996	0.10
143.0908203	0.43
149.0218964	6.07
151.2329712	0.25
160.7369690	1.24
167.2546539	0.29
173.0303650	0.15
179.1416931	0.64
180.3378448	0.07
191.0274963	1.73
193.4433899	0.11
195.0230408	0.44
196.1922302	0.18
210.9777069	0.62
220.6506958	5.87
221.2600250	0.09
228.6593170	0.30
235.0005798	0.34
238.8923340	0.16
250.8808289	1.92
253.1288452	0.20
263.0526428	0.48
272.2559509	0.18
274.1449585	0.12
274.9467773	0.49
278.2203674	0.31
281.0399170	1.83
283.1589050	0.24
293.0435181	1.50
299.0618896	2.45
305.2279663	0.13
309.3675537	0.20
310.4368896	1.08
311.1184998	9.60
323.1312256	0.20
325.4589233	0.07
329.2868347	0.13
330.1897888	0.14
330.8003235	0.94
339.2526550	0.11
340.4293213	0.08
341.2998657	0.25
343.4644165	0.20
349.3091431	0.41
357.1841125	0.12
364.2258911	0.10
365.2907104	1.07
371.1207581	0.62
373.1527710	0.34
377.5140076	0.16
381.1507568	0.12
385.1824951	0.79
388.0211792	0.13
388.8741455	0.05
399.2715759	0.67
401.7534485	0.29
406.2949829	0.68
412.3489685	0.04
413.4057007	0.30
415.1269531	100.00
415.7617188	0.43
416.8141785	0.82
417.5051270	1.35
424.0268250	0.24
425.2651062	0.56
438.7535706	0.48
443.3527527	0.82
447.1131897	0.22
452.3449707	0.41
460.8573608	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	469.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
161.9967499	0.07
166.9398651	0.15
169.0256042	14.52
170.0218811	1.22
171.1734619	0.09
209.1191559	0.03
236.1218567	0.20
259.1166077	0.15
276.1391296	0.13
277.1306152	0.06
279.0040283	0.03
281.0514526	0.10
286.2255859	0.14
290.1420593	0.07
295.2936707	0.16
297.0931396	0.12
308.3474121	1.80
309.2176514	0.10
317.1412354	4.90
317.7497253	2.38
318.3695984	0.32
322.0640259	0.10
353.0407410	0.05
355.2075806	0.10
361.2745972	0.05
362.3463135	0.18
367.3498840	0.14
384.2484741	7.18
385.2627563	0.34
393.3074951	100.00
394.2354736	4.29
396.5465393	0.02
403.1051941	0.16
429.6609192	0.19
432.1139832	0.07
447.2234497	1.61
448.5709534	0.05
451.1895752	0.02
460.1827087	0.03
465.1032104	0.05
495.1102905	0.14
511.2304993	0.05
512.0800171	0.06
555.3248291	0.33
556.2608643	0.09
573.3706665	0.17
599.3046265	0.86
599.9594727	0.46
601.2715454	0.47
602.3307495	0.28
617.1752319	6.87
618.2377930	3.45
619.5392456	0.52
681.6808472	0.11
725.2459717	0.41
726.1306763	0.07
769.1758423	40.21
770.1693726	15.29
771.1896362	3.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	537.9331
Annotation	Unknow
Peak:m/z	Relative Intensity
199.9627228	0.13
281.1168213	0.10
310.1341553	0.06
328.8971558	0.18
337.1041260	0.06
352.8394165	0.15
397.2840576	0.23
406.6151123	0.27
409.1306763	0.08
421.0755615	0.10
423.1304321	0.77
424.2858276	1.39
425.0180664	5.86
425.9838257	1.14
430.8702393	0.07
442.4519653	2.33
443.1952515	0.05
443.8924561	0.92
448.3345947	0.19
452.8143921	0.13
462.1550903	0.14
465.0626831	0.32
465.9588623	1.22
467.1477051	1.21
480.8599243	0.11
481.4770508	0.79
483.9734497	0.31
490.4711304	0.08
491.2282104	1.30
492.9532471	100.00
494.0863037	10.37
494.8804321	0.23
495.7897339	0.12
502.5953979	0.23
504.9441528	0.29
509.1798706	0.15
510.8701782	45.16
511.8823242	6.49
512.7124634	0.15
514.7407227	0.49
520.8010254	0.32
521.4417114	0.13
526.3703003	0.45
527.9116821	0.70
528.6913452	0.48
538.8906250	0.12
547.0034790	0.28
548.1387329	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	697.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
288.6354370	0.01
321.0694580	0.01
469.6000366	0.42
484.1884766	0.03
486.2030640	0.01
545.0947876	16.87
545.8135986	9.97
621.3242188	100.00
622.5883179	0.01
653.3640747	0.05
666.6010132	0.04
675.2827759	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	333.07
Annotation	Unknow
Peak:m/z	Relative Intensity
95.9022522	0.03
97.1151733	0.15
98.0661011	0.04
101.0863876	0.06
106.8026581	0.06
107.9192810	0.14
108.9529190	0.05
112.9854355	0.73
113.9219055	0.27
118.2036591	0.01
118.9878387	0.29
122.9338531	0.91
124.0739746	1.13
124.9892120	9.08
125.9968491	6.55
126.9755020	0.87
130.9286804	0.03
132.0076752	0.10
137.2929993	0.12
138.0666046	0.04
139.1585388	0.20
140.0491791	0.09
143.2809143	0.08
144.0917969	0.14
145.1181641	0.07
149.0419922	0.07
151.0226746	3.59
151.9970703	3.08
153.0891418	0.72
154.1582031	0.12
161.2513733	0.10
165.1858215	0.04
166.2427979	0.09
167.0777283	1.00
168.1624756	2.64
169.0272217	72.70
169.9883118	73.94
171.0778351	18.05
177.4151306	0.03
178.1957092	0.02
179.1615601	0.27
180.0905762	0.38
181.0944061	0.09
181.8861389	0.18
182.9930420	1.18
183.9783020	1.04
185.1971436	0.31
188.1092834	0.05
191.0520782	0.05
193.0394897	9.23
193.9987488	12.25
195.0332184	3.20
198.5654755	0.07
199.6466980	0.06
201.1099854	0.03
204.2003479	0.05
206.2499237	0.06
207.1913452	0.03
209.0346680	0.07
211.0166016	15.82
212.0673523	28.68
213.0839844	6.39
215.1121521	0.03
220.9917603	0.02
222.1536255	0.26
223.1382446	0.54
224.1320496	0.71
224.9186401	0.14
231.2218628	0.05
233.0034180	0.05
234.1467285	0.13
236.1635742	0.38
237.0483093	0.12
241.0104370	1.13
242.0210571	2.83
243.0201111	0.70
252.1729126	0.15
253.1286316	0.20
254.0004272	0.45
255.1820068	0.17
271.1040039	25.11
272.0635986	100.00
273.0741577	27.99
287.2061157	0.05
289.1619873	0.03
295.1329041	0.05
296.2000122	0.59
297.2753906	0.26
303.1477966	0.02
313.1165161	0.15
314.0941772	5.08
315.1479492	1.49
332.3916321	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	169.01
Annotation	2,4,6-Trihydroxybenzoic acid
Peak:m/z	Relative Intensity
107.0456390	0.04
124.9005127	100.00
151.0866394	0.03
154.1421967	0.16
168.9925995	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	646.2539
Annotation	Acarbose
Peak:m/z	Relative Intensity
201.9772034	0.36
220.1002808	4.31
227.7288666	0.57
265.6653137	0.42
298.2114258	0.23
324.4601440	0.30
325.6462402	0.37
334.3477783	0.36
352.2474365	4.94
355.4316406	0.47
379.3945312	0.41
382.3167725	23.67
413.7283936	0.34
484.5545044	0.85
499.1787720	0.39
514.2245483	100.00
514.8934937	0.82
531.9889526	0.89
533.8324585	0.39
574.9677734	0.26
610.4347534	0.25
628.2617188	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.2779
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
142.7708435	0.09
152.8445587	0.08
154.0287781	0.10
156.150589	0.06
164.8708649	0.04
167.9198303	0.09
184.1571045	0.07
193.1110229	0.16
196.1398468	1.17
200.9896698	0.04
206.8724518	0.21
211.7463684	0.10
213.0259857	0.10
214.1656189	1.52
243.2268219	0.07
244.4201508	0.07
251.4225464	0.11
256.0788269	0.09
261.5285645	0.07
270.2546082	0.13
276.2744446	0.06
277.5534668	0.11
279.2355652	100.00
279.841217	0.28
284.0569153	0.35
313.3473816	0.19
353.325592	0.15
360.174469	0.13
363.4346619	0.31
374.3553772	0.08
394.2302551	0.08
399.4841614	0.19
402.2009583	0.14
406.0915833	0.12
413.5436096	0.33
415.3913574	0.46
416.5107117	0.14
429.2784729	0.15
430.228241	0.08
431.2324219	0.22
432.355835	0.09
433.2446594	0.25
434.379303	0.07
438.3874207	0.07
442.252533	0.09
448.2400208	0.11
457.6604919	0.57
458.5610046	0.90
459.2626038	0.05
461.1161499	0.23
462.3836975	0.10
466.5062866	0.38
467.8165588	0.15
477.2919617	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	515.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
154.9641418	0.11
161.0440674	0.16
171.0919495	0.06
173.0324860	2.90
179.0567017	1.92
190.9171143	0.03
280.8130493	0.02
335.3547363	0.01
341.1381836	100.00
352.9301147	0.01
376.9329224	0.07
380.9747314	0.31
424.9598389	0.03
468.5006714	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
128.8130188	0.57
150.0258484	0.27
151.0763245	0.52
159.2089539	0.34
169.2433777	0.20
173.1461792	0.96
183.1114197	0.10
184.9790649	0.14
195.2213745	0.45
199.0731964	1.60
201.1907043	0.80
202.1854095	0.11
203.3167877	1.02
211.0116882	1.56
213.1001587	0.50
215.3602905	0.35
226.8681946	0.29
229.1635437	1.27
231.2873535	0.52
241.0925598	0.54
243.2703247	2.81
245.4500122	1.65
251.4268799	0.18
255.2947998	0.45
257.0560303	1.00
259.302948	0.37
263.4995728	1.37
266.2486572	0.41
269.109436	0.83
271.2982788	4.63
275.2691956	0.15
283.2094727	1.08
285.2318115	6.67
296.2023926	0.25
297.1200867	3.41
297.749115	0.59
299.358429	2.69
309.1061401	0.83
310.39505	0.36
311.3806152	2.99
313.2692871	3.13
315.3880615	3.00
321.3615417	1.23
322.2357178	0.19
323.2567749	11.45
325.2583923	0.44
329.0821228	0.49
334.1195679	0.26
339.2543945	100.00
341.3013	18.45
349.2120056	0.46
357.1377258	0.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	511.2394
Annotation	Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
149.0144653	2.10
159.1744690	0.03
161.0459290	0.08
172.0052643	0.06
178.9006805	0.45
182.9710083	0.04
191.0661621	0.35
220.7057190	1.54
221.4377441	0.04
238.6095886	0.04
240.4735565	0.05
251.0252380	0.99
257.3198547	0.10
263.0737915	0.18
275.1715088	0.13
281.1209412	0.34
285.4539490	0.07
288.9593506	0.05
293.0003052	0.51
293.6694336	0.02
297.3005066	0.09
298.2874146	0.03
302.1369629	0.05
303.4764404	0.06
305.2292480	0.09
308.9039917	0.08
311.0419922	2.89
312.2797852	0.04
333.1720581	3.60
349.3571167	0.04
353.2926025	0.14
359.0140991	0.31
376.2980347	0.07
395.3377686	0.05
404.6447754	0.08
410.1664429	0.08
417.5638428	0.10
420.6162109	0.08
423.1815186	0.13
431.3508911	0.16
433.6853027	0.05
441.3318481	0.11
447.0646973	0.09
448.1298218	0.03
449.3543701	0.02
450.2887573	0.16
453.6610107	0.10
461.5228271	0.03
465.2188721	100.00
465.8421631	0.29
466.4794922	0.30
467.2391357	0.42
475.3284302	0.62
479.4046021	0.11
480.9365845	0.11
482.8049316	0.08
487.9195557	1.62
488.7973022	0.20
489.6646118	0.18
492.3156128	0.11
493.3479614	0.37
494.0056763	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	430.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
148.7439270	0.08
211.3358917	0.75
217.2989197	0.20
229.0740662	0.22
261.0112305	0.71
265.3666077	0.62
269.2565918	0.13
279.3344727	0.21
281.2783508	3.92
283.2147522	18.65
291.5758667	0.55
292.7066040	0.11
298.1470337	0.12
299.2731323	1.31
307.3469543	0.79
309.2929688	4.85
311.3409119	2.46
325.3093262	6.03
332.0758362	0.55
337.7210083	0.12
341.4755249	0.63
343.3432007	100.00
344.1656189	0.11
346.9820251	1.16
350.3524780	1.13
368.3551636	4.63
370.2199402	19.27
370.9062195	0.17
383.1683350	0.29
384.0921021	2.88
385.8420105	2.90
386.8533936	1.06
392.3074646	0.50
393.2719727	0.16
394.0608826	0.37
395.6524963	0.35
397.5282288	0.60
400.2895203	0.32
401.9201355	0.33
403.1419373	0.16
411.3000793	1.62
412.4043884	30.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	712.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
208.2863464	0.04
210.8049927	0.05
220.8778076	0.06
223.1116638	0.06
238.0310822	0.39
257.9500122	0.02
258.9931030	0.35
271.0418701	0.09
277.0051880	0.03
280.1326599	0.27
288.5187683	0.43
289.1401367	3.16
289.7836914	0.05
306.7098694	0.95
307.3406982	0.19
312.3330078	0.02
312.9378967	0.02
324.4718628	0.94
325.1611023	0.86
334.8270264	0.02
336.9630737	0.15
342.8007202	1.33
354.2514954	0.04
355.0855713	0.11
360.7365112	0.60
362.0123901	0.04
369.0162964	0.30
370.1090698	16.80
371.7305908	0.19
372.6126099	0.07
375.6026001	0.02
378.4150391	0.07
379.1163330	0.08
396.0488892	0.16
396.9080200	1.31
415.0283813	0.06
439.2167969	0.07
451.1172485	1.56
452.5002441	0.05
456.3820801	0.14
456.9954224	0.32
459.9725952	0.96
469.0203247	0.26
486.9093628	0.68
502.8883057	0.09
504.8820801	0.09
514.6157837	0.05
517.0245972	0.82
520.3463745	0.12
532.1115112	0.02
541.1042480	100.00
542.3881836	0.61
543.6653442	0.16
544.2826538	0.11
547.3359985	0.10
548.1218872	0.04
550.0841064	0.11
551.4655151	0.13
556.3054199	0.02
556.9412231	0.06
558.8549194	0.48
566.5751953	0.08
576.9365845	3.58
577.5842896	0.01
619.2311401	0.02
622.1018677	0.15
649.0608521	0.19
679.1141968	0.08
694.3621826	0.01
736.8135376	0.38
739.1060181	27.46
1080.8229980	0.29
1081.5294190	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	316.2838
Annotation	Dehydrophytosphingosine
Peak:m/z	Relative Intensity
93.0708542	0.06
94.7476425	0.47
96.9516144	0.06
107.1435852	0.07
108.9936371	0.96
111.0811844	0.28
119.0685730	0.32
121.0690765	0.19
123.1776352	1.44
125.0609741	0.82
133.2007599	0.27
135.0106964	0.90
135.9731445	0.20
136.9829407	0.93
138.8824921	0.12
140.8789673	0.05
149.2556763	0.20
151.0159607	0.81
161.0668793	0.21
163.0686035	0.38
165.1433411	0.79
169.0906372	0.10
170.1060181	0.25
175.1920624	0.73
177.0871582	0.04
179.1276093	0.20
182.1964264	0.14
189.2777557	0.21
191.2217560	0.05
194.9705353	0.06
196.0028992	0.06
198.1332550	0.15
205.1391602	0.17
206.9641113	1.01
207.6772766	0.05
216.8367004	0.15
219.1963806	0.28
221.1717834	2.04
233.2426147	1.17
235.1642456	0.18
237.3089905	0.24
239.2409363	1.35
242.3802490	1.34
245.2658997	2.73
249.2700806	0.33
250.3751221	1.30
251.2980347	2.45
252.5662842	0.43
254.2881775	0.14
262.2802734	2.98
263.3120422	2.25
267.3458252	0.05
268.2786255	1.91
269.5694885	0.17
275.0197754	0.14
280.2988586	54.43
281.3179321	0.98
298.2890625	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.11
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
100.9455032	0.43
112.9893036	2.94
119.0294418	1.80
125.1156616	0.40
130.8729248	0.85
133.1270142	0.21
135.0713806	4.92
143.0985718	2.78
148.8265076	0.51
150.3715515	0.08
160.9544373	10.58
165.2094727	0.11
166.8507385	0.42
171.0406494	0.09
177.1873932	0.15
178.9643250	100.00
183.1362000	0.06
185.2384644	0.11
188.9608002	0.10
193.1209412	0.73
203.0628357	2.04
207.0211334	0.14
209.3677979	0.07
217.0715027	0.04
221.1496277	0.58
223.0966492	0.30
228.0918884	0.13
242.9217834	0.28
248.9690247	0.13
251.2024536	0.97
253.0507202	0.25
259.9045715	0.55
265.4406433	0.40
267.2437744	0.05
277.3898315	0.22
279.2622070	0.18
281.1614990	2.66
283.9506836	0.11
295.2200317	1.06
296.3646240	0.27
297.0847168	1.26
299.0451050	0.05
302.9747009	0.10
312.7741089	0.12
321.1552734	0.11
323.1946411	0.34
326.1906128	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	7-Methoxyisoflavone
Peak:m/z	Relative Intensity
76.8611908	3.00
80.8338623	2.75
90.98480225	1.57
93.17250061	2.32
95.05278015	5.87
97.1505127	0.86
121.0634308	2.28
123.2331238	1.67
124.7661591	1.66
126.9989624	0.74
128.0282135	2.56
129.1209412	21.14
136.8836975	10.38
140.9690399	1.84
144.9380493	3.62
147.1417084	1.52
149.082077	6.84
151.0331879	100.00
152.0723419	5.43
153.0045013	3.02
154.2269745	2.11
156.0094757	1.65
157.1253052	1.50
161.223938	1.65
165.0799103	4.51
167.0750427	2.95
169.1893311	7.25
170.9244385	1.26
172.9618225	4.04
175.0236664	6.50
177.0720215	6.45
179.049942	8.90
179.9576874	4.04
181.0920258	1.98
182.2505493	5.32
183.1400452	3.16
185.0706635	5.16
186.4811554	1.05
191.0415497	4.16
193.073822	8.55
195.2941284	1.65
196.9034271	2.31
201.072937	1.58
204.6146545	2.69
206.9862366	7.99
208.1448822	1.99
208.8982086	2.13
210.2557526	2.81
211.2311401	17.58
217.1652985	38.40
220.3020477	2.01
225.0975952	15.39
226.3801422	0.92
235.1325226	85.64
237.9452362	38.31
253.0798798	74.56
254.0171967	7.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	205.1
Annotation	Tryptophan
Peak:m/z	Relative Intensity
68.73832703	0.02
72.67337799	0.02
86.96839905	0.03
96.28114319	0.04
97.18395996	0.08
109.0720215	0.10
110.7348785	0.03
113.95578	0.13
114.9537506	0.20
121.0587616	0.07
125.2572021	0.03
126.9845581	0.22
132.0569611	0.02
135.0123291	0.09
138.7768707	0.17
143.7616119	0.03
145.1087799	0.10
149.3703003	0.03
151.0244446	0.06
157.0817413	0.04
159.0292816	0.41
160.9708405	0.13
162.7549591	0.04
163.9699249	0.03
164.8147278	0.09
169.016571	0.37
177.1094513	0.17
188.0995636	100.00
196.5773468	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	460.77
Annotation	Unknow
Peak:m/z	Relative Intensity
206.8368683	5.52
207.8729706	0.22
208.9460754	3.81
281.0555115	0.48
290.7192383	52.65
292.8206177	100.00
299.2374573	0.68
316.9899597	0.05
338.7084961	0.23
340.3876953	0.20
341.1242371	0.21
354.8698120	0.37
369.7656250	0.41
370.7454224	0.31
374.6012268	7.98
376.6373901	48.13
398.9720154	0.15
399.8098450	1.03
400.7868958	4.17
443.2743530	0.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	603.0031
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
193.0718079	0.38
208.9577942	0.12
211.0447235	3.64
214.9664154	1.44
222.7196198	0.08
232.9991760	0.07
241.0447998	2.91
244.2780762	0.21
253.9484253	0.47
256.9826660	0.39
258.9898071	0.15
262.0590515	0.37
269.0329590	0.12
280.0367126	1.52
294.4507446	0.07
298.9088135	0.13
299.9800110	0.17
310.8727112	0.59
318.1354980	0.05
321.2696533	0.11
323.0928955	100.00
324.4453735	0.06
329.0117798	5.61
334.3213501	1.12
341.0922241	0.23
342.2406006	0.11
348.9890747	0.19
350.1322021	0.37
352.1002808	0.57
354.1806030	0.08
359.0684204	3.40
361.2583618	0.43
364.2023926	0.06
371.1098022	0.41
372.3521729	0.26
377.0584717	6.94
378.1865845	0.13
380.4240112	0.54
382.0051270	0.14
388.3787231	0.27
391.0273438	0.73
398.1030884	1.11
401.1206665	0.08
406.2117310	0.46
410.1522827	0.15
418.0814209	0.30
419.0807495	2.35
423.1417847	2.14
424.2443848	0.95
426.1964722	0.11
431.0718994	0.35
432.9197388	0.11
440.0938110	1.99
441.0989990	31.21
444.0969849	0.21
446.1992798	0.36
448.9940796	0.86
451.0681763	0.15
452.0139160	0.36
453.4462891	0.10
458.0520020	0.49
462.1972046	0.11
470.0542603	9.09
470.6675415	0.02
472.8845215	0.05
483.0219727	31.61
488.1520996	1.75
488.9624023	0.13
491.1515503	3.53
500.2722778	0.26
506.9379272	0.16
516.1267700	0.56
517.0128784	0.49
518.3187866	1.04
518.9297485	0.07
524.1325073	1.13
528.6246948	0.05
542.0417480	0.32
556.2162476	0.12
556.8478394	0.08
560.0856323	54.62
560.7700195	0.52
567.2713623	0.14
585.0818481	24.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	541.14
Annotation	Unknow
Peak:m/z	Relative Intensity
162.9225769	1.13
180.8052063	0.57
256.9131165	0.20
258.1930237	0.33
258.9832458	4.24
276.6126099	0.28
280.2157593	5.41
289.0835571	33.39
289.7778625	1.56
293.3576050	0.38
293.9861450	0.53
294.9869385	0.63
301.1126709	0.29
306.6939697	0.86
324.8627930	5.95
336.8347168	1.40
343.0821533	1.10
352.1274414	1.48
355.2282104	0.54
361.1298828	0.56
369.9874268	100.00
370.6600342	4.58
371.5822144	0.41
378.5841064	0.67
379.3889160	0.49
395.6662598	0.46
396.7351685	5.42
397.4045410	0.39
412.2714233	0.23
414.9126587	1.11
437.0604858	0.30
439.2254028	1.29
451.1823120	10.01
455.6743774	1.51
456.6315308	1.53
468.8635864	0.43
486.8461914	3.95
497.3323364	0.14
513.4033813	0.50
516.9541016	4.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
92.92417908	0.22
111.0227509	0.07
137.1421204	0.09
153.1085052	0.12
167.0075989	0.04
175.2980957	0.06
181.2742157	0.08
187.0563202	0.12
188.8602753	0.31
191.2097931	0.07
197.2082672	0.05
198.6536713	0.09
200.8272705	0.07
205.2835846	0.40
207.1170807	0.06
215.0941315	0.25
217.1036224	1.15
218.2705536	0.38
219.0628967	0.10
223.0301666	0.22
225.1317291	0.20
227.2142487	0.19
231.2826385	0.10
232.6056671	0.37
233.2735138	0.05
243.1341705	100.00
244.1708221	0.13
245.1793213	2.03
245.9840546	0.20
262.3101196	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	413.1404
Annotation	t(6)a
Peak:m/z	Relative Intensity
133.1555634	0.12
147.9453735	0.16
161.8776398	1.50
177.0325012	0.16
184.7602692	0.16
187.1643219	0.15
191.0119934	0.23
204.8367004	0.23
207.1360626	0.15
212.6469879	0.42
218.9638977	0.33
225.0597992	0.29
226.9843445	0.19
245.2122192	0.17
248.9919128	0.90
268.1127014	3.35
277.2476501	0.51
281.1028748	100.00
281.7141724	0.55
288.5081177	0.12
294.1481018	4.22
296.107605	0.27
301.1578369	0.61
308.247467	0.50
329.2094727	0.94
337.090332	0.17
345.0841675	0.07
348.2730103	0.57
349.2497559	0.13
350.4415894	0.32
353.7879028	0.80
355.1993713	0.81
367.2588196	0.69
369.1845703	0.38
371.9927368	0.79
379.6014709	0.27
383.1992798	0.59
385.4116211	0.68
386.2575378	0.14
395.0698853	5.29
396.0539246	0.93
398.1277161	0.15
401.8854675	0.55
404.1610718	1.57
412.495575	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
170.9463654	0.71
173.0365143	0.51
189.0233612	0.09
191.0388794	100.00
192.2145996	0.04
206.8423767	0.04
306.2111816	0.07
323.3154297	0.14
341.1393433	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0668
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
97.04766083	0.02
98.21440125	0.09
125.0349121	5.27
126.082016	3.18
126.996582	1.23
143.0431213	0.06
150.943634	0.10
161.2411194	0.06
169.0128784	100.00
169.9814453	71.38
171.0653381	56.00
179.1469727	0.04
184.2284088	0.07
194.1424866	0.20
201.1396484	0.04
203.1399536	0.12
212.2390747	0.04
236.8098755	0.03
241.1429443	0.15
242.0723877	0.16
270.2527161	0.05
271.1958008	0.33
272.5663757	0.37
273.348938	0.04
286.9927368	0.10
288.4983826	0.04
289.5618896	0.04
291.4524536	0.11
292.7634277	0.04
296.2763977	0.20
314.8075562	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	849.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
301.0189209	0.02
456.2744141	0.01
545.5853271	0.27
607.4627075	0.01
608.5653076	0.05
621.2858276	7.69
622.1915283	0.23
653.5913086	0.03
693.2658081	0.04
697.2850342	70.19
698.2511597	1.74
734.6320190	0.06
759.1560669	0.02
773.2567749	100.00
774.5064087	0.01
776.5999756	0.09
801.2710571	0.02
813.2435913	0.02
939.4484863	0.01
1078.8947750	0.03
1091.4781490	0.08
1093.0744630	0.03
1243.1254880	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	259.02
Annotation	Unknow
Peak:m/z	Relative Intensity
78.8860092	15.81
88.9257431	0.27
96.8202515	100.00
101.0603333	0.33
131.0128784	0.42
139.0140533	5.60
142.9535065	0.67
150.9919739	0.37
160.9901581	2.61
166.9027863	0.06
168.9854126	18.15
174.8422546	0.19
181.0291901	0.18
183.0547333	0.16
187.0706329	0.36
193.1256256	0.22
198.9909515	23.00
213.0216827	0.24
223.0192261	4.01
229.0482178	0.24
241.0706024	17.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	333.07
Annotation	Unknow
Peak:m/z	Relative Intensity
125.0551910	5.18
126.0500031	2.45
126.9475861	1.56
137.0948639	0.09
143.1416626	0.10
148.2236938	0.05
169.0139160	100.00
169.9946747	70.04
170.9629517	66.24
171.6885681	0.01
177.0528717	0.17
212.0231018	0.14
223.2896118	0.09
271.2427979	0.07
271.9284363	0.06
287.2543335	0.15
289.1138611	0.13
305.0346069	0.06
315.2789307	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.1224
Annotation	Limocitrin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
168.7709961	0.28
204.1932983	0.19
205.3452606	0.14
206.9982300	100.00
209.2685242	0.22
280.0032959	0.44
323.1950073	12.03
337.1815796	0.07
341.2251587	0.04
345.4744263	0.04
355.9724121	0.17
357.2622070	1.27
365.0518799	0.08
369.2631226	0.19
381.1292725	0.23
387.0095825	0.46
388.2225952	0.11
394.7003784	0.22
414.0458984	0.15
421.2665405	0.42
425.1332397	0.12
437.2767334	0.13
445.1037598	0.05
503.3024292	16.65
513.0999146	0.06
530.0193481	0.03
531.0333252	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.07
Annotation	2-Galloylglucose
Peak:m/z	Relative Intensity
107.1948090	0.57
122.8636932	1.57
124.0146103	0.14
124.9618988	8.34
139.2171783	0.21
150.8831177	6.02
153.0346680	0.49
164.8999023	0.41
166.9562073	2.00
168.9655457	100.00
176.9402008	0.07
178.9803619	0.23
182.7946777	0.09
192.9512482	12.95
204.8147583	0.33
208.8321533	0.08
211.0220947	33.58
223.0859375	1.63
239.2304993	0.25
241.1167908	4.05
253.1704102	0.90
264.9031982	0.29
271.1022949	93.69
294.9412231	2.56
313.1660461	3.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	518.3227
Annotation	PC(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
166.0940399	0.38
183.9748840	75.61
186.6538086	0.09
224.8104553	0.12
234.8874512	0.06
258.1388550	0.28
395.2471313	0.15
404.0344849	0.10
411.4616699	0.29
415.2271118	0.21
437.2886963	0.06
439.1939087	0.06
459.0795288	0.11
474.4557495	0.17
487.1260376	0.36
500.4099731	100.00
501.2994995	0.13
502.2368774	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	515.16
Annotation	b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose
Peak:m/z	Relative Intensity
154.9338989	0.19
160.9090881	0.49
171.0042114	0.06
173.0107117	15.36
178.9672241	2.23
185.1979370	0.04
209.4600220	0.07
280.4589233	0.05
281.2077942	0.26
317.2890015	0.07
335.1983032	1.05
341.1479492	100.00
341.7713623	0.15
353.0253906	0.32
383.2937012	0.10
453.4234619	0.87
455.3264160	0.22
469.0618896	0.34
479.1452026	0.88
497.1522217	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	727.114
Annotation	Unknow
Peak:m/z	Relative Intensity
204.8125458	0.14
207.1195374	0.26
215.1010590	0.26
217.0517120	0.06
219.1381226	0.06
235.0680542	2.92
245.1958313	0.14
259.0934143	0.56
261.1229858	0.92
266.9947510	0.09
269.4237671	0.07
271.0475769	0.06
277.1377563	0.22
285.1354980	1.23
286.9868164	0.13
288.0797119	0.09
289.4753418	0.14
292.2214355	0.21
295.1501465	6.48
297.2574463	0.43
303.0070496	0.92
310.2583618	0.34
313.0460815	1.30
315.0012512	2.33
318.1780396	0.21
327.1355591	3.48
333.2064209	2.28
341.1902161	0.38
343.5662842	0.13
345.2412415	1.23
353.3172302	0.11
355.2403564	0.17
369.2926636	1.88
379.3456421	0.33
381.0736084	0.08
384.4234619	0.06
387.1618042	2.21
389.3834839	0.09
394.4044800	0.19
397.4095459	0.13
405.1318970	7.41
407.0933228	1.60
408.2949219	0.34
410.6979370	0.60
413.3565063	0.04
421.4562988	0.30
423.2323608	3.63
425.1795654	0.12
435.0248413	0.13
437.8930664	0.38
439.1970215	3.75
441.2766113	0.55
442.3244019	0.78
445.3499146	0.42
447.2159424	2.31
449.3067017	0.84
463.3569336	0.07
464.6572876	0.97
465.2622681	20.58
480.2321167	0.07
483.4136963	0.09
485.2116699	6.27
503.0192261	0.12
507.2605591	0.90
512.0424805	0.20
513.3461304	0.55
514.2327271	0.09
531.1950073	0.67
539.0642090	0.31
544.5294800	0.26
547.1705933	0.22
549.0657959	0.58
556.0963745	0.42
557.2182617	12.47
559.2038574	0.92
564.1817017	0.45
565.3435669	0.53
573.0404663	0.24
575.2048950	100.00
588.8653564	0.08
591.1425781	4.17
599.2756958	0.30
601.3032837	0.78
605.1068726	0.17
606.2529297	0.14
611.3435669	0.16
617.0518188	3.06
630.9979858	0.06
637.3466797	0.15
640.1303101	0.15
642.3594360	0.18
651.2053223	1.46
652.5919800	0.10
665.2632446	0.12
666.2311401	0.18
667.4927979	0.07
671.5399170	0.12
679.0363159	0.40
681.1891479	1.00
682.1194458	0.07
683.5671387	0.22
685.2843018	0.48
688.5267944	0.97
689.3313599	0.59
690.0001831	0.07
690.8391724	0.73
692.8740234	0.13
694.5336914	0.12
696.3439331	0.06
705.8017578	0.16
707.1938477	0.43
708.7664185	0.89
709.4008179	0.91
717.8852539	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	535.1512
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
157.0514832	0.42
160.9447479	0.25
175.0604858	0.93
181.0817719	0.25
193.0030823	100.00
193.6369324	0.13
211.2217712	0.15
215.5733948	0.11
309.9738159	0.14
311.2207031	0.34
323.1342163	10.73
334.8199463	0.59
339.0460815	0.15
340.9467773	0.29
343.2751465	0.30
344.2061768	0.32
351.1712646	0.07
352.0122681	0.15
364.0122070	0.09
383.7642212	0.55
385.2110596	0.25
403.9670410	0.08
423.9905396	0.39
437.2246704	0.14
445.2954712	0.46
458.4034424	1.06
459.3491821	0.16
491.7700195	0.08
501.6244507	0.42
502.4152832	1.20
503.4776001	0.41
517.8906860	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	525.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
161.1221313	0.08
172.4945374	0.10
177.0798035	0.08
179.1240845	0.09
191.0520782	0.13
198.1164703	0.17
208.1921539	0.10
214.3427124	0.03
220.3804169	0.13
269.2418518	0.10
273.7697754	0.21
291.4389648	0.02
293.1438904	0.29
310.9046021	0.76
332.2873535	0.04
336.9614868	0.09
342.3312988	0.15
344.9990845	0.10
347.2288208	5.74
363.2266235	0.79
364.3621216	0.03
402.2490845	0.05
410.6920776	0.12
429.2089844	0.16
434.9965820	0.20
438.3863525	0.22
440.9758911	0.04
463.2659302	0.07
479.2277222	100.00
479.8499146	0.59
481.2225952	0.81
484.0357666	0.37
484.8996582	0.59
489.4248047	0.21
490.0772705	0.10
495.1780396	0.06
497.1044922	0.15
501.6620483	0.08
507.1831055	0.90
515.4487305	0.06
524.6549683	0.03
525.3672485	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.2882004	0.23
108.9872665	0.63
116.9471436	0.47
120.9358521	1.86
122.9638062	1.16
125.023819	0.16
130.8255615	0.26
133.0333252	1.05
135.0912781	1.74
136.697525	0.20
137.3858337	0.33
143.0522766	0.41
147.0124664	1.31
149.1694946	1.32
151.1130676	1.17
153.9038086	0.23
155.1348267	0.84
157.1009674	0.29
158.0884094	0.32
159.0200653	0.47
161.0416565	2.06
163.0650635	0.97
164.8535156	0.09
169.0803833	0.16
173.1319885	0.94
175.0538025	0.51
176.9246521	0.39
183.0283813	0.57
185.402771	0.83
187.269989	0.40
189.0548401	0.93
191.4295502	0.41
195.1083374	0.18
197.2253571	0.17
199.0154724	0.11
203.1586304	0.72
205.2590332	0.58
207.1377563	0.21
209.33078	0.16
211.1501465	1.40
213.1166077	0.19
214.9511108	0.52
217.1480103	0.54
220.1744995	0.42
221.1792908	0.08
223.1436768	2.11
225.6452637	0.16
227.1113586	0.96
229.3707275	0.56
231.2093811	4.04
236.8847961	0.17
238.9033813	0.60
240.3097229	0.25
241.1126099	0.27
243.21698	0.40
245.4639893	1.83
247.2193909	3.51
248.6190186	0.13
251.8589783	0.44
253.2717896	0.63
255.4611816	0.47
257.2316284	2.88
259.2661743	1.34
263.1824951	0.57
266.1924438	0.06
267.3155518	0.69
269.1235046	0.27
270.7559814	0.52
272.8893127	0.10
273.5311279	0.43
279.3993225	0.13
281.3467102	1.63
282.3428955	0.35
283.2545776	0.74
285.1398315	0.62
287.0858459	0.19
292.3483276	0.33
294.2271423	0.26
295.1699219	1.26
296.416626	0.15
297.4276428	0.24
299.2557678	3.13
305.3352356	2.75
306.2466431	0.21
307.2981567	0.29
309.480896	1.04
310.140686	0.28
311.223175	0.09
313.2434692	0.07
317.3280029	0.09
318.8061523	0.52
319.4773865	0.15
323.2476807	100.00
323.8665161	1.04
324.5692139	0.10
326.0774231	0.35
332.7048645	0.61
340.2479553	0.21
341.2659607	2.32
345.0062256	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	705.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
199.9295502	0.25
241.1869354	0.07
257.0248413	0.24
283.1357117	0.23
291.0424500	0.10
319.1302490	0.12
346.8543701	0.29
353.3128662	0.35
362.0952148	0.24
363.1345825	1.36
379.0669556	0.54
381.0626831	1.09
383.3095703	0.17
396.2588501	0.41
402.0397949	0.29
426.1604614	0.07
437.0768433	0.29
438.9608765	0.21
463.4773560	0.41
480.3012085	0.31
483.8062134	0.08
487.2023926	0.12
495.0502930	0.20
496.8613281	0.58
510.1397095	0.45
511.1514282	0.73
512.9707031	0.37
515.4419556	0.25
525.2718506	13.25
526.4890747	0.30
528.0667114	0.62
533.4884033	1.28
535.1458130	0.72
543.2164917	100.00
544.0706177	0.92
549.6121216	0.48
551.2152710	0.14
558.8689575	0.74
559.4877319	0.50
563.3250122	1.14
564.1245728	2.59
569.2512817	0.07
572.9779053	6.21
575.8967285	0.08
586.3872681	0.13
597.8413696	0.77
599.5681763	0.26
600.1769409	0.53
606.8684692	1.28
614.9456177	0.95
623.0833130	0.14
634.8527832	0.50
643.8245850	0.80
645.1984253	2.10
646.1736450	1.35
651.7844849	0.14
652.8257446	0.31
654.0335083	0.17
658.8687134	0.11
668.9837036	0.16
686.3198853	1.45
687.0972900	2.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	471.19
Annotation	Crepidiaside C
Peak:m/z	Relative Intensity
161.0867615	0.31
167.0876312	0.17
168.9519806	17.22
170.0447083	5.12
170.9440918	3.48
171.9683075	0.09
197.0953217	0.06
201.2163696	0.07
211.3621063	0.08
217.2462158	0.11
219.1354980	0.51
242.4267883	0.14
243.3238525	0.08
245.0672302	0.16
249.0781860	0.15
253.0898743	0.21
259.4117126	0.10
260.0287476	0.06
261.4775696	0.12
263.1179199	16.08
277.8988953	0.05
287.4405212	0.67
295.0751038	0.09
296.1239929	0.10
299.5300903	0.11
305.0528564	0.71
308.3419189	0.98
309.3973083	1.19
316.3688660	0.12
317.6171265	4.58
318.4306030	3.00
322.9657898	0.05
331.1834412	0.16
346.7163696	0.17
350.7751465	0.23
362.4578247	0.48
363.3603210	0.48
364.5892334	0.25
369.1755371	0.18
371.4521790	0.28
373.0225830	0.06
383.1581421	0.20
384.9815979	5.24
385.8039246	2.88
387.2431030	0.11
394.0347900	100.00
394.8080139	54.35
396.6098022	0.05
398.2651367	0.06
404.6683655	0.03
409.2488708	0.11
411.2511292	0.21
422.2115784	0.08
424.9930420	36.27
425.6792603	0.22
426.3201904	0.13
427.6220398	0.33
429.1848450	0.19
430.2134399	0.20
431.4984436	0.32
432.2268982	0.03
433.9760437	0.05
439.3109436	0.11
447.4164124	0.11
449.2527771	1.86
450.1211853	0.32
453.0085754	0.57
456.1263428	0.67
461.3101196	0.20
462.1753235	0.12
465.3125305	0.17
466.3880920	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	575.125
Annotation	Unknow
Peak:m/z	Relative Intensity
168.9485474	5.90
230.9647522	0.16
243.0363464	2.69
256.8064270	0.28
293.0074463	0.18
304.0975952	0.03
331.0897217	100.00
331.7324219	0.06
338.9001465	0.11
344.2766113	0.23
358.0540771	0.12
363.1393433	0.05
381.2116089	0.24
401.0021362	0.16
401.7199707	0.09
404.0168457	0.16
405.4089966	0.13
412.2165527	0.50
413.1499023	0.32
417.3004150	0.11
423.2865601	0.25
425.3634644	0.04
436.1898193	0.09
437.3472290	0.06
438.5226440	0.05
445.1897583	0.02
453.2230835	0.06
454.0308228	0.50
455.2261963	0.44
465.2439575	0.23
465.8970337	0.06
467.1766968	0.05
471.0681152	0.12
483.5643311	0.24
484.1732178	1.70
485.2398071	0.16
489.1800537	0.05
496.1776123	0.44
497.4607544	0.18
499.9349976	0.04
502.7884521	0.26
508.4008179	0.36
513.9285278	0.25
526.2684937	0.15
527.2883911	0.05
529.0487061	0.36
530.2679443	0.32
536.1296387	0.39
540.3078613	0.05
541.3051758	0.05
545.2073364	0.12
556.3032837	0.15
557.1539917	1.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	538.93
Annotation	Unknow
Peak:m/z	Relative Intensity
180.7780304	0.60
221.3443298	0.15
227.0377502	0.43
255.0050354	0.15
266.9656372	0.16
283.2030029	0.31
299.7382202	0.21
312.8281860	0.24
322.3046265	0.07
386.2380371	0.53
410.9555054	0.17
419.1135254	0.41
423.2371216	0.96
424.0219727	0.74
425.0859375	10.39
426.0032959	0.44
437.5186157	0.23
441.5006104	1.36
442.6310425	2.24
443.5966187	1.73
444.2724609	0.12
447.0234985	0.17
451.1089478	0.10
452.9175415	0.41
458.4730835	0.53
465.1907959	0.47
465.9667358	0.90
467.1029053	0.63
470.7828979	0.88
481.3314819	0.27
483.1377563	0.92
491.2266235	0.38
492.9445190	100.00
493.9207153	11.73
494.5390015	0.32
497.3841553	0.17
510.8849487	35.81
511.9206543	6.06
518.3397827	0.18
520.1358643	0.10
520.8635864	1.25
521.5869141	0.21
524.8923950	0.35
525.7490845	0.10
528.2528687	0.13
534.2533569	0.64
536.5988159	0.09
540.0620117	0.13
546.7145386	0.76
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
134.9487305	7.07
171.0569763	1.15
181.1004944	3.82
185.0181427	7.80
199.2880707	2.48
210.004303	6.56
215.3701172	4.99
217.1747284	2.04
222.4515381	2.93
225.1057129	6.77
241.3181458	6.62
248.0479736	1.16
255.8557434	15.14
262.2634583	4.89
266.236908	8.97
279.0265198	3.37
281.1061096	18.42
284.1782227	2.79
297.3007812	15.79
308.3729553	4.24
311.848877	2.04
313.3217468	10.47
324.0701294	2.63
324.8616943	2.49
328.3163452	13.08
332.5678711	13.99
333.7049255	5.13
336.0626221	42.57
337.5351562	8.38
339.4325256	5.17
341.3993225	5.59
343.1645203	6.33
355.4197998	2.06
357.1937561	12.03
364.1757507	4.29
366.3187561	7.21
368.1085815	3.98
372.4488831	1.90
376.9701538	15.84
380.2794495	3.52
380.9090271	7.88
382.2801514	32.34
385.0973816	1.61
390.4681091	5.88
394.1442871	1.52
395.4448547	8.29
407.264679	14.18
408.2650452	100.00
409.1816711	28.10
410.3162537	5.62
414.1183777	8.42
416.8780212	7.50
417.835022	12.68
425.3899536	2.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2251
Annotation	Citbismine C
Peak:m/z	Relative Intensity
241.0602722	0.04
251.0325775	0.02
252.4075012	0.04
278.1019287	0.08
280.6864014	0.19
281.2946777	0.04
341.1566772	100.00
341.7711182	0.16
497.5487061	0.09
521.1849976	0.14
592.7756348	0.02
623.1754761	0.09
636.3484497	0.04
637.4518433	0.21
665.1676025	0.08
682.6336060	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	444
Annotation	Unknow
Peak:m/z	Relative Intensity
166.1757202	0.05
177.0178528	0.13
183.9650116	0.21
185.8128052	0.20
189.2257690	0.07
195.0141296	0.16
200.1024475	0.04
201.6889801	0.11
204.9734039	0.20
221.0971985	0.09
227.4333344	0.06
259.3762817	0.07
269.3475342	0.11
271.4524231	0.33
272.9818115	0.05
273.8981323	0.21
277.3457947	0.16
279.3471069	0.27
281.1370239	1.22
282.0319824	0.66
283.8261719	0.04
289.2997131	0.05
292.2360229	0.02
299.2301331	0.12
301.0400391	0.13
305.8508911	0.05
308.3264771	0.09
309.2415466	0.10
310.1034546	1.03
312.2810669	0.03
314.8556824	0.03
318.0864868	0.41
319.1784973	0.07
326.9484253	0.20
328.3905945	0.16
333.8267822	0.61
335.4330139	0.04
336.0880127	3.16
340.4612122	0.15
341.9426880	2.01
345.1776733	0.04
347.0752258	0.15
348.1453247	0.07
350.2628784	0.20
352.0199585	1.53
354.0515747	1.92
357.0820923	1.27
359.2380981	0.13
362.1916504	0.12
369.7927246	0.19
371.7561340	0.15
379.9387512	2.44
382.1735229	0.26
383.9689026	0.13
385.0329895	0.23
396.6677551	0.83
398.0386963	100.00
399.1723938	0.52
402.3092957	0.10
407.8462524	0.03
412.2771301	0.51
412.9163513	0.16
414.1323853	0.67
415.5601196	0.60
420.7274780	0.21
422.8856201	0.43
425.4395142	2.69
426.0805664	29.87
427.3279724	0.09
441.4716187	0.09
442.4313965	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	318.2994
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
92.79605103	0.15
103.6414337	0.06
107.1943207	0.22
110.9173279	0.04
121.0987701	0.12
123.1435242	0.08
126.9582825	0.02
135.1978607	0.13
139.1439209	0.13
149.1218872	0.20
150.8999939	0.24
177.3798523	0.22
179.0223846	0.07
183.2702026	0.17
185.1439209	0.06
197.0441742	0.05
207.1339722	0.10
210.9193115	0.42
225.278656	0.18
226.2979431	0.09
235.1295776	0.20
237.0907898	0.09
238.5942383	0.03
241.0940857	0.05
247.2362976	0.18
252.2994995	0.41
253.2231445	0.43
254.4272461	0.14
264.1777954	0.57
265.2940979	4.03
270.3303223	1.42
271.0134888	0.06
273.233429	0.16
276.6049805	0.15
282.3822021	33.86
283.3349609	0.16
300.2823792	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	487.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
167.9295807	0.07
183.0179443	4.51
183.7684937	0.01
258.2651062	0.05
302.2233276	0.10
326.0448608	0.03
335.0377197	100.00
335.9226379	0.01
346.3248901	0.06
440.0803528	0.04
442.2220764	0.18
451.5953979	0.08
472.0620422	0.02
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
136.7980347	3.55
162.9631958	1.39
167.0604858	8.22
175.360733	2.19
179.760437	1.40
183.119751	9.68
197.1626129	6.83
205.2852173	3.34
206.1802979	8.16
212.1269836	6.74
214.4432068	3.44
228.0685883	4.40
250.0569763	9.32
258.3975525	8.72
263.3170471	12.75
267.0229187	4.72
269.9368896	2.42
271.3158569	1.06
272.1799927	1.28
273.2913208	3.11
285.5796509	1.41
294.2228394	10.39
301.2796631	2.87
305.1840515	2.69
312.1806335	3.26
313.4174194	5.15
327.4910583	12.44
332.1867065	6.34
333.4262085	6.06
336.2546387	2.22
337.0957031	11.83
348.0133667	5.33
362.4241943	8.36
366.1900024	3.69
367.7121277	4.31
372.1156006	6.98
373.1749268	6.90
380.3746033	7.63
381.5534973	1.46
383.1494446	1.69
385.1163025	13.73
390.2105408	10.42
391.059967	15.27
398.3664246	6.70
407.5240784	22.43
408.2666016	100.00
409.2789001	27.81
409.9448242	6.30
410.8754578	4.12
415.713623	6.27
421.5050964	7.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	613.16
Annotation	Unknow
Peak:m/z	Relative Intensity
173.0063782	0.09
176.8408661	0.05
179.0409088	0.90
184.1554871	0.07
192.0041962	0.10
210.0644989	0.58
236.2453613	0.25
254.1935577	3.64
255.2854614	0.06
259.0487366	0.08
271.1579590	0.10
272.1773071	4.73
273.1155701	0.28
274.4299927	0.13
288.1382446	2.07
290.2222900	0.05
304.4280090	0.14
306.1186523	100.00
307.1209106	0.42
308.1331482	0.87
320.9904785	0.12
338.2635498	0.19
338.9501343	0.23
340.1901855	0.20
353.1818237	0.19
361.1961670	0.32
402.9802246	0.65
406.9459229	0.06
421.0208130	0.52
431.9402466	0.13
433.0867310	0.04
465.4417114	0.11
482.1434937	0.21
483.4065552	0.29
484.1491699	0.06
508.1961060	0.12
515.3497925	0.13
525.2199097	0.22
552.1917114	0.22
566.3063354	0.17
568.2638550	0.13
594.0460815	0.09
594.7467651	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	425.1812
Annotation	Crepidiaside C
Peak:m/z	Relative Intensity
121.9445953	0.07
125.2920151	0.06
135.1727448	0.08
136.0126953	0.04
137.3360596	0.13
138.1021118	0.51
151.1205902	0.02
153.0171509	20.01
161.0428619	0.20
162.0851135	0.02
163.1380157	0.12
165.3080292	0.06
172.2615662	0.04
175.0654602	0.20
177.1616669	0.11
183.3019714	0.02
186.5027161	0.02
189.2643433	0.17
191.1334534	0.02
201.1376953	1.26
204.2262726	0.34
217.2209778	0.21
219.1301575	4.26
221.0728760	0.14
227.3672943	0.07
235.1478271	0.04
245.0776062	0.09
247.0583191	0.04
254.0804749	0.13
255.1308289	0.11
263.0689697	100.00
263.6845703	0.29
271.1222229	0.14
272.0872803	0.03
287.1449585	0.49
302.2707214	0.07
305.1547241	1.15
309.4425354	0.07
311.2893066	0.03
317.1933594	0.15
321.2863159	0.04
324.3464355	0.13
329.1055908	0.07
333.4453735	0.05
335.3669434	0.18
339.4003601	0.11
341.2891235	0.03
344.0991516	0.06
349.0693359	0.04
356.3108826	0.04
360.5197449	0.08
362.2207336	0.05
363.5927429	0.11
364.7727966	0.13
371.2527771	0.02
379.2546692	0.49
380.3178406	0.24
381.4158020	0.28
382.9685974	0.89
405.0651245	0.03
407.4208069	0.24
415.8441467	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	346.26
Annotation	Broussonetinine B
Peak:m/z	Relative Intensity
102.0505676	0.23
107.1279602	0.39
110.0383606	0.44
111.0347443	0.48
114.9968414	0.29
117.0111847	1.10
119.0700989	0.11
120.0718842	0.49
121.0015564	1.70
122.0288849	0.81
123.261467	0.43
124.1411896	0.37
124.9214706	0.54
125.9282227	0.49
130.9885254	0.94
132.8817749	0.61
135.1112061	0.56
139.1599731	0.79
143.0623169	0.23
144.8279419	0.38
146.9699707	0.59
147.8778076	0.41
149.1438141	0.89
150.2789001	0.83
151.103363	0.41
152.9862976	0.99
156.988678	0.94
159.1996765	0.46
161.0524902	2.89
163.0784607	0.79
169.1301575	1.03
173.1812744	0.53
175.0139771	1.54
179.1337585	0.92
180.1777649	1.46
182.9121552	1.23
185.0505371	0.60
187.1656494	1.09
189.0171509	4.09
191.120636	2.00
197.1356506	1.16
199.1002808	0.33
201.2844849	1.21
203.3740845	1.20
204.9477234	1.12
207.2366028	2.15
210.8182983	0.85
211.4202271	0.42
212.3332825	0.80
215.0709229	1.17
219.1257935	1.24
220.8872681	0.20
222.1934204	0.43
223.7832642	0.25
226.250061	0.24
227.3639832	0.68
228.4977417	0.13
229.3175659	0.34
230.2492981	6.36
231.3937378	0.34
232.2075806	0.12
233.2116699	0.99
235.0438232	0.35
236.3996887	0.49
237.1445007	0.75
239.0775146	1.70
245.3519897	0.81
246.1400452	0.24
246.8886108	0.39
249.3564758	0.37
251.0867004	1.25
255.0994263	0.41
257.1989441	2.95
259.8828735	0.29
263.530365	0.67
265.2226257	0.77
266.0493164	0.33
269.0238037	0.16
272.1505432	0.30
274.2572632	4.36
275.1677551	3.72
279.3151245	0.71
280.7319946	0.77
282.6848755	0.74
283.2883301	1.78
287.3815918	0.31
292.2039185	13.98
293.3484497	4.68
297.0930481	1.14
300.1134644	2.04
301.3337402	0.54
302.1796875	0.24
303.401062	0.33
305.1266479	1.79
308.3186035	0.32
310.2821045	29.37
311.1859436	0.76
315.2454834	0.20
320.5784912	1.35
328.2510986	100.00
329.2359924	4.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.1606
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
121.0424194	0.10
122.7562408	0.05
135.2439728	0.04
141.2014313	0.01
148.9466553	0.30
158.9433594	0.03
161.1154633	0.58
167.0630493	0.35
176.9450378	0.03
179.2260590	0.38
197.1881714	20.42
202.9619141	0.54
205.0178070	0.03
221.1783142	0.17
223.1669769	3.87
229.2834473	0.04
237.2153320	0.09
239.5049438	0.01
241.0825195	100.00
245.2332764	0.04
253.0704956	0.05
255.0800171	0.09
265.1920471	0.67
277.0511475	0.05
281.1466064	0.03
283.2036743	2.10
290.8811646	0.02
294.9866638	0.07
305.3161316	0.05
307.1505127	0.32
313.0342712	0.56
318.0212402	0.12
325.2248840	0.13
335.2634583	0.02
339.3232727	0.12
341.3248291	0.10
343.1844482	2.63
348.9286194	0.17
355.8374939	0.06
357.2723389	0.08
359.3100891	0.02
367.0018311	0.38
373.1690369	0.05
375.2654114	0.09
385.0620117	0.37
389.1815491	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	360.149
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9833450	1.05
144.9330444	1.51
162.8647766	1.82
163.9821472	0.04
165.1721191	0.04
167.0554199	0.21
180.0465546	3.39
180.7468872	0.53
197.9821930	3.58
210.3360443	0.12
228.9878540	0.05
233.4225769	0.05
241.1315918	0.19
246.8797607	0.19
255.8914490	0.08
258.8443604	3.08
266.6492615	0.06
270.7807312	0.68
275.6512756	0.52
276.6668091	5.11
277.3483887	0.02
287.4970093	0.11
288.9398193	12.10
294.1196289	0.29
297.5087585	0.24
305.3247375	0.26
306.2484131	1.77
306.9265137	8.45
309.2323914	0.04
316.5465698	0.29
317.2111511	0.20
318.3170166	0.13
322.3196106	0.46
323.3985596	1.63
324.8760986	100.00
336.5338440	0.03
337.9927368	0.07
340.6653137	1.20
342.0939026	10.40
342.8647766	71.22
343.5916138	0.22
359.4478149	0.04
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
90.0503998	0.07
98.9922943	0.23
112.2743073	0.05
115.9228134	0.10
120.1399841	0.13
125.8048553	0.06
127.9749298	9.60
143.0332336	8.03
144.8577271	0.19
146.0955200	0.81
153.0177307	0.04
155.2973938	0.05
159.9817810	10.24
167.0653992	0.19
169.0841217	0.15
171.0502167	0.90
177.0651550	9.24
179.0864563	8.29
184.9931793	0.83
191.9565430	0.04
193.1976318	0.12
197.0969696	1.04
202.0979004	0.12
202.9992371	0.09
210.0743713	4.79
211.1251526	0.22
211.9389954	0.05
213.1030273	1.26
228.1582947	0.76
231.1008911	0.92
236.0512695	0.51
242.2348022	1.28
244.0920410	0.08
254.1039429	97.47
260.1377563	0.22
270.4185181	0.04
272.1296997	100.00
275.0117493	0.05
288.0785217	64.39
288.6806030	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1034.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
293.8937988	0.23
339.4095154	0.31
387.3880615	0.09
443.4872437	0.30
477.0931396	0.24
515.9729614	0.05
526.9167480	0.22
547.3920898	0.14
553.4691162	0.40
566.4394531	0.20
590.2200928	0.42
604.8409424	0.31
622.4809570	0.65
633.5565186	0.10
640.3245850	0.14
648.4552612	0.34
650.3604126	0.80
707.3848267	2.42
725.5560303	34.53
733.7653809	0.31
743.2781372	3.01
743.9272461	0.12
761.4698486	0.20
766.7034912	0.14
768.6926880	0.41
773.4683838	1.62
779.6645508	0.53
784.5461426	0.11
785.6933594	0.18
791.3244629	0.58
797.6384277	2.75
800.5695801	0.70
817.2623291	0.72
818.4852295	0.46
835.6876221	1.09
836.7375488	1.35
851.5625000	0.83
854.5087891	12.79
872.5130615	100.00
887.4205322	7.10
905.3376465	0.40
905.9766846	0.26
914.4926758	0.79
932.6433105	0.21
950.3559570	0.14
959.8457031	0.98
980.4794922	0.53
998.3718262	1.27
1016.2224120	3.20
1017.0979000	0.07
1017.7792970	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	907.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
301.0573120	0.14
303.2247925	0.10
403.2209167	0.05
433.4019775	0.13
543.2413330	0.07
568.7721558	0.04
585.1717529	0.56
585.7731323	0.05
599.4170532	0.04
693.0236206	0.06
714.4672241	0.06
737.2521973	4.22
738.0510864	0.06
745.7572632	0.28
755.1538696	100.00
755.8361206	0.11
757.6923218	0.06
759.6506958	0.07
781.2698975	0.10
785.7421875	0.04
787.2371826	0.61
796.7248535	0.08
802.3014526	0.11
821.6842651	0.08
830.7012329	0.44
862.3085938	0.04
887.2108765	0.08
888.5739136	0.17
889.4194946	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	630.8774
Annotation	Unknow
Peak:m/z	Relative Intensity
200.9978485	0.02
218.8072968	0.01
244.9268494	0.13
246.1664429	0.02
247.2367554	0.07
248.1327057	0.02
272.9623718	1.78
275.0437317	0.02
277.0282593	0.02
288.9273987	3.60
311.0547485	0.02
387.0018921	2.34
402.9642944	17.72
458.6815796	0.05
460.9608765	0.05
475.0863037	0.03
496.9118652	0.04
500.1063232	0.01
500.9986572	0.38
502.0049438	0.06
508.3679199	0.13
513.1238403	0.01
515.1411743	0.63
516.8544312	100.00
517.5164185	0.23
529.0617065	0.06
541.0121460	0.16
556.0685425	0.02
556.9686279	0.03
561.7467041	0.05
584.0142212	0.27
585.1808472	0.30
586.2258911	0.05
586.8934937	0.03
601.4365845	0.03
605.2069702	0.06
611.6634521	0.02
621.2332764	0.02
631.2734985	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	350.1072
Annotation	2-Galloylglucose
Peak:m/z	Relative Intensity
132.9133301	0.10
135.2345276	0.14
141.3590088	0.03
144.8810730	0.15
151.5959320	0.26
162.8521729	0.03
164.9291992	0.09
170.9959412	4.15
175.1308746	0.36
179.9784851	1.79
181.7302094	0.06
184.4600525	0.16
187.8920898	0.05
195.2929230	0.02
198.4741821	0.02
199.9180756	0.12
209.2533417	0.38
210.4813995	0.18
244.1292419	0.05
248.2808533	0.19
259.2350769	0.08
260.9207764	0.18
282.4230347	0.15
287.1482544	0.11
288.9471436	0.27
290.6422119	0.03
296.2044373	0.03
296.8627319	0.03
302.0493774	0.07
304.5041504	0.09
305.2944641	0.08
306.3781433	0.15
314.8673096	1.39
321.2955017	0.19
322.3832703	0.05
331.0722961	0.44
332.8442688	100.00
333.5868530	0.14
338.5603943	0.06
354.1237488	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	267.1714
Annotation	Tributyl phosphate
Peak:m/z	Relative Intensity
76.9034424	0.07
80.9549561	0.68
92.9605102	0.33
94.8822021	1.11
96.9426270	0.38
98.9660797	7.16
105.1456451	0.03
109.0862732	0.98
110.0199738	0.12
110.8821869	0.51
112.2254333	0.10
112.9660797	0.42
121.1323395	0.41
123.0895844	0.57
124.9114990	0.11
135.2563324	0.14
137.0069122	0.43
139.1667938	0.57
141.2087250	0.52
149.1292877	0.55
151.1420135	0.96
152.8646545	1.00
154.8188934	26.36
155.4210358	0.09
161.2610626	0.09
165.0616913	0.81
165.9669952	0.20
166.9242706	0.62
169.1381683	0.13
171.3435822	0.07
172.6304779	0.09
178.8623657	0.92
182.6514435	0.28
185.1519623	0.38
189.1091461	0.14
191.0162048	0.20
193.0045319	0.44
194.2666779	0.41
195.1729736	0.32
197.1408844	0.21
198.2135162	0.08
203.1372986	0.12
205.1058350	0.22
207.2147675	0.65
210.9977570	100.00
213.1525421	0.28
221.1096649	0.80
223.2075043	0.33
225.8056793	1.33
230.9865265	1.02
231.6832428	0.12
235.1235199	0.05
239.2322235	1.38
248.6190186	1.62
249.2849579	7.60
250.0134888	0.08
251.5261230	0.14
258.9082336	0.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	428.0265
Annotation	Adenosine phosphosulfate
Peak:m/z	Relative Intensity
136.1050873	0.14
174.0735474	0.10
190.9907837	0.03
221.3852539	0.09
228.0361328	0.31
241.0866699	0.20
247.1011658	0.28
249.0124817	0.24
253.0140991	0.05
262.1445618	0.03
268.9454956	0.22
273.5218506	0.04
284.3116150	0.36
287.0727539	0.12
291.2321167	0.23
298.0299377	0.11
307.2907104	0.11
315.5145874	0.30
328.3658752	0.24
329.0328369	0.14
341.9653931	0.17
348.2590942	0.17
354.6192627	0.10
365.3533936	0.33
366.4754944	0.24
367.1970520	0.05
382.2047424	1.44
384.0339355	0.05
387.1180725	100.00
392.0842590	0.24
402.0513000	0.27
403.2017517	0.45
404.0129395	1.30
404.6893005	0.45
409.2884216	1.57
410.1255798	1.20
411.3209839	0.42
419.2294617	0.04
427.5111694	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.2592
Annotation	2-Hydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
93.00865173	0.50
103.1057358	0.46
115.1287766	0.15
130.193161	0.66
132.0510101	0.09
140.8798065	0.23
143.2172241	1.41
149.1704102	0.12
154.9776306	0.34
156.9241028	0.33
167.2136841	1.37
169.1277466	0.23
171.249939	1.46
181.081665	0.17
183.0491028	0.54
185.9127502	0.33
187.1908875	0.67
196.8673401	0.46
199.2847595	1.92
201.0223389	0.81
205.41922	0.62
210.9881287	0.46
213.1304321	0.53
215.2046204	1.25
219.0514221	0.25
221.1800842	1.20
225.335907	1.38
227.103302	3.92
231.2578125	0.26
235.1029358	0.26
237.2709961	6.37
239.2631531	4.54
241.1611938	0.63
253.2606812	100.00
254.2362061	9.12
255.2421265	13.69
257.0447998	1.47
263.3351746	4.80
267.1946716	0.96
268.1036377	0.68
268.8113403	0.30
271.0613098	2.99
272.0802612	0.32
278.9050903	0.22
279.5124512	0.13
280.547821	3.08
281.2518311	43.39
283.1899414	9.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	540.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
162.1838379	0.24
167.9931030	0.02
178.9073181	1.84
198.9160461	0.03
204.8334961	0.02
206.9647064	0.18
214.9796143	0.26
216.1924744	0.07
221.2019958	0.08
233.0348206	1.96
243.0049744	0.03
245.2785950	0.16
251.2342834	0.08
254.2400055	0.20
265.0629883	0.07
266.8949280	0.10
271.0945435	0.25
272.2444458	0.08
273.1459045	0.08
283.0653076	0.16
283.9696655	0.53
290.2922668	0.49
291.1517334	0.28
299.9548340	0.12
300.9541626	0.23
308.1693115	8.79
315.0854492	0.03
318.0812378	1.86
319.0614014	1.97
323.2490234	0.12
324.1054688	0.09
334.2644653	0.25
336.0795288	27.81
338.9688110	0.05
341.3292847	0.07
343.9323120	0.13
360.0471802	0.06
362.0690918	0.75
365.1762085	0.05
370.9502563	0.05
374.4039917	0.08
375.1271973	1.04
376.1762085	0.38
377.3767700	0.06
381.2073364	0.04
393.1376343	3.60
394.1464233	0.19
395.2695312	0.07
402.1580200	0.90
411.1301270	100.00
411.7614136	0.25
413.2297974	0.76
418.9190674	0.12
420.0521240	0.17
429.0574951	0.18
431.1050415	0.33
434.9964600	0.10
446.1925659	0.10
447.1334839	1.74
448.3189697	0.40
459.1762085	0.15
465.2567749	15.26
469.2967529	0.07
475.8466187	0.04
477.3668213	0.18
483.2012939	0.06
486.1930542	0.06
488.6647339	0.03
494.2554321	0.36
503.9758301	0.74
509.7340088	0.10
522.1638184	10.30
523.2160034	1.61
531.1910400	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	335.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
182.9802551	100.00
183.7586517	0.01
208.9905396	0.25
220.8937683	0.06
262.8751526	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2626
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
80.74675751	1.07
83.0585022	0.85
86.65527344	0.55
88.83799744	0.52
93.0070343	1.34
94.93742371	3.90
96.93474579	1.40
99.00372314	3.21
100.9271851	1.74
107.1571884	0.22
109.0349731	2.36
110.9723663	2.88
112.9731445	0.29
115.0425262	6.47
118.9219971	0.30
121.0312881	7.87
123.0465088	2.40
124.9964676	1.94
126.865448	0.49
128.8984833	0.32
132.8372192	1.76
135.0583191	5.51
137.0611572	3.70
139.1706848	0.31
141.0230713	1.98
143.1335449	0.45
144.961792	0.29
146.9806976	0.32
148.9715729	10.02
151.100708	7.77
153.1745605	1.67
154.9387512	2.71
158.9363708	0.59
163.0853271	3.08
164.3533478	2.24
165.2088013	4.73
166.9536133	1.87
169.0619202	5.09
171.13974	4.03
172.0419617	0.42
177.118103	3.29
180.9404297	1.96
182.8579865	1.00
185.2073517	1.11
189.0969696	0.91
190.7226105	1.35
191.3984222	0.57
193.1006165	1.30
195.3207397	1.15
197.086731	0.21
199.1636658	2.02
206.9754944	1.73
209.0496826	1.34
211.2972412	0.70
213.0691528	0.77
219.1937256	1.80
222.8229675	1.54
224.9713745	9.46
225.5920105	1.99
226.9260559	2.29
229.347229	0.86
237.2567444	0.88
237.9219666	1.16
239.1117554	4.14
241.4242554	0.63
242.1125183	1.45
245.5068359	0.25
247.2394714	43.24
253.0646973	2.73
255.2067261	1.49
265.254425	100.00
265.9541931	0.43
273.9763489	1.36
283.1476746	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	423.1573
Annotation	Planusin A
Peak:m/z	Relative Intensity
141.9121399	0.07
151.0679321	0.02
152.1816711	0.06
155.0845032	0.05
157.2392883	0.03
158.0000916	0.02
161.3912964	0.07
162.0131226	0.10
163.2132568	0.09
174.1674805	0.07
177.0122986	0.07
178.0794525	0.03
183.0319214	0.04
184.1267090	0.46
186.9110718	0.06
188.1685944	0.08
191.2749939	0.08
192.2804565	0.04
199.1578979	0.14
202.0906067	0.08
207.2699585	0.02
207.9548645	0.15
215.1739044	0.08
220.7969360	0.03
223.3209534	0.09
225.0949402	0.39
225.9233704	0.28
227.2613831	0.24
229.2388611	0.07
230.9850464	0.08
239.0895996	0.08
240.2023926	0.05
241.1233826	0.02
242.8749695	2.34
243.9981689	0.58
245.0826111	0.03
247.2404480	0.04
251.9920349	0.05
256.4108887	0.08
257.1298828	0.20
258.3056030	0.30
259.1927185	0.20
260.0505371	0.19
261.1474304	0.31
262.2196045	0.29
263.1300354	0.15
265.1000366	0.30
266.4744263	0.09
267.2882996	0.20
269.2547607	0.04
271.1412048	0.24
274.0398865	0.95
275.3045349	0.04
276.0448608	0.03
277.0158997	0.05
278.1145630	0.05
279.3206787	0.13
281.2963867	0.07
283.1934509	1.30
284.1022339	1.91
285.1715393	1.63
286.2401733	0.21
287.4532776	0.04
288.1879578	0.15
292.1790161	0.12
293.0334778	0.39
295.1211548	0.06
297.4425659	0.07
299.3229675	0.02
301.0897217	0.20
302.2588501	17.45
307.1151123	0.03
309.2118225	0.23
311.1351318	64.69
312.3532104	0.64
313.2655029	5.75
315.4894104	0.04
317.0111084	0.13
320.1531982	3.07
321.5326538	0.05
323.3595276	0.04
330.1752625	20.18
331.2700195	0.08
332.2621155	0.10
333.1209106	0.06
335.1936035	0.23
338.3359985	0.02
339.2170715	0.11
341.2955933	0.12
342.1694946	0.08
343.3170776	0.06
345.0149536	0.14
346.0805969	0.06
348.2011108	1.19
349.2056885	0.37
350.2096558	0.06
353.3906860	0.03
354.3923645	0.03
356.1986084	0.03
358.5840454	0.20
359.1965637	3.22
361.1759644	1.27
362.1612244	0.15
363.2297974	0.31
364.1731262	0.16
365.0151367	0.05
366.1388855	0.18
367.3266296	0.14
369.0293884	0.10
370.5415344	0.05
377.2076416	15.81
378.0860596	0.06
381.9111023	0.18
382.5115967	0.01
384.0423279	0.27
387.1907043	4.43
388.1791687	0.19
391.0381165	0.16
402.0707703	0.17
405.1579895	100.00
406.0820312	0.24
408.5386658	0.04
413.5144348	0.13
415.3701477	0.02
416.7610779	0.17
422.7029724	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	469.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
151.0483398	0.08
167.0021210	0.20
168.9373627	17.89
169.9868774	0.54
171.2803497	0.10
211.2886047	0.20
221.1048279	0.17
222.9534912	0.08
234.8763580	0.25
245.9650879	0.04
259.1373291	0.25
272.3277893	0.28
275.0451050	0.21
293.3423157	0.26
299.1846619	0.22
301.2633972	0.52
308.1018982	0.32
308.7205811	0.36
317.2743225	7.73
321.1082458	0.59
362.7681274	0.08
365.4786987	0.07
370.0508423	0.24
379.4859009	0.12
384.2162170	3.73
384.8455505	0.86
393.3090515	100.00
403.2736816	0.13
420.8462524	0.07
429.0361023	0.26
431.0864868	0.34
446.6633606	0.47
447.3153381	0.45
448.3483582	0.22
465.0433655	0.07
484.4757690	0.19
511.1297302	0.32
573.4304810	0.10
599.3582153	2.35
600.4197388	0.66
615.5513306	0.13
617.2603149	8.46
618.3970947	3.05
636.2904663	0.11
725.0885010	0.23
726.2834473	0.80
769.1506958	51.05
770.1849976	14.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	655.1869
Annotation	Hellicoside
Peak:m/z	Relative Intensity
200.1261902	0.09
222.0589447	0.13
258.0758057	0.04
267.1924133	0.15
269.2348328	0.12
270.0932617	0.16
285.0958252	0.06
287.0977478	0.18
288.2180786	0.26
297.9463806	0.41
307.4690247	0.20
308.3202515	0.25
313.2568970	1.21
329.1038818	0.07
330.4588013	1.24
331.1105957	9.14
335.5460815	0.17
336.2105713	0.06
339.0637207	0.31
355.1477051	0.22
361.3522949	0.78
369.4132690	0.34
382.4006348	0.10
433.1990356	0.09
439.0368652	0.11
448.2780151	0.07
449.2704468	0.78
463.1894531	0.57
468.5607910	0.15
475.2546997	15.61
477.1818237	0.29
481.5031738	0.04
483.5890503	0.13
485.5396118	0.20
491.4031982	0.08
493.2530518	100.00
506.5237427	0.05
515.1625977	0.22
516.1907959	0.06
517.3223877	1.95
518.3419800	0.28
522.2501221	0.16
523.3162231	0.45
525.4621582	0.19
533.4357910	1.09
535.3200073	5.53
557.5079346	0.28
559.1629028	0.48
565.4448242	0.84
567.2983398	0.33
568.4549561	0.33
569.5529175	0.39
576.4336548	0.19
584.1850586	0.18
590.0844116	0.93
595.1986694	15.58
595.8403931	0.05
597.2233887	0.27
599.3360596	0.12
601.3428345	0.19
607.2951050	2.82
609.2747192	0.19
611.7429810	0.20
616.9805298	0.39
619.3233032	0.03
620.2583618	2.56
624.5409546	0.63
625.4565430	0.84
635.4677124	0.25
637.3597412	9.07
638.5911255	0.08
646.4026489	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.0927
Annotation	6-O-p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
94.8410721	0.09
96.8404922	0.08
101.9620819	0.09
110.8597107	0.41
112.9665985	0.43
115.0601807	0.07
117.0006256	2.22
119.0784073	8.97
124.9458694	2.73
133.1824646	0.09
137.1877747	0.06
143.0994263	0.23
145.0092773	96.57
155.2016754	0.17
158.2097168	0.04
159.1216736	0.05
161.0957947	1.20
163.0031891	100.00
163.9976196	0.30
165.0215912	0.25
168.1656189	2.03
169.0716248	32.03
169.8767090	0.07
171.0110931	0.24
171.9639893	0.37
173.0352325	0.61
176.9170532	0.27
178.9717712	0.16
181.1183014	0.15
183.0424194	0.34
185.2101135	0.15
187.0535278	49.96
188.2924805	0.21
189.0680237	0.44
191.1395416	0.58
203.1341553	0.42
204.4909973	1.09
205.1265259	10.05
206.2236938	0.10
215.0994263	0.41
216.9283142	3.26
219.2280273	0.29
225.0917664	0.03
229.1324768	0.97
235.1579895	10.04
237.1066895	1.00
239.1871338	0.04
245.0166626	0.89
247.1718750	0.08
249.2320862	0.15
250.2266235	0.09
252.1708069	0.11
253.3453674	0.20
261.3375549	0.18
263.2612915	0.47
265.1934814	17.90
266.7558594	0.04
268.1212158	0.35
271.0890503	0.05
279.1960754	1.04
279.9345703	0.18
281.1264038	5.81
282.1928711	0.37
283.0796509	0.03
287.1586914	0.06
289.1658325	42.80
295.2029419	0.21
296.3803406	0.07
303.6033936	0.23
305.3054199	0.23
307.0868835	3.17
310.0877075	0.05
316.0640869	0.08
324.9782715	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0669
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
125.0214386	3.34
138.6894531	0.02
150.8806763	0.03
169.010498	100.00
178.9084473	0.03
192.9605713	0.08
195.0646057	0.02
271.1348572	0.21
313.1185303	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	696.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
244.6802521	0.15
264.0304871	0.34
273.1383057	1.48
275.3777161	0.08
307.0585938	0.10
313.3057251	0.49
324.8569641	0.49
342.7285156	0.38
354.1517334	18.51
355.0709839	0.60
356.8485718	0.04
357.7555542	0.04
365.1818848	0.43
370.9821777	0.14
413.0620728	0.31
425.1320801	0.71
435.1668701	0.66
444.0156860	0.23
455.1439819	0.43
458.4855957	0.17
484.9326172	0.09
500.6443481	0.13
516.2081909	0.32
525.1358643	100.00
533.4898071	1.09
535.3024292	0.15
542.9655151	0.48
549.3427124	0.48
561.9407349	0.19
563.3320312	0.39
579.8717651	0.05
599.6259155	0.23
617.1719971	0.25
678.1303711	0.18
679.4193115	0.81
707.4068604	0.70
867.2616577	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	450.2625
Annotation	PE(16:1(9Z)/0:0)
Peak:m/z	Relative Intensity
139.9740448	0.19
152.9982910	0.03
167.0305786	0.03
181.8166504	0.16
182.9198608	0.13
195.9283752	0.21
209.2972717	0.02
214.0561829	1.94
220.9796448	0.03
229.2334595	0.04
234.4237671	0.04
237.2709808	0.04
237.9812317	0.02
249.8306580	0.03
253.2443542	100.00
253.8640442	0.20
265.1440430	0.03
266.4521790	0.04
269.4212341	0.04
279.1357727	0.01
288.2452698	0.05
308.1846008	0.05
324.5975952	0.04
329.2062988	0.05
343.0799561	0.03
352.3682251	0.06
355.4307251	0.01
358.2102051	0.07
359.3052368	0.08
361.8467712	0.07
369.6428528	0.02
375.3414917	0.02
376.1314087	0.02
379.1605530	0.04
382.4337463	0.01
388.1615295	0.05
389.0605774	0.04
390.0408936	0.03
397.1976624	0.09
405.3135071	0.02
406.5788879	0.10
411.4964600	0.03
413.4846191	0.07
414.3455505	0.51
419.6759949	0.04
421.2286682	0.03
422.2212830	0.05
423.1767273	0.01
431.2599182	0.22
432.2485352	0.39
433.0984802	0.06
434.4153748	0.03
435.5009155	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	316.2838
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
90.9638443	0.05
92.96748352	0.26
95.04634857	0.61
96.87828827	0.40
102.0013351	0.22
105.0814972	0.19
106.8608856	0.27
109.038765	0.21
111.4398041	0.15
118.9380188	0.22
120.0345459	0.12
121.1101227	0.79
121.8116226	0.11
122.8911285	0.11
125.1197205	0.53
126.740181	0.19
131.8713684	0.09
133.0043488	0.07
135.1436005	0.62
137.0039978	1.46
139.1756134	0.09
140.9248352	0.06
147.1092529	0.09
149.028717	0.37
150.9269104	1.03
153.1738281	0.05
154.9692688	0.50
156.9867859	0.17
161.3289795	0.35
163.1905823	0.64
163.8536377	0.08
164.781189	0.12
168.6777039	0.06
175.2071838	0.20
178.9273376	0.34
183.4490356	0.05
187.2762756	0.06
189.3196716	0.13
191.0338593	0.21
195.0125275	0.23
203.0072784	0.20
204.0212097	0.37
205.2486572	0.05
206.0749512	0.07
207.2106323	0.82
211.0145874	0.20
212.0994568	0.44
216.9695435	0.14
219.5285034	0.65
221.287323	1.51
225.0410156	0.25
227.2186584	0.14
229.6876831	0.22
231.2289124	0.13
233.3647461	1.55
237.2055359	1.13
239.1354065	1.80
242.3135376	1.03
245.2731323	3.59
246.08255	0.25
249.6293335	0.46
250.3347473	1.51
251.2348633	1.22
252.3986816	0.36
253.2748718	0.37
254.3751221	0.32
256.1383667	0.39
257.3280029	0.23
259.2001953	0.23
262.2831726	3.57
263.3191528	3.74
267.1870117	3.20
268.2073364	1.86
270.8468323	0.20
273.1402893	0.04
274.0040283	0.13
274.9746094	0.81
280.2779236	61.52
281.2835083	0.94
283.0856628	0.36
285.2119446	0.47
286.2194214	0.11
288.1947937	0.10
292.7442322	0.20
298.2832642	100.00
299.1579285	3.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	377.09
Annotation	Lactulose
Peak:m/z	Relative Intensity
113.3300171	0.03
143.1079102	0.03
161.0455322	0.03
179.0767212	0.66
197.0494385	0.44
215.0780182	10.58
250.5910339	0.02
341.2431030	100.00
387.4309692	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	635.088
Annotation	Gallotannin
Peak:m/z	Relative Intensity
193.1846161	0.01
207.0628052	0.04
211.0918579	0.12
235.1192322	0.03
236.2757874	0.02
241.2421722	0.03
243.0216980	0.01
259.1892395	0.04
271.1021729	0.12
275.1196289	0.01
276.9318237	0.01
295.2103271	0.08
296.1221924	0.02
301.1012573	0.02
303.1976318	0.05
313.1268311	0.55
314.2944336	0.06
321.0252380	0.06
331.1984253	0.16
332.3304443	0.06
343.5177612	0.01
361.2592163	0.01
362.2401733	0.02
393.4498901	0.03
400.3074341	0.02
405.2149658	0.02
423.0983887	0.24
424.0497437	0.04
439.1591797	0.04
440.3061523	0.00
447.2194214	0.10
448.2690430	0.02
451.5551758	0.02
465.2047119	100.00
466.2102661	22.55
467.4449463	0.02
473.2407227	0.01
483.2067261	89.99
484.1431885	21.00
485.0227661	0.01
492.3034058	0.01
503.4107666	0.03
519.1306763	0.01
524.1180420	0.01
531.4013062	0.02
532.4489746	0.01
538.5614014	0.02
545.2013550	0.07
549.3414917	0.01
555.0317383	0.01
573.2293091	0.02
574.8893433	0.01
587.1735840	0.01
589.4437256	0.03
590.1659546	0.04
591.3697510	0.11
617.1365967	0.15
618.2095337	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1243.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
465.2726440	0.02
619.0870361	0.03
635.2369385	0.04
768.6058350	0.04
769.3399048	0.10
770.1528320	0.01
787.1422119	0.42
921.1645508	0.19
939.1214600	33.62
940.2496338	0.08
941.0217285	0.01
1072.1582030	0.02
1072.8654790	0.03
1073.5651860	0.04
1090.9260250	100.00
1091.8929440	0.30
1212.5002440	0.03
1225.8809810	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	493.1194
Annotation	4'-O-Galloylsucrose
Peak:m/z	Relative Intensity
149.0772552	0.07
151.0501862	0.43
160.9699707	0.08
166.9587555	0.03
168.4273071	0.59
169.0287170	6.08
170.0362701	0.66
179.0929871	0.36
183.0504456	0.05
189.1178894	0.13
190.3877869	0.07
191.3877563	0.07
193.1130371	0.42
194.1753540	0.09
195.1651306	0.05
204.7338409	0.05
211.0925598	2.18
212.0610809	0.35
221.0049744	0.13
223.1442566	1.76
224.2192688	0.17
225.0237579	0.12
233.2118225	0.13
235.1985474	0.05
236.1272888	0.11
238.1283264	0.02
241.0274353	8.47
242.1930847	1.18
251.2190094	0.11
253.0635681	0.08
271.1077576	17.14
272.1287537	2.06
272.9114990	0.10
283.1486206	12.85
284.1436462	1.81
285.1818542	0.09
289.1038208	0.07
295.1378174	0.23
296.0432739	0.16
299.0941772	0.03
313.1285400	100.00
314.1362915	19.80
315.0972900	0.48
317.6379700	0.02
319.4362488	0.08
322.2711792	0.07
326.1924744	0.08
331.1033936	17.13
332.1896362	2.83
341.3846130	0.18
346.9470520	0.04
354.1706238	0.07
355.2543945	0.02
359.0628967	0.05
362.0137939	0.09
372.4493408	0.03
373.2635803	0.26
386.2723389	0.06
388.9783020	0.09
398.3039856	0.20
403.2438049	1.66
404.1681213	0.20
420.0643311	0.05
433.2228699	0.59
434.1897278	0.04
448.0915833	0.42
456.0284119	0.21
457.0901794	0.08
458.0693054	0.16
466.3057251	0.04
474.1463928	0.08
475.9055786	0.21
483.2249146	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	567.2998
Annotation	Adouetine Y
Peak:m/z	Relative Intensity
208.9681091	0.07
213.9568481	0.18
222.1603699	0.06
225.2462158	0.43
233.1033783	0.22
267.3447876	0.11
269.1963806	0.24
273.0941162	0.35
299.1386719	0.18
305.5637207	0.09
308.3638916	0.06
311.2919312	0.37
313.3336792	0.06
315.1021118	0.09
320.2318726	0.09
321.0811157	0.20
325.2863770	0.09
339.3442383	0.09
345.0103760	0.13
345.8629150	0.08
348.1900635	0.46
352.2012329	0.34
353.2580566	4.27
354.1580811	0.55
355.1473999	0.51
370.9926758	0.16
371.8594360	0.24
372.5260010	0.07
393.4945679	0.25
396.5001831	0.13
397.1763306	0.10
409.3291626	0.43
411.4267578	0.33
412.1883545	0.58
435.5134277	0.08
439.4590454	0.08
461.7018433	0.08
463.2871094	0.44
464.2608032	0.48
465.5701294	0.14
466.3318481	0.12
468.4020386	0.05
470.4752197	0.11
471.2185059	0.11
472.1463013	0.20
479.1907349	0.23
480.2297363	0.19
481.5455933	0.08
483.0678711	0.05
489.5907593	0.07
495.1359253	0.09
496.4346924	0.37
506.2029419	0.09
507.3436890	2.63
508.4819946	1.23
509.4786987	0.79
510.3883667	0.35
514.3492432	0.05
521.3003540	0.31
523.3751221	100.00
524.4125977	32.03
525.5040283	7.89
527.6588745	0.25
531.4361572	0.04
535.9600220	0.08
540.2109375	0.42
544.4664307	0.05
545.3365479	1.24
549.6166382	2.09
550.3613281	0.90
551.3630371	0.97
552.5896606	0.44
553.4744263	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.0471
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
175.1919556	0.02
176.9980011	0.12
182.2356567	0.06
192.9167786	0.02
204.7970276	0.13
211.0819092	2.82
212.1832428	0.12
222.8600769	0.12
241.0114288	0.94
245.0561371	0.12
259.0169678	0.59
262.0984802	0.15
263.2175598	0.04
271.1168823	0.06
273.1487427	0.08
280.0169678	0.81
284.7285156	0.08
291.0533752	0.04
305.3184204	0.15
311.1754456	0.02
314.9031677	0.09
321.1430664	0.77
323.1176147	100.00
339.2788086	0.04
343.0167236	0.10
355.1130371	0.25
362.9761353	0.22
364.0368042	0.02
367.0682373	0.02
369.0575562	0.10
372.7812500	0.07
381.1845703	0.08
385.1419678	1.73
394.9890747	0.27
400.9279175	0.05
403.1653442	2.51
415.0415039	0.12
417.7926025	0.02
419.0420532	0.49
421.1209717	0.56
424.1701050	0.11
428.1505127	0.09
429.1652222	0.17
432.8970947	0.24
445.2870483	0.05
459.0639648	0.09
466.7627563	2.14
467.5379639	0.02
474.0825806	0.15
485.9846802	0.07
517.9963989	0.06
518.9866333	0.17
528.8435669	0.06
547.0422974	1.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	540.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
161.9448090	0.19
170.8728333	0.09
179.0380554	1.00
187.0860443	0.03
188.1049500	0.02
192.7680054	0.02
207.4661407	0.02
215.0704346	0.21
216.1353912	0.14
221.0195923	0.02
226.9974365	0.06
231.4899902	0.06
233.0726013	2.36
237.1254730	0.04
239.2739563	0.02
240.1951141	0.07
244.1149597	0.03
245.0789337	0.06
251.1499481	0.08
251.8548889	0.03
257.0324707	0.04
258.9150391	0.02
270.7356567	0.09
271.9379883	0.11
275.1463013	0.02
276.3783569	0.03
284.0894775	0.38
288.1567993	0.06
290.1176453	0.29
290.8674927	0.14
292.1289062	0.09
293.3300171	0.10
295.7498169	0.04
300.9473572	0.06
302.2456055	0.09
306.1801758	0.10
306.8285522	0.10
308.1802368	7.97
318.0423584	2.32
318.9965210	1.83
319.6052246	0.06
323.1612549	0.03
326.0357666	0.01
334.0286865	1.10
335.1444702	2.06
336.0949707	27.12
341.0259399	0.06
342.3468018	0.12
344.2127075	0.24
352.3047485	0.04
353.3819580	0.09
359.1911621	0.05
360.2911987	0.06
362.1039429	0.91
367.9129639	0.03
370.2781372	0.07
374.4443970	0.13
375.0931396	0.85
376.2029419	0.15
377.3115845	0.17
378.2943726	0.19
379.9224243	0.03
380.6818848	0.08
386.7755127	0.04
393.0657959	3.48
394.2413330	0.31
395.4592285	0.05
399.4977417	0.08
401.1196899	0.11
402.0729980	0.83
405.3513794	0.11
409.1225586	0.48
411.1796265	100.00
413.1638184	0.84
419.3295898	0.04
420.2151489	0.13
429.2040405	0.08
431.1164551	0.24
437.5927734	0.11
443.8087158	0.03
446.1158447	0.12
447.1319580	1.11
448.0140991	0.17
458.6465454	0.03
465.2136841	14.22
470.2921143	0.04
471.8767090	0.05
473.9716797	0.02
475.1913452	0.15
477.2352905	0.56
483.6947632	0.02
488.0620728	0.14
496.2770386	0.06
499.2260132	0.39
503.5338745	0.08
504.3214722	0.61
506.2561646	0.23
510.1672974	0.15
521.6074829	0.79
522.2590942	8.43
523.2989502	0.33
530.4588013	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.2502
Annotation	7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
191.0421143	0.15
192.8581238	0.14
197.2670898	0.05
202.7661133	0.03
211.1279449	0.30
212.3440704	0.10
221.0754395	0.10
222.7593689	0.05
243.3225708	0.13
250.8846893	0.12
258.7534180	0.07
261.2459717	0.17
290.9349976	0.02
297.2785034	0.06
307.4090271	0.04
310.9909668	0.43
311.6130676	0.03
312.9266357	0.08
315.1083069	0.05
323.1411133	0.44
325.1142578	0.08
339.1218262	0.04
340.2767944	0.04
341.1285400	0.11
343.4319458	0.18
359.2942505	0.94
371.0655518	0.05
382.6397705	0.19
384.4395142	0.08
385.3259277	0.26
387.1611938	0.18
391.2141724	0.12
395.3715210	0.08
400.9074097	0.15
402.3522949	0.06
403.3957520	0.68
409.4798584	0.13
414.2250366	0.19
426.0389404	0.16
430.1974487	0.12
431.3036499	0.09
432.2110596	0.06
433.3428345	0.34
434.6693726	0.07
444.4318848	0.18
445.2639160	0.55
447.3006592	0.05
461.1494751	0.13
467.1989136	0.18
469.3028564	0.11
475.1710815	0.35
477.3721313	0.11
478.8357544	0.21
489.5213013	0.04
493.0717773	0.07
494.5354614	0.04
501.9751587	0.15
504.5537720	0.09
507.1654663	0.05
518.6054077	6.54
519.3095093	100.00
520.0467529	0.42
521.1633911	0.07
529.6585693	0.17
532.6060181	0.03
533.4960327	0.21
542.1190796	0.23
547.1082764	0.79
548.0121460	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.8627472	0.73
109.0363922	1.60
110.8558807	0.13
116.8329086	0.05
120.9111633	1.64
123.2501755	0.29
124.0249557	0.15
125.0484772	0.03
129.1603394	0.14
130.8566437	0.19
133.0567627	0.68
135.0527954	2.48
136.7650299	0.36
140.8165741	0.14
142.9251251	1.05
145.039093	0.09
146.8733215	1.16
149.010376	2.10
151.0575256	1.11
155.4209595	0.11
157.0227051	0.99
163.0614777	0.55
165.0944366	1.14
167.0621948	0.36
169.0802917	1.72
170.033905	0.05
170.8821411	0.04
172.2712402	0.16
173.0632172	1.97
175.271759	0.18
177.0162354	0.08
179.0347748	0.68
183.1128387	2.77
186.1706848	0.22
187.0871735	1.73
191.0959778	0.09
193.1110535	0.33
195.1576233	0.07
197.0925446	0.90
200.2501984	0.10
201.0350952	1.02
203.3026733	0.11
205.2198792	1.18
206.2989807	0.37
209.3995361	0.14
210.9553528	1.66
215.2025452	0.94
217.0128479	1.13
219.3076172	0.28
221.2091675	0.18
223.2466125	1.25
225.2210693	0.49
229.1164246	0.57
231.2352905	1.56
233.1850586	0.14
235.1437378	0.32
238.9960327	0.40
243.1356812	0.43
245.2425537	2.80
247.2597046	6.07
248.5358582	0.09
249.2697754	0.32
255.2505493	0.18
257.1244507	0.91
259.2512817	1.54
265.1445923	0.09
266.0635071	0.07
267.6183472	0.31
269.3671265	0.53
271.2427673	1.17
272.9434204	0.15
273.6199951	0.11
277.4586182	0.23
278.290741	0.16
279.0111694	0.16
280.3233337	0.24
281.2133179	0.10
283.2572021	0.39
287.192749	0.46
295.2459717	1.61
296.0752563	0.04
297.2697144	0.73
299.2983398	1.79
303.4838257	0.13
305.2319031	3.54
313.1285095	1.83
323.2442627	100.00
324.0365295	0.99
331.8327332	0.12
341.2235413	0.99
341.9633789	0.09
345.7852478	0.09
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
96.90699768	0.21
98.79586792	0.55
113.0896149	0.15
123.1620178	0.62
125.0923767	0.70
127.1209488	0.56
128.8792572	0.15
135.1834717	0.55
137.0821381	1.28
139.0845947	1.33
140.9159851	0.55
143.0977783	1.42
147.0788269	0.10
151.0524597	0.19
153.0037231	0.66
155.0600281	1.73
157.1343384	1.08
163.0958405	0.74
167.0554352	0.66
169.1217651	2.24
170.9354248	0.50
172.8152466	0.29
179.4837952	0.98
181.0597076	0.23
183.1436157	0.93
185.1354218	0.33
186.0879364	0.59
188.3458252	0.15
189.0223999	0.25
194.9308777	1.65
197.2825928	0.90
199.1874084	0.37
200.9618835	0.32
208.9159241	0.29
211.144928	4.40
213.0890198	1.39
215.0410156	0.08
219.4412537	0.34
223.1639404	0.50
225.1341248	1.18
226.0018616	0.11
227.2271118	1.66
228.9049377	1.31
231.3246765	0.35
233.1841431	0.93
235.0639648	1.98
236.9901428	0.85
239.0387573	1.11
241.0838623	0.35
247.1472778	4.07
249.3472595	1.62
251.055481	2.64
252.2680359	0.62
253.1520386	7.09
254.4121094	0.33
257.2171631	1.50
265.1546021	4.83
266.3031311	1.60
267.2925415	1.86
269.111145	1.58
269.9841003	0.16
275.1408997	10.27
278.9042969	0.24
279.9338989	0.73
281.161499	0.51
282.4085999	0.11
283.2714233	2.40
286.7756958	0.36
287.9648438	1.30
289.6652527	1.22
290.460022	1.08
291.2006836	0.26
293.2191162	100.00
310.6629639	0.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	493.2284
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
149.0427094	1.41
160.9609985	0.11
190.9265442	0.43
198.9403076	0.07
220.7756805	1.05
226.7814484	0.35
238.5534210	0.13
240.9072418	0.18
243.9608765	0.27
250.6921997	0.56
259.3045654	0.05
261.1470642	0.36
264.0946960	0.11
280.7413635	0.08
289.2791748	0.20
301.0610657	0.09
305.3578186	0.08
311.0743103	1.93
313.3679199	1.01
315.2658691	7.13
324.3950806	0.33
329.1600342	0.15
330.3723755	0.40
331.2821960	3.82
345.3374634	0.39
360.5304871	0.09
377.3683777	0.13
385.0758057	0.40
394.7850342	0.25
404.5249939	0.08
405.1930237	0.13
407.1575012	0.30
411.5214539	0.13
417.7624817	0.18
432.3857117	0.42
433.3252869	0.75
436.6991882	0.08
441.2687683	0.43
447.1502380	100.00
447.7588196	0.55
448.7897034	0.59
449.5745544	0.48
451.2124939	0.24
454.9622192	0.22
457.4068604	0.09
458.3859558	0.27
469.9432678	0.83
471.1174011	0.18
473.3511658	0.18
474.2494507	0.44
475.4170532	0.85
476.0481567	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
93.04359436	0.13
95.1716156	0.23
109.1729507	0.23
114.9662247	0.30
117.0698471	0.36
121.1285172	0.57
125.1458054	0.72
126.7492371	1.58
128.7654419	0.10
131.1568909	0.48
134.990387	0.20
138.9941711	0.44
141.1140137	0.82
143.0371704	3.65
146.710083	0.60
149.1757507	0.61
149.8855133	0.41
151.3330688	1.23
152.8756409	0.40
155.0544281	1.54
157.1944885	0.59
158.9807739	0.68
160.094696	0.31
161.0595093	0.43
162.9217377	0.31
164.215271	0.46
165.3690491	0.21
167.1034546	0.38
168.9805908	1.32
170.8439026	0.19
173.0977936	1.48
177.0185547	1.23
181.0682068	2.29
182.1803589	0.31
182.9690247	2.47
183.789856	0.75
185.199646	1.07
187.2039795	1.83
189.1591797	0.13
191.0638428	0.23
193.1712646	1.72
195.1484985	1.24
196.8808594	0.86
199.131134	0.22
201.0538635	0.16
204.3544006	0.64
205.0921021	0.62
209.2912292	0.49
211.2229309	2.07
213.0852966	1.40
215.0333252	0.69
217.2927856	0.11
221.4831848	1.02
223.2527771	1.01
224.3453064	0.21
225.0987549	1.39
227.2133484	2.33
231.3580017	0.96
233.0518799	2.23
235.1348877	1.61
237.1358643	0.32
238.9790039	0.84
240.9011536	0.58
247.0662842	0.69
249.2885742	0.47
251.1897583	5.63
251.930481	0.18
253.1139526	8.29
255.276886	1.80
257.2337341	2.15
262.1986389	0.38
265.2685547	3.75
266.3198242	1.62
267.2325439	0.90
269.0908203	1.54
270.1147461	0.53
275.1968384	22.45
275.8272095	0.76
283.1582947	5.92
284.2710571	0.21
287.6575317	0.81
293.2028198	100.00
294.0683594	0.75
302.383606	2.48
323.2453613	0.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	343.07
Annotation	Theogallin
Peak:m/z	Relative Intensity
99.9955444	0.03
100.9823761	0.52
101.9360962	0.24
103.0929794	0.04
107.8667755	0.07
109.2519760	0.04
113.0071487	0.85
114.0305786	0.68
115.0283203	0.24
116.0300980	0.05
116.7495956	0.03
118.9099655	0.98
119.9926758	0.31
120.9706192	0.07
125.0375443	0.88
125.9292908	0.07
126.8631897	0.07
130.9168854	0.25
132.0037994	0.34
142.9551086	1.13
143.9747314	1.37
145.0567627	0.19
149.0177002	0.25
149.9825439	0.18
151.0530701	0.01
155.3334656	0.03
161.0093689	0.97
161.9817047	0.66
162.7597961	0.17
166.9533081	0.05
168.9959717	8.20
172.8878937	0.06
178.9782257	5.14
180.0598145	4.45
181.0910950	1.53
191.0198822	100.00
234.2095337	0.01
255.1235352	0.13
282.1615295	0.38
282.9288330	0.08
298.2234497	0.02
299.2163696	0.11
325.2590637	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	448.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
145.1286926	0.30
174.8692474	0.29
194.8414001	0.43
232.1499481	1.86
237.4791718	0.21
250.0772705	5.74
254.9796753	0.47
268.1221008	100.00
274.0626221	0.21
286.1552734	73.70
289.3836670	0.13
297.3181152	0.37
315.1924438	0.25
316.4541016	0.07
327.0418091	0.13
329.6328125	0.26
339.6800537	0.19
350.0295410	0.25
357.7242432	1.48
366.5538025	0.37
371.3567505	0.12
380.9093933	0.18
384.4349976	0.11
388.0744019	0.05
389.6001587	0.37
394.3737488	0.10
402.1125488	0.13
404.3183289	0.09
412.0800476	1.23
419.1462708	0.27
420.3971252	0.08
430.1278992	66.68
431.0252686	1.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	372.11
Annotation	Unknow
Peak:m/z	Relative Intensity
127.2160645	0.08
127.9918213	0.08
133.0862427	0.40
134.3874664	0.47
136.0120697	0.31
145.1023102	0.80
164.6108398	0.39
176.9793854	0.60
178.0653992	0.12
192.9865417	2.22
209.7348785	0.51
220.9031982	1.33
236.2223816	0.27
239.1115112	0.13
258.8821716	0.22
261.3203430	0.11
264.9207153	0.58
265.5527344	0.11
266.1798706	0.39
281.4572144	2.94
282.9700623	0.93
284.1242676	0.58
288.2023315	0.21
290.4877625	4.78
291.5019531	0.41
297.5541382	0.06
300.8533630	1.70
301.4708252	0.10
308.9911194	0.37
310.3034668	0.50
317.1916504	0.22
318.9733582	1.06
325.7941284	0.06
327.2470703	2.55
328.3062134	0.61
329.4558105	0.22
330.1077271	0.19
336.5271301	9.83
337.1308289	100.00
346.1656189	0.20
353.9665833	4.99
354.9491577	2.42
355.5834656	0.30
356.2712708	0.12
381.0605469	0.16
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
88.91984558	0.30
98.79318237	1.37
113.045929	1.24
124.7967377	0.81
141.2558594	0.85
143.1629333	0.55
156.9899902	0.57
158.8392181	1.80
170.0964661	6.72
180.925827	1.27
183.0078278	100.00
184.0360413	16.02
185.1460419	2.05
186.2113342	0.71
190.0429535	2.78
197.0269165	14.49
198.1514587	11.49
199.3021851	3.17
200.1548462	1.12
207.2603455	0.59
211.0597534	1.89
212.3562927	1.61
223.1222229	1.78
223.9133911	1.76
225.1113586	5.51
225.9920654	5.35
227.288147	5.54
229.0910339	1.33
231.1539917	2.26
237.0064087	2.16
239.2262878	23.04
240.2179871	2.60
243.1085815	2.48
247.1881104	10.36
249.1273499	20.33
251.2908325	1.34
253.2451172	1.89
253.9622803	1.59
255.5417175	1.50
265.5830383	0.82
266.6066284	6.42
267.3616333	24.23
268.1647034	0.37
269.3878174	1.71
275.114563	4.30
282.5413208	1.85
283.3653564	6.52
291.2250977	2.27
291.991394	3.33
293.140625	50.69
294.2597046	1.17
295.124115	0.78
311.3245239	22.50
311.9972534	1.51
312.6464539	1.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.9391
Annotation	Unknow
Peak:m/z	Relative Intensity
115.1499405	0.04
158.9697571	0.56
228.1597900	0.05
229.1521606	0.14
271.1102600	0.14
273.0675354	100.00
313.2296143	0.03
340.5919495	0.10
341.2329712	1.10
342.6769714	0.01
359.9699707	0.01
369.4688110	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	647.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
191.2270050	0.15
285.2628784	0.06
296.1314087	0.10
343.1407471	3.70
396.3106689	0.10
414.5841675	0.13
427.2445068	0.05
441.0617676	0.03
451.9071655	0.06
453.3675537	0.09
454.2648315	0.06
455.1459351	0.31
461.7076416	0.07
465.2688599	0.21
476.1322021	0.21
477.5247192	0.04
479.3667603	0.12
484.3305054	0.13
485.3220215	0.06
486.4587402	0.05
495.0992432	100.00
495.7531738	0.07
499.0700684	0.10
500.1477051	0.04
525.5252075	0.03
526.1390381	0.03
550.4252319	0.13
551.5779419	0.15
554.5507202	0.13
558.6803589	0.05
560.2226562	0.69
561.3056641	0.47
575.2882690	0.06
583.3023682	0.07
586.2511597	0.08
589.0115356	0.11
593.0299683	0.07
599.1438599	0.06
601.3791504	0.24
603.1949463	0.55
605.3193970	0.12
611.3934326	0.16
623.2890015	0.10
627.0377808	0.17
629.0583496	0.13
632.3307495	0.10
637.7163086	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	335.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
124.0626373	0.07
168.0530853	0.15
182.9901428	100.00
183.7589874	0.02
208.9123535	0.62
209.5299683	0.02
243.2275085	0.01
263.2180176	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	718.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
228.5478821	0.15
248.0550385	0.43
265.1392212	0.10
276.1332397	0.10
277.2326965	2.06
283.0909424	0.13
288.9229736	0.34
290.0308838	0.31
296.8144226	0.31
301.1156616	0.40
309.1132202	0.58
318.9819946	0.65
321.0570068	0.27
327.1681519	0.40
328.1459351	0.22
331.0880127	0.19
349.0019226	1.06
351.0754700	0.16
365.2727661	0.43
369.0938721	2.34
370.1087646	0.31
378.2114258	2.47
379.1518555	16.34
380.0008545	3.37
386.1126099	4.76
387.0767212	72.50
388.0956421	19.58
402.1646118	0.21
403.4557495	0.70
405.0725098	0.58
405.7907104	0.57
410.9261475	0.66
412.2614746	0.27
419.1962280	0.07
428.0558472	1.00
429.2332764	3.49
430.0288086	0.17
445.1088867	0.16
446.1402588	0.31
453.8376465	0.13
457.8971558	0.33
470.5865479	0.23
483.2258911	0.27
488.9237061	0.59
513.0164795	0.52
531.1600952	2.58
532.0424805	2.80
538.9364624	1.95
540.0972290	1.95
547.6256104	1.72
548.9998169	100.00
550.0267944	29.57
551.1549683	0.62
552.6466675	0.41
556.3816528	2.58
556.9946899	27.71
557.9660034	14.95
638.0407104	0.55
690.0648804	0.09
693.7000732	0.75
700.9424438	2.94
702.1782837	0.86
703.6233521	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
102.9575653	0.21
107.2180862	0.47
109.0640717	0.43
111.2047729	0.12
116.6664581	0.49
120.1576996	0.70
121.1179047	1.13
125.1629181	0.19
133.0943909	0.29
135.1654358	1.04
141.0638428	0.94
141.8632355	0.32
143.0088043	0.20
147.0662384	0.66
149.0801697	0.44
150.1322479	0.24
150.9083557	0.33
152.0717773	0.09
153.0130768	0.17
158.8033447	0.69
161.1403809	0.31
162.945343	0.69
164.2723389	0.66
169.1881714	0.85
173.0571289	0.65
174.9005127	0.67
177.080719	2.33
178.0233459	0.36
179.0896759	1.12
183.1175232	1.16
185.2997589	0.35
187.1637115	1.29
189.100296	0.26
192.1734314	0.18
193.1886292	0.45
194.8351593	0.08
197.18396	1.24
199.0263214	0.66
201.2588348	0.17
203.2701111	1.06
204.9026947	0.27
206.9582825	0.37
208.5700989	0.41
211.1614075	1.28
213.0994568	1.04
215.3863525	0.35
216.9225769	0.84
220.7481079	0.14
223.4271545	0.72
224.9776917	0.09
227.2892456	0.48
229.2568054	0.78
231.2128296	0.47
235.1991882	1.37
239.2917175	1.22
242.9778137	0.75
244.6596069	0.33
245.3097839	1.57
247.1367493	3.75
249.3056641	0.18
250.8833618	0.85
253.0374451	0.92
255.1268311	0.38
257.1397705	1.13
258.1470032	0.32
258.9326172	0.10
260.1595764	0.30
266.9279175	0.32
270.3431702	0.14
271.3303223	0.78
273.2440796	0.52
275.3157349	0.25
276.9682007	0.20
279.1516418	0.21
280.3748779	0.55
281.5789795	0.39
283.2273865	2.08
285.0881653	0.46
287.0782471	0.43
291.111145	0.27
295.3262329	0.77
296.8948364	1.56
299.3247681	0.25
300.0749512	0.27
301.0945129	0.10
305.2203369	3.06
313.2419434	1.27
323.2409058	100.00
323.8431702	0.55
324.6170654	0.92
340.4663086	0.43
341.2684631	2.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	483.0777
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
138.7590332	0.04
151.1517639	0.03
165.2631531	0.17
167.0822144	0.02
167.7739563	0.32
169.0343628	5.80
177.1327667	0.03
178.9793396	0.09
182.9563293	0.02
193.0843964	1.75
211.0148468	6.39
212.1263123	0.24
216.9202881	0.03
237.1977692	0.02
241.1422729	2.44
242.0195007	0.14
246.1670990	0.05
253.0875244	0.10
253.9816284	0.14
261.3860168	0.05
267.2972107	0.03
271.1522217	100.00
272.1937256	1.68
284.2973938	0.10
287.2973633	0.06
292.0579529	0.06
293.2037964	0.04
295.1623535	0.08
296.8780518	0.06
301.0591431	0.04
302.0530396	0.09
303.1983643	0.05
306.3395386	0.07
313.1191101	22.53
314.4509888	0.28
318.3632812	0.17
319.2397766	0.07
320.2711792	0.12
321.2821045	0.29
325.1824646	0.03
331.1245422	29.77
332.1896973	0.47
337.1550903	0.04
355.6797485	0.21
359.2175903	0.15
361.2857056	0.04
365.0618286	0.08
367.3783264	0.33
383.2156982	0.04
384.8887024	0.11
387.1710510	0.18
389.0721130	0.07
392.3660583	0.28
393.1977539	0.15
397.2021790	0.03
402.2029724	0.13
406.1015015	0.23
408.3631287	0.11
423.1358948	1.46
424.0615540	0.06
437.0494690	0.17
438.0233459	0.08
439.1576233	1.92
439.9418945	0.06
445.2704163	0.08
447.1564331	0.16
451.3872986	0.10
453.2773743	0.30
454.4371338	0.03
464.1879578	0.37
465.2359924	0.77
473.5981140	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	281.1393
Annotation	3beta,10beta-Epoxy-1alpha,3beta-dihydroxy-4Z-germacren-12,6alpha-olide
Peak:m/z	Relative Intensity
85.02313232	0.06
96.90261841	0.11
104.8667603	0.03
107.1240768	0.09
109.0760193	0.13
110.9886856	0.32
113.0857391	0.04
118.9474487	0.04
121.0270462	0.04
123.0979691	6.20
128.9600525	0.07
133.0868225	0.32
135.0186157	0.02
137.1549377	0.17
139.0925751	0.09
139.9275818	0.04
144.9475098	1.18
149.3371124	0.06
151.0754395	0.13
153.0327759	1.21
159.046402	0.86
160.0711365	0.07
161.0735016	0.02
164.8954773	0.14
169.1877136	0.41
171.1404114	9.02
175.2032776	0.33
176.2942047	0.09
177.2606506	0.14
179.0284424	0.08
181.2709808	0.05
189.20755	3.92
193.2413025	0.06
195.1128235	0.07
201.1219177	5.08
205.2629089	0.09
207.1819458	6.75
209.0149231	0.13
217.0116272	0.08
218.4709778	0.48
219.1341553	11.32
223.1319275	0.16
235.1839905	0.79
237.1497192	100.00
238.3424988	0.10
238.9603271	0.14
251.0856934	0.03
253.0522766	0.19
261.0964355	0.15
263.0498657	0.93
264.2789001	0.02
265.2364807	0.29
266.1355591	0.07
281.3496704	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	655.1871
Annotation	Hellicoside
Peak:m/z	Relative Intensity
196.9516296	0.04
287.4800415	0.16
323.3009644	0.09
331.2257690	2.34
333.1604309	0.06
357.1772461	0.16
377.3162842	0.24
378.4320679	0.07
386.0463867	0.05
412.2447510	0.14
444.8544312	0.06
447.2941895	0.07
451.6468506	0.11
465.4733887	0.05
474.1884155	0.13
478.2424927	0.08
484.9104004	0.15
486.4158325	0.06
491.4472046	0.04
493.2452393	100.00
493.9053955	0.61
495.2731323	0.12
496.4494629	0.22
499.2491455	0.28
501.0097046	0.06
503.0784302	0.14
509.0447998	0.07
521.2695923	0.08
522.2847290	1.05
531.3320312	0.07
537.0310059	0.10
539.4747314	0.42
540.3323364	0.22
549.2987671	0.10
559.1306152	0.28
565.1096802	0.07
567.5391235	0.25
569.4807739	0.10
576.2781372	2.21
577.0336304	0.18
579.1100464	0.12
582.4876709	0.13
593.3860474	3.23
597.1038208	0.04
609.2319946	0.58
611.3079224	3.42
617.2640991	0.11
620.1154175	1.42
622.2686768	0.07
625.3181763	0.06
628.2006226	0.43
633.1901855	0.76
635.1533813	0.06
637.2708130	3.55
638.6864624	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.2862
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
148.7878571	0.19
179.1206055	0.11
185.1101685	0.13
191.0677185	5.36
216.8211975	0.19
220.2456665	2.68
220.8552856	7.14
221.8348846	0.45
238.9325104	1.99
245.3582458	0.32
247.2206116	0.18
249.5697021	0.15
251.0001526	5.86
251.9964752	0.40
263.0028381	0.58
264.0765076	0.38
274.7891235	1.16
275.5534973	0.25
280.8983765	0.95
284.3334961	0.36
289.3059692	0.28
293.1117249	4.87
294.0823364	0.16
301.2208862	0.06
310.3360596	4.38
311.0238647	34.77
311.9528198	4.25
323.1308594	0.06
341.1085815	0.17
374.3137817	0.14
386.4678345	0.28
387.1864014	0.20
390.0862427	0.09
394.1812744	0.35
399.1546021	4.27
399.9888916	1.03
408.3964233	0.18
415.2067871	0.51
417.6402588	0.62
431.7185059	0.36
447.1906738	0.14
455.2597656	0.09
456.4893188	0.24
464.1401978	0.36
465.2592163	0.48
481.2836914	0.71
483.4672852	0.21
488.3850708	0.12
489.4288330	1.58
490.3413086	0.39
491.4609985	0.24
494.4337158	0.11
501.1286011	0.19
502.6703491	0.04
515.2106323	0.17
516.4480591	0.15
529.1656494	0.34
531.1740112	100.00
532.2421265	17.94
533.2443237	0.14
540.3248901	0.50
542.1042480	0.70
547.2717285	0.10
550.4434814	0.12
560.3599243	0.45
564.0315552	0.10
569.1718140	0.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	316.2838
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
90.88679504	0.17
92.99427795	0.22
95.18960571	0.07
97.04440308	0.50
101.8584061	0.04
105.0777283	0.41
107.1483765	0.41
108.977005	0.52
109.8737259	0.17
111.9982986	0.11
119.0328522	0.55
121.0295868	1.01
123.0734024	0.63
124.9944153	0.25
133.1555786	0.36
135.0106354	0.75
137.048172	1.15
139.136261	0.15
140.7980042	0.19
142.2895355	0.20
147.0767517	0.38
149.1608887	0.07
151.0004272	0.63
155.2427673	0.07
156.2531128	0.25
163.0366821	0.42
165.0637207	0.28
166.8884277	0.09
170.3191528	0.06
171.3192749	0.06
175.025116	0.26
177.1451416	0.18
178.9695587	0.05
182.2024384	0.12
183.1900177	0.06
196.2116241	0.05
198.2324219	0.26
203.2865906	0.05
207.1277161	1.25
209.3314819	0.17
219.0627136	1.17
221.1068726	1.37
223.146759	0.10
225.163269	0.08
225.8342896	0.23
233.2102661	1.77
236.20578	0.17
237.3709412	0.42
239.01297	2.09
242.2771912	1.47
245.2537537	2.63
249.2557373	0.18
250.2120361	1.44
251.2276306	0.94
252.4065247	0.22
253.2196045	0.22
254.2654724	0.32
260.54422	0.20
262.3305969	4.44
263.2280884	2.02
268.1986084	1.72
275.2815552	0.62
280.2738037	56.71
281.118103	0.37
298.2783203	100.00
299.2353516	0.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2417
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
95.03733826	0.28
97.0178299	0.28
98.84248352	0.20
106.9674606	0.12
108.9841995	0.54
111.1017456	0.19
112.8235016	0.32
119.010231	0.04
121.0261612	0.27
123.110611	1.01
124.8798141	0.14
127.2096939	0.16
129.2150879	0.06
131.160614	0.13
133.1087646	0.09
134.9725647	0.45
136.9128113	0.74
138.8644714	2.79
140.8275757	0.25
143.0420227	0.43
147.1220856	0.23
149.1435852	0.49
151.0255432	0.10
153.069397	1.81
155.1157837	0.96
157.0466766	0.22
161.3499146	0.20
163.0913086	0.17
165.0657654	0.64
166.9556274	0.48
169.1098938	0.85
171.1430664	0.58
175.1668091	0.35
177.0742493	0.82
179.0585632	0.26
180.9627686	0.12
183.140686	0.82
185.2100067	0.14
186.3872986	0.07
187.2447357	0.09
189.0787201	0.45
191.3973389	0.23
193.1967468	0.58
195.1311798	0.65
196.9429474	4.86
199.1708984	0.91
200.8816223	0.35
203.1963196	1.42
205.046936	0.31
206.9893799	0.64
209.0628357	0.77
210.5249939	0.30
211.2363281	2.13
213.1593018	0.61
215.1417542	0.45
219.0689087	0.89
221.2496948	3.29
223.3223267	0.37
225.2371826	1.81
227.2674561	0.49
229.3592529	0.24
233.2212524	0.60
235.1174011	0.36
237.1882324	4.85
239.2421265	6.39
243.278595	0.66
249.2515259	0.15
251.2269287	1.56
253.1636353	1.59
255.3405762	2.82
256.9552612	1.48
261.1975708	1.55
262.4470215	0.19
263.2756958	0.37
265.4442749	0.17
268.27771	0.18
269.1328735	0.97
270.7507935	0.24
279.2271729	100.00
280.3223267	0.23
282.3001099	0.06
283.5765686	0.44
288.055481	0.21
297.1108398	0.17
297.8386841	0.35
299.0414429	0.14
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
93.01793671	0.18
99.00880432	0.65
113.1510086	0.13
115.2334747	0.10
119.1259003	0.13
125.27948	0.09
128.5635986	0.16
139.0919037	0.52
153.1460266	0.07
156.1902466	0.25
159.0651245	0.11
169.9346008	6.14
170.7896729	0.46
183.0039368	100.00
184.0057983	18.61
184.9514771	0.44
193.0201721	0.23
196.9999542	29.33
198.1254883	4.39
199.1772156	0.60
205.2128906	0.09
207.0343933	0.19
209.0617981	0.26
210.1382141	0.30
211.0983582	1.38
212.1119385	4.13
213.170166	0.32
215.1183167	0.14
220.9317932	0.11
223.5364075	0.30
225.1120911	3.04
226.0404968	2.81
227.1252441	0.94
228.3018188	0.25
233.416626	0.22
239.1711426	6.00
240.6092529	0.87
241.4561157	0.24
242.0682373	0.04
243.0999756	0.24
244.7183533	0.21
247.2825928	8.59
248.4121704	1.58
249.3089905	3.68
251.4511719	0.15
253.1549988	2.61
254.2420654	0.36
255.3184509	0.32
263.1461182	0.95
264.2590942	0.36
265.3024292	0.67
266.191803	0.26
267.2184448	5.17
268.1351318	1.54
269.4843445	0.58
275.1897583	0.57
281.3406372	0.42
282.2722778	0.41
283.1980591	0.82
293.2375488	13.19
295.0072632	0.30
311.2301636	15.53
312.3555908	1.92
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	364.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
121.9385071	12.96
138.8944855	0.05
140.8916473	0.03
143.1395111	0.16
150.9351501	1.09
158.1088257	0.06
161.1047974	0.35
163.1874695	0.34
165.2190552	0.21
167.0673218	0.11
168.9975281	6.47
179.0327759	1.21
181.2081604	0.35
183.0883026	11.24
185.0587158	0.19
189.0524139	1.10
194.8074036	0.05
202.2306213	0.44
206.4144897	0.63
207.1103516	17.26
209.0245972	0.36
214.2509308	0.19
220.3411255	0.23
223.0642700	0.21
224.9443970	100.00
241.0183105	0.68
243.0178223	78.12
247.0874329	0.17
256.9168091	0.89
258.9547119	0.81
265.0627441	0.14
269.2591553	0.22
274.4541626	0.37
275.1311035	1.20
282.0204468	0.59
283.1764221	0.08
284.0120850	0.04
300.0942993	3.01
301.1208191	0.11
302.0448608	1.35
302.6920776	0.04
304.1485596	0.19
310.1406250	1.89
315.0854797	0.08
318.1608276	5.66
319.4066162	0.09
328.0448914	8.30
329.0393066	0.37
333.3326416	0.32
343.5256042	0.05
346.1560364	19.95
347.1427917	6.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	183.0298
Annotation	4-O-Methylgallic acid
Peak:m/z	Relative Intensity
123.8932343	44.95
125.0435028	0.11
139.0200806	2.38
150.9848480	1.13
167.9311066	100.00
183.0107117	5.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	525.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
144.8770294	0.04
167.2859650	0.07
173.9142761	0.14
175.0156860	0.04
183.0722351	0.52
189.1711578	0.11
191.9974976	0.79
227.1632080	0.05
236.0527954	0.25
245.2867737	0.10
254.9599152	0.27
257.2196655	0.13
258.2821655	0.08
262.9392700	0.55
264.1112671	3.58
273.0717773	21.59
274.5161743	0.55
281.2073669	0.41
285.4591675	0.29
307.1184692	0.09
308.2748413	0.09
309.1273804	0.13
316.1718750	0.05
323.2141724	0.37
324.8671875	0.30
327.3094482	0.16
330.5952148	0.05
335.2887573	0.22
337.8369141	0.28
343.3507690	0.08
346.1531982	0.17
354.1092529	100.00
354.7786255	5.69
355.3986816	0.37
359.3408203	0.07
360.5277100	0.16
362.1535645	0.90
363.0527344	0.39
364.9274902	0.28
368.8840332	0.03
371.1102295	0.07
375.2031860	0.46
382.7971802	0.10
383.9915771	0.15
396.0405273	0.13
400.5578613	0.21
403.1724243	0.12
418.9756470	0.08
419.8782959	0.35
420.6416626	0.45
421.3449097	0.19
424.9240723	2.17
435.2008057	0.48
436.4122925	0.09
444.2839355	0.60
454.9881592	0.72
459.1407471	0.34
460.9302979	0.09
482.0221558	0.06
484.3018188	0.10
485.0443115	1.29
489.9835205	0.11
496.1228638	0.15
506.3833618	0.07
507.3988647	1.06
508.0787964	0.11
544.7509155	1.08
545.3735962	0.79
652.2984009	0.10
707.0646973	2.17
880.3560181	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0668
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
122.7899399	0.02
125.0066376	3.88
149.0516815	0.03
151.1993713	0.12
169.0134277	100.00
193.0293732	0.19
211.0266113	0.36
223.0029907	0.06
235.0873413	0.03
271.1738892	1.25
313.1723938	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.29
Annotation	Dictamnoside M
Peak:m/z	Relative Intensity
191.0252686	0.03
251.2294006	0.05
287.0897827	0.07
290.2771912	0.11
291.5109863	0.03
292.9365234	0.14
301.2680054	0.13
310.9943848	0.21
327.2602539	0.08
335.5629272	0.08
373.1812744	0.88
377.4812012	0.17
379.3552856	0.03
393.1604004	0.13
397.2782593	0.05
399.2797241	10.85
407.3140869	0.14
414.3627930	0.05
437.3765259	0.06
441.4479980	0.05
445.1123657	0.14
446.5646362	0.07
458.9451904	0.12
484.6183472	0.03
489.5264282	0.18
491.4495239	0.11
494.2000732	0.05
495.6660767	0.08
509.0888062	0.09
515.7190552	0.12
517.4083862	0.07
531.2312622	100.00
531.9370728	0.15
532.7121582	0.42
533.5338745	0.11
549.6219482	0.04
554.7109985	0.13
556.7052612	0.04
558.0594482	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	602.8826
Annotation	Unknow
Peak:m/z	Relative Intensity
174.9614563	0.96
216.1599579	0.02
256.9810791	0.12
272.9365234	0.14
289.0048218	0.20
358.9703979	0.04
403.1943359	0.17
443.1193237	0.36
444.2661743	0.08
463.1884766	0.08
467.1360474	0.04
469.0194092	0.09
487.7968750	0.93
488.9922485	0.68
510.8265991	0.09
516.1105957	0.05
517.7112427	0.19
518.9318237	0.08
527.8540649	0.11
529.1818237	0.05
545.0420532	0.03
556.8511353	100.00
559.0800781	0.69
562.9522705	0.05
572.0708008	0.28
583.9707031	0.03
584.8141479	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.28
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
158.1063232	0.13
162.1083984	0.08
169.2294922	0.10
186.0054932	0.15
196.2619476	0.21
214.1785431	2.48
214.8237915	0.22
224.1534576	1.11
238.0513916	0.29
240.0092163	0.12
241.4109497	0.24
248.4343872	0.63
255.2421875	100.00
255.8435974	0.39
269.4048767	0.17
271.3790283	0.46
277.2605591	0.05
278.2746887	0.24
282.2180481	0.21
288.4597168	0.17
303.2497864	0.10
323.1221313	0.13
325.1258545	0.09
340.395752	0.23
359.1854858	0.29
366.4308777	0.17
368.2889099	0.23
372.1978455	0.34
373.1009521	0.17
377.2556152	0.85
384.1956177	0.15
389.4444275	0.89
392.9084473	0.38
395.199707	0.21
399.3747864	0.35
406.0750427	0.49
406.7233582	0.53
408.3334045	1.25
410.1651611	0.11
414.0966492	0.93
416.2001038	0.33
417.65271	0.10
424.4217834	0.14
425.7054749	0.50
433.3148499	0.37
433.9151001	0.15
434.9753723	0.49
438.3166809	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	769.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
214.6916199	0.30
217.0780182	0.08
221.0572205	0.28
222.9511108	0.16
231.0232849	0.40
233.0576477	1.05
235.1422729	0.32
239.2101135	0.29
240.9800415	0.13
242.8298645	0.06
245.1746826	0.06
246.0366211	0.07
247.3648987	0.06
249.0158691	0.36
251.0978394	0.20
252.8861237	0.05
257.5430603	0.11
259.1026001	2.53
261.1379700	1.55
262.9376221	0.27
264.9357605	0.11
267.3231812	0.11
271.2199097	0.18
273.3850403	0.12
274.0184326	0.12
275.2675476	0.33
277.1457520	4.40
278.1142883	0.08
279.2671204	0.20
279.9943848	0.07
280.9609680	0.03
287.1224060	0.06
293.9844360	0.12
295.1356812	2.12
297.2046509	0.20
299.2634277	0.79
301.2694702	0.50
302.4600525	0.03
305.3789368	0.09
311.0621643	0.28
313.3303223	0.21
315.1274414	0.05
321.2421875	0.17
322.1507568	0.10
323.0234375	0.87
325.1968994	1.18
330.1070557	0.06
339.1776733	0.62
341.1558228	0.61
343.1122437	1.45
346.3147583	0.10
352.1569519	0.04
355.2382202	0.10
357.5066223	0.11
359.1629639	0.38
361.0056763	0.07
367.0511475	0.97
372.9316406	0.11
375.1057129	0.09
385.2236938	0.61
386.2323608	0.09
387.2011719	2.21
391.1394653	0.06
393.3004761	0.30
399.2512817	0.20
401.1997070	0.65
403.2733154	2.82
405.1690063	0.74
411.0330811	0.35
418.9502563	0.54
421.1155396	0.64
423.0292969	1.26
423.6531372	0.38
429.1209106	11.78
431.1738892	9.31
432.3993530	0.07
447.2188721	17.09
449.2373047	0.76
465.2064819	4.08
481.2525635	0.19
489.0989380	0.38
490.9631348	0.12
493.2925415	0.08
499.3867188	0.31
511.2074585	4.07
527.0886230	0.54
537.0513306	0.52
541.5825806	0.11
553.1830444	0.10
555.2216187	6.02
557.2658691	0.23
561.2534180	0.08
573.1784058	3.82
581.2609253	0.54
593.4551392	0.21
599.1273804	24.05
600.2350464	3.78
601.1973877	26.83
617.1909790	100.00
618.2312012	0.81
677.3314819	0.11
681.3408813	0.10
688.1742554	0.07
692.2349243	0.30
692.8981934	0.38
705.1328125	0.51
706.7279663	0.11
712.0712891	0.15
721.0593872	0.33
725.1139526	12.19
726.0397339	0.12
737.3995361	1.03
738.5564575	0.20
741.4252319	0.27
751.3599243	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	742.0675
Annotation	NADP
Peak:m/z	Relative Intensity
237.3800049	0.08
242.8998108	0.04
259.3037415	0.11
267.1369019	0.07
296.5392151	0.09
312.8745117	0.06
323.1777954	0.44
324.2956543	0.30
334.3155823	0.13
337.3037720	0.07
355.1287231	0.14
358.7388916	0.04
379.3189697	0.04
380.9984131	0.20
398.8845215	0.69
399.6307373	0.25
401.2592163	0.12
407.0501709	0.03
417.1370239	0.43
421.2725220	0.09
431.7501831	0.23
432.9204712	0.25
447.0526733	0.29
449.0456543	0.07
456.9963379	0.13
468.6708374	0.16
470.5051880	0.06
474.2080078	0.10
474.9008789	0.18
475.9743042	0.25
481.1909180	0.21
485.3352051	0.22
489.0181274	0.21
500.9702759	0.05
506.0904541	0.08
508.7175293	0.14
510.9929810	0.32
517.4635620	0.46
518.9266968	0.68
519.8779907	0.33
524.4721680	0.09
534.6909180	0.30
540.6360474	0.28
542.5620117	0.09
548.6537476	0.18
553.8779297	0.07
556.7957153	0.10
558.1608276	0.97
561.0165405	0.10
561.8225708	0.39
562.9716187	0.10
568.9843140	0.10
570.8792114	0.35
572.4688110	0.46
575.6791382	0.15
577.2290649	0.29
580.2248535	0.14
582.7635498	0.10
588.0106201	0.16
591.9783325	0.18
594.9268188	5.56
596.1586304	2.04
600.3585205	0.08
601.0291138	0.22
602.3847656	0.43
603.0984497	1.13
603.9090576	0.11
605.1055298	1.37
606.1409912	1.33
609.1921997	0.43
610.0195312	0.23
617.9933472	0.14
620.1151733	100.00
620.8858643	0.17
625.3787231	0.40
633.5941772	0.09
634.7780762	0.07
636.2062378	2.16
638.9180298	0.21
641.1300049	0.31
642.0568237	0.16
643.3529053	2.41
644.1338501	3.49
649.1364136	0.34
652.3825684	0.05
654.3441162	0.07
657.8153687	0.13
661.7200928	0.31
662.8654785	0.18
668.9014282	0.10
682.7844238	0.12
692.5357666	0.43
710.4014282	0.11
712.1878662	0.19
722.9690552	1.42
723.9701538	1.99
724.9086304	0.37
742.6484985	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	600.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
173.2109985	0.02
293.2850952	0.32
321.1599731	0.16
337.2638550	1.31
339.3959961	0.11
340.4995117	0.04
361.3385010	0.04
375.2372437	0.03
392.8973999	0.02
411.1159058	0.14
421.0623169	0.36
428.0104370	0.03
432.0225830	0.02
433.1735840	0.03
439.7727051	0.09
450.1176758	0.07
463.7371826	0.02
469.2092285	0.03
470.2526245	0.02
483.0314331	0.02
507.0994263	0.01
507.7625122	0.08
516.2619019	100.00
554.1751099	20.01
556.9899902	0.02
581.3205566	0.04
582.1577759	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	939.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
264.0251160	0.04
267.0855408	0.03
269.0670471	0.05
277.1524963	0.05
278.2567444	0.04
279.1698608	0.06
282.2293091	0.04
299.3172607	0.04
301.1481323	0.11
307.4045105	0.05
322.0962524	0.05
322.9949341	0.06
324.2102356	0.03
327.1944580	0.01
339.6049194	0.05
341.3070984	0.01
342.1634216	0.09
345.0950623	0.04
357.1126099	0.05
385.2090454	0.08
386.3623047	0.02
387.2601929	0.05
388.2886658	0.08
401.0943604	0.05
403.2179260	0.31
404.4593201	0.04
411.2713013	0.06
421.1991577	0.06
429.2269897	0.38
430.2317505	0.24
431.1380005	0.35
432.3071899	0.05
447.1636353	0.70
448.2370605	0.28
449.5786133	0.02
464.9444580	0.08
466.4667969	0.01
493.4537354	0.01
511.2686768	0.22
512.2994385	0.04
555.2078247	0.47
571.3394165	0.05
573.2088623	0.23
574.1751099	0.03
581.4944458	0.05
599.1356201	2.08
600.1235962	0.68
601.1938477	0.66
602.2509155	0.26
617.2208862	6.17
618.2439575	2.35
635.1083374	0.45
636.2091675	0.15
636.9656372	0.07
681.1965332	0.01
725.2440796	1.04
726.2357178	0.12
769.1921997	100.00
770.1274414	34.61
771.2196655	0.21
772.2684326	0.05
787.1508789	10.52
788.2190552	4.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1088
Annotation	alpha-D-Galactosyl-(1->3)-1D-myo-inositol
Peak:m/z	Relative Intensity
101.0214386	4.03
113.0564423	20.51
118.9077911	9.54
125.057373	1.70
130.8868103	7.86
143.0027466	8.47
149.0860291	5.71
160.9364929	36.83
163.1320801	2.74
179.0597382	100.00
246.1904297	1.22
250.8888245	1.33
252.9071045	0.82
255.1824341	0.89
267.9548645	1.67
276.5085754	2.98
283.1098633	0.77
294.8938599	15.49
296.9333191	28.19
303.050415	1.86
317.6821289	0.58
323.0966492	6.85
323.8010254	2.98
324.9155884	2.71
326.1350708	0.53
326.9465332	1.75
340.9049988	1.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1007.27
Annotation	Unknow
Peak:m/z	Relative Intensity
301.7368469	0.20
303.0707397	3.14
321.0917664	1.17
345.1964111	0.52
362.9646301	0.32
381.0506897	0.66
419.1262207	0.38
423.1832886	0.12
437.0169983	0.30
467.2674561	0.09
479.2250366	3.83
495.6321716	0.28
497.1732483	1.41
521.2458496	2.46
527.0718994	0.25
537.2634277	0.15
539.2288208	8.64
539.8510132	0.13
581.2088623	2.11
599.2971191	0.05
607.3084717	0.25
625.2033691	22.55
625.8073120	0.19
643.3063965	66.03
667.2135620	3.94
685.1904297	9.14
727.5371094	0.08
739.5633545	0.25
745.2437744	0.36
757.0738525	0.20
759.3054199	0.32
782.9171143	0.03
783.6162109	0.08
800.7457275	0.06
831.2819824	1.55
832.2559814	0.14
841.1049805	0.06
843.1628418	9.13
847.3796387	0.41
849.1634521	2.83
859.1594238	0.58
861.3563232	5.74
873.4959717	0.23
885.4790039	0.18
891.3048096	1.01
903.2397461	20.35
903.8463135	0.32
929.4548340	0.40
945.3149414	0.97
947.3659668	2.75
963.2658691	0.05
971.4589844	0.69
989.2192383	100.00
989.9233398	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1243.63
Annotation	Unknow
Peak:m/z	Relative Intensity
769.2598877	0.12
787.2103271	0.01
858.2493896	0.01
939.1383057	36.20
939.8804932	0.12
941.5759277	0.09
1073.1069340	0.01
1089.5566410	0.02
1090.9221190	100.00
1091.5463870	0.41
1115.9465330	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	169.0142
Annotation	Gallate
Peak:m/z	Relative Intensity
86.86878204	0.14
125.0337524	100.00
149.8661194	0.03
151.1141205	0.15
154.0449066	0.14
169.1657715	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	287.0958
Annotation	Tetrazepam
Peak:m/z	Relative Intensity
84.6763382	0.14
96.8510590	100.00
106.8621979	0.09
109.0192108	0.37
123.1380157	0.45
125.1551819	0.14
141.0986023	0.37
143.0814209	0.35
151.1882019	0.18
155.1971436	0.13
162.2527161	0.06
163.1295166	0.10
168.9096832	0.19
171.1444092	0.09
174.3463135	0.13
177.1976929	0.12
179.1666870	0.70
183.0032043	0.15
185.1043396	0.20
193.1664429	0.15
197.1513062	0.95
199.1759033	0.22
201.2205200	0.33
202.2368164	0.31
203.0791016	0.37
206.1499634	0.16
207.2247925	0.34
208.2929077	0.19
213.3246155	0.49
215.0720215	0.24
217.2161560	0.29
224.1448364	0.18
225.2136536	0.73
227.2233582	0.90
227.9947510	0.39
229.0552673	0.24
230.1319580	0.08
233.1878052	0.50
241.3111877	0.59
243.1156616	2.55
245.5590210	0.16
248.9343872	0.12
251.1355896	1.05
253.1917419	0.27
256.7354126	0.38
259.1828613	0.09
267.1265869	0.22
268.3453979	1.26
269.1583557	7.13
271.9384766	0.24
284.1766357	0.06
288.1643677	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1141
Annotation	Lactulose
Peak:m/z	Relative Intensity
178.9701538	0.01
265.0564270	0.04
295.1150513	0.03
341.1544189	100.00
341.7597351	0.18
360.9052429	0.03
369.0897827	0.03
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
140.1462097	0.08
152.8724365	0.15
155.0331726	0.01
167.3986359	0.04
181.0317383	0.06
196.0887756	2.41
214.0257568	1.46
233.2979279	1.14
259.2890015	0.28
263.0025940	0.02
275.3598633	0.43
277.2694702	100.00
278.4074707	0.10
316.9668274	0.09
324.1427002	0.02
345.2528992	0.09
357.0805664	0.02
386.4277039	0.07
388.1222229	0.04
400.4192810	0.05
413.2364197	0.58
418.3265381	0.01
420.2039490	0.07
427.5796814	0.02
429.6539612	0.06
430.4898987	0.13
444.5735168	0.09
456.1343994	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	707.4323
Annotation	Kijimicin
Peak:m/z	Relative Intensity
235.2028351	1.29
236.0626831	0.18
241.1845093	0.16
243.2255249	1.44
256.1824951	0.21
270.8630371	0.12
275.3941345	0.19
283.4394226	0.10
291.2473755	0.12
303.1295471	0.23
304.0485229	0.39
309.2244873	0.37
311.4702759	0.31
312.4633484	0.19
313.3436584	0.16
323.3903809	0.05
340.2452698	0.22
342.2309875	0.39
345.1336670	0.29
348.2468872	0.44
358.2812500	0.10
363.2965088	0.31
365.4698486	0.06
371.0136719	0.11
376.5737305	0.65
377.7411499	0.58
379.4120483	0.32
383.2614746	0.22
389.3151855	0.46
390.4396973	0.32
391.4477539	0.20
404.3278198	0.15
406.0176392	0.26
417.4975586	0.26
422.3797607	0.28
425.7531738	1.50
430.4201660	0.39
437.5863647	0.47
453.3020020	45.94
454.2438354	3.01
457.2977905	0.15
465.2374878	0.19
467.6293335	0.17
477.2299805	0.15
485.1046753	0.10
489.9052124	0.14
495.3577271	100.00
496.4005737	4.30
504.2697144	0.21
507.3493042	0.36
509.4262085	2.14
513.1063843	0.15
527.1671143	0.77
531.8897095	0.18
539.5113525	0.57
544.3625488	0.41
545.3963013	0.47
549.1587524	0.42
556.7239380	0.17
559.2006836	0.14
562.2671509	0.38
566.3925171	0.78
569.4566040	0.51
576.3361206	0.15
579.8550415	0.16
605.3331909	0.26
617.5415649	0.21
619.6493530	0.72
621.5645142	0.13
623.6742554	0.30
625.7726440	0.29
628.3731079	0.14
632.1088257	0.11
635.4832153	0.29
636.3040161	0.50
643.3543091	0.29
645.4857178	1.26
647.6510010	0.76
650.8626099	0.20
651.7562866	0.05
653.4666138	1.52
657.2871704	0.23
660.7913818	0.13
661.9981689	0.28
663.1600952	0.12
664.9276733	0.50
671.8231812	0.92
674.0885620	0.75
679.5579224	1.06
688.6459961	2.23
689.6270142	1.63
690.6681519	0.09
691.6981812	0.10
706.6260376	0.75
708.0354004	0.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	227.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
95.6676178	0.06
104.9831696	0.05
112.7915344	0.15
116.0838470	0.04
122.7590485	0.04
124.7734375	0.07
127.1717529	0.04
135.0952606	0.04
145.1538239	0.04
154.1671600	0.11
155.5192413	0.06
158.3338165	0.07
166.1653595	0.14
168.3171234	0.04
169.0361176	0.09
172.2249908	0.07
181.1296997	0.07
181.9993134	0.09
185.1877289	0.15
186.8173065	100.00
187.4262085	0.42
190.0939789	0.11
191.0181427	0.05
192.2470856	0.12
192.9834747	0.14
199.8901520	0.13
202.8093567	0.04
204.5975494	0.91
206.2213745	0.03
207.1827393	0.21
209.0852814	0.52
209.9940338	0.49
211.0824432	0.20
212.2631073	0.10
216.2553101	0.09
228.0231171	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	744.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
220.9907837	0.13
239.0777588	0.17
247.4064484	0.72
251.1437225	0.12
253.4293671	0.26
257.1492004	0.11
265.3454590	0.06
269.1475830	3.88
278.1824036	0.09
283.2512817	0.39
302.2095337	0.20
311.8963623	0.21
316.7360840	0.21
322.1751709	0.06
339.2252197	10.44
347.2785645	0.10
363.5131836	0.12
365.4518433	0.19
367.2191162	0.12
373.0278931	0.08
377.5029297	0.27
387.4210205	0.08
405.3270874	0.45
413.4368896	0.37
414.2009888	0.20
416.8515625	0.10
419.6873779	0.11
421.4255981	0.21
431.4874268	0.34
435.3361206	0.09
441.4999390	0.13
449.2914429	0.18
453.5547485	0.09
469.7723389	0.08
471.8546753	0.16
473.4689331	0.13
489.4121094	0.10
490.5762939	0.16
497.6010742	0.11
504.5028687	0.23
509.9130859	0.16
515.5294800	2.36
517.3907471	0.21
528.4925537	0.06
531.5003052	0.12
533.4719849	100.00
534.2307739	0.05
538.6397095	0.33
551.5879517	0.20
553.4091187	0.18
559.2486572	0.06
568.3883667	0.29
571.7706909	0.15
572.8411255	0.15
573.8937378	0.09
575.0333862	0.24
576.5816040	0.33
579.9795532	0.09
593.6935425	0.29
599.0733643	0.16
621.5178833	0.08
627.3823853	0.13
634.1990356	0.32
639.4164429	0.30
645.1287231	0.10
657.3583984	0.29
659.6216431	1.28
663.8724976	0.11
665.2310791	0.27
676.2307129	0.14
677.5997925	1.43
679.5411987	0.06
680.6796265	0.17
681.6732788	0.07
683.5067749	0.23
684.9989624	0.08
694.2470093	0.35
695.7781372	0.34
699.4728394	0.18
700.3093262	0.21
701.5219116	0.20
703.2640381	0.23
707.7852173	0.40
708.6129150	0.24
712.0530396	0.14
713.2804565	0.17
725.6898804	0.30
726.6444702	1.20
727.4883423	2.20
744.1453247	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	469.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
150.9588318	0.03
168.9415588	17.44
170.0756989	0.45
170.9058228	0.13
210.9232178	0.22
215.0867920	0.13
232.9353943	0.10
277.0942078	0.09
295.2187805	0.03
300.8632202	0.12
308.2047729	0.69
309.2426758	0.24
313.1708069	0.14
317.1554260	7.79
318.0905151	0.05
329.4188232	0.07
362.2755127	0.12
384.2177429	6.09
385.2237854	0.70
386.8861389	0.03
393.2185059	100.00
394.2616272	6.61
429.2848206	0.33
430.2097168	0.13
431.2232971	0.30
447.4140930	0.35
449.2019348	0.29
460.8533630	0.22
465.3865051	0.49
555.3654785	0.25
599.3717041	0.73
600.2162476	0.64
601.2553711	0.64
602.4433594	0.56
617.1125488	10.78
618.2207642	3.77
619.2786865	1.01
663.0365601	0.08
724.9611816	0.25
726.5040894	0.12
769.1599731	47.53
770.1592407	18.88
771.2002563	5.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	286.0914
Annotation	Buchananine
Peak:m/z	Relative Intensity
105.9325714	0.10
109.0993042	0.10
121.8021088	0.10
123.9175568	100.00
126.9455261	0.36
129.1263123	0.10
137.1533508	0.14
143.9883728	0.27
144.9049377	0.10
153.0155029	0.07
153.7905884	0.10
162.7839050	0.13
168.1811218	0.10
175.1108704	0.30
176.3125000	0.10
178.0299072	0.09
179.1567383	0.05
183.1595764	0.19
185.1006165	0.14
187.0311890	0.14
191.0662994	0.33
197.2572021	0.09
198.0058594	0.03
203.4676819	0.23
209.0560913	0.16
210.7256165	0.04
212.6959229	0.06
215.2670593	0.03
223.0695190	0.14
223.9709778	0.38
225.1178284	0.77
225.9579163	0.20
226.8100281	0.12
229.2087402	0.05
230.1093445	0.04
231.1357422	0.18
231.8982239	0.20
237.8031006	0.15
239.0521851	0.32
240.4418945	0.21
243.2448120	1.13
245.0965881	0.16
250.0353088	2.09
251.2902222	0.26
255.5623474	0.07
266.2458496	0.10
267.2234497	0.44
268.1498108	3.26
269.1523438	0.13
277.1962280	0.08
285.0194397	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	716.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
216.1252594	0.14
219.7402039	0.07
223.8938904	0.58
225.1268311	0.07
238.2328949	0.26
239.9783173	0.46
244.3199310	0.07
249.8099670	0.14
251.7997742	0.27
252.9533539	0.02
258.3532104	0.17
264.8348389	0.09
266.0525513	0.13
274.0649414	1.14
275.0454712	0.29
276.2064819	0.12
282.1380920	4.52
283.1177979	0.73
288.1033325	0.25
295.0881958	0.74
296.1625977	0.54
297.0694885	0.53
299.8117981	0.08
302.0892639	0.08
303.9752808	0.36
308.0379944	0.78
310.1754150	1.05
311.0717468	0.78
314.1851807	0.17
315.0580444	0.12
316.2167358	0.35
318.1809692	0.27
324.0892334	0.85
331.0958862	0.17
340.2805176	0.13
341.3660889	0.06
348.1206665	0.88
349.0515747	0.28
358.0177612	0.09
365.7770386	0.04
374.0204468	0.32
376.1153564	15.99
377.2219238	3.31
382.2454224	0.05
384.0300903	52.64
385.1436768	11.89
386.2282715	0.33
390.0372314	0.67
391.0037231	0.49
392.0388184	64.70
393.1358032	13.22
394.1182861	0.29
400.3668823	0.11
402.0855713	0.48
402.9827881	0.20
404.5637817	0.07
426.9179688	0.16
430.9747925	0.36
431.9924927	0.08
434.1219482	0.54
434.8516846	0.06
444.1365967	1.77
445.1219482	0.52
455.3072510	0.03
457.1693726	1.00
458.0328369	0.06
459.0309448	0.13
464.1697388	0.55
465.2340088	0.09
470.0327759	0.96
471.1552734	0.05
472.0859985	0.48
472.8170166	0.07
485.2286987	0.22
486.2034302	0.09
487.1474609	0.54
487.9540405	0.17
497.0086060	0.11
498.3406372	0.43
499.0272827	0.27
511.1510620	0.18
544.8366089	0.07
546.1011963	81.13
547.1482544	14.70
548.0896606	0.33
554.0468750	100.00
555.1773071	36.98
556.1351929	0.86
564.3510132	0.22
565.1654663	0.26
596.1399536	0.40
626.1782837	0.57
673.2603760	0.15
698.2255249	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	495.0774
Annotation	Hibiscitrin
Peak:m/z	Relative Intensity
169.0587311	1.44
172.8877411	0.07
191.1294861	8.23
193.1673889	0.10
211.0876465	0.09
217.5486603	0.02
245.3292542	0.09
273.1258240	0.02
275.2693787	0.01
281.2897034	0.09
289.1767273	0.32
301.1523132	0.10
302.0771790	0.06
303.1565552	0.19
307.3529053	0.02
315.4517517	0.08
321.1487427	0.23
325.1083984	1.39
331.2449341	0.13
343.1161804	100.00
344.3778687	0.05
359.1358643	0.07
369.1160278	0.07
374.2085571	0.05
381.4048462	0.11
391.3107605	0.07
397.2009888	0.02
402.8970337	0.04
407.2983093	0.15
415.8510437	0.02
421.2109375	0.12
430.9894409	0.03
433.2191162	0.03
434.1962585	0.02
449.1614685	0.24
457.9507141	0.03
476.2325134	0.08
477.2406616	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
142.8982391	0.10
155.0921631	0.06
163.1587677	1.78
165.1573181	0.04
179.0613098	0.24
181.1561432	10.47
183.0924988	0.34
189.1531219	0.11
190.7696686	0.06
192.1933899	0.08
201.2573853	0.06
207.0198975	4.29
208.8941650	0.22
213.4091492	0.05
217.0960999	0.09
225.1829224	100.00
243.1375122	2.63
249.3480530	0.07
250.9377136	0.13
259.3082275	0.07
261.1785278	0.11
273.2214661	0.04
279.0948792	0.11
284.9974060	0.07
287.1856384	0.16
307.2245178	0.17
309.0115662	0.09
314.6986084	0.15
317.1248169	0.21
321.2590637	0.10
326.1586609	0.08
329.2395020	0.46
332.9382324	0.10
337.1320801	0.09
343.5054932	0.17
344.2324524	0.05
345.1750488	0.13
347.2998657	0.02
348.2256470	0.21
350.7439575	0.07
358.3388367	0.13
359.2688293	0.51
360.2787476	0.34
361.1510925	0.20
363.1506653	0.05
369.4763489	0.05
373.4317932	0.04
374.2029419	0.10
385.3370361	0.10
387.1801453	1.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	402.9167
Annotation	Unknow
Peak:m/z	Relative Intensity
115.0318604	0.02
130.8768005	0.03
159.0512085	0.06
174.9835205	0.44
244.8748474	0.19
272.9700012	3.43
287.1655884	0.02
288.9735107	100.00
289.7676086	0.02
314.2482910	0.01
327.9789429	0.02
329.0922852	0.04
346.7976074	0.05
356.0460815	0.07
357.0216370	0.10
358.4680481	0.10
373.0670471	0.03
385.0509338	0.01
391.3603821	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1395.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
457.9212341	0.02
769.0183105	0.06
770.2658691	0.01
787.3601074	0.02
920.8966064	0.06
939.2081299	5.50
940.3647461	0.01
1072.9423830	0.04
1090.9567870	54.06
1091.6862790	0.27
1167.0991210	0.02
1224.5351560	0.01
1242.8957520	100.00
1243.6922610	0.12
1318.9233400	0.06
1357.5141600	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	476.2758
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
139.0991058	0.07
164.8215637	0.03
198.0419922	0.05
211.2563782	0.07
243.2526245	0.05
261.3878479	0.04
283.3645630	0.01
285.0793152	0.02
304.3259583	0.45
305.5111389	0.03
316.9717712	0.04
317.6702271	0.08
327.1656189	0.04
335.2961426	100.00
335.9381104	0.15
345.0574341	0.28
378.7249146	0.10
380.5233154	0.04
400.2842102	0.05
404.4754639	0.04
413.1417542	0.02
415.3200684	0.38
433.3022766	0.04
440.0727844	0.02
440.8728943	0.03
444.3460693	0.01
457.1175537	0.08
458.2178345	5.87
459.2525330	0.48
469.0548401	0.05
476.9383850	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.17
Annotation	beta-D-Glucopyranosyl-11-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
112.8095703	0.25
118.9690933	0.38
125.1111526	0.10
127.2298126	0.07
130.9261169	0.36
142.9664612	0.20
158.9050903	0.10
160.9278564	0.28
163.0960388	5.68
166.9747009	0.27
168.9786682	0.71
174.7360840	0.04
178.7315521	0.27
183.1033020	0.22
189.1950378	0.41
207.1759949	2.10
209.1616058	0.69
211.3983002	0.44
225.2040100	1.18
235.0899353	0.06
249.0862427	0.17
253.0167847	0.05
257.0075684	0.10
258.9870300	0.04
262.7957153	0.52
266.0323181	0.14
267.0642090	0.26
277.0634766	0.12
279.2952881	0.10
284.9176636	0.11
287.2418823	0.09
289.2937927	0.90
291.1666565	0.12
297.1842651	2.63
299.2898254	0.05
301.1441956	0.08
310.9539490	1.25
314.1589661	0.09
315.1021118	0.13
317.2288513	0.15
321.1851807	0.32
325.2223511	0.11
327.1841431	1.22
329.1221313	0.40
330.0213623	0.18
339.2473145	0.18
341.1718445	100.00
341.9764099	0.84
342.9640198	0.85
343.6648560	0.10
345.1811218	0.79
354.4492493	0.15
355.9075623	0.25
357.3032837	0.31
358.6714478	0.15
365.1241760	6.32
365.9444275	0.12
367.1910400	0.08
369.2745972	4.92
370.3235779	0.15
372.1847839	0.47
378.1577454	0.32
388.2297058	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
134.9503021	0.36
139.9810486	0.45
141.1295166	0.50
146.9679565	1.69
148.9595642	0.62
149.6261597	0.39
155.0141144	1.79
165.1889648	1.15
175.9611969	1.64
182.8921814	0.45
207.6990662	1.83
217.1697388	2.05
230.7591553	0.62
237.1173096	1.58
243.3214111	0.65
244.1903076	0.80
245.2430115	2.10
245.9465942	1.63
248.2177124	1.89
258.067688	0.45
259.4545898	0.33
260.9882812	0.21
262.2886353	0.24
271.3561707	0.95
281.272644	1.90
283.1990051	1.92
285.230835	1.72
293.1954956	2.16
296.122406	0.39
298.2460022	1.22
300.9128418	1.68
302.1877747	2.41
304.3258362	0.55
308.469635	1.06
309.2640991	0.49
310.0751343	1.36
312.1316223	0.36
313.9412842	1.28
314.5980835	0.78
320.4447021	1.39
324.2681885	1.52
325.8969421	0.39
328.399353	2.44
332.3450317	2.83
334.1260681	2.70
339.3572083	5.34
340.265564	1.57
341.1065063	0.27
343.3265381	0.90
354.1923218	5.63
356.118103	0.64
356.87677	0.30
358.9584045	1.48
359.7338867	1.16
365.4031677	1.54
366.4102478	1.17
368.1139526	3.23
371.2418518	0.97
377.1964417	3.23
380.215332	1.71
380.9272766	1.59
383.5292969	0.96
384.4778137	0.53
385.3786926	0.99
388.8447571	2.35
390.2835999	2.27
395.570343	2.08
397.9981384	1.84
403.6820374	3.40
407.3609314	6.09
408.2871094	100.00
409.2733459	6.53
410.1837769	4.49
411.4077148	8.30
412.115509	1.21
423.1142273	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	452.2761
Annotation	PE(16:1(9Z)/0:0)
Peak:m/z	Relative Intensity
136.1538696	0.09
139.0523376	0.03
155.0402832	0.03
156.9162598	0.05
170.9152374	0.02
176.9742737	0.08
198.2627563	0.02
201.2265778	0.03
203.9727173	0.04
206.8141479	0.05
209.3512268	0.03
216.1338654	0.26
217.0503082	0.14
225.3513184	0.03
227.1648102	0.13
235.0756683	0.05
241.3327332	0.02
242.1193848	0.03
245.1432800	0.02
249.0816345	0.02
252.4604797	0.10
256.9706421	0.02
261.1315613	0.02
265.2732544	0.03
267.2113647	0.09
269.1597900	0.06
279.5239258	0.08
280.5735779	0.13
283.4589844	0.04
287.4721375	0.02
289.1776733	0.09
290.6769104	0.04
295.0451050	0.03
311.3379517	100.00
325.7096863	0.09
331.1021118	0.22
331.8753052	0.01
337.1970520	0.04
354.4091187	0.03
362.1036682	0.17
363.4062195	0.02
368.3621521	0.04
370.6241455	0.02
371.2602234	0.12
377.5910950	0.07
379.4249573	0.12
387.6269836	0.16
389.2520142	0.05
391.3273010	0.26
393.0754700	0.01
397.5345764	0.08
399.2061462	0.09
400.1775818	0.09
402.9067078	0.05
406.2608948	0.22
407.2626038	0.07
407.8779297	0.01
409.2475891	0.30
410.2971802	0.03
415.8943787	0.05
416.8834534	0.24
421.1244202	0.05
423.7666626	0.12
431.0350037	0.06
434.1809082	7.61
435.1856689	0.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	544.049
Annotation	Unknow
Peak:m/z	Relative Intensity
166.8806305	0.17
167.9843445	0.04
169.0430450	2.21
170.0346985	0.02
179.2228241	0.02
181.0445099	0.06
202.4013519	0.04
204.0882874	0.02
218.8951416	0.19
230.2117615	0.01
231.0799561	0.03
234.3148193	0.11
245.1367035	0.25
249.3571472	0.08
257.1903381	0.06
258.1014099	0.04
259.2817993	0.03
273.1144409	0.31
275.1488647	1.89
276.1724243	0.55
277.2811890	0.21
281.1773682	0.03
285.8753662	0.03
291.4178467	0.03
294.9881592	0.02
299.2262573	0.04
301.0818176	10.15
302.0667725	1.53
302.9976807	0.08
313.0883179	0.06
317.3357544	0.15
319.0709229	11.98
320.1257324	1.55
321.2037964	0.47
322.9792480	0.05
333.1503296	0.13
338.7548828	0.04
341.5223999	0.09
352.1179810	0.09
358.1875000	0.02
359.2531128	0.06
361.8518677	0.13
370.2629395	0.32
372.1314697	0.06
376.0208740	0.02
382.1770020	0.04
383.3657837	0.90
384.0792236	0.49
385.3843384	0.09
387.2454834	0.04
388.3353882	0.09
392.3848267	1.87
393.2595825	0.27
402.0926514	0.02
403.2839966	0.15
405.0626221	0.03
412.3508301	0.03
413.0213013	0.03
419.0240479	0.03
423.2222290	0.02
424.5864258	0.12
428.4316406	0.05
431.3212280	0.10
437.0556030	0.43
437.9624634	0.02
440.3246460	0.09
442.9382324	0.02
445.4260254	0.03
446.2551880	0.52
447.3939819	0.13
448.0933228	0.20
451.1447144	0.22
452.1547852	0.04
454.2424927	0.12
459.3155518	10.49
460.2589722	1.31
461.2546997	0.25
464.1054688	0.05
465.0788574	0.14
466.3999023	0.05
468.3270264	100.00
469.2865601	4.76
470.1314697	0.11
471.2295532	0.05
472.5733643	0.10
477.2131958	0.11
481.4015503	0.13
482.3186646	0.35
498.2726440	1.31
499.1168213	0.02
500.2521973	0.39
504.4346313	0.03
505.4324341	0.03
506.0800171	0.05
507.3872681	0.02
508.0775146	0.05
513.5720825	0.31
514.9677124	0.16
522.2488403	8.28
523.3765869	0.38
526.5003052	0.41
527.3224487	0.11
529.5855103	0.38
535.0746460	8.95
535.7396851	5.08
536.7251587	0.03
575.2470703	0.10
597.2678223	0.27
599.2341919	0.38
600.2723999	0.13
601.2335815	0.04
617.1860352	4.43
618.2403564	1.41
619.0999146	0.16
622.9871216	0.03
633.8039551	0.13
635.2978516	1.29
636.3565063	0.28
637.1002808	0.10
722.1552124	0.02
723.3506470	0.03
733.2381592	0.22
749.5718994	0.03
751.1347046	0.31
752.1352539	0.06
753.2073364	0.02
755.1970825	0.08
767.2382202	1.39
768.4135132	1.41
769.1558228	12.94
770.1658325	4.54
771.1972046	0.90
785.1818237	0.07
785.9774780	0.06
787.1893921	4.45
788.2611084	2.35
789.2125854	1.08
796.1404419	0.08
858.0869751	0.04
859.5163574	0.06
875.0510254	0.22
877.0061646	0.08
879.2245483	0.08
893.2414551	0.09
894.1313477	0.03
901.2210083	0.05
903.3560181	0.22
919.1245728	6.83
920.1766968	2.98
921.0756226	1.15
921.8235474	0.02
929.0300293	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	750.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
226.8716278	0.27
234.6592407	0.23
235.3570251	0.02
238.9376984	0.14
241.0627747	0.24
243.1007233	0.45
244.9515076	1.06
251.0852356	0.06
253.1245575	0.19
257.1370544	0.20
258.0702209	0.05
258.9593811	0.04
261.0604248	0.21
271.0641174	0.10
274.8823547	1.80
276.9637451	0.39
278.1206665	0.11
286.8307495	0.73
288.4616089	0.24
289.0710144	2.03
289.9628906	0.03
295.1513672	0.14
305.0206604	0.29
306.9031982	1.79
308.2839661	0.34
313.4065857	0.52
315.1930847	0.11
319.1320801	1.01
320.9959717	0.12
323.1192932	0.28
324.5126343	0.05
327.3131714	0.08
329.3193970	0.14
331.2016907	0.06
334.8842163	0.25
336.8319702	0.41
343.9830933	0.05
346.7663269	0.82
348.9923706	7.65
354.9026489	0.13
359.9995117	0.11
360.7532043	0.13
362.9268799	0.10
364.0834351	3.81
365.0688477	4.04
367.0745239	1.02
372.9623413	0.25
378.2539062	0.11
379.1990967	0.22
380.0634766	0.20
382.2404175	0.14
390.1669312	0.26
391.0274048	1.45
393.9851685	0.06
395.0016479	0.05
395.9151001	0.14
397.0420532	4.81
398.1094360	0.36
399.7320557	0.03
407.1953125	0.11
408.3935547	5.59
409.0132446	56.84
410.0668335	0.76
415.0909424	0.57
421.0023804	0.17
421.8206177	0.20
424.5337524	0.22
426.1748657	1.35
427.1119995	8.92
436.1173706	0.08
439.0758057	0.14
449.9342041	0.03
451.0502319	0.24
455.9477539	0.23
456.9409180	0.22
462.9144897	0.27
463.8612671	0.05
468.1636963	0.45
469.0610352	0.45
470.0588379	0.46
479.5391846	0.20
481.0590820	0.55
485.2505493	0.10
486.9558716	0.91
489.9708862	0.04
492.9666748	0.03
497.8303223	0.57
498.4578247	0.07
499.1749878	2.10
506.1587524	0.22
507.2268066	0.08
508.0307617	0.04
509.2343140	0.16
511.0949707	1.52
512.0932007	0.08
517.6821899	0.11
523.0511475	0.03
523.7214355	0.10
525.2102661	0.21
526.0264282	1.80
527.1312866	0.06
529.1090698	6.74
535.0607910	0.05
540.6766357	0.04
541.9554443	0.02
543.9415894	1.34
551.7869263	0.61
553.0952759	2.49
559.1070557	0.50
565.7420654	0.03
567.8507690	0.06
568.9015503	0.63
570.0796509	6.31
571.1372070	30.66
576.9243774	0.12
579.3972778	0.09
581.1461182	0.16
584.0495605	0.36
587.9184570	12.81
589.1159058	100.00
600.7907715	0.10
607.4176636	0.06
614.9240112	0.10
623.4618530	0.06
624.2749634	0.24
626.8317261	0.11
630.2704468	0.04
631.1002808	0.67
642.0180054	0.06
647.0712280	0.03
652.0323486	0.05
659.6796875	0.73
660.9382935	1.65
661.6066284	0.18
667.6235962	0.07
670.2120972	0.43
671.6500244	0.14
672.8278198	0.08
688.0375366	0.81
691.0516357	5.59
691.7645874	0.03
695.8436890	0.15
697.3031006	0.07
705.9336548	3.03
715.2430420	0.24
732.0291748	1.77
733.1906738	7.14
750.7982788	0.18
751.7424927	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	601.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
178.9896240	1.11
199.1470032	0.17
215.3159180	0.15
221.4894409	0.23
259.0409851	20.78
292.9622192	0.43
323.2129211	4.09
331.2798462	0.09
341.2550049	2.25
377.2598877	0.16
383.2216187	2.12
403.1709595	0.60
421.2169189	7.02
439.1575928	4.13
503.2963257	100.00
504.2974243	0.13
541.2731323	0.15
549.1555786	0.11
583.2252197	13.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	712.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
216.8446960	0.02
241.0348358	0.06
247.1248932	0.04
253.0981445	0.02
258.6768799	0.25
271.1278992	0.28
276.8295288	0.45
280.1457825	0.27
288.0590820	0.11
289.0059204	2.80
292.9681091	0.01
295.0796509	0.18
306.2543335	0.13
307.1854553	0.24
324.8659058	2.65
325.5135498	0.09
330.9691162	0.03
336.7952881	0.15
342.8342285	0.98
348.7966003	0.01
354.8280640	0.20
360.1561279	0.05
360.9283447	0.08
370.0464478	14.50
371.0491333	0.16
372.3200684	0.11
375.9303589	0.05
378.9817505	0.10
382.5992432	0.03
384.5494385	0.04
392.0410156	0.03
395.6630249	0.01
397.0165405	1.75
415.1245117	0.20
447.3585815	0.04
451.1784058	1.36
455.8116455	0.06
456.8330078	0.28
460.0134888	1.13
462.5627441	0.01
486.8257446	0.62
504.0992432	0.09
509.4768677	0.09
516.9897461	0.67
520.5877686	0.06
522.5146484	0.25
541.0957031	100.00
541.8121948	2.03
542.8082886	0.18
543.9583740	0.21
546.2796021	0.08
549.4450073	0.03
550.1460571	0.08
551.3969116	0.05
559.0698853	0.97
564.3982544	0.09
575.4273071	0.01
576.9808960	4.09
619.0171509	0.05
622.1116333	0.43
648.9536133	0.25
650.1765137	0.03
652.3875122	0.04
668.1307373	0.03
736.9142456	0.32
739.0706177	22.50
1080.1564940	0.09
1080.9709470	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0668
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
124.9491653	3.10
161.0150146	0.17
169.0078125	100.00
191.1528168	0.08
193.0812378	0.04
211.0756531	0.34
242.2172546	0.02
250.7748413	0.04
271.2062073	0.44
311.1148071	0.02
313.5218811	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	487.1452
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
154.7880554	0.07
168.9772034	0.17
177.2407532	0.15
183.2324829	0.09
211.1989441	0.09
220.1400146	0.22
223.3463745	0.09
247.2772064	0.25
267.0794373	0.16
275.1826477	0.08
287.4211121	0.18
289.4047852	0.08
301.1422119	0.20
305.1376038	0.15
307.1044922	3.75
309.2463684	0.41
313.2836914	0.17
323.3331604	0.05
331.3693848	0.07
341.4235840	0.16
342.1741943	0.26
343.6081238	0.19
345.1774292	0.59
350.0119019	0.06
353.3211670	0.22
355.4661560	0.13
365.0576172	0.14
366.2952881	0.32
367.3620605	0.15
379.6279907	0.07
389.0228882	0.67
390.4330139	0.36
391.2514648	0.09
392.4247131	0.09
399.6143799	0.29
403.2853088	0.46
405.1489258	0.06
406.2306213	0.10
407.2828369	0.21
412.8982239	0.10
417.4716492	0.06
418.5160522	0.32
425.2237854	0.14
427.2753906	1.06
430.1174622	0.14
439.2855530	0.13
440.4062805	0.62
441.1432800	0.78
443.2811890	100.00
444.3755798	0.07
448.4875793	0.17
450.4302063	0.67
451.0899658	0.20
451.7597351	0.29
457.2987976	0.10
458.2732239	0.08
464.6164856	0.77
465.5398560	1.41
468.3505249	0.90
469.2384338	2.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	500.9194
Annotation	Unknow
Peak:m/z	Relative Intensity
155.0439911	0.04
159.0036316	3.48
160.0631561	0.48
170.9458618	0.05
198.9569397	0.60
200.2064209	0.07
217.0369415	0.19
218.2341461	0.01
229.0988159	0.80
230.1449280	0.26
273.0188599	52.64
274.0308533	13.09
289.2695312	0.02
313.3240051	0.02
371.0081787	0.01
384.9181824	0.08
386.9881897	100.00
387.9429932	36.56
389.5670471	0.02
411.2000427	0.05
427.1101685	0.06
428.2086487	0.02
477.7827454	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	169.0142
Annotation	Gallate
Peak:m/z	Relative Intensity
110.9633179	0.05
125.0174255	100.00
127.0287628	0.02
151.0054779	0.09
153.1600342	0.02
169.0262604	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
275.2702637	0.18
277.3157959	0.05
284.2883911	0.04
293.3175354	0.17
296.2175903	0.05
309.4061890	0.76
310.3012695	0.04
311.4743042	0.03
319.8658447	0.04
327.3754883	1.29
328.4550781	0.71
345.5378418	0.06
354.5299072	0.12
367.9021606	0.04
370.2080688	0.06
371.1871338	0.05
380.1488647	0.02
393.4492798	0.06
397.2972412	1.11
398.4922485	0.59
399.4429932	0.57
406.6019897	0.02
415.3187256	9.04
416.5012207	2.60
417.2087402	0.10
430.0776367	0.06
435.3733521	0.04
440.1933594	0.05
444.6044922	0.06
455.4412842	1.63
456.4559937	0.53
457.2887573	0.48
458.1578369	0.04
468.8629150	0.22
471.3790283	4.12
472.4848022	0.95
473.3430176	0.02
479.1760864	0.04
483.6761475	0.08
485.2974243	0.18
489.3776245	100.00
490.3629761	24.04
491.2737427	0.96
498.6303101	0.20
505.9802856	0.05
507.9796753	0.03
515.4555054	1.28
516.3132935	0.35
517.2727661	0.02
518.6874390	0.05
528.1196899	0.21
531.3137817	7.26
532.2019043	1.18
532.9705200	0.33
533.6516724	0.10
534.2901001	0.03
541.3597412	0.21
548.7253418	0.15
549.9741821	0.09
554.9236450	0.19
555.9839478	0.02
559.3403931	4.43
560.3621826	1.21
561.3243408	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.0562
Annotation	Sinapoyltartronate
Peak:m/z	Relative Intensity
92.9840088	0.09
96.8440094	0.85
97.9021606	0.19
100.9671707	0.17
101.8422623	0.22
106.9246979	0.07
110.8568878	0.31
112.9190369	0.31
113.9589996	0.34
115.0778809	0.15
118.9765930	0.53
120.0977325	0.03
123.1391754	0.02
123.9653091	0.28
125.0021744	5.73
126.1044617	0.17
131.1521301	0.10
132.1960144	0.18
142.9774475	0.24
144.0255737	0.14
145.1529846	0.03
148.7478180	0.05
149.8927612	0.07
151.2140198	0.02
155.0444946	1.18
157.0312195	0.11
161.0450134	0.05
161.9843597	0.05
162.9263000	0.07
164.9637909	0.02
167.9225769	5.02
168.9434814	100.00
169.5435638	0.26
170.9053650	0.04
173.0401001	2.01
175.0708313	0.06
176.2084656	0.10
177.9342957	0.05
178.9634094	0.86
180.0300446	0.43
182.8951416	0.56
191.0727539	0.10
195.2204895	0.17
197.2299500	0.09
203.0949097	0.06
213.3650208	0.05
217.1039429	0.05
217.8819580	0.02
219.1580505	0.65
224.9914551	0.23
229.2890015	0.08
233.9718323	0.25
236.1814270	0.02
237.1686401	5.44
240.0663147	0.05
244.5142212	0.26
245.1200562	0.71
260.6093750	0.10
261.3630676	0.05
262.0390930	0.02
263.0463257	0.77
265.1186829	0.04
266.7205811	0.12
277.7403870	0.31
278.9806519	0.65
280.1083374	0.24
281.1002502	11.51
282.4424438	0.05
283.3053894	0.04
287.9536743	0.04
289.1306458	1.54
297.3331604	0.06
307.1471863	8.49
310.0700989	0.15
316.2274170	0.15
325.1212463	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	265.1429
Annotation	(+)-Abscisic Acid
Peak:m/z	Relative Intensity
95.32119751	0.87
98.83143616	1.04
110.6990509	0.44
113.134201	0.49
118.9152985	1.09
120.9169617	0.78
122.9481354	1.29
130.9502716	0.71
131.9804382	0.24
134.9276428	0.56
139.0822449	0.58
141.2499542	0.40
145.0151672	3.02
146.9817963	1.98
148.2474213	0.51
148.9373322	0.58
150.8592377	1.58
153.1507111	2.00
154.8708496	3.70
157.2421875	0.80
158.693924	1.31
162.9258881	7.38
164.4320831	0.85
165.2557983	0.99
166.8782806	1.08
170.5653839	0.18
171.2404022	1.29
172.8907623	1.79
174.8099823	3.76
177.148819	2.03
178.0630951	0.97
181.1669006	1.71
182.2422333	1.72
185.2203369	0.68
187.1969757	4.21
191.124588	1.53
201.2031708	2.42
202.9407501	0.62
205.0802155	5.41
206.0918884	0.24
207.1210327	3.03
209.1042328	7.57
216.4673309	1.27
217.1875305	0.51
219.0347748	14.61
220.5201416	2.08
221.2019806	3.39
222.1413879	0.33
223.2038269	1.15
224.0601959	0.37
229.1755829	10.33
230.0918579	0.65
233.2697296	2.92
234.27034	0.76
236.9182587	1.62
238.1239014	0.80
240.8721924	0.40
247.1355133	100.00
248.1074219	0.42
264.7455139	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.077
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
84.8556442	0.13
88.9563141	0.62
92.9718857	3.49
101.0401001	0.33
112.9094238	4.38
115.1770477	0.05
118.9527206	0.14
124.9784088	0.23
130.9561462	0.09
135.1892395	0.37
136.9454651	100.00
138.6063080	0.05
143.1626587	0.46
145.9248352	0.08
149.0817871	0.13
150.9817505	4.07
159.1254883	0.11
160.9864807	0.58
163.0521393	0.03
165.3180237	0.06
179.0073547	89.72
181.1190796	0.08
186.8292389	0.06
190.9349823	0.55
201.1555786	0.07
209.0191956	26.50
212.9733887	0.06
221.1165771	0.09
233.1406250	0.72
236.8824463	0.04
239.0598145	97.43
255.4781799	0.24
271.1620789	0.13
279.2382812	0.18
280.9121704	0.35
281.9406433	0.09
284.0791626	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	939.1118
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
277.1672058	0.17
294.1092529	0.33
301.2580872	0.17
318.9377441	0.21
320.4940796	0.18
431.277832	0.26
465.140625	0.43
467.4680176	0.26
471.1751099	0.13
479.3148804	0.69
554.5496216	0.30
573.2433472	0.27
600.7952271	0.19
617.288208	2.22
618.180481	1.85
635.1826782	3.75
636.5424194	0.11
702.7294922	0.26
711.5056152	0.10
729.6204224	0.22
769.0927734	28.21
770.2037964	7.72
771.2312012	2.08
779.0342407	0.28
784.6845703	0.10
787.107605	100.00
787.8429565	0.23
821.4689331	0.06
841.0366211	0.47
849.3929443	0.08
851.0009155	0.70
852.2772827	0.23
863.3640137	0.20
889.7132568	0.80
894.3748169	0.47
895.3395386	0.21
906.9544067	0.62
919.3538208	0.17
920.0845337	0.42
920.934021	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.2863
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
178.9587708	0.09
191.0472107	0.10
220.1592407	0.03
221.0634766	0.03
238.8713989	0.04
251.3580017	0.03
256.1765137	0.02
263.1165466	0.02
273.9804077	0.03
275.1497192	0.01
290.1314697	0.03
291.2824707	0.03
293.1157837	0.12
311.1580811	0.27
312.0312500	0.02
313.1444702	0.04
327.4448242	0.06
340.1215820	0.03
363.3221436	0.03
369.3515625	0.02
371.3035278	0.05
395.0797729	0.04
399.2705688	3.57
400.2671509	0.75
406.7066040	0.02
415.2886353	0.17
416.7042236	0.04
425.3388672	0.02
433.2919922	0.08
434.2422485	0.01
461.4895020	0.03
475.2529297	0.09
481.3847046	0.04
482.4436035	0.02
489.6428833	0.41
490.3868408	3.10
491.4506226	0.83
500.5401001	0.04
501.6900024	0.04
504.5311890	0.10
513.4997559	0.04
516.6211548	0.04
521.1718140	0.02
527.7891846	0.05
529.3012085	0.15
530.0062866	0.13
531.2947388	100.00
532.2813110	19.64
533.2683716	0.25
540.2679443	0.16
542.1323853	0.38
550.4047241	0.05
559.7024536	0.11
560.8930664	0.03
567.0050049	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	541.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
144.6913605	0.10
162.8456421	1.02
180.9797974	0.09
197.9930725	0.20
199.0363464	1.01
207.7439575	0.32
211.0928345	0.15
247.0866089	0.14
252.2977448	0.20
253.1721802	0.29
258.7957153	1.74
271.0731506	1.05
271.9452820	0.15
276.7783203	1.21
279.1173706	0.57
280.1277466	2.83
281.1846924	0.17
287.9382324	1.78
288.9992065	21.05
289.7280273	0.29
294.9804688	0.29
306.7215576	1.43
307.4304199	0.02
308.7025146	0.03
317.1314697	0.12
319.1991577	0.09
323.8165283	0.47
324.9541626	6.30
326.9572144	0.13
336.8328247	0.53
342.3057251	0.46
343.1588135	1.14
353.2152710	0.34
354.8970947	0.88
360.1740723	0.11
361.1997681	0.57
364.8280029	0.22
366.3533936	0.23
369.9939575	94.19
371.1611938	1.52
372.2321777	1.09
373.2185669	0.47
377.0895386	0.34
378.4938965	0.97
379.2296143	0.55
382.1741943	0.11
393.0361328	0.10
393.8195190	0.37
397.0666504	3.96
411.1844482	0.04
414.8703613	1.21
426.6160889	0.06
436.3303833	0.23
450.1503906	0.47
451.1153564	2.35
456.2944946	0.61
456.9268799	0.51
459.9729614	1.07
469.3252563	0.50
481.1306763	0.32
484.7982178	0.47
486.3096313	0.68
486.9425049	2.89
514.9905396	0.31
516.9025269	4.46
522.5417480	0.21
523.5330200	0.07
558.2678833	0.44
558.8792114	4.49
559.5193481	0.06
575.0452271	0.38
575.6820679	0.45
577.0587769	25.12
619.0187378	0.19
649.1279907	0.44
720.9459229	0.09
737.2384033	3.11
739.0051880	100.00
739.8572388	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.0716
Annotation	Gerfelin
Peak:m/z	Relative Intensity
86.9575500	0.02
92.7982025	0.07
95.0179901	0.09
96.0848084	0.08
96.9612732	0.34
108.0340576	0.15
109.0088120	0.97
120.8976746	0.26
122.9954681	0.48
125.0479279	3.54
130.7615814	0.01
131.9766541	0.19
134.5738678	0.08
135.1973267	0.25
136.8298035	2.73
139.0581360	0.22
142.9711304	0.03
144.8628540	0.06
145.9798279	0.08
149.0779114	0.31
151.0748901	1.41
159.0446777	0.53
161.1292725	2.37
162.0798340	0.13
162.9932404	0.14
164.0787048	0.88
165.0891571	2.55
167.0554504	1.80
171.3302612	0.04
172.8950806	0.15
174.1023865	0.09
174.9508514	0.78
178.9678955	12.32
179.9525604	0.05
181.1065369	0.03
183.1035156	0.22
185.0588837	0.06
186.1222992	0.15
187.1200562	1.69
188.1615906	1.01
189.1488495	0.12
193.2222595	0.04
199.1060486	0.25
201.1747437	0.46
203.0248108	7.32
203.6713562	0.02
205.0257874	34.57
212.1280212	0.05
217.2020569	0.86
221.1483765	0.02
225.0866699	0.10
227.1739807	1.39
229.2550049	0.18
231.0651855	4.77
243.0253296	0.62
245.1580811	100.00
246.4132996	0.06
247.1258545	6.41
248.2494202	0.04
253.4262390	0.02
260.2604980	0.20
269.1831665	0.03
271.2073364	5.72
273.1384583	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2875
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
122.9396362	0.73
128.9761047	3.09
150.150238	3.28
155.1493683	1.35
175.2544861	1.79
177.8619995	0.64
182.1373596	3.93
197.4420013	1.18
209.1421509	2.95
215.2475128	2.85
220.0563202	1.27
223.1186218	5.44
226.1884155	5.26
245.2154236	9.87
253.1454163	7.11
258.1824951	2.42
264.0432739	4.81
265.3434448	2.51
267.188324	4.75
279.6156616	0.99
281.4206543	5.43
282.1210632	3.93
285.3050537	4.47
290.6751709	2.68
300.5162659	2.42
301.7492371	1.26
311.3635864	5.17
313.381958	2.76
315.1286926	1.89
320.8182678	0.90
321.495697	3.55
325.1970215	13.62
328.6046753	0.99
332.5483093	2.87
338.2779846	3.75
339.3049927	3.12
341.1610718	15.43
343.5696716	2.84
346.5329285	1.27
353.3900452	2.50
355.4178772	1.49
357.2572327	8.72
359.2237549	5.96
361.0602722	7.47
364.2026062	0.99
368.5400696	2.86
370.0003967	1.20
370.6521912	1.08
371.9949341	2.57
377.183136	7.12
380.1304932	4.63
381.1882629	7.99
382.2863464	1.17
384.7554626	5.31
386.3216553	4.27
390.1911316	6.87
391.234375	4.64
395.2795715	7.04
396.0730896	5.27
397.6346436	0.72
398.714447	1.25
406.3566895	4.63
408.2730408	100.00
409.3674011	21.99
411.3295898	1.11
414.8346252	1.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	183.0298
Annotation	4-O-Methylgallic acid
Peak:m/z	Relative Intensity
111.0314941	0.34
123.9367981	76.33
124.6378021	0.31
139.1820068	1.95
150.9346771	1.08
164.9943390	0.15
168.0104828	100.00
168.8804321	0.50
183.0660553	8.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	542.73
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9267273	0.32
290.7842407	6.42
296.7687988	0.09
334.7636719	0.03
374.1254883	0.43
374.7938232	4.23
379.9043579	0.02
380.6814575	0.37
398.7056274	0.21
406.7669067	0.19
422.6776733	0.48
423.3494263	0.02
436.6270752	1.13
448.6566772	0.03
452.7411499	0.42
458.5906372	100.00
459.3746338	0.38
466.7111206	0.16
472.0667114	0.07
478.6539307	0.64
482.7141724	4.50
496.6700439	1.74
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.9263	0.99
108.2314377	0.04
109.0406494	1.32
117.1613617	0.11
121.0686951	1.25
123.0217972	0.50
124.943634	0.12
129.0039825	0.15
130.9791412	0.16
133.0320435	0.65
135.0552368	1.87
137.0257416	0.38
140.9699249	0.24
143.0701294	0.67
144.7176208	0.06
146.9751587	1.80
149.2093658	0.92
151.245636	0.32
155.0587769	0.03
157.0982971	0.21
158.894104	0.65
160.8961487	1.91
163.0500031	0.99
164.9706116	0.81
169.0811462	0.80
171.1095123	0.26
173.0473633	0.71
175.0549622	1.39
177.2110596	0.96
179.2088928	0.21
183.1282806	0.21
186.9754639	0.27
188.9029541	0.67
190.9782104	0.34
192.9205933	0.07
194.9924011	0.07
197.1010132	0.15
198.9667358	0.49
201.0544434	0.65
203.1302185	1.33
204.8671112	0.23
205.5296021	0.32
207.1367798	0.12
209.2798767	0.09
211.3199158	1.16
213.1407471	0.08
214.4975891	0.14
215.9219971	0.09
217.0240173	1.52
221.1755066	0.22
223.2402039	0.30
225.1741638	0.19
227.5341797	0.16
229.1913757	0.54
231.125061	1.68
235.2176514	0.05
243.2290649	0.52
244.6272888	0.10
245.2839966	1.31
247.2516174	4.46
249.1270447	0.13
253.2155762	0.14
256.8890381	0.13
259.1978455	0.19
263.230896	0.17
267.1497192	0.41
269.3499756	0.38
271.3482361	0.53
277.3527832	0.88
278.3930054	0.06
281.3175659	0.30
282.0602112	0.05
283.0045166	0.03
285.1203918	0.04
287.2574768	0.07
291.1584778	0.07
294.54599	0.31
295.2384033	0.56
297.2399902	0.39
298.6714478	0.59
299.3554688	1.42
299.9655762	0.29
305.223877	3.44
307.3867188	0.08
311.4707642	0.07
313.2944336	1.65
318.2204285	0.10
321.2921143	0.30
323.2301331	100.00
323.8669434	0.68
327.1668091	0.16
339.0346375	0.11
341.3525696	1.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	388.159
Annotation	Flurazepam
Peak:m/z	Relative Intensity
109.2204742	0.04
126.1314392	0.21
126.9776993	4.30
127.7391434	0.05
128.7949677	0.03
132.8485565	0.46
139.3859253	0.08
144.8167419	0.86
146.9336548	0.23
161.6957703	0.12
166.8968506	0.21
170.8855286	0.09
173.0138855	0.11
183.0054626	0.04
185.2823792	0.43
187.1935120	0.16
188.9614868	4.11
201.0093079	2.86
203.2353363	0.05
204.8678284	0.33
209.0984650	0.11
211.3537598	0.13
213.0943604	14.98
218.8987579	0.13
226.5512695	0.04
229.3701477	0.83
230.4571228	6.00
231.0965576	39.72
246.4986877	0.15
248.1388855	7.59
249.0391846	18.62
256.2174072	0.03
266.0470581	3.79
267.1732178	0.23
274.9789429	1.42
281.4913330	0.41
282.1856995	0.19
289.3952637	0.14
291.0939331	0.60
301.9493103	0.08
302.5583801	0.08
307.2566833	0.07
309.0212402	0.12
317.1971741	7.55
324.8950500	0.05
326.9228516	0.04
335.0221558	100.00
335.6828918	0.26
339.2506409	0.19
341.4532776	0.16
350.0070190	0.07
351.9694519	1.87
352.8821411	24.47
353.6693420	0.02
356.0765076	0.04
369.5422668	0.22
371.0409241	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	547.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
149.0689392	0.28
160.9362030	1.00
173.1224670	0.38
185.0638733	0.06
191.0115509	15.75
192.1294250	0.13
203.0600128	0.77
205.3613892	0.24
206.9859161	0.19
208.7944489	0.11
214.2183228	0.20
215.3329773	0.34
216.9929810	0.37
218.5638733	0.09
219.9765167	2.98
220.8967743	22.14
222.1979218	0.21
225.4648285	0.10
227.1463928	0.04
230.3344116	0.07
233.2139893	0.11
238.7584229	2.44
239.4255219	0.04
245.0336609	0.99
250.3245087	1.46
250.9594116	7.56
251.8680725	0.34
263.0653381	4.99
264.1513062	0.20
274.9451904	2.85
281.0215454	5.57
293.1272583	17.10
294.1782837	0.78
303.0067444	0.18
310.9714355	100.00
312.0271606	2.14
325.1227417	0.18
338.1262207	0.21
367.1420898	0.18
369.3442383	0.30
371.1866455	0.15
385.5309448	0.06
415.4104614	0.55
447.0321045	0.08
449.8092041	0.48
457.1967773	0.19
460.9173584	0.10
463.1336060	0.43
469.3635254	0.49
471.2014771	2.30
471.9060669	1.49
481.2416382	0.95
488.0853271	0.35
490.2523804	0.08
495.9739380	0.34
499.8367310	0.06
500.9010010	1.18
503.0441284	0.23
508.1726685	0.17
509.5209351	0.34
517.1813354	0.18
524.1209106	0.97
525.4288940	4.95
526.2852783	0.77
529.1720581	1.06
530.2089233	0.19
538.2250366	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	464.8
Annotation	Unknow
Peak:m/z	Relative Intensity
212.7787170	2.36
284.0636902	0.07
296.8255615	26.63
302.9139099	1.55
344.9550781	0.98
356.9957886	0.84
358.9307251	0.24
374.8749084	0.04
378.1517639	0.58
380.6208801	100.00
381.3393250	0.33
388.5407410	0.26
401.0277710	0.25
404.5943909	0.64
418.3480835	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	662.1016
Annotation	NAD
Peak:m/z	Relative Intensity
272.7589722	0.34
311.2850952	0.35
319.1694946	0.07
320.1788330	0.35
341.3225708	0.16
346.1359253	0.16
380.1580811	0.55
408.1118164	0.55
426.2709961	0.34
469.1780396	0.28
481.2939453	0.19
527.4442749	0.57
540.2037964	100.00
558.1162109	0.10
565.2962646	0.22
583.9499512	0.05
586.4046021	0.18
601.9945679	0.54
643.0958252	0.54
645.3228149	0.13
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
93.12626648	0.11
95.14169312	0.26
97.05818176	0.33
99.33994293	0.09
101.026062	0.34
101.9294281	0.16
108.8179932	0.37
110.7670135	0.37
121.269165	0.97
123.1288147	0.52
124.8090363	0.13
126.8973694	0.25
129.1154175	0.53
133.1321716	0.44
134.9125671	0.26
136.850296	0.36
139.0384064	0.23
140.9613647	0.21
142.8215942	0.60
146.8766174	0.54
151.0866089	0.58
152.8252258	0.16
153.9454651	0.18
155.0885925	1.96
156.7223511	0.59
163.2166595	0.51
165.1811371	0.17
166.8669281	0.23
167.9815063	0.09
169.0063934	0.06
170.0213165	0.10
170.9638824	0.08
175.2780304	0.52
176.2297668	0.48
179.0649414	0.47
180.9693298	1.23
183.264801	2.51
185.0397644	0.86
187.2737885	0.96
189.4447327	0.39
191.2116394	0.97
195.1936646	0.38
197.1820831	3.22
198.1823425	0.39
199.1862793	0.50
201.0297241	0.78
202.8790741	0.50
205.0453186	0.58
209.229248	2.00
211.0282898	2.08
213.0570068	0.84
214.9153137	0.59
219.7229919	0.29
221.2419128	0.13
222.9827881	0.16
225.1417847	1.29
227.0811462	2.95
229.1113892	0.40
231.1413879	0.08
233.061676	1.17
235.3092346	1.04
237.1651611	1.19
239.18927	0.19
241.2349548	0.77
244.8982544	0.25
247.2507935	2.15
249.0966187	0.14
250.107605	0.41
251.0046387	1.95
253.2095947	4.62
254.6522217	0.38
255.3801575	0.34
257.5981445	0.48
260.3952637	0.32
262.9059448	0.44
265.3468933	2.69
267.3650208	0.29
269.229248	0.97
270.0047302	1.79
275.28479	13.85
278.89151	0.12
283.0297852	3.82
283.9376221	0.11
289.7560425	1.42
290.9733276	0.63
293.2015991	100.00
294.1876526	0.95
301.4071655	1.13
302.3610229	1.21
310.4146423	1.62
312.2864075	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	716.78
Annotation	Unknow
Peak:m/z	Relative Intensity
296.0632629	0.48
296.9034729	5.49
344.1325073	0.16
380.6743164	24.48
406.2382202	0.15
428.9518433	0.18
459.1456299	0.04
461.6875610	0.20
462.7541504	0.15
463.9771729	4.36
464.5946045	35.66
465.2733154	0.47
470.8414307	0.33
489.0432129	0.27
496.7062988	0.29
508.7755737	1.90
512.9309082	0.19
537.3883057	0.20
542.3408813	0.11
545.8720703	0.45
548.5545654	100.00
550.6226196	17.13
551.3394775	0.03
554.5957031	0.80
556.1848145	0.25
568.7514038	0.31
572.8235474	1.59
580.6848145	4.84
586.6369019	0.49
596.6767578	1.55
604.6200562	0.15
608.1519775	0.19
609.3261108	0.37
610.3624878	3.16
622.6550293	0.25
624.6945801	0.06
626.0109253	0.10
626.6504517	0.06
630.0466309	0.72
631.8754883	18.94
632.5039062	92.92
633.2014160	0.50
639.6296997	0.76
640.6470337	0.85
652.5209351	2.25
655.8992920	0.53
656.6344604	2.87
668.8747559	0.19
669.8182373	1.82
670.6483765	3.69
698.0765991	0.04
698.7536011	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
92.99586487	0.12
111.1315613	0.05
123.8699646	0.08
125.1015167	0.07
143.1256256	0.05
146.7943573	0.03
157.346283	0.04
161.0335236	0.03
165.0909576	0.06
166.98909	0.02
173.2490997	0.09
177.4392853	0.03
181.0753021	0.15
183.2754974	0.06
187.1710358	0.11
188.1287384	0.03
191.2171173	0.13
196.943161	0.13
199.0963593	0.07
203.4264069	0.09
207.1311951	0.02
213.1275787	0.06
215.1520386	0.05
216.8617706	0.65
218.0396118	0.13
219.1538544	0.05
223.0954895	0.04
225.2141571	0.10
230.9091339	0.06
233.042099	0.06
241.4682617	0.04
243.1480865	100.00
245.0988617	2.60
262.4567261	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2416
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
88.94008636	0.25
92.00059509	0.31
96.80519104	1.05
98.92337036	0.25
102.9655609	0.26
105.0546722	0.66
109.0240479	0.71
112.9569092	0.53
121.0193405	0.24
122.0699158	0.29
122.9365463	0.91
126.9306793	1.38
129.0528259	0.36
133.0874023	0.25
135.0520935	0.83
137.100769	0.79
138.9920044	2.50
141.0683594	0.17
149.133667	0.35
151.223938	0.24
153.2228394	0.81
155.0388947	1.42
161.1386414	0.31
163.0603027	0.62
167.1796722	0.41
169.0506287	0.42
171.184082	0.92
175.2598419	0.85
177.3252563	0.48
181.0637512	0.62
182.9965973	1.51
185.3807526	0.57
189.1141663	0.46
190.3781891	0.19
193.3095703	1.22
195.0305481	0.24
196.4761353	0.20
197.129364	3.63
199.1133423	0.64
201.1792297	0.14
203.240509	0.94
205.0162964	0.28
207.2149048	0.82
209.1923218	1.34
211.1329651	0.92
212.317688	0.63
213.3049011	0.76
215.3351135	0.86
217.187439	0.23
219.2724304	1.22
221.2179565	1.55
223.1566467	1.00
225.084198	1.47
233.3153076	0.97
235.2218933	0.16
237.2200317	3.23
239.2035828	4.43
241.3189697	0.47
243.3031921	2.08
251.1543884	1.99
253.2322083	1.33
253.8695984	0.28
255.2201233	2.42
255.8454285	0.12
256.5016174	0.36
257.1847534	0.66
259.2210388	0.23
261.2028503	7.05
267.2649841	0.39
271.3418579	0.32
277.0736694	0.75
279.2238464	100.00
280.0794067	0.16
280.9265137	0.68
288.1279602	1.02
288.7822876	0.41
299.3209839	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	702.4769
Annotation	Kijimicin
Peak:m/z	Relative Intensity
197.1281433	0.05
199.0658569	0.13
207.3421173	0.03
211.0160065	0.10
222.4654694	0.16
234.8572693	0.03
238.0689392	0.12
239.6821289	0.13
249.1386414	0.04
251.3049622	0.38
262.7826538	0.10
265.1226501	0.03
267.0663147	0.23
269.1554260	0.68
270.4023132	0.13
271.3039551	0.10
290.6832886	0.04
298.5586853	0.20
301.4225464	0.05
311.1730347	0.63
315.0722046	0.21
320.9813232	0.27
325.4965210	0.08
332.7100220	0.09
335.3162537	0.35
339.2871704	0.24
343.2477722	0.16
347.3430176	0.21
353.2530518	0.09
357.4173584	0.09
371.6160889	0.13
377.4286499	0.26
389.6516724	0.12
391.1739502	0.14
394.1766357	0.08
395.0845947	0.30
397.0539551	0.03
399.8914795	0.17
402.4743652	0.15
403.1614990	0.16
407.4165039	0.10
413.2821045	1.90
413.9329834	0.01
415.2346191	0.13
415.8872681	0.16
419.3643188	0.11
425.4730835	0.20
429.1606445	0.29
431.3048096	0.45
433.2269287	2.12
434.3994751	0.15
437.0833740	0.05
439.2651978	0.28
445.0738525	0.05
447.0836182	0.52
448.0762329	0.29
448.8970947	0.38
451.0014648	0.11
455.2530518	0.24
459.2640381	0.07
466.4471436	0.04
471.4646606	0.03
472.6925659	0.03
473.4995117	0.06
479.3265991	0.09
483.3135376	0.12
485.0822144	0.07
487.4922485	4.45
489.5064087	0.12
491.3333740	0.17
492.9782715	0.03
499.0864868	0.11
501.9547729	0.15
503.3447876	0.22
504.2585449	0.11
505.5354004	100.00
511.2872314	0.09
523.0010986	1.42
526.4137573	0.05
533.4157104	0.16
543.2981567	0.13
547.4328003	0.12
555.7598267	0.12
557.2875366	0.13
563.3863525	0.04
567.2634277	0.09
578.3861694	0.06
588.3111572	0.19
595.5488281	0.15
597.6697998	0.04
598.6968994	0.13
599.7760620	0.04
603.5383911	0.19
604.3513794	0.08
606.6050415	0.07
608.8862915	0.09
613.4356079	1.31
614.0466919	0.15
617.1206665	0.05
631.5252075	5.24
635.7911987	0.29
639.7081909	0.14
641.6463013	0.19
642.9421997	0.12
649.4061279	38.83
650.0898438	0.08
653.3959961	0.41
657.5646362	0.36
658.1967163	0.17
661.4133911	0.06
665.5111694	0.28
666.3507690	0.65
667.1743774	11.41
667.9837646	0.15
671.6032104	0.59
672.4002075	0.03
683.2260132	1.03
684.4192505	3.01
685.3577271	1.38
686.3584595	0.31
689.8969116	0.07
701.6691284	0.09
702.7688599	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	652.22
Annotation	Unknow
Peak:m/z	Relative Intensity
190.2191467	2.37
204.5961304	0.93
210.9946899	0.94
223.2101898	1.53
241.1159058	2.75
253.0164185	4.83
258.9212952	3.62
269.7182007	1.84
270.7583313	11.04
271.3811340	0.74
276.8045044	3.98
288.1293945	4.44
288.8623047	36.80
289.5045166	0.23
303.9244385	0.85
306.8253784	20.56
308.9360352	1.42
310.0902710	9.52
324.8450317	100.00
325.5164185	1.02
327.5075073	1.11
336.8497314	6.16
342.3581543	15.55
342.9792480	35.92
357.2213135	0.78
370.1535034	2.39
397.0827026	3.78
414.9819946	0.61
420.5576782	1.36
457.1994019	1.07
470.8707275	1.41
472.0025024	0.86
485.1693726	0.78
486.5391235	13.61
487.1806641	7.51
488.8130493	8.87
489.9742432	41.90
504.6114502	17.60
505.8038940	1.44
518.8258667	2.37
519.9520874	2.98
543.0027466	3.60
544.1438599	2.04
553.1580811	0.47
561.0985718	1.87
562.5639038	1.42
593.2344971	2.88
633.1238403	1.28
635.0855103	1.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1087
Annotation	Lactulose
Peak:m/z	Relative Intensity
97.0154419	0.14
99.0379868	0.08
100.9535828	5.32
102.8581543	0.69
113.0067673	12.60
114.9035492	0.20
116.8775864	0.11
118.8797455	15.99
125.1191483	1.53
130.9851685	5.25
142.9090424	18.23
148.9320374	4.86
160.9877930	18.21
162.8601685	0.15
178.9981995	100.00
221.0889587	1.87
280.9504395	0.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	437.9715
Annotation	Unknow
Peak:m/z	Relative Intensity
179.2113190	0.03
201.8457642	0.02
225.2106018	0.03
227.7685242	0.05
233.3609619	0.04
253.8187561	0.01
260.2365417	0.13
269.2071838	0.02
291.1796875	0.02
292.0506897	0.03
302.0361633	0.02
303.8144531	0.14
306.1280212	0.01
308.0592346	0.08
309.2184448	0.02
330.0294495	0.23
332.2116699	0.16
344.2132568	0.02
348.0496216	0.71
352.9684753	0.04
358.2162476	0.08
362.0438843	0.06
362.9681396	0.03
374.4167175	0.07
375.9390564	0.15
391.9239807	0.05
393.9944763	100.00
419.2184143	0.59
419.9686890	1.02
420.6007996	0.05
426.0592957	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	635.088
Annotation	Gallotannin
Peak:m/z	Relative Intensity
181.2114105	0.01
193.1218262	0.04
194.3749084	0.01
195.1855774	0.03
207.2020264	0.02
211.2038422	0.05
211.9633789	0.01
221.1385193	0.00
235.2125702	0.03
236.1312103	0.03
241.2246399	0.01
243.4522400	0.00
259.2780151	0.01
261.2631531	0.00
271.1639404	0.04
272.3017578	0.02
273.1981201	0.02
277.2794800	0.04
283.2308960	0.00
295.1525879	0.08
296.2212830	0.01
297.3532715	0.01
302.1812744	0.02
313.1420898	0.30
314.2146606	0.03
321.1646118	0.08
331.2378540	0.10
332.1412964	0.03
343.3236694	0.03
346.1769409	0.00
357.3062744	0.01
371.3396606	0.01
373.4063110	0.01
393.4339600	0.01
405.0208130	0.03
407.4233398	0.00
411.2225342	0.00
418.4456177	0.00
421.4702759	0.00
422.2197266	0.01
423.2034302	0.27
424.3226929	0.06
431.2515869	0.01
439.4356079	0.03
440.5748901	0.01
447.2241211	0.06
449.1420288	0.01
452.2492065	0.00
453.1498413	0.00
457.2897949	0.01
465.2255859	5.35
466.3075562	0.85
471.3302612	0.00
473.3660889	0.02
481.1177979	0.00
483.2391968	100.00
484.1882935	12.47
491.1231689	0.01
495.4757080	0.03
497.1505737	0.00
519.2205200	0.01
520.1914062	0.01
531.4655151	0.01
543.6330566	0.01
571.4451904	0.01
575.1132202	0.03
587.2894897	0.14
589.1222534	0.01
590.5972900	0.01
591.4956665	0.02
592.1758423	0.01
600.2041016	0.00
602.1463013	0.01
603.7067261	0.01
617.0706177	0.15
618.2760010	0.07
626.1363525	0.02
627.1159668	0.01
637.5122681	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	740.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
241.1759338	0.07
259.3105469	0.54
264.8314819	0.19
277.1951294	2.99
295.2655029	0.39
309.5925903	0.45
313.1290283	0.07
334.2980347	0.40
381.3300171	1.75
387.0726929	0.05
393.3126831	0.07
397.1715698	0.13
398.3496704	2.14
399.2465210	2.28
409.2185669	0.31
416.3076782	39.66
418.0897827	0.16
422.2745972	0.09
440.5571289	0.15
441.1998901	0.32
446.2740479	0.36
448.6856689	0.15
458.2452393	0.68
482.6832275	0.12
488.1402588	0.06
494.4922485	0.82
505.9905396	0.16
524.3907471	0.09
525.2809448	0.23
528.6610107	0.55
530.5032959	0.44
535.0007935	0.22
542.1002197	2.62
551.1695557	0.51
560.3732300	3.15
561.5089722	0.29
573.3217163	0.09
578.3646240	100.00
587.8963013	0.19
590.5131226	0.24
617.4152222	0.49
620.4806519	0.13
630.7523804	0.59
634.7449341	0.33
638.6051025	0.13
656.6992798	0.20
657.9417725	0.17
658.9910889	0.17
683.2080688	0.12
686.5410767	0.23
704.4990845	0.38
705.4620972	0.13
722.3316040	6.40
723.5332031	2.85
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	725.3954
Annotation	Gingerglycolipid C
Peak:m/z	Relative Intensity
203.0685730	0.11
227.4219818	0.12
235.3259888	0.05
253.1859741	0.26
256.2096558	0.11
303.2436523	0.05
305.1187134	0.10
315.1847534	0.10
347.1033325	0.06
351.5704956	0.07
353.2508850	0.26
362.2343140	0.13
382.0310669	0.07
393.3336792	0.13
397.2940063	6.08
415.1215820	0.93
444.2716675	0.12
478.3231201	0.58
479.7919922	0.04
488.1939087	0.11
492.4985352	0.10
539.9191895	0.12
553.5361938	0.11
562.2435303	0.06
565.6693726	1.11
572.9590454	0.07
578.3682251	0.09
579.1727905	0.21
608.1477051	0.25
629.5339966	0.07
639.8158569	0.15
641.1371460	0.09
647.9411011	0.24
649.1019287	1.20
664.6665039	0.11
665.3372192	0.09
671.3704224	0.04
679.3416138	100.00
688.8676147	0.06
693.9876709	0.05
702.6408081	0.04
707.3229370	0.31
724.5448608	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1141
Annotation	Lactulose
Peak:m/z	Relative Intensity
341.1806641	100.00
383.8770447	0.02
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
219.6154175	6.30
225.2011108	29.24
229.0559082	2.04
239.2696686	3.38
243.5483551	2.26
255.3855591	2.71
305.2527466	4.75
309.0540771	2.93
315.2384644	25.01
333.5194092	8.11
339.3091431	15.43
348.0604248	22.53
353.2700806	2.11
355.4370117	7.46
386.0002441	3.39
391.1985474	1.38
393.4629517	5.17
396.8717651	8.96
398.2000732	11.43
405.7590942	19.55
413.0339966	7.20
415.9082642	12.61
421.3973999	7.01
429.3723145	23.45
431.3914795	3.74
440.0255737	5.39
441.2202148	15.64
451.5631714	9.42
457.3994751	23.67
460.2324219	9.56
461.3236694	3.38
463.0614014	11.16
471.0388794	15.67
477.6895142	4.30
481.8120117	10.47
483.9570923	22.61
487.6991577	13.69
501.1878662	100.00
502.5177002	7.65
509.6425781	34.08
511.4818726	6.93
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	787.0978
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
220.9945984	0.06
223.1557922	0.02
233.2123260	0.10
234.1575470	0.06
235.2201996	0.20
241.0786591	0.09
246.2165375	0.04
251.0713196	0.20
252.9050751	0.03
257.3590088	0.05
259.0632324	0.03
267.2653809	0.01
275.0857544	0.04
276.9815063	0.13
278.0642395	0.04
279.2933350	0.02
281.5501404	0.01
286.0487671	0.02
287.1346741	0.01
288.1388245	0.09
289.0758362	0.07
295.1825867	0.57
296.2450256	0.06
301.1126099	0.04
313.2033081	0.38
314.2176819	0.01
317.5030518	0.02
321.0274048	0.08
323.3187866	0.05
331.2402039	0.27
341.2041931	0.14
343.2590332	0.03
367.2155151	0.03
377.3351440	0.06
379.2871704	0.06
385.1550293	0.20
391.4063721	0.02
400.9884033	0.02
403.2877808	2.79
404.2102661	0.61
405.1297607	0.13
419.1530762	0.16
421.1764526	0.77
422.2109985	0.09
423.5762329	0.37
424.4539185	0.01
429.4654541	0.11
430.2041016	0.04
431.3757324	0.01
447.2548828	2.96
448.3166504	0.39
449.2093506	0.34
450.2366333	0.09
465.2065430	6.70
466.2438354	2.24
483.1586914	0.88
484.1803589	0.19
485.4392700	0.03
501.3670044	0.13
511.3360596	0.03
529.2994385	0.17
530.4531250	0.07
555.2017822	0.26
556.3162231	0.02
573.2122192	4.13
574.2655640	1.87
590.4250488	0.02
599.0845947	0.03
617.2003784	100.00
618.1495972	26.12
619.1518555	0.11
620.2984619	0.09
635.1062622	47.55
636.2109985	11.23
637.3569336	0.04
688.6558838	0.02
693.3004150	0.01
711.2740479	0.29
743.5450439	0.04
766.0773926	0.08
769.4066772	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.2592
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
94.81478119	0.42
109.1473083	0.40
116.8470459	0.29
121.9923401	0.16
122.8928986	0.27
136.963501	0.17
151.327179	0.33
154.987915	0.23
165.048584	0.29
166.9683533	0.32
171.1865234	0.44
185.0358734	0.29
192.4665833	0.33
193.2416687	0.39
194.966217	1.26
199.0057068	1.31
199.9909363	0.15
201.0112	0.45
205.274231	0.63
211.3318787	0.15
213.2208862	0.56
215.1307068	0.13
219.2990417	0.72
221.0354919	0.15
223.3582458	0.45
225.2387085	0.71
226.2891846	0.20
227.2959595	0.95
229.4288025	0.13
231.0367126	0.85
235.0250854	0.48
237.2805176	1.86
238.1491394	0.43
239.1345215	0.42
243.2232056	0.91
251.5779724	0.85
253.2617798	100.00
254.3832092	2.12
255.3372803	11.84
255.9858398	0.43
257.2702942	0.90
261.1595154	0.40
263.3848572	2.33
266.8595276	0.63
269.2268372	1.83
269.9668579	0.20
271.2896729	0.21
279.2479248	0.80
281.200531	26.08
281.9119263	0.33
283.1856384	7.00
284.1395569	0.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1091.62
Annotation	Unknow
Peak:m/z	Relative Intensity
769.2265625	0.60
770.1856689	0.07
771.0710449	0.03
787.3090820	0.35
921.2094727	0.13
939.0805664	100.00
939.7366943	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	Lactulose
Peak:m/z	Relative Intensity
174.9568176	0.03
179.0908813	0.06
323.2453613	0.01
341.1778564	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
102.6468658	0.06
104.9459839	0.19
107.0617218	0.53
109.1246872	0.58
111.0890427	0.37
116.7862701	0.05
118.9018707	0.10
121.0492554	1.31
123.09935	0.35
125.1123047	0.16
129.0895081	0.42
131.0609436	0.59
132.8477783	0.23
135.1098785	1.67
137.0500183	0.61
141.0344086	0.04
143.0070343	1.73
146.9686737	0.34
149.0355225	1.10
151.0651855	0.50
153.2477722	0.06
156.8644714	0.31
159.1207428	0.91
161.0971985	0.44
163.3625488	0.59
169.0850677	0.79
171.1011658	0.46
173.0280151	1.21
175.1682587	0.36
177.1334839	0.36
179.1540833	0.16
181.1813049	0.11
183.1691589	0.66
184.3444214	1.06
184.9549255	0.30
187.1138	1.54
191.3600159	0.05
193.1137085	0.08
194.8612671	0.15
197.2561035	1.12
199.2284088	0.13
200.9057617	0.95
205.2824554	0.52
206.9016876	0.30
211.0155334	3.05
213.0007935	0.25
215.0139771	0.32
217.0625	0.41
223.2466125	1.06
223.8734131	0.15
225.1115417	0.44
227.1701355	0.12
229.2665405	0.05
231.1450195	0.47
233.0811157	0.14
239.3098145	0.17
243.1465149	0.24
245.2686462	1.10
247.2214966	3.03
251.1984253	0.30
255.3867798	0.21
257.0618591	0.40
259.3578491	0.73
263.0024414	0.10
263.6698608	0.26
267.4213257	1.72
271.0734253	0.43
277.241272	0.67
279.2490845	0.17
281.0900269	1.14
283.3695068	0.27
287.2354736	0.62
295.3407898	1.24
296.4998169	0.11
299.1958313	2.87
300.0354004	0.69
305.3026428	4.85
306.3267822	0.45
313.2458496	2.53
319.214386	0.08
319.9572754	0.13
323.2417603	100.00
331.6919861	0.55
340.4299622	0.57
341.1341248	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	291.0857
Annotation	Gerfelin
Peak:m/z	Relative Intensity
95.0102844	0.11
108.9893036	0.17
118.8067169	0.37
119.4845886	0.07
122.9080658	100.00
124.0832977	0.43
125.0552902	0.57
126.9958878	0.94
137.2218323	0.23
139.0281525	91.17
146.9568787	6.88
151.0503845	28.54
153.1024780	1.04
165.0264282	69.80
169.0170593	1.65
172.0358582	0.47
180.9662170	0.97
195.1160278	0.10
200.3539734	0.42
203.1105042	0.11
204.7224731	0.20
207.1372986	0.36
213.0067749	0.11
214.0316162	0.07
228.2437439	0.19
231.0755005	0.68
232.0278625	0.39
234.3267517	0.43
240.6078186	0.14
241.2263489	0.23
242.4475708	0.20
245.1649170	1.34
246.1724854	0.28
247.2201538	0.42
249.0879822	1.90
250.2305603	0.24
255.0674133	1.41
256.1170959	0.33
259.9671936	0.12
262.6420288	1.54
267.8775330	0.20
269.6600342	0.11
273.0466614	56.44
274.2008057	0.21
281.4643860	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	522.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
158.0987091	0.27
161.0107880	0.07
164.0016632	0.10
175.1051941	0.37
185.1460419	0.27
188.2416992	0.19
203.1208954	0.84
209.2706299	0.21
221.2141876	2.75
244.3932800	0.17
248.2035217	0.34
251.2880249	0.25
253.1195831	0.59
266.1376953	0.53
284.0871887	5.49
306.5053711	0.10
308.4113770	0.32
317.1970215	0.18
324.2152710	0.11
325.1416626	0.11
342.0174561	0.82
357.2089844	0.06
360.1990967	100.00
373.3627930	0.63
403.0932617	0.13
416.4596558	0.11
418.3950195	0.19
419.1577148	0.33
421.4766846	0.28
424.1541138	0.11
433.4813843	0.27
449.2716064	0.23
456.2285767	0.11
458.7802124	0.33
461.4722900	0.22
463.1083374	0.36
468.0697021	0.11
469.1425781	0.43
476.2412720	0.21
478.7883301	0.29
490.9046631	0.22
504.2218018	5.14
505.2675171	0.77
507.9371338	0.28
509.4689941	1.44
513.3959351	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2499
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
99.08426666	0.31
107.0667572	1.01
109.1039886	0.53
120.9501266	1.16
122.6772766	0.14
123.294342	0.14
125.008812	0.11
130.8662872	0.09
132.8969421	0.27
135.0955963	2.63
137.1469727	0.51
141.3820496	0.04
142.9234314	1.33
144.8704224	0.26
146.9423828	0.90
149.2835541	0.96
151.0343323	0.41
152.9923706	0.09
155.0737305	0.20
157.0593262	0.86
159.0327454	1.47
161.1193848	1.16
163.1915588	1.18
165.0725403	0.99
169.1403809	0.42
171.3974152	0.24
173.1349487	0.70
174.995636	1.18
177.2659302	0.69
179.2526855	0.06
179.9546204	0.14
181.1241608	0.34
183.1622772	1.06
185.1363831	0.05
187.0080109	0.84
189.0841064	0.25
191.140686	0.39
193.0079956	0.13
197.1974487	0.48
198.9626465	0.31
199.8574066	0.53
201.2579651	0.16
203.2476807	0.40
205.1099243	0.94
209.4864197	0.26
211.1170044	1.69
213.360321	0.23
215.0617065	0.07
217.1305542	1.67
223.2956238	0.55
225.1121216	0.23
227.0345459	0.53
229.3065796	0.26
231.0839233	5.38
232.8874207	0.28
234.4798279	0.18
235.3609924	0.19
237.1319275	0.23
238.617981	0.45
241.4763184	0.22
243.1610718	0.35
245.303894	1.00
247.1732788	6.56
249.2780457	0.57
252.864563	0.48
255.3360596	0.35
256.9748535	0.62
259.1170959	1.32
261.3736877	0.14
265.0311279	0.18
266.0877686	0.05
267.3621216	0.21
269.3527222	0.62
271.300415	0.95
273.0890808	0.21
277.2667847	0.79
279.1299744	0.14
281.1396484	0.06
281.9890137	0.20
283.2639771	0.96
285.2762451	0.97
287.276947	0.31
294.759491	0.48
295.4152222	0.31
296.2850342	0.17
297.3760986	0.22
299.3054199	2.51
299.9430237	0.05
305.3562622	1.74
309.3544922	0.43
312.3747559	0.22
313.3968201	0.50
323.2352295	100.00
324.353302	0.91
326.1578979	0.19
328.6716003	0.08
341.1636353	2.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	448.2472
Annotation	N-Acetyl-leu-leu-tyr
Peak:m/z	Relative Intensity
140.1999969	0.14
153.0415039	0.12
164.6139832	0.13
180.9961853	0.06
182.9107361	0.15
189.7168274	0.08
196.1422729	2.62
198.2263794	0.22
213.9558868	0.77
232.9820557	0.18
251.3227539	100.00
271.1361694	0.04
279.7267151	0.31
295.2155151	0.13
301.0748596	0.10
307.4095764	0.38
320.1501160	0.06
321.0360107	0.14
322.3211670	0.86
343.6938171	0.07
353.1521912	0.05
357.2510986	0.08
364.2721558	0.19
372.8328552	0.24
376.3455200	0.19
386.0802612	0.16
387.5448914	1.15
389.3972778	0.18
389.9991150	0.23
392.2718201	0.11
399.9271240	0.41
401.5154114	0.06
402.5427551	0.11
404.1020508	0.59
405.0255432	0.07
406.4909363	0.15
410.4350586	0.70
412.2286987	1.74
417.2155457	0.20
418.0932312	0.33
420.2626038	0.20
421.2823792	0.31
426.2186584	0.14
429.5902405	0.59
430.3744202	0.52
433.5155945	0.08
439.2291565	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	731.4313
Annotation	Spergulin B
Peak:m/z	Relative Intensity
235.2726593	0.49
241.1749573	0.11
243.1264648	0.07
247.1182556	0.05
259.2009888	0.13
269.4952393	0.20
279.5638428	0.21
291.3902893	0.55
293.5430603	0.02
295.1625366	0.05
301.3853149	0.03
303.1056519	0.11
305.5845947	0.09
309.4897766	0.10
317.4598999	0.12
319.4057007	0.17
320.5432739	0.31
335.2971802	0.31
336.3321533	0.03
347.2913818	0.15
349.3449707	0.07
365.5632935	0.08
372.2738037	0.06
377.4024658	0.18
380.5489502	0.08
391.6003418	0.07
395.3881836	0.14
404.2055664	0.02
414.4927979	0.07
421.9691162	0.05
423.1386108	0.08
425.3397827	0.05
426.3288574	0.08
436.2741699	0.04
437.5787964	0.13
438.4876099	0.09
443.3079224	0.02
446.6306152	0.05
453.3244019	76.05
454.2714233	14.50
455.3264160	0.24
457.2812500	0.17
463.0308228	0.06
467.5853271	0.18
479.5302124	0.07
480.1346436	0.16
497.3357544	0.39
498.1115112	0.05
500.9037476	0.09
503.7193604	0.03
511.5324097	0.07
517.3428345	0.03
519.3891602	100.00
520.4024048	22.81
521.7382812	0.70
522.3531494	0.04
529.4827271	0.69
532.4046631	0.13
533.7696533	0.08
543.4074097	0.10
545.6066895	0.09
549.6808472	0.10
551.3480835	0.19
552.4948730	0.45
557.5683594	0.10
559.5235596	0.36
569.4471436	1.59
570.5150757	0.30
571.3993530	0.16
584.3572998	0.04
591.4558105	0.02
595.4739380	0.24
600.6669312	0.10
611.1818848	0.76
613.3312378	0.06
623.4302368	0.06
629.5835571	0.02
631.7005615	0.14
634.5575562	0.07
636.5034790	0.09
641.1782227	0.02
644.4159546	0.04
646.8217773	0.06
650.9878540	0.03
657.2824097	0.09
669.0072632	0.13
669.7737427	0.31
672.6492310	0.05
673.7566528	0.04
679.0885620	0.32
681.4402466	0.01
686.1061401	0.37
690.9515991	0.06
695.2971802	0.13
696.5788574	0.42
697.2733765	0.05
700.1283569	0.13
701.2201538	0.12
703.4077148	0.48
713.4795532	0.72
714.6655273	2.77
715.4550781	0.94
731.5015869	0.22
732.9329224	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	331.1533
Annotation	Gibberellin A11
Peak:m/z	Relative Intensity
95.03585052	0.10
109.1233749	0.03
119.0914307	0.33
122.9276505	0.08
129.0696564	0.23
131.1967621	0.12
135.8414764	0.44
137.1004791	0.69
149.0850525	0.89
151.0079956	14.04
153.0630798	0.09
157.1661682	0.35
161.046463	0.39
163.1805725	0.70
165.1479492	0.38
173.853775	0.05
175.0411377	0.06
176.9143372	0.21
179.3245697	0.04
180.8035278	0.42
184.8338013	0.07
189.1202545	10.19
192.0154724	0.10
193.1103973	0.03
194.0311127	0.11
196.9369507	0.06
203.3505707	0.06
207.0411072	4.64
208.9180603	0.19
221.2017517	0.27
227.4014587	0.05
231.1277466	0.31
237.2070312	0.08
239.0952148	0.04
240.484375	0.09
242.0593567	0.05
243.1583252	0.12
246.0725708	0.08
249.245636	2.64
250.2502441	0.03
253.0010376	0.68
253.6357727	0.08
255.1806335	3.57
257.3528748	0.07
263.1846924	0.31
264.210083	0.03
267.2401733	0.23
268.9098511	0.37
271.0908813	0.13
274.9957275	0.45
276.9169922	0.07
278.2342529	0.12
281.1518555	4.26
282.2424316	0.16
285.1433716	11.69
287.1724854	51.05
289.8642883	0.18
295.2630005	0.43
298.0159302	0.07
299.1980591	0.47
301.2804871	2.49
302.928009	0.16
303.7879944	0.18
313.1509399	100.00
313.7633667	0.34
314.3987732	0.09
316.1995544	0.06
330.5695496	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2625
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
80.78566742	0.42
89.17182159	0.87
91.11021423	0.19
92.83674622	0.37
94.83383179	3.28
97.00170898	2.23
101.0005417	1.33
102.7776337	0.12
107.0195389	2.15
108.9965744	2.29
110.7665024	1.34
114.8311462	1.74
121.0507507	1.38
123.0834961	1.35
125.061676	1.72
127.1470566	0.20
128.7743988	0.47
133.121994	2.08
135.0361938	4.61
136.9521942	2.36
138.0164185	0.28
139.0177307	0.20
140.9744415	0.56
141.9484253	0.51
143.1053467	0.61
145.0192261	0.54
149.0978546	4.00
151.0818787	3.58
152.9593201	0.26
154.9326172	0.77
156.9568787	0.23
158.0062561	0.15
161.1287689	0.20
161.9851685	0.14
163.0485992	2.79
164.8388672	2.65
166.1044922	0.42
167.420105	0.30
168.9753723	3.65
169.9018402	0.24
170.8368225	0.13
173.1807709	0.48
174.1227875	0.25
174.9415741	0.22
177.0669861	4.87
179.3983002	0.53
181.072403	0.30
183.0979309	2.24
185.1163025	1.03
186.789978	0.20
189.137085	0.71
191.278595	1.37
191.947464	0.40
193.0547485	0.45
195.0997925	0.48
197.0704651	0.68
198.0030518	0.73
199.1081543	1.37
201.1022949	0.67
203.1568909	0.10
205.1040955	1.31
207.0374451	2.07
208.984436	0.78
211.0991211	3.71
212.1712952	0.87
213.0024719	0.21
219.0002136	0.21
221.0744629	0.61
223.0702515	0.22
225.0169373	4.71
227.3257141	1.11
229.5656433	0.51
235.0562744	0.08
237.3984985	0.50
239.229187	2.26
240.9274597	1.60
241.7649841	0.37
244.7169495	0.20
247.2144165	41.63
253.1083984	0.96
254.0532227	0.30
255.3481445	0.22
256.1593018	0.13
263.1003418	0.29
265.2521057	100.00
266.1701965	0.22
274.2156677	1.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	518.3225
Annotation	PC(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
151.2234497	0.04
184.0142517	17.03
197.0937347	0.04
227.0643768	0.07
257.9794922	0.18
275.8270264	0.12
290.9598389	0.05
294.3331604	0.19
309.2842407	0.09
334.4873657	0.06
357.5310059	0.07
373.2094727	0.12
375.1626587	0.13
377.3722534	2.10
393.0829468	0.03
397.7753906	0.03
415.1201782	0.18
440.8637085	0.18
451.3944702	0.20
455.3723755	0.04
458.3153687	0.11
460.2459717	0.28
464.0122070	0.22
469.3341675	0.20
482.3898926	0.11
483.4871216	0.04
484.4296875	0.26
489.9959106	0.04
500.4023438	100.00
501.2971802	0.85
517.4723511	0.13
528.8214722	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	413.1405
Annotation	t(6)a
Peak:m/z	Relative Intensity
119.9046097	0.21
135.924942	0.14
162.0045776	0.82
162.9293823	0.14
172.7721863	0.05
175.139801	0.06
196.891983	0.12
216.0081635	0.13
231.2866821	0.06
232.3953552	0.05
233.0728455	0.25
249.2662048	0.25
250.1410828	0.12
251.2544556	0.07
255.4741516	0.10
260.7773132	0.10
268.1694336	3.71
269.6443787	0.37
273.2472229	0.16
281.0969849	100.00
283.3693237	0.14
286.4052124	0.06
287.4444275	0.10
293.3042603	0.17
294.1165771	1.10
301.1647949	0.43
323.3738403	0.25
329.3474426	0.14
338.3435364	0.69
348.3000488	0.11
350.3642578	0.37
353.4296265	0.29
354.1148987	0.06
355.1878052	0.12
356.4506836	0.19
359.1990356	0.15
362.2607422	0.22
366.8561401	0.11
368.6126709	0.16
369.2259216	0.54
370.2166138	0.19
371.1815796	0.43
377.0766907	0.49
381.4760437	0.20
382.8302307	0.04
385.4429626	0.23
388.9723816	0.15
394.5156555	0.75
395.3013611	1.93
404.3077087	0.39
413.0018921	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	543.1312
Annotation	CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate
Peak:m/z	Relative Intensity
172.2331848	0.75
200.1546021	1.03
240.2693634	0.36
245.2191925	0.48
248.7732544	0.70
265.0797119	0.80
283.0115967	24.79
284.9132690	0.54
332.8874512	0.39
361.8207397	0.32
363.2015381	79.40
364.8642578	0.41
366.8353882	1.08
381.1397705	100.00
382.0547485	1.21
385.1151733	2.19
387.1364746	0.25
397.1325073	2.44
400.9997559	0.49
402.1448975	5.44
410.0571899	2.89
411.2563477	1.74
422.8593750	0.38
432.0225830	0.70
445.1417847	3.41
452.7374878	0.41
471.3101807	0.27
478.9099731	0.41
483.1275635	2.56
501.4904175	1.89
505.8981323	0.58
507.0468750	1.76
525.1740112	12.14
526.0310059	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
192.9703674	0.10
196.1817932	0.11
211.1697388	4.51
235.0218506	0.13
253.2813873	0.39
259.3792114	0.03
275.3512573	0.04
291.2794495	0.13
298.9870605	0.13
311.1057434	0.34
314.1917114	0.10
316.8492126	0.19
323.1821289	0.05
342.3276367	0.16
377.5643921	0.08
383.4666138	0.16
387.4078369	5.67
405.3439331	1.25
417.2673950	0.04
419.2624512	0.11
428.8405151	0.40
429.4445190	2.25
435.2318115	0.13
441.4467773	0.09
447.2227173	3.74
461.5356445	0.20
467.8159180	0.20
479.5368652	0.17
481.1294556	0.26
510.1665649	0.06
512.9105225	0.12
520.8707886	0.16
531.1564941	1.07
531.9913940	0.25
538.9879761	0.11
543.4445801	0.10
545.4608154	0.50
546.7168579	0.19
550.9746704	0.27
551.6693726	0.11
553.1103516	0.09
556.5285034	0.05
559.1828003	0.81
564.5196533	1.47
565.6653442	0.20
567.0575562	0.16
569.8568726	0.06
572.9216919	0.06
577.1855469	0.09
579.3284912	0.06
595.4833374	0.88
597.2033081	2.22
597.8134155	0.40
600.7382812	0.05
605.5813599	0.55
623.4105835	100.00
624.2434692	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0668
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
100.9710236	0.29
106.7239838	0.17
113.0827942	0.32
118.9914551	0.06
122.9371567	0.74
124.3829193	0.51
125.0655212	7.13
130.9308472	0.03
137.1463013	0.21
139.0304565	0.11
142.741806	0.22
149.092514	0.04
151.0519714	3.16
152.9456177	0.90
158.0602722	0.12
164.9848022	0.09
167.106369	1.08
168.0283813	1.13
169.0177002	100.00
178.9529419	0.48
181.0014343	0.08
183.0653687	1.77
190.9169617	0.06
193.0959778	15.10
197.2369995	0.27
203.1030121	0.05
204.9697418	0.04
209.1610413	0.14
211.0189819	33.14
218.8161011	0.13
223.0581665	1.02
233.3201904	0.21
235.2527771	0.43
241.0877075	2.25
251.1134644	0.06
253.1173096	0.54
271.0632324	85.55
271.6928406	0.24
295.0649414	0.72
313.1375122	4.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	401.1086
Annotation	Veranisatin B
Peak:m/z	Relative Intensity
137.0511475	0.05
139.0065155	0.10
141.0516968	0.04
149.1097717	0.10
169.0068817	0.06
176.9468994	0.02
181.1669769	0.16
183.1424408	0.08
190.9284973	0.04
193.0924683	24.16
194.8899231	0.14
202.9670563	0.14
211.1522827	0.12
220.3856812	0.10
235.2440796	0.17
237.9390869	0.07
239.0675049	1.94
241.2077942	0.07
258.8686523	0.05
263.1102905	0.21
264.0471802	0.08
266.9965820	0.06
269.2174988	0.04
271.0349731	0.17
276.8700562	0.03
278.9481201	0.03
281.1249695	1.32
295.0219116	0.05
307.7394409	0.04
311.0478516	0.07
311.9556885	0.07
317.3533325	0.03
321.3129272	0.08
331.3536987	0.29
338.8079834	0.07
341.2923279	0.70
343.2586060	0.03
355.1018677	100.00
356.0069580	0.19
357.0981445	0.35
359.3833008	0.09
363.0270691	0.22
365.0400696	0.21
366.0638123	0.08
371.2092285	0.17
372.1547546	0.05
373.1537170	0.10
380.1589050	0.05
381.2585144	0.34
382.3433533	0.10
383.1493835	0.67
384.0879822	0.18
392.1185913	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	218.1032
Annotation	Pantothenic acid
Peak:m/z	Relative Intensity
70.9785004	1.15
88.0185699	100.00
108.1168365	0.06
115.9939270	0.14
126.2323914	0.19
131.1615295	0.08
146.0395355	11.95
149.7793732	0.21
151.9068298	0.05
156.0195465	0.07
174.1414337	0.76
174.9397430	0.07
188.2101898	0.22
191.0465851	0.03
200.3809357	0.73
202.8527069	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	472.9247
Annotation	Unknow
Peak:m/z	Relative Intensity
245.0111237	0.07
272.9477234	0.10
291.2227783	0.02
357.1664124	0.02
359.0643616	0.34
371.4795837	0.02
388.2930298	0.01
415.3688965	0.04
426.9994812	100.00
428.8694153	0.17
444.2569275	0.07
445.1154175	0.06
455.0267639	0.03
462.9491272	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	495.0775
Annotation	Hibiscitrin
Peak:m/z	Relative Intensity
165.0176239	0.03
168.9558716	0.51
170.0743866	0.07
170.9931030	0.02
172.0487061	0.01
172.9457245	0.02
191.0510559	5.81
192.1446228	0.89
193.1201630	0.13
194.2156372	0.01
203.1198120	0.03
204.9660339	0.01
211.0247345	0.03
231.8744354	0.01
233.1963654	0.05
240.2405090	0.02
243.2862091	0.01
245.2168121	0.04
259.1352844	0.02
269.5058289	0.01
289.2631226	0.15
290.4276733	0.02
292.5395203	0.05
295.9165344	0.04
297.3028870	0.05
303.1647339	0.27
304.1738586	0.16
307.1976013	0.07
310.3128967	0.05
311.0854492	0.01
313.4240112	0.02
315.2559509	0.03
320.9792786	0.05
325.2322388	1.23
326.0927124	0.01
331.2054138	0.06
333.1370850	0.14
343.0845947	100.00
344.0916748	16.70
344.9194336	0.00
349.5097046	0.01
351.3760376	0.05
361.2340088	0.02
362.0989380	0.07
363.2918701	0.07
364.2171021	0.01
365.2297974	0.04
369.1788025	0.04
378.0260620	0.01
380.2860718	0.02
381.4948425	0.02
390.9789734	0.10
400.1265564	0.04
407.7336731	0.03
408.3811340	0.11
409.1006165	0.04
413.2273865	0.01
415.3615112	0.01
419.5768738	0.04
421.3559265	0.01
422.7691345	0.01
433.3222351	0.01
442.6323547	0.05
447.8880615	0.01
449.2005920	0.39
450.9719543	0.05
452.2480164	0.04
453.5880127	0.03
458.3524475	0.02
460.1962585	0.05
466.1118774	0.01
467.7432251	0.02
468.9454651	0.01
475.2874451	0.04
477.2631226	0.02
478.2199097	0.12
486.1635437	0.13
493.5530396	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	839.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
312.9490967	0.06
372.8648071	0.08
390.1251831	0.02
437.1912231	0.11
449.5826416	0.09
456.9764404	0.05
463.2957153	0.10
502.1811523	0.07
515.1762695	0.03
517.2945557	0.09
606.4286499	0.19
609.6018066	0.02
620.9226074	0.27
647.5291138	0.12
650.3615723	1.43
651.6495361	0.10
661.6427612	0.06
669.0717163	0.16
670.1864014	0.13
677.3305664	0.09
682.3431396	3.99
683.2903442	0.07
686.5573120	0.12
687.4596558	0.12
688.1318970	0.06
702.6400757	0.10
703.6057739	0.05
721.5674438	0.09
735.3790894	0.08
745.3799438	0.14
747.4105835	25.80
748.2585449	0.02
751.5609131	0.06
757.7636108	0.31
761.3557739	0.37
763.3226929	0.94
771.4730225	0.56
778.0815430	0.14
779.3674927	66.50
780.2517700	0.04
789.3881226	14.33
793.5636597	0.12
795.3146362	0.58
803.4424438	0.51
807.3347168	100.00
808.0189819	0.69
816.4465332	0.07
821.3831787	21.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1141
Annotation	Lactulose
Peak:m/z	Relative Intensity
173.0664062	0.05
179.2161865	0.02
251.3232422	0.02
297.1292114	0.02
299.2987671	0.01
341.2117310	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	331.1532
Annotation	Anisocoumarin C
Peak:m/z	Relative Intensity
112.6114960	0.10
119.1015091	0.08
123.0397873	0.06
137.0671844	0.97
139.2069550	0.04
143.0576782	0.05
148.9628296	0.75
151.0877991	14.50
157.1577148	0.16
159.0173645	0.04
160.9158936	0.08
163.0066223	0.94
165.0952454	0.03
172.1029510	0.28
174.1019135	0.05
177.1379089	0.15
179.1719666	0.09
183.1839905	0.10
189.0835571	9.94
191.0614929	0.03
197.2286377	0.08
207.0792389	4.63
221.2891846	0.16
223.3973999	0.02
224.1264954	0.06
230.9903564	0.07
235.2443848	0.07
249.0960083	1.47
253.1519775	0.37
255.1937866	2.45
263.3214417	0.13
267.0636597	0.36
271.1668091	0.29
272.4858704	0.13
275.0376892	0.61
277.2695312	0.11
281.1118164	5.05
282.1728516	0.04
285.2334290	12.95
287.2379150	58.68
290.2572327	0.14
295.2007446	1.02
296.2284241	0.26
299.2478333	0.30
301.1591492	2.60
302.1879272	0.05
311.7331543	0.11
313.2607422	100.00
315.0362549	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	881.1556
Annotation	3,3'-Digalloylprocyanidin B2
Peak:m/z	Relative Intensity
245.2081451	0.14
259.0115051	0.15
269.0552979	1.49
270.2215881	0.35
271.0686646	0.05
272.1746826	0.03
276.9964294	0.12
279.0178833	0.07
281.0706482	0.38
282.2187195	0.06
283.2399597	0.08
285.0395508	0.20
287.0924683	0.79
289.1224060	2.08
290.0801086	0.22
293.0600586	0.04
299.1683960	0.05
301.2092896	0.14
302.0878296	0.05
303.1689758	0.31
305.1311646	0.12
309.1351318	0.16
313.1947632	1.00
314.1127319	0.32
315.2167969	0.12
320.8031921	0.03
323.1262512	0.05
327.2813110	0.06
329.2976685	0.18
331.0865173	0.05
339.3429260	0.12
352.2753906	0.04
353.2577820	0.07
354.3082275	0.11
357.0736694	0.15
361.4726562	0.05
363.2104492	0.23
364.2745056	0.03
369.3317566	0.10
372.4544067	0.05
376.2770386	0.08
377.2691040	0.05
380.9871216	0.05
387.2201538	0.07
389.2098083	1.54
390.1608887	0.12
391.4909668	0.04
393.1072388	0.03
395.2483521	0.26
396.2207947	0.05
397.3658447	0.07
404.8751831	0.37
405.5853882	0.04
407.1810303	20.60
408.2387695	6.61
409.0166016	0.02
415.2774658	0.31
416.2218018	0.09
419.3319702	1.28
420.2877197	0.52
421.2835693	0.07
423.2762451	0.08
425.3806763	0.03
431.1914062	0.62
433.2033691	1.23
433.9458008	0.15
435.1722412	0.14
437.2126465	0.37
439.1400146	1.34
440.5973511	0.55
441.2385254	4.91
442.3208008	0.68
447.2711792	0.05
449.1223755	0.56
450.4478149	0.45
451.2056885	0.53
453.4121704	0.11
461.3900146	0.14
465.2994385	0.12
478.7666016	0.06
483.4991455	0.03
484.5435181	0.14
487.4290771	0.24
491.1880493	0.05
497.5677490	0.06
498.3093262	0.18
515.2901611	0.63
516.3717651	0.10
523.1692505	0.19
524.3092651	0.03
531.2833252	0.13
533.1172485	0.13
534.2694702	0.03
541.2448730	6.36
542.2390747	2.18
543.4146729	0.03
544.0560913	0.07
547.2141113	0.07
559.1942749	19.41
560.2069092	5.59
561.0290527	0.19
562.4809570	0.07
577.1619873	8.96
578.2219238	3.24
583.2209473	0.03
585.2910767	1.47
586.2938843	0.41
587.2885742	0.27
589.1196899	0.39
590.2019043	0.26
591.3253174	0.04
593.2977905	0.54
594.1773071	0.18
601.3690796	1.17
602.2373657	0.59
603.2218628	2.46
604.1738281	1.50
604.8894653	0.03
619.8479614	0.09
627.1580200	0.07
635.3297729	0.35
650.2239380	0.02
655.2051392	0.03
660.2240601	0.13
662.3264771	0.10
665.3807983	0.11
667.1528931	0.33
668.2234497	0.55
685.0945435	0.30
686.4147339	0.09
693.3049927	0.57
694.3718872	0.35
701.3240356	0.21
711.2061157	24.52
712.2614746	8.39
713.2775879	0.16
719.3605347	0.50
720.2093506	0.03
729.1425171	100.00
730.1927490	44.95
730.8522339	0.38
736.4373169	0.48
741.2818604	0.03
747.5001831	0.07
753.8321533	0.03
755.1318359	1.92
756.3258057	1.13
760.4857178	0.06
761.5231934	0.06
771.2600708	0.08
785.9583130	0.04
796.2408447	0.09
805.2111206	0.67
805.9354858	0.02
809.5418091	0.08
812.4630737	0.06
818.2180176	0.14
834.4806519	0.20
837.1914062	0.36
838.6012573	0.15
853.5838013	0.05
854.4193115	0.28
859.8917847	0.24
863.3806763	0.18
864.3894653	0.06
867.6906738	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	751.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
233.8303986	0.12
235.5714111	0.40
243.2085114	0.08
250.9757538	0.58
271.3743896	0.35
307.2004700	1.31
315.3553162	0.51
337.2638550	0.34
339.4622192	0.11
356.2949829	0.09
357.2907715	0.21
373.2336426	0.20
379.5104980	0.30
409.2140503	0.14
414.2233276	0.10
419.1178589	0.31
443.1881104	0.16
461.7054443	0.38
469.3127441	100.00
470.4058228	2.59
482.3430786	0.31
495.2108154	0.36
497.7316284	0.07
499.2495728	0.39
501.2835083	0.24
523.4585571	49.58
524.4369507	2.19
553.6230469	0.60
564.4526978	0.19
569.0842896	0.09
571.3294067	0.58
576.7112427	0.42
588.4834595	0.18
589.4478149	2.91
590.8703003	0.28
603.8916626	0.16
607.3114624	0.23
610.4942627	0.22
617.5118408	0.23
622.5045776	0.51
626.4423218	0.18
628.7221680	0.05
631.4226685	0.13
634.7265015	0.10
637.6378784	0.27
638.6211548	0.28
653.5075073	0.61
662.5859985	0.46
667.5059204	0.32
676.7460938	0.37
683.5339966	0.52
684.6370239	0.26
687.6589966	0.20
688.6544800	0.59
690.4353638	0.06
692.1506958	0.28
703.0567017	0.17
705.1345825	0.38
714.4330444	0.61
718.6583252	0.48
719.4921265	0.34
724.2957153	0.13
732.2128296	1.10
732.8236084	0.75
733.4915771	0.35
750.5479126	0.87
752.6380005	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	432.2582
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
133.0672302	0.54
135.2767487	0.54
149.1571655	1.60
160.9698792	0.07
162.8420410	0.54
165.1438293	0.10
177.1651611	0.10
187.1826172	0.15
188.9924011	1.57
194.0892944	0.11
195.2483063	0.21
198.0066376	0.13
207.0122986	24.99
209.1203003	0.32
221.2885284	0.15
224.4496460	2.49
225.0717773	15.18
268.9633484	0.30
270.1894531	0.27
277.0843506	0.08
302.8623657	0.27
309.3377075	0.71
313.8084106	0.21
317.8619385	0.21
328.5305176	0.44
341.4363403	0.10
347.2965698	0.06
351.1341858	0.75
358.0454712	0.17
360.4526367	0.16
361.3509827	0.19
365.1787109	0.07
368.2084656	2.59
369.0167236	12.33
371.1866455	0.23
372.9221497	0.52
379.1662598	0.16
383.6808777	0.21
386.2632446	3.74
386.9178467	37.81
387.6000061	0.36
388.2599182	0.29
389.2623291	3.67
391.3001404	1.99
396.1560669	1.65
397.0419006	0.88
400.8011169	0.22
404.1474915	0.15
410.5382080	0.62
411.1871643	0.66
413.2322998	1.53
415.2364807	100.00
415.8642883	0.23
422.7601013	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
93.10070038	0.27
96.78144073	0.10
98.78547668	0.21
106.928299	0.14
108.9853592	1.19
110.8248978	0.72
112.9107056	0.14
115.0333405	0.20
119.0422974	0.25
120.9575043	0.98
123.1545944	0.66
127.1225739	0.30
130.7912292	0.18
133.1104431	0.87
135.7664032	0.11
137.1668701	0.21
138.9424438	1.41
141.0952759	1.75
142.9054871	0.16
144.180603	0.22
147.3468781	0.39
149.1412964	0.35
153.0819397	0.66
155.080658	0.27
156.9242706	0.77
161.2187195	0.86
163.2876434	0.51
165.1511536	1.45
166.2685242	0.59
167.2029419	0.15
169.0359039	0.29
169.929657	0.52
171.2522888	1.98
173.1648865	0.24
175.3578491	1.05
176.8918152	0.39
179.1807861	0.63
181.2531738	0.25
182.805481	1.68
183.4380188	0.23
185.11586	1.08
189.0572662	0.82
191.1329956	1.01
192.0899353	0.52
193.117981	1.22
195.2845154	0.24
196.9511871	3.02
199.4285278	0.40
203.3522644	0.54
207.1022034	1.19
209.3820801	0.34
211.1185303	2.22
213.3415527	0.32
217.0906982	0.28
219.2053223	2.53
221.2651978	1.43
221.8993225	0.42
224.2259827	0.27
225.2233276	0.70
233.2418823	2.01
237.2191467	3.54
238.0605774	0.17
239.1585693	10.36
240.357666	0.11
241.315979	1.29
243.2105713	2.49
244.9820557	0.40
250.0343933	0.52
251.1982117	3.26
253.0939636	1.01
255.1717529	2.21
256.0550842	0.25
257.1281128	0.10
261.3387756	6.22
265.7454224	1.69
266.3878784	0.29
269.1568909	1.08
279.2321167	100.00
279.8823547	0.84
281.5375671	0.22
283.2515869	0.31
287.1532898	0.39
288.3041992	2.09
295.638092	0.09
297.1069336	0.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	220.12
Annotation	Trans-Zeatin
Peak:m/z	Relative Intensity
69.93865967	0.29
71.68761444	1.28
87.22872925	0.29
89.93666077	16.34
97.86601257	0.66
115.9605713	3.05
124.0700378	0.26
142.2220001	0.31
148.1021423	0.19
157.0440979	0.37
159.5755157	0.12
160.3064575	0.14
165.9788666	0.52
172.1573029	0.11
174.0196686	3.65
176.1051483	0.22
176.9838257	0.26
178.9231262	0.13
184.0410767	21.32
184.7350311	0.51
189.1422577	0.12
190.1463623	0.03
199.0169373	0.20
202.1061859	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	569.2238
Annotation	Rourinoside
Peak:m/z	Relative Intensity
164.9340515	0.06
181.3649597	0.24
193.2772827	0.06
195.0187225	0.75
196.3029785	0.07
211.2688293	0.17
213.1948853	0.04
222.9077759	0.02
243.0902252	0.02
244.1144714	0.08
263.1643066	0.05
325.2178955	0.03
357.2749634	0.26
358.2365723	0.51
359.2597046	0.22
361.2608643	0.05
373.2536621	10.03
377.3535767	0.04
388.2184448	0.03
389.2808838	0.22
391.4777832	0.36
406.2074585	0.29
407.2600708	0.08
411.3649292	0.07
414.4922485	0.08
417.2753906	0.05
427.3854980	0.81
437.2443237	0.13
447.4995728	0.48
449.4739990	0.05
455.1686401	0.14
458.1666260	0.10
461.6573486	0.08
464.2205811	0.07
465.0596313	0.10
468.4901123	0.06
471.9268188	0.11
473.2105713	1.22
474.2330933	0.13
479.4985352	0.04
481.3129883	0.35
482.1165161	0.16
483.2570190	0.06
487.3335571	0.11
490.1230469	0.10
492.0062866	0.13
493.0687256	0.03
493.7737427	0.14
503.3096313	0.07
504.6124268	0.12
509.0609131	0.07
510.7053833	0.14
512.1356812	0.09
521.3539429	100.00
522.5296021	0.56
523.3715210	0.90
524.2631226	0.04
525.3610229	0.63
533.2794800	0.25
539.1771851	0.10
547.1370239	0.18
549.3890381	0.27
550.3917236	0.36
551.2433472	1.70
553.0196533	0.04
555.7605591	0.11
559.7707520	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	494.97
Annotation	Unknow
Peak:m/z	Relative Intensity
154.0666504	0.27
170.9411011	0.79
179.1960754	0.09
196.2353668	0.18
231.0323792	0.51
231.7955780	0.11
253.4840088	0.20
256.1077881	0.20
281.1692810	0.35
284.2478638	0.30
296.8903809	0.48
301.2743530	0.20
311.1054993	0.06
313.1625977	0.16
314.3176880	0.27
325.2876282	0.11
329.7770996	0.37
337.2811890	0.06
339.1188660	0.17
343.3546448	0.27
347.0132446	0.44
361.1203308	0.09
365.1358032	0.19
373.2339172	0.23
380.1978760	0.07
384.3973389	0.05
388.2202454	0.17
393.5427856	0.21
401.3897705	0.39
402.1084595	0.28
404.3332214	0.23
414.6015930	0.11
415.6611938	0.15
420.2964172	0.07
431.1181946	100.00
433.8087769	0.35
434.8538513	0.58
441.2341614	0.16
448.2666931	0.23
448.8902283	0.52
450.1790161	1.02
451.4603271	0.68
453.3783264	0.08
455.9816589	0.25
456.5820618	0.06
457.3787537	0.18
458.5904236	0.46
459.4476318	0.31
460.5057983	0.11
463.6485291	0.33
467.1841431	0.32
475.3162231	0.38
476.4160767	0.66
477.4714050	1.96
479.3344116	0.20
494.9678040	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.17
Annotation	Unknow
Peak:m/z	Relative Intensity
188.9841309	1.94
207.0355072	100.00
280.1281738	0.04
323.0570679	0.92
341.2474365	0.41
473.3762207	0.62
502.0467529	0.04
503.3365479	12.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	671.2
Annotation	Unknow
Peak:m/z	Relative Intensity
233.0814514	0.15
251.1293945	0.05
255.0829773	0.09
269.1471252	0.31
294.0666504	0.14
329.1197510	100.00
339.2138672	0.06
367.0786133	0.21
417.4609985	0.09
481.0806274	0.27
490.6213379	0.50
491.2395630	0.77
493.3240356	0.08
497.1427002	0.16
499.1581421	0.13
524.3789673	0.21
537.1791992	1.77
543.5872803	0.19
583.3825684	0.33
609.1317139	0.33
625.2372437	0.22
635.3336792	0.99
653.2515259	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
92.93238831	5.35
133.1363525	0.56
137.0222626	100.00
150.9619751	0.37
161.0707397	1.25
175.0353699	0.47
179.2301788	1.08
181.0315552	0.37
182.8700562	0.64
202.8216248	2.27
206.8846436	1.17
213.1028137	0.78
237.1927185	1.76
239.2480774	0.49
242.1531372	0.69
242.804657	0.77
253.0550537	7.88
255.0965271	1.79
257.2626953	0.41
271.6190796	0.35
281.0805054	3.66
283.0673828	0.35
284.1721497	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2626
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
80.92205048	0.73
82.91970062	0.75
85.13959503	0.56
86.91904449	0.26
89.01489258	1.55
93.03521729	1.17
94.94861603	6.33
96.48208618	1.77
97.08711243	3.50
99.13189697	0.49
100.9105682	1.83
105.1193237	0.17
107.100647	1.40
108.9778061	5.37
110.9624023	1.15
114.9484253	2.23
119.0989227	0.47
120.9615402	1.15
123.0976486	3.44
123.9649811	0.28
124.8420639	2.94
128.8210449	0.41
131.352478	0.66
133.0549927	3.93
135.0388184	7.21
136.9181519	3.03
138.9305115	2.73
140.9453125	0.93
142.1725769	0.55
143.2584534	1.25
146.967041	0.29
149.0913391	5.29
151.0527649	3.81
153.1748962	0.86
154.7303467	3.53
156.2756653	0.39
157.1243744	1.05
163.1549072	4.23
165.0658112	2.69
167.1441345	0.78
168.9062805	2.14
171.045578	1.34
173.0316162	0.62
177.0678864	4.49
178.8357849	0.78
181.124054	0.72
182.9373169	1.57
185.3093719	0.48
191.3152466	3.10
193.1342773	0.35
194.0747375	0.90
195.1329041	0.39
197.1804199	0.21
198.637146	0.97
199.4031067	0.18
202.9450378	0.99
205.2714539	1.00
207.2697449	1.16
209.1200562	1.18
210.9546204	1.07
213.1602173	0.88
217.1707458	0.63
219.2842102	0.87
219.9529724	0.49
221.2750244	0.46
222.4133301	0.35
223.0184937	3.06
225.0681458	11.85
227.1621704	2.87
229.1390381	0.32
237.1640625	1.28
239.1738892	5.18
240.2233582	1.75
241.0114136	4.06
241.9472046	0.49
245.4168396	0.19
246.1578369	0.33
247.2922668	43.05
248.7701721	0.10
251.0494385	0.17
253.2719116	0.27
255.3670959	2.33
265.2593994	100.00
266.4058838	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	576.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
233.1955872	0.06
259.4924927	0.02
275.5614014	0.09
277.4272461	0.01
280.9758301	0.04
289.1906128	0.03
293.1082764	0.04
294.0272217	0.05
300.2994080	0.01
309.4930420	0.03
311.1153564	0.01
327.3499146	0.93
335.1934814	0.02
336.3029175	0.01
341.2395630	0.02
352.3631592	0.09
368.4222412	0.06
369.4298096	0.01
393.5230103	0.03
396.2165527	0.13
397.4562378	0.04
398.4453735	0.07
407.3638306	0.04
412.6187134	0.03
414.4393311	1.66
424.5676880	0.04
437.0602417	0.04
450.3980103	0.02
451.4835205	0.06
453.0846558	0.02
455.3535767	0.80
471.3287964	0.80
478.0273438	0.03
486.0330200	0.01
489.3574219	100.00
490.3359985	0.68
492.1139526	0.02
500.4635620	0.15
502.1358032	0.03
503.8739624	0.02
514.3546143	0.31
515.5219727	0.23
516.3137817	0.15
524.9409790	0.07
528.3391113	0.03
529.3964844	1.71
530.3324585	0.53
531.2566528	0.11
532.1286011	0.08
533.3635864	0.13
540.3467407	0.03
543.3658447	0.02
547.4859619	0.02
558.3287964	0.87
559.2677612	0.26
563.4259644	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
92.9486237	0.26
99.0306015	0.23
99.9575806	0.03
110.9464264	0.05
127.8557434	0.09
130.9142151	0.04
136.9057617	3.40
142.8429718	0.48
155.1550598	0.07
173.0785522	3.96
175.9187622	0.12
179.1084595	0.66
181.0010681	0.05
182.8237000	0.28
183.9561157	0.14
191.0472870	100.00
195.1349792	0.10
220.7182922	0.41
221.3732605	0.13
222.9725647	0.12
224.0096436	0.24
227.3628845	0.14
238.2059021	0.12
240.9803467	0.06
243.0321350	0.05
248.9003296	0.11
251.0946655	0.27
254.0146484	0.16
259.2358398	0.08
264.2378540	0.20
265.2154541	0.07
267.1325989	0.74
268.0128784	0.26
274.8985291	0.23
281.3118896	0.20
283.2484741	0.45
283.9093628	0.25
289.5636292	0.05
290.9563293	0.05
292.0722351	0.23
293.2178040	1.93
296.2323303	0.24
296.9356079	0.06
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
105.1143188	0.87
174.0889282	0.96
193.0779877	4.77
195.0967255	2.65
206.9903717	19.27
208.2991333	1.34
209.1635284	10.48
222.2702332	10.63
223.1624603	6.92
233.0967255	0.79
251.0740204	100.00
251.9467926	30.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.28
Annotation	Epothilone G1
Peak:m/z	Relative Intensity
164.0763245	0.60
179.3181763	0.46
188.3653564	0.37
235.3820953	0.28
244.1745758	0.31
245.0397949	0.60
261.0267334	0.89
262.4029846	1.69
263.3080139	3.24
270.9993286	0.46
283.3725891	0.21
284.9418945	0.21
286.1436768	0.52
289.1607056	0.14
292.1176453	0.70
303.0296631	0.21
304.3755798	0.67
310.0843201	0.67
316.1231689	0.60
317.378418	1.24
322.3711548	0.34
335.2990723	8.05
336.2512207	6.96
337.3508301	34.53
346.2944946	0.22
348.3128052	0.27
355.4425049	0.72
358.358551	0.14
363.4663696	0.40
369.2199707	0.23
371.1600037	0.45
375.0787354	0.38
378.5047913	1.17
379.5249939	1.01
381.3909912	0.09
384.0555115	1.71
386.4516296	0.20
387.7241516	0.81
388.7694397	0.81
390.6280518	0.27
391.3265991	0.90
393.1087952	0.22
396.5702209	0.29
401.8559875	0.16
410.4490967	0.43
415.2737732	0.70
416.3079834	2.44
417.2214966	7.66
419.4466248	0.28
420.2687683	0.28
433.5374756	1.39
435.2619324	2.52
443.0890808	0.81
446.2418213	1.74
447.0624695	1.66
453.1194763	0.16
454.6366882	1.18
455.3321838	0.31
458.5629272	3.18
459.5808411	16.77
460.2676086	100.00
469.3406067	1.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	422.09
Annotation	Unknow
Peak:m/z	Relative Intensity
200.1601257	0.42
202.6603699	0.49
213.2695923	0.09
243.1941833	0.20
254.2989197	0.26
283.0347595	0.08
285.2814331	0.13
286.4400940	0.07
287.5738220	0.11
288.1798096	2.53
293.3890991	0.21
294.3709106	0.84
301.4942627	0.21
306.0993958	7.24
330.0526123	0.19
334.0463257	0.15
343.2972412	0.15
352.2544250	2.53
361.1971741	0.12
367.3868103	0.13
368.2096252	1.09
370.1761169	3.91
375.2818298	0.16
376.0596619	0.31
378.2272644	0.11
384.3318176	0.20
386.1986389	32.90
388.1193542	1.56
391.2548218	0.24
404.1651611	100.00
404.9169617	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	551.1766
Annotation	Lactucaside
Peak:m/z	Relative Intensity
164.9562378	0.46
175.3284149	0.07
176.0181732	0.34
177.7980652	0.29
180.0306091	0.24
193.1105652	7.74
195.0360718	1.50
241.2608185	0.36
242.8786163	0.14
244.9235687	0.06
268.1718750	0.10
269.1677856	0.32
285.0005493	0.82
293.3787842	0.29
299.3067017	0.09
303.9439392	0.52
309.7190552	0.27
311.2593384	0.12
327.2154541	0.10
328.5233154	0.29
333.1546631	0.44
341.1057129	5.85
344.3002930	0.23
349.3203735	0.22
354.9942627	0.19
359.1547852	0.17
367.2105103	0.17
368.9116211	0.13
371.0389404	0.40
383.4288940	0.26
386.1889038	0.08
389.1854248	100.00
390.2863159	0.76
402.0455322	0.23
413.2315063	0.38
424.0709229	0.10
431.0889282	0.90
443.1431274	0.11
445.6057739	0.19
448.9827881	0.08
451.2180786	0.10
453.1772461	0.18
454.4697876	0.19
455.2075195	0.39
458.8338013	0.45
461.0585327	0.29
463.6773071	0.32
465.4470825	0.14
469.8176270	0.17
475.2550049	0.34
476.2697754	0.36
477.1638794	0.25
487.2880249	0.39
490.5988159	0.08
491.2858276	0.45
495.2057495	0.06
498.2315063	0.06
504.5542603	0.21
505.2097168	4.79
507.3078003	0.84
513.1199341	0.05
514.8756714	0.15
516.4237671	0.45
517.3778687	0.18
521.3288574	1.82
523.0007324	0.41
527.5355835	0.07
528.5861816	0.38
529.5596924	0.55
531.1222534	0.31
532.2890015	0.64
533.3973999	4.61
534.3146362	0.16
541.5571899	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	578.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
207.0884705	0.11
248.3510132	0.27
265.3524780	0.08
275.3137817	0.21
277.3202515	3.29
290.3928833	0.33
295.1596680	0.48
309.3264771	0.67
312.9242554	0.14
345.9057007	0.03
347.4634399	0.05
370.0941162	0.08
380.7707520	0.98
381.4857788	2.03
398.3416748	2.42
399.1832275	4.74
409.4721680	0.23
416.2923584	100.00
437.4856567	0.05
444.0115356	0.14
458.3806152	0.44
469.9877930	0.09
480.1509399	0.06
482.1109619	0.23
488.5462036	0.24
494.4248657	0.54
497.1603394	0.47
506.5501099	0.09
514.1376953	0.10
524.4641113	1.06
534.2854614	0.24
537.0491943	0.05
542.2462158	2.99
545.0463867	0.09
559.1160278	0.18
560.3500366	8.34
561.3388672	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	256.1286
Annotation	HC Blue No.1
Peak:m/z	Relative Intensity
79.9438934	0.09
82.4189758	0.06
85.0347748	0.35
85.9386902	1.54
94.2113342	0.06
97.0255127	8.02
98.9178467	7.97
102.1283646	0.04
108.0310974	0.08
108.9045715	0.23
111.1065369	1.82
113.9888000	18.36
126.1101837	1.92
127.0231171	0.14
138.0600891	0.20
140.1475067	0.16
142.0822906	0.62
143.0370941	1.80
152.1763611	0.11
154.9985809	100.00
157.1267700	0.04
166.2183228	0.06
184.1389465	0.27
186.0125885	1.71
194.0427094	0.13
196.1020660	21.49
197.2399139	0.53
200.0364532	0.18
200.9857635	0.14
209.9990692	23.75
210.6166077	0.13
212.1692657	5.22
220.0051422	0.32
221.2746735	0.14
226.1358032	0.07
228.2046509	2.61
238.0704193	1.91
239.0401459	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	345.0805
Annotation	Theogallin
Peak:m/z	Relative Intensity
103.4748459	0.03
106.7653503	0.05
108.9478607	0.24
110.9772797	0.14
124.9921875	1.43
126.9655457	0.19
128.9662323	2.03
139.1202393	0.26
146.9281006	1.39
152.9094543	100.00
156.8666687	1.32
171.0407410	7.16
174.9575958	2.57
234.0033569	0.08
262.9363098	0.12
278.7143860	0.11
280.1849365	0.10
281.0789795	0.19
282.5009766	0.05
298.8362732	9.31
304.0987549	0.03
316.8726196	4.09
327.1647034	78.32
328.1423340	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1087
Annotation	alpha-D-Galactosyl-(1->3)-1D-myo-inositol
Peak:m/z	Relative Intensity
100.8214035	15.02
106.731781	0.59
112.9909668	5.51
114.9193878	2.90
119.061264	11.12
130.5173645	1.02
136.957901	1.47
139.1764374	2.43
143.0891571	13.15
149.0315247	10.70
160.9472351	21.03
179.0465393	100.00
190.9699097	1.13
207.0997314	1.72
217.1016541	1.43
248.9775085	2.34
251.1138916	2.79
252.941803	0.26
269.3283386	4.96
279.4968262	1.98
281.2611694	2.03
295.0528259	6.73
296.9240417	8.11
297.8587036	3.21
299.0915527	1.16
310.9320068	0.80
312.9126282	1.62
313.8918762	1.65
322.9798584	6.81
326.1905212	0.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1141
Annotation	Lactulose
Peak:m/z	Relative Intensity
178.6818542	0.05
207.2207947	0.04
208.2760162	0.02
270.1545410	0.02
282.2195129	0.02
283.2075195	0.05
325.2807922	0.02
327.1038208	0.01
341.1606140	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	751.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
212.7151031	0.05
216.8790894	0.13
227.0244751	0.52
232.9821472	0.09
235.0619049	0.37
238.9997559	0.06
244.9493713	2.13
253.0554962	0.07
257.0023804	0.06
258.9346313	0.09
261.2806396	0.02
269.1583252	0.07
272.8287354	0.07
274.9496460	1.28
277.0413513	1.13
280.9532471	0.05
286.9055481	0.16
288.2751465	0.16
288.9688721	2.50
290.9308167	0.17
292.8558960	0.17
294.8789673	0.63
300.9481201	0.12
304.7908936	0.06
306.9847717	2.91
318.0928955	0.37
318.9583740	2.72
320.8654175	0.20
324.2775879	0.15
325.0989990	0.85
328.3309937	0.21
329.1015015	0.24
331.1154785	0.42
335.7406616	0.20
336.9204712	1.33
343.0882568	0.13
346.9589844	0.45
348.9072266	9.21
349.5553284	0.14
354.9862671	0.82
361.0170288	0.07
362.9717407	0.05
364.0203857	0.34
365.0982666	2.89
366.7242432	0.70
373.2334595	0.38
377.2072144	0.05
378.9749756	0.68
381.4152832	0.04
391.0599976	2.55
394.9467163	0.28
397.0543213	8.07
407.0181274	0.81
409.0411377	67.88
415.1529541	0.80
421.0037231	0.36
425.0654907	0.05
425.9185791	0.14
427.0797119	5.71
436.9130249	0.15
439.1011963	0.13
451.0281982	0.54
456.2406616	0.13
457.0621948	0.27
463.1450195	0.03
468.7119751	1.83
469.4266968	0.01
481.0489502	0.75
486.9827271	1.01
498.5687866	0.61
499.2354736	1.56
505.2267456	0.05
508.0414429	0.16
510.9908447	3.17
516.3732300	0.07
517.0660400	0.20
522.8220215	0.09
526.0487671	0.27
529.0751953	7.96
534.8897705	0.04
541.0416870	0.12
543.8445435	0.27
553.0040894	1.70
557.7708740	0.17
559.4840698	0.03
569.9193726	2.56
571.0887451	49.20
576.9064941	1.08
579.5422363	0.07
582.7151489	0.13
586.8960571	0.89
588.1673584	4.34
589.0788574	100.00
589.9564819	0.13
601.0159302	0.05
607.0724487	0.27
613.1032715	0.21
625.0755005	0.14
631.0237427	1.75
643.0543823	0.43
653.0358276	0.22
654.9373779	0.23
660.0518188	0.26
661.1839600	10.90
665.5581665	0.05
669.0903931	0.17
671.2244263	0.09
691.0765381	9.83
697.2567749	0.17
705.9497681	0.23
713.9896851	0.22
715.2055054	0.93
733.1052856	5.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	538.3147
Annotation	PS(19:0/0:0)
Peak:m/z	Relative Intensity
188.9974976	0.02
196.0850525	0.03
204.7445679	0.05
207.1789551	0.05
212.9755249	0.05
227.1753540	0.03
239.4651794	0.02
242.1016083	0.05
245.8735657	0.02
253.2872162	2.05
256.2128296	0.01
269.9032593	0.06
273.0470276	0.02
277.2985229	0.02
281.8826294	0.03
287.6756287	0.01
303.0924377	0.07
309.5565796	0.03
317.2183838	0.03
320.0142212	0.04
335.2580566	0.01
343.3081055	0.10
363.2561646	0.03
407.4707031	0.04
431.4299927	0.04
435.5385132	0.06
449.1035156	0.08
451.3072510	0.04
458.7162476	0.08
462.1751709	0.10
475.5587769	0.02
478.3460083	100.00
479.1596069	0.94
480.1006470	0.08
492.2292480	0.11
493.9921875	0.13
495.5783691	0.03
497.5180054	0.02
500.1258545	0.24
502.0618286	0.50
505.3500366	0.02
506.4680786	0.05
516.4497681	0.08
519.2944946	0.16
520.1702881	0.09
538.9504395	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2627
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
81.19641113	0.66
81.80976868	0.89
82.8331604	0.58
84.74841309	0.44
86.86595154	0.13
94.94145203	8.77
96.92112732	2.69
98.97767639	0.39
100.9210587	1.94
106.9928589	0.94
109.056015	4.71
110.9795914	2.29
113.1519775	0.61
115.0642624	2.71
120.9869995	3.93
123.0527649	1.96
128.8157654	0.23
133.0069427	2.18
135.0894012	9.36
136.9295349	3.42
139.0180359	1.89
140.9602356	2.31
142.9266663	0.91
147.0106354	0.87
149.1811829	8.11
151.0545197	4.50
152.9259796	1.69
155.1178589	0.61
162.8555756	2.79
165.0440674	3.52
168.910553	4.56
171.1285095	1.31
175.1590881	0.54
177.1802368	3.69
179.0376282	1.18
181.1932068	2.65
183.4052429	2.19
185.1513672	3.78
187.0630493	0.49
190.8816376	4.16
193.2948608	1.19
195.0267944	3.45
196.9390259	1.82
199.0299072	1.02
200.2494507	1.05
201.3203125	1.13
205.1995239	2.35
207.2029724	0.54
209.2602539	4.29
211.1549072	1.55
213.059021	1.05
219.2965088	0.23
221.2597351	3.99
222.1858826	0.25
223.1554565	0.41
225.1819153	9.78
237.2414551	1.84
239.3168335	1.79
240.0955811	0.98
241.1970825	0.89
241.8778687	0.82
247.1864319	34.77
248.4772034	0.35
249.1763916	0.65
255.2514954	0.58
263.3418274	0.16
264.0360107	0.14
265.2470093	100.00
266.3217773	1.83
267.2309875	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	331.15
Annotation	Anisocoumarin C
Peak:m/z	Relative Intensity
116.0890121	0.08
119.1233673	0.11
126.6974640	0.10
136.8365173	0.71
151.0839386	9.50
167.0570374	0.09
168.9217682	0.11
173.1391296	0.26
175.1243591	0.83
176.7733459	0.30
178.9740601	0.66
180.9840698	0.17
183.0072021	0.14
189.0671082	6.62
194.8710327	0.06
197.2233429	0.40
207.1172638	4.34
209.0488586	0.23
210.3362427	0.65
212.7829895	0.21
214.0798035	0.40
218.1715698	0.14
223.8838806	0.09
225.1862183	0.41
226.4197083	0.09
227.1122131	0.39
228.2329712	0.49
230.8891296	0.41
236.8620605	0.14
249.1154785	1.10
253.0043335	1.06
255.1379395	2.39
255.7628784	0.12
258.9975281	0.27
263.2959595	0.26
267.2214966	1.20
268.1712646	0.84
269.0390625	0.26
270.9739380	0.49
273.0259399	0.18
274.8538818	0.90
276.1380615	0.17
281.2928162	2.24
281.9483032	0.23
282.9823914	0.20
285.0720520	7.71
285.9540100	1.21
287.2286377	36.29
295.2379761	0.71
299.3956909	0.14
301.0313110	1.18
303.2414551	1.06
304.2965698	0.16
313.1902771	100.00
314.0582886	0.25
321.8618164	0.20
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
100.9439392	4.72
113.0050964	14.36
115.0650177	0.94
117.1473389	0.13
119.0011673	8.04
124.9470749	2.69
130.9602509	3.23
131.9608765	0.09
143.0047913	16.94
148.8473206	2.21
159.0721130	1.18
160.9933167	29.75
161.8064423	0.57
171.2102051	0.80
178.9565125	100.00
215.9555054	0.69
219.9556580	0.26
221.2198486	0.10
221.9748840	0.37
228.9920959	0.40
236.7460938	0.07
238.1069336	7.30
238.9340210	0.21
241.1360474	0.42
243.0433044	1.40
249.1400757	0.15
251.1158447	1.51
254.8811035	0.23
256.0490417	1.19
257.2019348	0.20
263.2745361	0.54
267.9572754	0.49
269.1618042	0.17
275.2511597	0.30
279.4868774	0.24
281.0117188	9.57
294.9871216	0.13
298.2093201	1.36
299.3631592	0.56
305.3773193	0.76
320.7683411	0.24
322.4154053	5.75
323.1539001	8.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	472.1584
Annotation	Folinic acid
Peak:m/z	Relative Intensity
151.8094025	0.15
156.8864899	0.21
163.2901917	0.21
193.1764069	0.08
195.2227173	0.06
206.8661957	0.03
212.9681244	0.09
235.2348633	0.10
265.1990356	0.10
266.3834229	0.03
275.4034119	0.08
277.2752075	0.12
281.5631714	0.10
290.2311401	0.06
300.2169189	41.70
301.3688354	0.06
304.0502319	0.09
306.1901550	0.04
310.2108765	0.19
322.2622375	0.13
323.4191895	0.19
333.2875671	0.11
341.0421753	0.05
343.1255493	27.05
344.0357361	0.05
356.3351440	0.11
360.4534912	1.27
363.4116211	0.09
367.3198853	0.40
377.1282654	0.08
382.2891846	0.05
383.8487854	0.16
385.2806091	6.73
386.2349548	2.53
387.5464172	0.05
400.2205505	0.38
404.3471985	100.00
411.2489014	9.32
412.4157410	0.09
425.3943481	0.59
426.0888367	0.19
427.2443848	0.36
428.3346558	2.09
429.2398987	14.98
429.8725891	0.13
434.2271118	0.17
436.1623230	0.24
449.1546936	0.18
454.2165222	22.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	575.1033
Annotation	Myricetin 3-(2'',3'',4''-triacetylxyloside)
Peak:m/z	Relative Intensity
160.8789215	0.07
164.1484985	0.13
167.1212006	0.11
170.3233032	0.13
175.0654602	0.66
175.9838562	0.15
176.9568329	0.14
179.0667419	0.09
187.2448425	0.16
188.2203064	0.05
193.0722961	1.07
193.9838257	0.70
195.0548096	0.76
197.0641022	0.06
202.0953064	0.07
203.2014618	0.44
205.1952362	0.20
213.9871521	0.15
216.2807312	0.30
221.1070099	0.16
225.1007690	0.06
227.0698547	0.51
229.1195679	0.03
229.9518280	0.04
231.0339661	0.15
234.1288452	0.06
235.1983948	0.43
236.1711426	0.27
243.0429993	0.37
245.2014618	2.22
255.1514893	0.35
257.1400757	0.08
258.2083740	0.06
259.0553894	0.09
261.0877686	2.09
262.1079712	1.90
263.0394287	0.43
268.4573364	0.06
269.2618103	0.37
273.0589905	1.14
281.4571533	0.09
285.0773315	6.51
286.1453247	6.13
287.2195435	9.09
289.1479492	19.19
296.1348267	0.06
299.2129822	5.03
303.1776733	6.44
304.1664429	6.66
305.1197510	0.90
305.7915039	0.03
313.2141724	3.82
314.1051025	2.44
315.1351624	0.29
316.1894531	0.28
320.0729370	0.10
324.0199585	0.24
325.3350830	0.11
327.2302856	0.91
328.0785522	1.48
329.1848755	0.53
331.2855835	0.60
333.1443481	0.19
334.2262573	0.74
335.3703613	0.13
337.2682495	0.15
339.2476196	0.32
341.4318848	0.20
345.2352295	0.03
347.6137085	0.28
349.3037720	0.17
354.9088135	0.37
356.1826782	0.14
357.2987061	0.94
358.2213745	0.26
360.0713501	0.32
363.3908081	0.30
369.3251343	0.33
370.1329346	0.40
377.3881226	0.07
381.2548218	1.21
388.0158081	0.78
389.2506104	0.10
395.1146851	0.18
396.1018066	0.22
397.2336426	0.26
398.5269775	0.06
399.2575073	0.35
405.0875244	1.04
406.0885010	1.17
407.2699585	56.64
408.3178711	0.30
409.3901367	0.68
410.3476562	0.19
412.5163574	0.45
413.2537231	0.71
414.1908569	0.06
415.3228760	0.28
416.3150635	0.06
422.1154785	0.21
423.2372437	1.79
425.0708008	100.00
425.7630005	0.46
433.3383789	0.41
435.2399902	0.15
436.0846558	0.27
439.2030640	0.90
440.2321777	2.13
441.1784668	0.43
444.2587280	0.17
446.0505371	0.22
449.2874146	1.02
451.1740723	29.18
452.0533447	0.16
453.2111206	0.41
455.2561035	0.10
456.2179565	0.65
456.8293457	0.12
465.1422119	0.98
466.1134644	2.79
467.2224731	2.33
470.6696167	0.62
471.4983521	0.05
475.6007080	0.05
476.3110962	0.05
481.2354736	0.44
486.5574951	0.25
491.6522217	0.92
493.4176636	0.07
497.0878296	0.11
500.0018921	0.36
501.5399780	0.37
504.4813232	0.06
514.0451660	0.08
515.1820679	1.70
517.3014526	0.17
518.3382568	0.55
530.3143311	0.34
531.2898560	0.53
532.2768555	1.42
533.3430786	1.64
541.1146851	0.75
547.2924194	0.12
548.2754517	0.05
555.3718872	0.09
557.1173706	0.05
558.7420044	1.48
559.3662109	11.74
560.4792480	0.32
567.7865601	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.3025284	0.08
109.0447083	0.87
111.1388168	0.62
119.1212769	0.14
121.0608215	0.93
122.8815613	0.12
125.0010147	0.23
129.1660614	0.18
130.9071045	0.18
132.9325714	0.33
135.0280762	1.11
136.9598083	1.13
139.0363922	0.25
143.0595703	0.65
145.1621704	0.12
146.297699	0.43
147.0865173	1.10
149.2425842	0.42
150.9013367	0.15
154.8086853	0.07
157.1366272	0.96
158.963562	0.58
161.1438904	0.58
163.0223083	0.06
165.4287109	0.20
169.1320648	0.18
171.0737	0.28
173.0261536	1.20
175.0566864	0.77
177.153595	0.38
179.1408997	0.43
181.2621155	0.14
182.8181152	0.14
184.8587646	0.70
187.1254883	1.06
188.7780151	1.34
191.1650238	0.74
192.8348999	0.15
194.9918213	0.29
197.0197144	0.38
198.0516205	0.13
198.9653015	1.00
200.8751526	0.35
202.9715576	0.22
205.0310364	1.04
209.0868835	0.52
210.1467896	0.78
211.1186523	1.10
213.2919312	0.53
215.0498352	0.22
217.2364807	1.68
221.3802185	0.81
223.249115	0.71
227.1564331	0.97
229.3051147	0.48
231.1425171	1.75
235.1986694	0.13
239.1547546	0.72
241.124115	0.15
243.1884155	0.47
245.0865173	1.82
247.3955688	2.76
251.2053833	1.65
252.2540283	1.05
253.2983704	0.65
255.1951904	0.07
257.1087952	0.16
259.2155762	0.37
264.2472839	0.18
265.2471924	0.20
266.0390015	0.08
267.1912537	0.40
269.1633606	0.71
271.0817871	0.12
273.2910767	0.67
279.2745972	0.55
281.3023682	0.72
283.2137756	0.68
287.1665344	0.81
290.7009583	0.12
292.3241577	0.30
294.2210693	0.38
295.1878052	0.66
296.6079712	0.88
297.4122925	0.35
299.2711182	2.33
299.8970642	0.11
305.3237915	1.93
308.9594727	0.30
311.2785339	0.07
313.2861328	2.99
323.2434692	100.00
324.3185425	0.38
325.1625366	0.22
332.1850891	0.23
333.0276489	0.09
340.5621643	1.15
341.2600403	1.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	429.1763
Annotation	Phenethyl rutinoside
Peak:m/z	Relative Intensity
135.0403900	0.08
137.0160828	0.10
141.2163696	0.03
143.0948486	0.09
144.0812225	0.12
144.8470764	0.03
145.9259338	0.13
157.0474548	0.14
161.1726990	0.83
163.1928864	0.19
169.2115173	0.05
179.3339844	0.22
185.0358887	0.16
187.0749969	0.45
189.2523346	0.04
197.1048737	0.06
201.3701782	0.07
204.2138672	0.08
205.1395874	1.03
207.3045044	0.27
211.2489319	0.29
215.1054230	0.09
217.2207947	0.10
219.1188965	0.18
221.3519287	0.04
223.2191772	30.74
225.1842346	0.04
228.2005615	0.05
229.1504211	0.33
231.0804138	0.08
235.3269043	0.26
237.1913757	0.16
247.3085327	0.39
249.2298584	2.47
253.0733643	0.17
259.0050659	0.24
265.2465820	0.41
267.1142578	100.00
271.0586243	0.28
272.2163086	0.11
274.9318237	0.05
277.1762695	0.16
279.1021118	0.06
281.3375244	0.18
289.2720947	0.22
291.1623535	0.83
295.1439209	0.15
295.9950562	0.04
301.2454834	0.16
303.1680908	0.30
304.1495361	0.03
307.2399597	0.16
309.1883850	1.85
311.4531860	0.12
313.5834961	0.18
315.2265930	0.09
321.2477112	0.48
323.1908875	0.93
331.2727356	0.20
333.2723999	0.93
339.1233826	1.20
341.1911926	0.50
345.4366455	0.04
349.4040833	0.04
351.2584839	0.15
354.0716858	0.07
354.8572083	0.04
356.1057129	0.10
359.1205444	0.09
363.0700378	0.08
367.0643616	0.16
369.1341858	4.15
369.7523499	0.01
380.6408997	0.05
383.0629883	3.65
385.3194580	0.36
386.1416626	0.06
386.9673462	0.14
391.5573730	0.03
392.2098083	0.07
393.2277527	0.78
393.9761658	0.06
401.9595032	0.11
405.1135864	0.11
406.1974487	0.08
407.2561951	0.08
411.2391357	1.60
412.9652100	0.02
414.8475952	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1086
Annotation	Lactulose
Peak:m/z	Relative Intensity
97.0986633	0.25
99.1867218	0.45
100.9886780	3.58
106.7532883	1.06
113.0300369	15.36
115.0886078	1.16
118.9563599	10.57
124.9248962	3.03
130.9521637	5.34
141.8395996	0.35
142.9408264	11.99
148.9838867	3.55
160.9767151	16.68
179.0104370	100.00
190.7946472	0.22
220.3175964	0.19
250.7566528	0.22
262.9598999	0.25
280.9628296	0.79
295.3073730	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	470.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
161.2048492	0.16
178.9658661	1.20
251.2300720	0.34
292.9603882	0.10
306.1579895	0.26
307.4496460	0.19
308.2158203	0.64
319.9494324	0.11
341.1579285	100.00
342.1052246	0.17
348.8837585	0.21
366.0584106	0.30
380.4500427	0.21
424.3302002	0.32
425.6375427	0.54
451.9866028	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	426.97
Annotation	Laucapyranoid B
Peak:m/z	Relative Intensity
172.9327393	0.05
175.1364136	0.03
184.0188599	0.08
186.9463959	0.10
208.2708740	0.09
209.5615692	0.05
216.1217041	0.05
217.3079529	0.05
226.2959442	0.10
227.1956787	1.21
228.2179260	0.71
229.2236633	2.85
230.2413635	0.22
257.5750732	0.13
263.7930603	0.11
273.8082275	0.06
299.0888977	0.24
300.0301514	0.10
300.8701782	0.12
303.2003784	0.05
322.8259277	0.33
335.3863220	0.13
339.1819153	0.03
340.0105896	0.18
342.2170715	0.07
343.7604065	0.05
348.6368713	0.15
354.4107666	0.17
355.3937378	0.18
356.2953796	0.04
359.3808594	0.04
364.6721191	0.11
365.5390625	0.26
367.1966858	0.12
368.5035706	0.06
376.5438232	0.05
377.6323547	0.13
378.6854248	0.08
380.3153687	0.20
381.1403503	0.62
383.1460266	0.47
384.2563477	0.12
387.0867310	0.67
390.2238159	0.37
399.2990417	0.05
407.0077820	100.00
408.0667419	2.13
409.2193909	0.83
430.4335327	0.04
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
199.0527649	0.06
228.9917297	0.23
230.0356293	0.05
230.9483337	0.06
273.0166931	7.83
274.0231934	2.65
274.9733276	2.62
386.9819946	12.48
387.9744263	10.97
389.0657349	12.01
500.9446411	36.50
501.9670410	65.28
502.9257202	100.00
515.1122437	0.05
532.7289429	0.02
542.9674072	0.09
557.0386353	0.08
561.1649780	0.01
570.2689209	0.32
571.0365601	0.01
572.7196655	0.44
576.8421631	0.08
585.2468872	0.04
588.9836426	0.17
597.8941040	0.05
598.8790894	0.02
617.0087280	0.04
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
92.84243774	1.10
96.85462952	0.74
118.6848297	1.28
125.12677	0.68
137.0720062	0.85
139.0874634	0.86
143.1067505	0.60
148.3940887	0.60
154.9641571	1.26
170.0468903	3.17
179.0681	0.57
183.0101166	100.00
184.1114502	22.91
185.1600189	6.88
197.0367584	15.33
197.9600372	15.16
199.4189453	3.33
200.2633972	0.60
208.9885559	3.26
209.9759216	0.94
211.3201294	1.73
212.137146	5.34
221.1477966	1.62
223.0632629	0.88
225.2870178	5.63
226.1759338	2.27
227.5845032	2.69
235.1302795	3.45
236.23349	3.62
237.3416443	0.44
239.156189	4.52
240.169342	2.53
243.3122559	1.92
245.2706604	0.50
247.191925	2.25
249.3699341	17.08
253.1143188	4.37
255.4420776	7.20
256.2443237	0.50
261.4841003	1.78
264.9646912	1.02
267.2971497	31.82
268.1777344	0.23
269.161499	2.21
275.3947144	1.14
283.1746216	6.16
291.1699829	2.35
293.3036499	73.97
295.1529846	1.17
310.8015137	4.16
311.4726562	5.18
312.2009888	0.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	483.0777
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
153.2285461	0.03
154.8142853	0.04
167.0323792	0.05
169.0052948	11.16
170.0022430	1.54
175.1443939	0.15
179.1591034	0.03
186.3375549	0.03
190.0699310	0.03
190.9249420	0.04
193.1516571	0.12
196.3359375	0.02
207.1286011	0.11
211.1085205	0.11
212.0022583	0.04
223.0471802	0.12
224.1513977	0.02
227.9868469	0.03
241.1423950	0.24
253.1434937	0.05
256.1178284	0.06
258.1560059	0.04
258.9929810	0.06
271.1081238	0.54
272.1907043	0.12
274.0969543	0.09
275.4217529	0.03
282.3754578	0.04
285.2137756	0.06
288.0087891	0.02
294.9647217	0.05
296.1470947	0.26
301.4365540	0.05
304.2872314	0.04
309.1902771	0.03
313.1575317	100.00
314.1072083	28.62
315.3341675	0.14
319.0281677	0.09
321.1376648	1.09
322.1307068	0.23
327.1814575	0.06
329.8911743	0.03
331.1633911	4.96
332.2224121	1.18
350.9477539	0.10
359.1965637	0.02
387.9486694	0.15
390.1256714	0.07
393.1959229	0.19
393.8445740	0.05
395.2043762	0.09
397.1629944	0.04
406.9480286	0.03
421.8079529	0.09
423.2782288	0.11
424.1705017	0.11
438.0208435	0.37
439.2856140	0.64
440.2915344	0.25
444.4986877	0.04
448.2995911	0.29
450.6407471	0.06
451.6258240	0.05
454.5224915	0.19
461.0849304	0.14
463.0899963	0.06
465.6079712	0.32
466.4192200	0.47
467.1395874	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	401.145
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
112.8698196	0.09
119.1256485	0.05
125.0179596	0.15
128.8985291	0.26
131.0729675	0.06
141.1343384	0.21
143.0697937	1.71
149.1933594	0.11
154.9190826	0.19
158.9502258	1.43
161.0311737	26.13
163.0858459	0.07
166.9785614	0.07
169.5375977	0.11
179.2707825	0.17
180.0217743	0.03
181.9440002	0.03
186.9484863	0.22
191.3199158	0.13
193.2906494	0.09
195.1324921	0.99
196.0689545	1.57
197.2005005	0.25
203.2642822	0.34
219.1515503	0.04
225.2840118	0.07
229.9153442	0.23
233.3601990	0.05
239.3464966	0.08
249.2578430	0.06
251.0823059	0.35
253.2854614	0.34
264.9370422	0.13
269.1386108	100.00
275.2133484	0.03
281.5113831	0.09
284.8433533	0.06
287.0497437	0.07
291.0563354	0.14
293.2756958	0.45
294.2721252	0.07
297.5398560	0.07
301.3891296	0.12
309.3467407	0.08
311.2316895	0.45
315.0498047	0.13
322.3312988	0.15
326.0942383	0.05
339.3465271	0.18
343.2389526	0.21
354.9017334	1.02
355.5936279	0.41
356.4744568	0.12
357.2612305	1.12
358.0620728	0.10
358.9399719	0.10
364.1925354	0.49
365.7930298	0.25
371.4604797	0.12
383.1745911	1.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	762.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
337.5157471	0.07
413.1039429	0.08
421.0661011	0.17
516.2756958	0.46
554.3599243	0.04
555.1664429	0.17
582.7422485	0.15
594.1040649	0.10
607.4187622	0.34
674.1519775	0.17
675.2863159	0.34
677.2144165	0.46
678.3516235	16.72
701.1373901	0.62
709.9046021	0.12
716.2291870	100.00
717.0032349	0.03
718.3838501	0.06
733.0797729	0.13
743.8190308	0.27
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
107.0530701	0.66
109.0095749	0.25
111.1695557	0.12
113.2007294	0.56
122.9010239	0.59
125.0288696	0.81
126.7482605	0.56
135.2333984	0.24
137.0668945	0.26
138.7610626	0.59
141.1081085	0.80
143.0213776	2.08
145.0679932	0.87
148.998291	0.42
150.877594	1.74
152.8464661	1.74
155.1066742	1.02
156.986084	1.10
162.9724884	0.18
165.3667603	0.44
166.9903259	0.96
168.9723816	0.81
171.0101624	1.36
174.768692	0.66
175.9801941	0.15
177.0948486	1.54
177.9081421	0.10
181.1404114	1.78
183.0484161	0.90
184.8464355	0.46
188.0772095	0.23
191.1802368	0.26
192.9574585	1.87
195.0105896	2.54
197.2230225	1.85
202.1618347	0.15
205.1347351	0.97
209.192749	1.80
211.0952759	2.27
213.176239	1.98
215.3843079	0.17
217.0970459	0.83
219.194458	0.20
223.2783813	0.49
224.3327942	0.41
225.1430664	1.28
226.1413269	0.12
227.2548828	0.94
229.1948853	0.18
233.4797668	0.25
235.3268433	0.86
237.1163635	0.27
239.1099243	3.45
247.1170654	1.00
249.2825928	1.01
251.2149963	2.48
252.0499878	0.09
253.1611938	5.77
257.3465576	0.45
265.1810303	2.15
267.2307129	2.34
268.3841248	1.58
269.2698669	2.61
270.0339966	0.29
275.2681274	14.34
277.2890015	0.34
283.2232056	4.29
285.4927673	0.18
293.20401	100.00
294.2080688	0.96
301.6287231	1.05
318.285614	0.65
324.120636	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	295.23
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
90.83596802	0.30
94.92551422	0.77
98.94120789	0.31
106.8874359	0.33
108.930397	0.18
110.9865265	0.13
112.9159775	0.12
117.1091919	0.14
118.8860474	1.03
121.0514145	0.08
130.8785248	0.42
133.0228882	0.69
135.1315613	0.42
136.9352112	1.39
141.0625916	0.26
143.0609436	0.20
145.0197601	0.86
147.0097961	1.17
148.8177795	1.49
150.9358826	1.60
155.1235352	0.18
156.1911926	0.11
157.1027222	0.32
159.2512207	1.10
161.0349121	0.32
163.0213928	0.81
165.0222626	0.67
166.9835815	0.34
168.9222717	1.99
170.8634796	1.31
173.4021759	0.58
177.0934753	0.33
181.1088104	3.72
183.2641296	1.23
185.0562439	0.63
189.167572	0.15
191.2247314	0.10
193.0294495	0.86
194.0021973	0.29
195.1398315	2.87
197.1141968	1.69
198.0606995	0.50
199.1436768	0.87
201.1871033	0.70
203.1063232	0.06
207.0910339	1.25
209.032135	0.77
211.1437378	0.97
214.8926697	0.81
217.070282	2.22
219.3486328	1.16
221.1577759	0.49
222.3539734	0.69
223.3769531	0.25
225.1256714	1.39
226.6038818	0.79
229.1720886	0.31
230.9451599	0.56
233.370575	0.72
235.0358887	2.28
237.0414734	4.94
239.1364441	1.42
241.1420898	3.51
247.2530823	0.38
248.6634216	0.65
249.3105774	1.43
250.1073914	0.61
251.1569214	2.12
253.2474365	2.49
253.9499207	0.45
259.2882996	11.98
263.434021	0.21
264.4520264	0.31
267.2821045	3.69
275.1576538	0.21
277.212677	100.00
279.3334351	0.14
284.9418335	0.16
285.8481445	1.17
294.9691162	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
103.0771484	0.06
109.0327759	0.78
121.0053406	0.60
123.0915298	2.24
125.0691986	0.07
127.0194702	0.24
132.9601593	0.70
135.1655884	2.51
136.7437744	0.46
139.2134094	0.81
140.6045837	0.83
142.9160919	0.42
144.9139404	0.17
146.9021912	1.33
148.8631287	1.18
152.9756165	0.21
155.1567993	0.16
157.1202698	1.29
157.7763672	0.06
159.0653992	0.22
161.0865173	1.03
163.0435181	0.26
165.1838379	0.11
167.0037231	0.60
168.9789429	1.31
171.0607452	0.52
172.9493256	0.86
175.0679932	1.12
176.9257965	0.46
179.0613403	0.64
181.0423126	0.18
182.9415283	0.37
187.1506348	1.04
189.1135254	0.14
195.0480042	0.16
197.1443634	0.74
198.1045685	0.28
198.9818115	0.38
203.1734619	0.38
203.9973755	0.06
205.4820251	0.86
209.04953	0.36
210.9615479	2.80
217.4723816	0.17
219.1568298	0.30
223.2033997	1.01
224.9218445	0.21
226.1939697	0.05
226.9056702	0.52
229.108429	0.37
231.0378723	1.37
233.4549255	0.18
236.7834473	0.05
238.9862976	0.28
241.3479004	0.31
243.2514648	0.27
243.908905	0.51
245.1625061	0.97
247.3256226	4.78
251.1929321	4.69
253.317627	0.73
255.2240906	0.40
257.0825195	0.37
258.5869751	0.14
259.1967773	0.74
269.0005493	1.03
271.1146545	1.04
272.982605	0.20
279.6448364	0.87
281.1455994	0.73
283.0541382	0.58
285.2227478	1.14
287.4040527	0.31
291.2903748	0.56
292.0808411	0.22
295.2425537	0.98
296.0396729	0.57
299.0623169	0.95
299.7802429	0.75
305.291626	5.37
307.4998169	0.12
311.1644592	0.29
313.1334839	0.69
321.1330566	0.25
323.2358398	100.00
324.0459595	1.76
324.8588257	0.32
326.1796875	0.48
332.4613037	1.21
340.7043457	1.35
341.4117126	1.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2499
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.9505386	0.48
108.949379	0.40
111.0072479	0.10
118.8665619	0.12
121.0884018	2.61
123.1562653	0.10
125.2168045	0.26
128.9810486	0.08
130.9603729	0.40
132.9501953	0.61
134.9462128	3.17
137.305542	0.38
143.059021	1.64
144.9524384	0.10
147.0431824	0.39
149.1167297	0.91
151.2110901	0.86
154.8212585	0.21
157.1058655	0.84
159.1313171	0.65
161.0667419	0.42
163.108551	0.71
164.9889832	0.62
166.8225861	0.30
169.0158691	1.30
170.9205322	0.32
173.0944672	1.45
174.9687805	0.38
177.3352966	0.07
178.9617767	0.26
181.1703186	0.12
183.183136	0.42
184.1940613	0.06
185.1141052	0.06
187.0814362	1.52
189.1899719	0.25
190.9265442	0.13
193.0914917	0.31
197.0111847	0.36
200.2311859	0.14
200.9734192	0.07
203.203064	0.99
205.2439575	1.04
206.809433	0.10
209.263855	0.44
210.932312	1.82
213.0616455	0.29
214.5271301	0.15
215.2212524	0.25
217.1349792	0.36
219.1414185	0.07
223.1061401	0.65
224.0866394	0.34
225.3846436	0.55
227.1127319	0.22
228.9877014	0.61
231.0599976	4.44
232.9269714	0.04
235.238739	0.39
237.0580139	0.09
239.1674805	0.19
241.2924805	0.48
243.0847168	0.57
245.1444092	1.53
247.2645874	6.59
249.2483521	0.08
251.2530823	0.18
253.3678894	0.09
255.2147217	0.20
256.5819092	0.03
257.3795776	0.10
259.1082764	1.39
262.2780762	0.12
263.2155151	0.07
267.322998	0.82
269.2727051	0.37
271.3400269	0.66
273.0106506	0.08
273.7532349	0.05
277.3260803	0.45
278.9385986	0.12
279.6001282	0.08
281.1584473	0.40
283.1638794	0.26
285.2705994	0.12
287.4289246	0.84
293.949585	0.06
295.3808289	0.38
296.3604126	0.15
297.2350464	0.41
299.1954651	1.78
300.7745972	0.12
305.3429565	1.97
307.3897095	0.20
312.1817017	0.53
313.3853455	1.66
314.1235962	0.08
321.3996582	0.06
323.2319946	100.00
323.8568726	0.90
324.5003662	0.16
325.437439	0.04
331.8583374	0.27
341.2298279	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.224
Annotation	Unknow
Peak:m/z	Relative Intensity
189.3237457	0.07
190.3536835	0.13
222.9484558	0.06
225.2371674	0.11
267.2302246	0.11
283.1629028	0.05
285.4964905	0.09
287.3630371	0.33
291.2192383	0.13
297.1002197	0.24
301.2996216	0.33
303.1473389	0.11
312.9270630	0.06
319.1735840	0.17
321.1485596	0.11
329.1743774	0.81
331.2929688	5.57
339.5293579	0.08
347.1119995	1.18
347.7174072	0.17
357.0209961	1.14
366.2796631	0.09
384.9860840	0.12
389.1514282	0.23
392.5217896	0.40
402.1771851	0.13
405.1379395	0.48
412.1390381	0.11
413.1002197	0.21
414.9854736	0.15
415.6340942	0.25
419.1660156	0.65
422.9820557	0.14
424.9943237	0.47
435.1502075	0.09
441.2087402	0.16
442.4458008	0.11
447.3393555	0.16
448.6916504	0.56
451.2081299	0.16
454.1415405	0.05
461.3975830	0.08
463.2158203	100.00
463.8515625	0.42
465.4841919	0.49
473.3049927	0.24
478.1284790	0.68
488.6578979	0.13
491.3057251	1.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
107.9531631	0.20
108.9952927	7.71
113.1027679	0.11
122.9711838	0.41
124.9519501	0.09
136.8659821	0.14
142.8728333	0.12
151.0161743	0.13
153.0115509	100.00
167.1487885	1.83
169.1794586	0.04
169.8121033	0.03
171.2295685	0.19
172.2058563	0.08
177.1438751	1.41
195.0671234	25.10
205.0809937	0.31
206.9506226	0.06
211.013916	0.12
214.2698669	0.07
217.3675842	0.08
223.169281	0.08
225.1196289	1.99
225.8197327	0.09
237.0022888	0.19
252.3064575	0.30
253.4032593	0.13
255.0578613	37.16
269.1707153	0.35
270.0489502	0.03
271.0979614	0.79
279.1065979	0.33
281.243103	0.05
285.3899536	0.06
296.9753418	1.46
300.0360718	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	285.22
Annotation	Vitexifolin C
Peak:m/z	Relative Intensity
84.89902496	0.61
95.00393677	0.38
96.85254669	0.27
100.9204712	0.43
103.3079758	0.34
104.1589508	0.10
104.7859726	0.07
109.0600204	0.28
110.8824463	0.67
114.8289108	0.48
117.1139679	0.28
119.1920395	0.07
121.0775299	0.22
124.8400879	0.66
127.1313858	0.36
128.9966736	5.31
130.9810181	0.37
132.7532043	0.64
135.1045227	0.08
137.1118774	0.32
139.1468048	0.30
141.2852478	0.34
142.9651794	2.60
145.2597351	0.18
146.9521179	0.68
150.9541931	0.16
153.3615875	0.16
154.4122314	0.17
155.0140381	1.11
156.9687347	3.48
160.1358032	0.29
161.1988831	0.90
162.7795258	0.14
165.3523712	0.18
166.0679321	0.19
167.1112061	0.72
169.0381775	1.41
171.0169067	5.64
172.8800049	0.71
175.2107239	0.20
179.0750732	0.93
181.0562744	0.21
182.9876099	1.06
184.9598694	1.89
187.0587158	0.21
189.1578674	0.45
193.2040405	0.54
197.1098328	0.80
198.4789734	0.56
199.1568909	0.37
202.9514465	0.17
205.2806091	0.17
207.1917725	4.75
210.1543884	0.17
211.1755066	1.58
222.0233765	0.65
223.0614929	0.67
225.0916748	1.81
237.1113892	0.57
239.1380005	3.46
243.1206055	1.21
244.1373901	0.53
248.2685547	0.44
249.1634521	2.70
251.0365601	0.41
253.1455688	0.21
254.9958191	0.34
257.1460571	2.11
265.5721436	0.91
267.21521	100.00
268.1640015	0.81
271.3339233	0.14
285.0302124	1.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	313.0928
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
100.8888321	0.69
106.0448227	0.10
107.0258942	3.15
112.9330292	0.20
119.0559387	0.30
129.0328064	0.27
143.0007935	0.39
151.0228577	100.00
157.0777588	1.20
158.7494812	0.45
160.9929504	6.65
163.1271362	0.06
165.1361847	0.20
169.0087128	0.74
171.0348053	0.10
172.8800659	0.48
175.0203247	1.59
191.1991425	0.91
193.1741943	2.27
203.8825073	0.11
205.1047668	0.78
210.8717957	0.15
216.8356628	0.49
220.5372925	0.19
221.1410217	0.75
222.8602905	1.19
225.0242615	0.09
231.0614014	0.15
233.2495117	0.20
234.9067078	0.13
239.2017517	0.12
240.0863342	0.33
241.8675232	0.37
244.9105530	0.25
251.0462952	0.13
253.0477295	2.32
254.7943726	0.17
267.0672302	1.83
268.2760315	0.64
269.1990967	1.38
272.3554077	0.38
277.3063965	0.14
284.9841309	0.38
294.7127075	1.16
295.3181152	1.01
297.1493225	0.13
299.3032837	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.056
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
58.9036789	3.18
60.8665314	2.84
68.9129486	0.32
70.8358841	7.94
73.0212402	0.91
80.9225922	1.25
82.8715134	2.19
84.9800949	87.91
86.9111328	13.05
92.9660034	60.35
95.9437866	0.36
99.0142364	3.20
108.3186340	1.31
109.0242767	18.19
110.9769135	38.94
113.0538483	0.33
114.8401794	1.86
126.9465332	85.44
128.9139404	1.33
131.1750793	0.75
136.9794922	1.04
143.0853729	3.14
144.8312225	2.38
146.9768219	2.38
153.0191803	4.14
155.0067596	9.62
170.9014130	23.77
173.0692902	100.00
191.0266113	0.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	605.067
Annotation	Unknow
Peak:m/z	Relative Intensity
300.1947632	0.09
321.2227783	0.13
337.1548462	0.09
338.4281616	0.06
355.2463379	0.21
371.0905762	0.08
390.4505005	0.18
398.8636475	0.11
425.4869995	0.11
429.1863403	0.27
433.9257202	0.03
436.2719116	0.10
453.1754150	9.91
454.0046387	0.01
455.0798340	0.22
457.0485840	0.07
469.1677246	5.02
469.7916260	0.15
479.3977661	0.16
486.8278198	0.28
492.2279663	0.18
499.3391724	0.04
505.9322510	0.22
525.0267944	0.28
529.1128540	100.00
529.7607422	13.42
539.0227661	0.06
545.0796509	10.92
545.7652588	0.68
550.7326050	0.05
558.8713379	0.39
559.5576172	0.05
560.7510376	0.19
563.4613037	0.03
569.1272583	0.40
570.4894409	0.10
573.2667847	0.09
574.2319336	0.43
587.3261108	0.59
588.4967651	0.05
906.9397583	0.18
909.3305054	0.09
1081.0947270	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2626
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
81.0849762	1.32
82.85701752	1.36
85.01877594	0.27
88.75842285	0.11
92.79777527	1.79
94.97940063	4.34
96.89791107	1.72
98.87547302	1.08
100.9842987	1.02
106.9382629	2.67
109.0695343	3.34
110.7913742	1.80
112.2444763	0.26
113.1121063	0.42
114.9417343	2.92
121.1065369	2.84
122.9521561	3.51
124.969986	1.54
127.0821838	0.51
129.1618195	0.92
132.9408264	1.62
135.0384216	6.63
137.0591125	3.47
139.234314	0.66
142.9150543	2.10
147.1568909	0.14
149.0686646	4.01
151.0118256	2.63
153.0757904	1.89
154.9611969	0.53
157.0992889	0.94
159.2097168	0.15
161.4009705	0.39
163.2038422	8.67
165.0187836	3.07
167.0220795	0.71
169.0393677	3.08
169.8795776	0.43
171.2395477	0.22
172.8872375	0.92
176.9679108	7.55
179.3529663	0.41
181.2243195	1.37
183.1004944	1.41
185.0443115	2.22
191.1174011	4.54
192.8939972	0.26
195.1407776	0.84
197.2187195	0.70
199.1635132	2.00
205.2992554	0.80
207.1144409	1.08
209.1674805	2.67
211.1489868	0.36
213.0729675	3.25
220.9691467	0.97
223.2395935	0.82
225.081543	10.16
227.0527039	0.09
236.9779663	2.09
238.6251221	1.88
239.3273926	4.11
241.2253418	1.22
245.3114014	1.41
247.2604675	50.79
254.817749	0.26
255.4871216	1.60
265.2427368	100.00
266.1861267	0.40
274.1526489	0.32
283.389679	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	619.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
175.0770874	0.07
191.0795746	6.33
199.0912781	0.12
205.0484924	0.10
207.1798096	0.83
209.1953430	1.64
213.0930176	4.82
214.9285278	0.07
217.0862732	0.73
219.2029114	0.57
220.9681549	0.55
228.7460022	0.19
233.0673218	3.95
235.0330200	0.25
236.9597473	53.16
243.0411682	1.39
253.0728149	0.15
255.1688843	0.12
261.1552734	18.17
275.3286438	0.11
277.4761963	0.31
279.0573730	28.16
297.0240173	6.65
305.0491333	9.94
315.1360474	0.91
319.0993042	1.61
322.7316284	0.85
336.0765381	0.09
354.1652222	0.24
364.8669434	0.15
383.7394409	0.27
386.8358765	0.20
388.9875488	0.93
390.0920410	0.14
396.3013306	0.10
407.3933716	0.22
412.9853516	0.82
420.9979248	0.19
424.2036133	0.19
431.0836792	8.09
438.6895142	0.61
446.2880859	0.35
447.7977905	0.67
449.1666870	100.00
456.4266357	2.03
457.0529175	14.17
467.1610107	4.04
471.3001709	0.22
473.5160522	0.11
475.0231934	1.94
497.4407959	0.07
504.2319336	0.48
510.7633057	0.26
512.3086548	0.32
521.0634766	0.27
528.9638062	0.14
541.2171021	0.55
554.1787720	0.09
561.2831421	0.09
573.3360596	0.41
574.2378540	0.18
583.0773315	1.89
583.9279785	0.19
591.3418579	0.53
598.3848877	0.14
600.4091187	1.71
601.1281128	12.13
606.7725220	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	283.07
Annotation	Oxoformycin
Peak:m/z	Relative Intensity
84.9557037	0.62
86.9999237	0.07
88.9649811	2.09
96.8239593	0.92
98.9649429	0.50
100.9106750	7.45
102.9795914	0.56
104.9633942	0.23
109.0307846	0.12
111.0396881	0.17
112.9760132	4.49
114.9079590	0.49
118.8152466	1.34
122.9358749	0.17
125.0818329	3.07
126.8987122	0.93
129.0558777	0.37
130.9847107	5.05
132.9220581	10.72
136.8679199	0.06
138.9255981	2.84
141.2062378	0.16
142.9870911	5.88
144.9207458	2.30
147.0979309	1.13
148.9694519	2.65
155.0480194	4.29
156.9591827	0.78
159.0429230	0.41
160.9635315	1.23
162.9710083	48.11
167.1054382	0.97
169.0218811	0.13
172.9834900	8.89
174.0191193	0.11
174.9895477	3.85
176.9130554	0.28
178.8953552	4.34
184.9518280	2.35
187.2288666	0.20
191.0208435	2.73
193.0890808	100.00
201.9805298	0.09
203.0691223	1.55
205.0158997	2.55
208.8490295	0.81
217.0824585	0.08
220.9826660	0.28
223.0812683	12.34
228.9337158	0.47
234.9901733	0.99
236.9291077	0.13
237.9226685	0.12
238.9485779	1.50
246.4815063	0.12
247.0928345	5.08
253.1118469	4.33
265.0506592	15.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	517.2288
Annotation	Cinnamoside
Peak:m/z	Relative Intensity
149.0664673	0.20
150.1698303	0.13
150.9866486	0.06
153.0725861	0.28
154.0972290	0.14
154.9106598	0.09
159.0196075	0.16
160.9421082	0.77
162.1439362	0.07
163.0316010	0.11
164.3744049	0.07
167.1107025	0.19
169.0221558	0.02
172.9763489	0.14
178.9629211	0.21
180.2119598	0.04
183.4507446	0.03
187.2772980	0.04
188.1516724	0.08
189.2496643	0.14
190.8991699	2.48
192.0667877	0.22
198.0486755	0.05
205.2038574	5.28
206.0936279	4.33
207.2136078	0.54
208.5004578	0.03
221.0485992	0.19
222.9326477	0.70
224.1475830	0.62
225.2897339	0.82
226.3226929	0.02
233.4229431	0.16
234.1888885	0.14
239.0501099	0.06
241.0888214	0.02
250.8361206	0.23
251.7588348	0.04
252.9609375	0.08
254.1354370	0.08
259.1993408	0.11
264.7300415	0.02
280.8267822	0.02
288.7671204	0.17
293.3002319	0.69
294.2402344	0.64
295.3010559	0.03
306.2259521	0.08
311.1514282	0.21
326.5019531	0.05
333.2772827	0.08
335.0892334	0.02
338.2760010	0.12
345.5829468	0.05
347.1298218	0.04
356.2044067	0.11
357.3427124	0.06
365.1405029	0.09
369.1755371	0.11
371.2380981	0.13
381.2703857	0.08
385.3360596	2.84
386.3854980	10.92
387.2687988	100.00
391.1961060	0.03
393.2092285	0.06
397.9592285	0.04
401.2460938	0.01
414.3739624	0.05
423.7041016	0.04
429.0684814	0.26
431.4798584	0.07
433.2601929	0.04
437.0747070	0.08
441.2991943	0.09
446.3676758	0.04
447.1490479	0.03
457.0858765	0.07
459.2073975	0.10
470.2670288	0.03
472.4912720	0.12
473.2448730	0.83
475.3808594	0.45
489.5652466	0.09
497.5249634	0.23
500.1758423	0.21
501.2236938	1.03
504.1012573	0.20
519.2766724	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	671.54
Annotation	(3S,14R)-Petrocortyne G
Peak:m/z	Relative Intensity
247.2853241	0.73
259.2043152	0.57
265.1177673	7.21
300.8569031	4.56
333.8327637	2.66
338.5427856	1.18
341.4036865	4.38
343.3531494	4.92
400.2734985	1.55
401.2133789	0.62
405.4960327	3.24
407.0614624	1.36
415.2647705	6.70
419.3081055	15.76
446.0515137	2.09
461.3548584	0.52
463.1407471	5.62
469.4846802	1.06
503.37854	1.38
509.0631104	2.35
516.0879517	2.54
549.6619263	2.46
565.0095215	0.96
566.4377441	3.40
567.3883667	34.98
568.4191284	2.52
581.3458862	0.86
585.8998413	2.83
595.2345581	0.88
625.6824341	4.40
626.3569946	0.52
635.2511597	13.74
636.8774414	1.25
641.6239014	0.91
653.5368652	100.00
654.3413696	0.50
662.1569214	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	383.1347
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
119.1160736	0.20
129.0637512	0.06
137.0928345	0.08
138.1632843	0.05
151.0728760	0.06
161.1575928	0.03
162.9761047	0.21
163.9949646	24.99
177.1490784	0.27
179.0308380	100.00
185.0029297	0.02
215.9820251	0.11
219.2642212	0.34
221.0275421	0.25
234.9679565	0.32
241.1329651	0.10
245.1728516	0.19
259.1948242	0.02
262.2513123	0.04
265.2054749	0.04
267.2786560	0.10
269.5181580	0.09
271.5200500	0.11
276.0988464	0.05
281.4975586	0.10
287.1972656	0.37
293.1888428	0.39
296.2648315	0.08
302.8904419	0.06
306.9992065	0.34
321.7672729	0.19
323.1552734	3.42
324.3970337	0.05
325.1774292	0.07
326.2279663	0.16
329.3555298	0.09
337.2384338	0.77
338.4307251	0.18
339.4016724	1.05
340.6043091	0.41
341.2602539	6.29
347.5289307	0.05
353.4821167	0.05
354.3028564	0.04
363.1315918	0.06
365.2644653	0.54
368.2260437	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.0476
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
164.0039520	0.01
192.8939667	0.08
211.0610199	2.73
241.0891113	0.72
261.1220703	0.02
280.0661621	0.78
303.3161621	0.01
305.1348267	0.22
321.0539551	0.38
323.1527100	100.00
339.0368042	0.04
385.0670166	2.08
403.1575928	2.99
453.0634155	0.01
467.1550293	0.36
480.8160400	0.07
520.1239624	0.02
547.0487671	0.63
565.2720337	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	422.201
Annotation	Unknow
Peak:m/z	Relative Intensity
131.1137390	0.08
143.0795135	0.10
145.2685394	0.15
150.2550354	0.69
150.9479980	1.23
153.0961914	0.25
159.0164795	0.07
161.0595703	0.22
174.0519867	0.09
176.1164856	0.39
179.1684875	0.43
186.9534302	0.19
198.2218628	0.12
203.1765137	0.26
206.9738007	16.71
213.2111816	0.16
216.0447083	0.15
225.0253448	31.32
228.9054871	0.65
230.8542175	0.49
242.8376770	100.00
243.5102844	0.16
245.1757812	0.70
255.9263611	0.13
257.1752014	0.55
260.0797424	2.15
261.0302124	0.27
264.1593628	0.27
271.1415100	0.23
277.6221313	0.32
280.8860474	0.92
288.2668152	0.51
291.2959595	0.26
298.4152832	0.22
299.3079529	0.06
301.2340698	0.41
307.3729858	0.30
309.3768921	0.29
313.3691711	0.16
319.3687439	0.53
341.4403992	0.38
342.1562500	0.26
347.2940063	0.19
347.9979248	0.42
357.7365723	0.57
359.2660217	0.14
361.8410034	0.07
371.5941772	0.19
375.5516357	0.09
376.7910156	2.25
379.3777771	0.15
381.2279358	0.07
386.0036621	0.49
387.1363220	2.87
389.1487122	0.35
390.8647156	0.19
393.2863770	0.10
396.2425537	0.10
403.3176880	1.55
404.3335876	6.90
405.0928650	4.56
434.2210083	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	837.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
295.0099792	0.08
337.1207886	0.01
433.2833862	0.04
475.4450684	0.10
517.4202881	0.07
539.1278687	0.03
571.7676392	0.17
599.2975464	0.03
609.3113403	0.03
640.8262329	0.03
643.2457886	0.13
649.0923462	0.08
661.4945679	0.04
665.6016846	0.09
675.7368164	0.05
685.3267822	0.02
693.4037476	0.09
701.2839355	0.09
715.4084473	0.04
719.2603149	0.08
725.9513550	0.06
730.9922485	0.04
733.3300171	0.01
743.7112427	0.03
750.5194702	0.03
751.7918091	0.22
756.0664673	0.32
759.3640747	0.04
761.4493408	2.11
764.1683350	0.03
776.5728760	0.01
777.5512085	0.17
787.2513428	0.34
793.4390869	0.16
800.0242310	0.05
805.3746948	100.00
806.0122681	0.39
806.9584351	0.05
807.5800171	0.22
814.1723022	0.10
815.2606812	0.19
817.4363403	0.11
819.4271240	0.87
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
92.85435486	0.11
100.8964996	0.22
104.9684601	0.29
110.9870224	0.81
121.0458374	0.26
127.0746765	0.97
128.9946594	0.97
138.9539948	0.62
142.9812317	0.94
151.0413055	0.42
153.0686035	0.82
155.0870056	0.74
157.1262512	0.58
159.3776093	0.79
163.0249023	0.92
165.0276794	0.50
167.218811	0.55
167.9313049	0.12
169.1038818	1.28
171.259552	0.64
175.0270844	0.35
177.3150024	1.29
179.369278	0.16
182.9051361	0.49
187.0725098	0.58
189.1065826	0.54
190.7953339	0.69
194.2182159	0.53
195.2234497	1.44
197.0541992	3.50
198.3870239	0.19
199.4195099	0.64
201.3110657	0.29
205.0775452	0.20
207.2976379	0.38
208.9851074	1.13
211.1452026	4.08
211.9321594	0.51
213.0092163	2.80
215.1448669	0.46
219.1536255	0.98
221.2167358	0.42
222.2828979	0.55
223.2006836	0.82
225.1996765	4.75
227.1038818	1.93
229.2778015	0.88
233.0361633	0.98
235.2255554	1.76
237.1896057	1.49
238.2797852	0.73
239.0586853	3.03
240.3112183	0.41
241.1878052	0.31
243.3748169	0.35
247.3116455	0.20
249.2806091	0.23
251.1795044	3.00
253.1752014	8.65
254.1102295	0.25
257.4188843	0.14
265.2008667	1.72
266.3677673	1.53
267.369812	1.99
268.4447632	0.47
269.4327698	0.48
270.1498108	0.64
275.1974792	14.40
275.9177856	0.72
280.2940674	0.38
283.1825256	2.64
285.3521118	0.25
291.1273804	0.20
293.2182007	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	432.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9561081	2.30
144.7646790	7.73
148.1404724	0.18
162.8413239	6.47
180.7854767	0.65
222.7327576	0.29
229.2256927	0.58
234.1318665	0.69
241.2653503	0.46
247.2113037	1.22
251.3621826	4.84
251.9920654	37.03
253.1125183	0.25
258.1806641	2.84
258.8762817	9.17
269.9219055	100.00
270.9966431	3.08
276.9688110	4.91
288.9295044	36.53
305.4310913	0.43
306.8609314	10.87
321.1276855	0.17
324.8313904	66.70
325.4580383	1.52
340.8087158	0.27
342.7797852	16.28
343.3854065	1.75
414.1409607	13.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.18
Annotation	Tanzawaic acid E
Peak:m/z	Relative Intensity
92.29566956	0.21
92.90685272	0.07
121.2098618	0.05
123.0724335	0.07
147.1602936	0.12
161.1171875	0.18
176.9028625	0.20
182.8777161	0.04
200.9703979	0.06
202.1346741	0.07
202.8344116	0.07
205.072998	0.35
206.0435791	0.28
209.4009705	0.15
211.214447	0.07
213.191803	0.04
214.980011	0.05
217.3209839	0.11
227.1064453	0.06
242.0584106	0.09
244.7531433	0.43
245.4736023	0.27
247.223999	0.39
251.5147705	0.04
252.9423523	0.24
257.1352539	0.05
261.1563721	0.74
261.8230896	0.04
262.4841309	0.10
269.1641846	0.10
271.1627197	100.00
271.7819519	0.28
273.2350159	2.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	632.73
Annotation	Unknow
Peak:m/z	Relative Intensity
212.7667542	0.44
296.7424316	5.10
297.3432617	0.02
302.8433228	0.11
333.1003418	0.25
334.2200928	0.18
374.6296387	0.16
378.3939819	0.16
380.6594849	26.07
386.8863525	2.47
404.4325562	0.05
412.7962036	0.34
424.9555664	0.52
428.9772949	0.22
435.0789185	0.03
441.2708740	0.05
442.9326172	0.32
452.4110107	0.09
456.8594360	0.26
458.6315308	0.06
464.5260010	51.06
465.4182129	0.02
466.7119141	4.96
470.7012939	11.60
471.3387451	0.08
484.9169922	0.67
488.8159180	0.51
496.6819458	6.36
500.7380981	0.03
508.3889160	0.59
512.7199097	3.56
517.4467163	0.06
522.5110474	0.12
525.2335205	0.23
526.6346436	6.46
533.6359863	0.05
538.7451782	0.81
540.3728638	0.03
542.7166138	1.69
546.0181885	0.59
547.8246460	8.08
548.5529175	100.00
549.4546509	0.12
550.5289917	0.29
556.3499146	4.28
557.2050781	0.11
560.5874634	0.18
566.2075806	0.09
567.0630493	0.09
568.6337280	4.22
572.6746216	8.84
584.5091553	0.08
586.5380249	7.34
587.1897583	0.23
602.7131958	0.36
614.3516235	0.15
615.0844727	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	458.77
Annotation	Unknow
Peak:m/z	Relative Intensity
206.8794556	8.10
212.9519348	0.10
254.8796997	0.11
290.7421265	100.00
296.8595886	0.20
334.8158569	0.12
338.7437439	0.33
347.8900146	0.02
352.5673828	0.09
368.6333008	0.13
374.6457825	33.56
375.4303284	0.09
383.0236206	0.05
398.8284607	5.69
412.7740784	0.40
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
199.0251923	0.07
272.9432373	7.30
284.9290161	0.09
387.0365601	17.25
454.9722900	0.13
498.4370728	0.09
499.2796021	0.60
500.8894653	100.00
501.5715332	0.28
513.3078003	0.18
558.7893677	0.07
566.3860474	0.25
568.0399780	0.23
569.0053101	0.23
582.0361938	0.10
583.0921021	0.09
586.9256592	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.0672
Annotation	Quercetin 7-glucuronide
Peak:m/z	Relative Intensity
139.1171265	0.04
151.1732025	0.02
155.0814514	0.09
160.9219666	0.05
167.0256348	4.01
167.8488464	0.15
169.0328369	8.12
173.1070099	0.20
175.1619873	0.05
178.9979553	0.11
187.2107239	0.04
190.9242859	0.07
192.9638672	0.03
201.0183105	1.00
217.1436920	0.09
217.9842072	0.05
219.2900696	0.56
224.2320862	0.18
227.1130066	0.20
235.0096436	0.15
237.2773743	0.24
245.0015869	1.44
249.3198547	0.13
253.2178345	0.04
254.2554321	0.22
263.1280823	0.52
269.1797180	0.17
271.2435913	0.18
279.1656799	0.44
281.0686951	0.52
284.2950439	0.08
285.2963867	0.37
289.0982666	4.41
291.3461304	0.17
292.3549805	0.03
297.1694336	0.12
301.4208984	0.03
307.1490479	4.23
314.0978394	0.10
315.1552124	0.22
317.2339783	0.46
320.9603882	0.06
325.0843506	100.00
329.3598938	0.07
331.0483398	0.03
332.9611206	0.05
338.0216064	0.06
339.1679382	0.33
341.1637573	0.07
344.3058777	0.08
345.2840576	0.03
347.5393066	0.04
353.3774414	0.34
354.0294189	0.05
355.5515747	0.04
356.2563477	0.05
357.0867920	0.04
377.3006287	0.04
381.3474426	0.23
385.3210144	0.03
386.2247620	0.09
387.2487488	0.37
389.4391174	0.07
390.3370361	0.20
391.0269470	0.05
392.6787415	0.09
396.7601318	0.10
401.0509949	0.18
404.3213196	0.29
408.6171570	0.03
410.3598938	0.03
414.3078308	0.03
415.4170837	0.16
417.1566467	0.11
420.9067383	0.20
430.6582642	1.61
431.3594360	2.11
432.3763733	0.08
433.2819214	0.60
435.1748962	0.08
441.1708069	0.80
445.2252502	0.20
446.1173401	0.20
448.2528381	0.09
454.5404358	0.93
457.4859314	0.09
459.1285400	1.25
465.2279663	0.15
467.8871155	0.33
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
197.0651093	0.12
211.0649109	0.37
212.9118958	0.67
261.9764099	0.06
296.8272095	12.98
303.0885925	0.25
323.1207886	10.16
324.4423828	0.06
362.8610840	0.20
374.5404663	0.19
380.6183472	62.80
381.3452759	0.34
386.6549683	1.02
387.6705933	0.08
403.1315918	0.02
405.0118408	0.09
421.2429199	0.10
428.6253662	0.51
433.0709229	0.05
442.7471313	0.59
458.9088135	0.14
461.9631348	1.01
464.4995728	100.00
465.2750244	0.65
473.0075684	0.04
484.8953247	0.31
488.4791260	1.33
489.1421509	0.15
502.2738647	0.17
502.9296875	0.14
519.0077515	0.06
531.1586304	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	483.0778
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
157.1734009	0.12
165.0339661	0.07
166.6220245	0.08
168.9337311	6.73
174.0789948	0.07
178.9282990	0.06
193.1007690	2.28
204.9844055	0.08
208.3421021	0.03
211.0949554	8.30
212.0177917	0.30
214.1383057	0.04
219.1344910	0.05
235.0818481	0.05
241.0896759	2.19
243.8100281	0.07
271.1173096	100.00
272.1469421	1.22
281.4020386	0.08
285.1298828	0.08
287.8623657	0.04
293.3630066	0.07
294.9397888	0.10
300.9560547	0.04
313.1065063	23.38
313.9188843	0.29
319.3330688	0.88
321.1615295	0.17
331.1363220	44.75
332.3385925	0.49
337.5021973	0.04
339.1568604	0.21
343.1087646	0.20
344.3727417	0.03
348.6072388	0.05
351.3531494	0.16
387.1072388	0.23
393.2687378	0.84
400.5261536	0.15
405.2252808	0.04
421.2815857	0.09
423.2156677	2.44
436.9982300	0.48
439.2898560	0.41
443.5558167	0.04
444.3618469	0.07
445.4351807	0.03
446.4452820	0.20
447.2355652	0.23
448.3392029	0.07
451.2086792	0.25
462.8967896	0.06
465.0981140	2.18
483.2284851	0.05
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
157.1010742	0.08
158.9769592	4.21
160.0317078	0.39
161.0000763	0.44
170.7351990	0.11
199.2224426	0.27
200.1098633	0.30
201.0442810	0.07
216.8872528	0.37
228.9496613	0.40
230.9632874	0.44
241.4396515	0.05
245.2544556	0.05
263.2173767	0.03
272.9958801	48.10
274.0148926	26.14
274.9696350	33.14
302.9973755	0.05
341.1047363	0.09
343.8323669	0.06
361.3885498	0.16
372.9631653	0.19
385.1300354	0.07
387.0072937	54.88
388.0241394	82.97
388.9535828	100.00
389.7651062	0.07
410.3366394	0.28
413.1474304	0.81
415.2011108	0.04
417.0575867	0.21
417.9949341	0.05
428.3214417	0.49
429.0803833	0.65
430.0335083	0.08
446.3183899	0.22
446.9918518	0.12
448.2418518	0.08
456.0175476	0.40
457.1684265	1.32
458.0713806	0.71
459.0488281	0.36
460.0826416	0.19
460.8207703	0.08
466.1067200	0.40
474.3318481	0.10
475.1195679	0.10
475.9064026	0.11
484.9958191	0.63
492.2239075	0.16
498.4756165	0.08
505.1103821	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	539.2129
Annotation	Briaexcavatin S
Peak:m/z	Relative Intensity
160.9956665	0.10
162.2679901	0.03
165.0470581	0.12
166.1824646	0.02
176.9840698	0.02
181.1007385	0.14
187.3751526	0.02
191.4713135	0.03
195.1112518	0.16
196.2136230	0.02
264.3241882	0.01
289.3679504	0.02
328.3485107	0.07
329.3002930	0.29
341.3262329	0.12
343.1921997	3.85
355.4494019	0.05
357.1973267	0.05
370.0714111	0.01
376.3854370	0.07
377.3344727	0.57
397.3493042	0.39
400.7156982	0.09
427.3389893	0.03
433.9487305	0.03
440.1618652	0.05
443.1096191	0.02
451.5777588	0.08
453.3896484	0.09
455.4325562	0.01
458.4149170	0.07
463.1531982	0.27
464.0081177	0.07
475.4589233	0.05
489.8565674	0.02
491.2811890	100.00
491.9209595	0.13
493.1357422	0.22
493.9318237	0.02
494.8854370	0.05
495.6515503	0.06
502.1902466	0.02
503.2439575	0.36
504.1151733	0.04
508.4687500	0.03
512.0986938	0.02
514.6975708	0.02
516.6262817	0.03
519.2397461	0.18
521.1708374	0.99
521.8471069	0.04
525.6287231	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	441.0823
Annotation	Arteminorin A
Peak:m/z	Relative Intensity
125.0118637	0.74
135.1889191	0.05
137.0493011	1.34
145.0510254	0.17
157.2513428	0.07
159.1902161	0.13
161.0330811	0.05
162.9034119	0.10
164.9710846	0.07
166.9708557	0.42
169.0291748	15.78
179.0254517	0.17
185.0490112	0.13
188.1504517	0.07
191.1081848	0.04
193.1164398	4.23
202.9806213	0.14
205.0435638	0.30
212.9329071	0.07
217.3067932	0.06
227.2143097	0.18
228.8922272	0.10
235.2010803	0.07
236.3762207	0.09
241.1324463	0.14
243.1117554	0.11
245.1366272	1.18
247.1248169	0.19
253.0765381	2.04
256.3059692	0.05
259.1895447	1.93
261.1453857	0.08
263.0100708	0.04
269.3620605	0.07
271.1367798	9.01
272.1538696	0.15
273.1424255	0.10
275.0095215	0.56
285.1340942	0.42
287.2572937	1.39
289.0993042	100.00
289.7010498	0.16
290.9540405	0.16
297.2656555	0.52
298.8450928	0.03
303.1610413	4.92
305.3115845	0.05
313.1060791	0.02
315.2007141	1.89
331.1044006	14.43
335.4892883	0.07
353.5589294	0.27
355.2595215	0.09
357.2337646	0.12
364.0899353	0.08
364.8923950	0.75
365.6232910	0.26
367.1229248	0.08
373.0822449	0.08
374.8858032	0.02
379.4026489	0.18
383.2315063	0.10
385.1479797	0.08
395.1534424	0.09
397.1418152	3.26
401.9604187	0.06
413.2837830	0.09
423.1980896	1.63
426.2949524	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.05
Annotation	UDP-L-rhamnose
Peak:m/z	Relative Intensity
192.9675293	0.10
211.1240540	2.08
212.6364136	0.49
225.1059723	0.18
280.1680298	0.89
296.8290405	5.29
305.2262573	0.06
323.0756226	100.00
380.7150269	27.06
385.1574097	0.30
402.8859863	0.10
462.1078491	0.60
464.4686890	46.48
465.1964111	0.67
531.1865234	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	567.2078
Annotation	Amritoside C
Peak:m/z	Relative Intensity
165.0723419	1.47
169.9556885	0.05
176.1083679	0.10
178.9792175	1.24
194.4964142	1.39
195.1484985	6.97
207.1285553	0.05
209.1622772	2.19
211.1203613	0.05
221.2676849	0.18
227.0992432	0.99
241.3497772	0.11
243.0348053	1.26
249.5084839	0.16
250.3832397	0.06
263.3622742	0.26
267.3821106	0.42
283.3410645	0.08
285.1181641	0.06
295.2216187	0.03
303.2044067	0.07
311.3485718	0.46
324.6730957	0.07
341.1530151	0.23
342.4421997	0.16
343.2899780	0.06
345.3988037	0.27
348.6579590	0.23
357.1921997	100.00
358.9808350	0.32
363.2786865	0.04
367.1000366	0.12
371.2738037	0.02
374.2435913	0.06
376.7319336	0.09
377.6343384	0.17
383.1214600	0.36
385.5431519	0.09
386.6675415	0.18
387.2723389	1.66
389.1968384	0.08
393.1699219	0.12
399.3046875	0.08
403.2434692	0.31
404.6234131	3.13
405.2335815	13.58
411.0798340	0.13
414.7233887	0.04
423.4532471	0.06
426.8294678	0.06
430.9351807	0.34
435.5817261	0.17
436.8556519	0.05
445.5991821	0.15
448.7749023	0.24
449.6567993	0.57
450.4725342	0.59
451.2019653	0.15
460.8518066	0.55
461.5178833	0.03
471.1834106	0.56
473.1303711	0.23
475.4537964	0.55
477.0950928	0.29
479.4373169	0.61
480.6705322	0.38
481.5518799	0.74
490.5333862	0.57
491.1980591	0.98
495.9149780	0.14
499.0689087	0.23
500.4002686	0.07
502.2579346	0.30
503.3225098	0.29
504.3096924	0.51
507.2482910	0.12
517.2581177	0.12
519.1841431	19.07
520.3192749	10.03
521.2525635	7.37
522.3359985	0.13
523.3607788	0.64
530.3585205	0.32
531.2003784	0.06
536.2503662	0.07
537.3356934	0.05
539.2894287	0.27
545.1322632	0.41
549.2642212	2.29
557.6124878	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	345.0807
Annotation	Theogallin
Peak:m/z	Relative Intensity
107.0082092	0.06
110.9837189	0.25
121.0168610	0.19
125.0419540	2.61
126.9548798	0.05
128.9063110	2.48
138.9361115	0.11
146.8312683	0.84
152.9798584	100.00
153.8844604	0.38
156.8681641	1.11
164.0931702	0.16
170.9419250	5.60
174.9276733	2.29
184.2765198	0.08
202.3333740	0.12
238.0517883	0.16
263.0832520	0.13
269.0947266	0.06
271.0820312	0.21
273.0728149	0.09
280.1775818	0.35
281.0203247	0.82
297.4468994	0.28
298.8186646	7.84
300.2060547	0.05
301.2933960	0.07
309.0955200	0.19
311.4081421	0.15
316.9211426	4.98
327.1981201	79.13
328.1415405	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0669
Annotation	2-Galloylglucose
Peak:m/z	Relative Intensity
124.9419250	3.80
139.0554352	0.07
168.9492645	100.00
169.8977966	0.07
192.9909058	0.05
208.4703064	0.06
211.0623779	0.04
228.1377869	0.03
241.1545715	0.07
271.1914062	0.36
312.8802490	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	193.0353
Annotation	D-Tagaturonate
Peak:m/z	Relative Intensity
58.9844704	5.50
69.0453949	0.07
70.9599762	10.26
72.9306335	9.10
76.9057465	0.54
83.0457459	0.23
84.9745483	4.40
88.8627319	28.47
100.9415283	10.76
102.8925781	100.00
112.9164886	41.66
114.9448090	0.22
118.8689117	6.39
129.1882172	1.15
130.9603119	76.82
133.0262756	7.22
144.9929047	0.36
147.1105042	0.12
148.3846588	1.80
149.0412140	9.03
157.0741882	4.69
162.9355927	3.75
165.0648499	0.14
174.9409485	20.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	594.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
178.5112610	0.11
181.0933838	0.43
192.3398743	0.09
197.0523071	0.10
198.9389648	0.22
203.8225555	0.60
210.6055908	0.15
217.1252289	1.66
219.0202637	0.09
223.0832367	1.00
226.8553772	0.23
228.9473419	0.59
241.0135956	1.12
246.9120483	1.51
250.6866760	0.15
252.1120300	3.56
253.0796967	1.38
253.9638519	0.32
258.2436218	1.73
258.9656677	4.95
266.2193909	0.15
269.8421631	1.94
271.0554504	7.55
276.0234985	0.20
277.0704346	1.09
287.2768555	0.81
288.3817139	4.42
289.0499268	18.70
289.8062134	0.10
294.7749634	0.45
306.8919678	5.20
309.9474487	0.42
313.3898315	0.11
320.7596436	0.29
322.0139160	0.43
324.9631958	100.00
326.3348999	0.13
339.3314819	0.16
342.2322388	2.46
342.8608398	27.15
343.5046997	0.07
398.7841187	0.36
412.1423950	0.20
414.0402832	8.08
432.0725708	23.11
447.4916992	0.07
450.9058228	0.62
461.1924438	0.23
469.5059204	0.20
486.7776489	12.78
487.3978882	0.80
496.0701294	0.10
502.4692993	0.12
504.0776367	0.96
504.8897095	3.65
540.1283569	0.27
575.6144409	0.32
576.3574829	2.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.0716
Annotation	Corynether A
Peak:m/z	Relative Intensity
92.99048615	0.04
95.83013916	0.07
96.95304108	0.22
108.9978638	0.82
109.9271393	0.03
110.9081497	0.04
115.2038803	0.02
117.8434448	0.08
121.1627274	0.05
122.0574951	0.06
123.0406189	1.02
123.8914261	0.22
124.9995117	3.45
126.0525589	0.42
135.0187073	0.99
136.9434814	4.13
137.9949951	0.49
139.0801849	0.71
140.0140991	0.08
145.1401672	0.07
149.0088959	0.19
151.0054169	1.89
151.9755554	0.32
157.9412537	0.03
158.9951782	0.85
159.987854	0.36
161.1701813	2.66
162.1917267	0.93
163.0239563	0.27
164.0098267	1.13
165.0847321	3.31
166.4382629	0.82
167.1622467	1.96
168.0812683	0.21
173.190094	0.23
175.086319	0.72
175.9583435	0.48
177.1826477	0.44
179.0897675	12.02
180.0313873	5.31
181.089035	0.15
182.1000977	0.10
185.2232056	0.34
186.9081116	2.41
188.0730743	2.24
189.0925293	0.04
190.8107605	0.08
200.249054	0.03
201.285614	0.65
202.0089111	0.73
203.0789185	7.99
204.2091064	4.03
205.0710754	46.11
206.1305237	11.61
217.2432251	0.71
218.2157593	0.41
222.2470398	0.27
227.2119141	1.32
228.0854492	0.64
229.0401917	0.36
231.0704041	10.55
232.0230713	2.21
232.6704407	0.02
242.0330505	0.17
243.4490662	0.06
245.0858765	100.00
246.1227722	56.59
247.1035156	8.28
248.1307983	2.27
253.9905396	0.10
254.8639526	0.05
262.5255432	0.43
271.1327515	3.73
272.0709839	3.00
272.9022827	0.16
291.2298584	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	448.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
129.9829102	1.33
144.0104980	0.35
144.9097137	2.56
147.8676453	0.49
161.7070160	0.18
162.9037323	25.63
180.9964294	10.13
182.9672241	0.41
217.0145721	0.88
217.7973175	0.09
243.0461731	0.23
245.0091553	0.08
255.1470032	0.26
259.0669861	0.14
261.0030823	0.73
268.0957031	2.67
285.4246826	0.55
286.1571960	0.16
288.8832092	1.02
304.7463989	0.89
307.0405273	16.39
313.1752319	0.10
318.0006104	0.17
325.2479248	3.95
328.1611023	0.69
342.9635620	100.00
357.8732910	1.62
366.5822449	1.35
367.9084473	0.24
377.0541077	0.10
386.9189453	0.11
388.9270935	0.11
391.7647095	0.23
394.1256714	0.14
405.2709045	0.60
411.7325745	1.16
430.0046387	1.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
103.0544968	0.27
107.0632019	0.29
108.8548737	1.37
111.3035583	0.40
116.8543243	0.30
121.0113144	2.25
123.0603333	0.66
125.1290588	0.30
132.9481049	0.45
135.0569763	1.64
136.9430237	1.09
143.0530701	0.94
146.9310913	0.64
149.2286072	0.69
151.1179657	0.50
152.5196228	1.26
154.9891052	0.43
156.0980072	0.61
157.0327148	1.18
158.1510773	0.24
159.2286682	1.20
161.0544128	0.78
164.634491	0.30
169.0249939	0.37
170.7632294	0.10
173.1275635	0.36
175.1032715	0.29
176.9216003	0.17
179.0670471	0.32
181.1822357	0.29
183.2256775	0.56
185.2521362	0.76
186.9481201	0.68
189.0279236	1.26
191.3217316	0.89
195.0121002	0.25
196.0126343	0.14
197.1282349	0.23
198.9158783	0.29
200.8524017	0.43
202.0506287	1.01
202.7083282	0.68
203.4064331	0.98
205.1628418	0.18
206.9632874	0.49
209.2260742	1.67
211.0263062	0.65
214.6322327	0.51
217.0588379	1.44
223.3442078	1.90
224.6332703	0.49
229.0723877	0.20
231.3398743	3.34
232.9111633	0.33
234.293457	0.41
235.2012329	0.51
236.0957642	0.29
237.0860291	0.96
238.1730347	0.20
240.0123901	0.91
245.289032	2.28
247.2197876	4.89
250.9710999	0.31
253.2112122	0.39
254.9489441	1.20
257.0916748	0.19
259.3041687	0.94
263.133667	0.56
264.3782959	1.61
267.1164246	1.41
269.240387	0.17
271.1396179	0.36
273.5320129	0.70
274.9054871	0.63
277.1361694	0.58
281.1697693	0.92
283.1929932	1.49
283.9840088	0.83
287.3444824	2.11
294.9897461	2.42
299.0302734	1.25
300.1552124	1.72
303.2489319	1.11
305.1967163	5.64
306.0737305	0.94
308.8981934	0.61
309.7056274	2.10
310.7210388	1.45
313.2979126	0.14
323.2340698	100.00
323.8729248	0.56
325.2221069	0.37
330.0374146	1.10
330.9898376	0.65
331.8403015	0.51
332.9832153	2.50
340.8755798	0.24
341.8118591	0.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	768.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
513.7780762	0.15
516.2954102	2.28
543.1990967	0.03
554.2785034	0.66
594.6631470	0.06
600.1072388	19.39
600.7321167	0.31
636.5835571	0.31
638.0686646	22.43
638.6840210	0.25
644.1375122	0.07
653.7903442	0.03
660.3435059	0.15
663.2901001	0.05
664.3309326	0.32
675.0581055	0.05
676.0878906	0.34
682.3182983	0.37
683.9940186	100.00
684.5985107	0.80
693.3196411	0.02
694.1332397	0.24
721.9760132	26.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	364.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
104.8761597	0.06
116.0237122	0.08
122.0118256	16.03
127.0113983	0.12
132.7677307	0.39
139.1760254	0.08
141.1260834	0.10
146.1522217	0.08
146.9862976	0.12
149.2329254	0.13
150.9382629	0.58
152.0786591	0.13
160.9628296	0.44
163.1622925	0.38
165.1392517	0.59
167.1235809	0.31
168.9757690	7.31
179.1043396	0.32
181.0047913	0.28
183.0392151	13.66
185.0881042	0.07
189.2227478	0.60
197.1132202	0.26
198.9917450	0.35
202.1070557	0.13
207.1297913	20.89
209.8524017	0.11
212.2242737	0.20
223.0701599	0.63
225.0003357	100.00
229.8698425	0.32
241.0519714	1.60
243.0353699	86.73
243.6740723	0.14
247.2958984	0.05
252.7307434	0.11
255.2190552	0.07
257.1777344	1.43
259.0377808	0.84
260.2236938	0.09
262.1506042	0.21
263.1773071	0.05
264.1405945	0.74
270.2336426	0.09
271.2685242	0.19
272.2164917	0.09
274.9583740	1.98
282.2305908	0.16
282.9300537	0.45
284.0012207	0.16
284.8663330	0.12
292.1976624	0.20
297.1092834	0.11
300.1237183	4.12
301.2856140	0.38
302.0981750	1.63
302.8451233	0.44
303.4635010	0.09
304.9550781	0.09
308.0172119	0.21
310.2977600	3.04
310.9949646	0.15
318.1599121	6.45
319.0965881	0.50
319.9658203	0.04
328.0753479	12.56
329.0310669	0.10
331.9567871	0.16
332.6512451	0.18
341.6358337	0.48
342.4741821	0.06
346.2078552	43.18
347.0922852	9.63
354.4467163	0.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0668
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
124.9643478	3.98
151.0337067	0.07
167.351532	0.09
169.0117493	100.00
179.2547607	0.01
190.9460449	0.06
192.9850464	0.04
211.0883179	0.33
235.1488342	0.03
241.2571106	0.04
271.1497803	0.43
287.1765747	0.10
311.1741943	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	939.1094
Annotation	Pentagalloylglucose
Peak:m/z	Relative Intensity
277.2212524	0.05
292.3330688	0.03
301.1974792	0.01
302.1657410	0.02
341.3667603	0.04
423.1076050	0.04
429.2662354	0.21
431.1359253	0.07
447.1502075	0.38
465.2086792	0.17
470.3613281	0.05
483.0443115	0.01
555.2344971	0.20
571.3546143	0.05
573.6505737	0.04
599.2760620	0.63
601.3109741	0.47
605.4678955	0.05
617.1555176	3.63
618.4110718	0.05
635.1576538	1.31
636.4188232	0.03
695.4336548	0.06
723.8996582	0.03
725.2189331	0.35
753.5055542	0.04
769.2490845	25.82
770.2477417	0.41
771.2959595	0.06
785.1279907	0.21
787.1200562	100.00
787.7625122	0.49
894.2630615	0.03
895.1016235	0.02
918.8908081	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	423.9534
Annotation	Unknow
Peak:m/z	Relative Intensity
181.2960205	0.41
185.0261841	0.06
203.1911011	0.23
257.1063232	0.15
282.9145813	0.99
296.8887939	0.09
308.8934326	4.01
310.0165405	2.70
311.0948792	2.12
319.8972168	0.40
323.0495605	0.60
325.5021667	0.17
327.2172852	0.45
328.0183105	1.03
328.7757874	0.98
334.2278442	0.15
337.3674927	0.17
340.2530212	0.14
342.0875854	0.92
349.1984863	0.43
350.1100769	0.26
351.1256714	0.19
352.9483643	0.30
365.1093445	0.60
368.0267639	0.53
368.9642639	0.54
373.1435852	0.31
377.2775574	1.19
378.2403870	0.68
379.2087708	0.80
380.9694214	0.51
382.9561462	100.00
383.5952759	0.22
386.2017517	0.25
395.1522522	0.99
396.1305542	0.15
396.9705200	0.30
397.5885925	0.53
399.6905212	2.35
400.5405579	16.24
401.1938782	0.43
402.9934998	0.40
404.5042419	0.20
405.7819519	0.38
408.2971191	0.09
409.9380493	0.44
411.3583374	0.26
415.5865784	0.13
416.6810913	0.12
423.2467041	0.48
423.8613586	0.43
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
135.1598816	0.38
157.1921387	0.31
173.0574036	0.68
178.8339081	0.17
183.0494232	0.48
185.0831604	0.49
201.1543579	2.14
206.0180359	0.47
213.4121399	0.78
214.076355	0.23
215.128418	1.42
227.2671509	0.68
227.9006653	0.25
231.1921082	0.53
241.2475891	1.38
243.2597351	2.17
245.2597046	0.42
255.230957	0.49
257.3485413	1.89
259.0410156	1.38
263.4160767	4.19
267.1676941	0.59
269.3190308	0.50
271.2048645	2.97
273.2710876	1.67
283.0987854	0.39
285.4640198	3.01
287.322876	0.87
295.0768433	0.42
297.3043823	2.59
299.2577515	3.11
301.3656921	1.27
311.2850647	1.73
313.3084717	5.91
314.5671997	0.60
316.9210815	0.67
321.2582092	1.45
322.2510071	0.59
323.3178711	8.24
325.2002869	1.88
326.2030334	0.17
329.0409546	0.60
335.3660278	1.00
336.4156494	0.76
339.2528076	100.00
339.9185791	0.13
341.2827148	16.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	663.1408
Annotation	2-Galloylglucose
Peak:m/z	Relative Intensity
210.9298096	0.01
313.2554626	0.01
331.1457520	100.00
332.1215210	4.47
332.9251099	0.00
457.2029419	0.00
500.2068481	0.00
501.0789185	0.01
643.0236816	0.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	241.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
83.1654205	0.20
111.0594635	0.43
121.8483276	1.15
133.1225891	0.13
144.0418854	0.10
162.9565430	0.24
178.2112885	0.35
179.7930450	0.26
182.9793396	91.11
194.7364655	0.17
196.0449066	42.18
197.2209778	0.67
198.8581848	0.49
200.8390961	100.00
201.8124695	0.31
204.8586884	0.22
213.9605713	17.09
216.8756104	0.61
218.8056946	21.40
219.4633026	3.81
224.0441742	11.57
229.8327484	0.22
236.6493988	1.38
241.9061890	3.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	625.21
Annotation	Salicifolioside A
Peak:m/z	Relative Intensity
207.0526428	0.10
210.1788177	0.11
236.3474884	0.16
272.0287476	0.12
277.2031250	0.10
303.2065430	0.20
306.1762390	0.20
321.1351318	23.19
326.9688721	0.04
341.3724365	0.09
355.2659912	0.11
359.2023926	0.09
387.1962891	0.29
389.0778198	0.09
422.6380005	0.17
429.0557861	0.77
437.4392700	0.09
447.3127441	0.09
449.0524292	0.08
455.1860352	4.87
459.1735229	0.06
463.4607544	0.17
467.3694458	0.15
471.0288086	0.28
473.0287476	100.00
475.8574219	0.32
491.3782349	0.04
505.3658447	0.40
510.1846924	0.11
523.5587769	0.28
526.6804199	0.22
533.2637939	0.13
539.0643921	0.07
546.9014893	0.82
548.5291138	0.85
549.2938843	0.58
555.2008057	0.15
574.2406616	0.71
578.0122070	0.66
579.3557129	0.25
581.0199585	1.51
589.4582520	0.14
593.4955444	0.55
601.6060791	0.24
602.7977295	0.46
604.1408081	0.24
607.3862915	0.08
615.4429321	0.42
616.2224121	0.46
626.2717896	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	593.2813
Annotation	Dictamnoside G
Peak:m/z	Relative Intensity
191.0471954	0.07
193.2020111	0.03
222.8806458	0.08
253.3109436	0.22
261.3113098	0.10
262.9926758	0.06
268.8653259	0.06
285.3403320	0.21
293.2435303	0.08
305.3030396	0.08
308.9758301	0.05
310.1046753	0.13
311.0005493	0.38
323.3096924	0.10
331.2635498	0.13
343.1316528	0.05
385.2133789	0.82
389.2432251	0.39
395.0922241	0.16
396.0496216	0.07
405.4199829	0.19
413.5983887	0.05
415.3366699	2.57
418.8710327	0.21
430.3173828	0.37
431.1264648	0.45
433.4644165	0.12
438.5636597	0.33
461.3798828	0.26
465.4069824	0.24
473.1341553	0.03
491.4655151	0.07
497.0564575	0.27
503.5375977	0.28
505.2886353	0.16
507.1889648	0.03
513.6066284	0.04
533.6723022	0.11
538.7512207	0.10
541.6452637	0.13
544.9172363	0.30
547.2837524	100.00
547.9199829	0.27
549.2710571	0.04
551.3212280	0.07
557.2473755	0.24
561.4729004	0.38
563.2169800	2.27
563.8412476	0.02
567.0564575	0.03
569.5944214	0.24
574.2559204	0.39
575.3110352	4.02
576.1176147	0.07
578.7666016	0.27
582.0816040	0.06
583.7136841	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.1226
Annotation	Limocitrin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
173.0368652	0.20
175.0500183	0.09
203.0733948	0.10
205.0812988	0.59
207.0576477	100.00
211.0201874	0.50
216.9809875	0.11
235.3614807	0.42
236.9573059	0.10
268.9152222	0.13
306.2579346	0.46
316.9255981	0.16
323.1364746	20.51
331.0886230	0.74
341.1431885	0.38
355.2575073	0.11
357.1238403	2.54
369.1964111	1.13
372.6962280	0.15
374.9499512	0.72
383.9151001	0.10
413.3469238	0.12
414.1229248	0.09
420.0499268	0.08
428.1804810	0.37
433.3297729	0.27
434.9229126	0.18
443.1896973	0.29
444.2509766	1.34
445.4376831	1.31
448.8629150	0.45
450.3500977	0.57
461.7365112	0.06
476.4635620	0.27
477.3175049	0.18
488.0465698	0.28
503.3641968	19.25
504.4338989	0.09
505.3163452	0.20
513.1276855	0.34
530.1549683	0.82
531.0455933	1.07
531.7198486	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
122.7975464	100.00
189.0291901	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.0716
Annotation	Corynether A
Peak:m/z	Relative Intensity
93.07017517	0.08
96.86759186	0.26
98.96250916	0.06
107.0837784	0.07
109.0181808	0.76
120.9813461	0.18
122.9983749	0.28
125.0184555	2.58
134.852356	0.38
137.0545044	2.04
138.9386444	0.16
143.1846313	0.02
146.9321899	0.04
149.1118317	0.16
150.9469299	1.51
159.1456604	0.79
161.115448	1.52
162.2535858	0.31
163.1141663	0.19
164.0446167	0.66
164.9749908	2.97
167.0545044	1.26
173.1712341	0.09
174.1132202	0.03
174.9594421	0.68
177.1400146	0.02
179.0792999	10.60
180.2501526	0.03
183.8990021	0.08
185.0011902	0.12
186.075592	0.32
187.1031036	1.82
188.1088715	1.18
189.0769043	0.04
191.1439514	0.06
197.2386475	0.04
199.0185852	0.17
201.2212219	0.43
202.1307983	0.37
203.1312866	7.53
205.021759	32.18
205.62677	0.20
209.1524658	0.05
211.3626404	0.07
212.1106262	0.13
215.1378784	0.13
217.1802368	0.77
218.674469	0.14
221.082489	0.11
222.9537659	0.15
225.2285461	0.13
227.0259705	2.49
230.4403381	0.88
231.0792542	4.84
243.0462341	0.31
245.0859375	100.00
247.0684814	7.38
247.8024597	0.14
252.9332886	0.09
255.4768677	0.23
258.2562866	0.17
260.3829651	0.07
261.2892456	0.18
264.8625183	0.06
269.0997009	0.09
271.0991211	6.56
274.0792542	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2626
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
80.71032715	0.99
82.91259766	0.25
88.93679047	1.07
91.04067993	0.72
93.05523682	1.71
95.02117157	3.56
96.85751343	0.68
98.99420166	0.19
100.9971161	4.60
107.0678177	1.01
109.0864105	4.35
110.8346863	4.62
112.8437119	0.19
114.8543777	1.54
120.9995422	2.87
123.0805435	1.63
125.0205536	2.45
126.9887466	0.57
128.1675415	0.21
129.0756531	0.46
133.019928	4.95
135.0332947	11.46
137.0675659	2.19
138.802002	0.77
141.0813904	0.98
143.0008545	1.40
147.194458	0.54
149.1348572	5.49
150.997467	3.43
151.8245239	0.29
153.0133667	0.93
162.9912109	5.96
165.0634766	6.13
167.0360413	1.38
168.5878906	1.20
169.2475128	0.68
170.9230957	2.30
173.0056	0.16
177.0519409	8.83
179.0839386	1.93
180.9637146	0.70
182.566803	1.28
183.1989136	1.37
184.91745	0.87
187.2625275	0.36
191.1322937	2.92
193.204895	0.72
195.0712891	0.52
197.0638733	0.30
198.1309814	0.15
199.1544495	1.15
201.2740479	0.24
204.2814941	0.87
205.2393799	1.11
207.298645	0.93
208.9396057	2.25
211.0350952	0.35
213.3038025	1.65
219.0204163	1.21
220.7808228	0.91
223.0924072	0.28
225.0710754	12.38
227.210907	4.06
234.7485352	0.15
235.9953918	0.80
237.0883179	1.95
239.270874	7.66
241.1654663	2.69
242.2756348	1.89
245.350769	0.85
247.2479248	47.25
252.1087036	0.93
255.0256348	1.92
263.1381226	1.03
265.2601929	100.00
266.2971497	1.02
267.0872192	0.25
274.1904297	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
263.2139893	0.02
293.2015381	0.06
307.3884583	0.03
311.8269653	0.03
313.2244873	0.07
323.0813599	0.01
341.1555786	0.01
345.4160156	0.04
364.0040894	0.03
366.3394775	0.05
369.2209473	0.05
371.2866821	6.49
372.3580322	2.06
387.4155884	0.25
388.1477051	0.07
393.4620361	0.05
395.2584229	0.05
403.1882935	0.09
428.1923218	0.06
432.8085938	0.05
463.6321411	0.05
464.3414307	0.06
465.2760010	0.09
466.4534302	0.02
469.3202515	1.02
472.7592163	0.03
474.2546997	0.64
475.6201782	0.07
476.4367065	0.02
481.0590820	0.04
501.6429443	0.17
503.2488403	100.00
504.3486328	24.45
505.6207275	0.10
506.3571777	0.01
511.4231567	0.03
512.8037720	0.11
514.1343384	0.03
516.0744019	0.03
522.0413208	0.03
527.1194458	0.01
528.1235962	0.04
531.5040894	0.13
532.4692383	0.10
533.0892944	0.09
541.2635498	0.04
542.7853394	0.02
546.8278198	0.03
554.9240112	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	617.078
Annotation	Unknow
Peak:m/z	Relative Intensity
175.3397827	0.11
179.1877747	0.10
180.0037384	0.09
185.0639038	0.07
187.0147247	0.31
189.2804108	0.15
191.0248413	0.19
193.0575867	0.28
195.0491180	0.25
203.2851868	0.08
204.2720490	0.12
205.0638733	0.95
205.6803131	0.03
207.0673828	0.57
210.9408112	1.29
215.0924835	0.68
216.8653259	0.50
219.1639099	0.33
221.1357574	0.46
223.0462952	0.11
225.2171936	0.09
233.1540833	0.81
235.0749969	1.19
236.0938721	0.26
237.0355225	0.07
241.1754456	0.04
242.3274536	0.04
246.1882935	2.07
247.1545868	0.95
248.8122559	0.28
249.4351501	0.16
251.1639404	0.43
254.0814362	0.06
259.1324158	0.59
260.2580566	0.05
261.1580200	0.31
264.9130859	0.08
269.2535095	0.06
271.1973267	0.79
275.1298218	0.05
277.1638489	4.43
278.4160767	0.41
279.2388306	0.21
287.2258301	0.16
288.9353027	0.21
295.1251831	5.74
296.1569824	0.25
297.2369995	0.44
298.1166687	0.08
301.1047363	0.50
303.0496216	0.16
308.2527466	0.06
313.1169434	5.40
316.3081665	0.03
319.2192383	0.26
323.1651917	0.17
325.2285767	0.25
327.0919189	0.06
329.2198486	0.34
331.4536743	0.07
332.1255493	0.08
339.4641113	0.05
340.9459229	0.03
343.1420898	0.58
355.3289185	0.09
357.0638428	0.10
359.2713623	0.46
367.0999146	0.23
377.1510010	0.14
385.1456909	0.96
387.3084717	0.11
389.3748779	0.06
391.1549683	0.19
401.3085327	0.21
402.1990967	0.15
403.2801514	4.67
405.1107788	1.05
409.3574829	0.06
411.1442871	0.25
417.6939087	0.09
419.3240967	0.26
421.3375854	1.26
423.2810059	0.97
424.2125854	0.09
427.0744019	0.17
429.1374512	2.57
441.5527954	0.08
447.1166382	30.96
448.1172485	0.60
449.2597046	4.88
450.2354126	0.09
455.4223633	0.06
464.1033325	0.06
465.1883545	100.00
466.1973877	3.27
468.6188354	0.13
473.1169434	0.07
481.1464233	0.19
482.7200928	0.18
488.3208618	0.08
495.8774414	0.42
512.3821411	0.04
517.6240845	0.12
524.6018677	0.17
529.2346802	0.61
530.5429077	0.42
537.3378296	0.53
540.1203003	0.79
544.7391968	0.20
549.3187256	0.15
555.2180786	0.30
558.9122314	0.17
569.3172607	0.54
571.3426514	3.81
573.1828613	5.38
580.4385986	0.20
581.3615112	0.17
585.5330811	0.23
587.3557129	0.07
588.1951294	0.06
589.2052612	0.21
590.2905884	0.04
593.5853882	0.04
594.7449341	0.04
597.5018921	0.04
598.4872437	0.15
599.2523804	2.62
607.4791870	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
109.1398926	0.60
110.8163071	0.61
115.0085144	0.18
120.9250793	0.85
123.1352921	1.03
127.0820007	0.16
133.1356354	0.81
135.0045471	3.64
136.8875885	0.26
143.0613251	0.70
144.7349243	0.16
146.9868774	0.88
148.0890503	0.19
149.2048492	0.14
150.9941711	0.11
153.071167	0.17
155.0262451	0.18
157.1307678	0.97
159.1035156	0.23
160.9072876	0.63
163.1080933	0.19
165.1572266	0.49
165.8379974	0.07
167.1635895	0.37
169.1036835	0.69
169.9856873	0.73
171.0148468	0.25
172.5698547	0.47
173.1887054	1.08
175.1425018	0.98
177.1878052	0.35
179.2073212	0.10
183.1972046	0.29
187.0358734	1.01
188.951416	0.17
191.1305847	0.19
193.0232849	0.67
195.3098145	1.10
199.0690918	0.54
203.2298737	0.44
204.0341797	0.12
205.2221527	0.74
207.253952	0.23
209.1489563	1.08
211.115387	0.76
212.309021	0.16
212.9954224	0.30
214.6912537	0.22
217.1578674	1.72
221.1673279	0.34
223.2262268	3.72
227.0401917	0.63
228.9654846	0.40
231.2060547	2.53
233.4945984	0.32
234.1109619	0.44
237.3150024	0.93
239.1196289	1.27
241.1448669	0.93
243.2632446	0.12
245.2759705	1.29
247.3153687	5.43
249.3197327	0.66
249.9959412	0.20
252.1320801	0.27
253.0994873	0.11
255.1712036	0.83
259.3247681	0.58
263.2015991	0.71
263.9802551	0.28
266.0630798	0.15
267.1257629	1.48
268.4647827	0.11
271.0374756	0.23
278.2828979	0.15
279.4415894	0.18
280.7617493	0.60
281.3914795	0.25
283.2982788	1.23
287.3342896	0.77
291.3309937	0.15
293.1529846	0.30
295.2603455	0.89
296.1433105	0.50
297.2452087	1.32
299.2269287	0.90
300.1421509	0.42
305.2202454	1.24
309.5921631	0.25
314.3164673	0.29
323.2406616	100.00
323.899353	0.48
325.1436157	0.45
332.5890198	0.42
339.238739	0.25
340.0784302	0.90
341.225647	1.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
84.8813171	7.83
100.9931030	0.29
110.9819641	8.87
125.0939484	0.14
129.0171814	1.95
132.8185272	0.02
135.0275269	0.03
142.8956757	0.12
145.2859344	0.03
146.9882965	0.23
159.0659027	0.09
160.8374786	0.65
173.0684052	0.31
186.9890594	2.20
193.1294403	0.02
194.9167023	0.04
205.0474243	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	515.16
Annotation	Unknow
Peak:m/z	Relative Intensity
155.1122742	0.21
161.0818481	0.12
170.9601440	0.05
172.3262939	1.33
172.9617615	7.07
179.0232391	1.35
233.0363007	0.05
272.3414001	0.02
281.1907349	0.16
331.1913452	0.10
333.8632812	0.03
335.3354492	0.53
338.8460083	0.02
341.1690063	100.00
342.0145264	0.10
346.1798706	0.05
381.0001221	0.05
385.1267090	0.04
453.2934570	0.12
454.1860962	0.02
455.4453735	0.01
464.8400879	0.12
471.2049561	0.04
497.3057861	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	474.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
144.7643738	3.55
162.9354858	5.46
220.7659760	0.48
223.0758667	0.18
229.0220184	0.68
240.7538147	0.83
246.2655029	0.40
247.0148315	1.74
258.7673035	4.40
271.1256409	1.67
276.2153931	0.69
276.9108582	3.25
280.1126099	0.76
288.8174438	18.73
289.4205933	1.26
293.2790222	8.50
293.9873047	71.80
294.5889893	0.54
306.6110840	7.19
307.2835388	1.32
311.7956238	100.00
312.4292603	0.57
324.2075195	4.10
324.8951721	40.55
342.7251282	1.79
409.7923279	0.46
427.9482422	4.12
455.9783020	6.78
456.7217102	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0196
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
84.8824005	0.35
86.9888611	0.67
101.0842133	0.08
109.0009766	0.02
110.9760437	100.00
111.8734436	0.09
112.9501190	0.07
126.8905792	0.07
128.9869232	2.42
130.7920532	1.25
146.9545746	0.32
155.2051697	0.22
161.0865326	0.02
172.9031219	20.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0668
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
96.65924072	0.03
107.2456207	0.01
112.9958344	0.01
121.0387268	0.02
123.1331787	0.05
124.975769	3.43
151.0333557	0.14
152.9527283	0.02
167.1577606	0.10
169.02005	100.00
183.0940399	0.04
191.1114044	0.12
193.1667938	0.33
199.1285095	0.01
211.04776	1.11
223.0337524	0.07
241.2508545	0.19
243.0853577	0.08
271.0412598	3.30
271.652832	0.07
295.1842651	0.01
313.2019653	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	453.7839
Annotation	Unknow
Peak:m/z	Relative Intensity
189.2066040	0.04
205.1066589	0.04
215.3043823	0.10
258.8218384	0.08
259.9348755	0.03
287.7888794	0.06
290.0516357	0.07
310.3834229	0.12
318.9567261	1.01
319.8040771	1.63
321.8668213	0.61
323.5180054	0.05
324.8861694	0.24
338.3740234	0.07
339.2930908	0.10
347.8822327	0.33
360.4280396	0.06
361.9356079	0.30
363.8551636	100.00
364.9805908	0.10
365.8806763	0.45
366.8183289	0.17
375.0474243	0.05
377.7974548	0.12
379.8065796	5.56
380.7803040	1.33
381.5680847	2.59
382.6795349	0.06
389.6655579	0.05
390.3271179	0.04
391.9967041	0.07
393.3178711	0.03
393.9603577	0.09
394.6711121	0.09
397.7115784	1.24
402.9125061	0.34
405.0554810	0.04
405.7920532	0.42
407.1271057	0.04
408.8464050	26.39
409.9359436	1.02
410.8571472	0.30
412.3003845	0.48
412.9094543	1.70
413.5310364	0.17
414.3915710	0.03
416.3580322	0.02
417.3363342	0.47
418.2561951	0.10
420.3973999	0.26
421.0417175	0.06
422.5047302	0.09
423.7783203	0.67
424.4945984	0.14
425.5951843	1.36
426.4032593	0.94
427.9405823	0.52
430.1952515	1.13
430.9694824	0.99
431.8706970	0.53
432.7438049	2.41
433.4105225	2.22
434.4452209	0.40
435.6573792	1.50
436.6766357	0.13
439.0460510	2.27
440.0308228	1.05
440.9552307	0.12
441.8435364	1.83
442.4653015	0.16
444.2763367	2.14
445.2401733	0.36
446.1127930	0.35
446.8716125	0.43
448.7739563	0.18
449.6823730	0.17
450.8529053	0.37
453.5446167	0.37
456.9541321	0.21
463.3844299	0.37
464.8857117	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0668
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
125.0291214	3.47
130.7280884	0.01
151.0613251	0.02
155.0852661	0.01
158.8175812	0.04
160.9833374	0.05
167.0106812	0.06
169.0240784	100.00
188.8466949	0.04
190.8869324	0.02
192.9080505	0.43
195.2481995	0.05
211.1279297	0.80
212.9145813	0.06
235.0731812	0.18
245.1227417	0.09
250.7145691	0.04
251.4833679	0.03
263.0923767	0.06
267.928833	0.05
271.0676575	1.83
273.0093079	0.02
285.4768982	0.22
286.9549255	0.08
289.0520935	0.02
291.4557495	0.03
295.2767334	0.03
301.2384033	0.06
311.2407837	0.02
313.2590332	1.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.1096954	0.17
109.0282364	0.52
116.9827423	0.54
117.8786011	0.09
121.1020126	0.96
122.7862701	0.56
130.6619263	0.13
131.2743835	0.27
132.980011	0.31
135.1581879	1.49
137.0626831	0.48
140.9490204	0.22
143.1373596	0.25
143.9313965	0.28
145.1490784	1.05
146.9337158	1.05
149.1212311	2.91
154.0042725	0.14
154.9962006	0.23
156.9299927	0.88
159.1098328	0.48
161.031311	0.77
163.3794556	0.69
164.0037231	0.33
165.1700439	0.07
166.9784698	0.32
168.9838257	0.19
171.190094	0.31
173.065979	1.08
175.0217896	1.00
175.8922577	0.20
177.0225067	0.93
179.2917023	0.30
183.1317444	0.86
185.0845795	0.59
187.1446075	2.74
189.2546997	0.33
191.2735443	0.68
196.8601685	0.30
201.0552063	0.49
205.3407593	0.50
207.057373	0.67
209.3007507	0.38
211.3887024	0.15
212.0343933	0.09
213.081604	0.34
215.3119812	0.10
217.2270508	2.31
223.1653137	3.38
227.4084473	0.52
231.1900024	0.32
233.0791321	0.39
235.3313904	0.19
238.2329102	0.54
239.2513123	0.99
241.1407166	0.71
243.3221436	0.45
245.0612793	1.52
247.1607056	4.80
248.7473755	0.20
251.281311	0.36
255.1862183	1.44
256.2347717	0.28
257.0828857	1.83
259.2983398	0.98
260.1654968	0.87
263.0711975	0.20
265.2285767	1.07
267.2392578	1.19
269.2483215	0.41
271.2766724	1.27
273.1215515	0.34
281.4537048	0.50
283.321167	0.45
284.3082275	0.68
285.5097046	0.68
287.2371216	0.33
295.4733276	0.36
297.3103638	0.58
299.3427734	0.33
299.9428406	0.23
305.1635132	1.89
306.1616211	0.28
306.9665222	0.06
310.9707947	0.38
313.4130859	0.60
323.2384338	100.00
323.9483337	0.21
324.5876465	0.31
325.3074341	0.30
331.5368958	0.39
339.9868774	0.33
341.1583252	1.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
143.0616455	0.08
147.0426025	0.02
157.0289307	0.02
161.1976471	0.11
163.1457214	0.03
165.1340027	0.33
166.0652466	0.08
169.0827179	0.25
170.1279907	0.10
178.9360352	0.04
180.2809448	0.08
181.1883240	0.03
189.2685852	0.28
190.2744751	0.16
190.9420776	0.04
207.1522217	2.08
208.2080994	0.75
209.1531372	3.93
210.1992493	1.18
225.1448212	1.82
226.2890625	0.43
227.2852783	0.17
228.0084839	0.03
232.9981689	0.13
234.0406036	0.08
249.1116943	0.04
250.2273254	0.03
251.2185669	3.07
252.0883484	0.79
264.1614685	0.02
269.2026978	100.00
270.1841736	25.04
283.3231506	0.02
284.4319458	0.03
287.1822510	10.37
288.2883301	4.29
293.4041138	0.08
296.9691162	0.08
298.4376831	0.05
300.4112244	0.03
301.4296265	0.02
303.3720703	0.04
314.0518799	0.02
315.1140137	0.04
317.3191833	0.03
323.3826904	0.03
329.2374878	0.59
330.1959229	0.25
341.3685303	0.02
342.2141418	0.03
343.1994629	0.05
345.4499207	0.05
354.1864929	0.03
359.0943604	0.60
360.0476074	0.50
362.3799438	0.28
363.5654297	0.11
370.4100952	0.03
371.4685974	0.02
373.6540833	0.61
374.3977051	0.11
384.2517700	0.03
384.9056702	0.16
389.1664734	1.94
390.2878113	0.96
393.6124268	0.24
405.7396545	0.09
406.5166321	0.01
407.4050598	0.05
411.8042908	0.03
414.5455017	0.08
420.2518616	0.03
427.7319641	0.20
429.4617310	0.13
430.2298584	0.09
431.2470398	0.91
432.2450562	0.36
436.2289734	0.06
440.6796570	0.25
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
92.88518524	0.41
117.2339935	0.38
119.9795532	0.31
122.0413208	0.40
123.0145569	0.61
130.0146332	0.23
136.1207733	0.52
140.8618011	1.04
149.1694794	1.96
154.048996	0.38
165.2443237	0.21
174.2804718	0.98
175.1467743	1.87
176.9164734	0.23
180.1120758	2.36
181.1444855	1.61
183.3214264	0.25
184.3153687	0.33
194.0500031	0.42
195.1147919	2.48
196.1923218	0.56
204.3058014	0.82
206.2111664	0.49
207.2508698	10.04
208.0344086	9.34
209.1669922	5.64
210.0246124	3.02
210.7168427	0.23
216.1604767	0.40
222.120224	4.68
223.24617	13.76
224.0462799	13.36
225.1033173	0.36
233.3469696	2.09
234.1000519	1.11
236.0533295	0.25
237.272049	1.33
247.9743195	0.95
249.1301422	0.27
251.0644073	63.19
252.0862427	100.00
253.1358032	5.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	263.1288
Annotation	Abscisic acid
Peak:m/z	Relative Intensity
81.10899353	0.03
100.9717026	0.05
109.1859894	0.03
110.9934998	2.41
113.1082764	0.16
121.1598358	0.17
125.3955688	0.05
127.1955719	0.04
135.0044098	0.06
136.9756317	0.33
139.2534943	0.13
147.0588531	0.03
151.2234039	0.20
153.0954132	100.00
161.1239777	1.35
172.8999176	0.15
175.0543365	0.15
177.2095642	0.47
179.1772614	0.04
185.0236511	0.09
187.6113434	0.02
189.2569122	0.06
191.1126556	0.10
191.9921875	0.13
199.0117645	0.04
201.1618652	3.33
203.1286163	0.54
204.1628571	1.70
205.352478	0.05
214.7799225	0.03
217.1105804	0.59
219.1903839	29.09
220.0968781	0.12
221.1935577	0.07
230.2135773	0.03
230.9285431	0.06
233.1575928	0.04
234.2732544	0.03
235.2268829	0.15
244.3743439	1.34
245.158371	2.20
247.3359528	0.04
248.1186066	0.04
259.3432007	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	516.8972
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9512939	0.81
174.8520508	0.30
199.0422363	0.11
217.0217133	0.05
229.0902557	0.06
245.0478973	0.14
272.9896851	5.99
288.9731750	8.55
289.6012573	0.04
387.0201416	0.32
400.8648682	0.21
402.9238281	100.00
441.9807129	0.02
443.0360107	0.15
444.8158569	0.02
461.0296021	0.05
471.1163940	0.22
490.1282349	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	863.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
409.0188599	0.17
414.4010620	0.11
451.3746338	0.22
521.7897949	0.12
539.2187500	0.13
541.3246460	0.05
701.3934937	0.10
758.9816284	0.04
773.2279663	0.21
817.2202148	0.26
863.8508911	0.15
1301.2730710	0.21
1645.2803960	100.00
1700.8107910	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	169.01
Annotation	Gallic acid
Peak:m/z	Relative Intensity
80.96219635	0.03
94.88253784	0.05
97.14509583	0.11
125.0228271	100.00
139.2718658	0.06
151.1227722	0.06
169.2611847	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	626.69
Annotation	Unknow
Peak:m/z	Relative Intensity
206.7165985	0.14
290.7785645	1.01
293.1134338	0.13
374.6622925	0.35
418.2777100	0.10
422.7353516	0.01
436.8809814	0.01
458.5714111	11.58
459.4240723	0.01
460.6820068	1.12
464.5353394	0.05
478.8004761	0.03
482.7675781	0.17
490.7057495	0.30
496.8779907	0.06
502.5173950	0.02
506.5286865	0.26
518.3197632	0.02
519.2442627	0.19
520.6354980	5.56
521.4303589	0.03
542.5759888	100.00
543.2610474	0.35
550.8710327	0.02
562.7952271	0.15
566.7371216	1.56
580.5651855	2.79
581.2063599	0.04
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
92.9184494	0.14
95.23040771	0.18
98.89291382	0.60
99.82572937	0.28
111.0168991	0.29
114.9374084	0.38
119.3154755	0.08
129.9802246	0.20
133.1103821	0.32
151.1895752	0.08
155.4236908	0.36
157.1040344	0.09
166.940979	0.32
168.2131958	0.24
169.9126434	4.69
171.1852417	0.66
172.2627869	0.36
175.9106903	0.32
183.0136261	100.00
184.0426636	13.92
185.0171814	0.81
186.2315979	0.09
195.2752838	0.65
197.1228943	44.05
198.0728912	12.70
199.1040955	1.39
206.9349976	0.17
209.2056885	0.22
210.4177551	1.88
211.0755005	1.69
212.1135254	2.83
212.9237976	0.63
216.8430176	1.19
223.165741	0.59
225.1439819	4.52
226.0645447	1.41
226.869751	0.33
230.1867065	0.38
233.1448669	0.21
235.1659851	0.32
237.3352356	0.52
239.1772461	7.06
240.1326294	1.87
241.0970459	1.43
242.2956238	0.29
243.2265015	1.20
247.3045044	7.29
248.2606812	2.57
249.3721313	9.60
251.2136841	0.35
252.1166687	0.40
253.1390381	3.46
253.9540405	1.55
255.2067871	1.84
263.359314	0.17
265.5002136	0.67
267.2199402	14.14
268.0924683	0.53
269.1495667	1.72
275.2806702	0.30
279.2015381	0.30
281.3426514	0.79
282.3008423	0.12
283.0578308	0.13
292.5514526	2.93
293.230896	21.98
293.9195557	0.37
295.3004761	0.43
311.3486938	16.08
312.3007507	2.17
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
139.9898682	0.02
191.2311401	0.03
196.0618286	0.27
214.0619812	1.77
220.9117432	0.11
233.3404846	0.37
249.3400269	0.02
257.4798584	0.12
259.3296509	0.18
269.4081421	0.02
275.4092407	0.24
277.2645264	100.00
287.2615051	0.04
318.4750366	0.05
358.2855225	0.06
376.1866150	0.09
388.6575012	0.03
428.4044495	0.10
429.2856140	0.01
430.4795532	0.26
435.3629761	0.03
438.6682434	0.04
452.2872620	0.03
455.6170349	0.23
456.3570862	0.24
457.1923523	0.01
459.2574768	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	685.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
199.0304108	0.54
216.9409485	1.73
241.3180084	0.09
246.8859253	0.02
258.4834595	0.17
259.2278137	0.30
285.0213623	0.50
303.1528320	5.85
321.1235046	5.65
331.1801147	0.06
343.0948792	0.09
345.1613770	5.68
353.1179810	2.66
363.0440063	5.87
376.3362427	0.25
377.2476807	0.19
411.3318481	0.05
418.9209595	0.09
421.6101074	0.05
423.1425171	0.21
437.1467285	2.13
461.5486450	0.42
467.1282349	0.21
479.2419434	4.72
493.2532349	0.33
497.2450562	3.22
509.2190552	0.34
521.2280884	17.58
523.1340942	0.08
527.3804321	0.24
538.6521606	1.63
539.2825317	5.81
569.2811890	0.07
581.2406616	13.50
623.3144531	0.09
625.1901245	100.00
641.3261108	0.11
643.2417603	0.41
649.5050659	0.07
667.2982788	81.99
676.4439087	0.08
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
108.7487106	0.23
123.0131912	0.56
150.7913513	0.24
156.8845215	0.24
171.1408844	2.27
173.2055664	0.20
183.2707977	0.68
184.8678436	0.47
187.037674	2.98
189.1753845	0.49
195.3029785	0.67
198.8851929	0.58
201.0621338	3.17
213.117157	1.01
215.1056213	2.73
227.3261414	1.34
229.1846619	5.86
230.3276978	0.49
231.1349182	0.70
237.2083435	0.99
241.3705444	1.26
243.2563477	2.20
244.2827454	0.19
251.3314819	0.54
255.2241211	1.62
257.1869507	0.65
258.759491	0.26
259.379425	0.90
260.5249023	0.20
262.0753784	0.79
263.2615662	2.98
269.2796326	1.30
271.1118469	4.60
273.1098633	1.69
277.2339172	2.07
281.4334106	0.65
283.2640991	0.67
285.3737488	4.12
287.3615112	1.73
293.3710632	0.77
295.2692261	1.27
297.4223328	1.93
299.37323	4.89
301.4154968	2.54
310.6610107	2.76
311.3234863	0.92
313.0773315	3.99
315.3083801	3.63
321.3500366	1.55
323.3987122	3.97
325.3009033	1.96
329.2435303	2.49
339.2402649	100.00
339.8601379	0.95
341.2483826	28.15
341.9072876	2.54
343.0887146	0.34
359.1664429	0.56
360.1359558	0.88
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
174.0139465	0.05
203.0618286	0.20
210.8157654	0.06
217.8823090	0.10
229.0084686	0.07
247.3540192	0.10
255.1969910	1.33
264.9052429	0.27
281.2743530	0.45
293.1813354	0.05
299.2529907	2.12
300.2344971	0.25
311.2558594	0.28
321.9677734	0.07
323.0789185	0.56
325.3579712	0.14
331.2374268	0.33
339.4301147	0.34
341.4796753	0.06
351.3215332	0.06
353.3626099	0.11
355.2675781	0.07
369.3129883	2.00
375.2665405	0.14
386.3743896	0.36
387.4183960	3.51
397.0003052	0.43
398.2479858	0.24
427.2861938	0.75
428.5707397	0.10
433.2221069	0.22
439.1063232	0.06
443.3241577	7.14
444.7009888	0.25
453.2465210	0.39
458.1573486	0.03
459.3970337	0.07
461.3227539	100.00
462.4118652	3.06
469.5004272	0.11
473.5975342	0.05
475.3574829	0.11
477.3971558	0.05
478.0250854	0.09
485.0641479	0.06
487.3195190	1.01
489.7236938	0.06
495.2425537	0.36
502.4508667	0.26
503.4078979	1.25
505.5012207	0.60
511.3333740	0.21
514.2899780	0.29
516.9638672	0.13
517.7920532	0.13
519.3696899	0.14
525.7901001	0.13
528.9260254	0.07
530.3046265	0.21
531.3429565	6.28
532.3569946	0.25
541.9992065	0.04
546.9232178	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	769.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
215.0486755	0.42
219.0482635	0.22
221.0644531	0.46
223.3066254	0.04
225.1922913	0.12
230.9664307	0.71
232.2517395	0.07
233.0776367	1.48
234.1186981	0.15
235.0306244	0.22
237.0697937	0.38
240.8798218	0.39
242.0476074	0.05
242.9988251	0.52
244.1832123	0.23
246.1530151	0.24
247.2544708	0.51
248.1329956	0.15
249.2650604	0.13
250.2372437	0.09
251.0262756	0.53
251.9970093	0.39
253.2202759	0.24
254.2196198	0.07
259.1531982	1.61
260.0962830	0.48
261.2506714	1.05
262.1529236	0.15
264.0133362	0.25
265.0651245	0.11
265.8569641	0.07
267.5766602	0.47
269.4241638	0.12
271.3525085	0.79
272.0859375	0.15
277.1602783	5.06
278.2534180	0.28
279.1362305	0.40
280.0415649	0.69
281.3293762	0.18
284.2046509	0.09
286.0913086	0.26
289.1136169	0.15
295.1435242	2.88
296.1612854	0.12
297.3391724	0.67
298.1271667	0.13
299.1187439	0.92
300.2088928	0.33
301.2146606	0.37
302.3147278	0.12
304.0823364	0.14
305.1690063	0.42
309.2093201	0.32
311.2485962	0.09
313.2886047	0.37
315.0632935	0.12
323.0181885	2.30
324.0701904	0.65
325.1923828	0.97
326.1965332	0.09
327.3597107	0.14
329.0612183	0.09
331.5383301	0.09
339.3305969	0.22
341.1268921	1.29
342.3513794	0.71
343.2231445	1.20
345.3186035	0.09
348.8635254	0.08
350.0904541	0.11
352.9173584	0.21
355.2702637	0.05
357.1340027	0.18
359.2308044	1.08
367.2807617	0.55
368.1770020	0.12
369.1800537	0.09
373.1124878	0.06
376.1525269	0.10
385.2145386	1.91
386.1182861	0.26
387.1853027	2.60
388.2961426	1.60
393.3391724	0.59
394.2827148	0.08
399.4709473	0.12
401.1501465	2.13
402.1331177	0.12
403.1874390	4.27
404.2399292	1.00
405.1071777	1.21
406.2830811	0.52
411.1541138	0.37
413.2357788	0.07
418.3471069	0.12
419.1265869	0.16
421.2404175	1.50
423.0010986	2.87
424.3869019	0.54
429.2358398	14.95
430.3499146	2.98
431.2465210	9.29
432.1494141	2.51
433.0752563	0.20
437.4332275	0.20
447.1511841	21.55
448.2816162	6.81
449.3151245	0.23
450.3778687	0.27
465.1387329	5.93
466.2488403	0.78
491.2694702	0.19
493.4303589	0.15
505.1030273	0.23
511.1467896	4.68
512.2421265	0.93
529.2165527	0.13
537.4171753	0.26
538.3412476	0.09
543.3737793	0.09
555.1983032	5.66
556.1376343	0.75
557.7189331	0.72
558.5608521	0.13
571.4169312	0.06
573.2517700	5.61
574.3232422	1.13
581.2236938	0.36
599.1378784	32.25
600.1793823	9.95
601.1985474	31.10
602.3071289	8.11
617.1809692	100.00
618.2522583	32.52
619.2830811	0.06
642.1591187	0.23
650.7139282	0.15
651.4276733	0.28
653.1586914	0.08
681.2621460	0.14
707.1330566	0.40
725.2652588	14.35
726.2539062	4.20
742.3578491	0.06
751.0625610	0.07
751.7467651	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	402.1831
Annotation	E-4031
Peak:m/z	Relative Intensity
118.8566895	0.57
122.9876556	1.01
123.9874268	0.05
124.9790344	0.10
133.1972046	0.11
135.9351959	0.62
137.0399017	0.19
145.9976501	1.13
147.0245514	1.78
148.0827332	0.13
157.0779877	2.91
158.2526550	0.05
164.9596252	9.17
166.0942688	0.78
167.1499634	0.32
176.8542786	0.11
182.0637207	4.24
185.1071167	13.82
186.0087585	1.00
194.2408752	0.26
195.0816956	0.87
205.1242065	0.25
223.2214050	0.05
231.0982666	1.44
235.3464355	0.28
242.5047913	0.07
247.3082581	0.29
249.2889404	0.09
254.0976562	0.07
255.1524353	0.30
259.0759888	11.65
260.2899780	0.90
261.1936951	0.06
268.3154907	0.57
269.0526123	0.12
271.7078247	0.19
273.1376343	0.07
276.2969971	0.10
286.2105713	1.68
287.1705017	0.73
287.9127502	0.68
289.2420654	0.05
293.0234985	0.51
294.1002808	0.66
296.2324829	0.25
297.3897705	0.12
298.2609863	0.18
303.4627380	0.13
304.2416687	0.56
309.2160645	0.12
310.1605225	3.73
311.6970215	2.99
312.4867554	1.57
316.3057556	0.19
319.0863647	0.74
320.9738464	0.73
322.3175049	0.32
324.5782471	0.93
327.1943970	0.34
330.2564697	2.36
331.2723999	1.34
333.6988831	0.39
336.4964600	0.52
338.3660278	0.35
339.0863647	0.63
341.6405640	0.18
343.5761719	0.42
345.7896118	0.11
349.2570801	0.11
350.3082275	0.24
356.3749084	0.50
357.3114929	0.34
358.8352356	9.41
360.0002136	0.04
361.2077942	1.70
362.1150208	0.15
366.1321106	0.87
367.0464783	0.34
370.6121521	1.89
371.7073669	1.75
372.4287415	0.57
373.1720276	0.17
379.3481750	100.00
380.3222961	5.06
381.1523132	0.13
384.2212524	4.91
385.1970520	2.44
386.9347839	0.64
388.2724609	0.17
393.5334778	14.87
394.3211975	5.24
395.2159729	0.63
398.6384583	0.13
409.5446472	0.18
410.1590271	2.30
410.8778381	0.39
438.1705933	5.29
439.1505432	1.92
439.8616943	0.22
443.1726685	0.44
453.3196716	0.10
459.5312195	0.14
465.1836548	0.67
466.1901245	0.11
474.4836731	0.48
481.6516418	0.23
491.3613892	0.43
491.9699402	0.10
493.3338013	1.95
494.5409241	0.14
495.4075317	0.18
496.9577942	0.16
507.9999390	0.17
509.4181824	0.40
510.3410950	0.12
535.2791138	0.12
536.9906006	0.14
538.2610474	0.89
539.1453247	0.26
549.4756470	0.11
560.3143311	0.30
563.4235840	0.13
573.2484131	1.04
575.2868042	0.53
578.3035889	9.35
579.3587036	1.96
591.1882935	0.96
592.3387451	0.23
594.2461548	0.63
619.2627563	20.27
620.2356567	7.77
621.5585327	1.61
622.2671509	23.28
623.3927002	6.90
624.3492432	0.96
626.8694458	0.06
630.3487549	0.20
639.7664185	0.24
690.6494751	0.72
716.4048462	1.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	650.21
Annotation	Atalanine
Peak:m/z	Relative Intensity
203.0355530	0.06
232.8089447	0.18
253.1504822	0.25
281.1085510	0.06
322.2223511	0.05
323.2269897	0.53
341.1145630	0.77
342.5326538	0.02
357.2831421	0.04
357.9316406	0.07
368.9781494	0.07
377.1289062	0.10
383.2603149	0.61
412.8296509	0.03
425.0551758	0.08
443.1442871	0.18
466.2050171	0.24
467.2835083	0.08
468.9558716	0.02
474.5891113	0.03
485.3467407	0.33
486.2628174	0.06
487.5847778	0.07
503.2508545	100.00
504.2757568	10.97
513.1589355	0.04
517.5957031	0.04
532.8950195	0.08
552.1010132	0.41
559.2272949	0.04
561.0919800	0.15
565.2871704	0.01
589.2169800	0.04
590.1673584	0.03
632.2033081	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	281.2468
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
80.88166809	0.99
82.84886932	1.17
84.98370361	0.18
92.81624603	1.88
94.94325256	2.77
96.92588043	1.34
99.06043243	1.65
104.9116058	0.94
107.0897064	1.53
108.9606934	5.69
111.1015778	0.93
113.0395966	1.78
118.9886322	0.56
121.2555313	0.11
122.9557953	4.71
125.0668488	1.09
126.4821091	0.68
127.1084366	0.28
128.9797058	0.11
133.1022644	1.97
134.9176483	1.41
136.9493103	1.01
138.9983521	2.39
140.9885254	0.70
143.076416	0.74
147.0379028	4.90
148.9768219	4.75
151.0779572	1.35
153.1101074	1.11
155.0668335	3.44
160.9773865	4.96
163.0879669	8.03
165.0582886	3.20
165.9357452	0.21
167.1679993	1.86
169.1256714	6.94
171.1650391	1.22
175.1170502	4.34
177.1803894	1.00
179.231842	0.17
181.2044678	3.42
183.0973206	7.51
185.1791992	3.92
186.3500977	0.56
189.1676788	9.52
190.8527832	0.61
193.1659851	1.57
195.2624207	0.13
197.1360779	4.12
199.1210022	9.13
203.0479736	1.15
205.1437378	5.08
207.1370239	0.40
209.2046509	0.92
211.0588684	5.53
216.6510315	0.93
218.9145813	0.21
220.5896912	0.17
221.2068481	1.25
222.0686035	0.33
223.2934265	7.84
225.2228699	5.04
231.1032104	0.26
233.1833801	1.06
235.312439	1.25
236.229126	0.15
237.1390686	3.94
239.3497009	12.79
242.9799194	1.03
245.2268677	61.86
245.8348083	0.22
249.355835	1.10
250.2565918	3.08
253.1081238	0.42
254.2617798	0.32
256.9815063	0.37
263.2369995	100.00
265.1719971	0.58
272.352356	2.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	600.2933
Annotation	Phoslactomycin A
Peak:m/z	Relative Intensity
179.0490570	0.84
179.9276581	0.03
183.1900787	0.02
187.1763916	0.09
197.0829773	0.04
199.2141266	0.06
200.2995300	0.04
203.1966553	0.12
223.0219574	0.08
225.0631866	0.05
233.1505585	0.13
237.1658783	0.02
239.2529144	0.20
245.3818359	0.24
249.0729218	0.08
257.2313232	0.59
264.9639282	0.02
272.3188477	0.36
274.0025024	0.03
275.2987061	3.97
284.2482300	0.15
290.1749878	0.06
291.0987549	0.15
293.2260742	6.27
295.4369507	0.18
308.0642700	3.91
311.1008606	0.18
316.3094788	0.10
325.4013672	0.02
332.5230713	0.08
333.2172852	0.39
340.3526611	0.08
350.4465942	0.94
351.5339966	0.06
355.2072754	0.04
359.2260742	1.62
366.9769897	0.15
368.2296753	8.75
371.4286499	0.03
378.2632446	0.12
396.1792603	0.06
404.4847412	0.29
410.2692871	0.08
412.0454712	0.08
423.4541016	0.06
425.4891968	0.04
438.1130371	0.03
439.3688965	0.06
451.7730713	0.13
453.3227539	3.16
454.0032959	0.14
471.2389526	100.00
471.9232178	0.13
479.3648071	0.03
488.0125122	0.23
488.6215210	0.23
491.8764038	0.02
495.6406250	0.08
507.8491821	0.09
510.7127686	0.02
511.7759399	0.10
525.4184570	1.45
539.2453003	0.03
541.6553345	0.03
549.3527222	0.03
553.9271851	0.03
555.3175659	0.10
556.7803345	0.07
557.3906860	0.02
565.2612305	0.16
573.4812622	0.05
580.6040649	0.07
582.3724976	15.09
583.4176636	0.67
598.1483765	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	763.1902
Annotation	Pelargonidin 3-(6''-p-coumarylglucoside)-5-(6'''-acetylglucoside)
Peak:m/z	Relative Intensity
221.0827637	0.11
255.2211304	0.09
259.0308838	42.22
316.0816345	0.04
320.9109497	0.11
323.1228638	2.58
341.1821899	2.91
357.2725220	0.25
383.1559448	3.24
399.9165039	0.10
412.7892456	0.16
420.0993652	0.09
421.1305542	0.31
425.1448975	0.66
443.1036377	1.75
454.1450806	0.28
479.9582520	0.37
485.2036743	3.96
503.1677856	2.78
507.8399658	0.15
517.4304199	0.09
525.9860229	0.64
527.0454712	0.60
539.3278809	0.12
545.3779907	5.17
553.4519043	0.45
555.9661255	0.11
556.8436279	0.12
560.6181030	0.51
562.0634155	0.82
565.4486084	0.18
583.2285156	1.26
586.8922729	0.43
587.5119019	0.11
601.3125610	3.00
615.9146729	0.43
617.3840332	0.54
621.6158447	0.06
622.3859863	0.62
627.1705933	0.13
629.1373901	0.39
665.3479614	100.00
689.8892212	0.32
703.1093140	0.25
727.2484741	0.17
745.3551636	14.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	293.1239
Annotation	Ethyl (S)-3-hydroxybutyrate glucoside
Peak:m/z	Relative Intensity
83.0485153	0.16
84.8914032	2.01
86.8909912	0.51
88.9322128	3.81
94.9015198	0.19
96.7578125	0.45
99.0735931	0.58
100.8556595	4.65
107.0007935	0.05
110.6898346	0.22
112.9045868	4.20
114.9509964	0.53
118.9320831	4.60
124.9508514	0.92
126.9257507	1.43
128.0418243	3.80
128.9465637	0.17
130.9760132	100.00
142.9664459	0.97
145.0265350	0.18
146.7661743	0.34
149.1757202	0.08
155.0700531	0.76
161.0824127	0.71
163.7912903	0.17
173.0835571	5.46
179.0004425	2.42
185.1718292	0.66
190.0697327	0.28
195.2763672	0.27
203.1348877	1.10
216.1190186	0.09
217.0216370	0.42
221.1458435	0.35
227.0090637	0.11
233.0361938	0.29
235.1916504	0.29
244.9437256	0.08
246.2593384	0.08
247.2277832	0.48
249.0469360	3.05
250.3674927	0.26
251.2680054	0.33
257.1941528	0.54
258.0556641	0.26
265.1187439	0.17
267.0567932	0.35
275.0289001	3.09
278.4199829	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	288.9363
Annotation	Unknow
Peak:m/z	Relative Intensity
87.0306396	0.07
114.2849121	0.05
114.9408112	0.70
130.9055023	1.93
146.8326111	0.43
159.0216064	8.87
174.9082031	100.00
175.7198486	0.04
199.2369080	0.01
201.0338440	0.03
214.9755859	0.17
227.1454163	0.03
232.8808289	0.18
244.9344788	27.24
259.2859802	0.07
261.0325012	0.39
270.1022949	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	359.0982
Annotation	3-Methoxy-4-hydroxyphenylglycol glucuronide
Peak:m/z	Relative Intensity
123.0671921	0.08
138.2946777	0.04
139.2959595	0.05
143.2173767	0.08
150.9738159	0.24
153.1419983	0.20
166.9231873	0.08
182.0954742	4.35
190.9034424	0.16
197.0337830	100.00
199.2913971	0.06
214.2559814	0.09
223.0770874	0.31
229.1870117	0.08
236.9282227	0.28
239.1699219	0.60
257.3854370	0.04
267.0004578	0.67
269.0875854	0.32
270.9500732	0.08
272.2820129	0.53
278.9086914	0.18
286.0933533	0.22
287.2267456	0.10
295.0614624	0.06
297.2748718	0.13
307.5791016	0.25
311.6541443	0.09
312.9732056	1.11
315.1158447	0.65
323.0375366	0.37
327.1920471	0.06
331.1946411	0.27
339.3056641	0.03
341.0307007	0.20
344.2478943	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	489.1974
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
153.3328552	0.07
161.1531982	0.22
171.1381226	0.21
173.0815735	0.07
179.2152863	0.14
224.9573364	0.15
227.4308624	0.15
237.1238556	1.31
256.0752563	0.30
271.9546204	0.19
277.1260376	0.14
281.1941528	85.13
287.1217651	0.11
291.2338257	0.23
295.3244629	1.54
305.2243042	6.45
306.1623535	0.25
306.9716187	0.10
314.0231934	0.41
321.1961365	0.07
323.1997070	6.48
327.0032959	0.43
327.7481689	0.15
328.4657288	0.10
331.2560120	0.07
335.2184448	0.74
341.3829956	0.15
343.0068665	0.15
347.3892212	0.04
348.7917175	0.13
352.4082642	1.71
353.1923523	6.56
355.4585571	0.08
367.4238892	0.16
370.6981506	0.52
371.9419861	0.07
377.1963806	0.21
380.5184631	0.57
382.9612122	4.00
383.5952454	0.09
386.9635620	0.08
393.1481934	0.14
399.2331848	0.16
401.1011047	0.16
403.2560730	0.89
406.8671570	0.05
408.9249268	0.05
413.2823181	0.79
415.3740540	0.12
425.1350098	1.16
442.9296265	100.00
443.6185608	1.22
445.3572693	0.53
445.9900208	0.28
451.5520325	0.07
453.1369324	0.36
458.1918640	0.38
459.4762268	0.18
467.5754700	0.62
468.1839905	1.44
469.1194153	0.49
470.0778503	0.23
471.1264954	1.70
471.8796692	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
84.9910202	0.09
90.89191437	0.16
93.09228516	0.05
94.99888611	0.63
97.12742615	0.18
98.92830658	0.22
102.6605988	0.16
107.0268173	0.06
109.0573502	0.53
111.9661865	0.33
112.9067841	0.38
119.0289154	0.31
120.9491882	0.21
123.0013351	1.66
124.9966888	0.33
126.7854156	0.33
133.0513	0.11
135.14151	0.65
137.2234497	0.78
138.9648743	2.97
140.8721008	0.47
142.8516235	0.50
145.2153015	0.08
147.1357117	0.51
148.9584351	0.38
151.0250549	0.27
153.0308533	1.76
154.1096191	0.15
154.90448	0.75
157.1287079	0.24
161.1800842	0.59
163.4798889	0.13
165.1649475	0.27
167.184494	0.31
167.9642944	0.08
169.0686951	1.47
171.1602783	0.43
173.0959778	0.18
175.1486511	0.83
177.2945251	0.13
179.2545624	1.04
180.9933167	0.26
183.1651306	2.75
185.2862091	0.92
186.9479675	0.28
188.9295349	0.12
193.343338	0.47
195.0510559	0.37
197.0261841	5.38
199.0256042	1.11
201.1381531	0.11
203.0994568	1.95
207.1835632	0.13
209.023468	0.66
211.1417847	2.22
213.322937	0.18
215.2358093	0.93
219.2138367	0.69
220.1523438	0.04
221.21521	5.03
223.0096436	1.15
225.1807251	0.68
227.1347961	0.66
229.0482788	0.48
233.2967529	0.94
233.9498596	0.19
235.1508484	0.53
237.1641541	6.37
239.1539307	18.39
239.7845764	0.03
241.1026306	0.17
243.3046265	1.10
251.211792	2.52
253.2954712	1.13
255.0324707	3.54
257.1477356	1.74
259.3154907	0.13
261.1803894	4.58
263.1002502	0.12
269.068512	0.27
270.9307251	0.12
277.1685791	0.23
279.2246094	100.00
280.0978088	0.17
287.8668823	0.29
295.0578003	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	419.9784
Annotation	Unknow
Peak:m/z	Relative Intensity
122.8044052	0.08
126.2228012	0.07
159.1994019	0.13
164.8888702	0.07
168.9996643	0.11
182.9053955	0.08
185.1326447	0.24
193.0346680	0.39
193.9489746	0.16
209.9504700	0.25
213.2260132	0.45
223.2060852	0.28
238.0267029	10.34
239.0846863	10.05
240.3280334	0.21
241.0883179	0.61
243.4225769	0.39
245.2149963	0.18
255.1132507	0.39
257.2992859	0.64
259.7531433	0.24
263.0392456	0.10
266.0624695	0.13
267.1387634	1.17
268.1813354	11.53
269.0119324	33.46
270.0147705	2.37
272.1736450	0.47
273.1946411	0.06
274.5595398	0.19
276.0104370	27.42
277.0817261	7.51
277.9835815	1.06
283.2089844	0.08
285.1403809	0.12
285.8801880	0.55
288.0208130	0.13
289.0464172	0.13
290.1292725	0.17
295.4831848	0.07
302.1771545	0.49
304.0087280	9.34
304.8907471	2.21
305.7351990	0.13
316.0537109	0.29
321.0579529	0.12
330.1482544	0.09
331.9503784	8.99
333.1390076	8.23
333.9349976	0.59
335.2439880	0.19
336.1214600	1.62
343.0377197	0.09
344.1379395	0.11
347.0782471	0.39
348.2514038	0.83
349.1929932	1.70
349.9294128	0.22
358.2093506	0.23
359.4157410	1.92
360.0355530	22.85
361.0941162	23.01
362.0614929	3.63
363.1642761	8.10
364.1166382	4.04
370.8694763	0.35
373.1916504	0.71
374.3530884	0.86
375.1985779	1.86
376.2166748	0.94
377.1480408	8.06
378.0630493	1.18
383.3071289	0.52
387.0226440	0.41
388.1731567	1.46
389.0198975	0.27
391.0516357	100.00
392.0827026	26.10
393.1515808	2.45
400.5607605	0.61
401.3699646	1.52
402.1638184	0.24
403.4845886	0.20
404.2058716	0.35
405.1386414	4.47
406.2066650	1.48
419.3227234	1.15
420.1391296	14.88
421.0555115	1.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	754.4167
Annotation	Vindesine
Peak:m/z	Relative Intensity
218.9248962	0.07
264.2196655	0.39
266.9071960	0.26
313.0617065	0.09
338.3070068	1.51
345.2029419	0.39
356.2653809	0.23
369.2545166	0.39
389.4036255	0.09
398.3991089	0.48
406.3054199	0.39
427.0918579	0.13
449.3669434	0.24
455.4591675	0.25
470.2481079	0.19
472.2000122	0.09
495.7748413	0.11
499.0505371	0.29
500.2976685	0.15
509.4294434	0.26
515.7734375	0.39
517.3472900	0.47
521.4659424	0.23
524.1793213	0.34
525.4738159	0.35
529.6408081	0.50
554.2905884	0.29
555.3677368	0.36
556.5707397	0.22
571.8673706	0.22
574.3895264	9.85
574.9907837	0.21
576.5588379	0.29
588.4442139	0.29
592.3549194	100.00
593.0138550	0.93
595.2705688	0.42
607.9808350	0.17
622.2488403	0.63
634.0386963	0.21
639.8301392	0.11
655.5411987	0.52
658.6378784	0.81
667.6638794	0.16
669.2266235	0.09
671.3682861	0.38
673.6705933	0.36
681.2117310	0.33
687.5164185	0.35
697.9317017	0.48
707.3742065	0.25
711.5998535	0.19
712.7040405	0.14
713.3132935	0.69
714.5485229	0.34
717.7045288	0.53
718.3865356	0.11
719.5006714	0.22
720.3960571	0.39
722.7600098	0.16
735.6920776	1.54
736.4323730	2.33
737.3237915	0.33
744.3428345	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	452.28
Annotation	PE(16:1(9Z)/0:0)
Peak:m/z	Relative Intensity
154.9524231	0.03
197.9803619	0.24
216.1250916	0.72
237.3710327	0.38
240.9768677	0.03
279.0060730	0.26
280.2948914	1.01
293.2969055	0.18
311.3079834	37.66
325.2186584	0.07
354.4655762	0.09
355.5401611	0.05
362.4213257	0.05
386.9831848	0.10
389.3939514	0.15
391.2414246	5.04
394.3256226	0.13
406.2619934	0.18
409.1561584	0.15
416.2054749	0.12
434.2283936	100.00
435.3218384	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.9403076	0.38
109.0818024	1.35
116.9276199	0.11
121.0559006	1.11
123.0581665	1.24
125.3028107	0.24
129.0413971	0.31
130.9275513	0.52
132.9263306	0.54
135.1322327	1.73
142.9668427	0.59
147.0454102	1.48
148.9242249	1.01
149.6101379	0.07
151.1701355	0.39
156.859787	1.27
159.0114136	0.39
160.8186951	0.87
163.2605591	0.75
165.0177612	0.38
166.8672485	0.25
169.2400818	0.59
170.9717255	0.13
173.0462646	0.80
174.9764404	0.55
177.0972443	1.09
179.3323975	0.15
179.9564514	0.08
181.0545349	0.98
182.9267883	0.98
186.2164917	0.09
186.9092255	0.39
189.1404114	0.20
191.1824799	0.43
192.4597168	0.23
193.2181244	0.48
194.2214355	0.07
197.0089417	0.32
199.1412964	0.21
200.0310364	0.59
201.0807648	0.13
203.0871887	1.30
205.1463623	0.56
207.0585632	0.10
208.737793	0.85
209.3477173	0.16
210.7114258	1.18
211.5130005	0.81
213.1800537	0.21
215.1101074	0.88
217.1880798	0.59
219.6464539	0.11
223.4251404	0.81
225.4217529	0.12
227.2628784	0.18
231.1262817	0.52
234.996521	0.31
239.3251343	0.34
243.0901184	0.37
245.2000122	1.93
247.3171997	4.30
251.0916138	0.45
253.3709717	0.45
254.1143188	0.08
255.0863647	0.18
256.8147583	0.17
259.1893311	0.89
260.3369751	0.31
263.121582	0.59
267.3974304	0.43
269.1847229	0.06
273.0795898	0.11
277.0252075	0.29
279.37677	0.93
279.9940796	0.15
281.14151	1.66
282.0753479	0.86
283.1887207	1.12
285.34198	0.68
295.2571106	1.52
296.553833	0.43
297.2324829	0.08
299.2528992	2.58
300.1583862	0.73
303.135498	0.13
305.3983765	3.56
308.8551941	0.47
312.1185913	0.65
313.2111206	1.23
321.4811096	0.22
323.2476807	100.00
323.9705505	0.53
331.7116394	0.59
332.3994751	0.69
334.7202759	0.61
339.4434509	0.36
341.0457458	1.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2499
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
99.07305145	0.63
106.9234161	0.53
109.0689545	0.93
110.7939377	0.30
116.9255981	2.69
119.0106049	0.42
121.11483	4.67
131.0342102	2.15
132.8191223	1.00
134.062439	0.16
135.0454407	1.93
136.9732819	2.51
140.9346008	0.68
143.0523376	3.60
143.9711914	0.70
149.0789032	2.61
151.1883392	0.11
154.8953552	0.81
157.0335693	1.90
159.0024567	2.44
163.1080627	0.30
165.0369568	0.72
169.1143188	4.84
171.1470032	0.53
173.0685272	5.41
177.1157227	0.94
179.1924591	0.70
180.3332367	0.31
183.1664124	1.32
187.0711975	2.56
189.2111206	0.45
191.2967682	0.89
192.9429626	1.02
195.087677	0.38
201.2144775	1.24
202.987915	0.67
205.1058807	1.92
209.1340332	0.44
210.9736328	6.39
213.1413879	1.94
214.358551	0.75
217.2804871	0.12
219.1781006	0.20
221.1546326	1.03
223.3241272	1.72
224.980835	0.17
231.2575073	1.16
233.1000366	1.46
238.2718506	0.30
241.2141418	0.33
243.0466614	0.68
244.9083557	2.92
247.2469482	7.86
248.9662476	0.24
251.317749	2.33
256.4237976	0.43
259.2094116	1.58
265.3373108	0.38
269.4499817	0.33
273.0630493	0.79
277.188446	2.56
279.3115845	0.78
283.4180908	0.57
285.1030884	1.50
287.2753906	1.53
291.144104	0.38
295.2024536	3.97
296.0769043	0.85
298.3216858	0.34
299.4776001	1.42
303.5700989	0.62
305.335968	5.71
306.5096436	0.21
307.2831726	0.68
313.2578125	2.39
323.2307129	100.00
323.9273682	0.55
324.5715027	0.88
325.4082642	0.59
332.3835449	0.39
341.2049866	2.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	359.1
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
121.6877899	0.30
138.0504303	0.43
143.2418518	0.29
153.0409546	0.51
163.8488464	0.14
166.8821716	0.11
168.9311218	0.22
178.9597473	0.63
181.0565491	0.17
182.0675659	3.96
191.1250916	0.16
192.2208862	0.69
197.0457458	100.00
210.1932068	0.23
213.1421204	0.86
223.1168518	0.28
227.1659851	0.49
228.0252075	0.14
231.061676	0.17
233.2010193	0.11
238.0486755	0.46
239.0435791	0.75
241.224823	0.11
243.315918	0.11
269.3111267	0.10
287.2173462	0.24
296.9562378	0.47
301.5596619	0.34
310.2199097	0.10
311.4708557	0.11
313.197876	1.38
315.0029297	0.92
317.3309021	0.11
321.3461304	1.27
326.9442139	0.34
329.3762817	0.88
338.7067871	0.24
341.2732849	1.31
342.033783	0.23
344.2542419	0.25
359.0221252	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	748.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
214.1372375	0.14
215.8432007	0.12
227.9740448	0.39
229.9407501	0.43
231.9217224	0.06
242.0243225	0.30
243.3432922	0.29
244.0987244	0.11
244.9951935	0.10
254.0803833	0.21
256.0052795	0.16
257.2963257	0.09
257.9504089	0.09
261.8211060	0.10
269.8571167	0.10
272.1009216	3.45
272.8923035	0.11
273.9704895	0.11
286.0173035	2.13
287.0647278	0.70
290.0469360	0.31
298.5122375	0.07
300.0348511	0.44
302.1320190	0.05
302.9127808	0.04
304.0711670	0.10
307.4801636	0.26
313.5520630	0.03
316.0137329	7.58
317.9710693	0.28
319.8244629	0.32
328.9733887	0.06
334.0021973	0.89
346.0524902	7.78
347.1448364	0.76
353.0888977	0.05
362.1923828	0.27
376.1260986	0.17
388.2259521	0.10
404.1490479	1.66
405.9989624	100.00
406.9515991	0.02
408.9950562	0.32
423.0089722	0.13
452.4207153	0.18
466.1450806	0.57
468.3623047	0.10
482.1940308	0.71
496.2510986	0.10
498.2830200	0.09
519.4288330	0.10
552.4862061	0.07
554.0791016	0.28
556.2362671	0.09
557.4011841	0.11
568.1449585	5.36
574.0101929	0.13
577.1749268	0.25
584.2960815	0.24
584.9224854	0.20
586.1458130	1.72
599.1593628	0.10
628.2693481	0.40
648.4077759	0.11
657.5404053	0.97
658.1981812	5.72
658.8412476	0.03
688.2636108	0.59
729.3814087	0.45
730.2424927	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
172.9360809	100.00
264.0323486	0.50
335.0978394	1.88
338.4121704	0.83
341.1206665	5.92
353.1372681	1.17
425.0238647	0.54
439.2234497	0.59
453.1596680	1.70
455.0092163	0.77
479.1900024	5.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	644.96
Annotation	Unknow
Peak:m/z	Relative Intensity
192.9002533	0.02
219.1707916	0.02
223.3270721	0.07
255.3509216	0.06
269.0949097	0.02
275.3146667	0.06
281.1962891	0.14
300.0933533	0.05
314.1051025	0.05
315.0586548	0.07
319.1004944	0.03
341.2020264	0.04
344.4176636	0.07
367.5822754	0.01
373.0175171	0.03
375.3044434	0.03
381.1945801	0.14
388.2043457	0.12
389.3914795	0.10
390.4567871	0.07
398.1845703	0.07
406.3439941	0.01
432.8819580	0.18
438.4296875	0.03
447.3765259	0.02
449.3036499	0.04
454.5695190	0.10
457.6923828	0.04
470.5484619	0.06
482.4618530	0.10
487.4957275	0.02
500.1790161	0.03
524.6006470	0.04
556.7804565	0.04
557.5286255	0.04
568.3458862	0.06
575.3081055	0.02
576.4822998	0.08
581.0282593	100.00
581.6707153	0.12
585.6671753	0.04
598.5194702	0.73
600.5988159	0.91
601.2950439	0.52
603.7509155	0.07
605.9942627	0.02
608.2511597	0.19
624.4472046	0.03
625.1555176	0.03
626.4155273	0.55
627.1069336	0.16
628.0214233	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	507.2083
Annotation	6-O-Oleuropeoylsucrose
Peak:m/z	Relative Intensity
149.0951996	0.46
167.1741028	1.94
168.8716736	0.06
191.0760193	0.78
193.1352539	0.06
209.2365112	0.37
214.9534912	0.07
220.7443542	0.93
237.3781738	0.24
239.0239868	0.19
243.3392334	0.06
245.1548157	0.16
251.2514648	0.21
262.1448364	0.11
267.4697266	0.04
275.0734558	0.22
278.8905945	0.24
293.1748962	17.12
293.9374084	0.14
295.5374451	0.08
299.0693054	1.30
303.2994995	0.09
310.9721680	0.27
317.0333862	0.26
325.4718018	0.20
336.2568054	0.11
339.1852417	9.56
341.1771545	0.52
345.2746582	0.19
359.0015259	0.37
363.3124390	0.11
370.7387695	0.40
373.1018677	0.13
386.2685242	0.23
386.9837952	0.23
389.1415100	1.49
391.3827820	0.15
396.5144348	0.06
400.3727417	0.45
401.2080383	0.32
411.0021362	0.18
417.2025452	0.09
418.1678162	0.17
421.2455139	0.09
431.5563660	0.06
434.2283630	0.09
435.1176453	0.19
443.4866028	0.13
447.3187561	0.20
449.2312927	0.19
461.1489563	100.00
461.8829346	0.84
463.2571106	1.33
465.3200989	0.24
471.1494751	0.14
479.0828247	0.48
486.1871033	0.38
487.5818787	0.11
489.1874084	1.17
489.8414612	0.22
491.9119263	0.06
497.2388611	0.44
505.4575806	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.2238
Annotation	Linalool 3,7-oxide beta-primeveroside
Peak:m/z	Relative Intensity
142.9614716	0.03
144.9816437	0.04
148.9944611	3.91
155.1183624	0.02
161.0010223	0.34
167.2135925	0.09
172.1192017	0.08
179.0273743	0.03
190.4735260	0.04
191.1018677	1.22
218.6405945	0.04
220.1318207	0.42
220.9606781	3.02
238.3058472	0.17
239.0092010	0.15
241.1097107	0.03
249.4854431	0.08
250.8263550	2.25
251.4662323	0.11
259.2632446	0.06
263.0718079	0.10
265.5436401	0.03
272.2630920	0.15
274.8842773	0.63
281.1633911	0.21
285.2797241	0.04
286.1469727	0.06
288.0613098	0.02
293.1730347	1.37
305.4085693	0.03
310.4871826	0.80
311.1010742	4.77
317.0890503	0.02
319.4821777	0.03
329.3856201	0.19
331.2727051	6.33
341.4341431	0.04
343.1059570	0.04
346.4445801	0.16
347.2435303	0.37
365.2195435	0.17
389.0096436	0.04
418.1725464	0.07
429.0465698	0.08
431.3612671	0.04
433.1744385	0.15
440.2781372	0.07
440.9628906	0.04
445.1597900	0.02
449.5512085	0.05
455.4182129	0.05
461.6603394	0.09
463.1920166	100.00
463.8347168	0.13
465.0834961	0.22
471.1921387	0.02
472.2553101	0.02
488.1184082	0.03
491.2491455	0.24
491.9642944	0.11
494.1628418	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	209.0667
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
69.0286102	0.54
70.8943405	1.34
82.9192810	1.80
84.8699570	10.81
86.9806824	11.87
88.8991547	1.44
97.0024262	2.72
98.9139862	4.06
100.0939636	0.07
100.9710999	0.30
102.9199371	0.04
110.9120331	10.10
112.9252319	0.35
114.7492218	3.10
117.3226624	0.04
123.2216492	0.15
128.9827881	100.00
131.0117798	0.11
136.9281769	0.31
141.0162048	8.14
144.5311584	0.14
145.1605225	0.12
149.2906952	0.04
159.0643463	46.89
162.8252411	0.56
165.1284027	0.18
173.0864410	0.17
177.0307159	0.68
191.0124512	2.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.2237
Annotation	Linalool 3,7-oxide beta-primeveroside
Peak:m/z	Relative Intensity
148.9299927	1.74
161.1186066	0.06
172.8249817	0.02
178.8408051	0.38
191.0732880	0.57
203.2702637	0.10
207.2020569	0.03
218.7804871	0.17
220.8068390	2.03
231.2440796	0.18
238.8469238	0.22
250.3845367	0.04
251.0453339	0.85
259.8999634	0.09
261.2160034	0.11
262.9500122	0.05
275.0032349	0.03
281.0800171	0.20
285.2821655	0.10
286.3360596	0.10
289.2205200	0.12
293.0018921	1.17
303.2657471	0.23
310.0299072	0.09
311.0270386	2.93
319.3588867	0.09
326.4615479	0.03
327.1739502	0.15
329.2947998	0.64
331.2193604	4.42
331.9674683	0.02
342.6900024	0.21
343.4317627	0.01
346.3961182	0.21
347.4290161	0.50
357.1741333	0.04
361.3085938	0.04
377.3487549	0.03
379.6617432	0.10
387.1207886	0.14
388.3757324	0.06
389.3653564	0.13
395.1857300	0.03
402.5262451	0.06
403.4630737	0.02
413.1452026	0.05
419.3070068	0.68
420.3736572	0.07
422.5159912	0.03
429.4244385	0.10
431.2593384	0.05
435.3607178	0.04
436.8781738	0.12
440.9910889	0.16
449.3425903	0.36
461.2725220	2.30
463.2092896	100.00
463.9772339	0.49
464.9938965	0.28
465.9287109	0.04
472.5772705	0.06
473.5608521	0.14
477.1396484	0.52
478.2254028	0.13
479.0207520	0.05
481.2224731	0.05
488.9237061	0.25
489.5416870	0.04
490.7874756	0.11
491.4210815	0.26
492.1353760	0.06
499.8750610	0.12
509.5046997	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	313.0927
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
94.95275879	0.18
99.03303528	0.36
101.0229721	0.43
106.9618835	2.92
108.9234009	0.10
112.9214325	0.45
124.9113922	0.13
138.7952271	0.54
143.1018372	0.24
151.0319672	100.00
157.1630249	0.48
159.1184082	0.61
161.0040436	8.22
162.8811951	0.20
164.9161224	0.41
168.89711	0.49
173.1109314	0.51
175.0009766	1.98
179.0030823	0.09
183.0011597	0.27
183.9043579	0.17
187.0183411	0.15
190.9328613	0.65
193.1406097	1.73
205.0076294	0.21
217.1357727	1.54
220.3482056	0.08
220.9788208	0.24
223.0328674	0.95
228.3023682	0.37
234.9703064	0.56
240.9332581	0.62
243.1616821	0.10
249.0661011	0.17
251.2400513	0.28
253.0994263	1.65
266.5758057	0.37
267.2235718	0.51
268.530365	1.49
269.4656677	0.82
277.3679504	0.23
281.1543579	0.07
283.1973877	0.29
285.1108398	0.19
286.0523071	0.23
293.2805176	0.32
295.0257568	3.28
297.1196594	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.0716
Annotation	Gerfelin
Peak:m/z	Relative Intensity
82.9916916	0.06
92.9489746	0.07
94.8900604	0.02
97.0328064	0.19
99.0915604	0.04
107.1019592	0.04
107.9552536	0.06
108.9774780	0.76
120.8349304	0.01
123.1173630	0.41
124.9010544	1.90
134.9497833	0.54
136.9120789	2.63
139.0816345	0.27
143.0879211	0.05
145.2044373	0.12
145.8768311	0.05
146.6443481	0.13
149.0906372	0.25
151.0415649	0.94
159.1034088	0.75
161.0921783	1.60
161.8975525	0.07
163.1090851	0.14
164.1738586	1.06
165.0128632	2.58
166.1062469	0.10
167.0823059	1.43
173.1639252	0.14
174.0960541	0.11
175.0644989	0.85
179.0010071	11.23
180.0080566	0.16
185.0736694	0.23
186.2138977	0.96
187.0259705	1.18
188.0185394	1.23
189.2342834	0.07
191.0578918	0.19
197.3266907	0.05
199.1229858	0.11
201.2117004	0.50
202.0619507	0.19
203.0784912	7.99
205.1308899	35.91
212.2080383	0.28
217.1054993	1.07
220.7912292	0.16
227.0467834	1.40
229.1743164	0.40
230.0093079	0.25
231.0163879	7.42
243.3284912	0.08
245.1108093	100.00
247.0469360	6.59
271.0599976	5.39
274.2333374	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
119.2350388	0.05
137.0817719	0.13
138.210022	0.03
141.1662292	0.06
153.2192841	0.03
158.9888916	0.14
161.2350464	0.29
179.0112915	0.06
180.1969299	0.03
181.1250763	0.14
182.0111084	0.19
191.1658936	0.06
197.1130981	15.74
198.1862183	7.78
205.0643463	0.10
206.0336304	0.07
221.6590424	0.08
223.0321045	0.37
224.1373291	0.09
228.250885	0.18
237.2582397	0.07
238.3269653	0.19
239.125946	0.03
241.1168213	100.00
242.1084595	45.90
243.1855774	0.16
247.3249207	0.05
251.2513123	0.05
255.2490845	0.06
277.2826538	0.14
283.1957703	0.55
284.4432373	0.45
285.124939	0.23
287.0527954	0.11
296.2418213	0.18
298.7995605	0.08
301.510437	0.08
306.253418	0.12
308.2512817	0.11
309.1859741	0.15
310.8982239	0.17
313.1034241	0.48
314.262146	0.15
316.2506104	0.46
323.165741	0.05
328.2721252	0.05
329.7792358	0.04
331.7038574	0.10
334.1987305	0.04
341.3941345	0.06
343.1558228	2.55
344.258667	1.57
349.3387756	0.09
355.3092041	0.05
357.6492615	0.25
359.0000916	0.23
360.0304871	0.16
361.504425	0.14
363.1338501	0.17
364.3504333	0.30
366.1472778	0.13
367.1916809	0.07
368.4726562	0.06
369.1156311	0.03
373.1965942	0.18
376.3108521	0.07
378.0827942	0.18
381.6521912	0.16
384.0256042	0.21
385.2989197	1.22
386.2410583	0.58
386.9596252	0.27
390.4708862	0.09
395.1177368	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	371.0981
Annotation	6-O-p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
118.9324112	0.89
150.0105286	0.34
162.9851990	67.31
164.0166931	0.03
165.3792419	0.02
167.0763855	0.06
167.8532410	0.03
191.1304321	0.02
204.0421143	0.03
205.2090302	0.11
206.9980164	0.06
209.3375397	0.27
215.4358826	0.10
225.2017517	0.04
229.2643738	0.04
231.1819153	0.08
243.1964111	0.02
247.0287781	0.32
251.2936401	0.05
265.3835449	0.04
266.1557007	0.06
275.2877197	0.16
277.1508789	0.03
279.0353699	0.05
281.1578979	0.23
288.5250854	0.10
290.4152832	0.08
295.1851196	0.10
297.3176880	0.06
299.2456665	0.26
306.8540039	0.03
308.3312073	0.07
311.3059082	0.06
313.0934753	0.27
321.8922729	0.02
325.0744019	100.00
325.6774902	0.42
327.0130615	0.29
335.2509155	0.03
335.9613037	0.04
340.4258423	0.16
342.3663330	0.26
352.3584900	0.02
353.2280579	0.40
354.4249573	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	755.1094
Annotation	Verticillin D
Peak:m/z	Relative Intensity
215.1339111	0.08
225.2112427	0.09
233.0399323	0.05
235.0903625	0.18
243.0149841	0.03
251.4017639	0.04
259.0562134	0.07
269.1308899	0.24
277.4053955	0.04
285.7933350	0.11
287.1677856	0.57
295.2553711	0.23
299.1271362	0.09
300.0377808	0.06
311.3535767	0.05
313.2201843	0.08
319.3488159	0.08
321.1166992	0.07
339.2227173	0.05
343.2230835	0.08
353.1839600	0.06
359.2389526	0.11
362.2665405	0.06
371.0799561	1.31
373.3052979	0.07
389.2521973	0.10
390.9703369	0.05
400.3215942	0.04
403.2837524	0.25
406.3743896	0.05
415.2223511	2.51
416.3856812	0.16
417.2243652	0.28
421.0216064	0.15
433.1407471	8.03
447.4633179	0.10
451.1317139	0.14
465.2412720	0.20
467.2624512	0.11
490.2376709	0.07
497.6967773	0.08
513.4294434	0.08
520.4012451	0.05
522.7940674	0.10
523.3957520	0.35
531.4356689	0.07
532.3153687	0.10
541.2958374	26.28
542.2014771	0.16
574.8691406	0.21
580.1879272	0.05
585.1383667	100.00
585.7594604	0.32
586.4477539	0.08
587.1209717	0.04
593.2499390	0.13
594.6353149	0.07
602.0074463	0.38
603.2024536	38.20
604.1138306	0.05
615.2858276	0.11
617.1110229	0.14
678.4498901	1.19
679.3145142	0.44
694.0842896	0.06
704.7446289	0.04
710.2112427	0.16
711.4197388	0.20
718.1128540	0.09
724.4501343	0.50
731.0703125	0.10
737.5938110	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
80.80471039	0.64
97.08430481	3.65
103.0377197	0.76
109.0582886	2.92
119.2092285	3.27
121.1422119	6.24
123.0769348	5.94
124.9454651	0.47
127.0582275	3.69
128.9192505	8.89
133.4460754	3.44
135.1439667	4.98
137.0962982	3.35
139.1033936	1.04
141.0834198	3.10
144.9732666	0.75
149.102066	0.35
151.0368958	72.68
152.1037445	3.84
154.0140839	1.97
155.0654449	4.89
160.9880524	7.97
164.9998932	2.62
167.1769562	3.79
169.0152893	1.92
170.9815521	5.89
175.1314545	0.69
176.9306488	2.56
179.270462	11.76
182.1173248	6.99
185.0643158	1.78
193.0512695	8.40
194.0491638	0.52
195.1345062	7.48
197.0781403	13.28
199.1801758	0.52
207.2779541	9.22
209.2195892	2.83
210.8747559	4.08
217.2223358	15.98
219.3764191	1.16
225.1264954	19.50
225.9675293	1.59
231.8948212	2.81
234.0146027	4.03
235.1688385	73.37
237.0525513	1.57
238.2051392	13.86
239.0877533	6.56
243.7520142	8.81
251.102417	1.91
251.9732513	1.12
253.0934296	100.00
253.9462433	7.31
254.631485	3.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	562.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
186.0216522	0.06
199.2835388	0.09
215.6194458	0.02
217.0242157	0.02
231.0360107	0.02
233.1723633	0.09
240.1977234	0.03
277.3269043	1.89
280.0141602	0.04
305.5134888	0.02
343.2453003	0.03
363.8472290	0.05
391.1428833	0.02
404.3987427	0.03
405.0944824	0.05
459.9359131	0.08
466.5199585	0.03
472.4098511	0.03
487.3757935	0.09
497.2482910	0.02
502.3410645	100.00
503.1791992	0.54
507.7940674	0.02
515.7326050	0.34
518.3989258	0.02
519.6889038	0.07
543.4976807	0.07
545.2952881	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
130.9704590	0.14
143.0251465	0.30
149.0570831	0.13
161.1250458	0.29
164.2140503	0.19
166.9119110	0.15
169.2025757	0.18
197.1558228	14.81
199.0088806	0.08
203.3319092	0.43
204.2312164	0.06
205.0636597	0.09
221.0260315	0.04
223.1820221	1.58
239.0152283	0.05
241.0821228	100.00
243.1872253	0.07
251.2341309	0.10
257.9476624	0.10
260.9892578	0.15
265.2271729	0.11
267.2265015	0.05
268.9745178	0.06
275.2129822	0.42
276.7218933	0.08
281.1801758	0.13
283.0505066	1.17
289.0790100	0.20
292.9130249	0.17
300.9647827	0.12
305.4311523	0.10
307.2629395	0.31
308.9269409	0.07
311.0545044	0.08
313.0682373	2.51
313.6914673	0.15
314.3308105	0.28
315.1400452	0.23
323.0270691	0.16
325.1219482	0.65
330.2808838	0.68
331.1468811	0.53
343.1999207	4.05
356.5847778	0.65
357.3447571	0.78
359.3168335	0.73
360.0697021	0.09
361.3408203	0.29
365.4174194	0.57
366.1988525	0.06
367.0315247	0.04
371.6550293	0.21
373.2501831	0.25
384.5896301	0.42
385.2544861	2.64
388.3896179	0.04
389.3391418	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.1386
Annotation	X 14847
Peak:m/z	Relative Intensity
96.9922943	0.07
116.9087753	0.17
125.9237518	0.52
126.9751129	0.31
131.1434174	0.14
132.2144318	0.20
132.8454590	0.08
143.9743347	2.04
145.1405792	0.26
147.1982422	0.08
153.9008484	0.08
161.9778748	100.00
162.6475830	0.63
168.9762268	0.08
193.1826172	0.06
203.2634888	0.14
211.0724182	0.40
212.0566711	0.09
217.1712341	0.03
221.9974976	0.07
234.1268005	0.09
235.2559204	0.08
250.6900940	0.22
252.0319214	0.15
270.9153748	0.20
281.2525635	0.07
282.3403015	0.23
283.2434082	0.21
285.0953979	0.37
288.8728027	0.24
297.4743042	0.09
298.2268982	0.14
303.0212402	0.11
307.0461426	1.97
312.8273926	0.19
313.9858398	0.22
319.3854675	0.35
321.0189819	0.22
323.1124878	0.26
324.3115234	0.26
325.1806030	0.29
328.0514526	0.23
332.6665039	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.6411591	0.17
108.8764038	0.18
121.0790863	1.92
122.877739	0.87
124.8631897	0.38
129.1817932	0.98
130.9560852	0.15
132.8209229	0.51
135.2181702	2.67
137.1548309	0.27
140.9866486	0.15
147.0024261	2.22
149.0595703	2.53
150.8371277	0.84
152.6370544	0.22
153.8725891	0.37
157.0838623	1.19
159.2999878	0.92
161.0099792	2.68
163.0365906	0.28
165.1174927	1.09
166.1737976	0.59
167.0920715	1.01
168.9522858	0.57
173.131485	0.31
175.0989532	5.95
177.1522827	0.61
182.0531311	0.68
184.6659698	0.24
187.0405426	0.52
189.1912079	0.52
191.0371704	0.62
193.1530304	0.32
197.003067	1.71
199.0863953	0.49
201.1064911	0.51
203.2106781	2.26
209.3956299	0.67
210.9790955	1.14
213.2610779	0.41
215.023407	0.77
216.888092	1.91
222.4882202	0.30
223.2828979	0.99
225.1677856	0.16
226.7719727	0.44
227.4413452	0.54
228.8701172	0.86
231.2134705	1.80
234.1282654	0.18
235.3213806	0.57
238.9277344	0.22
241.1304016	0.15
245.0665283	2.36
247.268158	6.15
248.9842224	0.34
251.2409668	0.26
252.9154663	0.81
259.1221313	0.15
261.1189575	0.49
263.4231873	0.42
267.2349548	0.88
269.0793457	0.77
270.5721436	0.96
271.333252	0.93
277.1240845	0.43
281.1896973	2.34
283.0805664	1.38
284.2210083	0.28
285.1777649	0.55
286.6380005	0.58
294.1408691	0.29
295.0776367	1.00
298.1826782	0.25
299.2287292	1.77
300.0653687	0.20
305.3806763	3.01
307.2536011	0.21
313.3894348	4.11
317.0408325	0.27
323.2331238	100.00
323.914093	0.75
325.5115662	0.57
341.3116455	4.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	639.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
182.9710083	0.50
216.9046631	0.13
288.2930908	0.07
302.1578064	0.23
310.0189209	0.02
331.0766602	0.06
334.1114807	0.11
335.0836182	22.98
335.6964722	0.17
455.0820312	5.20
457.4721680	0.06
466.0977173	0.02
466.9880371	0.22
476.3265991	0.05
479.5590210	0.05
481.3143921	0.08
486.9150391	100.00
487.5958252	0.35
512.9055786	0.04
539.6907959	0.10
541.2343140	0.03
543.4556885	0.05
551.3779297	0.10
562.4432983	0.17
563.3016968	0.78
564.1989746	0.03
571.2822876	0.11
575.9058228	0.09
577.3224487	0.07
592.6576538	0.15
593.4697266	0.17
594.5031128	0.14
595.3189697	0.03
602.1972656	0.48
606.1713257	0.13
608.3461914	0.06
619.1328735	0.04
620.9998169	0.03
624.0658569	0.49
629.6823730	0.21
630.8282471	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	551.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0566711	0.34
177.2801361	0.07
190.9274902	0.11
207.0948029	0.17
209.0473633	100.00
223.8310699	0.02
323.0872192	0.02
324.1608276	0.03
325.3577271	0.05
475.1435547	0.02
504.3618164	0.02
505.3818970	0.07
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
130.3123779	3.19
137.2275391	0.61
148.8894958	0.57
159.7906342	0.53
160.7837219	1.42
162.0709229	0.54
163.0769958	0.46
165.3275757	0.64
173.0594482	2.44
173.9876404	3.81
176.9569397	0.49
183.1324463	0.69
189.199646	1.57
191.0877228	1.35
193.1378784	0.91
197.2840271	1.29
198.1240234	1.49
215.098053	1.19
216.1448212	0.45
222.3504181	1.75
222.9629669	1.29
224.7975159	0.69
233.1045837	0.57
244.2635803	0.77
246.1442566	0.21
258.7202148	3.87
265.1122437	1.25
267.1933289	0.57
270.3674622	0.33
281.0882568	1.87
288.082428	1.31
290.2149963	1.97
291.0940247	4.12
294.3168945	2.84
297.2060852	1.34
304.1544189	0.65
312.1525269	0.61
314.2698975	1.70
324.0187378	0.86
325.5212708	1.91
328.2408142	1.39
332.0127563	5.15
339.6954956	9.34
343.151062	4.46
345.2374573	1.31
347.1655884	0.78
349.4017639	1.90
351.2664795	0.78
353.4211121	1.74
354.4876099	2.19
355.230957	0.21
356.417511	0.46
358.7197876	2.10
364.3340149	3.69
365.3857727	2.35
367.2001953	4.96
368.1041565	2.15
378.3187866	0.29
380.4112854	3.21
381.8836975	0.37
390.3304138	4.10
391.2452393	1.77
392.2003479	1.29
394.7886658	2.10
397.9855347	1.08
407.5067444	18.11
408.2704163	100.00
409.2003479	4.39
410.0937195	2.05
411.4664612	8.76
425.1105042	0.78
426.1522522	1.76
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
98.91670227	0.46
108.8703156	0.82
129.8842163	1.12
157.087326	0.48
165.3450317	1.36
169.9758148	5.12
183.0098267	100.00
184.0735931	17.96
185.0876617	0.92
187.1372681	2.56
195.120163	0.50
197.101532	26.25
197.9954224	3.77
199.1849976	6.25
202.4455414	1.03
210.2069092	0.56
211.1130981	0.64
212.1536865	3.52
224.9407043	2.03
226.2002563	3.99
231.053772	0.86
235.1207275	1.39
239.2479858	4.50
240.1497192	4.58
241.3158569	0.26
243.7189331	0.37
247.2646484	7.43
248.5610962	0.79
249.2470093	17.78
252.9550781	3.98
255.6177368	3.43
265.5457458	4.59
266.2055664	2.30
267.2303772	22.59
267.8589478	1.29
269.0360718	2.19
275.2278442	0.91
279.0019226	3.49
281.5183716	0.42
283.3596191	5.03
293.2270508	56.32
295.0285645	3.07
296.4914551	1.11
311.2111206	24.36
312.2327576	2.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	318.2994
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
92.64967346	0.05
97.02246094	0.21
108.6862564	0.30
121.0904694	0.05
135.0152283	0.10
151.249054	0.05
165.1053009	0.09
193.0611877	0.13
197.1523743	0.08
205.1029053	0.09
211.0615845	0.26
219.9985657	0.04
220.9909363	0.02
224.8243713	0.04
228.9789429	0.07
238.3301697	0.05
240.6776428	0.12
247.2821655	0.23
252.3189697	0.51
253.2980347	0.40
256.4106445	0.12
264.3493958	0.67
265.3710022	2.26
269.0764465	0.10
270.3470764	1.08
271.2717896	0.14
282.4093323	36.60
283.3231201	0.15
287.2497559	0.09
300.2910767	100.00
300.9239807	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	418.89
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9007874	0.14
172.2398376	0.10
174.9738770	1.02
199.8736572	0.34
215.0841980	0.67
216.1784821	0.03
222.2908630	0.07
229.1155396	0.04
273.0105591	14.03
274.0636902	1.71
274.8993530	0.32
289.0548096	24.95
302.2689209	0.11
303.1676636	0.24
305.0177612	100.00
313.3096924	0.14
327.4141541	0.41
328.9989014	0.28
329.9591064	0.09
334.2415466	0.05
342.2384949	0.07
344.9567261	0.53
347.5660706	0.21
348.2678833	0.10
349.0149536	0.04
356.9844666	0.05
360.7891541	0.07
363.0044861	0.32
372.0785522	0.35
373.1547546	1.14
374.1096802	0.06
375.1854858	0.29
376.0732117	0.43
390.0726929	0.05
390.9738159	0.15
400.1523743	0.83
401.0303040	0.99
404.8803406	0.13
418.5334167	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.9974747	0.65
109.0666504	0.41
111.1589355	0.08
117.1389313	0.47
118.2105408	0.08
121.0122681	0.86
123.0644226	0.37
131.0397339	0.39
134.9795837	1.26
137.1774292	0.34
139.070343	0.06
143.0428925	0.49
145.047226	0.10
147.0090942	1.41
149.0218964	1.42
151.1645203	0.60
152.9026184	0.16
154.4917145	0.15
156.97995	1.19
159.0030823	0.51
161.0055695	1.79
163.1296997	0.24
165.1176147	0.25
169.0812531	0.28
171.2633057	0.14
172.1367188	0.07
173.1649323	0.75
175.0244904	1.35
177.192749	0.92
179.008194	0.04
183.0419769	0.64
184.9475708	0.37
187.1092529	0.29
189.0019684	0.67
190.6924896	0.16
195.2646179	0.12
197.0807953	0.06
203.1392365	1.40
205.0145569	0.29
207.7683868	0.04
209.336731	0.17
211.0952759	0.70
216.9645691	1.54
219.028717	0.21
223.1232605	0.34
224.8914795	0.13
225.5365295	0.11
227.240448	0.05
229.1084595	0.07
231.0383911	1.26
237.052887	0.07
238.2563782	0.03
241.1830139	0.12
243.3489685	0.05
245.2180176	0.69
247.2818298	5.21
251.1740723	0.14
252.4866333	0.04
253.7970581	0.11
255.2048035	0.28
257.0544128	0.37
259.3383789	0.13
263.2215881	0.22
266.3516235	0.10
267.2467041	0.36
269.1981201	0.15
270.1465149	0.18
271.4321289	0.47
275.5070801	0.13
276.9486389	0.11
279.1245117	0.37
281.419342	0.13
282.9717102	0.13
284.4425049	0.20
285.0884399	0.23
287.0471191	0.18
290.219574	0.18
295.06427	0.65
296.5626831	0.20
297.2185364	0.15
299.1528015	0.79
300.1017151	0.55
305.385498	1.31
311.4702454	0.29
313.3511963	0.50
320.1908264	0.19
323.2411804	100.00
323.8488159	0.57
325.9753418	0.07
331.6443176	0.43
332.4680481	0.30
340.3239746	0.25
341.3258057	1.92
342.4422913	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.1346
Annotation	2''-O-p-Coumaroylvitexin
Peak:m/z	Relative Intensity
162.2242432	0.08
163.3575134	0.11
165.2043457	0.03
168.2094879	0.04
175.0759735	0.36
177.1252441	0.06
179.2503357	0.08
186.0115814	0.03
187.0424957	0.07
187.8561096	0.41
191.1018524	0.12
192.9058380	0.37
193.9859619	0.11
195.1393890	0.08
195.9300690	0.10
201.0884247	0.06
203.1444702	0.19
204.2286682	0.04
205.0625000	0.33
216.0525818	0.12
217.3786926	0.07
219.1038055	0.09
219.9748993	0.08
226.0617218	0.08
226.9215088	0.04
230.3720245	0.43
231.4636536	0.03
235.1292725	0.04
236.2269287	0.07
241.0568848	0.06
243.2305908	0.24
245.1018524	2.79
246.1898956	0.60
247.8761597	0.06
255.1203003	0.06
258.0572510	0.08
261.0386963	0.33
262.1761169	0.25
269.0510254	0.14
270.2220459	0.10
273.0639648	1.48
274.1503601	0.30
274.9779968	0.10
277.2379456	0.09
285.0614929	0.35
286.6170959	1.81
287.2573853	6.54
288.5303955	2.20
289.1360474	19.92
290.2192383	2.03
294.0637817	0.12
299.1995544	5.50
300.2216797	0.99
301.3260498	0.21
302.1298523	0.03
303.0748901	1.13
304.1892700	1.37
305.0568237	1.38
306.0825195	0.14
313.0232544	0.26
314.1973877	0.60
315.1136475	0.66
316.2271118	0.20
323.1538086	0.11
325.4270020	0.19
327.0398560	0.05
328.2274780	0.14
329.1910400	0.59
330.1683960	0.36
331.2662964	1.03
331.9469604	0.11
335.2758789	0.30
340.1522217	0.30
341.1352539	0.28
342.2876587	0.12
357.2794189	0.54
358.2473145	0.37
371.4406128	0.06
380.4385986	0.11
381.1637573	0.54
382.4857178	0.05
388.3665161	0.07
397.1982422	0.05
398.2493896	0.25
399.0473633	0.14
405.3527832	0.05
407.1553955	39.85
408.2514038	12.41
409.1989746	0.25
410.2529297	0.11
411.2144165	0.18
412.8822021	0.06
415.3703003	0.10
420.3755493	0.12
423.1398315	0.27
425.1693726	100.00
426.1627197	15.08
433.2310791	0.16
434.1553955	0.50
434.9748535	0.11
436.1976929	0.08
439.1128540	0.20
439.9885254	0.08
441.1721191	0.49
442.3416138	0.08
444.3233643	0.05
447.5061646	0.06
449.1098633	0.99
451.1701050	32.41
452.2533569	6.28
454.2365112	0.07
456.3046265	0.07
457.2378540	0.23
458.0416260	0.08
465.1128540	0.21
466.1547241	0.26
467.1922607	1.67
468.1894531	1.08
470.8934326	0.15
475.2792358	0.04
481.0288696	0.11
482.3731689	0.07
485.0971069	0.06
487.2221069	0.05
488.2794189	0.04
492.4505005	0.05
494.2587280	0.08
496.1183472	0.06
509.2935181	0.12
515.3665771	0.46
516.3628540	0.06
518.5056763	0.06
531.2868042	0.20
532.1675415	0.61
533.5568237	0.99
534.4390259	0.32
541.1851807	0.39
542.3261108	0.18
547.2412720	0.22
549.9349365	0.11
559.1831665	13.36
560.2423706	3.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.17
Annotation	beta-D-Glucopyranosyl-11-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
112.9312286	1.45
119.0049896	2.56
121.4466705	0.12
123.3629913	0.07
125.1064758	0.12
130.8734741	0.82
139.1576538	0.30
142.9769592	1.16
145.0994720	0.73
147.0758972	0.11
160.8893738	0.41
163.1173096	38.94
163.9317017	0.52
175.3617554	0.15
179.1034851	4.44
187.1113586	0.12
189.0713196	0.25
195.1004181	0.16
196.9001465	0.05
207.1320801	72.06
209.1626587	0.23
211.1719055	0.27
224.0885010	0.09
225.2191772	2.16
265.1991577	0.07
279.1558838	0.45
287.2265625	0.51
289.1469727	0.44
290.9852905	0.95
293.4686279	0.07
296.2060547	0.20
298.1701050	0.13
300.1170654	0.09
303.4202271	0.14
314.9162598	0.32
325.4509583	0.07
326.1512451	0.21
327.2404785	1.95
328.1133423	0.12
341.1365662	100.00
342.3398132	0.12
343.2074280	1.43
344.2181702	0.13
345.2110901	0.37
350.1109009	0.16
350.8615723	0.26
352.0112000	0.14
355.3641052	0.17
357.2793884	0.38
365.2734375	2.58
366.2600403	0.17
367.3119202	0.06
368.2190857	0.16
369.2804871	17.55
370.1578064	0.50
371.1600647	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	710.65
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9363251	0.26
290.8015137	2.87
293.1524658	0.02
306.4693604	0.08
334.3894043	0.04
374.6362305	0.87
375.2501221	0.07
436.7521362	0.02
452.3435059	0.09
458.6530762	17.39
460.6585083	0.02
464.5806885	0.08
490.8905640	0.02
502.6495361	0.33
520.6494751	0.45
529.0228271	0.06
531.1730347	0.08
540.0519409	0.14
542.5688477	100.00
543.2590332	0.21
544.7135620	1.50
548.7507324	0.26
566.8150024	0.29
574.4970093	1.77
580.6090088	0.38
590.6289673	0.81
600.4677734	0.21
602.1791382	0.03
604.5322266	7.15
605.3406372	0.01
616.4921875	0.15
620.8928833	0.18
623.9595337	0.39
626.3984985	31.92
627.1719971	0.08
634.5111694	0.52
646.5615845	1.22
650.6026611	2.87
663.2009277	0.03
664.1595459	0.97
664.7677612	1.16
679.1788940	0.08
680.6838989	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	241.11
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
78.8218079	0.11
89.9643936	0.19
96.7328339	0.15
98.9644775	0.11
107.3415375	0.08
111.0008087	0.06
125.0887909	0.10
135.1277618	0.21
137.1234589	0.33
138.0984955	0.05
139.1470642	0.76
140.7474518	0.23
145.0401611	0.10
149.1499786	0.08
151.0927277	0.36
153.0971375	0.29
155.2981110	0.04
161.3224182	0.28
167.0634308	0.23
169.0602722	0.63
179.1842346	1.05
181.1341248	1.01
182.0493622	0.21
183.2085266	0.15
195.0205536	0.29
197.0859222	100.00
198.0901337	0.21
199.2325287	0.07
210.9917145	0.18
212.4488983	0.09
223.1441345	1.84
226.0571899	0.09
232.1951447	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
110.9571533	69.79
118.8679962	0.20
128.9221802	0.24
155.0600433	0.29
172.9101105	100.00
179.0556030	0.15
191.0476227	1.24
209.1278687	0.09
236.8729858	0.17
291.5769043	0.13
293.1058350	0.64
335.1742554	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	519.16
Annotation	Unknow
Peak:m/z	Relative Intensity
165.1180267	0.18
173.0408325	0.08
173.9325256	0.18
175.1252747	0.04
175.9334717	0.10
176.9681244	0.23
180.9101257	0.03
182.1567078	0.12
191.1604004	0.10
236.9789886	0.11
248.9492188	0.17
341.3295898	0.67
342.2482910	1.89
343.2863159	2.88
344.2933350	3.57
345.2050171	1.07
357.4161987	0.16
383.2727051	0.15
385.0128174	0.10
429.2893677	0.09
473.2102051	100.00
477.6342773	0.12
499.6686401	0.03
500.9810181	0.15
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
93.10812378	0.20
96.79769135	0.50
99.00372314	0.22
100.957962	0.18
114.9526215	0.07
119.0433655	0.27
125.0769272	0.14
130.0222168	0.04
133.0464325	0.17
139.0323639	0.72
141.046814	0.20
151.069458	0.34
161.2139282	0.07
168.0769653	0.23
170.024292	4.49
173.3271484	0.28
179.1834106	0.26
183.0049896	100.00
184.0974426	14.35
185.1793823	1.02
197.0172882	40.30
198.0337372	13.53
199.0837097	1.26
200.0692749	0.13
207.135376	0.17
209.2056274	0.64
210.091095	0.18
211.0999756	2.18
211.9986572	1.50
215.3334351	0.08
217.2872314	0.13
220.9578247	0.43
223.1580505	0.46
224.0386963	0.75
225.091156	3.27
226.0193176	3.08
227.0092163	0.43
233.3260193	0.31
235.3796387	0.08
237.208313	0.87
239.2724915	8.33
240.3384094	1.20
241.236908	0.29
243.1440125	0.56
244.8161316	0.05
247.3141174	7.34
248.3220215	0.48
249.3499146	11.58
251.2836914	0.60
253.2305298	3.24
254.1686401	1.36
254.9976501	0.82
265.1809387	1.17
266.2547302	1.88
267.2887878	12.55
268.2241211	0.45
269.3032532	0.86
270.3130798	0.10
275.1824951	1.39
281.3640137	0.39
282.362793	0.53
283.4358521	1.10
293.204895	19.25
294.1462097	0.41
295.3348694	1.06
296.0759888	0.57
310.0714722	0.24
311.2068481	16.40
312.2658081	1.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	597.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
173.1212463	1.10
195.1222382	0.20
200.1226654	0.03
223.1609192	0.04
228.9365082	0.08
246.2992706	0.15
247.2082977	0.15
271.1368408	0.10
273.9703979	0.13
277.3687439	0.13
285.0262451	0.19
292.1707153	4.50
303.0341187	0.33
307.3627930	0.24
311.9570312	0.18
312.8290405	0.04
315.0500183	0.04
317.0004272	0.40
321.8067627	0.21
335.2124634	6.36
336.5395508	0.24
339.1441040	0.06
345.5540771	0.05
346.5382690	0.15
350.9963989	0.04
366.3859863	0.13
377.4429932	0.04
378.3143311	0.05
389.3005981	0.07
391.3513794	0.05
393.1741943	0.05
401.2269287	0.13
414.2259521	0.02
415.1635132	0.10
417.3240356	0.05
420.4412231	0.04
425.4101562	0.14
434.8048706	0.29
437.0977173	0.09
438.2156372	2.04
461.2997437	0.33
463.4605103	0.05
464.2297363	0.10
465.3200073	0.06
476.0845337	0.19
481.2758179	54.86
482.2653198	100.00
483.2351074	0.16
487.3130493	0.16
488.7129517	0.10
490.0437012	0.08
501.4782104	0.49
504.2590942	0.05
505.4240112	0.27
507.0513306	0.16
510.5456543	0.17
516.2276001	0.03
523.1569214	0.50
532.5458374	0.04
535.3336182	0.44
536.2015991	0.33
537.2689209	0.10
550.4852295	0.18
551.1076050	0.56
551.9697876	0.04
553.4152222	6.16
559.3636475	0.04
561.3108521	0.15
579.2056274	29.73
580.3733521	0.12
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
127.1329727	0.10
132.7621155	0.43
139.0438995	0.83
146.9842834	0.20
155.2830658	0.55
165.0855408	0.34
169.10849	0.55
171.1428833	0.41
172.9837952	0.95
176.2817078	0.22
181.2111816	0.39
183.2520294	0.27
184.9394379	0.56
187.1564331	1.10
197.2084808	0.93
199.1802063	0.58
201.2518005	0.25
203.055069	0.46
209.2421112	0.45
211.2658081	0.81
212.9105225	2.17
213.7550659	0.51
215.0348511	2.39
217.1405334	0.60
219.0221558	0.88
224.958252	0.53
228.1286926	0.57
229.2367249	0.50
231.1437378	0.67
233.4301453	0.23
235.3070374	0.76
241.3353882	1.30
242.3617249	0.51
243.2143555	0.53
251.3583679	0.11
255.31604	0.39
257.226593	1.95
258.2107239	0.27
259.2639771	0.79
263.2335205	1.31
264.9870605	1.40
270.807251	1.07
272.1427612	0.18
273.1272278	1.46
283.2884827	1.01
285.1957397	2.62
289.3363342	0.15
293.1595764	0.29
295.4070435	0.42
296.2516479	0.66
297.2545471	3.93
299.1065674	3.21
301.5706482	0.57
303.053894	0.30
309.519104	0.36
310.6143494	0.83
311.3637695	1.05
313.2890625	2.44
314.2703857	0.70
315.3554993	1.00
315.9875488	0.56
321.4265442	0.82
323.2996216	8.14
325.4244995	0.36
327.208374	0.52
328.1867676	0.15
329.3460083	0.47
334.609375	0.20
337.2915039	0.36
339.2566528	100.00
339.9186401	0.29
341.4191589	13.86
346.8045959	0.10
356.9671326	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	539.2131
Annotation	Briaexcavatin S
Peak:m/z	Relative Intensity
158.8738251	0.07
161.1250763	0.02
161.9114532	0.02
165.0569305	0.29
166.0722961	0.01
167.0693512	0.02
177.2412109	0.04
181.0580597	0.14
195.0762939	0.86
243.3813477	0.01
244.0701447	0.01
250.4530029	0.01
272.1707153	0.02
279.4246216	0.01
283.0440674	0.02
289.1307678	0.01
291.2687378	0.02
301.4409790	0.01
319.3473511	0.01
327.0798340	0.01
328.4205933	0.03
329.3472290	0.05
331.2255859	0.01
341.4398193	0.02
343.3041382	8.05
351.1487427	0.03
358.9824219	0.04
359.6136475	0.02
375.3979492	0.04
377.2950439	0.26
385.5935669	0.02
397.2757568	0.63
399.0901489	0.01
408.2794800	0.02
409.4450073	0.01
415.0675049	0.02
419.5158081	0.01
427.4459229	0.01
432.0585938	0.02
433.3679810	0.01
437.5221558	0.04
439.2089844	0.03
441.0753174	0.04
443.3370361	0.11
448.9187622	0.03
451.1561279	0.04
452.4967041	0.05
453.5360718	0.04
457.4753418	0.03
463.0706177	0.56
463.7368164	0.04
467.9050903	0.02
469.3318481	0.13
471.3578491	0.01
475.0405273	0.07
475.8295288	0.08
476.7145386	0.04
478.9351807	0.02
480.3856812	0.01
481.3164673	0.01
488.3504639	0.03
489.5625610	0.01
491.2708740	100.00
492.3698730	0.07
493.4954834	0.18
494.7042847	0.05
495.5372925	0.10
496.7228394	0.01
497.4154663	0.01
503.1063843	0.20
503.8724365	0.08
505.4674683	0.02
506.3775024	0.09
507.4415894	0.06
508.3637085	0.01
516.4177856	0.31
517.7277832	0.03
519.3490601	0.01
521.2034912	1.67
521.8437500	0.01
529.6538086	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	220.12
Annotation	cis-Zeatin
Peak:m/z	Relative Intensity
71.91066742	1.03
86.97462463	0.15
89.90505981	18.49
98.09280396	0.38
99.90155029	0.12
103.0415192	0.12
115.8864441	4.26
122.0641937	0.09
124.4143677	0.13
126.0975037	0.06
130.8639221	0.71
145.1592712	0.11
154.2463226	0.07
156.2602081	0.24
159.3398285	0.20
166.1328735	1.27
174.0077667	4.76
175.9237671	0.44
176.9268188	0.24
177.9273224	0.21
178.9650574	0.17
184.0683746	26.61
185.0570374	0.10
189.3903198	0.73
191.1173248	0.12
199.167572	0.13
202.116272	100.00
202.9736481	0.30
210.4172974	0.79
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	794.71
Annotation	Unknow
Peak:m/z	Relative Intensity
290.1520081	0.06
290.8029175	2.84
347.2080688	0.24
351.2235718	0.07
368.8587952	0.18
374.5158386	0.73
400.0610352	0.02
427.9569092	0.07
433.1224976	0.06
435.1882935	0.61
458.6058350	14.99
459.2730713	0.06
490.8222046	0.29
501.0560913	0.16
503.0182495	0.13
526.7100220	0.09
536.9575195	0.06
539.8773193	0.12
540.9971313	0.13
542.5814209	80.91
543.2907104	0.07
544.6290283	0.09
553.0661011	0.06
555.2673340	0.09
580.8126831	0.23
586.5101318	1.19
606.1347046	0.04
614.7434692	0.09
624.2902832	0.19
626.4301758	52.33
627.1766968	0.17
628.6379395	2.66
632.2372437	0.22
633.4627686	0.29
641.8679810	0.05
646.6259155	0.16
649.8457031	0.16
650.8901978	0.33
654.8683472	0.05
657.7849731	0.13
658.6011963	1.47
664.5938110	0.98
665.4948730	0.07
670.2344360	0.19
674.6613159	0.12
676.6298218	0.06
679.6087036	0.03
687.8573608	1.50
688.6085815	12.75
700.2525024	0.15
700.9857788	0.10
707.6975098	0.62
708.3101807	0.40
710.3665161	100.00
711.2710571	0.32
718.2648315	0.22
725.9500122	0.09
729.1831055	0.14
730.4544678	1.96
734.3241577	0.39
734.9624634	0.36
746.9684448	0.39
747.8276978	1.93
748.5491333	9.58
750.9393921	0.16
751.8135376	0.41
761.6454468	0.08
771.2617798	0.15
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
133.1342773	1.43
182.0617065	2.83
192.2817078	0.64
197.2012939	0.88
201.1799164	1.14
205.0124512	1.22
224.8557892	1.03
228.1407471	1.22
237.4072571	0.89
260.4880066	3.00
261.1850281	0.78
263.2910461	7.86
278.9637756	2.97
301.4640503	0.49
308.2286987	1.91
309.2940674	0.40
313.4873352	1.47
323.0319214	1.08
326.0725098	6.53
327.9312744	2.30
331.2474365	1.77
332.3006592	4.53
339.4176636	1.38
345.3062439	0.40
348.5588379	2.72
352.1746826	0.70
354.3349915	0.79
355.4333496	4.90
357.5509033	2.15
363.4156189	2.06
365.5488281	1.04
366.3958435	1.55
367.3360901	2.85
371.0248108	0.54
380.2827454	3.22
382.4453735	5.61
389.5636292	2.11
390.3294983	7.01
391.1036682	0.49
394.3934631	0.75
395.2605896	4.22
396.4107361	1.47
397.1128845	1.32
403.0898132	0.59
407.2152405	8.27
408.2675476	100.00
409.0903015	4.61
409.9901428	1.61
411.0218201	1.28
426.1359863	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	501.1606
Annotation	Wahlenoside A
Peak:m/z	Relative Intensity
160.7755432	0.11
169.0677643	0.10
170.0347900	0.08
171.0920105	0.04
173.0545807	0.26
179.0532379	0.42
194.9886169	0.13
219.2260437	0.13
228.4723206	0.08
233.2281494	0.04
279.0730896	0.06
295.2980652	0.46
298.3549194	0.07
304.9553833	0.32
317.1828308	0.14
318.4112549	0.06
320.2945557	0.14
321.3960266	0.07
323.2330933	0.04
328.1719360	0.13
334.9913940	0.44
339.1504211	0.92
345.2392883	0.12
353.2022705	0.14
375.3902588	0.24
381.1945190	0.09
386.2634277	0.35
397.0942078	0.11
400.9613953	0.08
402.9595337	0.10
405.0597229	0.24
411.3638916	0.30
412.1197815	0.06
414.5437317	0.15
415.4074707	0.19
419.4173584	0.27
423.4631042	0.08
424.5549316	0.28
425.7076111	0.28
427.7534485	0.07
430.4574585	0.06
439.8993835	0.07
440.9882507	0.33
448.4220276	0.63
453.7948303	0.05
455.0902100	0.89
456.0175476	0.18
457.2521667	100.00
458.4582520	0.08
464.7205200	0.20
465.3593445	0.09
471.5435181	0.11
473.2496643	0.44
478.7046814	0.21
479.5682678	0.56
480.2042847	0.24
481.2820129	0.06
482.4228821	0.22
483.1608276	0.43
483.8592834	0.41
487.3609924	0.09
491.4019165	0.56
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
199.5477295	0.03
281.1095276	0.08
323.5357666	0.02
339.1903076	0.26
341.1632690	100.00
341.9305115	0.02
396.3820190	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.17
Annotation	beta-D-Glucopyranosyl-11-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
112.9277039	0.72
118.9733047	1.60
120.8326721	0.23
124.9785461	0.15
130.7904358	0.88
143.0022583	1.45
145.0293732	0.16
148.9883881	0.55
155.2723236	0.22
161.0443726	1.25
163.0429993	28.71
165.1062622	0.15
169.0606384	0.17
178.9695129	1.17
181.2811584	0.19
182.2117310	0.25
207.1729584	56.14
209.4636841	0.17
225.1446228	4.46
233.3012695	0.23
257.1249084	0.45
261.1946106	0.16
287.1014099	0.52
289.0791321	4.03
292.2667847	0.26
296.8555298	0.27
298.8829651	0.45
305.4743347	0.63
307.3503113	0.52
308.3784485	0.29
309.2950439	0.27
311.2640381	0.69
326.6051636	0.30
327.2154846	0.42
340.0522156	0.23
341.2102966	100.00
343.2209473	1.73
345.0381775	0.15
348.3533936	0.53
356.3773804	0.12
357.7998657	0.59
358.9580994	0.08
365.4052429	1.75
366.7748718	0.51
369.2582703	18.02
370.4139099	0.25
378.1195679	0.27
383.5165405	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
84.95444489	0.05
86.10569763	0.06
94.89962006	0.40
96.9156189	0.83
98.73491669	0.42
100.9317017	0.14
107.0812302	0.16
109.0667038	0.19
111.2692032	0.11
113.0830688	0.16
115.1154022	0.06
120.9729156	0.16
123.1416931	0.72
125.0604553	0.05
126.987381	0.58
129.0671387	0.19
134.0369568	0.07
134.9736938	0.21
136.9615173	0.20
138.9515686	3.52
140.9168091	0.93
143.032547	0.48
147.04039	0.28
149.166748	0.62
151.0299072	0.04
153.1312256	0.59
155.1174927	0.33
157.1036072	0.20
161.3817596	0.04
163.1520996	0.31
165.2377625	0.50
167.0618134	0.13
168.9442902	0.57
171.197403	0.16
173.2534485	0.13
175.0800476	0.08
177.1048126	0.12
179.0147705	0.70
181.1482544	0.13
182.4367676	0.35
183.1006165	0.61
185.1018372	0.15
189.2126312	0.05
191.0811157	0.33
193.1591339	0.20
195.2507019	0.23
196.0513	0.13
197.0789948	4.75
199.240387	0.36
203.1284485	0.76
207.2118835	0.51
211.1322632	1.88
213.2398682	0.18
219.2461243	0.22
221.1948547	1.58
222.2362061	0.17
223.1686707	0.73
225.1252747	1.07
227.1500854	0.30
229.3985291	0.25
233.3148499	1.54
234.3164368	0.32
235.1359863	0.09
237.1884155	2.09
239.1260071	10.09
240.9984436	0.37
243.3066101	1.69
246.9528503	0.08
251.1889038	1.57
253.3223572	1.03
255.2632751	1.79
256.0392761	0.42
256.9965515	0.55
261.1746521	4.22
266.1200256	0.18
269.3124695	0.15
274.7677917	0.15
277.4197998	0.12
279.2246704	100.00
280.2533264	0.09
281.0465698	0.09
297.2572632	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	483.0775
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
158.9907532	0.02
167.8104248	0.01
169.0564575	0.32
172.0775757	0.02
179.2357483	0.01
191.0854492	0.01
193.0480042	0.08
195.1800842	0.02
210.9627686	0.06
222.9844666	0.03
232.1618958	0.05
241.1166687	0.07
245.0957642	0.03
271.0796204	0.90
275.0054932	0.03
275.9353333	0.06
277.2759399	0.07
284.2806091	0.02
287.1737671	0.04
301.0778198	0.04
305.7503967	0.11
313.1358032	0.46
321.1669006	1.63
331.1179504	100.00
343.1058350	0.13
349.6635742	0.05
352.3193970	0.03
357.4123535	0.03
363.0494995	0.04
381.1945190	0.02
387.0791321	0.02
392.9870300	0.10
396.3439026	0.08
407.9568176	0.01
421.0400696	0.04
423.1904602	0.50
437.2612305	0.05
438.3843079	0.23
439.1509399	0.16
444.8977966	0.06
451.8882751	0.04
455.2452698	0.02
464.2688599	0.05
464.9196167	0.02
468.9844360	0.01
491.1513977	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	452.11
Annotation	Unknow
Peak:m/z	Relative Intensity
136.6863098	0.08
179.1309509	0.17
200.9155579	0.28
211.8103027	0.12
219.0590515	0.31
226.9119263	0.45
237.3782806	0.20
245.1609802	5.70
247.1841431	2.88
256.9285278	0.26
259.1419373	0.50
271.0746765	0.89
274.0923157	0.26
283.2607727	0.44
284.8446655	0.14
290.1448975	0.11
295.2448730	0.15
299.4267578	0.09
303.3104858	2.48
305.1461487	0.11
305.8664856	0.17
310.5039062	0.11
311.1779175	0.41
331.2045288	7.03
331.9305420	0.05
333.1909180	0.58
335.0900269	2.08
347.1923218	0.46
359.1174316	0.62
360.8884888	0.17
362.2300415	1.46
377.3021240	0.32
385.2897339	0.12
388.2280884	5.73
389.0477600	0.53
390.2648621	12.13
395.7155762	0.71
398.2148132	0.11
400.1819763	0.54
404.9709473	0.24
406.1893616	5.47
407.3023071	3.24
408.1035767	0.42
409.1193237	0.12
416.0795288	0.75
421.5763550	0.07
424.1656189	0.40
429.7868958	0.47
432.2135315	0.13
434.1032104	100.00
435.1142273	1.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2497
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
98.75326538	0.04
104.852951	0.06
106.741806	0.89
109.0174255	1.90
110.8326187	0.32
119.0319519	0.33
120.9217758	2.20
122.8685226	0.89
124.6035309	0.30
131.0980225	0.59
132.9732361	0.43
135.0715332	3.65
137.1118164	0.60
139.0419006	0.16
143.0496216	1.18
145.176651	0.09
147.0056458	0.80
149.0608521	2.41
150.8306732	0.36
157.1087341	0.46
159.0190125	0.29
161.1044312	1.77
163.0999146	0.85
165.1794128	1.31
167.2232513	0.13
168.9567261	1.33
170.9862366	0.75
173.0775146	1.73
175.1343842	1.84
177.1540222	0.82
178.1187134	0.12
179.127655	0.18
181.1181488	0.52
183.0455017	0.95
185.1220703	0.21
185.7321472	0.15
187.1381683	1.55
189.0460968	0.35
191.3678284	0.18
192.8634644	0.59
197.0893097	0.34
201.0075989	0.32
203.3091583	0.22
204.6887665	0.09
205.2964172	1.19
208.9529724	0.31
211.1264648	0.73
213.0104675	0.46
215.1704407	1.05
217.1910706	1.70
223.2079468	1.24
225.3340149	0.13
226.8514709	0.31
228.8780823	0.76
231.0935059	6.94
232.946228	0.55
235.3971558	0.04
237.0579224	0.31
239.0336609	0.22
241.1828613	0.25
243.0927429	0.76
244.2562561	0.15
245.1705933	1.47
247.1210632	9.04
247.7633057	0.10
250.9060059	0.10
252.1539917	0.08
253.1980286	0.14
255.0305786	0.08
256.8218689	0.30
258.1764832	0.03
259.0995483	0.45
261.4111938	0.06
265.2568359	0.21
267.2638855	0.20
271.2677307	0.87
273.3167419	0.36
281.2927856	0.78
283.354126	1.54
285.3457947	0.35
287.3988037	0.58
292.3209229	0.55
295.0776367	2.08
296.1638489	0.30
297.276001	0.42
299.2627258	2.49
300.1104431	0.18
305.3133545	3.89
308.8184204	0.04
310.7426758	0.22
312.3232422	0.23
313.4154968	0.58
314.1314697	0.18
323.2384644	100.00
323.9265747	0.46
326.3621826	0.20
331.7483826	0.74
332.609375	0.17
341.167572	1.19
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
93.03831482	0.86
95.00810242	0.15
106.9364853	0.43
110.9742813	0.27
123.2038116	0.42
130.8994904	0.23
133.2579651	0.57
135.2449493	0.66
137.0180054	0.21
143.1066895	0.93
146.9458008	0.78
148.2254486	0.31
149.1701965	0.68
151.256897	0.86
151.9474945	1.55
153.0354767	1.49
155.0464478	0.72
157.1373596	0.80
158.9477234	0.62
160.3799744	0.31
161.0561218	0.79
163.2078705	0.44
166.0686646	0.35
167.1126404	0.39
169.1605988	1.44
171.1576843	0.60
172.1229858	1.27
173.075531	0.60
173.7026978	0.55
182.9717712	0.32
188.9435272	0.24
191.0969849	1.51
191.8672943	0.75
194.0105591	0.72
194.7212677	2.15
197.0223541	2.28
199.0671234	0.44
200.7642822	0.60
205.1841125	0.58
210.9891968	1.81
212.9727783	0.91
215.1390381	1.43
217.358551	0.15
219.2756653	0.66
222.9907532	0.32
225.1114502	1.62
226.9901428	1.09
227.6018982	0.15
229.1590881	1.78
231.3675842	0.66
233.0148315	1.22
235.0944519	0.98
237.1258545	1.52
239.2882996	1.04
241.3683472	0.38
247.2980652	4.09
249.1769714	1.77
251.0455627	4.62
253.1019287	3.46
255.0624084	0.87
257.0451355	0.71
263.1668701	0.21
264.086731	0.71
265.1098022	4.66
267.0487061	4.86
269.1532593	0.96
269.9699097	1.52
275.2406921	17.75
276.3595276	0.23
277.5605164	0.44
279.192688	1.74
281.2565308	2.79
283.0119629	6.59
283.7599792	0.06
290.6472168	1.41
293.2139282	100.00
294.1741333	1.15
294.928833	0.65
302.8181763	0.15
307.3629456	0.15
310.8843384	1.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	386.14
Annotation	Unknow
Peak:m/z	Relative Intensity
118.0198975	0.11
120.0217972	0.24
120.8911896	0.58
136.0698242	0.08
137.9884033	29.25
160.0148315	0.37
162.0862579	2.39
163.1084595	0.38
164.0050354	0.12
174.2704163	0.14
176.1102905	0.21
177.1667175	0.36
180.0192261	4.15
184.8472290	0.07
186.3789062	0.44
187.2542725	0.13
191.8590698	0.21
199.0796356	0.12
204.2758789	0.99
207.0281372	0.21
221.1974182	0.29
222.0983124	0.08
226.8322449	0.18
228.1504211	4.14
246.2901611	0.71
248.1267090	0.17
264.2004700	1.09
269.2622986	0.32
277.6329956	0.41
282.1749268	5.33
285.1991577	0.35
288.5557251	0.14
289.1947021	0.16
296.1879883	0.69
297.2016602	0.27
300.0302429	4.37
306.1480713	3.63
312.3275146	1.29
313.8108826	0.10
321.3554688	0.11
323.1359863	1.09
324.2048645	2.35
325.2084961	0.38
326.0571594	0.50
327.3048706	0.76
329.2468567	0.46
332.1025696	6.52
340.4059448	0.31
341.1998291	0.28
341.9776611	0.23
344.2682495	0.17
345.1444092	0.94
350.1080017	26.10
350.9900513	1.92
351.6806030	0.20
355.4023743	0.16
358.0412292	0.55
365.6239929	0.37
367.0429077	0.30
368.1712341	100.00
369.2626953	1.74
377.0002441	0.39
396.5201721	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.05348969	0.05
106.9606171	0.18
108.9883728	1.10
117.079361	0.11
120.8912582	1.57
123.0886841	0.78
131.086792	0.31
133.0859222	0.41
135.0409851	3.14
137.0413055	0.42
142.9458771	0.66
146.9199829	1.37
148.9092712	0.49
151.0811462	0.68
155.1140137	0.15
157.1159973	0.60
159.0140686	1.00
161.155014	1.46
162.9315948	0.48
164.9362183	1.40
167.103363	0.43
169.1210938	0.30
171.2559967	0.08
173.0969238	1.52
175.1697388	0.60
177.0539551	0.63
178.8136749	0.12
181.0418701	0.53
183.0777283	0.58
185.008194	0.50
186.9127808	0.29
189.0968018	1.33
191.2753906	0.75
192.9761658	0.26
195.2326508	0.19
195.898407	0.07
196.9559326	0.15
199.1240692	0.37
201.2089996	0.07
202.0703735	0.19
202.9920654	0.26
205.3065033	0.59
206.8190308	0.33
211.1528015	0.98
212.9888611	0.55
214.2733459	0.18
215.2924194	0.15
217.1551819	1.61
219.2607727	0.10
221.0777893	0.10
223.138916	0.35
225.1654663	0.36
227.0875244	0.36
229.043335	0.40
231.2121887	1.07
235.1457825	0.17
237.5679932	0.27
239.0572815	0.13
241.1800232	0.13
243.1421509	0.36
245.1266174	0.99
247.1669922	5.32
251.7763672	0.21
253.2073059	0.56
254.16745	0.24
257.249115	0.78
259.2894287	1.02
261.4051514	0.59
265.3930969	0.68
266.3557129	0.30
267.3340149	0.48
269.1652832	0.10
270.21521	0.13
271.2957458	0.65
273.3334045	0.52
277.4250183	0.37
281.4733887	0.61
282.1562805	0.08
283.1445923	0.45
285.1304626	0.68
287.0706177	0.16
293.737793	0.14
295.2790527	0.43
296.1206055	0.14
299.1543884	0.77
305.2000122	2.67
309.2716675	0.05
312.3765869	0.05
323.2373047	100.00
324.2369385	0.47
325.0696411	0.15
331.9974976	0.22
341.2138672	1.67
352.3185425	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	355.1031
Annotation	Veranisatin B
Peak:m/z	Relative Intensity
107.1042023	0.11
111.1096954	0.09
113.0749512	0.22
121.0845566	0.14
124.9666443	0.04
130.9194336	0.08
134.0170441	3.75
136.2408447	0.07
138.9996643	0.10
145.1468353	0.06
149.0842896	1.43
151.2000427	0.11
160.0774078	3.20
161.3736267	0.03
174.9990997	36.99
176.2130890	0.23
178.1472778	0.24
187.9338684	0.05
189.1138306	0.19
190.9958191	1.86
193.0038910	100.00
195.2580261	0.06
202.0452728	0.81
203.1202850	0.26
207.0564575	0.85
215.2762451	0.11
217.1212769	58.74
219.5642700	0.06
221.0358276	0.37
231.2359924	0.12
233.2463684	0.26
235.0317993	9.63
245.0803833	0.19
247.1159973	2.75
252.9212646	0.10
254.8560181	0.05
257.1665039	0.21
259.1530762	0.71
265.1304016	4.03
275.1658936	0.16
277.0266724	0.11
280.9867554	0.07
283.1415710	0.22
288.8423157	0.05
292.5488281	0.19
295.1639099	7.36
297.0991516	0.31
307.2766113	0.15
309.0803833	0.63
309.9863281	0.10
311.3950806	0.29
313.2703857	0.10
318.6710205	0.05
325.0762939	0.17
333.1694336	0.19
336.1404419	0.07
337.1376038	2.32
340.1094360	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	295.23
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
94.91615295	0.39
97.14421082	0.28
102.6262054	0.11
105.1200485	0.09
107.0136795	0.33
108.9968109	0.45
113.0225983	0.20
115.1506271	0.28
117.1848679	0.21
119.0346985	0.28
121.0957794	1.91
122.8718719	0.24
126.9711685	0.32
131.0903625	0.77
132.8405914	0.34
136.8851624	1.00
139.0253906	0.29
140.9465942	0.42
144.7541504	0.41
146.910614	0.75
148.8494873	1.48
151.035202	0.56
152.8000183	0.38
156.6753693	0.51
159.0112152	0.18
160.9909058	0.31
163.0945435	1.79
165.0059204	0.49
167.0844421	0.38
168.8218536	0.44
169.8900757	0.10
171.1896362	0.21
173.0172119	0.57
174.7344666	0.58
177.0640259	0.16
179.0579224	1.05
181.1782532	0.94
182.9228821	1.00
184.15271	0.17
185.1095276	0.24
187.2389832	1.42
189.264801	0.70
190.2653503	0.23
191.1448364	0.13
193.3208618	0.67
195.0797119	3.37
196.9908142	0.95
201.2358398	1.41
203.0244751	0.78
205.1015625	0.59
205.937561	0.26
207.0455627	0.67
209.0866699	0.58
211.1305237	1.93
213.3486328	0.26
215.1916809	0.21
217.0179749	0.37
219.1688232	1.87
221.2329712	0.22
223.170105	1.77
224.0622559	0.56
225.4429626	1.13
231.0778809	0.66
233.2849121	1.13
235.1565552	1.56
237.1159058	4.90
239.1625061	0.91
241.2164307	3.60
243.2136536	0.71
245.3342896	0.48
247.1885986	0.40
247.9396973	0.14
249.0228882	2.91
251.2603455	0.99
253.1534424	3.00
254.096344	0.76
259.2999268	10.26
267.0803223	0.89
271.6868896	0.35
273.9395752	1.42
277.2136841	100.00
278.4642944	0.38
286.1010132	1.31
286.8377991	1.43
295.3065796	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	480.3073
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
180.0530396	0.02
204.9909363	0.08
216.0309753	0.04
245.137619	0.02
251.1124268	0.03
256.904541	0.03
269.1404114	0.08
271.3408203	0.02
272.11026	0.09
279.8058472	0.03
283.0569153	0.02
285.1112366	0.06
297.9310303	0.05
302.1135559	0.04
305.2722168	0.08
308.4220581	0.32
309.40979	0.01
325.6263733	0.06
330.3862	0.07
336.0766602	0.05
339.2857666	100.00
342.3689575	0.04
350.2823486	0.07
356.7090454	0.08
359.1730042	0.07
362.3248291	0.02
364.430603	0.02
365.1871948	0.07
370.2192383	0.06
375.1967163	0.03
376.2035217	0.13
381.2973938	0.05
389.9348145	0.06
404.4288025	0.04
405.1092529	0.03
416.2849426	0.28
419.1077271	0.25
421.1562805	0.02
428.3553162	0.08
434.2704163	0.23
435.7275085	0.04
438.5344849	0.02
439.3756104	0.02
443.2605591	0.15
444.4158936	0.09
449.3913879	0.12
452.5491333	0.04
462.2981567	7.87
463.4636536	0.22
480.4079285	0.19
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
110.6482697	0.22
113.8438721	0.06
120.8907242	0.03
122.1439438	0.09
122.8019104	0.05
127.0091858	0.07
129.0305481	0.08
133.0533752	0.03
138.9686737	0.11
141.9757385	0.06
144.1835938	0.09
145.0168457	0.06
147.0394897	0.07
149.7966309	0.14
153.0656433	0.20
155.8850403	0.05
162.0578308	0.06
163.2575378	0.08
164.9273529	0.04
174.7418823	0.09
177.0174866	0.03
182.9485779	0.03
183.9996490	0.41
185.2585144	0.16
191.1016846	6.94
194.0161133	0.05
195.1705933	0.21
199.0230865	0.10
200.8945007	0.19
204.1078491	0.13
207.0674133	0.16
212.1005554	2.05
213.1693115	0.45
219.0007019	0.07
223.2204590	0.19
224.2225037	0.06
227.2801208	0.02
233.0462341	0.14
235.3425903	0.06
236.0118713	0.03
237.1410828	0.07
240.7288818	0.30
243.1691895	0.06
246.9097290	0.13
251.1868896	0.07
252.2237549	0.05
253.2458191	0.06
254.2190857	0.05
259.0143738	0.14
260.9680176	0.03
265.3111267	0.02
268.1580200	100.00
269.1340332	18.63
270.9464111	0.52
272.1424255	0.02
276.0038452	0.04
277.0560608	0.10
279.2640381	0.50
280.0462646	0.09
281.0968018	0.19
282.5185242	0.25
283.8065186	0.27
288.9848633	1.64
289.7908325	0.02
293.3541260	0.26
296.2993164	0.27
297.3059998	0.19
305.2604370	0.23
307.1554565	65.74
308.1254883	0.63
310.0540466	0.08
311.1404419	0.07
316.2958374	0.17
318.2550049	0.19
323.7209473	0.18
325.1294250	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	411.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
125.0369186	0.81
138.9554596	0.49
150.7438354	0.11
165.1600952	0.04
166.1637268	0.11
169.0375824	8.21
181.0686646	0.34
183.0831299	0.04
199.0920715	0.13
221.3448944	0.08
223.1179810	0.78
235.1514282	0.05
239.2055054	0.03
241.0130615	100.00
249.1861572	0.46
281.3258667	0.13
287.3101501	0.48
305.2500610	0.66
313.1957397	0.35
323.0862122	0.11
331.1764832	9.51
348.0634766	0.06
349.3465881	0.05
350.1729126	0.04
362.4471130	0.21
364.3553772	0.19
365.1931763	2.54
367.2007751	3.47
375.3116455	0.04
393.3028870	2.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.2861
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
178.8321075	0.02
212.2673950	0.02
220.2547913	0.03
220.9349518	0.02
248.9674988	0.02
286.1673584	0.06
293.2261963	0.14
304.1610718	0.02
313.1934814	0.10
318.0573120	0.01
327.5101929	0.02
328.3067017	0.01
335.2709351	0.02
371.4914551	0.08
382.3692627	0.02
385.3837280	0.04
386.1511230	0.01
398.2720947	0.02
399.3600464	4.72
400.4064941	1.47
414.2969971	0.08
415.1397095	0.21
416.3765259	0.12
424.1097412	0.06
426.1699829	0.01
439.5521851	0.03
447.1161499	0.09
456.3828125	0.01
458.8974609	0.09
463.9874268	0.02
473.6755371	0.02
475.1687622	0.01
481.6259155	0.07
482.6145020	0.04
490.3255615	4.75
491.4307251	1.29
492.4955444	0.04
502.1996460	0.05
518.1538696	0.04
529.1867065	0.03
531.2890015	100.00
532.2495728	18.10
533.4682007	0.06
536.3276978	0.02
539.5596924	0.07
542.0452271	0.23
559.6082153	0.11
560.4053955	0.16
562.1485596	0.04
563.1821899	0.03
569.1228638	0.04
579.1807251	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	805.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
245.1680298	0.04
372.0641785	0.07
402.4952393	0.05
462.1138306	0.07
490.3067627	0.04
503.1921387	0.03
516.2754517	0.03
521.3065186	0.11
522.6753540	0.07
533.4391479	0.17
534.1590576	0.02
535.3068237	0.03
544.0561523	0.04
549.2777100	0.02
564.4069214	0.21
565.3024292	0.03
567.5828247	0.03
576.4149780	0.13
593.5009155	0.24
594.3965454	0.04
606.3001099	0.21
607.1514893	0.09
610.1607056	0.03
619.5764160	0.09
625.1168213	0.14
630.1533813	0.04
636.8986206	0.06
638.4149780	0.14
642.4927368	0.03
643.1591797	0.18
647.6608887	0.06
650.3521118	1.46
651.3112183	0.49
652.0889282	0.25
653.3140259	0.40
655.3478394	0.04
657.7713013	0.05
664.3495483	0.20
669.3977661	0.04
670.4464722	0.19
672.3789673	0.03
676.2171631	0.03
682.3995972	3.63
683.3991089	0.35
685.2172241	0.05
687.2274780	0.03
699.8499756	0.04
701.3516235	0.02
709.4108276	0.02
713.7405396	0.18
715.1917114	0.13
721.6365356	0.15
726.1339111	0.06
726.7664185	0.05
727.4592896	0.12
728.8784180	2.02
729.5498657	1.08
731.3993530	0.26
732.2017822	0.04
734.2991333	0.21
735.1002808	0.14
741.4453735	0.12
742.5501709	0.04
743.3705444	0.05
744.4260864	0.25
745.2608032	0.81
755.2809448	0.41
757.6616211	0.02
759.1795044	0.07
759.8160400	0.07
761.3983765	0.28
762.2114258	0.13
766.2465820	0.06
767.2082520	0.02
768.1185913	0.17
769.5143433	0.29
773.3156128	100.00
774.0097046	0.21
783.2152710	0.21
786.7844849	0.05
787.6215210	0.12
795.5199585	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
97.17942047	0.16
111.0027008	1.53
124.9903717	0.14
132.7579956	0.11
138.0166473	0.26
139.0270996	0.05
146.9043579	0.11
151.1499939	0.35
152.9851379	100.00
161.0964813	1.91
162.9398651	0.03
165.1863861	0.05
168.0029449	0.38
172.9459991	0.05
175.8819733	0.09
177.0270844	0.79
178.8591461	0.13
180.0807495	0.10
185.0786591	0.25
201.2260132	3.14
203.1784363	1.04
204.2280121	3.99
217.3033142	0.20
219.1314697	39.24
221.0497742	0.20
225.0570679	0.04
229.2355499	0.14
234.2086792	0.30
235.104538	0.78
245.1472321	2.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1087
Annotation	Lactulose
Peak:m/z	Relative Intensity
88.9921722	0.18
99.0751495	0.13
100.9486542	8.00
103.0066223	0.29
104.7775574	0.25
107.0372086	0.16
112.9446945	19.53
118.9358063	10.14
124.9826431	2.86
130.9742737	6.61
142.9338989	19.21
148.9996033	2.06
160.9669189	19.99
177.2766724	0.15
178.9896545	100.00
189.7267609	0.13
220.8274231	0.37
245.0752869	0.26
251.0486450	0.20
281.2361450	1.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	413.1404
Annotation	t(6)a
Peak:m/z	Relative Intensity
131.1456909	0.07
135.9848022	0.15
161.9877014	0.16
205.1584167	0.04
220.9088287	0.41
235.3858337	0.07
239.1999207	0.15
241.2624207	0.03
255.3320618	0.11
259.1736755	0.04
261.272522	0.17
268.1599731	3.74
271.4449463	0.25
279.0375977	0.18
281.0909424	100.00
287.300354	0.08
292.307373	0.04
293.5814819	0.33
294.1817627	0.94
300.375061	0.04
301.34729	0.33
304.2263794	0.07
307.2765198	0.09
308.9349365	0.30
315.1802979	0.06
324.2850342	0.10
327.4275513	0.05
340.5107422	0.20
343.3723145	0.19
351.6289673	0.14
352.3964233	0.07
355.5010986	0.06
367.3490906	0.04
369.841156	0.03
377.9565125	0.16
382.4230957	0.21
384.2423706	0.03
385.1871948	0.14
391.3367615	0.31
394.6462708	1.16
395.537262	0.99
402.5395813	0.15
403.5336914	0.13
404.8070374	0.18
413.2797852	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	678.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
221.4283142	0.20
249.3651733	0.07
263.1630554	0.14
275.2741089	1.41
280.0050049	0.15
293.2319946	15.80
319.2154541	0.40
323.2335815	0.88
337.0859985	100.00
341.1482544	0.24
383.2614136	0.37
385.1867676	0.09
386.0820312	0.08
399.0985107	0.29
401.1910400	0.29
411.2510986	3.51
434.1399536	0.28
437.2839355	1.34
455.2250366	91.98
462.2597046	0.10
472.4450073	0.26
481.2394409	2.15
499.2926025	67.28
515.4300537	12.20
516.3765869	2.28
521.6361694	0.32
527.1381226	0.13
545.4070435	1.09
546.7024536	0.37
555.4985962	0.34
556.3662720	0.13
596.4328613	32.00
597.5904541	4.53
604.5304565	0.41
609.7405396	0.17
611.4392700	0.53
620.3903809	0.64
622.2788086	0.17
630.8551636	0.72
632.3667603	0.83
634.3170776	0.67
642.2525024	0.09
659.5477295	0.76
660.4118042	0.08
668.8132935	0.28
669.7097778	0.74
689.3305664	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.0926
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
96.80339813	3.48
98.85062408	0.97
113.0264587	0.50
113.8432465	0.53
119.0258484	2.68
123.3216095	0.28
124.9711075	0.46
132.9088745	0.17
139.1249084	0.16
139.8602295	0.23
161.1477966	0.30
163.0418701	100.00
168.9742126	3.95
172.9570923	0.88
179.0994568	1.03
181.046524	0.27
183.0063629	2.30
188.6107178	0.86
192.9485779	0.57
205.0300293	1.50
211.0933533	0.28
219.2110291	0.68
220.893158	1.21
222.1238098	0.23
224.8891602	0.25
230.8505859	0.16
233.0789185	0.46
235.3293457	0.20
236.2296753	0.21
236.9461365	0.17
238.0629883	0.83
244.6085815	0.40
247.031311	0.15
249.044342	0.18
257.6999512	0.81
261.8413086	0.42
263.3595276	0.57
265.0659485	1.96
267.2277222	0.23
269.3605042	0.60
279.2043152	0.62
281.1934204	1.36
282.1100159	1.03
283.0651245	0.24
284.0662842	0.50
287.1950073	1.02
288.3435669	0.18
289.980835	0.27
292.8564758	1.55
297.1329346	1.54
306.2218018	1.38
307.2178955	4.88
309.1422119	0.36
310.8608398	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	253.0564
Annotation	Dihydrolipoate
Peak:m/z	Relative Intensity
72.8297958	1.08
75.0481110	1.67
83.0701752	0.37
84.9055939	0.34
86.9728470	1.44
88.9154968	5.68
92.3160858	0.38
97.0147247	1.46
99.0289001	0.99
100.9130859	15.57
102.9551392	3.05
105.0017242	0.39
108.9959869	0.43
111.0017548	0.63
113.0185699	8.76
114.9190826	1.17
116.9095306	0.53
117.5752716	0.42
118.9450989	11.40
124.9693298	5.33
126.9979858	2.01
129.0537262	0.63
130.8801575	7.76
133.0253601	31.27
135.2242584	0.86
137.1147919	0.28
139.0596161	0.08
142.9953308	13.62
144.8938904	6.08
146.9620667	1.23
148.2792511	0.74
148.9912109	10.14
153.1303864	0.41
154.9365997	10.05
156.7614441	0.69
159.1754913	0.18
161.0803986	5.00
163.0218506	100.00
171.2346191	0.16
172.9872589	15.51
175.0613708	1.23
178.9141235	1.15
181.3161316	0.38
187.0040894	0.23
191.0265198	1.56
193.0907288	41.34
205.1386871	0.73
208.8895569	0.21
216.9639893	7.44
223.2390289	2.02
235.0754547	16.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	478.29
Annotation	PC(15:1(9Z)/0:0)
Peak:m/z	Relative Intensity
152.9362793	0.06
214.9648132	0.06
224.3328247	0.05
240.0291443	0.03
242.2153168	1.88
253.3265686	100.00
277.4684753	0.09
279.4161072	1.27
280.4527283	0.63
281.4790344	0.04
292.9092102	0.25
296.1694336	0.09
323.5418091	0.05
343.3041992	0.04
344.3530273	0.04
363.1289978	0.03
378.4529419	0.02
379.2304077	0.24
392.6297913	0.06
397.5032654	0.16
403.0962219	0.07
406.2463074	0.18
416.2467957	0.29
416.8638306	0.23
418.2601624	0.08
431.9974670	0.28
432.7548523	0.11
433.8675842	0.23
434.8897400	0.06
440.2505798	0.35
441.2001038	0.08
442.3404541	0.19
443.3400574	0.06
447.0185242	0.04
448.5078125	0.06
451.3960876	0.21
459.0221252	0.23
460.1593933	1.19
462.3079224	0.08
464.0889587	0.04
478.2033997	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	493.1195
Annotation	4'-O-Galloylsucrose
Peak:m/z	Relative Intensity
161.0954590	2.97
165.3813324	0.05
169.0152283	100.00
178.8611603	0.42
211.2305908	0.34
213.0003662	0.06
223.0980835	0.16
267.8105164	0.12
271.2108765	0.06
277.1874390	0.58
283.1518860	0.24
291.4930420	0.07
297.2286987	0.32
301.1442871	0.94
307.3316345	0.11
313.1865540	3.33
323.2684631	0.31
329.2283020	0.08
331.1907043	2.38
332.2676086	0.09
341.3076782	0.11
347.4128723	0.05
355.3316040	0.47
359.3626099	0.20
364.2442627	0.33
381.8351746	0.21
384.2782898	0.10
385.1525574	0.19
401.0904236	0.31
420.8453979	0.36
433.3237915	1.36
434.1159668	0.21
435.6839600	0.27
447.0721741	8.00
447.7014160	0.30
449.4223328	0.19
456.2086487	0.26
457.1214905	1.36
458.2461243	0.24
461.0391541	0.07
469.7189636	0.14
473.5907593	0.36
475.1520081	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	318.2994
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
90.50923157	0.05
107.1190033	0.02
109.1083221	0.05
120.8574219	0.30
122.972168	0.06
125.0396042	0.08
127.000267	0.02
134.934845	0.31
136.9429626	0.30
142.9940491	0.02
148.9373169	0.03
151.0591431	0.06
169.3836823	0.12
171.2930908	0.10
178.7133026	0.13
211.1954041	0.05
225.4414673	0.03
234.1389465	0.11
235.2960205	0.04
239.0747375	0.18
240.2585449	0.06
244.0184021	0.04
247.3192444	0.33
251.0961914	0.06
252.352478	0.55
253.2453003	0.41
256.4581909	0.05
264.3397217	0.78
265.1811523	2.67
270.4740601	0.97
282.2875977	36.12
282.9099121	0.49
283.6252441	0.07
300.2903748	100.00
300.9186401	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.2781
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
140.2011719	0.50
168.9534302	0.26
196.1598053	0.07
214.2308960	1.65
225.3164520	0.05
248.2891846	0.25
255.2628479	100.00
255.9697876	0.08
272.3201904	0.15
300.2449951	0.08
301.1997986	0.29
303.1164856	0.18
326.3384399	0.52
332.1215820	0.30
352.0877075	0.38
353.4177246	0.09
356.0725708	0.15
361.0564575	0.08
365.3790283	0.85
372.8670959	0.09
378.1426697	0.08
380.0721130	0.21
387.5108337	0.18
389.5207520	0.28
390.6073608	0.09
396.3805237	0.11
406.4057922	0.66
407.2634277	0.26
408.3865051	0.92
409.0407410	0.18
414.4617615	0.57
415.5258484	0.24
416.4406433	0.11
425.5845032	0.26
434.1289368	1.42
435.6768494	0.21
436.5852661	0.13
437.3940735	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	680.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
203.9929352	0.33
205.2747955	0.16
206.1113129	0.46
208.0944977	0.11
210.1649170	0.07
216.0938416	0.13
222.1311035	0.19
228.1633759	0.58
240.2202454	0.23
251.8807068	0.10
258.2469788	0.29
270.0383911	0.68
271.0021362	0.09
288.1468506	4.74
289.2178345	0.40
303.3675537	0.21
306.2008057	6.57
307.1989746	0.86
321.1228638	0.83
324.1487427	100.00
325.1546631	11.97
338.7410583	1.51
339.4328613	0.17
340.0982056	0.16
342.3392944	0.16
356.5482788	0.06
398.2153320	0.04
446.4403687	0.05
483.2021484	0.04
486.1575317	0.09
500.3781128	0.97
504.2292480	0.11
518.2078247	11.03
519.1390381	1.86
536.9653931	0.11
543.3248291	0.08
560.0653687	0.08
573.5805664	0.11
595.2408447	0.28
597.1505737	0.24
606.3859253	0.26
609.2554321	0.23
616.7053833	0.10
619.2457886	0.15
626.0871582	0.07
635.7431030	0.65
637.2745972	0.55
643.1000366	0.24
644.4594727	0.09
653.4075928	0.14
657.7138062	0.07
662.1996460	0.68
662.9102783	0.06
663.5239868	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	939.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
276.9429932	0.05
293.3074951	0.05
299.3045959	0.04
307.8971252	0.02
321.0879822	0.04
325.2791138	0.01
341.2431030	0.15
343.3862305	0.05
359.4948730	0.05
367.2502441	0.02
375.1747437	0.02
385.2588196	0.03
387.3047485	0.25
401.4553223	0.06
403.1427612	0.13
419.1462402	0.06
421.2238770	0.02
429.0859375	0.19
430.0955811	0.03
431.1946411	0.41
447.1857910	1.20
465.3019409	0.39
511.2001343	0.40
527.3157349	0.07
537.1198730	0.08
555.1843262	0.16
573.1893921	0.28
581.2468872	0.01
599.2505493	2.59
600.2189331	0.13
601.2130127	1.57
617.2738647	6.22
635.2295532	0.43
725.2879639	1.06
751.1575928	0.02
765.4423218	0.08
769.1257935	100.00
770.1721802	0.73
771.2014771	0.08
787.2355957	11.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2249
Annotation	Lactulose
Peak:m/z	Relative Intensity
248.8150482	0.05
262.7218933	0.06
281.2852783	0.06
341.1517029	100.00
341.7587891	0.16
551.2158203	0.08
551.9960938	0.06
637.0370483	0.09
664.2397461	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	491.1921
Annotation	Schizandriside
Peak:m/z	Relative Intensity
139.8898773	0.05
143.0882568	0.03
147.0663757	0.02
151.1904907	0.06
158.8692017	0.05
160.0953064	0.10
161.1690521	0.13
162.6962280	0.20
169.8929749	0.14
180.1082153	0.19
188.8979797	0.20
194.8730164	0.03
197.0972595	0.03
212.8705750	0.10
224.2508087	0.05
226.2353516	0.03
235.1770935	0.08
236.9960175	0.14
241.1344299	1.42
242.2093506	0.10
253.2745972	0.07
254.9849548	0.14
256.2205505	0.14
257.1068115	0.06
264.0909729	0.24
265.2263184	0.14
269.1943665	0.60
270.2349243	0.57
271.2627869	0.02
279.3366699	0.38
281.1713867	0.60
282.2092590	1.12
283.2906799	1.57
284.3679504	0.54
285.1797791	0.21
295.6115112	0.66
296.6449280	0.83
297.3029785	1.05
298.3932495	0.28
299.2205811	0.25
300.1224365	1.78
301.1464539	1.27
302.1765442	0.03
310.1899414	0.25
311.2544861	1.68
314.2030640	9.98
315.1749573	14.94
316.2655640	1.49
317.2431641	0.30
319.3008423	0.02
325.1748657	0.02
329.2059326	60.63
330.2865295	1.65
331.3156738	0.33
339.2733765	0.04
341.2185669	0.09
341.9456787	0.13
343.1062927	0.59
354.3426208	0.16
355.0057373	0.17
356.1270752	0.44
357.3489380	0.63
358.5195312	0.03
359.2655640	0.36
361.1021118	0.02
363.3588257	0.08
367.2566528	0.04
368.1049500	0.10
369.2144775	0.07
371.4196777	0.19
372.9979553	0.35
381.0026245	0.14
382.3360901	0.24
383.2441406	0.10
384.0547485	0.10
385.8385925	0.20
387.1511230	0.24
388.1492920	0.18
397.0679016	0.06
398.4659119	0.12
399.3407898	0.39
402.1690369	0.16
405.9356995	0.42
406.7011414	0.51
410.4070435	0.18
415.0445557	0.51
416.1848145	0.16
419.2978210	0.03
425.5615540	0.06
426.8081665	0.03
427.4998474	0.20
428.3783875	0.11
431.3515625	0.35
440.4344482	0.06
445.2865295	0.07
446.1080322	0.06
447.2831726	0.50
448.2709656	0.18
455.0729675	0.02
456.1409607	0.06
458.3246765	0.76
459.3248596	2.55
460.3496399	0.37
461.2673950	0.71
463.8041077	0.09
473.3486938	1.31
474.1013489	0.15
476.2620544	100.00
477.3675232	5.80
481.5888977	1.27
482.7751770	0.07
490.7608337	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
93.11473846	0.12
94.86471558	0.20
108.8497009	0.44
117.0914154	0.17
121.1496887	0.39
123.5992813	0.18
125.1655731	0.81
127.1243286	0.10
128.8109131	0.34
133.0740662	0.51
135.1239777	0.50
141.0346375	0.31
141.8937988	0.89
143.0740356	0.33
144.969574	0.09
151.2117157	0.25
152.9259033	0.39
155.0798645	1.57
156.8264465	0.37
159.0276489	0.41
163.3136139	0.26
167.021698	0.12
168.9091492	0.78
171.0811462	0.09
180.1701355	0.23
181.1517334	1.77
183.0315552	1.12
183.859375	0.26
184.8576813	0.37
189.2968903	0.79
194.9665222	1.45
197.0582275	2.37
204.9443359	0.33
207.198761	1.31
211.1217651	2.27
213.0084839	0.87
215.0799255	1.29
219.1182251	0.12
221.1153259	0.07
223.0883484	0.73
225.2917175	2.45
227.1319885	0.71
229.1752014	0.59
232.8962708	0.18
235.069397	0.22
236.9971313	0.61
239.0852661	1.41
240.6004028	0.53
243.3019409	0.12
244.9132385	0.49
247.1014709	1.37
249.1732178	0.33
251.11203	1.42
253.1236877	6.21
255.0130005	0.13
257.2392273	0.65
262.2425842	0.57
263.1927185	0.42
265.2615051	2.01
265.9510193	0.57
267.359314	1.17
268.166748	0.37
269.2728882	0.70
270.1494751	1.22
271.4409485	0.24
274.1303101	0.10
275.2063904	9.78
282.3729858	0.13
283.0852356	1.27
288.0011292	0.15
289.6758423	2.15
291.0620117	0.58
293.2019653	100.00
294.3227539	0.33
301.8291016	0.66
310.5427856	0.52
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
142.8122864	0.48
157.0858459	0.34
160.5419617	0.26
167.329895	0.90
168.8464661	0.38
171.1859741	1.34
171.9901428	0.73
183.1434479	0.85
185.2044373	1.42
187.1248932	0.38
197.1060791	0.21
199.1476135	0.56
201.048645	2.50
203.2703857	0.14
211.0383911	0.42
213.1790466	0.83
215.0322571	0.32
222.8603516	0.86
227.1368103	1.94
229.0891418	3.92
237.1200867	0.53
238.8245239	0.29
241.3737488	0.92
243.16745	2.53
245.3825989	0.21
251.2507629	0.15
255.1007385	1.32
257.2561951	1.31
259.6558228	0.21
260.395813	0.29
261.5472412	0.46
263.188446	2.04
266.899231	1.28
269.2816162	0.64
270.1030273	0.39
271.0951538	1.96
272.8554077	0.21
275.3371887	0.67
279.4692993	0.75
283.4486084	0.33
285.0184631	2.54
287.3225098	1.26
289.1633911	1.16
295.2758789	0.80
297.1461487	1.15
299.3624878	2.46
301.5429993	1.14
311.261322	1.87
313.0613403	3.51
321.3530884	3.39
323.2624207	8.05
325.3478699	0.33
327.0624084	0.30
329.0239868	0.28
336.9245605	0.49
339.2462158	100.00
341.3337708	20.16
359.1703796	1.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	545.56
Annotation	Unknow
Peak:m/z	Relative Intensity
169.0361786	0.10
170.0373535	0.06
177.0737762	0.01
216.8429260	0.01
218.8598022	0.01
232.2683411	0.01
275.3896484	0.07
276.2578125	0.01
287.3007812	0.02
291.2901917	0.01
301.0584106	0.36
302.0860596	0.20
317.2028198	0.04
319.1435547	0.46
320.2053833	0.17
338.2626953	0.01
361.7493286	0.02
366.2926636	0.02
371.3038940	0.03
383.6079102	0.15
389.2410889	0.01
393.3685303	0.36
394.0330200	0.01
413.1988525	0.02
429.0698853	0.02
438.3443604	0.02
447.2139282	0.03
448.3079834	0.04
459.8828735	0.51
460.9877930	0.09
467.3855591	0.02
469.2637329	100.00
470.1675415	2.64
471.1834717	0.09
472.2042236	0.10
474.1425171	0.02
475.8637085	0.05
478.0177612	0.03
478.8458252	0.02
482.7438354	0.04
496.2164917	0.03
497.2861328	0.03
498.8671265	0.02
501.5386353	0.02
521.9514160	0.02
522.6985474	0.40
523.3314819	0.07
531.7308960	0.02
535.7994995	0.56
536.4589844	0.35
537.3240356	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
93.18678284	0.83
96.75032806	0.74
100.9462891	0.21
107.0641174	0.70
108.9952164	0.27
109.9007416	0.16
121.0082703	0.81
123.0564041	0.18
124.9342957	0.11
127.1408234	0.62
129.0661774	0.83
130.8628387	0.14
132.9003448	0.15
134.9190674	1.05
137.1510468	0.52
138.9415588	1.00
143.0797424	0.56
149.13797	1.02
151.2184143	0.18
153.3010559	0.55
154.0356445	0.26
154.97995	0.26
156.9965973	0.26
163.1444092	0.11
164.9902954	0.24
167.0218201	1.07
168.9755096	0.78
170.6011963	0.07
172.8073273	0.40
175.0962219	0.21
177.2165527	0.27
178.9919281	0.42
181.0596313	1.27
183.0458984	0.62
186.1834869	0.16
191.2338562	0.15
195.1083069	2.02
197.0319366	1.77
201.005661	0.50
203.2731018	0.32
207.1510925	0.20
208.3048401	0.18
211.0802917	2.36
213.0646973	0.76
217.2449646	0.56
219.2075806	1.80
219.8960876	0.10
220.9991455	0.40
223.1100769	1.79
225.143219	3.13
227.081543	0.41
228.9906006	0.16
233.2259521	0.62
235.2629089	1.21
237.1882324	2.52
239.2947998	3.58
240.3240662	0.18
245.2185974	0.17
247.0447998	0.19
249.1589661	1.40
251.2504272	1.67
252.167572	0.74
253.2037964	4.50
255.0412292	0.67
257.4998474	0.67
261.2326965	0.43
263.2893066	0.19
263.9543152	0.26
265.2909546	2.86
267.2365112	1.37
270.0141602	1.65
275.2445984	7.78
282.1088257	0.58
283.1991577	4.10
293.217804	100.00
294.2350464	1.88
297.1412354	0.22
302.3971863	0.72
310.4386597	0.98
311.2636108	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	219.1389
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
70.96270752	0.20
74.77882385	0.57
83.02921295	0.20
85.07939148	0.08
88.12224579	0.08
92.94569397	0.17
94.80340576	0.23
95.77604675	0.26
96.98083496	0.25
99.02601624	0.12
106.9966278	0.46
108.8900146	0.11
110.1381531	0.82
111.0268402	5.07
112.8100281	0.06
116.6279755	0.05
121.26474	0.07
123.0720673	0.68
125.0619965	3.06
128.9242554	0.18
131.016098	0.38
133.0063324	0.21
134.0296631	0.07
135.0513458	0.42
135.9998627	0.11
137.0948944	2.24
138.0193024	1.52
139.098465	0.28
144.8595886	0.04
147.0127258	1.22
148.0690765	0.53
148.960968	0.92
151.2022247	0.50
157.260376	0.12
159.2023926	0.48
160.053299	0.14
161.1088867	5.07
163.0088348	11.23
164.1000061	2.94
165.1047363	0.13
171.2140656	0.16
173.154068	0.38
175.1279907	3.14
176.1328278	2.16
177.2280731	3.56
178.2060089	0.67
183.0391998	0.81
184.0821228	0.23
185.1685944	0.08
186.1891479	5.34
187.0300446	0.40
188.043808	0.14
189.1524506	5.58
189.8721466	0.44
191.1486969	1.22
199.0803986	0.05
201.1380768	100.00
202.0681458	0.93
203.3210449	3.75
204.1885681	48.20
216.2015381	0.17
219.2367249	2.23
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
110.8951721	0.23
112.8992996	0.16
114.8960419	0.45
116.9431305	0.28
122.999939	0.77
126.8451767	0.13
129.0882874	1.26
132.8920593	0.45
134.9767761	0.99
136.91922	0.63
141.0205383	0.14
143.0761414	1.28
146.8434753	0.44
149.2067108	0.45
151.1635132	0.81
153.0799561	0.81
155.0640259	1.30
157.0201721	0.90
160.9331818	0.37
163.0524445	0.11
164.9745178	0.67
166.1894531	0.27
167.2148132	0.57
171.196106	0.44
172.9966431	1.81
175.1737061	0.19
177.1335907	0.16
181.0203552	0.74
182.8983612	1.94
185.0137634	0.72
187.0499268	0.76
191.0147705	1.32
193.0895081	0.85
194.9902649	0.71
197.2316284	2.17
199.0581055	0.48
201.2631989	0.21
205.2282104	0.46
209.0692749	1.75
211.1341248	5.27
213.1272278	2.22
215.3180542	0.72
217.1192322	0.09
220.0381775	0.55
221.4265137	0.57
222.0660706	0.19
223.2041931	0.30
225.1254883	2.37
227.0217285	0.09
229.1983337	0.85
233.0206909	0.13
235.4817505	0.28
237.2398987	0.44
238.1526794	0.64
239.0157166	1.72
241.4178162	1.91
245.0330505	0.36
247.0115356	2.13
251.1781616	1.31
253.161499	9.06
254.3623657	0.27
255.1612549	0.29
257.1769409	1.08
259.1177979	0.24
264.8548584	0.61
265.4987793	1.08
266.6682129	0.96
267.3139648	0.17
269.2848816	2.77
269.96521	1.53
275.2355042	10.21
276.2876587	0.29
279.9298096	0.10
281.3205261	0.38
283.1065063	3.60
287.95578	0.37
293.2158203	100.00
293.842041	0.50
300.8930969	0.86
301.5606689	0.41
302.275177	0.89
310.5080872	0.57
311.3322144	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
95.15588379	0.08
111.0240631	2.63
121.1057739	0.10
125.0054779	0.13
127.1142273	0.03
135.0297394	0.06
136.0888824	0.07
137.116394	0.11
138.2334442	0.03
138.9221497	0.16
148.3307037	0.10
151.1260986	0.36
151.9609833	0.51
153.0198517	100.00
161.015976	1.37
163.1948853	0.09
164.2731476	0.11
165.080368	0.08
166.7000885	0.12
167.9415436	0.28
175.2249603	0.29
179.1262665	0.38
184.9277191	0.04
186.1230774	0.41
188.2126007	0.06
191.1138458	0.51
201.1759644	5.39
203.2412109	0.44
204.1793976	4.52
216.9561462	0.28
219.1427612	43.69
221.1491089	0.29
225.932724	0.18
227.0260315	0.07
230.1086578	0.27
235.1632233	0.18
245.1351929	2.18
247.2434082	0.14
247.9797974	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	478.294
Annotation	PC(15:1(9Z)/0:0)
Peak:m/z	Relative Intensity
152.9902802	0.08
168.1083679	0.12
194.0787811	0.03
209.9583435	0.05
224.1041870	2.57
226.9607849	0.07
237.2222900	0.07
242.1338959	1.65
253.2572632	100.00
253.8603516	0.50
267.4032898	0.04
279.4541321	0.05
280.4907532	0.04
281.4317932	0.13
308.9790039	0.24
323.3359070	0.03
329.3075562	0.02
337.2119141	0.22
340.8265991	0.03
363.3385010	0.02
373.1186829	0.09
389.4565735	0.06
393.0381470	0.03
403.9901123	0.05
410.1389160	0.05
410.9839172	0.06
414.4464722	0.28
415.6061707	0.06
416.3792419	0.10
417.0566406	0.03
432.0550842	0.05
433.3780823	0.17
434.6406555	0.30
436.2292175	0.07
440.2653198	0.14
442.3434448	0.24
445.8670959	0.09
451.4089661	0.08
454.9806824	0.02
459.3469238	0.43
460.1708069	0.22
462.7977600	0.07
477.8237610	0.05
478.4602661	0.10
479.1989441	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	343.0667
Annotation	Theogallin
Peak:m/z	Relative Intensity
101.9869843	0.06
110.9302979	0.09
113.0930557	0.02
125.0161438	0.61
126.9630661	0.04
143.0072937	0.02
155.0359039	0.07
169.0211792	9.10
173.0643616	0.08
191.0195923	100.00
217.3524780	0.03
237.2225037	0.02
240.8740234	0.01
255.2194214	0.01
298.8134155	0.02
299.4318848	0.06
325.1322937	0.11
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
112.7549057	0.05
126.9065933	0.04
143.1281738	0.03
178.9998169	0.48
197.3797913	0.03
198.0170746	0.04
199.0009155	0.56
215.0922546	1.53
216.0583038	1.65
217.1358490	9.43
323.3006592	0.02
341.1722107	100.00
342.1549072	26.27
343.2597046	10.07
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
103.8729248	0.94
128.9727631	3.53
130.1882935	0.18
147.7010651	0.16
150.9633331	25.09
152.0369568	20.96
153.1473541	1.08
167.9785767	1.50
170.1223755	1.31
179.1464233	0.79
181.227356	0.26
184.026123	0.50
185.5812836	1.85
186.2059937	0.23
197.1240387	0.17
207.1086121	0.64
211.0132599	0.21
212.3397369	0.49
225.0197296	2.22
226.1816559	2.17
238.5693512	4.00
239.171936	5.96
240.0725861	2.33
251.084671	1.26
253.0912323	100.00
254.1325226	20.29
255.1927948	0.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	736.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
207.1704254	0.16
214.9550934	0.11
226.0908051	0.30
227.8703156	0.10
229.1195679	0.10
229.8423462	0.23
231.2626343	0.18
232.0569458	0.35
232.8561096	0.21
256.2243042	0.15
274.1490479	1.38
275.1817017	0.47
291.9012756	0.73
334.0145569	0.28
334.9148254	0.13
352.0826416	0.33
374.1633911	0.02
376.0993652	0.39
392.3444214	0.19
393.1471558	0.41
394.1889038	3.09
395.1188354	1.80
396.2175293	0.03
412.2002563	2.91
421.1440430	0.10
436.2514648	0.09
452.2432251	1.43
453.0091553	0.67
454.1204224	100.00
466.1812744	0.77
472.3594360	0.11
478.0706177	0.14
482.4021606	0.11
484.0955811	3.18
495.1081543	0.05
496.1781616	1.15
500.3884277	0.11
508.1948242	1.30
509.3620605	0.14
514.2276001	4.17
526.1586914	0.21
538.1838989	0.98
543.5435791	0.12
555.2684937	1.59
556.1840210	33.09
557.2306519	0.17
574.1625366	68.63
585.2455444	0.04
616.4250488	0.08
627.5542603	0.10
634.2930298	0.09
645.0687866	0.06
646.5343628	0.04
675.6977539	0.08
717.3820190	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	478.29
Annotation	PC(15:1(9Z)/0:0)
Peak:m/z	Relative Intensity
140.0151520	0.03
152.8608093	0.16
196.0666962	1.44
214.0320435	1.10
226.0118866	0.01
229.1050568	0.02
253.2536621	0.03
261.4118042	0.04
281.3109741	100.00
281.9254150	0.20
399.5623169	0.07
404.3522034	0.01
417.4322205	0.31
442.3300171	0.14
459.4525146	0.05
460.4114380	0.11
461.1529541	0.06
461.8209534	0.02
END